#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bnm s TRP 5 N 0.00 0.98 0.00 0.00 1.48 -1.26 -4.90 118.94 115.24 1bnm s TRP 5 Ca 0.00 0.73 0.00 0.00 -1.06 0.00 0.00 56.10 55.77 1bnm s TRP 5 Cb 0.00 -3.29 0.00 0.00 -1.16 0.00 0.00 33.47 29.02 1bnm s TRP 5 CO 0.00 -3.72 0.00 0.41 -4.06 0.00 0.00 176.95 169.58 1bnm n GLY 6 N -0.52 0.94 0.36 3.67 0.00 0.03 -5.01 105.19 104.66 1bnm n GLY 6 Ca 0.09 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.82 1bnm n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bnm n TYR 7 N 0.00 0.00 -2.33 1.61 4.02 -1.26 -3.93 117.16 115.27 1bnm n TYR 7 Ca 0.00 -0.61 -0.25 0.00 -0.01 0.00 0.00 57.90 57.04 1bnm n TYR 7 Cb 0.00 -0.12 0.06 0.00 -0.02 0.00 0.00 39.34 39.26 1bnm n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1bnm s GLY 8 N -2.11 1.72 0.40 2.72 0.00 -1.26 -4.73 107.32 104.06 1bnm s GLY 8 Ca 0.20 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 43.98 1bnm s GLY 8 CO -0.00 -0.65 2.00 1.70 0.00 0.00 0.00 173.10 176.15 1bnm h LYS 9 N -0.40 0.41 0.00 2.90 1.63 -1.97 0.51 116.57 119.65 1bnm h LYS 9 Ca -0.44 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 1bnm h LYS 9 Cb 1.31 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.85 1bnm h LYS 9 CO 0.58 0.36 -0.71 0.45 -3.45 0.00 0.00 179.45 176.69 1bnm h HIS 10 N 0.41 0.00 0.00 1.91 3.86 -2.00 -3.37 115.15 115.97 1bnm h HIS 10 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1bnm h HIS 10 Cb 0.12 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.52 1bnm h HIS 10 CO 0.00 0.13 -0.47 0.27 0.86 0.00 0.00 177.93 178.72 1bnm n ASN 11 N -2.89 1.04 -3.04 2.45 6.94 -1.08 -4.95 115.26 113.73 1bnm n ASN 11 Ca 0.00 -2.53 -0.16 0.00 -0.02 0.00 0.00 54.58 51.87 1bnm n ASN 11 Cb 0.60 -0.32 0.12 0.00 -2.36 0.00 0.00 39.78 37.82 1bnm n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1bnm n GLY 12 N -0.43 -1.91 0.44 4.83 0.00 0.18 -0.79 105.19 107.50 1bnm n GLY 12 Ca 0.08 -1.59 0.26 0.00 0.00 0.00 0.00 46.02 44.76 1bnm n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1bnm h PRO 13 N 0.00 0.22 0.00 1.61 0.11 -1.85 0.85 132.00 132.95 1bnm h PRO 13 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1bnm h PRO 13 Cb 0.65 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1bnm h PRO 13 CO 0.15 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 177.24 1bnm n GLU 14 N -4.43 0.75 0.00 1.05 0.00 -1.26 -2.86 120.64 113.88 1bnm n GLU 14 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.39 1bnm n GLU 14 Cb 0.94 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.94 1bnm n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bnm n HIS 15 N -0.93 0.00 0.03 -1.84 8.25 0.28 -4.76 115.22 116.25 1bnm n HIS 15 Ca 0.15 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.79 1bnm n HIS 15 Cb 0.07 0.00 0.66 0.00 1.12 0.00 0.00 29.99 31.84 1bnm n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1bnm h TRP 16 N 0.00 0.06 -0.13 4.41 6.55 -1.37 -2.22 115.95 123.25 1bnm h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1bnm h TRP 16 Cb 0.00 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1bnm h TRP 16 CO 0.00 0.03 0.02 1.12 -1.05 0.00 0.00 178.44 178.56 1bnm h HIS 17 N 0.05 0.18 -0.18 0.49 2.07 -1.78 0.27 115.15 116.26 1bnm h HIS 17 Ca 0.21 -0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.74 1bnm h HIS 17 Cb 0.78 -0.06 -0.01 0.00 2.57 0.00 0.00 27.41 30.70 1bnm h HIS 17 CO -0.00 0.18 0.12 0.87 -3.07 0.00 0.00 177.93 176.02 1bnm h LYS 18 N 0.18 0.18 0.00 5.12 1.57 -1.76 -2.44 116.57 119.42 1bnm h LYS 18 Ca 0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1bnm h LYS 18 Cb 0.10 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1bnm h LYS 18 CO -0.00 0.12 -1.70 -0.25 -0.57 0.00 0.00 179.45 177.05 1bnm n ASP 19 N -4.51 1.69 -3.56 0.86 8.00 -0.61 -4.77 116.55 113.66 1bnm n ASP 19 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1bnm n ASP 19 Cb 0.12 1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 42.64 1bnm n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bnm s PHE 20 N -2.90 1.47 0.56 1.24 0.08 0.86 -4.99 117.98 114.30 1bnm s PHE 20 Ca -0.05 -2.23 0.30 0.00 0.12 0.00 0.00 56.93 55.06 1bnm s PHE 20 Cb 0.08 -1.37 1.46 0.00 -0.57 0.00 0.00 43.02 42.63 1bnm s PHE 20 CO 0.59 -0.79 1.90 -1.35 -0.10 0.00 0.00 175.22 175.48 1bnm h PRO 21 N 6.36 0.00 0.00 0.24 0.11 -1.68 -0.47 132.00 136.57 1bnm h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1bnm h PRO 21 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1bnm h PRO 21 CO 0.40 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.70 1bnm n ILE 22 N -4.06 1.58 0.17 4.15 0.13 -1.26 -1.66 119.36 118.41 1bnm n ILE 22 Ca 0.13 0.59 0.17 0.00 -1.10 0.00 0.00 62.75 62.54 1bnm n ILE 22 Cb 0.81 -1.59 0.79 0.00 -0.84 0.00 0.00 39.64 38.81 1bnm n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bnm h ALA 23 N 2.01 1.94 -0.41 1.51 0.00 -1.39 0.39 119.26 123.31 1bnm h ALA 23 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1bnm h ALA 23 Cb 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1bnm h ALA 23 CO 0.00 -0.34 0.03 1.63 0.00 0.00 0.00 179.25 180.57 1bnm n LYS 24 N -3.96 2.20 -0.04 0.00 5.02 -0.67 -4.99 118.16 115.72 1bnm n LYS 24 Ca 0.03 -3.08 -0.01 0.00 -2.02 0.00 0.00 58.31 53.22 1bnm n LYS 24 Cb 0.36 -1.88 0.01 0.00 -0.02 0.00 0.00 35.03 33.50 1bnm n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnm n GLY 25 N -0.95 -2.51 0.09 0.72 0.00 0.14 -5.01 105.19 97.67 1bnm n GLY 25 Ca 0.34 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.88 1bnm n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bnm h GLU 26 N 0.00 0.00 -2.45 1.61 4.39 -1.95 -3.41 114.58 112.76 1bnm h GLU 26 Ca -0.01 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.09 1bnm h GLU 26 Cb 0.05 