#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3brw n VAL 79 N 0.00 0.00 -0.91 3.15 3.14 -1.26 -5.17 118.33 117.28 3brw n VAL 79 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3brw n VAL 79 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3brw n VAL 79 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3brw n LYS 80 N -0.13 -2.59 -4.10 1.45 4.81 -1.26 -5.06 118.16 111.28 3brw n LYS 80 Ca 0.00 1.90 -0.24 0.00 -0.87 0.00 0.00 58.31 59.10 3brw n LYS 80 Cb 0.00 -2.11 -0.05 0.00 0.02 0.00 0.00 35.03 32.89 3brw n LYS 80 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3brw s LEU 81 N -2.19 3.79 -0.69 3.14 1.98 -1.26 -5.08 118.68 118.37 3brw s LEU 81 Ca 0.00 -0.20 0.01 0.00 -2.89 0.00 0.00 54.13 51.05 3brw s LEU 81 Cb 0.00 -2.36 0.38 0.00 0.66 0.00 0.00 46.19 44.87 3brw s LEU 81 CO 0.00 0.02 1.68 -0.62 -1.89 0.00 0.00 176.35 175.54 3brw n GLU 82 N -0.75 3.01 -2.43 1.98 1.02 -1.26 -5.01 120.64 117.20 3brw n GLU 82 Ca -0.08 -3.89 -0.24 0.00 -0.02 0.00 0.00 57.16 52.92 3brw n GLU 82 Cb 0.56 -2.26 0.10 0.00 -0.02 0.00 0.00 31.44 29.82 3brw n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3brw s ASN 84 N -4.66 6.32 0.25 0.00 3.84 -1.26 -4.91 114.94 114.53 3brw s ASN 84 Ca 0.65 1.64 -0.01 0.00 0.21 0.00 0.00 52.86 55.35 3brw s ASN 84 Cb -0.07 -2.53 0.32 0.00 -0.55 0.00 0.00 41.25 38.42 3brw s ASN 84 CO 0.45 -1.30 1.70 1.55 -2.79 0.00 0.00 177.10 176.70 3brw h PRO 85 N 10.97 0.65 -0.29 0.43 0.13 -1.98 -3.23 132.00 138.69 3brw h PRO 85 Ca -0.34 -0.23 0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3brw h PRO 85 Cb 1.16 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3brw h PRO 85 CO 1.00 0.80 0.20 1.79 -0.23 0.00 0.00 178.00 181.55 3brw h THR 86 N 0.58 0.95 -0.59 1.56 1.35 -1.91 -3.00 112.91 111.85 3brw h THR 86 Ca 0.09 -0.06 0.11 0.00 -0.55 0.00 0.00 66.41 66.00 3brw h THR 86 Cb 0.64 0.75 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 3brw h THR 86 CO 0.05 0.03 0.40 0.00 -0.25 0.00 0.00 175.52 175.75 3brw h ALA 87 N 1.85 2.10 -0.24 6.62 0.00 -1.80 -2.56 119.26 125.22 3brw h ALA 87 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3brw h ALA 87 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3brw h ALA 87 CO -0.02 -0.24 0.00 2.89 0.00 0.00 0.00 179.25 181.88 3brw n ARG 88 N -4.46 2.81 -0.01 0.00 1.85 -1.13 -4.11 116.66 111.60 3brw n ARG 88 Ca 0.10 -2.10 -0.13 0.00 -1.00 0.00 0.00 57.85 54.72 3brw n ARG 88 Cb 0.42 -1.33 -0.10 0.00 -1.05 0.00 0.00 32.46 30.41 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 1.43 1.37 -0.29 8.89 2.04 -1.55 -3.15 117.51 126.25 3brw h ILE 89 Ca 0.00 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.82 3brw h ILE 89 Cb 0.82 2.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.91 3brw h ILE 89 CO 0.04 0.29 -0.40 0.22 0.00 0.00 0.00 178.15 178.30 3brw h TYR 90 N -0.42 -1.15 -0.82 1.37 5.03 -1.82 -0.07 116.97 119.09 3brw h TYR 90 Ca 0.00 0.06 0.18 0.00 2.58 0.00 0.00 58.73 61.55 3brw h TYR 90 Cb 0.48 0.54 -0.11 0.00 1.55 0.00 0.00 36.73 39.19 3brw h TYR 90 CO 0.09 -0.44 0.33 -0.09 -1.32 0.00 0.00 178.16 176.72 3brw h ARG 91 N -0.38 0.40 0.10 1.82 9.65 -1.88 0.22 114.38 124.31 3brw h ARG 91 Ca 0.12 -0.02 -0.29 0.00 -1.10 0.00 0.00 59.98 58.69 3brw h ARG 91 Cb 0.59 -0.09 0.02 0.00 -1.39 0.00 0.00 29.97 29.10 3brw h ARG 91 CO -0.49 0.26 -1.20 -0.22 2.80 0.00 0.00 179.97 181.13 3brw h LYS 92 N 0.41 0.60 0.00 0.20 3.64 -1.13 -3.36 116.57 116.92 3brw h LYS 92 Ca 0.48 -0.77 -0.20 0.00 -1.27 0.00 0.00 60.65 58.89 3brw h LYS 92 Cb 0.82 0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 3brw h LYS 92 CO -0.47 1.34 -1.74 0.72 -2.27 0.00 0.00 179.45 177.03 3brw n HIS 93 N -3.78 0.00 -0.13 1.91 8.25 -0.18 -4.83 115.22 116.47 3brw n HIS 93 Ca -0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 3brw n HIS 93 Cb 0.96 -0.53 -0.10 0.00 1.12 0.00 0.00 29.99 31.44 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 -2.40 0.18 -1.73 4.41 3.01 0.69 -4.81 117.46 116.82 3brw n PHE 94 Ca -0.18 0.08 -0.42 0.00 1.01 0.00 0.00 57.45 57.94 3brw n PHE 94 Cb 0.85 -1.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 3brw n PHE 94 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3brw n LEU 95 N -4.26 4.06 0.00 4.37 7.94 -0.71 -1.94 117.00 126.46 3brw n LEU 95 Ca -0.51 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 3brw n LEU 95 Cb 0.86 -1.55 0.00 0.00 0.53 0.00 0.00 43.42 43.26 3brw n LEU 95 CO 0.06 -0.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 3brw n GLY 96 N 1.80 2.79 3.68 -3.96 0.00 -1.26 -4.92 105.19 103.32 3brw n GLY 96 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.04 2.13 -0.36 1.61 1.02 -0.82 -5.07 119.74 118.21 3brw s LYS 97 Ca 0.00 -1.84 -0.28 0.00 0.02 0.00 0.00 55.97 53.87 3brw s LYS 97 Cb 0.00 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.37 3brw s LYS 97 CO 0.00 0.00 1.90 -1.21 -0.92 0.00 0.00 175.35 175.12 3brw s GLU 98 N -3.80 3.14 0.08 1.68 2.02 -1.26 -4.95 118.70 115.62 3brw s GLU 98 Ca 0.37 1.41 0.02 0.00 0.02 0.00 0.00 54.97 56.79 3brw s GLU 98 Cb 0.03 -4.27 -0.01 0.00 0.10 0.00 0.00 34.13 29.99 3brw s GLU 98 CO 0.21 -2.09 0.07 -2.39 0.02 0.00 0.00 175.26 171.08 3brw n HIS 99 N 11.13 -0.17 -3.87 1.61 1.44 -1.26 -4.52 115.22 119.57 3brw n HIS 99 Ca 0.24 -0.68 -0.12 0.00 -2.01 0.00 0.00 57.72 55.15 3brw n HIS 99 Cb 0.48 0.06 -0.14 0.00 0.12 0.00 0.00 29.99 30.52 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 -2.29 -0.02 0.04 -1.40 0.40 -0.01 -5.01 117.98 109.69 3brw s PHE 100 Ca 0.09 0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.55 3brw s PHE 100 Cb 0.00 -0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.51 3brw s PHE 100 CO 0.07 -0.03 -0.23 -0.80 0.70 0.00 0.00 175.22 174.93 3brw s ASN 101 N -0.08 2.75 0.01 1.36 0.01 -1.26 -0.34 114.94 117.38 3brw s ASN 101 Ca -0.01 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 3brw s ASN 101 Cb -0.01 -0.24 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 3brw s ASN 101 CO 0.00 0.20 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.44 3brw s TYR 102 N -0.80 0.37 0.22 2.20 1.51 0.14 -1.56 117.35 119.43 3brw s TYR 102 Ca 0.09 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.04 3brw s TYR 102 Cb -0.09 -0.23 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 3brw s TYR 102 CO 0.02 -0.04 0.02 1.52 -1.11 0.00 0.00 175.55 175.96 3brw s TYR 103 N -0.49 2.80 -0.17 2.71 -0.85 -0.38 -0.16 117.35 120.82 3brw s TYR 103 Ca -0.03 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.05 3brw s TYR 103 Cb -0.04 -1.30 0.13 0.00 0.38 0.00 0.00 41.96 41.13 3brw s TYR 103 CO -0.00 0.56 1.00 0.45 -1.52 0.00 0.00 175.55 176.04 3brw s SER 104 N -3.37 -0.38 -0.41 -0.18 0.15 -1.01 -0.23 113.70 108.27 3brw s SER 104 Ca 0.30 0.44 -0.09 0.00 0.70 0.00 0.00 55.95 57.30 3brw s SER 104 Cb -0.08 0.35 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 3brw s SER 104 CO 0.20 -0.33 0.25 -0.22 1.20 0.00 0.00 173.24 174.34 3brw s LEU 105 N -1.00 5.11 -0.03 3.45 2.96 -1.26 -1.73 118.68 126.18 3brw s LEU 105 Ca -0.01 -1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 52.14 3brw s LEU 105 Cb -0.01 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3brw s LEU 105 CO 0.01 -0.52 1.27 -0.62 -1.32 0.00 0.00 176.35 175.17 3brw s ASP 106 N 2.06 6.98 0.43 3.68 2.15 -0.38 -4.91 116.67 126.69 3brw s ASP 106 Ca 0.03 1.93 0.30 0.00 0.43 0.00 0.00 52.55 55.24 3brw s ASP 106 Cb -0.23 -2.56 1.36 0.00 -0.30 0.00 0.00 42.92 41.20 3brw s ASP 106 CO 0.03 -0.62 1.90 0.00 -0.17 0.00 0.00 175.17 176.30 3brw h THR 107 N 4.95 0.00 0.00 1.71 1.03 -1.83 -1.23 112.91 117.53 3brw h THR 107 Ca -0.36 -0.27 -0.12 0.00 -0.01 0.00 0.00 66.41 65.65 3brw h THR 107 Cb 1.17 1.10 -0.02 0.00 -1.07 0.00 0.00 68.15 69.33 3brw h THR 107 CO 0.88 0.00 -1.46 0.00 -0.01 0.00 0.00 175.52 174.94 3brw n ALA 108 N -1.93 1.83 0.79 0.00 0.00 -1.26 -4.74 120.51 115.20 3brw n ALA 108 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 53.10 3brw n ALA 108 Cb 0.21 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.65 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 -2.27 0.79 0.00 0.00 4.77 -1.21 -5.10 117.00 113.99 3brw n LEU 109 Ca -0.11 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3brw n LEU 109 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3brw n LEU 109 CO 0.14 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3brw n GLY 110 N 1.45 -0.35 3.78 -0.72 0.00 -0.47 -4.49 105.19 104.39 3brw n GLY 110 Ca 0.03 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 2.98 -0.04 1.61 3.76 -1.26 -1.24 115.29 121.10 3brw s HIS 111 Ca 0.00 1.57 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 3brw s HIS 111 Cb 0.00 -3.25 0.02 0.00 1.11 0.00 0.00 32.58 30.47 3brw s HIS 111 CO 0.00 -1.16 -0.02 -0.51 -0.85 0.00 0.00 174.74 172.20 3brw s LEU 112 N -3.08 1.19 -0.35 0.89 1.43 -0.71 -4.00 118.68 114.05 3brw s LEU 112 Ca 0.64 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 3brw s LEU 112 Cb -0.24 -0.33 0.10 0.00 0.03 0.00 0.00 46.19 45.75 3brw s LEU 112 CO 0.29 -0.09 0.08 -0.69 0.23 0.00 0.00 176.35 176.18 3brw s VAL 113 N 1.04 2.05 -0.06 -1.59 1.01 -0.97 -2.41 120.40 119.48 3brw s VAL 113 Ca -0.09 -2.28 -0.17 0.00 0.00 0.00 0.00 61.98 59.43 3brw s VAL 113 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3brw s VAL 113 CO -0.01 -0.64 0.46 0.12 0.00 0.00 0.00 175.10 175.04 3brw s PHE 114 N 0.90 3.62 -0.07 5.22 5.36 0.78 -1.51 117.98 132.28 3brw s PHE 114 Ca 0.11 0.97 0.04 0.00 -0.96 0.00 0.00 56.93 57.09 3brw s PHE 114 Cb -0.19 -2.46 -0.00 0.00 -0.34 0.00 0.00 43.02 40.02 3brw s PHE 114 CO -0.10 0.37 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.71 3brw s SER 115 N -0.12 2.55 0.06 6.13 0.01 0.86 0.24 113.70 123.43 3brw s SER 115 Ca 0.25 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3brw s SER 115 Cb -0.16 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 3brw s SER 115 CO 0.12 0.15 -0.09 -1.48 0.41 0.00 0.00 173.24 172.35 3brw s LEU 116 N 0.18 2.31 -0.00 2.44 0.05 0.54 -0.92 118.68 123.28 3brw s LEU 116 Ca -0.10 -0.65 -0.00 0.00 0.05 0.00 0.00 54.13 53.43 3brw s LEU 116 Cb -0.15 -0.24 -0.00 0.00 -2.05 0.00 0.00 46.19 43.75 3brw s LEU 116 CO 0.05 -0.21 0.01 -0.75 -0.55 0.00 0.00 176.35 174.89 3brw s LYS 117 N -2.01 0.03 -0.20 1.48 2.20 -0.33 -0.83 119.74 120.07 3brw s LYS 117 Ca -0.04 -0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3brw s LYS 117 Cb -0.07 0.01 -0.01 0.00 -1.51 0.00 0.00 37.83 36.24 3brw s LYS 117 CO 0.00 -0.00 -0.04 -0.47 -0.36 0.00 0.00 175.35 174.48 3brw s TYR 118 N -0.09 2.96 -0.03 4.03 6.14 -1.26 -1.19 117.35 127.91 3brw s TYR 118 Ca -0.01 -0.77 0.00 0.00 0.64 0.00 0.00 57.07 56.94 3brw s TYR 118 Cb -0.01 -2.07 0.03 0.00 0.42 0.00 0.00 41.96 40.33 3brw s TYR 118 CO -0.00 -0.42 -0.01 0.34 0.64 0.00 0.00 175.55 176.10 3brw s ASP 119 N 1.21 0.61 -0.30 4.32 -1.08 -1.14 -5.03 116.67 115.25 3brw s ASP 119 Ca 0.03 -0.05 -0.06 0.00 -0.52 0.00 0.00 52.55 51.95 3brw s ASP 119 Cb -0.14 -0.28 0.02 0.00 -1.46 0.00 0.00 42.92 41.06 3brw s ASP 119 CO -0.01 -0.10 0.07 -0.69 0.52 0.00 0.00 175.17 174.96 3brw s VAL 120 N 1.06 3.72 -0.19 1.11 1.01 -1.26 -2.00 120.40 123.84 3brw s VAL 120 Ca -0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3brw s VAL 120 Cb -0.14 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3brw s VAL 120 CO -0.01 0.01 -0.08 -0.63 0.00 0.00 0.00 175.10 174.38 3brw s ILE 121 N 1.43 3.13 0.00 2.22 -1.09 -1.23 -4.85 121.20 120.82 3brw s ILE 121 Ca 0.01 -0.