#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gbj s VAL 6 N 0.00 2.63 -0.08 -0.18 1.01 -1.26 -0.16 120.40 122.35 3gbj s VAL 6 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3gbj s VAL 6 Cb 0.00 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 3gbj s VAL 6 CO 0.00 0.53 -0.23 -0.75 0.00 0.00 0.00 175.10 174.65 3gbj s LYS 7 N 0.54 2.72 -0.05 2.72 2.20 0.87 -4.99 119.74 123.76 3gbj s LYS 7 Ca -0.11 -0.83 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3gbj s LYS 7 Cb -0.16 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3gbj s LYS 7 CO 0.04 0.22 -0.15 0.08 -0.36 0.00 0.00 175.35 175.18 3gbj s VAL 8 N 0.22 1.31 0.08 4.02 1.01 -1.26 -0.65 120.40 125.12 3gbj s VAL 8 Ca -0.14 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3gbj s VAL 8 Cb -0.16 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3gbj s VAL 8 CO 0.07 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.45 3gbj s ALA 9 N 0.32 1.03 -0.05 5.51 0.00 0.17 -1.36 121.76 127.38 3gbj s ALA 9 Ca -0.09 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3gbj s ALA 9 Cb -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3gbj s ALA 9 CO 0.03 0.01 -0.17 0.08 0.00 0.00 0.00 175.76 175.72 3gbj s VAL 10 N -2.01 2.84 -0.10 0.00 1.01 -0.95 -0.04 120.40 121.16 3gbj s VAL 10 Ca 0.01 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3gbj s VAL 10 Cb -0.06 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.23 3gbj s VAL 10 CO 0.01 0.58 -0.24 -0.60 0.00 0.00 0.00 175.10 174.85 3gbj s ARG 11 N -0.57 2.96 -0.28 2.72 3.52 0.32 0.00 118.95 127.63 3gbj s ARG 11 Ca 0.08 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 3gbj s ARG 11 Cb -0.11 -2.25 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 3gbj s ARG 11 CO 0.01 0.18 0.08 0.42 -0.81 0.00 0.00 175.30 175.19 3gbj s ILE 12 N 0.33 4.17 0.70 4.11 1.01 -0.29 -0.67 121.20 130.55 3gbj s ILE 12 Ca -0.18 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3gbj s ILE 12 Cb -0.18 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.28 3gbj s ILE 12 CO 0.08 0.20 1.04 0.00 0.00 0.00 0.00 174.94 176.27 3gbj s ARG 13 N 1.56 2.44 0.77 2.79 1.70 -1.01 -1.15 118.95 126.05 3gbj s ARG 13 Ca 0.05 0.03 -0.12 0.00 -0.47 0.00 0.00 55.73 55.22 3gbj s ARG 13 Cb -0.16 -2.11 0.06 0.00 -0.57 0.00 0.00 34.95 32.17 3gbj s ARG 13 CO 0.03 -1.16 1.11 -2.14 -1.08 0.00 0.00 175.30 172.06 3gbj s PRO 14 N -5.29 2.14 0.28 3.89 0.02 -1.23 -4.31 135.00 130.51 3gbj s PRO 14 Ca 0.59 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 3gbj s PRO 14 Cb -0.11 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 3gbj s PRO 14 CO 0.47 -1.75 1.43 -1.33 -0.33 0.00 0.00 177.00 175.49 3gbj n MET 15 N -3.39 2.25 -1.52 5.54 2.81 -1.26 -4.80 117.12 116.75 3gbj n MET 15 Ca 0.10 0.80 -0.22 0.00 -1.81 0.00 0.00 57.70 56.57 3gbj n MET 15 Cb 0.52 -2.47 0.15 0.00 -0.71 0.00 0.00 33.22 30.71 3gbj n MET 15 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3gbj n ASN 16 N 1.75 0.17 -0.01 7.83 0.23 -1.26 -4.81 115.26 119.16 3gbj n ASN 16 Ca 0.09 -1.42 -0.11 0.00 -0.53 0.00 0.00 54.58 52.60 3gbj n ASN 16 Cb 0.34 -0.75 -0.06 0.00 -2.08 0.00 0.00 39.78 37.23 3gbj n ASN 16 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 3gbj h ARG 17 N 0.00 0.15 -0.25 -3.83 9.65 -1.99 -0.75 114.38 117.35 3gbj h ARG 17 Ca -0.32 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.54 3gbj h ARG 17 Cb 0.91 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 3gbj h ARG 17 CO 0.24 0.21 0.15 -0.09 2.80 0.00 0.00 179.97 183.28 3gbj h ARG 18 N 0.04 0.34 -0.97 0.20 9.65 -1.99 0.26 114.38 121.92 3gbj h ARG 18 Ca 0.04 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.92 3gbj h ARG 18 Cb 0.11 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.57 3gbj h ARG 18 CO -0.00 0.27 0.63 0.93 2.80 0.00 0.00 179.97 184.60 3gbj h GLU 19 N 0.32 1.18 0.28 0.20 5.08 -1.90 0.04 114.58 119.78 3gbj h GLU 19 Ca 0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3gbj h GLU 19 Cb 0.02 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.00 3gbj h GLU 19 CO -0.02 0.78 -0.14 1.15 -1.00 0.00 0.00 179.01 179.79 3gbj h THR 20 N 1.22 0.76 -0.63 1.13 2.02 -0.69 -0.85 112.91 115.87 3gbj h THR 20 Ca 0.39 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.28 3gbj h THR 20 Cb 0.01 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3gbj h THR 20 CO -0.13 0.07 0.33 0.44 0.37 0.00 0.00 175.52 176.61 3gbj h ASP 21 N -0.56 0.48 0.17 4.18 3.32 -0.67 -2.46 116.42 120.88 3gbj h ASP 21 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gbj h ASP 21 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gbj h ASP 21 CO 0.06 0.31 -0.05 0.18 -1.72 0.00 0.00 179.24 178.03 3gbj n LEU 22 N -4.83 0.58 -2.18 1.55 4.77 -0.02 -4.89 117.00 111.98 3gbj n LEU 22 Ca 0.07 -0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.74 3gbj n LEU 22 Cb 0.17 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3gbj n LEU 22 CO 0.28 0.10 -0.25 1.41 -1.33 0.00 0.00 177.39 177.61 3gbj n HIS 23 N -0.70 -0.78 -1.60 -1.77 8.25 -0.74 -4.88 115.22 113.00 3gbj n HIS 23 Ca 0.18 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 57.13 3gbj n HIS 23 Cb 0.25 -3.82 -0.06 0.00 1.12 0.00 0.00 29.99 27.48 3gbj n HIS 23 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3gbj n THR 24 N -3.69 0.05 -2.07 1.59 -1.04 -0.40 -4.84 114.28 103.88 3gbj n THR 24 Ca -0.24 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 3gbj n THR 24 Cb 0.68 -0.90 -0.02 0.00 -1.82 0.00 0.00 70.33 68.28 3gbj n THR 24 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3gbj s LYS 25 N 0.48 4.32 0.01 -2.82 2.36 -1.26 -4.75 119.74 118.07 3gbj s LYS 25 Ca 0.83 2.26 -0.30 0.00 -2.55 0.00 0.00 55.97 56.21 3gbj s LYS 25 Cb -0.92 -3.07 -0.04 0.00 -1.05 0.00 0.00 37.83 32.75 3gbj s LYS 25 CO 0.46 -0.27 1.11 0.00 1.55 0.00 0.00 175.35 178.20 3gbj n VAL 27 N 4.08 0.26 -3.89 0.00 0.24 0.56 -4.87 118.33 114.71 3gbj n VAL 27 Ca 0.08 -0.63 -0.35 0.00 -2.04 0.00 0.00 64.34 61.40 3gbj n VAL 27 Cb 0.48 0.96 -0.14 0.00 -1.47 0.00 0.00 33.84 33.68 3gbj n VAL 27 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gbj s VAL 28 N -0.63 3.18 0.23 3.34 1.01 -1.17 -0.21 120.40 126.16 3gbj s VAL 28 Ca 0.08 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.11 3gbj s VAL 28 Cb 0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3gbj s VAL 28 CO 0.08 0.09 0.07 -1.81 0.00 0.00 0.00 175.10 173.53 3gbj s ASP 29 N 1.35 4.99 -0.02 3.32 1.01 -0.06 -4.98 116.67 122.28 3gbj s ASP 29 Ca -0.01 -0.42 0.04 0.00 0.71 0.00 0.00 52.55 52.88 3gbj s ASP 29 Cb -0.18 -1.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.63 3gbj s ASP 29 CO -0.02 0.01 -0.16 -0.69 0.21 0.00 0.00 175.17 174.53 3gbj s VAL 30 N -2.09 1.26 -0.28 -1.27 1.01 -1.26 -0.55 120.40 117.21 3gbj s VAL 30 Ca 0.31 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 3gbj s VAL 30 Cb -0.08 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.33 3gbj s VAL 30 CO 0.22 0.36 0.13 -0.62 0.00 0.00 0.00 175.10 175.18 3gbj s ASP 31 N -0.17 3.50 1.97 3.32 2.15 0.15 -4.98 116.67 122.61 3gbj s ASP 31 Ca 0.02 -1.27 0.00 0.00 0.43 0.00 0.00 52.55 51.73 3gbj s ASP 31 Cb -0.08 -0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 3gbj s ASP 31 CO 0.00 -0.43 0.00 0.00 -0.17 0.00 0.00 175.17 174.57 3gbj n ALA 32 N 5.23 0.00 -0.33 3.66 0.00 -1.26 -0.85 120.51 126.96 3gbj n ALA 32 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 3gbj n ALA 32 Cb 0.42 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.17 3gbj n ALA 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gbj n ASN 33 N 7.64 4.34 -4.56 0.00 6.94 -1.26 -4.46 115.26 123.90 3gbj n ASN 33 Ca 0.00 -2.60 -0.34 0.00 -0.02 0.00 0.00 54.58 51.62 3gbj n ASN 33 Cb 0.00 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 36.70 3gbj n ASN 33 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3gbj s LYS 34 N -2.18 3.33 -0.21 -3.83 1.02 -0.03 -1.27 119.74 116.57 3gbj s LYS 34 Ca 0.40 -0.50 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 3gbj s LYS 34 Cb 0.30 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 3gbj s LYS 34 CO 0.14 0.44 0.04 0.08 -0.92 0.00 0.00 175.35 175.12 3gbj s VAL 35 N -0.17 4.35 -0.23 3.17 1.01 0.13 -0.67 120.40 127.99 3gbj s VAL 35 Ca 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3gbj s VAL 35 Cb -0.13 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3gbj s VAL 35 CO 0.02 0.41 0.03 -0.63 0.00 0.00 0.00 175.10 174.93 3gbj s ILE 36 N 0.95 4.02 -0.41 2.22 1.09 0.29 -0.70 121.20 128.66 3gbj s ILE 36 Ca 0.03 -0.28 -0.12 0.00 -1.10 0.00 0.00 60.65 59.18 3gbj s ILE 36 Cb -0.14 -2.86 0.05 0.00 -1.06 0.00 0.00 42.46 38.45 3gbj s ILE 36 CO 0.02 0.38 0.27 -0.22 -0.10 0.00 0.00 174.94 175.29 3gbj s LEU 37 N 1.45 5.06 0.42 2.97 2.96 0.28 -0.88 118.68 130.94 3gbj s LEU 37 Ca 0.05 -1.17 -0.17 0.00 -0.22 0.00 0.00 54.13 52.63 3gbj s LEU 37 Cb -0.15 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.39 3gbj s LEU 37 CO 0.02 -0.48 0.88 0.20 -1.32 0.00 0.00 176.35 175.64 3gbj s ASN 38 N 1.91 6.75 0.73 3.68 0.01 0.71 -1.50 114.94 127.22 3gbj s ASN 38 Ca 0.03 1.47 -0.13 0.00 -0.71 0.00 0.00 52.86 53.51 3gbj s ASN 38 Cb -0.21 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.03 3gbj s ASN 38 CO 0.06 -0.39 1.13 -2.84 -1.51 0.00 0.00 177.10 173.55 3gbj s PRO 39 N -3.47 2.36 0.00 -0.60 0.02 -1.26 -4.82 135.00 127.22 3gbj s PRO 39 Ca 0.57 1.42 0.16 0.00 0.02 0.00 0.00 61.00 63.17 3gbj s PRO 39 Cb -0.10 -1.89 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 3gbj s PRO 39 CO 0.22 -1.60 0.79 1.33 -0.33 0.00 0.00 177.00 177.41 3gbj n VAL 40 N -2.93 0.00 0.00 3.83 0.24 -1.26 -5.00 118.33 113.21 3gbj n VAL 40 Ca 0.11 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3gbj n VAL 40 Cb 0.52 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 3gbj n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gbj n GLY 51 N 1.20 3.00 3.10 7.63 0.00 -1.26 -5.21 105.19 113.65 3gbj n GLY 51 Ca 0.05 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 3gbj n GLY 51 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gbj s GLN 52 N -4.19 0.63 0.33 1.61 -1.52 -1.26 -5.13 119.66 110.13 3gbj s GLN 52 Ca 0.00 -0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 3gbj s GLN 52 Cb 0.00 -0.44 -0.11 0.00 -0.22 0.00 0.00 33.01 32.24 3gbj s GLN 52 CO 0.00 0.08 1.57 -2.14 -0.25 0.00 0.00 175.29 174.55 3gbj s PRO 53 N -1.75 4.10 0.03 2.91 0.02 -1.26 -4.48 135.00 134.57 3gbj s PRO 53 Ca -0.07 2.60 0.04 0.00 0.02 0.00 0.00 61.00 63.60 3gbj s PRO 53 Cb -0.09 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.40 3gbj s PRO 53 CO 0.01 -0.62 -0.08 0.15 -0.33 0.00 0.00 177.00 176.13 3gbj s LYS 54 N -1.07 2.44 -0.05 5.54 1.02 -0.56 -4.97 119.74 122.09 3gbj s LYS 54 Ca 0.60 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.85 3gbj s LYS 54 Cb -0.48 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3gbj s LYS 54 CO 0.54 0.58 -0.24 0.08 -0.92 0.00 0.00 175.35 175.39 3gbj s VAL 55 N -1.05 2.18 0.02 3.17 1.01 -1.26 -0.56 120.40 123.92 3gbj s VAL 55 Ca 0.18 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3gbj s VAL 55 Cb -0.11 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3gbj s VAL 55 CO 0.09 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.25 3gbj s PHE 56 N -0.29 1.31 -0.00 5.22 0.08 0.12 -4.98 117.98 119.44 3gbj s PHE 56 Ca 0.00 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.82 3gbj s PHE 56 Cb -0.13 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.50 3gbj s PHE 56 CO 0.02 0.02 -0.25 0.00 -0.10 0.00 0.00 175.22 174.91 3gbj s ALA 57 N -0.67 2.22 0.37 5.36 0.00 -1.26 0.23 121.76 128.01 3gbj s ALA 57 Ca 0.04 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.89 3gbj s ALA 57 Cb -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 3gbj s ALA 57 CO 0.01 0.53 0.21 0.71 0.00 0.00 0.00 175.76 177.22 3gbj s TYR 58 N -0.68 1.77 0.24 0.00 2.02 -0.39 -4.95 117.35 115.36 3gbj s TYR 58 Ca 0.11 -1.51 0.03 0.00 -0.37 0.00 0.00 57.07 55.33 3gbj s TYR 58 Cb -0.10 -0.92 0.26 0.00 -0.40 0.00 0.00 41.96 40.80 3gbj s TYR 58 CO 0.00 -0.62 1.58 -0.44 -1.57 0.00 0.00 175.55 174.50 3gbj h ASP 59 N 1.94 0.34 -4.99 2.29 5.19 -1.51 -3.45 116.42 116.22 3gbj h ASP 59 Ca -0.29 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 55.80 3gbj h ASP 59 Cb 1.25 -0.10 -0.20 0.00 0.18 0.00 0.00 39.33 40.46 3gbj h ASP 59 CO 0.45 0.82 -0.46 -1.00 -3.12 0.00 0.00 179.24 175.93 3gbj s HIS 60 N -3.88 0.02 -0.18 4.55 3.76 -1.18 -4.98 115.29 113.39 3gbj s HIS 60 Ca -0.05 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 3gbj s HIS 60 Cb 0.12 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.81 3gbj s HIS 60 CO 0.80 -0.31 -0.14 0.00 -0.85 0.00 0.00 174.74 174.24 3gbj s PHE 62 N 1.37 3.16 -0.44 0.00 0.08 0.10 -4.97 117.98 117.28 3gbj s PHE 62 Ca 0.01 -1.05 -0.25 0.00 0.12 0.00 0.00 56.93 55.76 3gbj s PHE 62 Cb -0.15 -3.70 0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3gbj s PHE 62 CO -0.10 -1.05 0.90 -0.46 -0.10 0.00 0.00 175.22 174.42 3gbj s TRP 63 N 2.00 2.96 -0.24 0.36 -0.00 -1.26 -1.14 118.94 121.61 3gbj s TRP 63 Ca 0.07 0.41 0.12 0.00 -0.00 0.00 0.00 56.10 56.69 3gbj s TRP 63 Cb -0.26 -3.87 0.45 0.00 -0.00 0.00 0.00 33.47 29.79 3gbj s TRP 63 CO 0.05 -1.04 1.19 0.43 -0.00 0.00 0.00 176.95 177.59 3gbj n SER 64 N 7.03 3.28 0.05 5.86 7.64 -0.30 -0.07 113.62 137.10 3gbj n SER 64 Ca 0.06 -3.46 -0.10 0.00 1.01 0.00 0.00 58.87 56.38 3gbj n SER 64 Cb 0.48 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 63.14 3gbj n SER 64 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3gbj h MET 65 N 1.79 0.06 -1.56 1.43 2.86 -1.79 -3.25 114.93 114.48 3gbj h MET 65 Ca 0.15 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 3gbj h MET 65 Cb 1.37 0.04 -0.27 0.00 0.06 0.00 0.00 31.60 32.80 3gbj h MET 65 CO 0.41 0.93 -0.44 0.34 1.06 0.00 0.00 176.91 179.21 3gbj s ASP 66 N -6.66 -0.25 0.56 1.22 -1.08 -1.26 -4.43 116.67 104.77 3gbj s ASP 66 Ca -0.02 0.17 0.26 0.00 -0.52 0.00 0.00 52.55 52.44 3gbj s ASP 66 Cb 0.09 1.43 1.54 0.00 -1.46 0.00 0.00 42.92 44.51 3gbj s ASP 66 CO 0.83 -0.31 2.09 1.05 0.52 0.00 0.00 175.17 179.35 3gbj h GLU 67 N 8.12 0.00 0.00 4.34 4.11 -1.97 -2.07 114.58 127.11 3gbj h GLU 67 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3gbj h GLU 67 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gbj h GLU 67 CO 0.25 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.99 3gbj h SER 68 N 0.00 0.00 -1.59 3.06 4.64 -2.01 -3.38 113.55 114.28 3gbj h SER 68 Ca 0.11 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.71 3gbj h SER 68 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.47 3gbj h SER 68 CO -0.00 0.00 1.76 0.52 -0.87 0.00 0.00 176.83 178.24 3gbj n VAL 69 N -2.96 4.13 -0.25 0.95 0.31 -0.78 -4.87 118.33 114.86 3gbj n VAL 69 Ca 0.01 -4.43 0.01 0.00 -0.01 0.00 0.00 64.34 59.92 3gbj n VAL 69 Cb 0.32 -2.42 0.13 0.00 -0.91 0.00 0.00 33.84 30.96 3gbj n VAL 69 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3gbj h LYS 70 N 7.13 0.60 0.00 5.55 -0.00 -1.86 -0.54 116.57 127.46 3gbj h LYS 70 Ca 0.38 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.99 3gbj h LYS 70 Cb 0.84 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.94 3gbj h LYS 70 CO 1.37 0.40 0.00 -0.85 -0.00 0.00 0.00 179.45 180.37 3gbj n GLU 71 N -4.85 0.06 0.00 0.07 0.00 -1.26 -3.89 120.64 110.77 3gbj n GLU 71 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 57.16 57.67 3gbj n GLU 71 Cb 0.26 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 30.07 3gbj n GLU 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3gbj n LYS 72 N -1.74 2.03 -2.10 3.44 4.81 -0.35 -5.04 118.16 119.21 3gbj n LYS 72 Ca 0.02 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 3gbj n LYS 72 Cb 0.12 -0.86 -0.03 0.00 0.02 0.00 0.00 35.03 34.28 3gbj n LYS 72 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3gbj s TYR 73 N -1.72 2.60 -0.37 5.64 6.14 -0.36 -4.39 117.35 124.90 3gbj s TYR 73 Ca 0.00 0.58 -0.13 0.00 0.64 0.00 0.00 57.07 58.16 3gbj s TYR 73 Cb 0.00 -3.79 0.01 0.00 0.42 0.00 0.00 41.96 38.59 3gbj s TYR 73 CO 0.00 -3.09 0.24 0.00 0.64 0.00 0.00 175.55 173.34 3gbj s ALA 74 N 2.69 3.41 0.76 3.97 0.00 0.90 -4.99 121.76 128.50 3gbj s ALA 74 Ca 0.68 -1.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 3gbj s ALA 74 Cb -0.34 -2.68 0.12 0.00 0.00 0.00 0.00 23.12 20.21 3gbj s ALA 74 CO 0.29 -1.21 0.74 0.41 0.00 0.00 0.00 175.76 175.98 3gbj n GLY 75 N 5.08 -0.10 0.35 0.00 0.00 -1.26 -4.49 105.19 104.77 3gbj n GLY 75 Ca -0.12 -1.89 0.06 0.00 0.00 0.00 0.00 46.02 44.07 3gbj n GLY 75 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gbj h GLN 76 N 0.00 0.71 -0.58 1.61 1.08 -1.95 -2.29 115.11 113.69 3gbj h GLN 76 Ca -0.24 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 56.85 3gbj h GLN 76 Cb 0.79 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 3gbj h GLN 76 CO 0.22 0.47 0.10 0.38 -0.95 0.00 0.00 178.83 179.05 3gbj h ASP 77 N 0.74 0.92 -0.57 1.46 -0.00 -1.93 -2.17 116.42 114.86 3gbj h ASP 77 Ca 0.28 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 57.02 3gbj h ASP 77 Cb 0.19 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 39.25 3gbj h ASP 77 CO -0.09 0.94 0.23 0.40 -0.00 0.00 0.00 179.24 180.73 3gbj h ILE 78 N 0.86 1.22 -0.39 4.15 1.08 -1.79 -0.20 117.51 122.44 3gbj h ILE 78 Ca 0.18 -0.69 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3gbj h ILE 78 Cb 0.41 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3gbj h ILE 78 CO 0.01 0.27 0.23 0.58 -0.69 0.00 0.00 178.15 178.55 3gbj h VAL 79 N 0.79 1.13 -0.42 1.67 2.07 -1.24 -1.29 116.25 118.96 3gbj h VAL 79 Ca 0.19 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3gbj h VAL 79 Cb 0.20 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3gbj h VAL 79 CO -0.02 0.13 0.00 0.15 0.02 0.00 0.00 177.57 177.86 3gbj h PHE 80 N 0.52 0.81 -0.47 1.57 3.57 -1.22 -1.16 116.94 120.55 3gbj h PHE 80 Ca 0.14 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3gbj h PHE 80 Cb 0.01 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 3gbj h PHE 80 CO -0.03 0.80 0.17 0.87 -2.23 0.00 0.00 178.31 177.89 3gbj h LYS 81 N 0.58 0.33 0.00 1.11 6.56 -0.76 0.43 116.57 124.81 3gbj h LYS 81 Ca 0.12 -0.02 -0.17 0.00 -1.06 0.00 0.00 60.65 59.52 3gbj h LYS 81 Cb 0.48 -0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 3gbj h LYS 81 CO 0.02 0.22 -0.80 0.00 -2.06 0.00 0.00 179.45 176.83 3gbj n LEU 83 N -3.30 2.36 -0.03 0.00 4.77 -0.46 -4.84 117.00 115.50 3gbj n LEU 83 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 3gbj n LEU 83 Cb 0.86 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.84 3gbj n LEU 83 CO 0.44 0.39 0.45 1.23 -1.33 0.00 0.00 177.39 178.58 3gbj h GLY 84 N 0.00 0.21 0.82 -0.72 0.00 -0.26 -3.21 103.07 99.90 3gbj h GLY 84 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.06 3gbj h GLY 84 CO 0.00 0.28 0.45 1.05 0.00 0.00 0.00 176.54 178.32 3gbj h GLU 85 N -0.42 0.84 -0.45 4.80 9.09 -1.40 -1.06 114.58 125.97 3gbj h GLU 85 Ca -0.02 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.26 3gbj h GLU 85 Cb 0.90 -0.19 -0.02 0.00 -1.65 0.00 0.00 28.75 27.80 3gbj h GLU 85 CO 0.04 0.56 -0.03 -0.97 0.05 0.00 0.00 179.01 178.66 3gbj h ASN 86 N 0.87 0.81 -0.77 3.06 -0.73 -1.83 -1.78 115.58 115.22 3gbj h ASN 86 Ca 0.30 -0.32 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 3gbj h ASN 86 Cb 0.06 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.40 3gbj h ASN 86 CO -0.13 0.94 0.39 0.40 -0.37 0.00 0.00 177.43 178.66 3gbj h ILE 87 N 0.66 1.24 -0.64 2.57 1.08 -1.44 -1.25 117.51 119.74 3gbj h ILE 87 Ca 0.12 -0.66 -0.09 0.00 -0.39 0.00 0.00 64.86 63.84 3gbj h ILE 87 Cb 0.54 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3gbj h ILE 87 CO 0.03 0.28 0.05 0.25 -0.69 0.00 0.00 178.15 178.07 3gbj h LEU 88 N 1.11 1.07 -0.49 1.44 5.85 -0.99 -2.91 115.31 120.39 3gbj h LEU 88 Ca 0.27 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3gbj h LEU 88 Cb 0.09 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3gbj h LEU 88 CO -0.04 1.09 0.27 -0.61 -0.34 0.00 0.00 178.44 178.82 3gbj h GLN 89 N 1.02 0.52 -0.94 1.25 5.75 -0.70 -2.40 115.11 119.61 3gbj h GLN 89 Ca 0.19 -0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.84 3gbj h GLN 89 Cb 0.51 -0.12 -0.10 0.00 1.07 0.00 0.00 27.48 28.84 3gbj h GLN 89 CO 0.02 0.34 0.53 -0.97 -2.65 0.00 0.00 178.83 176.11 3gbj h ASN 90 N 0.54 0.66 -0.51 -0.69 -1.24 -1.06 0.52 115.58 113.80 3gbj h ASN 90 Ca 0.20 0.10 -0.05 0.00 0.71 0.00 0.00 56.30 57.26 3gbj h ASN 90 Cb 0.06 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 3gbj h ASN 90 CO -0.11 0.23 0.11 0.00 -1.29 0.00 0.00 177.43 176.36 3gbj h ALA 91 N 1.62 0.67 0.00 1.57 0.00 -1.34 -1.88 119.26 119.91 3gbj h ALA 91 Ca 0.54 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 3gbj h ALA 91 Cb 0.83 