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.29 1bnm h GLU 26 CO 0.01 0.41 -0.82 2.89 -1.16 0.00 0.00 179.01 180.34 1bnm n ARG 27 N -2.99 1.21 -4.03 2.33 1.85 -1.26 -4.75 116.66 109.02 1bnm n ARG 27 Ca -0.12 -3.84 -0.29 0.00 -1.00 0.00 0.00 57.85 52.61 1bnm n ARG 27 Cb 0.92 -1.86 -0.06 0.00 -1.05 0.00 0.00 32.46 30.42 1bnm n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1bnm s GLN 28 N -1.12 3.01 0.29 2.89 -1.52 -1.26 -2.87 119.66 119.08 1bnm s GLN 28 Ca 0.33 -0.71 0.11 0.00 -1.95 0.00 0.00 55.36 53.14 1bnm s GLN 28 Cb 0.07 -2.76 -0.05 0.00 -0.22 0.00 0.00 33.01 30.04 1bnm s GLN 28 CO -0.14 0.54 -0.14 -1.12 -0.25 0.00 0.00 175.29 174.19 1bnm s SER 29 N -2.71 3.79 0.98 5.90 0.01 -1.26 -4.63 113.70 115.79 1bnm s SER 29 Ca 0.31 -1.00 -0.16 0.00 1.31 0.00 0.00 55.95 56.40 1bnm s SER 29 Cb -0.12 -0.40 0.22 0.00 0.21 0.00 0.00 66.02 65.93 1bnm s SER 29 CO 0.24 -0.03 1.34 -2.16 0.41 0.00 0.00 173.24 173.04 1bnm s PRO 30 N -3.56 0.45 0.15 12.44 0.04 -1.26 -4.59 135.00 138.66 1bnm s PRO 30 Ca 0.31 -0.50 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 1bnm s PRO 30 Cb -0.04 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1bnm s PRO 30 CO 0.16 -2.53 0.11 0.14 0.04 0.00 0.00 177.00 174.92 1bnm s VAL 31 N -3.93 0.08 0.00 -0.36 -7.23 -1.26 -0.23 120.40 107.47 1bnm s VAL 31 Ca 0.76 -1.83 -0.23 0.00 -1.81 0.00 0.00 61.98 58.86 1bnm s VAL 31 Cb -0.03 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 1bnm s VAL 31 CO 0.54 -0.36 0.68 -0.62 -0.31 0.00 0.00 175.10 175.03 1bnm s ASP 32 N -3.05 7.07 -0.54 4.85 2.15 -1.26 -3.48 116.67 122.40 1bnm s ASP 32 Ca 0.25 1.28 -0.17 0.00 0.43 0.00 0.00 52.55 54.34 1bnm s ASP 32 Cb 0.07 -2.41 0.10 0.00 -0.30 0.00 0.00 42.92 40.37 1bnm s ASP 32 CO 0.03 0.02 0.55 -0.63 -0.17 0.00 0.00 175.17 174.98 1bnm s ILE 33 N 0.07 5.06 -0.54 4.11 1.01 -0.54 -4.95 121.20 125.43 1bnm s ILE 33 Ca 0.35 -1.15 -0.26 0.00 0.00 0.00 0.00 60.65 59.59 1bnm s ILE 33 Cb -0.19 -4.34 0.03 0.00 0.01 0.00 0.00 42.46 37.98 1bnm s ILE 33 CO 0.20 -0.88 1.03 -0.62 0.00 0.00 0.00 174.94 174.66 1bnm s ASP 34 N 3.31 6.43 0.49 3.58 2.15 -1.26 -0.68 116.67 130.69 1bnm s ASP 34 Ca 0.07 -0.05 0.22 0.00 0.43 0.00 0.00 52.55 53.23 1bnm s ASP 34 Cb -0.26 -2.48 1.27 0.00 -0.30 0.00 0.00 42.92 41.14 1bnm s ASP 34 CO 0.06 -1.27 2.03 0.71 -0.17 0.00 0.00 175.17 176.53 1bnm h THR 35 N 6.09 0.80 -0.04 1.71 1.35 -1.95 -2.59 112.91 118.29 1bnm h THR 35 Ca -0.25 -0.60 -0.21 0.00 -0.55 0.00 0.00 66.41 64.80 1bnm h THR 35 Cb 1.07 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1bnm h THR 35 CO 1.11 0.15 -0.87 0.45 -0.25 0.00 0.00 175.52 176.11 1bnm h HIS 36 N 0.00 0.66 -0.56 4.73 3.86 -2.03 -3.29 115.15 118.52 1bnm h HIS 36 Ca -0.00 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.88 1bnm h HIS 36 Cb 0.34 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1bnm h HIS 36 CO 0.00 1.13 0.00 0.25 0.86 0.00 0.00 177.93 180.17 1bnm n THR 37 N -3.80 0.82 -2.73 2.45 -2.24 -1.17 -4.91 114.28 102.69 1bnm n THR 37 Ca -0.06 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.39 1bnm n THR 37 Cb 0.79 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1bnm n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bnm s ALA 38 N -1.15 3.47 -0.20 6.98 0.00 -0.98 -4.84 121.76 125.04 1bnm s ALA 38 Ca 0.41 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1bnm s ALA 38 Cb 0.22 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1bnm s ALA 38 CO 0.30 -0.67 1.17 0.21 0.00 0.00 0.00 175.76 176.76 1bnm s LYS 39 N 2.20 4.23 -0.12 0.00 2.20 -0.14 -4.67 119.74 123.44 1bnm s LYS 39 Ca 0.45 1.51 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1bnm s LYS 39 Cb -0.17 -3.71 -0.03 0.00 -1.51 0.00 0.00 37.83 32.40 1bnm s LYS 39 CO 0.15 -0.69 1.42 -0.47 -0.36 0.00 0.00 175.35 175.40 1bnm s TYR 40 N 3.40 2.51 -0.23 4.03 5.04 -1.26 -0.84 117.35 130.00 1bnm s TYR 40 Ca 0.50 0.69 -0.07 0.00 -2.44 0.00 0.00 57.07 55.75 1bnm s TYR 40 Cb -0.19 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.43 1bnm s TYR 40 CO 0.11 -2.55 0.06 0.34 -1.34 0.00 0.00 175.55 172.17 1bnm s ASP 41 N 2.49 5.12 0.37 4.32 -1.08 -0.16 -4.87 116.67 122.87 1bnm s ASP 41 Ca 0.62 -0.18 0.22 0.00 -0.52 0.00 0.00 52.55 52.69 1bnm s ASP 41 Cb -0.26 -1.91 0.24 0.00 -1.46 0.00 0.00 42.92 39.53 1bnm s ASP 41 CO 0.21 0.00 1.48 1.55 0.52 0.00 0.00 175.17 178.93 1bnm h PRO 42 N 7.97 0.00 0.00 4.34 0.13 -1.94 -3.22 132.00 139.28 1bnm h PRO 42 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1bnm h PRO 42 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bnm h PRO 42 CO 0.59 0.07 0.00 -1.13 -0.23 0.00 0.00 178.00 177.31 1bnm n SER 43 N -3.04 0.00 -4.61 1.44 3.41 -1.26 -4.75 113.62 104.81 1bnm n SER 43 Ca 0.03 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.58 1bnm n SER 43 Cb 0.57 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 1bnm n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnm s LEU 44 N -1.18 3.72 0.82 1.04 1.02 -1.22 -5.03 118.68 117.85 1bnm s LEU 44 Ca 0.08 0.62 -0.10 0.00 0.02 0.00 0.00 54.13 54.74 1bnm s LEU 44 Cb 0.04 -3.54 0.08 0.00 0.02 0.00 0.00 46.19 42.79 1bnm s LEU 44 CO 0.06 -1.15 1.10 -0.54 0.02 0.00 0.00 176.35 175.84 1bnm s LYS 45 N 4.23 1.86 0.70 1.70 3.01 -1.25 -4.95 119.74 125.04 1bnm s LYS 45 Ca 0.47 1.23 -0.11 0.00 -1.01 0.00 0.00 55.97 56.55 1bnm s LYS 45 Cb -0.09 -1.85 0.01 0.00 -1.01 0.00 0.00 37.83 34.89 1bnm s LYS 45 CO 0.27 -1.94 1.06 -2.14 0.51 0.00 0.00 175.35 173.12 1bnm s PRO 46 N -4.84 2.95 0.58 -1.68 0.02 -1.26 -2.85 135.00 127.92 1bnm s PRO 46 Ca 0.63 0.76 -0.16 0.00 0.02 0.00 0.00 61.00 62.24 1bnm s PRO 46 Cb -0.19 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1bnm s PRO 46 CO 0.57 -1.04 1.04 -0.51 -0.33 0.00 0.00 177.00 176.73 1bnm s LEU 47 N -5.46 3.52 -0.32 -5.54 1.43 -1.26 -0.37 118.68 110.68 