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 3brw s ILE 121 Cb -0.18 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 3brw s ILE 121 CO 0.01 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 3brw n GLY 122 N 4.44 1.00 1.44 6.18 0.00 -1.26 -1.73 105.19 115.26 3brw n GLY 122 Ca -0.19 0.37 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 7.10 -0.85 -4.45 1.61 5.75 -1.26 -5.05 116.55 119.40 3brw n ASP 123 Ca 0.00 -2.05 -0.43 0.00 -0.01 0.00 0.00 54.79 52.30 3brw n ASP 123 Cb 0.00 0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 40.36 3brw n ASP 123 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3brw s GLN 124 N -0.08 3.19 -0.18 0.11 2.00 -0.71 -5.02 119.66 118.97 3brw s GLN 124 Ca 0.06 -1.03 -0.29 0.00 -2.00 0.00 0.00 55.36 52.09 3brw s GLN 124 Cb 0.14 -4.35 -0.04 0.00 0.80 0.00 0.00 33.01 29.55 3brw s GLN 124 CO -0.04 -1.79 1.68 -1.21 -0.50 0.00 0.00 175.29 173.43 3brw s GLU 125 N 3.72 3.84 0.51 1.67 2.02 -1.26 -3.56 118.70 125.64 3brw s GLU 125 Ca 0.23 1.83 0.04 0.00 0.02 0.00 0.00 54.97 57.09 3brw s GLU 125 Cb -0.16 -4.06 0.01 0.00 0.10 0.00 0.00 34.13 30.02 3brw s GLU 125 CO 0.06 -1.25 0.20 -3.38 0.02 0.00 0.00 175.26 170.92 3brw s HIS 126 N 5.17 1.84 -0.24 1.61 -3.43 -0.85 -2.19 115.29 117.21 3brw s HIS 126 Ca 0.75 -0.86 -0.03 0.00 -0.80 0.00 0.00 55.06 54.12 3brw s HIS 126 Cb -0.28 -1.79 0.13 0.00 -1.43 0.00 0.00 32.58 29.21 3brw s HIS 126 CO 0.30 -0.09 0.36 -1.17 -2.00 0.00 0.00 174.74 172.13 3brw s LEU 127 N -4.06 -0.56 -0.27 5.38 2.96 -1.09 -2.90 118.68 118.13 3brw s LEU 127 Ca 0.23 0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 3brw s LEU 127 Cb 0.00 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 3brw s LEU 127 CO 0.13 -0.30 0.39 -0.60 -1.32 0.00 0.00 176.35 174.66 3brw s ARG 128 N 2.52 4.02 0.05 1.98 3.52 -0.33 -3.43 118.95 127.27 3brw s ARG 128 Ca 0.11 0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.85 3brw s ARG 128 Cb -0.15 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 3brw s ARG 128 CO -0.15 -0.29 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.42 3brw s LEU 129 N 2.10 2.88 -0.23 -0.88 1.43 -0.19 -1.19 118.68 122.60 3brw s LEU 129 Ca 0.16 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 3brw s LEU 129 Cb -0.16 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.50 3brw s LEU 129 CO 0.10 0.24 0.37 -0.22 0.23 0.00 0.00 176.35 177.07 3brw s LEU 130 N -1.64 -0.59 -0.24 1.79 2.96 -0.10 -2.24 118.68 118.62 3brw s LEU 130 Ca 0.17 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 3brw s LEU 130 Cb -0.11 1.07 0.04 0.00 0.50 0.00 0.00 46.19 47.70 3brw s LEU 130 CO 0.08 -0.30 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.48 3brw s LEU 131 N 2.53 3.15 -0.30 -0.68 2.96 0.05 -0.10 118.68 126.29 3brw s LEU 131 Ca 0.11 -1.14 -0.26 0.00 -0.22 0.00 0.00 54.13 52.62 3brw s LEU 131 Cb -0.15 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3brw s LEU 131 CO -0.15 -0.14 0.92 -0.13 -1.32 0.00 0.00 176.35 175.53 3brw s ARG 132 N 1.19 4.04 0.36 1.98 0.52 -0.57 -1.21 118.95 125.26 3brw s ARG 132 Ca -0.04 0.85 0.08 0.00 -0.52 0.00 0.00 55.73 56.10 3brw s ARG 132 Cb -0.18 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.54 3brw s ARG 132 CO -0.06 -0.75 0.26 -0.08 0.02 0.00 0.00 175.30 174.69 3brw s THR 133 N 3.23 3.12 -2.00 0.02 -1.32 -1.23 -2.28 115.64 115.19 3brw s THR 133 Ca 0.38 -1.47 0.10 0.00 -1.21 0.00 0.00 61.69 59.50 3brw s THR 133 Cb -0.14 -3.07 0.29 0.00 -1.51 0.00 0.00 72.50 68.08 3brw s THR 133 CO 0.13 -0.13 1.05 2.29 -2.21 0.00 0.00 174.62 175.76 3brw n LYS 134 N -1.34 0.34 0.00 7.08 2.85 -1.26 -3.78 118.16 122.05 3brw n LYS 134 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3brw n LYS 134 Cb 0.61 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 3brw n LYS 134 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3brw n ARG 136 N -1.28 3.76 0.00 0.00 1.74 -1.25 -4.88 116.66 114.75 3brw n ARG 136 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3brw n ARG 136 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3brw n ARG 136 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3brw n THR 137 N 0.00 0.00 -3.32 0.55 5.66 -1.26 -3.50 114.28 112.40 3brw n THR 137 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 3brw n THR 137 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 3brw n THR 137 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3brw s TYR 138 N 0.00 3.66 0.08 1.09 2.02 -0.35 -4.88 117.35 118.96 3brw s TYR 138 Ca 0.00 1.13 0.04 0.00 -0.37 0.00 0.00 57.07 57.87 3brw s TYR 138 Cb 0.00 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 3brw s TYR 138 CO 0.00 0.46 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.76 3brw s HIS 139 N -1.38 0.98 -0.21 2.71 5.65 -1.26 -0.77 115.29 121.00 3brw s HIS 139 Ca 0.36 -0.58 -0.30 0.00 0.25 0.00 0.00 55.06 54.79 3brw s HIS 139 Cb -0.16 -0.55 0.16 0.00 -1.18 0.00 0.00 32.58 30.84 3brw s HIS 139 CO 0.19 -0.02 1.17 0.34 -0.65 0.00 0.00 174.74 175.77 3brw s ASP 140 N -2.06 -0.20 -0.27 9.88 2.15 -0.95 -5.01 116.67 120.21 3brw s ASP 140 Ca -0.00 0.19 0.12 0.00 0.43 0.00 0.00 52.55 53.29 3brw s ASP 140 Cb -0.06 0.17 0.47 0.00 -0.30 0.00 0.00 42.92 43.20 3brw s ASP 140 CO 0.00 -0.21 1.17 1.33 -0.17 0.00 0.00 175.17 177.30 3brw n VAL 141 N 0.51 2.12 -1.69 1.11 0.24 -1.26 -1.03 118.33 118.33 3brw n VAL 141 Ca -0.05 -3.74 -0.44 0.00 -2.04 0.00 0.00 64.34 58.07 3brw n VAL 141 Cb 0.58 -0.39 -0.04 0.00 -1.47 0.00 0.00 33.84 32.53 3brw n VAL 141 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3brw n ILE 142 N -0.68 0.20 -3.09 1.34 -5.35 -1.22 -4.39 119.36 106.18 3brw n ILE 142 Ca 0.32 -0.04 -0.39 0.00 -0.27 0.00 0.00 62.75 62.37 3brw n ILE 142 Cb 0.91 -1.90 -0.05 0.00 -1.74 0.00 0.00 39.64 36.86 3brw n ILE 142 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3brw s PRO 143 N 2.01 4.41 -0.05 6.28 0.04 -1.26 -2.68 135.00 143.75 3brw s PRO 143 Ca 0.81 0.88 0.01 0.00 0.04 0.00 0.00 61.00 62.75 3brw s PRO 143 Cb -0.57 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 30.63 3brw s PRO 143 CO 0.38 0.29 -0.07 -1.50 0.04 0.00 0.00 177.00 176.14 3brw s ILE 144 N 0.00 0.72 -0.06 0.56 1.10 -0.93 -4.95 121.20 117.64 3brw s ILE 144 Ca 0.35 -0.23 -0.02 0.00 -0.51 0.00 0.00 60.65 60.23 3brw s ILE 144 Cb -0.19 -0.70 0.04 0.00 0.15 0.00 0.00 42.46 41.76 3brw s ILE 144 CO 0.20 0.26 0.12 -0.94 -2.11 0.00 0.00 174.94 172.47 3brw s SER 145 N 0.80 0.19 0.00 4.50 1.04 -1.26 -4.41 113.70 114.57 3brw s SER 145 Ca -0.13 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.54 3brw s SER 145 Cb -0.15 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3brw s SER 145 CO 0.01 -0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.06 3brw h LEU 147 N 0.00 0.00 0.00 0.00 6.46 -2.03 -3.45 115.31 116.29 3brw h LEU 147 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3brw h LEU 147 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3brw h LEU 147 CO 0.00 0.00 0.00 0.41 -0.62 0.00 0.00 178.44 178.23 3brw n THR 148 N -4.37 0.00 -1.69 1.05 -1.04 -1.26 -4.79 114.28 102.18 3brw n THR 148 Ca 0.02 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.87 3brw n THR 148 Cb 0.31 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.75 3brw n THR 148 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3brw s GLU 149 N 0.00 1.81 -0.00 -2.82 0.41 -1.26 -4.92 118.70 111.92 3brw s GLU 149 Ca 0.00 0.26 -0.33 0.00 -0.41 0.00 0.00 54.97 54.48 3brw s GLU 149 Cb 0.00 -4.86 -0.12 0.00 -1.78 0.00 0.00 34.13 27.37 3brw s GLU 149 CO 0.00 -4.24 1.84 1.19 -0.49 0.00 0.00 175.26 173.55 3brw n PHE 150 N 17.60 2.38 -1.80 1.61 3.72 -1.26 -4.94 117.46 134.76 3brw n PHE 150 Ca 0.45 -0.02 -0.38 0.00 -0.05 0.00 0.00 57.45 57.45 3brw n PHE 150 Cb 0.44 -2.67 0.05 0.00 -0.94 0.00 0.00 39.48 36.36 3brw n PHE 150 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3brw s PRO 151 N 3.42 2.93 0.67 -1.08 0.04 -1.26 -4.98 135.00 134.73 3brw s PRO 151 Ca 0.89 2.13 -0.13 0.00 0.04 0.00 0.00 61.00 63.92 3brw s PRO 151 Cb -0.63 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 31.82 3brw s PRO 151 CO 0.46 -1.32 1.07 0.54 0.04 0.00 0.00 177.00 177.80 3brw s ASN 152 N -1.17 5.31 0.31 6.66 2.20 -1.26 -4.72 114.94 122.28 3brw s ASN 152 Ca 0.76 1.79 0.08 0.00 -0.94 0.00 0.00 52.86 54.55 3brw s ASN 152 Cb -0.38 -2.52 0.89 0.00 -2.00 0.00 0.00 41.25 37.24 3brw s ASN 152 CO 0.43 -1.49 1.67 1.62 -2.94 0.00 0.00 177.10 176.39 3brw h VAL 153 N -0.26 0.35 -0.22 3.54 3.04 -1.99 0.94 116.25 121.65 3brw h VAL 153 Ca -0.45 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.11 3brw h VAL 153 Cb 1.22 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 3brw h VAL 153 CO 0.56 0.06 0.07 0.58 -1.01 0.00 0.00 177.57 177.82 3brw h VAL 154 N 0.32 1.19 -0.91 1.51 2.07 -1.93 -1.63 116.25 116.87 3brw h VAL 154 Ca 0.64 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3brw h VAL 154 Cb 1.36 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3brw h VAL 154 CO -0.60 0.19 0.59 1.56 0.02 0.00 0.00 177.57 179.32 3brw h GLN 155 N 0.19 1.10 -0.65 1.57 4.20 -1.26 -1.78 115.11 118.48 3brw h GLN 155 Ca 0.07 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3brw h GLN 155 Cb 0.23 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3brw h GLN 155 CO -0.00 0.73 0.17 0.52 -0.67 0.00 0.00 178.83 179.57 3brw h MET 156 N 1.14 1.03 -0.63 1.46 2.86 -0.82 -1.98 114.93 117.98 3brw h MET 156 Ca 0.37 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 3brw h MET 156 Cb 0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 3brw h MET 156 CO -0.12 0.92 0.05 0.00 1.06 0.00 0.00 176.91 178.82 3brw h ALA 157 N 1.06 0.84 0.00 6.32 0.00 -1.04 -2.56 119.26 123.87 3brw h ALA 157 Ca 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3brw h ALA 157 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3brw h ALA 157 CO 0.00 0.65 -0.02 0.87 0.00 0.00 0.00 179.25 180.75 3brw h LYS 158 N 0.98 0.00 -0.46 0.00 1.57 -1.01 0.73 116.57 118.39 3brw h LYS 158 Ca 0.19 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3brw h LYS 158 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3brw h LYS 158 CO 0.02 0.02 -0.07 -0.07 -0.57 0.00 0.00 179.45 178.78 3brw h LEU 159 N 0.00 0.86 0.00 2.94 3.38 -0.94 -3.08 115.31 118.47 3brw h LEU 159 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3brw h LEU 159 Cb 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3brw h LEU 159 CO 0.00 1.00 -0.90 0.55 0.09 0.00 0.00 178.44 179.18 3brw n VAL 160 N -4.30 0.49 -3.15 1.22 3.14 -0.80 -4.82 118.33 110.11 3brw n VAL 160 Ca -0.00 -0.43 0.04 0.00 -2.96 0.00 0.00 64.34 60.99 3brw n VAL 160 Cb 0.36 -0.21 -0.01 0.00 -1.06 0.00 0.00 33.84 32.92 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 8.00 0.00 0.00 0.00 9.09 -1.79 -2.91 114.58 126.98 3brw h GLU 162 Ca -0.15 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.24 3brw h GLU 162 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 3brw h GLU 162 CO 0.22 0.00 -0.07 -0.44 0.05 0.00 0.00 179.01 178.77 3brw h ASP 163 N 0.00 0.00 -2.53 3.06 3.32 -1.95 -3.43 116.42 114.90 3brw h ASP 163 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3brw h ASP 163 Cb 0.67 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.25 3brw h ASP 163 CO 0.00 0.07 1.12 -0.69 -1.72 0.00 0.00 179.24 178.02 3brw s VAL 164 N -4.55 2.59 -0.38 -1.35 1.01 -1.10 -4.97 120.40 111.65 3brw s VAL 164 Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3brw s VAL 164 Cb 0.15 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.62 3brw s VAL 164 CO 0.60 -0.00 0.20 0.21 0.00 0.00 0.00 175.10 176.10 3brw s ASN 165 N 2.84 3.51 0.00 3.32 2.47 -1.26 -4.90 114.94 120.92 3brw s ASN 165 Ca 0.81 -2.24 -0.08 0.00 0.42 0.00 0.00 52.86 51.77 