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3gbj h ALA 91 CO -0.39 0.38 -0.19 0.74 0.00 0.00 0.00 179.25 179.80 3gbj h PHE 92 N 0.71 0.00 0.00 0.00 -1.00 -0.99 -1.26 116.94 114.40 3gbj h PHE 92 Ca 0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.94 3gbj h PHE 92 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 3gbj h PHE 92 CO 0.02 0.19 0.00 -0.25 -1.61 0.00 0.00 178.31 176.66 3gbj n ASP 93 N -3.84 0.02 0.00 2.17 8.00 0.06 -4.90 116.55 118.06 3gbj n ASP 93 Ca -0.02 0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.99 3gbj n ASP 93 Cb 0.28 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3gbj n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gbj n GLY 94 N 0.68 0.83 3.77 0.44 0.00 -0.48 -4.99 105.19 105.45 3gbj n GLY 94 Ca 0.05 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3gbj n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gbj s TYR 95 N -2.00 2.17 0.08 1.61 2.02 -0.83 -4.50 117.35 115.91 3gbj s TYR 95 Ca 0.00 -0.75 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 3gbj s TYR 95 Cb 0.00 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3gbj s TYR 95 CO 0.00 0.07 0.12 -0.80 -1.57 0.00 0.00 175.55 173.36 3gbj s ASN 96 N -3.97 5.73 0.14 2.29 0.01 -1.26 -2.94 114.94 114.94 3gbj s ASN 96 Ca 0.29 0.05 -0.13 0.00 -0.71 0.00 0.00 52.86 52.36 3gbj s ASN 96 Cb 0.02 -1.59 0.01 0.00 0.41 0.00 0.00 41.25 40.11 3gbj s ASN 96 CO 0.17 0.16 0.35 0.00 -1.51 0.00 0.00 177.10 176.26 3gbj s ALA 97 N -1.44 -0.55 0.00 0.60 0.00 0.32 -1.70 121.76 118.99 3gbj s ALA 97 Ca 0.31 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.88 3gbj s ALA 97 Cb -0.12 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3gbj s ALA 97 CO 0.24 -0.64 -0.06 0.00 0.00 0.00 0.00 175.76 175.30 3gbj s ILE 99 N -0.32 2.25 -0.09 0.00 1.01 -0.63 -0.99 121.20 122.44 3gbj s ILE 99 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.73 3gbj s ILE 99 Cb -0.03 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3gbj s ILE 99 CO -0.00 0.55 -0.15 -0.36 0.00 0.00 0.00 174.94 174.98 3gbj s PHE 100 N 0.37 2.73 -0.26 3.97 0.40 0.15 -0.66 117.98 124.69 3gbj s PHE 100 Ca -0.17 -0.46 -0.08 0.00 -0.60 0.00 0.00 56.93 55.62 3gbj s PHE 100 Cb -0.17 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 3gbj s PHE 100 CO 0.08 -0.05 0.10 0.00 0.70 0.00 0.00 175.22 176.04 3gbj s ALA 101 N -0.14 3.24 0.03 5.36 0.00 -0.49 -0.38 121.76 129.38 3gbj s ALA 101 Ca -0.01 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.89 3gbj s ALA 101 Cb -0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.78 3gbj s ALA 101 CO 0.03 -0.52 -0.24 -0.47 0.00 0.00 0.00 175.76 174.57 3gbj s TYR 102 N 1.65 2.10 0.00 0.00 6.14 -0.14 -2.41 117.35 124.68 3gbj s TYR 102 Ca 0.06 -0.40 0.00 0.00 0.64 0.00 0.00 57.07 57.38 3gbj s TYR 102 Cb -0.15 -1.28 0.00 0.00 0.42 0.00 0.00 41.96 40.95 3gbj s TYR 102 CO 0.05 0.07 0.00 0.41 0.64 0.00 0.00 175.55 176.72 3gbj n GLY 103 N 2.00 1.01 3.76 8.97 0.00 -1.26 -0.09 105.19 119.59 3gbj n GLY 103 Ca -0.17 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3gbj n GLY 103 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gbj s GLN 104 N -1.63 3.77 0.07 1.61 0.74 -1.26 -1.82 119.66 121.14 3gbj s GLN 104 Ca 0.00 2.14 -0.37 0.00 0.05 0.00 0.00 55.36 57.19 3gbj s GLN 104 Cb 0.00 -2.61 -0.16 0.00 1.10 0.00 0.00 33.01 31.33 3gbj s GLN 104 CO 0.00 -0.65 1.39 2.41 -0.55 0.00 0.00 175.29 177.88 3gbj n THR 105 N -0.19 0.02 -0.23 -0.34 -1.04 -1.26 -1.14 114.28 110.11 3gbj n THR 105 Ca 0.05 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3gbj n THR 105 Cb 0.44 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 3gbj n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gbj n GLY 106 N 2.70 0.87 0.16 3.41 0.00 -1.26 -4.93 105.19 106.14 3gbj n GLY 106 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3gbj n GLY 106 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gbj h SER 107 N 0.00 0.00 0.00 1.61 4.64 -1.47 -3.47 113.55 114.86 3gbj h SER 107 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gbj h SER 107 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gbj h SER 107 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3gbj n GLY 108 N 1.17 1.91 0.24 -0.77 0.00 -1.26 -4.13 105.19 102.35 3gbj n GLY 108 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3gbj n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gbj h LYS 109 N 0.00 -0.38 -0.37 1.61 1.57 -1.91 -1.80 116.57 115.28 3gbj h LYS 109 Ca 0.00 0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3gbj h LYS 109 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3gbj h LYS 109 CO 0.00 -0.26 -0.30 0.77 -0.57 0.00 0.00 179.45 179.09 3gbj h SER 110 N -0.40 0.90 -0.98 0.86 0.02 -1.96 -0.61 113.55 111.39 3gbj h SER 110 Ca 0.01 -0.45 0.14 0.00 -0.84 0.00 0.00 61.79 60.66 3gbj h SER 110 Cb 0.40 -0.25 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 3gbj h SER 110 CO -0.08 1.16 0.62 0.22 -1.14 0.00 0.00 176.83 177.61 3gbj h TYR 111 N 0.66 1.05 0.04 3.45 3.20 -1.87 0.10 116.97 123.60 3gbj h TYR 111 Ca 0.07 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.80 3gbj h TYR 111 Cb 0.88 -0.33 0.02 0.00 1.54 0.00 0.00 36.73 38.84 3gbj h TYR 111 CO 0.06 0.37 -0.70 1.15 -1.64 0.00 0.00 178.16 177.41 3gbj h THR 112 N 0.88 1.44 -0.02 1.81 2.02 -0.82 -2.49 112.91 115.73 3gbj h THR 112 Ca 0.50 -2.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.34 3gbj h THR 112 Cb 0.63 2.76 0.01 0.00 -1.74 0.00 0.00 68.15 69.81 3gbj h THR 112 CO -0.27 0.64 -0.46 0.24 0.37 0.00 0.00 175.52 176.04 3gbj h MET 113 N -0.15 0.35 0.00 6.66 2.86 -0.93 -0.91 114.93 122.81 3gbj h MET 113 Ca -0.10 -0.35 -0.16 0.00 -2.06 0.00 0.00 59.70 57.04 3gbj h MET 113 Cb 1.44 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 33.16 3gbj h MET 113 CO 0.14 1.02 -1.58 -0.12 1.06 0.00 0.00 176.91 177.42 3gbj n MET 114 N -4.33 0.25 -0.01 1.72 0.00 0.16 -0.59 117.12 114.32 3gbj n MET 114 Ca -0.10 0.07 0.00 0.00 -0.00 0.00 0.00 57.70 57.67 3gbj n MET 114 Cb 0.60 -1.15 -0.00 0.00 0.00 0.00 0.00 33.22 32.67 3gbj n MET 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gbj n GLY 115 N 2.90 -2.04 3.94 -5.12 0.00 -0.08 -0.86 105.19 103.93 3gbj n GLY 115 Ca -0.19 -1.41 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 3gbj n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gbj s THR 116 N -0.08 1.69 0.17 2.61 -4.23 -0.58 -4.75 115.64 110.46 3gbj s THR 116 Ca 0.00 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 3gbj s THR 116 Cb 0.00 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.83 3gbj s THR 116 CO 0.00 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 175.91 3gbj h ALA 117 N 0.58 0.65 0.00 3.99 0.00 -2.00 -2.60 119.26 119.88 3gbj h ALA 117 Ca -0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3gbj h ALA 117 Cb 1.30 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3gbj h ALA 117 CO 0.53 0.08 -0.11 -0.44 0.00 0.00 0.00 179.25 179.31 3gbj h ASP 118 N 0.68 0.00 -2.13 0.00 3.32 -2.01 -3.40 116.42 112.88 3gbj h ASP 118 Ca 0.19 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.66 3gbj h ASP 118 Cb -0.06 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.08 3gbj h ASP 118 CO -0.05 0.06 -0.88 0.00 -1.72 0.00 0.00 179.24 176.65 3gbj n GLN 119 N -3.09 1.43 -1.74 3.56 1.13 -1.01 -5.10 117.38 112.55 3gbj n GLN 119 Ca 0.04 -3.82 -0.42 0.00 -1.94 0.00 0.00 57.00 50.85 3gbj n GLN 119 Cb 0.56 -1.67 -0.00 0.00 0.11 0.00 0.00 30.24 29.23 3gbj n GLN 119 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3gbj n PRO 120 N 1.28 2.42 0.00 -1.09 -0.02 -1.05 -1.53 135.00 135.01 3gbj n PRO 120 Ca 0.25 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 3gbj n PRO 120 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3gbj n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gbj n GLY 121 N 0.69 1.18 0.20 -1.23 0.00 -0.04 -4.84 105.19 101.16 3gbj n GLY 121 Ca 0.03 -1.82 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 3gbj n GLY 121 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gbj h LEU 122 N 0.00 0.32 -0.02 0.99 3.38 -0.81 -2.95 115.31 116.23 3gbj h LEU 122 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gbj h LEU 122 Cb 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3gbj h LEU 122 CO 0.00 0.22 -0.00 0.40 0.09 0.00 0.00 178.44 179.15 3gbj h ILE 123 N 0.46 1.25 -0.77 1.22 2.04 -1.12 0.20 117.51 120.79 3gbj h ILE 123 Ca 0.22 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3gbj h ILE 123 Cb 0.16 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 3gbj h ILE 123 CO -0.17 0.20 0.48 -0.65 0.00 0.00 0.00 178.15 178.01 3gbj h PRO 124 N -0.28 0.88 -0.46 2.37 0.11 -1.79 -0.61 132.00 132.22 3gbj h PRO 124 Ca 0.01 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3gbj h PRO 124 Cb 0.32 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3gbj h PRO 124 CO 0.00 0.58 -0.05 0.00 -0.21 0.00 0.00 178.00 178.33 3gbj h ARG 125 N 0.91 0.85 -0.34 1.05 3.08 -1.31 -0.75 114.38 117.87 3gbj h ARG 125 Ca 0.32 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3gbj h ARG 125 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gbj h ARG 125 CO -0.14 0.92 0.18 1.25 -1.07 0.00 0.00 179.97 181.11 3gbj h LEU 126 N 0.69 0.43 -0.98 3.04 6.46 -0.31 0.46 115.31 125.11 3gbj h LEU 126 Ca 0.12 -0.11 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 3gbj h LEU 126 Cb 0.57 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 3gbj h LEU 126 CO 0.03 0.42 0.03 0.00 -0.62 0.00 0.00 178.44 178.30 3gbj h SER 128 N 0.73 0.45 -0.79 0.00 0.87 -0.79 -2.69 113.55 111.32 3gbj h SER 128 Ca 0.15 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 3gbj h SER 128 Cb 0.40 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3gbj h SER 128 CO 0.01 0.82 0.46 1.23 -0.53 0.00 0.00 176.83 178.82 3gbj h GLY 129 N 0.09 1.17 0.90 5.77 0.00 -0.63 -0.83 103.07 109.54 3gbj h GLY 129 Ca 0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3gbj h GLY 129 CO 0.04 0.48 0.01 -2.00 0.00 0.00 0.00 176.54 175.07 3gbj h LEU 130 N 1.11 0.02 -0.85 3.11 6.46 -0.60 -1.68 115.31 122.88 3gbj h LEU 130 Ca 0.29 -0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.87 3gbj h LEU 130 Cb -0.02 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.90 3gbj h LEU 130 CO -0.05 0.12 -0.33 -0.26 -0.62 0.00 0.00 178.44 177.30 3gbj h PHE 131 N -0.08 0.00 -0.25 1.25 0.04 -1.33 -1.53 116.94 115.05 3gbj h PHE 131 Ca 