1bnm s LEU 47 Ca 0.58 1.75 -0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1bnm s LEU 47 Cb -0.13 -4.53 0.10 0.00 0.03 0.00 0.00 46.19 41.67 1bnm s LEU 47 CO 0.54 -1.04 0.10 -0.55 0.23 0.00 0.00 176.35 175.63 1bnm s SER 48 N -2.88 4.11 -0.32 2.29 0.15 0.36 -4.84 113.70 112.56 1bnm s SER 48 Ca 0.62 -1.74 -0.09 0.00 0.70 0.00 0.00 55.95 55.44 1bnm s SER 48 Cb -0.15 -0.97 -0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1bnm s SER 48 CO 0.36 -0.41 0.15 -0.69 1.20 0.00 0.00 173.24 173.85 1bnm s VAL 49 N 1.48 4.52 -0.72 4.45 1.01 -1.26 -0.44 120.40 129.43 1bnm s VAL 49 Ca 0.10 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1bnm s VAL 49 Cb -0.18 -3.33 0.17 0.00 0.00 0.00 0.00 36.38 33.05 1bnm s VAL 49 CO -0.22 0.03 0.53 -0.44 0.00 0.00 0.00 175.10 175.00 1bnm s SER 50 N 1.59 4.99 -0.14 3.32 0.01 -0.36 -4.89 113.70 118.21 1bnm s SER 50 Ca 0.04 -3.78 0.17 0.00 1.31 0.00 0.00 55.95 53.69 1bnm s SER 50 Cb -0.17 -1.68 0.73 0.00 0.21 0.00 0.00 66.02 65.11 1bnm s SER 50 CO 0.06 -0.11 1.64 -1.22 0.41 0.00 0.00 173.24 174.02 1bnm n TYR 51 N 2.11 1.63 0.24 2.43 4.01 -1.26 -2.58 117.16 123.73 1bnm n TYR 51 Ca 0.19 -0.62 0.11 0.00 -0.16 0.00 0.00 57.90 57.42 1bnm n TYR 51 Cb 0.35 -0.32 0.60 0.00 -0.31 0.00 0.00 39.34 39.66 1bnm n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1bnm h ASP 52 N 3.97 0.00 -0.44 7.72 2.03 -1.90 -2.83 116.42 124.97 1bnm h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bnm h ASP 52 Cb 1.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.07 1bnm h ASP 52 CO 0.30 0.18 0.00 0.00 -1.03 0.00 0.00 179.24 178.70 1bnm n GLN 53 N -3.59 2.89 -1.65 4.15 1.13 -1.17 -5.02 117.38 114.11 1bnm n GLN 53 Ca -0.01 -2.28 -0.47 0.00 -1.94 0.00 0.00 57.00 52.30 1bnm n GLN 53 Cb 0.32 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.23 1bnm n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bnm n ALA 54 N 0.73 0.94 -4.01 -1.58 0.00 -1.07 -4.64 120.51 110.88 1bnm n ALA 54 Ca 0.16 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.75 1bnm n ALA 54 Cb 0.52 -2.30 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 1bnm n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1bnm s THR 55 N 0.78 2.31 0.37 0.00 2.01 -1.26 -4.83 115.64 115.02 1bnm s THR 55 Ca 0.79 -2.47 -0.25 0.00 0.31 0.00 0.00 61.69 60.07 1bnm s THR 55 Cb -0.73 -2.69 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 1bnm s THR 55 CO 0.40 -0.63 1.01 -0.94 -0.69 0.00 0.00 174.62 173.77 1bnm s SER 56 N 0.75 7.02 -0.02 3.53 1.04 -1.26 -0.58 113.70 124.17 1bnm s SER 56 Ca 0.12 1.96 -0.06 0.00 0.48 0.00 0.00 55.95 58.44 1bnm s SER 56 Cb -0.20 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.31 1bnm s SER 56 CO -0.07 -0.30 -0.12 0.18 0.98 0.00 0.00 173.24 173.90 1bnm n LEU 57 N 0.21 1.23 -4.00 2.42 4.77 -0.18 -3.93 117.00 117.51 1bnm n LEU 57 Ca 0.04 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1bnm n LEU 57 Cb 0.50 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1bnm n LEU 57 CO 0.45 -0.40 0.20 0.00 -1.33 0.00 0.00 177.39 176.31 1bnm s ARG 58 N -2.28 1.70 -0.03 3.23 1.70 -1.23 -0.39 118.95 121.64 1bnm s ARG 58 Ca -0.11 -1.39 0.03 0.00 -0.47 0.00 0.00 55.73 53.79 1bnm s ARG 58 Cb 0.02 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1bnm s ARG 58 CO 0.15 -0.72 -0.11 -1.50 -1.08 0.00 0.00 175.30 172.05 1bnm s ILE 59 N -3.63 0.94 -0.05 4.99 2.07 -0.80 -0.49 121.20 124.22 1bnm s ILE 59 Ca 0.24 -0.43 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1bnm s ILE 59 Cb -0.01 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.76 1bnm s ILE 59 CO 0.12 0.29 0.22 -1.48 -1.91 0.00 0.00 174.94 172.18 1bnm s LEU 60 N 0.24 1.19 -0.11 8.50 2.34 -0.42 -1.33 118.68 129.09 1bnm s LEU 60 Ca -0.05 0.23 -0.24 0.00 0.06 0.00 0.00 54.13 54.13 1bnm s LEU 60 Cb -0.10 0.84 -0.03 0.00 -0.56 0.00 0.00 46.19 46.34 1bnm s LEU 60 CO 0.01 -0.22 0.75 0.21 -1.06 0.00 0.00 176.35 176.05 1bnm s ASN 61 N -0.51 6.96 -0.08 1.48 3.84 -0.65 -1.10 114.94 124.88 1bnm s ASN 61 Ca -0.06 1.17 0.12 0.00 0.21 0.00 0.00 52.86 54.30 1bnm s ASN 61 Cb -0.04 -2.43 0.35 0.00 -0.55 0.00 0.00 41.25 38.58 1bnm s ASN 61 CO 0.01 -0.24 1.28 -0.46 -2.79 0.00 0.00 177.10 174.90 1bnm n ASN 62 N 4.44 3.11 0.00 -4.21 0.23 0.01 -1.70 115.26 117.14 1bnm n ASN 62 Ca 0.01 -2.48 0.00 0.00 -0.53 0.00 0.00 54.58 51.58 1bnm n ASN 62 Cb 0.50 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 1bnm n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1bnm n GLY 63 N -0.17 2.78 0.01 4.83 0.00 -1.26 -4.72 105.19 106.67 1bnm n GLY 63 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1bnm n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bnm n HIS 64 N -2.00 0.00 0.00 1.61 8.25 -1.26 -4.70 115.22 117.12 1bnm n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1bnm n HIS 64 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1bnm n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bnm n ALA 65 N -2.01 0.00 -2.88 -1.41 0.00 -1.26 -4.85 120.51 108.10 1bnm n ALA 65 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 1bnm n ALA 65 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1bnm n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1bnm s PHE 66 N -2.00 3.55 0.01 0.00 -0.71 -1.26 -0.81 117.98 116.77 1bnm s PHE 66 Ca 0.00 0.45 0.06 0.00 -1.04 0.00 0.00 56.93 56.40 1bnm s PHE 66 Cb 0.00 -1.89 -0.02 0.00 -1.21 0.00 0.00 43.02 39.90 1bnm s PHE 66 CO 0.00 0.69 -0.18 -0.80 -1.34 0.00 0.00 175.22 173.59 1bnm s ASN 67 N -1.36 2.15 -0.29 1.98 0.02 -0.26 -4.31 114.94 112.87 1bnm s ASN 67 Ca 0.19 -0.41 -0.08 0.00 -1.02 0.00 0.00 52.86 51.54 1bnm s ASN 67 Cb -0.12 -0.20 -0.01 0.00 0.02 0.00 0.00 41.25 40.94 1bnm s ASN 67 CO 0.09 0.17 0.11 -0.69 0.02 0.00 0.00 177.10 176.80 1bnm s VAL 68 N -0.62 4.34 0.17 1.60 1.01 -0.80 -1.30 120.40 