3brw s ASN 165 Cb -0.45 -0.78 0.00 0.00 -1.45 0.00 0.00 41.25 38.57 3brw s ASN 165 CO 0.37 -0.32 0.15 0.54 -3.72 0.00 0.00 177.10 174.12 3brw s VAL 166 N 0.90 0.08 -0.04 -5.21 0.11 -1.26 -4.63 120.40 110.34 3brw s VAL 166 Ca 0.16 -0.69 0.13 0.00 -2.93 0.00 0.00 61.98 58.65 3brw s VAL 166 Cb -0.22 -0.47 -0.12 0.00 -1.53 0.00 0.00 36.38 34.04 3brw s VAL 166 CO -0.06 -0.38 1.12 -2.24 -3.33 0.00 0.00 175.10 170.21 3brw h ASP 167 N 4.20 0.00 -5.00 3.54 -0.00 -1.99 -3.47 116.42 113.69 3brw h ASP 167 Ca -0.31 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.68 3brw h ASP 167 Cb 1.19 0.00 -0.16 0.00 -0.00 0.00 0.00 39.33 40.36 3brw h ASP 167 CO 0.41 0.76 0.16 0.00 -0.00 0.00 0.00 179.24 180.57 3brw s ARG 168 N -2.81 1.13 0.17 4.15 3.03 -1.26 -4.96 118.95 118.39 3brw s ARG 168 Ca -0.00 -0.10 0.04 0.00 2.03 0.00 0.00 55.73 57.69 3brw s ARG 168 Cb 0.09 0.52 -0.04 0.00 -1.03 0.00 0.00 34.95 34.49 3brw s ARG 168 CO 0.80 -0.42 0.25 -0.06 -1.13 0.00 0.00 175.30 174.74 3brw s PHE 169 N -2.35 3.37 -0.06 5.89 0.40 -1.26 -4.84 117.98 119.14 3brw s PHE 169 Ca -0.06 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.36 3brw s PHE 169 Cb -0.01 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 3brw s PHE 169 CO -0.01 0.51 -0.14 0.71 0.70 0.00 0.00 175.22 176.99 3brw s TYR 170 N -1.79 2.72 0.07 0.36 1.51 0.68 -4.96 117.35 115.94 3brw s TYR 170 Ca 0.33 -0.20 -0.31 0.00 -1.01 0.00 0.00 57.07 55.89 3brw s TYR 170 Cb -0.10 -1.65 -0.07 0.00 -0.11 0.00 0.00 41.96 40.03 3brw s TYR 170 CO 0.27 0.15 1.31 -2.14 -1.11 0.00 0.00 175.55 174.03 3brw s PRO 171 N -0.63 4.36 -0.50 -1.71 0.02 -1.26 -1.25 135.00 134.03 3brw s PRO 171 Ca 0.09 1.93 -0.28 0.00 0.02 0.00 0.00 61.00 62.76 3brw s PRO 171 Cb -0.11 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 31.09 3brw s PRO 171 CO 0.01 -0.39 1.09 0.08 -0.33 0.00 0.00 177.00 177.45 3brw s VAL 172 N 1.33 4.24 -1.07 3.83 1.01 -0.60 -4.90 120.40 124.24 3brw s VAL 172 Ca 0.62 0.98 0.12 0.00 0.00 0.00 0.00 61.98 63.70 3brw s VAL 172 Cb -0.33 -4.59 0.32 0.00 0.00 0.00 0.00 36.38 31.78 3brw s VAL 172 CO 0.29 -1.04 1.25 0.18 0.00 0.00 0.00 175.10 175.77 3brw n LEU 173 N 7.78 2.94 -4.60 3.92 4.77 -1.26 -4.77 117.00 125.78 3brw n LEU 173 Ca 0.09 -1.91 -0.43 0.00 -0.03 0.00 0.00 56.01 53.73 3brw n LEU 173 Cb 0.49 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 3brw n LEU 173 CO 0.69 0.72 0.95 -0.47 -1.33 0.00 0.00 177.39 177.95 3brw s TYR 174 N -1.00 2.92 0.41 -1.77 5.04 -1.26 -4.87 117.35 116.82 3brw s TYR 174 Ca 0.25 0.76 0.14 0.00 -2.44 0.00 0.00 57.07 55.78 3brw s TYR 174 Cb 0.13 -4.14 1.00 0.00 0.35 0.00 0.00 41.96 39.30 3brw s TYR 174 CO 0.17 -1.10 1.92 -1.35 -1.34 0.00 0.00 175.55 173.85 3brw h PRO 175 N 8.91 0.46 0.00 4.97 0.11 -1.96 0.76 132.00 145.25 3brw h PRO 175 Ca -0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3brw h PRO 175 Cb 1.06 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3brw h PRO 175 CO 1.08 0.30 0.00 1.63 -0.21 0.00 0.00 178.00 180.80 3brw n LYS 176 N -4.49 0.61 -0.04 1.05 5.02 -1.26 -4.25 118.16 114.80 3brw n LYS 176 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 3brw n LYS 176 Cb 0.48 -1.18 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 3brw n LYS 176 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3brw h ALA 177 N 2.59 0.17 -0.62 7.82 0.00 -1.24 -3.01 119.26 124.97 3brw h ALA 177 Ca 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3brw h ALA 177 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3brw h ALA 177 CO 0.00 -0.05 0.38 0.66 0.00 0.00 0.00 179.25 180.23 3brw h SER 178 N -0.10 0.74 -1.01 0.00 4.64 -1.80 0.20 113.55 116.22 3brw h SER 178 Ca 0.03 -0.06 0.28 0.00 -0.47 0.00 0.00 61.79 61.57 3brw h SER 178 Cb 0.52 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 3brw h SER 178 CO 0.02 0.58 0.70 0.03 -0.87 0.00 0.00 176.83 177.29 3brw h ARG 179 N 0.84 0.12 0.00 4.77 3.08 -1.84 -1.72 114.38 119.62 3brw h ARG 179 Ca 0.22 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3brw h ARG 179 Cb -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3brw h ARG 179 CO -0.04 0.08 -1.92 -0.11 -1.07 0.00 0.00 179.97 176.91 3brw n LEU 180 N -4.34 0.19 0.06 3.04 7.94 -0.09 -3.62 117.00 120.19 3brw n LEU 180 Ca 0.22 0.08 -0.21 0.00 -1.11 0.00 0.00 56.01 54.99 3brw n LEU 180 Cb 1.00 0.12 -0.11 0.00 0.53 0.00 0.00 43.42 44.96 3brw n LEU 180 CO 0.36 0.12 0.02 0.40 -1.11 0.00 0.00 177.39 177.17 3brw h ILE 181 N 0.00 1.28 -0.48 1.96 2.04 -0.21 -2.97 117.51 119.14 3brw h ILE 181 Ca -0.15 -2.34 -0.08 0.00 1.00 0.00 0.00 64.86 63.29 3brw h ILE 181 Cb 1.37 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.94 3brw h ILE 181 CO 0.01 0.72 -0.03 1.62 0.00 0.00 0.00 178.15 180.47 3brw h VAL 182 N 0.35 1.27 0.00 1.67 3.04 -1.49 -0.50 116.25 120.58 3brw h VAL 182 Ca -0.15 -1.11 -0.05 0.00 -1.01 0.00 0.00 66.70 64.37 3brw h VAL 182 Cb 1.79 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 3brw h VAL 182 CO 0.22 0.39 -0.23 0.71 -1.01 0.00 0.00 177.57 177.64 3brw h THR 183 N 0.72 0.57 0.01 3.17 1.35 -1.66 -1.62 112.91 115.45 3brw h THR 183 Ca 0.13 -1.14 -0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3brw h THR 183 Cb 0.55 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3brw h THR 183 CO 0.03 0.23 -0.00 0.15 -0.25 0.00 0.00 175.52 175.68 3brw h PHE 184 N 0.00 -0.01 -0.29 4.73 3.57 -1.31 -3.25 116.94 120.38 3brw h PHE 184 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3brw h PHE 184 Cb 0.76 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3brw h PHE 184 CO 0.00 0.41 0.21 -0.44 -2.23 0.00 0.00 178.31 176.26 3brw h ASP 185 N -0.43 0.06 -0.48 0.41 5.19 -0.31 -2.72 116.42 118.14 3brw h ASP 185 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3brw h ASP 185 Cb 0.43 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.92 3brw h ASP 185 CO 0.00 0.04 0.00 -0.62 -3.12 0.00 0.00 179.24 175.54 3brw n GLU 186 N -4.47 3.65 0.11 3.56 1.02 -0.68 -4.46 120.64 119.38 3brw n GLU 186 Ca 0.04 -2.83 0.11 0.00 -0.02 0.00 0.00 57.16 54.45 3brw n GLU 186 Cb 0.32 -1.88 0.47 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.45 0.68 0.01 -0.32 1.44 -1.03 -2.71 115.22 113.75 3brw n HIS 187 Ca 0.23 0.28 -0.19 0.00 -2.01 0.00 0.00 57.72 56.03 3brw n HIS 187 Cb 0.90 -0.95 -0.14 0.00 0.12 0.00 0.00 29.99 29.92 3brw n HIS 187 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3brw h VAL 188 N 0.00 0.75 -2.75 0.61 2.07 -1.84 -3.48 116.25 111.62 3brw h VAL 188 Ca 0.00 -2.48 -0.52 0.00 0.82 0.00 0.00 66.70 64.52 3brw h VAL 188 Cb 0.31 2.54 0.05 0.00 -1.52 0.00 0.00 31.29 32.67 3brw h VAL 188 CO 0.00 0.81 0.94 0.27 0.02 0.00 0.00 177.57 179.61 3brw s ILE 189 N -2.57 2.36 -0.04 4.57 -4.36 -1.10 -5.01 121.20 115.04 3brw s ILE 189 Ca -0.17 0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.47 3brw s ILE 189 Cb 0.07 -3.16 0.03 0.00 1.25 0.00 0.00 42.46 40.65 3brw s ILE 189 CO 0.80 0.02 0.07 -0.55 0.24 0.00 0.00 174.94 175.52 3brw s SER 190 N 1.16 0.43 -0.01 4.36 0.15 -1.26 -5.03 113.70 113.49 3brw s SER 190 Ca 0.72 0.12 0.11 0.00 0.70 0.00 0.00 55.95 57.61 3brw s SER 190 Cb -0.46 -0.02 0.35 0.00 -1.71 0.00 0.00 66.02 64.18 3brw s SER 190 CO 0.32 -0.18 1.27 0.59 1.20 0.00 0.00 173.24 176.44 3brw n ASN 191 N 4.64 2.25 -4.46 5.45 3.02 -1.26 -4.87 115.26 120.02 3brw n ASN 191 Ca -0.18 -2.06 -0.33 0.00 -0.03 0.00 0.00 54.58 51.99 3brw n ASN 191 Cb 0.50 -0.30 -0.13 0.00 -0.61 0.00 0.00 39.78 39.24 3brw n ASN 191 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3brw s ASN 192 N -0.93 4.04 0.07 6.41 0.01 -1.26 -1.48 114.94 121.80 3brw s ASN 192 Ca 0.26 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.24 3brw s ASN 192 Cb 0.15 -0.96 -0.03 0.00 0.41 0.00 0.00 41.25 40.82 3brw s ASN 192 CO 0.17 0.32 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.62 3brw s PHE 193 N -0.59 0.90 -0.05 2.20 0.08 -0.73 -4.99 117.98 114.81 3brw s PHE 193 Ca 0.08 -0.58 0.01 0.00 0.12 0.00 0.00 56.93 56.56 3brw s PHE 193 Cb -0.11 -0.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.84 3brw s PHE 193 CO 0.01 -0.04 -0.04 -1.59 -0.10 0.00 0.00 175.22 173.46 3brw s LYS 194 N -2.17 0.82 0.20 0.44 -2.85 -1.26 -1.97 119.74 112.94 3brw s LYS 194 Ca -0.02 -0.07 0.10 0.00 -1.00 0.00 0.00 55.97 54.97 3brw s LYS 194 Cb -0.06 -0.89 -0.04 0.00 -2.06 0.00 0.00 37.83 34.77 3brw s LYS 194 CO 0.00 -0.13 -0.20 -0.06 0.10 0.00 0.00 175.35 175.06 3brw s PHE 195 N 1.14 2.03 0.18 1.78 0.08 -1.01 -4.46 117.98 117.72 3brw s PHE 195 Ca -0.08 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 3brw s PHE 195 Cb -0.14 -0.98 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 3brw s PHE 195 CO -0.01 0.45 0.43 0.20 -0.10 0.00 0.00 175.22 176.19 3brw s GLY 196 N -2.88 2.14 -0.07 4.36 0.00 -0.83 -0.12 107.32 109.91 3brw s GLY 196 Ca 0.20 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.36 3brw s GLY 196 CO 0.09 -0.46 0.03 0.14 0.00 0.00 0.00 173.10 172.90 3brw s VAL 197 N -1.77 0.21 0.09 1.40 1.01 -0.13 0.30 120.40 121.52 3brw s VAL 197 Ca 0.42 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3brw s VAL 197 Cb -0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 3brw s VAL 197 CO 0.25 0.18 -0.17 0.27 0.00 0.00 0.00 175.10 175.63 3brw s ILE 198 N 2.03 1.41 -0.28 2.22 -4.36 -0.49 -1.44 121.20 120.29 3brw s ILE 198 Ca 0.04 -1.44 -0.09 0.00 -0.26 0.00 0.00 60.65 58.90 3brw s ILE 198 Cb -0.13 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.23 3brw s ILE 198 CO -0.05 -0.16 0.13 -0.47 0.24 0.00 0.00 174.94 174.63 3brw s TYR 199 N -1.28 3.16 -0.42 1.37 6.14 -1.26 -1.33 117.35 123.73 3brw s TYR 199 Ca 0.03 -0.32 -0.18 0.00 0.64 0.00 0.00 57.07 57.24 3brw s TYR 199 Cb -0.10 -2.32 0.02 0.00 0.42 0.00 0.00 41.96 39.98 3brw s TYR 199 CO 0.03 -0.34 0.49 -1.14 0.64 0.00 0.00 175.55 175.23 3brw s GLN 200 N 1.66 3.17 0.55 4.97 0.74 -0.40 -4.80 119.66 125.56 3brw s GLN 200 Ca 0.06 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 54.85 3brw s GLN 200 Cb -0.16 -3.95 0.04 0.00 1.10 0.00 0.00 33.01 30.03 3brw s GLN 200 CO 0.07 -0.88 0.77 0.21 -0.55 0.00 0.00 175.29 174.92 3brw s LYS 201 N 2.31 2.51 0.00 1.67 2.47 -1.26 -4.01 119.74 123.43 3brw s LYS 201 Ca 0.15 -0.84 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 3brw s LYS 201 Cb -0.16 -2.50 0.00 0.00 -1.46 0.00 0.00 37.83 33.71 3brw s LYS 201 CO 0.15 -0.73 0.00 1.28 0.16 0.00 0.00 175.35 176.21 3brw n LEU 202 N -2.34 0.00 -1.50 5.43 4.32 -1.26 -2.22 117.00 119.43 3brw n LEU 202 Ca 0.08 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.10 3brw n LEU 202 Cb 0.60 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.41 3brw n LEU 202 CO 0.45 0.00 0.11 0.61 -1.22 0.00 0.00 177.39 177.33 3brw n GLY 203 N 0.00 0.97 3.73 -0.72 0.00 -1.26 -4.54 105.19 103.37 3brw n GLY 203 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3brw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3brw n ALA 204 N 0.35 2.61 0.00 4.61 0.00 -0.94 -4.92 120.51 122.22 3brw n ALA 204 Ca 0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3brw n ALA 204 Cb 1.06 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3brw n ALA 204 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3brw n THR 205 N 3.08 0.00 -1.08 0.00 -2.24 -1.26 -4.87 114.28 107.91 3brw n THR 205 Ca 0.13 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.60 3brw n THR 205 Cb 0.35 0.20 0.13 0.00 -2.10 0.00 0.00 70.33 68.91 3brw n THR 205 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3brw s SER 206 N -0.97 3.72 0.22 3.42 1.04 -1.26 -4.87 113.70 115.00 3brw s SER 206 Ca 0.00 1.82 -0.08 0.00 0.48 0.00 0.00 55.95 58.17 3brw s SER 206 Cb 0.00 -2.44 0.25 0.00 0.10 0.00 0.00 66.02 63.92 3brw s SER 206 CO 0.00 -2.54 1.84 -0.33 0.98 0.00 0.00 173.24 173.19 3brw h GLU 207 N -1.48 0.81 -0.18 4.02 4.39 -1.96 -3.04 114.58 117.13 3brw h GLU 207 Ca -0.46 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.16 3brw h GLU 207 Cb 1.26 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3brw h GLU 207 CO 0.50 0.53 -0.04 1.49 -1.16 0.00 0.00 179.01 180.33 3brw h GLU 208 N 0.83 0.34 0.00 2.33 4.81 -1.93 -2.90 114.58 118.07 3brw h GLU 208 Ca 0.31 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3brw h GLU 208 Cb 0.12 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3brw h GLU 208 CO -0.15 0.60 -0.07 0.93 -0.73 0.00 0.00 179.01 179.59 3brw h GLU 209 N 0.06 0.00 0.09 1.92 5.08 -1.84 0.12 114.58 120.00 3brw h GLU 209 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.14 3brw h GLU 209 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3brw h GLU 209 CO 0.02 0.07 -1.23 -0.07 -1.00 0.00 0.00 179.01 176.80 3brw h LEU 210 N 0.00 0.29 0.03 1.33 3.38 -1.47 -3.40 115.31 115.47 3brw h LEU 210 Ca -0.00 -0.32 -0.38 0.00 0.09 0.00 0.00 57.88 57.26 3brw h LEU 210 Cb 0.52 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3brw h LEU 210 CO 0.01 1.26 -2.27 0.49 0.09 0.00 0.00 178.44 178.02 3brw n PHE 211 N -3.45 0.43 -2.31 1.13 3.72 -1.03 -4.37 117.46 111.57 3brw n PHE 211 Ca -0.07 0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 3brw n PHE 211 Cb 1.00 -1.