0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3gbj h PHE 131 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3gbj h PHE 131 CO -0.04 0.33 0.13 1.49 -0.60 0.00 0.00 178.31 179.62 3gbj h GLU 132 N 0.00 0.35 -0.17 1.51 4.81 -0.89 -2.77 114.58 117.41 3gbj h GLU 132 Ca -0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 3gbj h GLU 132 Cb 0.92 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3gbj h GLU 132 CO 0.04 0.32 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.25 3gbj h ARG 133 N 0.29 0.50 -0.16 1.92 2.43 -1.02 -2.46 114.38 115.88 3gbj h ARG 133 Ca 0.09 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 3gbj h ARG 133 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3gbj h ARG 133 CO -0.01 0.91 -0.10 1.79 -1.51 0.00 0.00 179.97 181.05 3gbj h THR 134 N 0.13 1.16 0.01 0.20 1.35 -1.36 -0.13 112.91 114.27 3gbj h THR 134 Ca 0.01 -0.71 -0.20 0.00 -0.55 0.00 0.00 66.41 64.97 3gbj h THR 134 Cb 0.88 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 3gbj h THR 134 CO 0.07 0.22 -0.91 1.56 -0.25 0.00 0.00 175.52 176.21 3gbj h GLN 135 N 0.24 0.08 -0.03 4.72 4.20 -1.52 0.03 115.11 122.82 3gbj h GLN 135 Ca 0.05 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 3gbj h GLN 135 Cb 0.33 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3gbj h GLN 135 CO 0.02 0.93 -0.68 -0.22 -0.67 0.00 0.00 178.83 178.21 3gbj h LYS 136 N 0.04 0.15 0.00 1.46 1.63 -1.00 -3.34 116.57 115.50 3gbj h LYS 136 Ca -0.03 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.52 3gbj h LYS 136 Cb 1.57 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.20 3gbj h LYS 136 CO 0.13 0.77 -1.71 0.39 -3.45 0.00 0.00 179.45 175.58 3gbj n GLU 137 N -3.79 0.64 -1.75 1.90 1.02 -0.10 -4.96 120.64 113.60 3gbj n GLU 137 Ca -0.02 0.04 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 3gbj n GLU 137 Cb 0.67 -1.67 0.03 0.00 -0.02 0.00 0.00 31.44 30.44 3gbj n GLU 137 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3gbj n GLU 138 N -2.65 2.03 -0.47 3.49 0.28 -0.01 -4.82 120.64 118.48 3gbj n GLU 138 Ca -0.11 0.73 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 3gbj n GLU 138 Cb 0.78 -2.59 0.00 0.00 1.43 0.00 0.00 31.44 31.06 3gbj n GLU 138 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3gbj n ASN 139 N -0.43 0.00 -0.33 -1.84 0.23 -0.44 -4.95 115.26 107.49 3gbj n ASN 139 Ca 0.07 -0.36 -0.03 0.00 -0.53 0.00 0.00 54.58 53.74 3gbj n ASN 139 Cb 0.42 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.24 3gbj n ASN 139 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gbj h GLU 140 N 0.00 1.24 0.00 -3.83 -0.00 -2.02 -2.84 114.58 107.13 3gbj h GLU 140 Ca 0.00 -0.12 -0.09 0.00 -0.00 0.00 0.00 59.36 59.15 3gbj h GLU 140 Cb 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 28.75 28.48 3gbj h GLU 140 CO 0.00 0.88 -1.08 1.05 -0.00 0.00 0.00 179.01 179.85 3gbj h GLU 141 N 1.26 0.00 -5.01 1.06 -0.00 -1.94 -3.46 114.58 106.49 3gbj h GLU 141 Ca 0.33 0.00 -0.66 0.00 -0.00 0.00 0.00 59.36 59.02 3gbj h GLU 141 Cb -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 28.75 28.40 3gbj h GLU 141 CO -0.06 0.19 -0.77 1.14 -0.00 0.00 0.00 179.01 179.50 3gbj s GLN 142 N -3.11 3.21 0.09 1.06 0.00 -1.07 -0.56 119.66 119.28 3gbj s GLN 142 Ca -0.01 -0.72 0.08 0.00 -0.00 0.00 0.00 55.36 54.72 3gbj s GLN 142 Cb 0.09 -2.85 -0.03 0.00 0.00 0.00 0.00 33.01 30.21 3gbj s GLN 142 CO 0.79 -0.21 -0.22 0.45 0.00 0.00 0.00 175.29 176.10 3gbj s SER 143 N 1.40 2.64 -0.03 12.60 0.15 -0.41 -1.33 113.70 128.72 3gbj s SER 143 Ca 0.05 -0.66 0.04 0.00 0.70 0.00 0.00 55.95 56.08 3gbj s SER 143 Cb -0.14 -0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.00 3gbj s SER 143 CO -0.07 0.10 -0.14 -0.36 1.20 0.00 0.00 173.24 173.97 3gbj s PHE 144 N -1.06 1.39 -0.04 3.44 0.08 -1.26 0.07 117.98 120.60 3gbj s PHE 144 Ca 0.08 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 56.83 3gbj s PHE 144 Cb -0.10 -0.95 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3gbj s PHE 144 CO 0.04 -0.13 -0.25 0.21 -0.10 0.00 0.00 175.22 174.99 3gbj s LYS 145 N 0.07 2.30 -0.13 0.44 2.20 0.63 -4.98 119.74 120.27 3gbj s LYS 145 Ca -0.03 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 3gbj s LYS 145 Cb -0.10 -2.08 0.02 0.00 -1.51 0.00 0.00 37.83 34.16 3gbj s LYS 145 CO 0.01 0.47 -0.11 0.08 -0.36 0.00 0.00 175.35 175.44 3gbj s VAL 146 N -0.39 1.32 0.00 4.02 1.01 -1.26 -0.09 120.40 125.01 3gbj s VAL 146 Ca 0.03 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3gbj s VAL 146 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3gbj s VAL 146 CO 0.01 0.42 -0.25 -1.61 0.00 0.00 0.00 175.10 173.67 3gbj s GLU 147 N 1.52 1.89 0.01 2.72 2.02 -0.53 -0.76 118.70 125.58 3gbj s GLU 147 Ca 0.04 -0.94 0.08 0.00 0.02 0.00 0.00 54.97 54.17 3gbj s GLU 147 Cb -0.13 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 3gbj s GLU 147 CO -0.09 0.51 -0.24 0.08 0.02 0.00 0.00 175.26 175.55 3gbj s VAL 148 N -0.65 1.91 0.08 2.63 1.01 0.12 -0.35 120.40 125.16 3gbj s VAL 148 Ca 0.10 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.98 3gbj s VAL 148 Cb -0.09 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3gbj s VAL 148 CO -0.00 0.44 -0.11 -0.44 0.00 0.00 0.00 175.10 174.99 3gbj s SER 149 N -0.81 1.45 -0.18 3.32 0.01 0.32 -1.00 113.70 116.81 3gbj s SER 149 Ca 0.10 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.62 3gbj s SER 149 Cb -0.09 -0.01 0.08 0.00 0.21 0.00 0.00 66.02 66.21 3gbj s SER 149 CO 0.00 -0.18 0.20 -0.47 0.41 0.00 0.00 173.24 173.20 3gbj s TYR 150 N -1.84 -0.22 0.12 2.43 5.04 -1.26 0.50 117.35 122.12 3gbj s TYR 150 Ca 0.00 0.27 0.05 0.00 -2.44 0.00 0.00 57.07 54.95 3gbj s TYR 150 Cb -0.07 -0.36 -0.04 0.00 0.35 0.00 0.00 41.96 41.84 3gbj s TYR 150 CO 0.01 -0.52 -0.12 0.00 -1.34 0.00 0.00 175.55 173.58 3gbj s MET 151 N 2.31 0.98 -0.12 4.97 0.23 -0.21 -0.50 119.30 126.95 3gbj s MET 151 Ca 0.05 -1.26 0.02 0.00 -1.03 0.00 0.00 55.69 53.47 3gbj s MET 151 Cb -0.15 -0.72 -0.00 0.00 -1.53 0.00 0.00 34.83 32.43 3gbj s MET 151 CO -0.10 0.12 -0.20 -2.00 -2.03 0.00 0.00 175.02 170.81 3gbj s GLU 152 N -2.96 3.15 -0.27 3.16 2.12 -0.34 0.33 118.70 123.88 3gbj s GLU 152 Ca 0.10 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.51 3gbj s GLU 152 Cb -0.03 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.88 3gbj s GLU 152 CO 0.02 0.14 0.17 0.42 -0.54 0.00 0.00 175.26 175.47 3gbj s ILE 153 N 0.47 5.21 -0.06 -3.70 1.01 0.12 -1.41 121.20 122.84 3gbj s ILE 153 Ca -0.14 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 3gbj s ILE 153 Cb -0.17 -3.47 0.03 0.00 0.01 0.00 0.00 42.46 38.86 3gbj s ILE 153 CO 0.06 0.28 0.01 -0.47 0.00 0.00 0.00 174.94 174.82 3gbj s TYR 154 N 1.59 0.51 -1.61 3.97 5.04 0.83 -0.44 117.35 127.23 3gbj s TYR 154 Ca 0.07 -0.06 -0.10 0.00 -2.44 0.00 0.00 57.07 54.54 3gbj s TYR 154 Cb -0.15 -0.70 0.09 0.00 0.35 0.00 0.00 41.96 41.55 3gbj s TYR 154 CO 0.09 -0.28 0.52 0.27 -1.34 0.00 0.00 175.55 174.81 3gbj n ASN 155 N 5.09 -1.48 0.00 4.32 6.94 -1.26 -0.29 115.26 128.58 3gbj n ASN 155 Ca -0.08 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 3gbj n ASN 155 Cb 0.50 -2.51 0.00 0.00 -2.36 0.00 0.00 39.78 35.41 3gbj n ASN 155 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3gbj n GLU 156 N -4.39 -0.43 -3.72 -3.83 1.02 -1.26 -4.99 120.64 103.05 3gbj n GLU 156 Ca -0.11 0.11 -0.35 0.00 -0.02 0.00 0.00 57.16 56.78 3gbj n GLU 156 Cb 0.58 -3.75 -0.05 0.00 -0.02 0.00 0.00 31.44 28.20 3gbj n GLU 156 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gbj s LYS 157 N -0.74 3.63 -0.09 3.49 -0.14 0.60 -4.98 119.74 121.52 3gbj s LYS 157 Ca 0.00 0.02 0.02 0.00 -1.36 0.00 0.00 55.97 54.65 3gbj s LYS 157 Cb 0.00 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 3gbj s LYS 157 CO 0.00 0.66 -0.15 0.08 -0.76 0.00 0.00 175.35 175.18 3gbj s VAL 158 N -1.24 2.93 0.09 3.17 1.01 -1.26 -0.12 120.40 124.98 3gbj s VAL 158 Ca 0.26 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3gbj s VAL 158 Cb -0.14 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3gbj s VAL 158 CO 0.14 0.56 -0.08 0.00 0.00 0.00 0.00 175.10 175.71 3gbj s ARG 159 N -0.12 0.79 -0.49 2.72 1.70 -0.50 -1.09 118.95 121.96 3gbj s ARG 159 Ca -0.02 -1.18 -0.22 0.00 -0.47 0.00 0.00 55.73 53.85 3gbj s ARG 159 Cb -0.14 -0.35 0.04 0.00 -0.57 0.00 0.00 34.95 33.94 3gbj s ARG 159 CO 0.04 0.03 0.75 0.34 -1.08 0.00 0.00 175.30 175.38 3gbj s ASP 160 N -2.59 6.31 0.59 -2.89 3.68 -1.26 -1.20 116.67 119.31 3gbj s ASP 160 Ca 0.06 -0.47 0.36 0.00 2.13 0.00 0.00 52.55 54.63 3gbj s ASP 160 Cb -0.00 -2.36 1.75 0.00 -1.45 0.00 0.00 42.92 40.86 3gbj s ASP 160 CO -0.02 -0.97 2.14 -0.07 0.13 0.00 0.00 175.17 176.38 3gbj h LEU 161 N 10.16 0.00 -0.88 -1.34 3.38 -1.13 -2.37 115.31 123.12 3gbj h LEU 161 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gbj h LEU 161 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gbj h LEU 161 CO 0.98 0.03 0.00 0.18 0.09 0.00 0.00 178.44 179.72 3gbj n LEU 162 N -3.20 1.34 -4.40 1.67 4.77 -1.24 -3.96 117.00 111.98 3gbj n LEU 162 Ca -0.01 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 3gbj n LEU 162 Cb 0.21 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3gbj n LEU 162 CO 0.25 0.25 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.81 3gbj s ASP 163 N -1.79 5.84 0.62 -1.43 3.68 -0.89 -4.96 116.67 117.72 3gbj s ASP 163 Ca 0.36 -0.97 0.36 0.00 2.13 0.00 0.00 52.55 54.43 3gbj s ASP 163 Cb 0.19 -2.06 2.03 0.00 -1.45 0.00 0.00 42.92 41.63 3gbj s ASP 163 CO 0.30 -0.40 2.28 1.55 0.13 0.00 0.00 175.17 179.02 3gbj h PRO 164 N 8.49 0.00 -0.58 4.34 0.13 -1.86 -1.30 132.00 141.23 3gbj h PRO 164 Ca -0.26 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.47 3gbj h PRO 164 Cb 1.11 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 3gbj h PRO 164 CO 0.68 0.01 -0.40 1.63 -0.23 0.00 0.00 178.00 179.69 3gbj n LYS 165 N -3.45 2.80 -0.36 0.86 4.01 -1.26 -4.72 118.16 116.04 3gbj n LYS 165 Ca -0.03 -3.72 0.08 0.00 -0.51 0.00 0.00 58.31 54.13 3gbj n LYS 165 Cb 0.11 -2.08 0.23 0.00 -0.51 0.00 0.00 35.03 32.78 3gbj n LYS 165 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3gbj n GLY 166 N -0.89 3.78 0.29 0.72 0.00 -0.49 -4.73 105.19 103.87 3gbj n GLY 166 Ca 0.40 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.58 3gbj n GLY 166 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gbj h SER 167 N 1.75 0.33 -0.23 1.61 4.64 -1.85 -1.69 113.55 118.12 3gbj h SER 167 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gbj h SER 167 Cb 1.