124.81 1bnm s VAL 68 Ca 0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1bnm s VAL 68 Cb -0.08 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1bnm s VAL 68 CO 0.00 0.15 0.42 -1.61 0.00 0.00 0.00 175.10 174.07 1bnm s GLU 69 N 1.58 3.64 0.15 2.72 2.02 0.35 -1.90 118.70 127.27 1bnm s GLU 69 Ca 0.05 -0.04 0.09 0.00 0.02 0.00 0.00 54.97 55.08 1bnm s GLU 69 Cb -0.16 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1bnm s GLU 69 CO 0.04 0.42 -0.19 -0.06 0.02 0.00 0.00 175.26 175.49 1bnm s PHE 70 N -1.73 1.83 -0.80 1.61 0.40 0.00 -1.01 117.98 118.29 1bnm s PHE 70 Ca 0.42 -0.45 -0.26 0.00 -0.60 0.00 0.00 56.93 56.05 1bnm s PHE 70 Cb -0.12 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1bnm s PHE 70 CO 0.25 0.30 1.55 0.34 0.70 0.00 0.00 175.22 178.36 1bnm s ASP 71 N -2.45 5.90 -0.42 1.36 2.15 0.25 -4.75 116.67 118.71 1bnm s ASP 71 Ca 0.13 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.57 1bnm s ASP 71 Cb -0.07 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.39 1bnm s ASP 71 CO 0.06 -2.01 1.88 -0.90 -0.17 0.00 0.00 175.17 174.03 1bnm n ASP 72 N 10.68 5.63 0.18 -0.34 5.75 -1.26 -4.43 116.55 132.77 1bnm n ASP 72 Ca 0.19 -3.32 0.07 0.00 -0.01 0.00 0.00 54.79 51.73 1bnm n ASP 72 Cb 0.50 -0.91 0.11 0.00 -1.03 0.00 0.00 41.12 39.79 1bnm n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1bnm h SER 73 N 1.32 0.00 -5.49 -1.12 4.64 -1.93 -3.47 113.55 107.50 1bnm h SER 73 Ca 0.45 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.58 1bnm h SER 73 Cb 1.48 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.44 1bnm h SER 73 CO 1.02 0.25 -0.49 -1.10 -0.87 0.00 0.00 176.83 175.63 1bnm s GLN 74 N -3.10 1.27 -0.88 4.77 -0.21 -1.26 -5.05 119.66 115.19 1bnm s GLN 74 Ca 0.05 -1.52 -0.22 0.00 0.02 0.00 0.00 55.36 53.70 1bnm s GLN 74 Cb 0.06 0.32 -0.13 0.00 1.00 0.00 0.00 33.01 34.26 1bnm s GLN 74 CO 0.70 -0.45 1.94 -0.25 -2.12 0.00 0.00 175.29 175.12 1bnm n ASP 75 N -0.29 2.73 -0.01 5.90 9.92 -1.26 -4.52 116.55 129.02 1bnm n ASP 75 Ca 0.01 -2.70 -0.20 0.00 -0.53 0.00 0.00 54.79 51.37 1bnm n ASP 75 Cb 0.65 -1.25 -0.14 0.00 -0.64 0.00 0.00 41.12 39.74 1bnm n ASP 75 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bnm n LYS 76 N 7.17 0.74 -3.60 -1.24 5.02 -1.26 -4.81 118.16 120.17 1bnm n LYS 76 Ca 0.49 0.25 -0.25 0.00 -2.02 0.00 0.00 58.31 56.78 1bnm n LYS 76 Cb 0.41 -1.69 -0.17 0.00 -0.02 0.00 0.00 35.03 33.56 1bnm n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bnm s ALA 77 N -2.56 0.35 0.21 7.82 0.00 -1.26 -2.86 121.76 123.45 1bnm s ALA 77 Ca -0.22 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1bnm s ALA 77 Cb 0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1bnm s ALA 77 CO 0.76 -1.16 -0.11 0.14 0.00 0.00 0.00 175.76 175.39 1bnm s VAL 78 N 2.16 1.54 -0.11 0.00 -7.23 -1.07 -1.14 120.40 114.56 1bnm s VAL 78 Ca 0.03 -2.15 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 1bnm s VAL 78 Cb -0.16 -2.10 0.01 0.00 0.56 0.00 0.00 36.38 34.69 1bnm s VAL 78 CO -0.09 -0.55 -0.17 -0.22 -0.31 0.00 0.00 175.10 173.75 1bnm s LEU 79 N -3.31 1.82 0.00 1.32 0.20 0.42 -1.23 118.68 117.91 1bnm s LEU 79 Ca 0.23 -0.46 0.04 0.00 0.69 0.00 0.00 54.13 54.63 1bnm s LEU 79 Cb 0.01 -1.16 -0.01 0.00 -0.43 0.00 0.00 46.19 44.60 1bnm s LEU 79 CO 0.07 0.05 0.13 0.29 -0.29 0.00 0.00 176.35 176.59 1bnm n LYS 80 N 4.06 0.44 0.00 1.98 5.02 0.42 -1.96 118.16 128.11 1bnm n LYS 80 Ca -0.20 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 1bnm n LYS 80 Cb 0.52 1.38 0.00 0.00 -0.02 0.00 0.00 35.03 36.90 1bnm n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bnm n GLY 81 N -0.01 -0.73 7.00 0.72 0.00 -1.26 -0.49 105.19 110.41 1bnm n GLY 81 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1bnm n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bnm n GLY 82 N 0.00 3.34 0.23 -0.02 0.00 0.50 -1.55 105.19 107.69 1bnm n GLY 82 Ca 0.00 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1bnm n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bnm n PRO 83 N 13.97 1.32 -3.37 1.61 -0.04 -1.26 -3.74 135.00 143.49 1bnm n PRO 83 Ca 0.00 -0.47 -0.31 0.00 -0.04 0.00 0.00 63.50 62.69 1bnm n PRO 83 Cb 0.00 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.97 1bnm n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bnm s LEU 84 N -1.88 4.12 -0.13 1.53 1.43 -0.60 -5.08 118.68 118.07 1bnm s LEU 84 Ca 0.40 0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1bnm s LEU 84 Cb 0.20 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1bnm s LEU 84 CO 0.32 -0.13 0.00 -0.62 0.23 0.00 0.00 176.35 176.16 1bnm s ASP 85 N -2.68 2.26 0.00 2.29 2.15 -1.26 -4.44 116.67 114.98 1bnm s ASP 85 Ca 0.46 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.00 1bnm s ASP 85 Cb -0.11 -0.58 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 1bnm s ASP 85 CO 0.25 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 1bnm n GLY 86 N 5.07 1.13 3.37 2.66 0.00 -1.26 -5.01 105.19 111.15 1bnm n GLY 86 Ca -0.09 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1bnm n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bnm s THR 87 N -1.28 3.37 -0.24 2.61 2.01 -1.26 -4.71 115.64 116.14 1bnm s THR 87 Ca 0.00 -0.52 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 1bnm s THR 87 Cb 0.00 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 1bnm s THR 87 CO 0.00 0.47 0.14 -0.31 -0.69 0.00 0.00 174.62 174.23 1bnm s TYR 88 N 0.87 3.25 -0.13 4.92 1.51 -0.83 -1.23 117.35 125.73 1bnm s TYR 88 Ca -0.02 0.08 -0.18 0.00 -1.01 0.00 0.00 57.07 55.95 1bnm s TYR 88 Cb -0.15 -2.26 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 1bnm s TYR 88 CO 0.01 -0.03 0.46 0.50 -1.11 0.00 0.00 175.55 175.38 1bnm s ARG 89 N 1.18 4.32 0.14 -0.62 3.52 -0.05 -0.44 118.95 127.00 1bnm s ARG 89 Ca 0.07 