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 3brw n PHE 211 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3brw s SER 212 N -6.83 6.37 -0.25 4.37 0.01 0.37 -4.85 113.70 112.89 3brw s SER 212 Ca -0.32 1.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.93 3brw s SER 212 Cb 0.09 -2.54 0.13 0.00 0.21 0.00 0.00 66.02 63.91 3brw s SER 212 CO 0.63 -1.37 0.48 -0.89 0.41 0.00 0.00 173.24 172.50 3brw s THR 213 N 5.32 -0.77 -0.19 1.44 2.01 -1.26 -4.74 115.64 117.45 3brw s THR 213 Ca 0.63 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.44 3brw s THR 213 Cb -0.16 -0.84 -0.19 0.00 0.01 0.00 0.00 72.50 71.32 3brw s THR 213 CO 0.30 -0.02 0.27 -1.13 -0.69 0.00 0.00 174.62 173.36 3brw h ASN 214 N 8.11 0.00 -3.58 3.53 -0.73 -1.94 -3.41 115.58 117.57 3brw h ASN 214 Ca -0.19 -0.55 -0.50 0.00 1.87 0.00 0.00 56.30 56.94 3brw h ASN 214 Cb 1.13 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.74 3brw h ASN 214 CO 0.20 1.37 0.09 -1.61 -0.37 0.00 0.00 177.43 177.10 3brw s GLU 215 N -2.33 3.63 -0.21 6.67 2.02 -1.26 -5.00 118.70 122.23 3brw s GLU 215 Ca -0.26 0.28 -0.06 0.00 0.02 0.00 0.00 54.97 54.94 3brw s GLU 215 Cb 0.04 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 3brw s GLU 215 CO 0.58 -0.10 0.03 -1.21 0.02 0.00 0.00 175.26 174.58 3brw s GLU 216 N -4.31 3.68 0.47 1.61 2.02 -1.26 -5.02 118.70 115.89 3brw s GLU 216 Ca 0.48 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.75 3brw s GLU 216 Cb -0.10 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 30.88 3brw s GLU 216 CO 0.39 -0.01 1.34 0.45 0.02 0.00 0.00 175.26 177.45 3brw s SER 217 N 1.09 5.84 0.60 -0.19 0.15 -1.26 -4.79 113.70 115.14 3brw s SER 217 Ca 0.03 2.72 0.31 0.00 0.70 0.00 0.00 55.95 59.72 3brw s SER 217 Cb -0.14 -2.64 1.84 0.00 -1.71 0.00 0.00 66.02 63.37 3brw s SER 217 CO 0.02 -1.18 2.20 -0.65 1.20 0.00 0.00 173.24 174.83 3brw h PRO 218 N 2.11 0.00 -0.02 5.44 0.11 -1.99 0.12 132.00 137.78 3brw h PRO 218 Ca -0.50 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3brw h PRO 218 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 3brw h PRO 218 CO 0.60 0.00 -0.95 0.00 -0.21 0.00 0.00 178.00 177.44 3brw h ALA 219 N 1.88 0.28 0.52 -0.75 0.00 -2.00 -3.17 119.26 116.02 3brw h ALA 219 Ca 0.03 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3brw h ALA 219 Cb 0.22 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3brw h ALA 219 CO -0.00 0.74 -0.25 0.35 0.00 0.00 0.00 179.25 180.09 3brw h PHE 220 N 0.34 -0.65 0.00 0.00 3.57 -1.60 -2.46 116.94 116.13 3brw h PHE 220 Ca -0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.39 3brw h PHE 220 Cb 1.59 0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.55 3brw h PHE 220 CO 0.08 -0.34 0.00 -0.24 -2.23 0.00 0.00 178.31 175.58 3brw h VAL 221 N -0.88 0.00 0.12 1.41 3.04 -0.93 0.19 116.25 119.20 3brw h VAL 221 Ca -0.07 -0.04 -0.32 0.00 -1.01 0.00 0.00 66.70 65.26 3brw h VAL 221 Cb 0.61 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 3brw h VAL 221 CO 0.12 0.00 -1.65 -0.08 -1.01 0.00 0.00 177.57 174.95 3brw h GLU 222 N 0.00 0.25 -0.26 4.17 4.81 -1.52 -3.22 114.58 118.82 3brw h GLU 222 Ca 0.00 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 58.68 3brw h GLU 222 Cb 0.05 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3brw h GLU 222 CO 0.00 1.11 -0.34 0.35 -0.73 0.00 0.00 179.01 179.40 3brw h PHE 223 N 0.07 0.65 0.00 0.92 3.57 -0.23 -1.62 116.94 120.29 3brw h PHE 223 Ca -0.29 -0.17 -0.16 0.00 3.53 0.00 0.00 57.97 60.88 3brw h PHE 223 Cb 2.03 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.60 3brw h PHE 223 CO 0.07 0.83 -0.76 -0.07 -2.23 0.00 0.00 178.31 176.14 3brw h LEU 224 N 0.47 0.00 -0.58 0.59 4.07 -1.11 0.29 115.31 119.04 3brw h LEU 224 Ca 0.05 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.87 3brw h LEU 224 Cb 0.81 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 3brw h LEU 224 CO 0.07 0.76 -0.70 -0.08 -1.08 0.00 0.00 178.44 177.40 3brw h GLU 225 N 0.00 0.00 -0.12 1.13 4.81 -1.55 -3.23 114.58 115.62 3brw h GLU 225 Ca -0.01 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 3brw h GLU 225 Cb 1.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.77 3brw h GLU 225 CO 0.10 0.70 -0.75 0.35 -0.73 0.00 0.00 179.01 178.68 3brw h PHE 226 N 0.00 0.99 0.42 0.92 3.57 -0.90 -3.37 116.94 118.56 3brw h PHE 226 Ca -0.01 -0.45 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 3brw h PHE 226 Cb 1.25 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 3brw h PHE 226 CO 0.00 1.28 -0.25 1.25 -2.23 0.00 0.00 178.31 178.36 3brw h LEU 227 N 0.42 -0.61 0.00 0.59 6.46 -0.46 -3.48 115.31 118.23 3brw h LEU 227 Ca -0.06 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 3brw h LEU 227 Cb 1.39 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.50 3brw h LEU 227 CO 0.15 -0.40 0.00 0.61 -0.62 0.00 0.00 178.44 178.19 3brw n GLY 228 N -1.38 2.37 3.63 3.75 0.00 -1.24 -4.99 105.19 107.33 3brw n GLY 228 Ca -0.11 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3brw n GLY 228 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3brw s GLN 229 N 0.05 4.12 0.03 1.61 2.00 0.39 -4.59 119.66 123.26 3brw s GLN 229 Ca 0.00 0.56 -0.30 0.00 -2.00 0.00 0.00 55.36 53.61 3brw s GLN 229 Cb 0.00 -3.64 -0.07 0.00 0.80 0.00 0.00 33.01 30.10 3brw s GLN 229 CO 0.00 -0.39 1.57 0.15 -0.50 0.00 0.00 175.29 176.12 3brw s LYS 230 N 2.42 4.22 -0.00 1.67 1.02 -1.26 -1.51 119.74 126.30 3brw s LYS 230 Ca 0.26 2.19 0.02 0.00 0.02 0.00 0.00 55.97 58.47 3brw s LYS 230 Cb -0.16 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 3brw s LYS 230 CO 0.09 -0.70 -0.08 0.14 -0.92 0.00 0.00 175.35 173.88 3brw s VAL 231 N 2.79 0.61 -0.06 3.17 -7.23 0.12 -4.95 120.40 114.86 3brw s VAL 231 Ca 0.71 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 60.21 3brw s VAL 231 Cb -0.36 -0.52 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 3brw s VAL 231 CO 0.30 0.15 1.76 -0.54 -0.31 0.00 0.00 175.10 176.46 3brw s LYS 232 N -0.25 4.06 0.40 4.82 -0.14 -1.26 -1.95 119.74 125.43 3brw s LYS 232 Ca 0.02 2.22 0.09 0.00 -1.36 0.00 0.00 55.97 56.95 3brw s LYS 232 Cb -0.03 -4.06 0.85 0.00 -1.68 0.00 0.00 37.83 32.90 3brw s LYS 232 CO -0.00 -1.00 1.98 -0.07 -0.76 0.00 0.00 175.35 175.49 3brw h LEU 233 N 10.80 0.29 -9.50 3.17 4.07 -1.00 -3.34 115.31 119.79 3brw h LEU 233 Ca -0.41 -0.04 -0.58 0.00 0.08 0.00 0.00 57.88 56.94 3brw h LEU 233 Cb 1.19 -0.08 0.05 0.00 1.08 0.00 0.00 40.66 42.91 3brw h LEU 233 CO 0.96 0.34 0.87 0.00 -1.08 0.00 0.00 178.44 179.53 3brw n GLN 234 N -4.36 2.27 -0.85 1.13 1.13 -1.26 -2.42 117.38 113.03 3brw n GLN 234 Ca 0.00 0.82 -0.04 0.00 -1.94 0.00 0.00 57.00 55.84 3brw n GLN 234 Cb 0.19 -2.61 -0.02 0.00 0.11 0.00 0.00 30.24 27.90 3brw n GLN 234 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3brw n ASP 235 N 3.93 -2.94 -4.67 1.08 8.00 -1.21 -4.90 116.55 115.84 3brw n ASP 235 Ca 0.17 0.11 -0.44 0.00 0.71 0.00 0.00 54.79 55.35 3brw n ASP 235 Cb 0.30 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.12 39.07 3brw n ASP 235 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3brw n PHE 236 N -1.31 2.09 0.58 1.24 7.35 -1.01 -4.93 117.46 121.46 3brw n PHE 236 Ca -0.04 0.53 0.06 0.00 -0.76 0.00 0.00 57.45 57.24 3brw n PHE 236 Cb 0.29 -2.41 -0.05 0.00 0.35 0.00 0.00 39.48 37.67 3brw n PHE 236 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 3brw n LYS 237 N 1.11 2.58 -0.70 -4.13 5.02 -1.26 -4.97 118.16 115.81 3brw n LYS 237 Ca 0.08 -0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.05 3brw n LYS 237 Cb 0.34 -1.11 0.05 0.00 -0.02 0.00 0.00 35.03 34.28 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 1.20 -0.58 3.58 0.72 0.00 -1.26 -4.94 105.19 103.90 3brw n GLY 238 Ca 0.03 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 3brw n GLY 238 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3brw n PHE 239 N -2.24 1.90 1.18 1.61 7.35 -1.26 -4.83 117.46 121.17 3brw n PHE 239 Ca 0.04 -0.07 0.10 0.00 -0.76 0.00 0.00 57.45 56.76 3brw n PHE 239 Cb 0.15 -2.70 0.58 0.00 0.35 0.00 0.00 39.48 37.85 3brw n PHE 239 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3brw n ARG 240 N 8.73 0.53 -3.22 -4.13 1.85 -1.26 -4.70 116.66 114.45 3brw n ARG 240 Ca 0.32 0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 57.01 3brw n ARG 240 Cb 0.43 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.32 3brw n ARG 240 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3brw n GLY 241 N 0.32 -0.47 2.54 2.89 0.00 -1.26 -0.09 105.19 109.11 3brw n GLY 241 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.89 0.99 3.82 -0.02 0.00 -1.26 -5.03 105.19 102.80 3brw n GLY 242 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.51 -0.23 0.99 1.43 0.87 -5.01 118.68 121.24 3brw s LEU 243 Ca 0.00 1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 54.01 3brw s LEU 243 Cb 0.00 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3brw s LEU 243 CO 0.00 0.28 1.76 -0.62 0.23 0.00 0.00 176.35 178.00 3brw s ASP 244 N -1.12 6.16 -0.14 2.29 2.15 -1.26 -4.87 116.67 119.87 3brw s ASP 244 Ca 0.28 1.66 -0.17 0.00 0.43 0.00 0.00 52.55 54.75 3brw s ASP 244 Cb -0.19 -2.53 -0.24 0.00 -0.30 0.00 0.00 42.92 39.66 3brw s ASP 244 CO 0.18 -1.43 0.43 0.58 -0.17 0.00 0.00 175.17 174.75 3brw h VAL 245 N 6.38 0.98 -0.25 1.11 2.07 -1.94 -3.37 116.25 121.24 3brw h VAL 245 Ca -0.36 -2.31 -0.17 0.00 0.82 0.00 0.00 66.70 64.68 3brw h VAL 245 Cb 1.17 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3brw h VAL 245 CO 1.00 0.59 -0.50 0.71 0.02 0.00 0.00 177.57 179.40 3brw h THR 246 N -0.53 1.29 -0.27 2.57 1.35 -1.89 -3.20 112.91 112.24 3brw h THR 246 Ca -0.32 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3brw h THR 246 Cb 1.59 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3brw h THR 246 CO -0.03 0.54 0.00 1.41 -0.25 0.00 0.00 175.52 177.19 3brw n HIS 247 N -4.10 0.41 -3.63 4.73 8.25 -1.26 -4.89 115.22 114.73 3brw n HIS 247 Ca -0.05 -0.55 -0.31 0.00 -0.26 0.00 0.00 57.72 56.55 3brw n HIS 247 Cb 0.60 -0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.67 3brw n HIS 247 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3brw n GLY 248 N 