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3gbj h SER 167 CO 0.16 0.27 0.00 0.54 -0.87 0.00 0.00 176.83 176.93 3gbj n ARG 168 N -4.46 2.06 -2.39 4.77 1.74 -1.26 -4.99 116.66 112.12 3gbj n ARG 168 Ca 0.01 -1.93 -0.37 0.00 -0.77 0.00 0.00 57.85 54.79 3gbj n ARG 168 Cb 0.10 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3gbj n ARG 168 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3gbj s GLN 169 N -1.40 3.93 -0.23 5.56 -1.52 -0.63 -5.03 119.66 120.34 3gbj s GLN 169 Ca 0.29 1.64 -0.01 0.00 -1.95 0.00 0.00 55.36 55.32 3gbj s GLN 169 Cb 0.18 -2.44 0.07 0.00 -0.22 0.00 0.00 33.01 30.59 3gbj s GLN 169 CO 0.25 -0.37 0.02 -0.08 -0.25 0.00 0.00 175.29 174.86 3gbj s THR 170 N -1.62 0.89 0.02 -0.19 -1.32 -1.26 -4.49 115.64 107.66 3gbj s THR 170 Ca 0.61 -0.92 -0.19 0.00 -1.21 0.00 0.00 61.69 59.99 3gbj s THR 170 Cb -0.25 -1.38 -0.06 0.00 -1.51 0.00 0.00 72.50 69.30 3gbj s THR 170 CO 0.31 -0.27 0.54 -0.76 -2.21 0.00 0.00 174.62 172.23 3gbj s LEU 171 N 1.68 4.46 -0.02 9.08 1.43 -0.25 -4.96 118.68 130.09 3gbj s LEU 171 Ca -0.00 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.94 3gbj s LEU 171 Cb -0.18 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.17 3gbj s LEU 171 CO -0.11 0.20 1.30 -0.75 0.23 0.00 0.00 176.35 177.22 3gbj s LYS 172 N -0.65 4.32 -0.19 1.70 2.36 -1.26 -4.45 119.74 121.57 3gbj s LYS 172 Ca 0.28 1.82 -0.22 0.00 -2.55 0.00 0.00 55.97 55.30 3gbj s LYS 172 Cb -0.18 -3.55 -0.02 0.00 -1.05 0.00 0.00 37.83 33.02 3gbj s LYS 172 CO 0.17 -0.50 0.69 0.08 1.55 0.00 0.00 175.35 177.34 3gbj s VAL 173 N 2.24 4.98 0.19 4.02 1.01 -1.26 -0.70 120.40 130.89 3gbj s VAL 173 Ca 0.60 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.96 3gbj s VAL 173 Cb -0.28 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3gbj s VAL 173 CO 0.24 0.09 -0.10 -0.13 0.00 0.00 0.00 175.10 175.20 3gbj s ARG 174 N 1.95 1.25 -0.17 2.72 0.52 -0.50 -4.96 118.95 119.76 3gbj s ARG 174 Ca 0.32 -1.57 -0.02 0.00 -0.52 0.00 0.00 55.73 53.94 3gbj s ARG 174 Cb -0.16 -0.88 0.05 0.00 0.52 0.00 0.00 34.95 34.48 3gbj s ARG 174 CO 0.11 0.10 0.02 -2.00 0.02 0.00 0.00 175.30 173.55 3gbj s GLU 175 N -3.72 0.70 -0.01 3.54 2.12 -1.26 -0.30 118.70 119.78 3gbj s GLU 175 Ca 0.22 -0.32 0.12 0.00 0.36 0.00 0.00 54.97 55.35 3gbj s GLU 175 Cb 0.02 -1.87 -0.15 0.00 0.26 0.00 0.00 34.13 32.39 3gbj s GLU 175 CO 0.05 -0.55 0.42 0.72 -0.54 0.00 0.00 175.26 175.36 3gbj n HIS 176 N 5.06 0.00 -4.51 5.30 8.25 -1.26 -5.00 115.22 123.06 3gbj n HIS 176 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 3gbj n HIS 176 Cb 0.48 -0.11 -0.14 0.00 1.12 0.00 0.00 29.99 31.34 3gbj n HIS 176 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gbj s SER 177 N -2.62 2.06 0.22 0.41 0.15 -1.26 -5.02 113.70 107.63 3gbj s SER 177 Ca 0.01 -0.48 0.22 0.00 0.70 0.00 0.00 55.95 56.40 3gbj s SER 177 Cb 0.09 -0.16 0.92 0.00 -1.71 0.00 0.00 66.02 65.16 3gbj s SER 177 CO 0.50 0.10 1.66 1.33 1.20 0.00 0.00 173.24 178.03 3gbj n VAL 178 N 1.91 0.89 -0.25 4.45 0.24 -1.26 -2.48 118.33 121.83 3gbj n VAL 178 Ca -0.17 0.27 0.05 0.00 -2.04 0.00 0.00 64.34 62.45 3gbj n VAL 178 Cb 0.54 -1.18 0.30 0.00 -1.47 0.00 0.00 33.84 32.02 3gbj n VAL 178 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3gbj h LEU 179 N 0.00 0.79 0.00 1.34 4.07 -2.02 -3.48 115.31 116.00 3gbj h LEU 179 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3gbj h LEU 179 Cb 0.31 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3gbj h LEU 179 CO 0.00 0.50 0.00 0.61 -1.08 0.00 0.00 178.44 178.47 3gbj n GLY 180 N -1.42 3.09 3.72 0.83 0.00 -1.03 -4.10 105.19 106.27 3gbj n GLY 180 Ca 0.12 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 3gbj n GLY 180 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gbj s PRO 181 N -2.20 0.73 0.15 1.61 0.04 -1.26 -4.52 135.00 129.55 3gbj s PRO 181 Ca 0.00 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.50 3gbj s PRO 181 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 3gbj s PRO 181 CO 0.00 -2.51 0.01 1.52 0.04 0.00 0.00 177.00 176.06 3gbj s TYR 182 N -3.07 1.08 -0.34 0.56 1.13 0.59 -4.86 117.35 112.44 3gbj s TYR 182 Ca 0.65 -1.07 -0.13 0.00 -1.41 0.00 0.00 57.07 55.11 3gbj s TYR 182 Cb -0.17 -0.62 -0.01 0.00 -1.10 0.00 0.00 41.96 40.06 3gbj s TYR 182 CO 0.56 -0.30 0.24 0.08 -2.51 0.00 0.00 175.55 173.62 3gbj s VAL 183 N -3.77 5.25 -0.17 -3.49 1.01 -1.26 -1.41 120.40 116.56 3gbj s VAL 183 Ca 0.23 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3gbj s VAL 183 Cb 0.06 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 3gbj s VAL 183 CO 0.02 -0.02 1.47 -0.62 0.00 0.00 0.00 175.10 175.95 3gbj s ASP 184 N 1.71 6.67 0.00 3.32 2.15 0.13 -2.76 116.67 127.89 3gbj s ASP 184 Ca 0.06 1.74 0.00 0.00 0.43 0.00 0.00 52.55 54.78 3gbj s ASP 184 Cb -0.17 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3gbj s ASP 184 CO 0.10 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 174.71 3gbj n GLY 185 N 4.16 0.67 3.67 2.66 0.00 -1.26 -4.14 105.19 110.95 3gbj n GLY 185 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3gbj n GLY 185 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gbj s LEU 186 N 0.00 4.30 0.35 0.99 2.96 -1.11 -4.94 118.68 121.23 3gbj s LEU 186 Ca 0.00 2.14 -0.28 0.00 -0.22 0.00 0.00 54.13 55.77 3gbj s LEU 186 Cb 0.00 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 3gbj s LEU 186 CO 0.00 -0.85 1.27 -0.94 -1.32 0.00 0.00 176.35 174.51 3gbj s SER 187 N 2.71 6.71 -0.20 3.68 1.04 -1.26 -4.99 113.70 121.37 3gbj s SER 187 Ca 0.68 2.59 -0.04 0.00 0.48 0.00 0.00 55.95 59.67 3gbj s SER 187 Cb -0.32 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.23 3gbj s SER 187 CO 0.27 -0.57 0.08 -0.75 0.98 0.00 0.00 173.24 173.24 3gbj s LYS 188 N -1.91 0.34 -0.14 4.02 2.20 -1.26 -4.48 119.74 118.51 3gbj s LYS 188 Ca 0.51 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.76 3gbj s LYS 188 Cb -0.37 -1.85 -0.02 0.00 -1.51 0.00 0.00 37.83 34.07 3gbj s LYS 188 CO 0.49 -0.73 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.16 3gbj s LEU 189 N 2.00 3.03 0.15 5.43 1.43 -0.17 -4.83 118.68 125.72 3gbj s LEU 189 Ca 0.02 -0.21 -0.31 0.00 -1.03 0.00 0.00 54.13 52.61 3gbj s LEU 189 Cb -0.16 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 3gbj s LEU 189 CO -0.14 0.17 1.35 0.00 0.23 0.00 0.00 176.35 177.97 3gbj s ALA 190 N 0.32 3.56 0.03 4.21 0.00 -1.26 -0.70 121.76 127.91 3gbj s ALA 190 Ca -0.06 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.05 3gbj s ALA 190 Cb -0.15 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 3gbj s ALA 190 CO 0.04 -0.58 -0.14 0.14 0.00 0.00 0.00 175.76 175.23 3gbj s VAL 191 N 0.68 1.06 0.00 0.00 -7.23 0.06 -4.96 120.40 110.02 3gbj s VAL 191 Ca 0.61 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 3gbj s VAL 191 Cb -0.36 -0.95 0.00 0.00 0.56 0.00 0.00 36.38 35.63 3gbj s VAL 191 CO 0.34 0.07 0.66 0.35 -0.31 0.00 0.00 175.10 176.20 3gbj n THR 192 N 2.11 0.37 -3.44 5.32 -2.24 -1.26 -4.20 114.28 110.95 3gbj n THR 192 Ca -0.17 -0.64 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 3gbj n THR 192 Cb 0.55 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 3gbj n THR 192 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3gbj s SER 193 N -0.37 -0.56 0.21 3.42 1.04 -1.26 -5.04 113.70 111.14 3gbj s SER 193 Ca 0.00 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.31 3gbj s SER 193 Cb 0.00 0.60 0.27 0.00 0.10 0.00 0.00 66.02 66.99 3gbj s SER 193 CO 0.00 -0.98 1.77 0.22 0.98 0.00 0.00 173.24 175.22 3gbj h TYR 194 N 2.00 0.49 -0.71 5.02 3.20 -1.96 -2.41 116.97 122.62 3gbj h TYR 194 Ca -0.33 0.03 0.11 0.00 3.14 0.00 0.00 58.73 61.67 3gbj h TYR 194 Cb 1.31 -0.13 -0.08 0.00 1.54 0.00 0.00 36.73 39.37 3gbj h TYR 194 CO 0.24 0.17 0.32 0.87 -1.64 0.00 0.00 178.16 178.13 3gbj h LYS 195 N 0.50 0.52 -0.26 1.82 6.56 -1.98 0.51 116.57 124.23 3gbj h LYS 195 Ca 0.30 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.88 3gbj h LYS 195 Cb 0.32 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 3gbj h LYS 195 CO -0.26 0.34 0.13 -0.44 -2.06 0.00 0.00 179.45 177.16 3gbj h ASP 196 N 0.54 0.19 0.35 0.86 5.19 -1.85 -1.04 116.42 120.66 3gbj h ASP 196 Ca 0.36 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.66 3gbj h ASP 196 Cb 0.44 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3gbj h ASP 196 CO -0.31 0.15 -0.51 -0.29 -3.12 0.00 0.00 179.24 175.16 3gbj h ILE 197 N 0.28 1.36 -0.43 0.35 2.10 -0.93 -2.99 117.51 117.24 3gbj h ILE 197 Ca 0.11 -1.77 -0.07 0.00 1.08 0.00 0.00 64.86 64.21 3gbj h ILE 197 Cb 0.03 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 3gbj h ILE 197 CO -0.07 0.52 -0.02 -0.08 -1.08 0.00 0.00 178.15 177.42 3gbj h GLU 198 N 0.14 0.76 -0.50 2.19 4.81 0.44 -1.27 114.58 121.17 3gbj h GLU 198 Ca 0.00 -0.25 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3gbj h GLU 198 Cb 0.96 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3gbj h GLU 198 CO 0.08 0.85 0.33 0.77 -0.73 0.00 0.00 179.01 180.30 3gbj h SER 199 N 0.60 0.44 0.03 1.04 0.02 -1.06 -1.12 113.55 113.49 3gbj h SER 199 Ca 0.12 -0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.84 3gbj h SER 199 Cb 0.51 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.97 3gbj h SER 199 CO 0.03 0.30 -0.88 -0.07 -1.14 0.00 0.00 176.83 175.06 3gbj h LEU 200 N 0.51 0.73 -0.38 5.07 3.38 -1.33 -0.68 115.31 122.61 3gbj h LEU 200 Ca 0.21 -0.77 0.08 0.00 0.09 0.00 0.00 57.88 57.48 3gbj h LEU 200 Cb 0.18 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 3gbj h LEU 200 CO -0.05 1.41 -0.16 0.24 0.09 0.00 0.00 178.44 179.97 3gbj h MET 201 N 0.13 -0.09 -0.05 1.13 2.86 -0.89 0.21 114.93 118.24 3gbj h MET 201 Ca -0.12 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3gbj h MET 201 Cb 1.57 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.25 3gbj h MET 201 CO 0.17 -0.06 0.03 0.77 1.06 0.00 0.00 176.91 178.88 3gbj h SER 202 N -0.09 0.06 -0.57 1.22 0.02 -1.18 0.92 113.55 113.92 3gbj h SER 202 Ca 0.19 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3gbj h SER 202 Cb 0.38 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3gbj h SER 202 CO -0.44 0.08 0.32 -0.08 -1.14 0.00 0.00 176.83 175.57 3gbj h GLU 203 N 0.03 0.59 -0.34 3.45 4.81 -0.81 -1.52 114.58 120.79 3gbj h GLU 203 Ca 0.02 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3gbj h GLU 203 Cb 0.03 