0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 55.77 1bnm s ARG 89 Cb -0.14 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.73 1bnm s ARG 89 CO 0.05 0.15 1.30 -1.17 -0.81 0.00 0.00 175.30 174.82 1bnm s LEU 90 N 0.67 4.40 0.00 -0.88 2.96 -0.29 -1.29 118.68 124.25 1bnm s LEU 90 Ca 0.25 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1bnm s LEU 90 Cb -0.15 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1bnm s LEU 90 CO 0.10 -0.54 0.00 0.00 -1.32 0.00 0.00 176.35 174.59 1bnm n ILE 91 N 3.34 0.00 -3.58 6.68 3.06 -0.61 -4.35 119.36 123.89 1bnm n ILE 91 Ca 0.08 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.28 1bnm n ILE 91 Cb 0.44 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 1bnm n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1bnm s GLN 92 N -1.99 0.63 0.02 9.51 1.03 -1.23 -0.82 119.66 126.81 1bnm s GLN 92 Ca 0.00 -0.27 -0.02 0.00 0.04 0.00 0.00 55.36 55.12 1bnm s GLN 92 Cb 0.00 0.26 -0.02 0.00 0.03 0.00 0.00 33.01 33.29 1bnm s GLN 92 CO 0.00 -0.28 0.01 -0.59 -2.54 0.00 0.00 175.29 171.89 1bnm s PHE 93 N -2.80 0.21 0.33 9.60 -0.12 -0.80 -0.79 117.98 123.63 1bnm s PHE 93 Ca 0.09 -0.44 -0.05 0.00 -0.05 0.00 0.00 56.93 56.47 1bnm s PHE 93 Cb -0.00 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.24 1bnm s PHE 93 CO -0.05 -0.21 0.51 -3.38 -0.05 0.00 0.00 175.22 172.03 1bnm s HIS 94 N -1.45 0.87 0.15 3.49 -3.43 -0.78 -1.91 115.29 112.22 1bnm s HIS 94 Ca -0.16 -1.17 0.05 0.00 -0.80 0.00 0.00 55.06 52.98 1bnm s HIS 94 Cb -0.09 0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.06 1bnm s HIS 94 CO -0.00 -1.16 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.40 1bnm s PHE 95 N -3.10 1.32 -0.07 0.38 0.40 -1.26 -1.09 117.98 114.56 1bnm s PHE 95 Ca 0.28 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1bnm s PHE 95 Cb -0.01 -0.66 0.02 0.00 0.51 0.00 0.00 43.02 42.88 1bnm s PHE 95 CO 0.18 0.12 -0.07 -1.01 0.70 0.00 0.00 175.22 175.13 1bnm s HIS 96 N -3.10 1.16 0.29 0.36 3.76 -0.73 -4.82 115.29 112.22 1bnm s HIS 96 Ca 0.16 -0.44 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1bnm s HIS 96 Cb 0.01 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 1bnm s HIS 96 CO 0.01 -0.31 0.20 1.67 -0.85 0.00 0.00 174.74 175.47 1bnm s TRP 97 N 1.12 1.56 0.47 1.40 -2.14 -1.25 -0.95 118.94 119.15 1bnm s TRP 97 Ca -0.07 -1.50 0.03 0.00 2.66 0.00 0.00 56.10 57.22 1bnm s TRP 97 Cb -0.14 -0.73 -0.03 0.00 -3.10 0.00 0.00 33.47 29.46 1bnm s TRP 97 CO -0.01 -0.69 0.02 0.20 -2.66 0.00 0.00 176.95 173.81 1bnm s GLY 98 N -3.33 2.83 0.42 3.67 0.00 -1.18 -1.26 107.32 108.47 1bnm s GLY 98 Ca 0.38 -0.96 0.22 0.00 0.00 0.00 0.00 44.72 44.36 1bnm s GLY 98 CO 0.20 -2.12 1.59 1.48 0.00 0.00 0.00 173.10 174.26 1bnm h SER 99 N 1.53 0.00 -3.48 1.64 4.64 -1.88 -3.40 113.55 112.60 1bnm h SER 99 Ca -0.43 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.49 1bnm h SER 99 Cb 1.29 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.24 1bnm h SER 99 CO 0.73 0.08 -0.73 -0.76 -0.87 0.00 0.00 176.83 175.29 1bnm s LEU 100 N -6.25 2.55 0.49 5.97 1.43 -1.26 -5.06 118.68 116.54 1bnm s LEU 100 Ca 0.06 -1.02 0.22 0.00 -1.03 0.00 0.00 54.13 52.37 1bnm s LEU 100 Cb 0.06 -0.56 1.27 0.00 0.03 0.00 0.00 46.19 46.99 1bnm s LEU 100 CO 0.68 -0.23 2.03 0.44 0.23 0.00 0.00 176.35 179.50 1bnm h ASP 101 N 2.64 0.00 -0.40 2.29 3.32 -1.92 -3.14 116.42 119.20 1bnm h ASP 101 Ca -0.38 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1bnm h ASP 101 Cb 1.21 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1bnm h ASP 101 CO 0.63 0.15 0.18 0.61 -1.72 0.00 0.00 179.24 179.09 1bnm n GLY 102 N -0.79 2.80 3.49 2.75 0.00 -1.26 -3.04 105.19 109.13 1bnm n GLY 102 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1bnm n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bnm s GLN 103 N -1.76 1.08 0.00 1.61 -2.07 -1.19 -4.71 119.66 112.63 1bnm s GLN 103 Ca 0.28 -0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.74 1bnm s GLN 103 Cb 0.23 0.50 0.00 0.00 -1.09 0.00 0.00 33.01 32.65 1bnm s GLN 103 CO 0.07 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.04 1bnm n GLY 104 N 0.30 3.93 3.78 2.60 0.00 -0.96 -3.19 105.19 111.65 1bnm n GLY 104 Ca -0.17 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1bnm n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnm s SER 105 N 0.00 6.03 -0.15 1.61 1.04 0.65 -3.74 113.70 119.14 1bnm s SER 105 Ca 0.00 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.41 1bnm s SER 105 Cb 0.00 -2.58 -0.24 0.00 0.10 0.00 0.00 66.02 63.30 1bnm s SER 105 CO 0.00 -1.00 0.32 -0.62 0.98 0.00 0.00 173.24 172.92 1bnm n GLU 106 N -1.04 0.70 -2.92 4.02 1.02 -1.26 -4.74 120.64 116.42 1bnm n GLU 106 Ca 0.10 0.36 -0.32 0.00 -0.02 0.00 0.00 57.16 57.28 1bnm n GLU 106 Cb 0.51 -1.72 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1bnm n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bnm s HIS 107 N -2.50 3.39 0.16 -0.32 3.76 -1.26 -4.37 115.29 114.15 1bnm s HIS 107 Ca -0.24 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.04 1bnm s HIS 107 Cb 0.06 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1bnm s HIS 107 CO 0.72 -0.05 -0.14 0.95 -0.85 0.00 0.00 174.74 175.36 1bnm s THR 108 N -2.19 1.54 -0.22 1.30 -4.23 -1.23 -4.68 115.64 105.94 1bnm s THR 108 Ca 0.56 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1bnm s THR 108 Cb -0.10 -1.81 0.03 0.00 1.34 0.00 0.00 72.50 71.96 1bnm s THR 108 CO 0.21 -0.50 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.97 1bnm s VAL 109 N -2.56 2.46 -1.45 2.29 1.01 -0.28 -1.47 120.40 120.39 1bnm s VAL 109 Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1bnm s VAL 109 Cb -0.03 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.24 1bnm s VAL 109 CO 0.05 0.34 0.75 0.47 0.00 0.00 0.00 175.10 176.71 1bnm n ASP 110 N 4.62 -4.80 0.00 