0.18 -0.57 0.00 -1.41 0.00 -1.25 -4.93 105.19 97.21 3brw n GLY 248 Ca 0.10 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3brw n GLY 248 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3brw n GLN 249 N -1.37 2.13 -1.60 1.61 6.02 -1.26 -4.64 117.38 118.27 3brw n GLN 249 Ca -0.20 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.49 3brw n GLN 249 Cb 0.69 -0.23 0.06 0.00 1.02 0.00 0.00 30.24 31.78 3brw n GLN 249 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3brw n THR 250 N -0.31 3.10 0.00 5.09 -2.24 -1.26 -4.86 114.28 113.80 3brw n THR 250 Ca 0.00 -3.46 0.00 0.00 -2.27 0.00 0.00 64.05 58.32 3brw n THR 250 Cb 0.02 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 3brw n THR 250 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3brw n GLY 251 N -0.84 -1.99 0.02 3.38 0.00 -1.26 -4.68 105.19 99.81 3brw n GLY 251 Ca 0.53 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 44.41 3brw n GLY 251 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3brw n THR 252 N -0.19 0.18 -3.87 2.61 -2.24 -1.26 -4.69 114.28 104.82 3brw n THR 252 Ca 0.00 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3brw n THR 252 Cb 0.00 -0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 3brw n THR 252 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3brw s GLU 253 N -2.54 0.71 0.19 -0.78 -1.05 -1.26 -0.33 118.70 113.64 3brw s GLU 253 Ca -0.04 -0.75 -0.19 0.00 -0.15 0.00 0.00 54.97 53.84 3brw s GLU 253 Cb 0.05 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 34.07 3brw s GLU 253 CO 0.39 -0.21 0.56 0.45 0.95 0.00 0.00 175.26 177.41 3brw s SER 254 N -2.32 -0.34 -0.08 0.83 0.15 -0.82 -4.83 113.70 106.30 3brw s SER 254 Ca -0.02 -0.37 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 3brw s SER 254 Cb 0.01 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 3brw s SER 254 CO -0.06 -1.06 0.23 0.54 1.20 0.00 0.00 173.24 174.09 3brw s VAL 255 N -3.84 5.35 0.04 4.45 0.11 -1.26 0.16 120.40 125.41 3brw s VAL 255 Ca 0.07 0.39 -0.20 0.00 -2.93 0.00 0.00 61.98 59.31 3brw s VAL 255 Cb -0.02 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.37 3brw s VAL 255 CO -0.05 0.59 0.45 -0.47 -3.33 0.00 0.00 175.10 172.29 3brw s TYR 256 N -1.07 -0.33 0.31 1.54 6.14 -0.57 -1.29 117.35 122.09 3brw s TYR 256 Ca 0.18 0.34 -0.08 0.00 0.64 0.00 0.00 57.07 58.15 3brw s TYR 256 Cb -0.13 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.51 3brw s TYR 256 CO 0.08 -0.59 0.50 0.00 0.64 0.00 0.00 175.55 176.18 3brw n ASN 258 N -0.98 4.80 -4.77 0.00 5.15 -1.26 -1.91 115.26 116.29 3brw n ASN 258 Ca -0.01 -3.76 -0.40 0.00 -0.60 0.00 0.00 54.58 49.81 3brw n ASN 258 Cb 0.62 -0.36 -0.01 0.00 -0.53 0.00 0.00 39.78 39.50 3brw n ASN 258 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3brw s PHE 259 N -3.58 2.78 0.00 1.20 5.36 -1.24 -4.59 117.98 117.90 3brw s PHE 259 Ca 0.51 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 3brw s PHE 259 Cb 0.41 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.28 3brw s PHE 259 CO 0.03 -2.39 0.00 0.54 -1.46 0.00 0.00 175.22 171.95 3brw n ARG 260 N 0.42 0.00 -0.14 10.12 5.12 -1.26 -0.72 116.66 130.20 3brw n ARG 260 Ca 0.02 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.01 3brw n ARG 260 Cb 0.41 0.00 0.14 0.00 -1.16 0.00 0.00 32.46 31.85 3brw n ARG 260 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3brw n ASN 261 N 6.20 2.64 -4.97 0.55 2.85 -1.26 -5.05 115.26 116.22 3brw n ASN 261 Ca 0.00 -2.80 -0.19 0.00 -0.11 0.00 0.00 54.58 51.48 3brw n ASN 261 Cb 0.00 -0.36 0.01 0.00 1.24 0.00 0.00 39.78 40.67 3brw n ASN 261 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3brw s LYS 262 N -2.39 2.59 -0.16 1.20 3.01 0.10 -5.00 119.74 119.08 3brw s LYS 262 Ca 0.28 -1.48 0.00 0.00 -1.01 0.00 0.00 55.97 53.76 3brw s LYS 262 Cb 0.23 -2.57 0.03 0.00 -1.01 0.00 0.00 37.83 34.51 3brw s LYS 262 CO 0.05 -0.39 -0.13 -1.21 0.51 0.00 0.00 175.35 174.17 3brw s GLU 263 N -4.34 2.25 -0.14 1.68 2.02 -0.55 -3.70 118.70 115.92 3brw s GLU 263 Ca 0.53 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.85 3brw s GLU 263 Cb -0.06 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3brw s GLU 263 CO 0.32 -0.29 -0.08 0.42 0.02 0.00 0.00 175.26 175.65 3brw s ILE 264 N 1.46 3.50 -0.06 -1.63 1.01 -0.80 -1.78 121.20 122.89 3brw s ILE 264 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3brw s ILE 264 Cb -0.14 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3brw s ILE 264 CO -0.10 0.51 -0.22 -0.32 0.00 0.00 0.00 174.94 174.80 3brw s MET 265 N 0.32 2.40 0.09 2.79 -2.45 -0.83 -1.08 119.30 120.54 3brw s MET 265 Ca -0.07 -0.81 0.03 0.00 -1.25 0.00 0.00 55.69 53.59 3brw s MET 265 Cb -0.15 -2.00 -0.04 0.00 1.25 0.00 0.00 34.83 33.89 3brw s MET 265 CO 0.04 0.31 0.08 -0.06 1.05 0.00 0.00 175.02 176.44 3brw s PHE 266 N -0.01 3.18 -0.55 4.11 0.08 -0.41 -2.42 117.98 121.96 3brw s PHE 266 Ca -0.06 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 56.99 3brw s PHE 266 Cb -0.14 -1.61 0.14 0.00 -0.57 0.00 0.00 43.02 40.85 3brw s PHE 266 CO 0.04 0.52 0.40 -1.01 -0.10 0.00 0.00 175.22 175.07 3brw s HIS 267 N -1.42 3.49 -0.30 0.36 3.76 0.82 -4.56 115.29 117.45 3brw s HIS 267 Ca 0.29 -2.29 -0.20 0.00 -0.15 0.00 0.00 55.06 52.72 3brw s HIS 267 Cb -0.12 -3.38 -0.01 0.00 1.11 0.00 0.00 32.58 30.18 3brw s HIS 267 CO 0.22 -0.94 0.60 0.08 -0.85 0.00 0.00 174.74 173.85 3brw s VAL 268 N 0.69 4.97 0.28 -0.90 1.01 -1.26 -0.95 120.40 124.24 3brw s VAL 268 Ca 0.11 0.82 -0.03 0.00 0.00 0.00 0.00 61.98 62.88 3brw s VAL 268 Cb -0.22 -3.96 0.27 0.00 0.00 0.00 0.00 36.38 32.47 3brw s VAL 268 CO -0.03 -0.10 1.94 0.77 0.00 0.00 0.00 175.10 177.68 3brw h SER 269 N 8.17 1.01 0.20 3.32 4.64 -1.60 0.97 113.55 130.27 3brw h SER 269 Ca -0.27 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 3brw h SER 269 Cb 1.12 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3brw h SER 269 CO 0.78 0.71 -0.49 0.71 -0.87 0.00 0.00 176.83 177.68 3brw h THR 270 N 1.18 1.33 0.00 2.95 1.35 -1.83 -3.04 112.91 114.85 3brw h THR 270 Ca 0.35 -1.71 -0.02 0.00 -0.55 0.00 0.00 66.41 64.48 3brw h THR 270 Cb -0.06 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3brw h THR 270 CO -0.09 0.52 -0.24 0.11 -0.25 0.00 0.00 175.52 175.56 3brw h LYS 271 N 0.27 0.00 -6.44 4.72 1.57 -1.62 -3.46 116.57 111.61 3brw h LYS 271 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 3brw h LYS 271 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3brw h LYS 271 CO 0.08 0.09 0.18 -0.51 -0.57 0.00 0.00 179.45 178.72 3brw s LEU 272 N -6.14 4.53 0.10 2.94 1.43 0.23 -4.61 118.68 117.16 3brw s LEU 272 Ca 0.05 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 3brw s LEU 272 Cb 0.06 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.87 3brw s LEU 272 CO 0.70 0.12 0.49 -2.65 0.23 0.00 0.00 176.35 175.25 3brw n PRO 273 N 2.12 0.00 -3.49 1.29 -0.02 -1.26 -4.91 135.00 128.73 3brw n PRO 273 Ca -0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 3brw n PRO 273 Cb 0.49 -0.82 -0.06 0.00 -0.02 0.00 0.00 33.50 33.09 3brw n PRO 273 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3brw s TYR 274 N -0.48 3.56 -0.19 6.00 5.04 -1.26 -4.47 117.35 125.56 3brw s TYR 274 Ca 0.52 0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 55.86 3brw s TYR 274 Cb -0.74 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 3brw s TYR 274 CO 0.40 0.37 0.06 0.99 -1.34 0.00 0.00 175.55 176.03 3brw s THR 275 N -0.05 4.70 -0.39 4.34 2.01 -1.26 -5.06 115.64 119.93 3brw s THR 275 Ca 0.21 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 3brw s THR 275 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3brw s THR 275 CO 0.08 0.45 1.50 -0.70 -0.69 0.00 0.00 174.62 175.27 3brw s GLU 276 N 0.49 3.53 -0.64 4.92 2.56 -1.26 -3.23 118.70 125.08 3brw s GLU 276 Ca 0.03 1.07 0.00 0.00 0.00 0.00 0.00 54.97 56.07 3brw s GLU 276 Cb -0.13 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 31.94 3brw s GLU 276 CO 0.01 -1.62 0.00 0.41 -0.56 0.00 0.00 175.26 173.50 3brw n GLY 277 N 5.14 0.36 3.52 -1.50 0.00 -1.26 -5.00 105.19 106.44 3brw n GLY 277 Ca 0.18 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.77 6.35 0.07 1.61 3.68 -1.20 -4.98 116.67 119.43 3brw s ASP 278 Ca 0.00 -0.35 -0.14 0.00 2.13 0.00 0.00 52.55 54.19 3brw s ASP 278 Cb 0.00 -2.38 -0.03 0.00 -1.45 0.00 0.00 42.92 39.06 3brw s ASP 278 CO 0.00 -1.01 0.92 0.00 0.13 0.00 0.00 175.17 175.21 3brw n ALA 279 N 6.85 -0.30 -1.65 3.66 0.00 -1.26 -2.25 120.51 125.56 3brw n ALA 279 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 3brw n ALA 279 Cb 0.47 0.03 0.16 0.00 0.00 0.00 0.00 19.45 20.12 3brw n ALA 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3brw n GLN 280 N -4.18 2.15 -3.57 0.00 0.00 -1.26 -4.40 117.38 106.12 3brw n GLN 280 Ca 0.01 -3.47 -0.24 0.00 0.00 0.00 0.00 57.00 53.30 3brw n GLN 280 Cb 0.12 -1.84 0.01 0.00 0.00 0.00 0.00 30.24 28.53 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 -1.02 -1.66 -0.11 2.61 1.13 -0.96 -4.60 117.38 112.77 3brw n GLN 281 Ca 0.30 1.10 -0.09 0.00 -1.94 0.00 0.00 57.00 56.37 3brw n GLN 281 Cb 0.85 -2.89 -0.01 0.00 0.11 0.00 0.00 30.24 28.29 3brw n GLN 281 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3brw h LEU 282 N 0.52 0.44 -2.31 1.08 3.38 -1.96 0.17 115.31 116.63 3brw h LEU 282 Ca -0.50 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.40 3brw h LEU 282 Cb 1.33 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3brw h LEU 282 CO 0.32 0.40 0.23 1.56 0.09 0.00 0.00 178.44 181.03 3brw h GLN 283 N 0.45 0.00 0.00 1.13 4.20 -1.90 0.59 115.11 119.58 3brw h GLN 283 Ca 0.13 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.50 3brw h GLN 283 Cb 0.05 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 3brw h GLN 283 CO -0.02 0.00 -2.27 0.54 -0.67 0.00 0.00 178.83 176.41 3brw n ARG 284 N -3.07 0.55 0.19 1.46 1.74 -0.78 -4.55 116.66 112.20 3brw n ARG 284 Ca -0.02 0.13 0.07 0.00 -0.77 0.00 0.00 57.85 57.26 3brw n ARG 284 Cb 0.29 -1.44 0.27 0.00 -1.02 0.00 0.00 32.46 30.57 3brw n ARG 284 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3brw h LYS 285 N -0.04 0.00 0.00 5.56 3.64 -0.25 -2.72 116.57 122.77 3brw h LYS 285 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3brw h LYS 285 Cb 1.