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3gbj h GLU 203 CO -0.00 0.39 0.04 0.78 -0.73 0.00 0.00 179.01 179.49 3gbj h GLY 204 N 0.61 0.62 1.16 1.92 0.00 -0.24 -1.40 103.07 105.75 3gbj h GLY 204 Ca 0.25 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3gbj h GLY 204 CO -0.15 0.39 0.35 3.43 0.00 0.00 0.00 176.54 180.56 3gbj h ASN 205 N 0.40 0.98 -0.28 0.19 2.35 -0.63 -2.06 115.58 116.52 3gbj h ASN 205 Ca 0.10 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3gbj h ASN 205 Cb 0.38 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3gbj h ASN 205 CO 0.01 0.84 0.13 0.11 -1.65 0.00 0.00 177.43 176.86 3gbj h LYS 206 N 1.07 0.41 -0.30 0.81 6.56 -1.10 -2.79 116.57 121.24 3gbj h LYS 206 Ca 0.26 -0.07 0.09 0.00 -1.06 0.00 0.00 60.65 59.87 3gbj h LYS 206 Cb 0.13 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 3gbj h LYS 206 CO -0.03 0.41 0.23 0.77 -2.06 0.00 0.00 179.45 178.77 3gbj h SER 207 N 0.32 0.00 -3.90 0.86 0.02 -0.71 -3.52 113.55 106.62 3gbj h SER 207 Ca 0.10 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.59 3gbj h SER 207 Cb 0.14 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.84 3gbj h SER 207 CO -0.01 0.00 0.20 -0.13 -1.14 0.00 0.00 176.83 175.75 3gbj s ARG 208 N -4.96 0.47 0.06 3.45 0.52 -0.83 -5.02 118.95 112.64 3gbj s ARG 208 Ca -0.05 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 3gbj s ARG 208 Cb 0.18 -1.74 0.00 0.00 0.52 0.00 0.00 34.95 33.91 3gbj s ARG 208 CO 0.68 -2.70 0.00 0.45 0.02 0.00 0.00 175.30 173.75 3gbj n SER 219 N -4.15 -0.51 0.08 0.23 2.88 -1.26 -5.09 113.62 105.80 3gbj n SER 219 Ca 0.05 0.48 0.12 0.00 -1.33 0.00 0.00 58.87 58.19 3gbj n SER 219 Cb 0.57 0.85 0.46 0.00 -0.75 0.00 0.00 64.21 65.34 3gbj n SER 219 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gbj n SER 220 N -2.92 0.54 -0.66 -3.46 3.41 -1.26 -3.24 113.62 106.03 3gbj n SER 220 Ca 0.00 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3gbj n SER 220 Cb 0.00 -0.72 0.19 0.00 -0.26 0.00 0.00 64.21 63.42 3gbj n SER 220 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gbj n ARG 221 N -2.04 2.77 -4.16 4.33 3.00 -1.26 0.00 116.66 119.30 3gbj n ARG 221 Ca 0.04 -2.43 -0.12 0.00 -0.01 0.00 0.00 57.85 55.34 3gbj n ARG 221 Cb 0.32 -1.54 -0.10 0.00 0.00 0.00 0.00 32.46 31.14 3gbj n ARG 221 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3gbj s SER 222 N -1.60 1.20 -0.06 0.55 1.04 -1.20 -4.67 113.70 108.96 3gbj s SER 222 Ca 0.31 -0.93 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 3gbj s SER 222 Cb 0.23 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3gbj s SER 222 CO 0.10 -0.40 0.36 -1.00 0.98 0.00 0.00 173.24 173.29 3gbj s HIS 223 N -3.19 3.64 -0.16 5.02 0.09 0.41 -2.91 115.29 118.19 3gbj s HIS 223 Ca 0.09 0.85 -0.01 0.00 -0.00 0.00 0.00 55.06 56.00 3gbj s HIS 223 Cb 0.02 -2.29 -0.01 0.00 -0.00 0.00 0.00 32.58 30.31 3gbj s HIS 223 CO -0.03 0.53 -0.12 0.00 -0.00 0.00 0.00 174.74 175.11 3gbj s ALA 224 N -0.59 2.60 -0.24 -1.40 0.00 -0.34 0.14 121.76 121.93 3gbj s ALA 224 Ca 0.22 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3gbj s ALA 224 Cb -0.15 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.68 3gbj s ALA 224 CO 0.10 -0.06 -0.11 0.08 0.00 0.00 0.00 175.76 175.77 3gbj s VAL 225 N 0.85 2.40 -0.35 0.00 1.01 0.15 -1.03 120.40 123.44 3gbj s VAL 225 Ca -0.04 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 3gbj s VAL 225 Cb -0.15 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3gbj s VAL 225 CO -0.00 0.18 0.35 0.12 0.00 0.00 0.00 175.10 175.75 3gbj s PHE 226 N 1.22 3.21 -0.13 5.22 5.36 0.11 -1.04 117.98 131.94 3gbj s PHE 226 Ca -0.02 -0.07 -0.00 0.00 -0.96 0.00 0.00 56.93 55.87 3gbj s PHE 226 Cb -0.17 -2.66 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 3gbj s PHE 226 CO -0.07 -0.44 -0.13 0.21 -1.46 0.00 0.00 175.22 173.33 3gbj s LYS 227 N 1.99 3.40 -0.02 10.12 2.20 0.18 -0.33 119.74 137.27 3gbj s LYS 227 Ca 0.11 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.11 3gbj s LYS 227 Cb -0.17 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3gbj s LYS 227 CO 0.12 0.21 -0.24 0.42 -0.36 0.00 0.00 175.35 175.50 3gbj s ILE 228 N 0.35 1.88 -0.19 5.43 1.01 0.18 -0.52 121.20 129.35 3gbj s ILE 228 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.54 3gbj s ILE 228 Cb -0.16 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 40.78 3gbj s ILE 228 CO 0.06 0.53 -0.13 -0.89 0.00 0.00 0.00 174.94 174.50 3gbj s THR 229 N -0.50 1.74 -0.33 2.92 2.01 0.53 -0.95 115.64 121.05 3gbj s THR 229 Ca 0.08 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 3gbj s THR 229 Cb -0.10 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.69 3gbj s THR 229 CO -0.00 0.30 0.19 -0.22 -0.69 0.00 0.00 174.62 174.20 3gbj s LEU 230 N 1.38 4.33 -0.29 4.42 2.96 -0.05 -1.45 118.68 129.98 3gbj s LEU 230 Ca 0.01 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 3gbj s LEU 230 Cb -0.15 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.52 3gbj s LEU 230 CO -0.10 -0.24 0.03 -0.89 -1.32 0.00 0.00 176.35 173.84 3gbj s THR 231 N 1.64 3.54 -0.26 3.68 2.01 0.86 -0.98 115.64 126.14 3gbj s THR 231 Ca 0.05 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 3gbj s THR 231 Cb -0.17 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3gbj s THR 231 CO 0.08 0.07 0.10 -2.28 -0.69 0.00 0.00 174.62 171.89 3gbj s HIS 232 N 1.42 3.12 -0.19 4.92 2.46 0.84 -0.27 115.29 127.58 3gbj s HIS 232 Ca 0.01 -0.31 -0.06 0.00 0.47 0.00 0.00 55.06 55.17 3gbj s HIS 232 Cb -0.17 -2.27 -0.03 0.00 -0.13 0.00 0.00 32.58 29.97 3gbj s HIS 232 CO 0.00 -0.32 0.03 0.99 -2.47 0.00 0.00 174.74 172.97 3gbj s THR 233 N 1.65 4.35 -0.18 0.89 2.01 0.11 -0.98 115.64 123.49 3gbj s THR 233 Ca 0.06 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.89 3gbj s THR 233 Cb -0.15 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3gbj s THR 233 CO 0.05 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.47 3gbj s LEU 234 N 0.70 2.16 -1.32 4.42 1.43 -1.26 -1.29 118.68 123.52 3gbj s LEU 234 Ca 0.01 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.31 3gbj s LEU 234 Cb -0.14 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.64 3gbj s LEU 234 CO 0.02 0.01 1.88 -1.22 0.23 0.00 0.00 176.35 177.27 3gbj n TYR 235 N 4.56 4.18 0.00 0.29 4.02 0.28 -4.72 117.16 125.77 3gbj n TYR 235 Ca -0.21 -2.75 0.00 0.00 -0.01 0.00 0.00 57.90 54.93 3gbj n TYR 235 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 39.34 37.23 3gbj n TYR 235 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gbj n GLY 243 N 5.08 2.18 3.09 2.72 0.00 -1.26 -4.94 105.19 112.06 3gbj n GLY 243 Ca 0.49 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 3gbj n GLY 243 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gbj s GLU 244 N -3.99 0.21 -0.13 1.61 2.12 -1.26 -4.42 118.70 112.85 3gbj s GLU 244 Ca 0.00 0.79 -0.03 0.00 0.36 0.00 0.00 54.97 56.09 3gbj s GLU 244 Cb 0.00 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.40 3gbj s GLU 244 CO 0.00 -0.25 -0.02 0.15 -0.54 0.00 0.00 175.26 174.60 3gbj s LYS 245 N 2.23 3.38 -0.10 4.30 1.02 -0.15 -4.97 119.74 125.45 3gbj s LYS 245 Ca -0.02 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.54 3gbj s LYS 245 Cb -0.12 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 3gbj s LYS 245 CO -0.10 0.44 -0.23 0.08 -0.92 0.00 0.00 175.35 174.63 3gbj s VAL 246 N -0.17 1.95 -0.07 3.17 1.01 -1.26 -0.11 120.40 124.92 3gbj s VAL 246 Ca 0.04 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3gbj s VAL 246 Cb -0.13 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3gbj s VAL 246 CO 0.02 0.54 -0.23 -0.83 0.00 0.00 0.00 175.10 174.60 3gbj s GLY 247 N 0.38 1.24 -0.09 4.51 0.00 -0.15 -3.80 107.32 109.40 3gbj s GLY 247 Ca -0.18 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3gbj s GLY 247 CO 0.08 -0.48 -0.12 0.54 0.00 0.00 0.00 173.10 173.12 3gbj s LYS 248 N 0.05 2.98 -0.08 2.90 3.01 -1.15 -0.87 119.74 126.58 3gbj s LYS 248 Ca -0.09 -0.67 0.03 0.00 -1.01 0.00 0.00 55.97 54.23 3gbj s LYS 248 Cb -0.15 -2.54 0.01 0.00 -1.01 0.00 0.00 37.83 34.14 3gbj s LYS 248 CO 0.05 0.43 -0.17 -0.51 0.51 0.00 0.00 175.35 175.66 3gbj s LEU 249 N -0.21 1.83 -0.21 3.17 1.43 -0.13 -0.52 118.68 124.04 3gbj s LEU 249 Ca 0.01 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3gbj s LEU 249 Cb -0.13 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.06 3gbj s LEU 249 CO 0.03 0.08 -0.12 -0.44 0.23 0.00 0.00 176.35 176.14 3gbj s SER 250 N 0.55 3.59 -0.34 2.29 0.01 -0.55 -0.64 113.70 118.60 3gbj s SER 250 Ca -0.16 -0.97 -0.10 0.00 1.31 0.00 0.00 55.95 56.03 3gbj s SER 250 Cb -0.17 -1.33 0.01 0.00 0.21 0.00 0.00 66.02 64.75 3gbj s SER 250 CO 0.06 -0.14 0.18 -0.76 0.41 0.00 0.00 173.24 172.99 3gbj s LEU 251 N 1.32 4.42 -0.16 2.44 1.43 0.55 -1.61 118.68 127.07 3gbj s LEU 251 Ca -0.02 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 3gbj s LEU 251 Cb -0.17 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3gbj s LEU 251 CO -0.08 -0.29 -0.17 -0.69 0.23 0.00 0.00 176.35 175.35 3gbj s VAL 252 N 1.58 2.52 -0.51 -1.59 1.01 0.17 -0.71 120.40 122.87 3gbj s VAL 252 Ca 0.03 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3gbj s VAL 252 Cb -0.18 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.25 3gbj s VAL 252 CO 0.06 0.52 0.45 -0.62 0.00 0.00 0.00 175.10 175.51 3gbj s ASP 253 N 0.87 6.12 0.73 3.32 -1.08 -0.19 -1.40 116.67 125.03 3gbj s ASP 253 Ca -0.05 -1.65 -0.11 0.00 -0.52 0.00 0.00 52.55 50.22 3gbj s ASP 253 Cb -0.15 -2.18 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 3gbj s ASP 253 CO -0.01 -0.77 1.07 -0.76 0.52 0.00 0.00 175.17 175.22 3gbj s LEU 254 N 1.59 2.99 0.56 -1.34 1.43 -1.01 -1.20 118.68 121.69 3gbj s LEU 254 Ca 0.04 1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 54.50 3gbj s LEU 254 Cb -0.28 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.53 3gbj s LEU 254 CO 0.04 -1.64 1.20 0.00 0.23 0.00 0.00 176.35 176.18 3gbj n ALA 255 N -3.25 0.98 -1.64 4.21 0.00 -1.15 -4.81 120.51 114.85 3gbj n ALA 255 Ca 0.08 0.09 -0.44 0.00 0.00 0.00 0.00 53.44 53.17 3gbj n ALA 255 Cb 0.54 -2.25 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 3gbj n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gbj n GLY 256 N 0.97 0.22 0.01 0.00 0.00 0.10 -4.68 105.19 101.81 3gbj n GLY 256 Ca 0.12 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.61 3gbj n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gbj