3.32 8.00 0.14 0.02 116.55 127.85 1bnm n ASP 110 Ca -0.18 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1bnm n ASP 110 Cb 0.48 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 1bnm n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bnm n LYS 111 N -4.25 0.00 -2.67 -1.24 4.76 -1.26 -5.01 118.16 108.48 1bnm n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 1bnm n LYS 111 Cb 0.55 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 1bnm n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1bnm s LYS 112 N -0.00 4.49 0.14 1.97 2.20 0.10 -4.97 119.74 123.67 1bnm s LYS 112 Ca 0.00 1.44 -0.02 0.00 -0.36 0.00 0.00 55.97 57.03 1bnm s LYS 112 Cb 0.00 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1bnm s LYS 112 CO 0.00 -0.18 0.34 0.15 -0.36 0.00 0.00 175.35 175.30 1bnm s LYS 113 N 1.43 3.55 0.28 4.03 1.02 -1.26 -1.13 119.74 127.66 1bnm s LYS 113 Ca 0.51 -0.25 0.10 0.00 0.02 0.00 0.00 55.97 56.35 1bnm s LYS 113 Cb -0.21 -2.89 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1bnm s LYS 113 CO 0.24 0.48 -0.05 0.71 -0.92 0.00 0.00 175.35 175.81 1bnm s TYR 114 N -1.68 2.57 0.50 3.18 2.02 -1.26 -4.69 117.35 117.99 1bnm s TYR 114 Ca 0.39 -0.28 0.22 0.00 -0.37 0.00 0.00 57.07 57.03 1bnm s TYR 114 Cb -0.12 -1.18 1.29 0.00 -0.40 0.00 0.00 41.96 41.55 1bnm s TYR 114 CO 0.27 0.62 1.99 0.00 -1.57 0.00 0.00 175.55 176.86 1bnm h ALA 115 N 1.97 2.36 -2.63 3.71 0.00 -1.42 0.19 119.26 123.44 1bnm h ALA 115 Ca -0.43 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.59 1bnm h ALA 115 Cb 1.25 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1bnm h ALA 115 CO 0.61 -0.51 0.48 0.00 0.00 0.00 0.00 179.25 179.83 1bnm s ALA 116 N -5.13 -1.39 -0.12 0.00 0.00 -1.18 -3.10 121.76 110.84 1bnm s ALA 116 Ca -0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1bnm s ALA 116 Cb 0.20 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.09 1bnm s ALA 116 CO 0.74 -1.04 0.30 -2.00 0.00 0.00 0.00 175.76 173.75 1bnm s GLU 117 N -2.50 0.26 -0.12 0.00 2.12 -0.13 -2.18 118.70 116.15 1bnm s GLU 117 Ca 0.18 0.61 -0.11 0.00 0.36 0.00 0.00 54.97 56.01 1bnm s GLU 117 Cb -0.03 -0.09 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 1bnm s GLU 117 CO 0.06 -0.16 0.25 -1.17 -0.54 0.00 0.00 175.26 173.69 1bnm s LEU 118 N 1.33 4.33 -0.20 2.70 2.96 0.61 -1.77 118.68 128.65 1bnm s LEU 118 Ca -0.09 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1bnm s LEU 118 Cb -0.10 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1bnm s LEU 118 CO -0.10 0.26 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.12 1bnm s HIS 119 N -0.35 2.15 -0.51 5.38 3.76 -0.25 -0.37 115.29 125.10 1bnm s HIS 119 Ca 0.16 -1.45 -0.17 0.00 -0.15 0.00 0.00 55.06 53.46 1bnm s HIS 119 Cb -0.13 -1.51 0.08 0.00 1.11 0.00 0.00 32.58 32.13 1bnm s HIS 119 CO 0.05 -0.71 0.51 -0.51 -0.85 0.00 0.00 174.74 173.24 1bnm s LEU 120 N 1.48 5.47 -0.13 0.89 1.43 -0.45 -1.87 118.68 125.51 1bnm s LEU 120 Ca -0.02 -1.27 -0.26 0.00 -1.03 0.00 0.00 54.13 51.55 1bnm s LEU 120 Cb -0.16 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 1bnm s LEU 120 CO -0.08 -0.80 0.86 -0.69 0.23 0.00 0.00 176.35 175.88 1bnm s VAL 121 N 2.05 4.88 0.18 -1.59 1.01 0.03 -1.96 120.40 125.01 1bnm s VAL 121 Ca 0.08 1.73 0.09 0.00 0.00 0.00 0.00 61.98 63.88 1bnm s VAL 121 Cb -0.23 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1bnm s VAL 121 CO 0.08 0.07 -0.19 -1.00 0.00 0.00 0.00 175.10 174.06 1bnm s HIS 122 N 1.82 1.90 -0.01 5.22 3.76 -0.27 -1.58 115.29 126.13 1bnm s HIS 122 Ca 0.42 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1bnm s HIS 122 Cb -0.17 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1bnm s HIS 122 CO 0.16 0.38 -0.13 1.67 -0.85 0.00 0.00 174.74 175.96 1bnm s TRP 123 N -2.12 1.19 -0.34 1.40 1.48 -0.41 -1.94 118.94 118.20 1bnm s TRP 123 Ca 0.18 -0.23 -0.28 0.00 -1.06 0.00 0.00 56.10 54.71 1bnm s TRP 123 Cb -0.05 -0.77 -0.04 0.00 -1.16 0.00 0.00 33.47 31.45 1bnm s TRP 123 CO 0.08 -0.03 2.09 1.21 -4.06 0.00 0.00 176.95 176.23 1bnm s ASN 124 N -0.27 5.40 0.58 -2.66 3.84 1.00 -0.87 114.94 121.95 1bnm s ASN 124 Ca 0.04 1.42 0.38 0.00 0.21 0.00 0.00 52.86 54.92 1bnm s ASN 124 Cb -0.05 -2.52 2.07 0.00 -0.55 0.00 0.00 41.25 40.20 1bnm s ASN 124 CO -0.00 -2.08 2.16 0.71 -2.79 0.00 0.00 177.10 175.10 1bnm h THR 125 N 7.11 0.00 0.00 -5.21 1.35 -1.50 -1.72 112.91 112.94 1bnm h THR 125 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1bnm h THR 125 Cb 1.21 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1bnm h THR 125 CO 1.04 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.60 1bnm n LYS 127 N -2.86 0.10 0.00 4.72 2.85 -1.26 -2.06 118.16 119.65 1bnm n LYS 127 Ca -0.03 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.58 1bnm n LYS 127 Cb 0.08 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.11 1bnm n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1bnm n TYR 128 N -1.37 0.00 0.00 5.58 4.01 -0.65 -5.04 117.16 119.69 1bnm n TYR 128 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1bnm n TYR 128 Cb 0.11 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1bnm n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bnm n GLY 129 N 1.36 1.83 3.70 2.72 0.00 -0.88 -4.57 105.19 109.35 1bnm n GLY 129 Ca 0.12 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1bnm n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bnm s ASP 130 N -4.00 3.86 0.07 1.61 1.47 -1.26 -4.97 116.67 113.44 1bnm s ASP 130 Ca 0.00 -1.60 -0.23 0.00 1.18 0.00 0.00 52.55 51.90 1bnm s ASP 130 Cb 0.00 0.35 -0.15 0.00 -0.34 0.00 0.00 42.92 42.78 1bnm s ASP 130 CO 0.00 -0.79 1.61 0.15 0.68 0.00 0.00 175.17 176.82 1bnm h PHE 131 N 1.50 0.05 -0.16 2.11 3.57 -1.95 -2.64 116.94 119.42 1bnm h PHE 131 Ca -0.43 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.12 1bnm h PHE 131 Cb 1.30 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1bnm h PHE 131 CO 1.36 0.17 0.32 0.78 -2.23 0.00 0.00 178.31 178.71 1bnm h GLY 132 N -0.08 0.00 0.66 2.40 0.00 -1.97 0.17 103.07 104.26 1bnm h GLY 132 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.01 1bnm h GLY 132 CO -0.00 0.00 -1.71 0.50 0.00 0.00 0.00 176.54 175.33 1bnm h LYS 133 N 0.00 0.29 -0.71 4.80 1.79 -1.79 -3.35 116.57 117.59 1bnm h LYS 133 Ca 0.08 -0.49 0.15 0.00 -2.18 0.00 0.00 60.65 58.20 1bnm h LYS 133 Cb 0.71 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.50 1bnm h LYS 133 CO -0.00 1.24 0.48 0.00 -1.08 0.00 0.00 179.45 180.08 1bnm h ALA 134 N 0.02 2.17 0.00 3.86 0.00 -0.63 0.16 119.26 124.84 1bnm h ALA 134 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1bnm h ALA 134 Cb 1.