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.58 3brw h LYS 285 CO -0.09 0.33 0.00 2.89 -2.27 0.00 0.00 179.45 180.31 3brw n ARG 286 N -3.34 0.13 -0.05 1.90 1.85 0.16 -0.34 116.66 116.96 3brw n ARG 286 Ca 0.01 0.19 -0.11 0.00 -1.00 0.00 0.00 57.85 56.93 3brw n ARG 286 Cb 0.55 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.43 3brw n ARG 286 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3brw n HIS 287 N -1.36 0.00 0.08 2.89 8.25 -1.14 -4.47 115.22 119.47 3brw n HIS 287 Ca 0.06 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.47 3brw n HIS 287 Cb 0.13 -0.42 0.14 0.00 1.12 0.00 0.00 29.99 30.97 3brw n HIS 287 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3brw h ILE 288 N -0.52 1.36 0.00 1.59 2.04 -1.52 -2.95 117.51 117.51 3brw h ILE 288 Ca -0.22 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3brw h ILE 288 Cb 1.00 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3brw h ILE 288 CO -0.13 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.17 3brw n GLY 289 N 0.13 -1.45 1.31 5.37 0.00 0.53 -2.73 105.19 108.36 3brw n GLY 289 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.97 3brw n GLY 289 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3brw n ASN 290 N -1.82 3.92 -4.94 1.61 3.02 -1.12 -4.30 115.26 111.63 3brw n ASN 290 Ca 0.05 -3.24 -0.20 0.00 -0.03 0.00 0.00 54.58 51.16 3brw n ASN 290 Cb 0.32 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3brw n ASN 290 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3brw s ASP 291 N -1.77 5.25 -0.20 6.41 1.01 -1.11 -5.00 116.67 121.27 3brw s ASP 291 Ca 0.47 -0.67 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 3brw s ASP 291 Cb 0.39 -0.44 -0.11 0.00 1.01 0.00 0.00 42.92 43.77 3brw s ASP 291 CO 0.08 -0.80 -0.21 -0.38 0.21 0.00 0.00 175.17 174.07 3brw n ILE 292 N -1.75 1.11 -5.07 0.77 5.41 -1.26 -2.55 119.36 116.02 3brw n ILE 292 Ca 0.06 -0.36 -0.32 0.00 1.00 0.00 0.00 62.75 63.13 3brw n ILE 292 Cb 0.61 -1.45 -0.15 0.00 -0.71 0.00 0.00 39.64 37.94 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 -2.38 2.58 0.19 1.39 1.01 -1.26 -1.66 120.40 120.27 3brw s VAL 293 Ca -0.27 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 60.88 3brw s VAL 293 Cb 0.09 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3brw s VAL 293 CO 0.40 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 175.98 3brw s ALA 294 N -0.45 1.79 -0.21 5.51 0.00 -0.96 -1.96 121.76 125.48 3brw s ALA 294 Ca 0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 3brw s ALA 294 Cb -0.12 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3brw s ALA 294 CO 0.01 -0.05 -0.05 0.08 0.00 0.00 0.00 175.76 175.76 3brw s VAL 295 N -3.17 3.37 -0.40 0.00 1.01 0.88 -0.54 120.40 121.55 3brw s VAL 295 Ca 0.21 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 3brw s VAL 295 Cb 0.02 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3brw s VAL 295 CO 0.05 0.43 0.27 -0.69 0.00 0.00 0.00 175.10 175.16 3brw s VAL 296 N 1.40 5.07 -0.28 2.92 1.01 0.12 -1.40 120.40 129.25 3brw s VAL 296 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3brw s VAL 296 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3brw s VAL 296 CO -0.03 -0.29 0.27 0.12 0.00 0.00 0.00 175.10 175.17 3brw s PHE 297 N 1.65 3.23 -0.04 5.22 5.36 -0.44 0.00 117.98 132.96 3brw s PHE 297 Ca 0.04 0.19 0.03 0.00 -0.96 0.00 0.00 56.93 56.23 3brw s PHE 297 Cb -0.19 -2.47 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 3brw s PHE 297 CO 0.09 -0.21 -0.10 -0.65 -1.46 0.00 0.00 175.22 172.89 3brw s GLN 298 N 1.88 2.58 -0.16 10.12 -0.21 0.05 -1.27 119.66 132.65 3brw s GLN 298 Ca 0.10 -0.67 -0.04 0.00 0.02 0.00 0.00 55.36 54.78 3brw s GLN 298 Cb -0.16 -2.47 -0.24 0.00 1.00 0.00 0.00 33.01 31.14 3brw s GLN 298 CO 0.11 0.63 0.21 -0.25 -2.12 0.00 0.00 175.29 173.86 3brw n ASP 299 N 2.05 2.06 0.00 5.90 8.00 -1.26 -1.67 116.55 131.63 3brw n ASP 299 Ca -0.17 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3brw n ASP 299 Cb 0.53 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3brw n ASP 299 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3brw n GLU 300 N -3.41 1.76 -2.71 -1.24 4.07 -1.26 -4.52 120.64 113.32 3brw n GLU 300 Ca -0.36 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 56.67 3brw n GLU 300 Cb 1.03 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 32.51 3brw n GLU 300 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3brw n ASN 301 N 0.00 -2.03 -4.79 4.31 2.85 -1.26 -4.80 115.26 109.54 3brw n ASN 301 Ca 0.00 -3.17 -0.36 0.00 -0.11 0.00 0.00 54.58 50.93 3brw n ASN 301 Cb 0.00 1.70 -0.06 0.00 1.24 0.00 0.00 39.78 42.66 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 0.21 4.13 0.52 -0.44 2.01 -1.26 -5.03 115.64 115.76 3brw s THR 302 Ca 0.21 1.68 -0.23 0.00 0.31 0.00 0.00 61.69 63.67 3brw s THR 302 Cb 0.29 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 3brw s THR 302 CO -0.09 0.07 1.37 -0.81 -0.69 0.00 0.00 174.62 174.46 3brw n PRO 303 N 0.31 1.83 -3.94 4.92 -0.04 -1.26 -5.04 135.00 131.79 3brw n PRO 303 Ca 0.03 0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 64.01 3brw n PRO 303 Cb 0.50 -2.58 -0.15 0.00 -0.04 0.00 0.00 33.50 31.24 3brw n PRO 303 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3brw s PHE 304 N -1.26 0.20 0.07 0.54 2.19 -1.26 -4.97 117.98 113.48 3brw s PHE 304 Ca 0.69 -0.00 0.05 0.00 0.33 0.00 0.00 56.93 57.99 3brw s PHE 304 Cb -0.43 -0.21 -0.03 0.00 -1.31 0.00 0.00 43.02 41.04 3brw s PHE 304 CO 0.52 -0.05 -0.14 0.14 1.83 0.00 0.00 175.22 177.52 3brw s VAL 305 N 0.40 1.09 0.30 3.12 -7.23 -1.26 -5.03 120.40 111.79 3brw s VAL 305 Ca -0.04 -1.28 0.17 0.00 -1.81 0.00 0.00 61.98 59.02 3brw s VAL 305 Cb -0.06 -1.05 0.28 0.00 0.56 0.00 0.00 36.38 36.11 3brw s VAL 305 CO -0.01 -0.22 1.26 -2.65 -0.31 0.00 0.00 175.10 173.17 3brw n PRO 306 N 1.32 -0.05 0.22 4.82 -0.01 -1.26 -1.55 135.00 138.49 3brw n PRO 306 Ca -0.21 1.10 0.15 0.00 -0.01 0.00 0.00 63.50 64.53 3brw n PRO 306 Cb 0.54 -1.98 0.59 0.00 -0.01 0.00 0.00 33.50 32.64 3brw n PRO 306 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 3brw h ASP 307 N 0.00 0.00 0.50 2.55 3.45 -1.99 -3.20 116.42 117.73 3brw h ASP 307 Ca 0.68 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 58.09 3brw h ASP 307 Cb 1.79 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.56 3brw h ASP 307 CO -0.61 0.00 -0.22 0.24 -1.57 0.00 0.00 179.24 177.08 3brw h MET 308 N 0.00 0.00 -6.10 3.56 2.86 -1.62 -3.41 114.93 110.22 3brw h MET 308 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 3brw h MET 308 Cb 0.49 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 31.94 3brw h MET 308 CO 0.00 0.22 -0.71 0.42 1.06 0.00 0.00 176.91 177.89 3brw s ILE 309 N -4.06 3.53 -0.66 -1.22 1.01 -1.21 -4.41 121.20 114.18 3brw s ILE 309 Ca -0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 3brw s ILE 309 Cb 0.13 -2.44 0.17 0.00 0.01 0.00 0.00 42.46 40.33 3brw s ILE 309 CO 0.64 0.59 0.54 0.00 0.00 0.00 0.00 174.94 176.70 3brw s ALA 310 N -0.67 3.72 0.10 9.38 0.00 -1.26 -5.00 121.76 128.03 3brw s ALA 310 Ca 0.10 -3.09 0.01 0.00 0.00 0.00 0.00 51.96 48.99 3brw s ALA 310 Cb -0.11 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 3brw s ALA 310 CO 0.01 -2.12 -0.05 -1.54 0.00 0.00 0.00 175.76 172.07 3brw s SER 311 N 1.78 1.05 0.13 0.00 1.04 -1.26 -5.03 113.70 111.42 3brw s SER 311 Ca 0.14 -1.03 0.23 0.00 0.48 0.00 0.00 55.95 55.78 3brw s SER 311 Cb -0.18 0.11 0.15 0.00 0.10 0.00 0.00 66.02 66.20 3brw s SER 311 CO -0.05 -0.50 1.15 0.59 0.98 0.00 0.00 173.24 175.41 3brw n ASN 312 N -0.05 0.72 -0.07 7.02 3.02 -1.26 -4.54 115.26 120.10 3brw n ASN 312 Ca -0.12 0.12 -0.18 0.00 -0.03 0.00 0.00 54.58 54.38 3brw n ASN 312 Cb 0.61 0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 40.08 3brw n ASN 312 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3brw h PHE 313 N 0.00 0.06 -2.64 3.10 3.57 -1.84 -3.44 116.94 115.75 3brw h PHE 313 Ca 0.00 -0.04 -0.57 0.00 3.53 0.00 0.00 57.97 60.89 3brw h PHE 313 Cb 0.84 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3brw h PHE 313 CO 0.00 1.26 1.22 -0.51 -2.23 0.00 0.00 178.31 178.05 3brw s LEU 314 N -8.00 3.74 -0.01 0.59 1.43 -1.06 -4.36 118.68 111.02 3brw s LEU 314 Ca -0.23 1.60 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 3brw s LEU 314 Cb 0.01 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 3brw s LEU 314 CO 0.66 -1.47 0.14 1.41 0.23 0.00 0.00 176.35 177.33 3brw n HIS 315 N 9.34 0.00 -3.68 0.29 8.25 -0.67 -4.90 115.22 123.86 3brw n HIS 315 Ca 0.21 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3brw n HIS 315 Cb 0.45 -0.11 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.26 -1.38 0.13 -1.41 0.00 -1.10 -2.76 121.76 112.98 3brw s ALA 316 Ca -0.01 1.68 0.10 0.00 0.00 0.00 0.00 51.96 53.72 3brw s ALA 316 Cb 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3brw s ALA 316 CO 0.24 -0.28 -0.24 0.71 0.00 0.00 0.00 175.76 176.19 3brw s TYR 317 N 0.68 2.12 -0.23 0.00 2.02 -0.24 -2.26 117.35 119.44 3brw s TYR 317 Ca -0.03 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3brw s TYR 317 Cb -0.05 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3brw s TYR 317 CO -0.05 0.32 -0.10 0.08 -1.57 0.00 0.00 175.55 174.24 3brw s VAL 318 N -1.24 2.71 -0.30 0.71 1.01 0.29 -2.64 120.40 120.94 3brw s VAL 318 Ca 0.13 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3brw s VAL 318 Cb -0.09 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3brw s VAL 318 CO 0.06 0.32 0.36 -0.69 0.00 0.00 0.00 175.10 175.14 3brw s VAL 319 N 1.33 5.18 -0.21 2.92 1.01 -0.20 0.16 120.40 130.58 3brw s VAL 319 Ca 0.02 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3brw s VAL 319 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3brw s VAL 319 CO -0.07 0.05 -0.10 -0.69 0.00 0.00 0.00 175.10 174.30 3brw s VAL 320 N 2.03 2.87 -0.17 2.92 1.01 0.10 -1.77 120.40 127.39 3brw s VAL 320 Ca 0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3brw s VAL 320 Cb -0.16 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 3brw s VAL 320 CO 0.11 0.42 -0.05 -1.58 0.00 0.00 0.00 175.10 174.00 3brw s GLN 321 N 1.39 3.54 -0.06 2.72 -0.44 -0.50 -0.77 119.66 125.53 3brw s GLN 321 Ca 0.05 -0.58 -0.17 0.00 -2.50 0.00 0.00 55.36 52.16 3brw s GLN 321 Cb -0.14 -2.92 -0.05 0.00 -1.64 0.00 0.00 33.01 28.26 3brw s GLN 321 CO -0.07 0.09 0.47 0.00 0.50 0.00 0.00 175.29 176.28 3brw s ALA 322 N 0.75 3.55 -0.41 1.58 0.00 -0.67 -0.60 121.76 125.96 3brw s ALA 322 Ca -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3brw s ALA 322 Cb -0.15 -2.58 0.15 0.00 0.00 0.00 0.00 23.12 20.55 3brw s ALA 322 CO 0.02 0.17 0.27 -2.00 0.00 0.00 0.00 175.76 174.22 3brw s GLU 323 N -0.03 0.92 -0.70 0.00 2.56 -1.12 -4.80 118.70 115.54 3brw s GLU 323 Ca 0.26 -1.80 -0.25 0.00 0.00 0.00 0.00 54.97 53.18 3brw s GLU 323 Cb -0.16 -1.69 -0.13 0.00 2.00 0.00 0.00 34.13 34.15 3brw s GLU 323 CO 0.12 -1.25 2.42 0.41 -0.56 0.00 0.00 175.26 176.40 3brw n GLY 324 N 3.51 -0.06 3.00 -1.50 0.00 -1.26 -2.16 105.19 106.71 3brw n GLY 324 Ca 0.16 0.46 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 3brw n GLY 324 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3brw s GLY 325 N 10.69 0.80 0.00 -0.02 0.00 -1.26 -4.98 107.32 112.55 3brw s GLY 325 Ca 0.99 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3brw s GLY 325 CO 0.19 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.14 3brw n GLY 326 N 4.01 -1.90 1.00 0.20 0.00 -1.26 -4.29 105.19 102.94 3brw n GLY 326 Ca -0.21 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3brw n GLY 326 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3brw n PRO 327 N -2.32 0.77 -3.35 1.61 -0.02 -1.26 -4.65 135.00 125.78 3brw n PRO 327 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3brw n PRO 327 Cb 0.00 -1.12 -0.02 0.00 -0.02 0.00 0.00 33.50 32.34 3brw n PRO 327 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3brw s ASP 328 N 0.99 -1.29 0.08 2.55 3.68 -1.26 -5.15 116.67 116.27 3brw s ASP 328 Ca 0.00 1.17 0.00 0.00 2.13 0.00 0.00 52.55 55.85 3brw s ASP 328 Cb 0.00 2.23 0.00 0.00 -1.45 0.00 0.00 42.92 43.70 3brw s ASP 328 CO 0.00 -0.24 0.00 0.61 0.13 0.00 0.00 175.17 175.67 3brw n GLY 329 N 5.44 -2.37 3.66 2.66 0.00 -1.26 -4.83 105.19 108.49 3brw n GLY 329 Ca -0.05 -0.06 -0.47 0.00 0.00 0.00 0.00 46.02 45.44 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 1.76 2.05 -2.64 1.61 -0.02 -1.26 -4.54 135.00 131.96 3brw n PRO 330 Ca 0.00 0.74 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 3brw n PRO 330 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 30.96 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 1.15 4.11 -0.23 2.45 2.01 -0.92 -4.20 118.68 123.06 3brw s LEU 331 Ca 0.81 1.41 -0.14 0.00 0.01 0.00 0.00 54.13 56.21 3brw s LEU 331 Cb -0.71 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 41.91 3brw s LEU 331 CO 0.40 -0.67 0.32 -0.31 1.01 0.00 0.00 176.35 177.11 3brw s TYR 332 N 3.17 3.32 -0.51 0.29 2.02 0.31 -2.78 117.35 123.17 3brw s TYR 332 Ca 0.45 0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 57.36 3brw s TYR 332 Cb -0.16 -2.47 0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3brw s TYR 332 CO 0.07 -0.05 0.83 0.15 -1.57 0.00 0.00 175.55 174.98 3brw s LYS 333 N 1.46 3.31 -0.23 -0.62 1.02 0.23 -1.89 119.74 123.03 3brw s LYS 333 Ca 0.15 -0.33 -0.05 0.00 0.02 0.00 0.00 55.97 55.75 3brw s LYS 333 Cb -0.15 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.12 3brw s LYS 333 CO 0.08 -1.32 0.01 0.08 -0.92 0.00 0.00 175.35 173.27 3brw s VAL 334 N 3.50 3.83 0.18 3.17 1.01 -1.19 -1.41 120.40 129.48 3brw s VAL 334 Ca 0.27 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3brw s VAL 334 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3brw s VAL 334 CO 0.19 0.39 -0.15 -0.94 0.00 0.00 0.00 175.10 174.59 3brw s SER 335 N 1.46 2.46 -0.10 3.32 1.04 -0.73 -4.89 113.70 116.27 3brw s SER 335 Ca 0.05 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.54 3brw s SER 335 Cb -0.15 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.87 3brw s SER 335 CO 0.00 -0.15 -0.14 0.68 0.98 0.00 0.00 173.24 174.62 3brw s VAL 336 N -2.69 1.37 -0.01 5.02 -7.23 -1.26 -1.04 120.40 114.57 3brw s VAL 336 Ca 0.19 -0.