n SER 257 N 1.19 0.46 -4.70 1.61 3.41 -0.75 -4.85 113.62 109.99 3gbj n SER 257 Ca 0.08 -0.19 -0.33 0.00 -0.26 0.00 0.00 58.87 58.17 3gbj n SER 257 Cb 0.33 0.16 0.13 0.00 -0.26 0.00 0.00 64.21 64.57 3gbj n SER 257 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3gbj s GLU 258 N -2.98 1.57 -0.49 4.33 1.03 -1.26 -4.94 118.70 115.97 3gbj s GLU 258 Ca 0.12 1.73 -0.28 0.00 0.03 0.00 0.00 54.97 56.56 3gbj s GLU 258 Cb 0.18 -1.77 0.00 0.00 -0.80 0.00 0.00 34.13 31.74 3gbj s GLU 258 CO 0.67 -2.26 1.52 -0.98 -1.33 0.00 0.00 175.26 172.89 3gbj s ARG 259 N -4.21 3.31 0.00 -4.83 3.03 -1.26 -5.02 118.95 109.97 3gbj s ARG 259 Ca 0.72 0.77 0.00 0.00 2.03 0.00 0.00 55.73 59.25 3gbj s ARG 259 Cb -0.28 -4.13 0.00 0.00 -1.03 0.00 0.00 34.95 29.51 3gbj s ARG 259 CO 0.51 -1.90 0.00 0.41 -1.13 0.00 0.00 175.30 173.19 3gbj n GLY 273 N 5.28 -0.71 0.11 3.88 0.00 -1.26 -5.22 105.19 107.27 3gbj n GLY 273 Ca 0.16 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 3gbj n GLY 273 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gbj h SER 274 N 0.00 0.26 -0.53 1.61 0.87 -2.03 -2.64 113.55 111.09 3gbj h SER 274 Ca 0.00 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 3gbj h SER 274 Cb 0.00 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3gbj h SER 274 CO 0.00 1.08 0.03 0.78 -0.53 0.00 0.00 176.83 178.19 3gbj h ASN 275 N 0.09 0.93 0.52 6.23 2.35 -2.00 -0.40 115.58 123.31 3gbj h ASN 275 Ca -0.06 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 3gbj h ASN 275 Cb 1.64 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 39.76 3gbj h ASN 275 CO 0.15 0.98 -0.25 0.40 -1.65 0.00 0.00 177.43 177.06 3gbj h ILE 276 N 0.90 0.47 -0.49 2.81 2.04 -1.93 0.14 117.51 121.44 3gbj h ILE 276 Ca 0.17 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3gbj h ILE 276 Cb 0.49 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 3gbj h ILE 276 CO 0.02 0.03 0.23 -1.13 0.00 0.00 0.00 178.15 177.30 3gbj h ASN 277 N -0.81 0.30 -0.96 1.72 -1.24 -1.43 -0.35 115.58 112.81 3gbj h ASN 277 Ca -0.07 0.04 0.04 0.00 0.71 0.00 0.00 56.30 57.01 3gbj h ASN 277 Cb 0.58 -0.01 -0.06 0.00 0.73 0.00 0.00 38.32 39.56 3gbj h ASN 277 CO 0.12 0.21 0.63 0.11 -1.29 0.00 0.00 177.43 177.21 3gbj h LYS 278 N 0.44 1.17 -0.18 6.67 6.56 -0.98 0.14 116.57 130.39 3gbj h LYS 278 Ca 0.22 -0.07 -0.02 0.00 -1.06 0.00 0.00 60.65 59.72 3gbj h LYS 278 Cb 0.17 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.56 3gbj h LYS 278 CO -0.18 0.78 0.04 1.03 -2.06 0.00 0.00 179.45 179.06 3gbj h SER 279 N 1.21 0.27 -0.46 0.86 0.87 0.54 -0.82 113.55 116.02 3gbj h SER 279 Ca 0.38 -0.24 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 3gbj h SER 279 Cb 0.02 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3gbj h SER 279 CO -0.12 0.44 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.42 3gbj h LEU 280 N 0.10 0.91 -1.00 2.23 3.38 -0.78 -2.02 115.31 118.12 3gbj h LEU 280 Ca 0.06 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3gbj h LEU 280 Cb 0.27 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gbj h LEU 280 CO 0.00 1.07 0.04 0.74 0.09 0.00 0.00 178.44 180.39 3gbj h THR 281 N 0.74 1.23 -0.39 0.22 2.02 -0.66 -1.42 112.91 114.65 3gbj h THR 281 Ca 0.11 -0.91 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 3gbj h THR 281 Cb 0.69 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3gbj h THR 281 CO 0.05 0.32 -0.23 0.74 0.37 0.00 0.00 175.52 176.77 3gbj h THR 282 N 0.72 1.28 -0.85 3.16 2.02 -1.01 -2.36 112.91 115.88 3gbj h THR 282 Ca 0.15 -1.39 0.02 0.00 0.77 0.00 0.00 66.41 65.97 3gbj h THR 282 Cb 0.38 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3gbj h THR 282 CO 0.01 0.46 0.55 0.25 0.37 0.00 0.00 175.52 177.17 3gbj h LEU 283 N 0.66 0.93 0.05 2.58 5.85 -1.05 -0.52 115.31 123.81 3gbj h LEU 283 Ca 0.08 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3gbj h LEU 283 Cb 0.80 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3gbj h LEU 283 CO 0.07 0.66 -0.21 1.23 -0.34 0.00 0.00 178.44 179.84 3gbj h GLY 284 N 1.10 -0.33 0.61 3.75 0.00 -1.00 0.25 103.07 107.45 3gbj h GLY 284 Ca 0.33 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.98 3gbj h GLY 284 CO -0.10 -0.19 0.49 1.41 0.00 0.00 0.00 176.54 178.15 3gbj h LEU 285 N -0.36 0.73 -0.00 3.11 3.38 -1.12 0.14 115.31 121.19 3gbj h LEU 285 Ca 0.04 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gbj h LEU 285 Cb 0.41 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gbj h LEU 285 CO -0.16 0.44 -0.00 0.58 0.09 0.00 0.00 178.44 179.39 3gbj h VAL 286 N 0.85 1.36 -0.77 1.22 2.07 -0.60 -1.52 116.25 118.87 3gbj h VAL 286 Ca 0.38 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3gbj h VAL 286 Cb 0.28 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3gbj h VAL 286 CO -0.22 0.28 0.49 0.40 0.02 0.00 0.00 177.57 178.55 3gbj h ILE 287 N -0.45 1.14 -0.61 4.57 2.04 -0.40 -1.55 117.51 122.24 3gbj h ILE 287 Ca 0.00 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.61 3gbj h ILE 287 Cb 0.46 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 3gbj h ILE 287 CO 0.00 0.18 0.27 -1.28 0.00 0.00 0.00 178.15 177.32 3gbj h SER 288 N 0.98 0.33 -0.55 1.72 0.87 -0.66 0.05 113.55 116.28 3gbj h SER 288 Ca 0.30 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.82 3gbj h SER 288 Cb -0.03 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3gbj h SER 288 CO -0.10 0.20 -0.06 0.00 -0.53 0.00 0.00 176.83 176.35 3gbj h ALA 289 N 1.39 0.74 -0.13 6.23 0.00 -0.52 -2.54 119.26 124.44 3gbj h ALA 289 Ca 0.30 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gbj h ALA 289 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gbj h ALA 289 CO -0.26 0.62 -0.21 1.25 0.00 0.00 0.00 179.25 180.64 3gbj h LEU 290 N 0.88 0.21 0.00 0.00 5.85 -0.90 -3.52 115.31 117.83 3gbj h LEU 290 Ca 0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gbj h LEU 290 Cb 0.61 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3gbj h LEU 290 CO 0.04 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.58 3gbj n ALA 291 N -2.48 2.62 0.00 1.25 0.00 -0.03 -4.75 120.51 117.11 3gbj n ALA 291 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3gbj n ALA 291 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3gbj n ALA 291 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3gbj n LYS 301 N -1.04 0.00 -2.51 0.00 0.00 -1.26 -4.93 118.16 108.42 3gbj n LYS 301 Ca 0.22 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.10 3gbj n LYS 301 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.13 3gbj n LYS 301 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3gbj s PHE 302 N -2.52 3.10 -0.29 5.58 5.36 -1.26 -5.02 117.98 122.94 3gbj s PHE 302 Ca 0.00 1.21 -0.11 0.00 -0.96 0.00 0.00 56.93 57.07 3gbj s PHE 302 Cb 0.00 -3.41 -0.05 0.00 -0.34 0.00 0.00 43.02 39.23 3gbj s PHE 302 CO 0.00 -1.21 0.20 0.08 -1.46 0.00 0.00 175.22 172.83 3gbj s VAL 303 N 2.97 5.30 -0.02 3.12 1.01 -1.26 -5.00 120.40 126.53 3gbj s VAL 303 Ca 0.52 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3gbj s VAL 303 Cb -0.21 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3gbj s VAL 303 CO 0.15 0.21 1.90 -0.81 0.00 0.00 0.00 175.10 176.55 3gbj n PRO 304 N 5.08 1.04 -0.33 2.72 -0.05 -1.26 -4.53 135.00 137.67 3gbj n PRO 304 Ca -0.14 -0.08 0.18 0.00 -0.05 0.00 0.00 63.50 63.42 3gbj n PRO 304 Cb 0.52 -1.03 0.39 0.00 -0.05 0.00 0.00 33.50 33.33 3gbj n PRO 304 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3gbj h TYR 305 N 0.92 0.83 0.00 0.54 0.05 -1.92 -0.72 116.97 116.67 3gbj h TYR 305 Ca 0.01 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3gbj h TYR 305 Cb 1.00 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.53 3gbj h TYR 305 CO 0.24 -0.08 0.00 -0.09 -1.05 0.00 0.00 178.16 177.18 3gbj h ARG 306 N 0.41 0.00 0.00 4.88 9.65 -1.88 -1.93 114.38 125.52 3gbj h ARG 306 Ca 0.65 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.53 3gbj h ARG 306 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3gbj h ARG 306 CO -0.56 0.00 0.00 -0.25 2.80 0.00 0.00 179.97 181.96 3gbj n ASP 307 N -2.81 0.00 -3.76 -3.80 9.92 -0.28 -4.69 116.55 111.14 3gbj n ASP 307 Ca 0.00 0.22 -0.12 0.00 -0.53 0.00 0.00 54.79 54.36 3gbj n ASP 307 Cb 0.22 -0.38 -0.08 0.00 -0.64 0.00 0.00 41.12 40.25 3gbj n ASP 307 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3gbj s SER 308 N -2.75 -0.14 0.18 -2.24 1.04 -1.21 -4.87 113.70 103.72 3gbj s SER 308 Ca 0.14 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.33 3gbj s SER 308 Cb 0.13 0.34 0.11 0.00 0.10 0.00 0.00 66.02 66.69 3gbj s SER 308 CO 0.31 -0.56 1.82 1.62 0.98 0.00 0.00 173.24 177.40 3gbj h VAL 309 N 3.42 1.05 0.08 5.02 3.04 -1.86 -1.02 116.25 125.99 3gbj h VAL 309 Ca -0.31 -0.21 0.02 0.00 -1.01 0.00 0.00 66.70 65.18 3gbj h VAL 309 Cb 1.19 0.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.81 3gbj h VAL 309 CO 0.44 0.11 -0.21 0.25 -1.01 0.00 0.00 177.57 177.16 3gbj h LEU 310 N 0.63 -0.59 -0.96 3.16 5.85 -1.95 -0.13 115.31 121.33 3gbj h LEU 310 Ca 0.21 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 3gbj h LEU 310 Cb 0.03 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3gbj h LEU 310 CO -0.10 -0.29 -0.51 0.71 -0.34 0.00 0.00 178.44 177.91 3gbj h THR 311 N -0.38 1.37 -0.09 1.05 1.35 -1.74 -1.98 112.91 112.50 3gbj h THR 311 Ca 0.04 -1.