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 3brw s VAL 336 Cb -0.02 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 3brw s VAL 336 CO 0.06 0.42 -0.15 0.28 -0.31 0.00 0.00 175.10 175.39 3brw s THR 337 N 1.00 1.20 0.18 5.32 -1.32 -1.08 -5.04 115.64 115.89 3brw s THR 337 Ca -0.07 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.71 3brw s THR 337 Cb -0.15 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.86 3brw s THR 337 CO -0.01 0.33 0.30 0.00 -2.21 0.00 0.00 174.62 173.03 3brw n ALA 338 N 2.68 -0.49 -1.83 11.08 0.00 -1.26 -1.08 120.51 129.60 3brw n ALA 338 Ca -0.14 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 3brw n ALA 338 Cb 0.55 0.55 0.11 0.00 0.00 0.00 0.00 19.45 20.66 3brw n ALA 338 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3brw s ARG 339 N -2.22 1.63 0.00 0.00 1.81 -1.11 -4.91 118.95 114.15 3brw s ARG 339 Ca 0.11 0.08 0.26 0.00 -1.72 0.00 0.00 55.73 54.45 3brw s ARG 339 Cb -0.01 -1.92 1.32 0.00 -0.45 0.00 0.00 34.95 33.89 3brw s ARG 339 CO 0.08 -1.82 1.87 -0.25 -0.68 0.00 0.00 175.30 174.50 3brw n ASP 340 N -3.46 0.00 0.07 0.23 10.43 -1.26 -3.45 116.55 119.10 3brw n ASP 340 Ca 0.09 -0.15 -0.19 0.00 2.57 0.00 0.00 54.79 57.10 3brw n ASP 340 Cb 0.61 -0.26 -0.10 0.00 1.84 0.00 0.00 41.12 43.21 3brw n ASP 340 CO 0.00 0.00 0.00 -0.78 -1.07 0.00 0.00 177.20 175.35 3brw h ASP 341 N 0.00 0.80 -3.51 -2.24 3.58 -1.96 -3.46 116.42 109.64 3brw h ASP 341 Ca 0.00 -0.68 -0.53 0.00 0.42 0.00 0.00 57.03 56.24 3brw h ASP 341 Cb 0.22 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 3brw h ASP 341 CO 0.00 1.49 0.17 0.68 -2.88 0.00 0.00 179.24 178.70 3brw s VAL 342 N -3.17 4.39 0.73 2.25 -7.23 -1.22 -4.36 120.40 111.78 3brw s VAL 342 Ca -0.09 1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 61.65 3brw s VAL 342 Cb 0.07 -4.13 0.03 0.00 0.56 0.00 0.00 36.38 32.91 3brw s VAL 342 CO 0.91 0.52 1.11 -2.84 -0.31 0.00 0.00 175.10 174.49 3brw s PRO 343 N -1.12 2.62 0.55 4.82 0.02 -1.26 -4.95 135.00 135.68 3brw s PRO 343 Ca 0.35 0.34 -0.22 0.00 0.02 0.00 0.00 61.00 61.49 3brw s PRO 343 Cb -0.23 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.23 3brw s PRO 343 CO 0.26 -1.17 1.37 0.12 -0.33 0.00 0.00 177.00 177.25 3brw s PHE 344 N -3.40 2.25 0.00 6.54 2.19 -1.26 -4.89 117.98 119.40 3brw s PHE 344 Ca 0.59 1.36 0.00 0.00 0.33 0.00 0.00 56.93 59.21 3brw s PHE 344 Cb -0.11 -3.83 0.00 0.00 -1.31 0.00 0.00 43.02 37.77 3brw s PHE 344 CO 0.51 -3.00 0.00 1.97 1.83 0.00 0.00 175.22 176.53 3brw n PHE 345 N -1.05 -0.68 -1.09 10.12 -1.74 -1.26 -4.98 117.46 116.79 3brw n PHE 345 Ca 0.10 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.14 3brw n PHE 345 Cb 0.45 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.40 3brw n PHE 345 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3brw n GLY 346 N 0.00 -2.06 3.76 4.97 0.00 -1.26 -4.65 105.19 105.94 3brw n GLY 346 Ca 0.00 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 3brw n GLY 346 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3brw s PRO 347 N -2.37 4.57 0.77 1.61 0.02 -1.26 -5.00 135.00 133.34 3brw s PRO 347 Ca 0.00 1.88 -0.14 0.00 0.02 0.00 0.00 61.00 62.76 3brw s PRO 347 Cb 0.00 -3.18 0.06 0.00 0.02 0.00 0.00 34.50 31.40 3brw s PRO 347 CO 0.00 0.10 1.18 -2.14 -0.33 0.00 0.00 177.00 175.81 3brw s PRO 348 N -1.29 1.97 0.04 5.54 0.02 -1.26 -4.96 135.00 135.05 3brw s PRO 348 Ca 0.47 1.64 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 3brw s PRO 348 Cb -0.33 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.31 3brw s PRO 348 CO 0.42 -1.94 1.14 -0.51 -0.33 0.00 0.00 177.00 175.78 3brw s LEU 349 N -5.49 4.36 0.86 -5.54 1.43 -1.26 -5.04 118.68 108.01 3brw s LEU 349 Ca 0.71 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 3brw s LEU 349 Cb -0.26 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.49 3brw s LEU 349 CO 0.48 -0.42 1.12 -2.65 0.23 0.00 0.00 176.35 175.12 3brw n PRO 350 N 4.00 -0.13 0.14 1.29 -0.02 -1.26 -4.89 135.00 134.12 3brw n PRO 350 Ca 0.08 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3brw n PRO 350 Cb 0.48 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3brw n PRO 350 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3brw h ASP 351 N -1.38 0.00 -0.86 2.55 3.04 -1.99 -1.10 116.42 116.68 3brw h ASP 351 Ca -0.45 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.41 3brw h ASP 351 Cb 1.29 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.52 3brw h ASP 351 CO 0.43 0.61 0.56 -0.65 -2.04 0.00 0.00 179.24 178.14 3brw h PRO 352 N 0.00 0.92 -0.99 4.15 0.11 -2.05 -3.46 132.00 130.69 3brw h PRO 352 Ca -0.01 -0.06 -0.34 0.00 0.11 0.00 0.00 66.00 65.71 3brw h PRO 352 Cb 1.23 -0.21 -0.12 0.00 0.11 0.00 0.00 31.00 32.01 3brw h PRO 352 CO 0.08 0.61 -0.33 0.00 -0.21 0.00 0.00 178.00 178.15 3brw n ALA 353 N -2.41 -0.28 -2.99 -0.75 0.00 -0.42 -4.97 120.51 108.68 3brw n ALA 353 Ca 0.13 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 3brw n ALA 353 Cb 0.21 -1.77 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 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 -2.65 0.10 0.33 0.00 1.01 -1.26 -3.18 120.40 114.76 3brw s VAL 354 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3brw s VAL 354 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 3brw s VAL 354 CO 0.00 -0.47 0.08 -0.36 0.00 0.00 0.00 175.10 174.34 3brw s PHE 355 N -1.41 1.84 0.04 5.22 0.08 -0.79 -4.93 117.98 118.03 3brw s PHE 355 Ca -0.15 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 55.90 3brw s PHE 355 Cb -0.09 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3brw s PHE 355 CO -0.01 -0.12 -0.20 0.50 -0.10 0.00 0.00 175.22 175.29 3brw s ARG 356 N -3.89 1.38 0.33 0.44 3.52 -1.26 -0.53 118.95 118.94 3brw s ARG 356 Ca 0.34 -0.93 -0.26 0.00 -0.13 0.00 0.00 55.73 54.76 3brw s ARG 356 Cb 0.07 -1.49 -0.13 0.00 -1.56 0.00 0.00 34.95 31.84 3brw s ARG 356 CO 0.15 0.38 0.84 1.17 -0.81 0.00 0.00 175.30 177.03 3brw n LYS 357 N 1.88 1.01 0.00 5.12 4.81 -1.26 -4.34 118.16 125.38 3brw n LYS 357 Ca -0.17 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3brw n LYS 357 Cb 0.53 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.89 3brw n LYS 357 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3brw n GLY 358 N 1.44 3.93 0.20 3.14 0.00 -1.26 -4.92 105.19 107.71 3brw n GLY 358 Ca 0.11 -1.59 0.11 0.00 0.00 0.00 0.00 46.02 44.65 3brw n GLY 358 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3brw n PRO 359 N -1.47 -0.04 -0.32 1.61 -0.02 -1.26 -1.42 135.00 132.08 3brw n PRO 359 Ca 0.00 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3brw n PRO 359 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 3brw n PRO 359 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3brw n GLU 360 N -4.63 -0.34 0.06 -0.52 4.07 -1.26 -2.68 120.64 115.34 3brw n GLU 360 Ca 0.16 1.24 -0.22 0.00 -0.06 0.00 0.00 57.16 58.27 3brw n GLU 360 Cb 0.53 -1.82 -0.15 0.00 -0.06 0.00 0.00 31.44 29.94 3brw n GLU 360 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3brw h PHE 361 N 0.00 0.67 -0.89 4.31 3.57 -1.43 -3.33 116.94 119.83 3brw h PHE 361 Ca 0.12 -0.49 0.21 0.00 3.53 0.00 0.00 57.97 61.35 3brw h PHE 361 Cb 0.31 -0.03 -0.16 0.00 2.79 0.00 0.00 35.95 38.86 3brw h PHE 361 CO -0.86 1.69 -0.06 0.37 -2.23 0.00 0.00 178.31 177.21 3brw h GLN 362 N 0.10 0.04 -0.65 1.11 4.15 -1.56 0.46 115.11 118.76 3brw h GLN 362 Ca -0.36 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.10 3brw h GLN 362 Cb 2.09 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 29.72 3brw h GLN 362 CO 0.16 0.02 0.39 1.49 -1.93 0.00 0.00 178.83 178.96 3brw h GLU 363 N 0.04 0.73 0.37 1.69 4.81 -1.62 -2.20 114.58 118.40 3brw h GLU 363 Ca 0.49 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.66 3brw h GLU 363 Cb 0.88 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3brw h GLU 363 CO -0.85 0.48 -0.18 0.35 -0.73 0.00 0.00 179.01 178.09 3brw h PHE 364 N 0.75 -0.46 -0.29 0.92 3.04 -1.06 -2.23 116.94 117.61 3brw h PHE 364 Ca 0.27 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.28 3brw h PHE 364 Cb 0.07 0.15 -0.08 0.00 2.56 0.00 0.00 35.95 38.65 3brw h PHE 364 CO -0.06 -0.26 -0.30 1.25 -2.02 0.00 0.00 178.31 176.92 3brw h LEU 365 N -0.54 -0.98 0.07 0.59 5.85 -1.14 0.11 115.31 119.27 3brw h LEU 365 Ca -0.05 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3brw h LEU 365 Cb 0.40 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3brw h LEU 365 CO 0.08 -0.32 -0.15 -0.07 -0.34 0.00 0.00 178.44 177.64 3brw h LEU 366 N -0.29 -0.41 -0.69 2.25 3.38 -1.38 0.27 115.31 118.44 3brw h LEU 366 Ca 0.14 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3brw h LEU 366 Cb 0.52 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3brw h LEU 366 CO -0.45 -0.21 0.40 0.71 0.09 0.00 0.00 178.44 178.97 3brw h THR 367 N -0.28 0.98 -0.85 0.22 1.35 -1.15 -1.53 112.91 111.66 3brw h THR 367 Ca 0.03 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3brw h THR 367 Cb 0.31 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 3brw h THR 367 CO -0.09 0.13 0.52 0.50 -0.25 0.00 0.00 175.52 176.33 3brw h LYS 368 N 0.73 1.14 -0.33 4.72 1.63 -0.16 0.88 116.57 125.18 3brw h LYS 368 Ca 0.31 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3brw h LYS 368 Cb 0.18 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 3brw h LYS 368 CO -0.18 0.79 0.07 -0.07 -3.45 0.00 0.00 179.45 176.61 3brw h LEU 369 N 1.16 0.51 0.17 5.20 3.38 0.24 -1.40 115.31 124.58 3brw h LEU 369 Ca 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3brw h LEU 369 Cb -0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3brw h LEU 369 CO -0.06 0.63 -0.08 0.40 0.09 0.00 0.00 178.44 179.41 3brw h ILE 370 N 0.38 0.93 -0.52 1.22 2.04 -0.87 -2.37 117.51 118.32 3brw h ILE 370 Ca 0.10 -0.52 0.15 0.00 1.00 0.00 0.00 64.86 65.60 3brw h ILE 370 Cb 0.32 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3brw h ILE 370 CO 0.00 0.12 0.50 0.78 0.00 0.00 0.00 178.15 179.55 3brw h ASN 371 N -0.49 0.00 -0.02 1.72 2.35 -0.84 -0.61 115.58 117.68 3brw h ASN 371 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3brw h ASN 371 Cb 0.