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.08 3gbj h THR 311 Cb 0.41 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3gbj h THR 311 CO -0.14 0.51 -0.13 -0.25 -0.25 0.00 0.00 175.52 175.26 3gbj h TRP 312 N 0.02 0.30 -0.28 4.73 7.01 -0.35 -1.33 115.95 126.05 3gbj h TRP 312 Ca -0.00 -0.10 -0.04 0.00 2.11 0.00 0.00 58.89 60.86 3gbj h TRP 312 Cb 0.92 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 3gbj h TRP 312 CO 0.00 0.72 0.01 -0.07 -2.79 0.00 0.00 178.44 176.32 3gbj h LEU 313 N -0.21 0.38 -2.05 0.65 3.38 -0.96 -2.35 115.31 114.14 3gbj h LEU 313 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gbj h LEU 313 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3gbj h LEU 313 CO 0.03 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.17 3gbj n LEU 314 N -4.33 3.00 -0.22 1.67 4.77 -0.75 -4.58 117.00 116.56 3gbj n LEU 314 Ca 0.01 -1.50 -0.03 0.00 -0.03 0.00 0.00 56.01 54.46 3gbj n LEU 314 Cb 0.21 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3gbj n LEU 314 CO 0.38 0.72 0.66 0.50 -1.33 0.00 0.00 177.39 178.32 3gbj h LYS 315 N 3.18 -0.10 0.00 3.23 3.64 -0.67 -0.16 116.57 125.70 3gbj h LYS 315 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gbj h LYS 315 Cb 0.77 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3gbj h LYS 315 CO 0.02 -0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 176.73 3gbj n ASP 316 N -5.45 0.00 -0.32 4.20 3.85 -1.26 -1.23 116.55 116.34 3gbj n ASP 316 Ca 0.06 0.02 0.04 0.00 -0.71 0.00 0.00 54.79 54.20 3gbj n ASP 316 Cb 0.36 -0.27 0.10 0.00 -1.35 0.00 0.00 41.12 39.95 3gbj n ASP 316 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3gbj n SER 317 N -1.27 2.55 -0.00 -1.12 7.64 -0.12 -4.60 113.62 116.70 3gbj n SER 317 Ca 0.08 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.74 3gbj n SER 317 Cb 0.13 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 3gbj n SER 317 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gbj n LEU 318 N -0.25 1.20 0.00 -3.43 4.77 -0.37 -4.38 117.00 114.54 3gbj n LEU 318 Ca 0.08 -1.22 -0.09 0.00 -0.03 0.00 0.00 56.01 54.75 3gbj n LEU 318 Cb 0.42 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3gbj n LEU 318 CO 0.04 0.30 -0.05 0.61 -1.33 0.00 0.00 177.39 176.97 3gbj n GLY 319 N -0.31 3.67 7.00 -0.72 0.00 -1.18 -4.77 105.19 108.89 3gbj n GLY 319 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3gbj n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gbj n GLY 320 N 0.37 3.32 1.08 -0.02 0.00 -1.26 -1.32 105.19 107.36 3gbj n GLY 320 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3gbj n GLY 320 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gbj n ASN 321 N 4.92 3.00 -4.81 1.61 3.02 -1.26 -4.94 115.26 116.80 3gbj n ASN 321 Ca 0.00 -2.37 -0.32 0.00 -0.03 0.00 0.00 54.58 51.85 3gbj n ASN 321 Cb 0.00 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.64 3gbj n ASN 321 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3gbj s SER 322 N -0.42 5.78 0.05 6.41 0.01 -0.43 -4.61 113.70 120.48 3gbj s SER 322 Ca 0.24 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.30 3gbj s SER 322 Cb 0.18 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3gbj s SER 322 CO 0.08 -1.17 -0.15 -0.54 0.41 0.00 0.00 173.24 171.87 3gbj s LYS 323 N -4.36 2.12 -0.03 12.44 3.01 -0.69 -4.86 119.74 127.37 3gbj s LYS 323 Ca 0.61 -0.97 0.01 0.00 -1.01 0.00 0.00 55.97 54.62 3gbj s LYS 323 Cb -0.15 -2.25 0.02 0.00 -1.01 0.00 0.00 37.83 34.44 3gbj s LYS 323 CO 0.41 0.54 -0.04 0.99 0.51 0.00 0.00 175.35 177.76 3gbj s THR 324 N -1.01 0.45 -0.06 2.17 2.01 0.77 -1.71 115.64 118.26 3gbj s THR 324 Ca 0.16 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3gbj s THR 324 Cb -0.11 -0.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 3gbj s THR 324 CO 0.08 0.19 -0.23 0.00 -0.69 0.00 0.00 174.62 173.96 3gbj s ALA 325 N 0.67 2.02 -0.06 7.40 0.00 -0.16 -0.09 121.76 131.54 3gbj s ALA 325 Ca -0.08 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3gbj s ALA 325 Cb -0.12 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3gbj s ALA 325 CO -0.00 0.36 -0.19 1.41 0.00 0.00 0.00 175.76 177.34 3gbj s MET 326 N -0.03 2.15 -0.29 0.00 0.00 0.17 -0.67 119.30 120.63 3gbj s MET 326 Ca -0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 55.69 54.89 3gbj s MET 326 Cb -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 34.83 32.92 3gbj s MET 326 CO 0.04 0.21 0.08 0.08 0.00 0.00 0.00 175.02 175.43 3gbj s VAL 327 N 0.19 3.99 -0.36 10.11 1.01 0.49 -0.66 120.40 135.18 3gbj s VAL 327 Ca -0.09 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 3gbj s VAL 327 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3gbj s VAL 327 CO 0.04 0.11 0.54 0.00 0.00 0.00 0.00 175.10 175.80 3gbj s ALA 328 N 1.51 3.46 0.02 5.51 0.00 0.95 -0.97 121.76 132.24 3gbj s ALA 328 Ca 0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 3gbj s ALA 328 Cb -0.17 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 3gbj s ALA 328 CO 0.02 -1.30 0.44 0.95 0.00 0.00 0.00 175.76 175.88 3gbj s THR 329 N 2.47 4.96 0.02 0.00 -4.23 0.87 -0.52 115.64 119.22 3gbj s THR 329 Ca 0.20 0.92 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 3gbj s THR 329 Cb -0.15 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 69.92 3gbj s THR 329 CO 0.14 0.57 -0.04 0.68 -0.54 0.00 0.00 174.62 175.43 3gbj s VAL 330 N -1.09 0.20 0.34 2.29 -7.23 0.15 -4.19 120.40 110.87 3gbj s VAL 330 Ca 0.25 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 59.37 3gbj s VAL 330 Cb -0.17 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.37 3gbj s VAL 330 CO 0.15 -0.37 1.08 -0.55 -0.31 0.00 0.00 175.10 175.09 3gbj s SER 331 N -1.21 6.97 0.00 4.85 0.15 -1.26 -2.40 113.70 120.80 3gbj s SER 331 Ca -0.12 2.17 0.29 0.00 0.70 0.00 0.00 55.95 59.00 3gbj s SER 331 Cb -0.08 -2.61 1.31 0.00 -1.71 0.00 0.00 66.02 62.93 3gbj s SER 331 CO -0.01 -0.35 1.93 -0.81 1.20 0.00 0.00 173.24 175.21 3gbj n PRO 332 N 0.52 0.41 -3.61 5.44 -0.04 -1.26 -4.89 135.00 131.56 3gbj n PRO 332 Ca 0.02 -0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.09 3gbj n PRO 332 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 3gbj n PRO 332 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gbj s ALA 333 N -2.64 3.74 0.36 0.55 0.00 -1.26 -0.32 121.76 122.18 3gbj s ALA 333 Ca 0.25 -0.49 0.09 0.00 0.00 0.00 0.00 51.96 51.80 3gbj s ALA 333 Cb 0.20 -2.20 0.81 0.00 0.00 0.00 0.00 23.12 21.93 3gbj s ALA 333 CO 0.49 0.63 1.88 0.00 0.00 0.00 0.00 175.76 178.76 3gbj h ALA 334 N 2.79 1.82 0.00 0.00 0.00 -0.54 -1.37 119.26 121.96 3gbj h ALA 334 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gbj h ALA 334 Cb 1.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gbj h ALA 334 CO 0.72 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3gbj n ASP 335 N -4.55 0.06 -0.29 0.00 5.75 -1.26 -1.50 116.55 114.75 3gbj n ASP 335 Ca 0.17 0.52 0.08 0.00 -0.01 0.00 0.00 54.79 55.55 3gbj n ASP 335 Cb 0.45 -0.53 0.15 0.00 -1.03 0.00 0.00 41.12 40.16 3gbj n ASP 335 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3gbj n ASN 336 N -1.57 2.70 -0.21 -1.12 3.02 -0.52 -4.83 115.26 112.73 3gbj n ASN 336 Ca 0.01 -2.84 -0.03 0.00 -0.03 0.00 0.00 54.58 51.69 3gbj n ASN 336 Cb 0.08 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 38.90 3gbj n ASN 336 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3gbj h TYR 337 N 0.56 -0.71 0.08 3.10 5.03 -1.30 -0.51 116.97 123.21 3gbj h TYR 337 Ca 0.00 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.38 3gbj h TYR 337 Cb 1.02 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 39.70 3gbj h TYR 337 CO 0.13 -0.35 -0.07 -0.44 -1.32 0.00 0.00 178.16 176.12 3gbj h ASP 338 N -0.10 -0.17 -0.51 -2.11 3.32 -1.88 -0.47 116.42 114.49 3gbj h ASP 338 Ca 0.27 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 3gbj h ASP 338 Cb 0.53 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3gbj h ASP 338 CO -0.69 -0.11 0.06 -0.33 -1.72 0.00 0.00 179.24 176.45 3gbj h GLU 339 N -0.15 0.91 -0.33 3.56 4.39 -1.83 -1.66 114.58 119.47 3gbj h GLU 339 Ca 0.00 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3gbj h GLU 339 Cb 0.15 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3gbj h GLU 339 CO -0.01 0.87 0.16 1.15 -1.16 0.00 0.00 179.01 180.01 3gbj h THR 340 N 0.86 1.16 -0.01 1.13 2.02 -0.89 -0.18 112.91 116.99 3gbj h THR 340 Ca 0.17 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.91 3gbj h THR 340 Cb 0.43 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3gbj h THR 340 CO 0.01 0.17 -0.04 0.25 0.37 0.00 0.00 175.52 176.28 3gbj h LEU 341 N 0.40 -0.13 -0.62 2.58 5.85 -0.83 0.14 115.31 122.70 3gbj h LEU 341 Ca 0.11 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.98 3gbj h LEU 341 Cb 0.12 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 3gbj h LEU 341 CO -0.01 -0.07 0.12 -1.28 -0.34 0.00 0.00 178.44 176.86 3gbj h SER 342 N -0.07 -0.03 -0.52 1.25 0.87 -1.21 -0.49 113.55 113.35 3gbj h SER 342 Ca 0.02 0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3gbj h SER 342 Cb 0.11 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3gbj h SER 342 CO -0.06 -0.01 0.08 0.74 -0.53 0.00 0.00 176.83 177.05 3gbj h THR 343 N 0.24 1.25 -0.63 2.23 2.02 -0.23 0.40 112.91 118.19 3gbj h THR 343 Ca 0.33 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 3gbj h THR 343 Cb 0.50 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3gbj h THR 343 CO -0.43 0.34 0.06 -0.07 0.37 0.00 0.00 175.52 175.79 3gbj h LEU 344 N 0.75 1.04 -0.35 2.58 3.38 -0.42 -0.62 115.31 121.67 3gbj h LEU 344 Ca 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gbj h LEU 344 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gbj h LEU 344 CO 0.01 1.06 0.10 0.03 0.09 0.00 0.00 178.44 179.73 3gbj h ARG 345 N 0.99 0.55 -0.38 1.13 3.08 -0.91 0.28 114.38 119.12 3gbj h ARG 345 Ca 0.19 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3gbj h ARG 345 Cb 0.49 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 3gbj h ARG 345 CO 0.02 0.58 0.01 -0.92 -1.07 0.00 0.00 179.97 178.59 3gbj h TYR 346 N 0.41 -0.00 -0.31 3.04 3.20 -0.58 0.52 116.97 123.26 3gbj h TYR 346 Ca 0.11 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 3gbj h TYR 346 Cb 0.26 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3gbj h TYR 346 CO 0.01 -0.06 -0.23 0.00 -1.64 0.00 0.00 178.16 176.24 3gbj h ALA 347 N 1.33 1.02 -0.61 1.82 0.00 -0.98 -2.06 119.26 119.77 3gbj h ALA 347 Ca 0.18 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3gbj h ALA 347 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3gbj h ALA 347 CO -0.30 0.58 0.08 0.22 0.00 0.00 0.00 179.25 179.84 3gbj h ASP 348 N 0.52 0.96 0.14 0.00 3.58 -0.30 -2.60 116.42 118.73 3gbj h ASP 348 Ca 0.08 -0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 3gbj h ASP 348 Cb 0.68 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 3gbj h ASP 348 CO 0.05 0.97 -0.32 0.03 -2.88 0.00 0.00 179.24 177.09 3gbj h ARG 349 N 0.94 0.27 0.00 0.28 3.08 -0.52 -2.85 114.38 115.58 3gbj h ARG 349 Ca 0.19 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gbj h ARG 349 Cb 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3gbj h ARG 349 CO 0.01 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.48 3gbj h ALA 350 N 1.43 1.00 0.00 0.04 0.00 -1.15 -3.44 119.26 117.15 3gbj h ALA 350 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gbj h ALA 350 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gbj h ALA 350 CO 0.05 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.66