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3brw h ASN 371 CO 0.04 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.78 3brw h ALA 372 N 1.49 0.04 -0.74 -0.83 0.00 -0.75 -1.49 119.26 116.97 3brw h ALA 372 Ca 0.25 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3brw h ALA 372 Cb 1.24 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3brw h ALA 372 CO -0.00 -0.17 0.46 1.49 0.00 0.00 0.00 179.25 181.03 3brw h GLU 373 N -0.44 0.87 0.27 0.00 4.81 -0.73 0.38 114.58 119.74 3brw h GLU 373 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3brw h GLU 373 Cb 0.57 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3brw h GLU 373 CO 0.01 0.58 -0.17 1.88 -0.73 0.00 0.00 179.01 180.58 3brw h TYR 374 N 0.90 -0.44 -0.94 0.92 0.05 -1.31 -0.93 116.97 115.22 3brw h TYR 374 Ca 0.30 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.15 3brw h TYR 374 Cb 0.04 0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 3brw h TYR 374 CO -0.04 -0.27 0.61 0.00 -1.05 0.00 0.00 178.16 177.41 3brw h ALA 375 N 0.29 1.51 -0.61 3.88 0.00 -0.71 -1.77 119.26 121.85 3brw h ALA 375 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3brw h ALA 375 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3brw h ALA 375 CO 0.02 0.34 0.35 0.00 0.00 0.00 0.00 179.25 179.95 3brw h TYR 377 N 0.84 0.00 -0.00 0.00 0.05 -0.25 0.30 116.97 117.91 3brw h TYR 377 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3brw h TYR 377 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3brw h TYR 377 CO 0.00 0.00 -0.07 1.63 -1.05 0.00 0.00 178.16 178.67 3brw n LYS 378 N -4.16 0.58 -1.55 4.88 5.02 -0.78 -2.89 118.16 119.27 3brw n LYS 378 Ca 0.08 -0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 55.89 3brw n LYS 378 Cb 0.59 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.18 3brw n LYS 378 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3brw s ALA 379 N -2.51 2.20 0.14 7.82 0.00 0.10 -4.74 121.76 124.79 3brw s ALA 379 Ca 0.29 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 53.08 3brw s ALA 379 Cb 0.20 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.85 3brw s ALA 379 CO 0.47 -1.78 1.71 1.49 0.00 0.00 0.00 175.76 177.65 3brw h GLU 380 N 0.02 0.09 -0.88 0.00 4.22 -1.87 -0.64 114.58 115.53 3brw h GLU 380 Ca -0.49 -0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.06 3brw h GLU 380 Cb 1.31 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.46 3brw h GLU 380 CO 0.51 0.06 0.51 0.87 -2.18 0.00 0.00 179.01 178.77 3brw h LYS 381 N 0.09 0.78 0.06 1.92 1.57 -1.93 -2.68 116.57 116.39 3brw h LYS 381 Ca 0.14 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.70 3brw h LYS 381 Cb 0.18 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3brw h LYS 381 CO -0.22 0.52 -0.89 0.74 -0.57 0.00 0.00 179.45 179.03 3brw h PHE 382 N 0.81 0.23 -0.71 -1.35 0.04 -1.75 -3.38 116.94 110.83 3brw h PHE 382 Ca 0.44 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 61.06 3brw h PHE 382 Cb 0.46 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 3brw h PHE 382 CO -0.05 1.35 0.47 0.00 -0.60 0.00 0.00 178.31 179.47 3brw h ALA 383 N -0.12 1.55 -0.59 2.45 0.00 -0.98 0.07 119.26 121.63 3brw h ALA 383 Ca -0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3brw h ALA 383 Cb 1.42 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 3brw h ALA 383 CO -0.01 0.40 0.10 -0.22 0.00 0.00 0.00 179.25 179.53 3brw h LYS 384 N 0.91 0.95 -0.66 0.00 3.64 -1.67 -0.54 116.57 119.20 3brw h LYS 384 Ca 0.27 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3brw h LYS 384 Cb -0.02 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3brw h LYS 384 CO -0.07 0.87 0.00 1.47 -2.27 0.00 0.00 179.45 179.45 3brw n LEU 385 N -4.24 3.58 0.01 5.20 -0.00 -0.95 -2.53 117.00 118.07 3brw n LEU 385 Ca 0.04 -1.78 -0.22 0.00 -0.00 0.00 0.00 56.01 54.06 3brw n LEU 385 Cb 0.27 -0.44 -0.14 0.00 -0.00 0.00 0.00 43.42 43.11 3brw n LEU 385 CO 0.42 0.89 -0.50 -0.08 -0.00 0.00 0.00 177.39 178.12 3brw h GLU 386 N 3.94 0.25 -0.17 1.47 4.22 -0.39 -3.31 114.58 120.58 3brw h GLU 386 Ca 0.00 -0.43 -0.14 0.00 0.08 0.00 0.00 59.36 58.88 3brw h GLU 386 Cb 0.90 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3brw h GLU 386 CO 0.00 1.20 -0.47 0.93 -2.18 0.00 0.00 179.01 178.50 3brw h GLU 387 N -0.24 0.44 -0.40 1.92 5.08 -1.18 -0.02 114.58 120.18 3brw h GLU 387 Ca -0.33 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 3brw h GLU 387 Cb 1.81 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 3brw h GLU 387 CO 0.06 0.82 0.21 -0.09 -1.00 0.00 0.00 179.01 179.01 3brw h ARG 388 N 0.36 0.56 -0.55 2.33 2.43 -1.68 -2.01 114.38 115.82 3brw h ARG 388 Ca 0.02 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3brw h ARG 388 Cb 0.96 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3brw h ARG 388 CO 0.08 0.48 0.13 1.15 -1.51 0.00 0.00 179.97 180.30 3brw h THR 389 N 0.51 1.24 0.48 0.20 2.02 -1.60 -2.29 112.91 113.47 3brw h THR 389 Ca 0.14 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3brw h THR 389 Cb 0.09 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3brw h THR 389 CO -0.02 0.32 -0.45 -0.09 0.37 0.00 0.00 175.52 175.65 3brw h ARG 390 N 0.77 -0.89 -0.40 6.66 2.43 -0.84 -2.61 114.38 119.50 3brw h ARG 390 Ca 0.17 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3brw h ARG 390 Cb 0.34 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3brw h ARG 390 CO 0.00 -0.60 0.25 0.00 -1.51 0.00 0.00 179.97 178.12 3brw h ALA 391 N -0.67 0.51 -1.01 2.80 0.00 -1.23 0.04 119.26 119.70 3brw h ALA 391 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3brw h ALA 391 Cb 0.81 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3brw h ALA 391 CO -0.04 -0.02 0.65 0.00 0.00 0.00 0.00 179.25 179.84 3brw h ALA 392 N 1.12 1.41 0.05 0.00 0.00 -1.41 -0.71 119.26 119.72 3brw h ALA 392 Ca 0.14 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 3brw h ALA 392 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3brw h ALA 392 CO -0.03 0.43 -1.28 1.25 0.00 0.00 0.00 179.25 179.63 3brw h LEU 393 N 1.17 0.17 -0.88 0.00 6.46 -1.06 -3.03 115.31 118.14 3brw h LEU 393 Ca 0.44 -0.21 -0.09 0.00 -0.12 0.00 0.00 57.88 57.90 3brw h LEU 393 Cb 0.19 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 3brw h LEU 393 CO -0.18 1.17 -0.15 0.25 -0.62 0.00 0.00 178.44 178.91 3brw h LEU 394 N 0.03 0.66 -0.80 2.25 5.85 -0.59 -0.84 115.31 121.88 3brw h LEU 394 Ca -0.13 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 3brw h LEU 394 Cb 1.90 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 3brw h LEU 394 CO 0.14 0.83 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.75 3brw h GLU 395 N 0.61 0.64 -0.09 1.25 4.81 -1.16 0.33 114.58 120.96 3brw h GLU 395 Ca 0.10 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3brw h GLU 395 Cb 0.59 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3brw h GLU 395 CO 0.04 0.82 -0.03 1.15 -0.73 0.00 0.00 179.01 180.26 3brw h THR 396 N 0.56 1.30 -0.30 0.32 2.02 -1.36 -1.26 112.91 114.19 3brw h THR 396 Ca 0.08 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.34 3brw h THR 396 Cb 0.71 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.84 3brw h THR 396 CO 0.05 0.28 -0.04 0.25 0.37 0.00 0.00 175.52 176.43 3brw h LEU 397 N -0.16 -0.20 -0.36 2.58 5.85 -0.98 -1.56 115.31 120.47 3brw h LEU 397 Ca 0.02 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3brw h LEU 397 Cb 0.45 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3brw h LEU 397 CO 0.01 -0.07 0.12 0.22 -0.34 0.00 0.00 178.44 178.38 3brw h TYR 398 N 0.04 0.21 -0.12 1.25 5.03 -0.28 -1.49 116.97 121.60 3brw h TYR 398 Ca 0.14 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.42 3brw h TYR 398 Cb 0.21 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 3brw h TYR 398 CO -0.26 0.08 -0.18 0.93 -1.32 0.00 0.00 178.16 177.41 3brw h GLU 399 N 0.26 0.20 0.24 1.82 4.39 -0.94 -1.54 114.58 119.00 3brw h GLU 399 Ca 0.16 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3brw h GLU 399 Cb 0.15 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3brw h GLU 399 CO -0.18 0.38 -0.11 0.93 -1.16 0.00 0.00 179.01 178.87 3brw h GLU 400 N 0.19 -0.31 -0.43 2.33 4.39 -0.55 -2.44 114.58 117.76 3brw h GLU 400 Ca 0.03 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 3brw h GLU 400 Cb 0.44 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3brw h GLU 400 CO 0.03 -0.08 0.02 -0.07 -1.16 0.00 0.00 179.01 177.74 3brw h LEU 401 N -0.49 0.65 -0.02 1.33 3.38 -1.03 -2.37 115.31 116.76 3brw h LEU 401 Ca -0.03 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3brw h LEU 401 Cb 0.36 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.95 3brw h LEU 401 CO 0.05 0.71 -0.53 -0.74 0.09 0.00 0.00 178.44 178.03 3brw h HIS 402 N 0.65 0.57 -0.37 1.13 2.76 -1.33 -2.01 115.15 116.53 3brw h HIS 402 Ca 0.13 -0.30 0.03 0.00 -2.20 0.00 0.00 60.37 58.04 3brw h HIS 402 Cb 0.38 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 3brw h HIS 402 CO 0.02 1.10 0.18 0.82 -1.30 0.00 0.00 177.93 178.75 3brw h ILE 403 N -0.13 0.98 -0.02 6.26 1.08 -1.39 -1.70 117.51 122.59 3brw h ILE 403 Ca -0.06 -0.13 -0.17 0.00 -0.39 0.00 0.00 64.86 64.11 3brw h ILE 403 Cb 1.23 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3brw h ILE 403 CO 0.10 0.07 -0.75 0.45 -0.69 0.00 0.00 178.15 177.33 3brw h HIS 404 N 0.38 0.21 -0.38 1.37 3.86 -1.50 -1.57 115.15 117.51 3brw h HIS 404 Ca 0.16 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 3brw h HIS 404 Cb 0.07 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3brw h HIS 404 CO -0.10 0.84 -0.26 0.77 0.86 0.00 0.00 177.93 180.05 3brw h SER 405 N 0.10 0.80 0.36 2.45 0.02 -1.26 -2.88 113.55 113.14 3brw h SER 405 Ca -0.02 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3brw h SER 405 Cb 1.32 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3brw h SER 405 CO 0.11 1.02 -0.23 1.56 -1.14 0.00 0.00 176.83 178.15 3brw h GLN 406 N 0.67 -0.53 0.00 3.45 1.08 -1.09 -2.83 115.11 115.85 3brw h GLN 406 Ca 0.09 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3brw h GLN 406 Cb 0.78 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3brw h GLN 406 CO 0.06 -0.36 0.00 -1.13 -0.95 0.00 0.00 178.83 176.46 3brw n SER 407 N -3.72 0.00 0.03 1.46 3.41 -0.61 0.52 113.62 114.71 3brw n SER 407 Ca -0.07 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.65 3brw n SER 407 Cb 0.23 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 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 -0.65 0.55 -0.11 4.33 0.00 -1.07 -3.86 117.12 116.30 3brw n MET 408 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 57.70 57.70 3brw n MET 408 Cb 0.00 -1.63 0.11 0.00 0.00 0.00 0.00 33.22 31.70 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 -2.31 2.05 -2.15 2.12 2.81 0.18 -5.03 117.12 114.80 3brw n MET 409 Ca -0.01 -1.70 -0.03 0.00 -1.81 0.00 0.00 57.70 54.15 3brw n MET 409 Cb 0.53 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 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 0.47 -0.97 2.72 3.03 0.00 -0.95 -5.08 105.19 104.41 3brw n GLY 410 Ca 0.09 0.50 -0.20 0.00 0.00 0.00 0.00 46.02 46.42 3brw n GLY 410 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3brw s LEU 411 N -1.87 -0.05 0.00 0.99 2.01 -1.23 -4.94 118.68 113.59 3brw s LEU 411 Ca 0.11 -0.63 0.00 0.00 0.01 0.00 0.00 54.13 53.62 3brw s LEU 411 Cb -0.03 0.31 0.00 0.00 0.01 0.00 0.00 46.19 46.48 3brw s LEU 411 CO 0.36 -0.37 0.00 0.61 1.01 0.00 0.00 176.35 177.96 3brw n GLY 412 N 5.30 4.46 0.00 -3.19 0.00 -1.26 -3.88 105.19 106.62 3brw n GLY 412 Ca -0.04 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.45 3brw n GLY 412 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3brw n GLY 413 N 0.00 -0.10 0.38 -0.02 0.00 -1.26 -5.16 105.19 99.03 3brw n GLY 413 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3brw n GLY 413 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54