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1bnm h ALA 134 CO 0.09 -0.36 0.00 1.33 0.00 0.00 0.00 179.25 180.31 1bnm n VAL 135 N -4.46 0.00 -1.01 0.00 0.24 -0.86 -2.14 118.33 110.09 1bnm n VAL 135 Ca 0.13 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.51 1bnm n VAL 135 Cb 0.53 -0.24 0.11 0.00 -1.47 0.00 0.00 33.84 32.78 1bnm n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bnm n GLN 136 N -0.24 1.37 -4.09 7.34 6.02 0.55 -4.97 117.38 123.36 1bnm n GLN 136 Ca 0.00 -2.33 -0.15 0.00 -0.01 0.00 0.00 57.00 54.51 1bnm n GLN 136 Cb 0.10 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 29.85 1bnm n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bnm s GLN 137 N -2.45 0.33 0.19 -1.09 -1.52 -0.91 -5.04 119.66 109.17 1bnm s GLN 137 Ca 0.26 -0.15 0.15 0.00 -1.95 0.00 0.00 55.36 53.66 1bnm s GLN 137 Cb 0.23 -0.31 0.76 0.00 -0.22 0.00 0.00 33.01 33.46 1bnm s GLN 137 CO 0.02 0.08 1.45 -0.35 -0.25 0.00 0.00 175.29 176.25 1bnm n PRO 138 N 2.95 0.09 -0.77 2.91 -0.04 -1.26 -0.93 135.00 137.96 1bnm n PRO 138 Ca -0.13 0.54 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1bnm n PRO 138 Cb 0.59 -1.78 0.10 0.00 -0.04 0.00 0.00 33.50 32.36 1bnm n PRO 138 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bnm n ASP 139 N -1.97 1.27 0.16 3.54 5.75 -1.25 -4.39 116.55 119.65 1bnm n ASP 139 Ca -0.00 -2.77 0.01 0.00 -0.01 0.00 0.00 54.79 52.01 1bnm n ASP 139 Cb 0.06 -0.37 0.25 0.00 -1.03 0.00 0.00 41.12 40.02 1bnm n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bnm h GLY 140 N 0.62 0.00 -3.89 6.12 0.00 -0.80 -3.42 103.07 101.70 1bnm h GLY 140 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.82 1bnm h GLY 140 CO 0.03 0.00 -0.77 1.08 0.00 0.00 0.00 176.54 176.88 1bnm s LEU 141 N -7.66 2.36 -0.09 3.11 1.43 0.08 -0.00 118.68 117.90 1bnm s LEU 141 Ca -0.01 -0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 52.33 1bnm s LEU 141 Cb 0.13 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.78 1bnm s LEU 141 CO 0.74 -0.10 -0.05 0.00 0.23 0.00 0.00 176.35 177.17 1bnm s ALA 142 N -1.80 1.08 -0.14 4.21 0.00 -0.82 -0.44 121.76 123.85 1bnm s ALA 142 Ca 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 1bnm s ALA 142 Cb -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1bnm s ALA 142 CO 0.03 -0.41 -0.12 0.08 0.00 0.00 0.00 175.76 175.34 1bnm s VAL 143 N 1.77 3.07 -0.35 0.00 1.01 -0.91 -1.11 120.40 123.88 1bnm s VAL 143 Ca 0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1bnm s VAL 143 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 1bnm s VAL 143 CO -0.07 0.51 0.34 -0.22 0.00 0.00 0.00 175.10 175.67 1bnm s LEU 144 N 0.49 4.51 -0.13 3.92 0.20 -0.83 -1.53 118.68 125.30 1bnm s LEU 144 Ca -0.09 -0.32 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 1bnm s LEU 144 Cb -0.16 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.27 1bnm s LEU 144 CO 0.04 -0.34 0.09 -0.83 -0.29 0.00 0.00 176.35 175.03 1bnm s GLY 145 N 1.73 2.02 -0.04 7.98 0.00 0.87 -1.34 107.32 118.55 1bnm s GLY 145 Ca 0.10 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1bnm s GLY 145 CO 0.11 -0.27 -0.08 -0.42 0.00 0.00 0.00 173.10 172.44 1bnm s ILE 146 N -0.54 0.78 0.16 0.90 1.01 0.50 -2.11 121.20 121.89 1bnm s ILE 146 Ca 0.11 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 1bnm s ILE 146 Cb -0.12 -0.73 -0.08 0.00 0.01 0.00 0.00 42.46 41.55 1bnm s ILE 146 CO 0.02 0.26 0.70 -0.36 0.00 0.00 0.00 174.94 175.56 1bnm s PHE 147 N 0.54 3.79 -0.14 3.97 0.08 -1.26 -0.28 117.98 124.68 1bnm s PHE 147 Ca -0.09 1.45 -0.00 0.00 0.12 0.00 0.00 56.93 58.41 1bnm s PHE 147 Cb -0.12 -2.64 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1bnm s PHE 147 CO 0.01 0.48 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.96 1bnm s LEU 148 N -1.43 2.66 0.09 -0.37 1.02 -0.93 -0.04 118.68 119.70 1bnm s LEU 148 Ca 0.36 -0.36 0.10 0.00 0.02 0.00 0.00 54.13 54.25 1bnm s LEU 148 Cb -0.20 -1.60 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1bnm s LEU 148 CO 0.23 0.14 -0.25 -1.59 0.02 0.00 0.00 176.35 174.90 1bnm s LYS 149 N 0.50 1.65 0.23 1.70 -2.85 0.72 -2.68 119.74 119.00 1bnm s LYS 149 Ca -0.09 -1.21 -0.30 0.00 -1.00 0.00 0.00 55.97 53.37 1bnm s LYS 149 Cb -0.16 -1.98 -0.09 0.00 -2.06 0.00 0.00 37.83 33.55 1bnm s LYS 149 CO 0.04 0.48 1.06 0.08 0.10 0.00 0.00 175.35 177.12 1bnm s VAL 150 N -0.97 3.79 0.00 1.79 1.01 -1.26 -0.50 120.40 124.26 1bnm s VAL 150 Ca 0.14 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1bnm s VAL 150 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1bnm s VAL 150 CO 0.05 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1bnm n GLY 151 N 1.62 -0.42 3.78 4.51 0.00 0.21 -4.80 105.19 110.09 1bnm n GLY 151 Ca 0.00 0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 1bnm n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bnm s SER 152 N -4.00 6.93 0.33 1.61 1.04 -1.26 -3.52 113.70 114.84 1bnm s SER 152 Ca 0.00 1.99 -0.29 0.00 0.48 0.00 0.00 55.95 58.13 1bnm s SER 152 Cb 0.00 -2.58 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 1bnm s SER 152 CO 0.00 -0.37 1.46 0.00 0.98 0.00 0.00 173.24 175.32 1bnm n ALA 153 N 0.13 2.04 -2.52 5.32 0.00 -1.26 -3.00 120.51 121.21 1bnm n ALA 153 Ca 0.04 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.41 1bnm n ALA 153 Cb 0.50 -2.38 -0.07 0.00 0.00 0.00 0.00 19.45 17.50 1bnm n ALA 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bnm s LYS 154 N -1.43 3.31 0.13 0.00 2.47 -1.19 -4.80 119.74 118.22 1bnm s LYS 154 Ca 0.58 -0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 54.37 1bnm s LYS 154 Cb -0.52 -3.94 -0.05 0.00 -1.46 0.00 0.00 37.83 31.86 1bnm s LYS 154 CO 0.58 -1.00 1.58 -1.35 0.16 0.00 0.00 175.35 175.32 1bnm h PRO 155 N 8.86 -0.46 0.00 4.03 0.11 -1.90 -2.22 132.00 140.42 1bnm h PRO 155 Ca -0.25 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1bnm h PRO 155 Cb 1.10 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1bnm h PRO 155 CO 0.89 -0.31 0.07 0.41 -0.21 0.00 0.00 178.00 178.86 1bnm n GLY 156 N -1.43 -0.71 0.09 -0.55 0.00 -1.26 -1.39 105.19 99.94 1bnm n GLY 156 Ca -0.04 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1bnm n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bnm h LEU 157 N 0.00 0.00 -1.89 0.99 5.85 -1.65 -3.38 115.31 115.23 1bnm h LEU 157 Ca 0.00 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 1bnm h LEU 157 Cb 0.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1bnm h LEU 157 CO 0.00 0.70 0.40 -0.61 -0.34 0.00 0.00 178.44 178.58 1bnm h GLN 158 N 0.00 0.11 -0.35 1.25 5.75 -1.21 -0.46 115.11 120.20 1bnm h GLN 158 Ca -0.16 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1bnm h GLN 158 Cb 1.67 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 30.18 1bnm h GLN 158 CO 0.06 0.07 0.12 -0.22 -2.65 0.00 0.00 178.83 176.22 1bnm h LYS 159 N 0.11 0.50 0.03 1.69 3.64 -1.75 -1.26 116.57 119.53 1bnm h LYS 159 Ca 0.27 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.33 1bnm h LYS 159 Cb 0.92 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1bnm h LYS 159 CO -0.03 0.43 -1.03 0.28 -2.27 0.00 0.00 179.45 176.83 1bnm h VAL 160 N 0.50 1.30 -0.69 2.00 2.07 -1.36 -3.25 116.25 116.82 1bnm h VAL 160 Ca 0.12 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 1bnm h VAL 160 Cb 0.13 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1bnm h VAL 160 CO -0.01 0.70 0.41 0.58 0.02 0.00 0.00 177.57 179.27 1bnm h VAL 161 N 0.28 1.19 -0.70 2.57 2.07 -1.04 -2.76 116.25 117.87 1bnm h VAL 161 Ca -0.14 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1bnm h VAL 161 Cb 1.70 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1bnm h VAL 161 CO 0.20 0.20 0.19 0.44 0.02 0.00 0.00 177.57 178.63 1bnm h ASP 162 N 0.95 1.05 1.06 0.57 3.32 -1.29 -3.01 116.42 119.06 1bnm h ASP 162 Ca 0.25 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1bnm h ASP 162 Cb -0.03 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1bnm h ASP 162 CO -0.05 1.00 0.00 0.55 -1.72 0.00 0.00 179.24 179.02 1bnm n VAL 163 N -4.27 0.68 0.12 -1.35 3.14 -1.05 -3.93 118.33 111.67 1bnm n VAL 163 Ca 0.05 -0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.49 1bnm n VAL 163 Cb 0.24 -0.86 0.37 0.00 -1.06 0.00 0.00 33.84 32.53 1bnm n VAL 163 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bnm n LEU 164 N -2.16 0.35 -0.02 6.55 4.77 -1.14 -1.75 117.00 123.60 1bnm n LEU 164 Ca 0.04 0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1bnm n LEU 164 Cb 0.32 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1bnm n LEU 164 CO 0.25 -0.74 0.37 0.44 -1.33 0.00 0.00 177.39 176.38 1bnm h ASP 165 N 0.00 0.81 -0.03 -1.43 3.32 -1.82 -3.19 116.42 114.09 1bnm h ASP 165 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1bnm h ASP 165 Cb 0.18 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1bnm h ASP 165 CO 0.00 1.25 0.00 -1.54 -1.72 0.00 0.00 179.24 177.23 1bnm n SER 166 N -3.94 0.21 -2.25 6.45 3.41 -0.72 -3.51 113.62 113.27 1bnm n SER 166 Ca -0.05 -1.64 0.01 0.00 -0.26 0.00 0.00 58.87 56.93 1bnm n SER 166 Cb 0.68 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.65 1bnm n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1bnm n ILE 167 N -0.56 0.68 -0.33 -1.33 -5.35 -1.21 -4.49 119.36 106.77 1bnm n ILE 167 Ca 0.10 -1.99 0.02 0.00 -0.27 0.00 0.00 62.75 60.60 1bnm n ILE 167 Cb 0.08 1.15 0.16 0.00 -1.74 0.00 0.00 39.64 39.28 1bnm n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1bnm h LYS 168 N 1.83 0.98 -6.26 6.28 3.64 -1.59 -3.41 116.57 118.03 1bnm h LYS 168 Ca -0.20 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.53 1bnm h LYS 168 Cb 1.52 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 33.03 1bnm h LYS 168 CO 0.12 0.65 -0.61 0.95 -2.27 0.00 0.00 179.45 178.29 1bnm s THR 169 N -6.05 4.12 0.05 1.00 -4.23 -1.26 0.40 115.64 109.66 1bnm s THR 169 Ca -0.12 -1.24 -0.37 0.00 -1.18 0.00 0.00 61.69 58.78 1bnm s THR 169 Cb 0.19 -3.08 -0.16 0.00 1.34 0.00 0.00 72.50 70.79 1bnm s THR 169 CO 0.80 -0.10 1.43 1.17 -0.54 0.00 0.00 174.62 177.37 1bnm n LYS 170 N -0.21 1.28 0.00 3.99 4.81 0.46 -2.13 118.16 126.36 1bnm n LYS 170 Ca -0.09 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1bnm n LYS 170 Cb 0.55 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.47 1bnm n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bnm n GLY 171 N 2.87 3.01 3.79 3.14 0.00 11.20 -4.52 105.19 124.68 1bnm n GLY 171 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1bnm n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bnm s LYS 172 N -0.48 2.91 0.32 1.61 1.02 -0.91 -4.87 119.74 119.34 1bnm s LYS 172 Ca 0.00 1.23 -0.12 0.00 0.02 0.00 0.00 55.97 57.10 1bnm s LYS 172 Cb 0.00 -1.98 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1bnm s LYS 172 CO 0.00 -1.14 0.60 -1.54 -0.92 0.00 0.00 175.35 172.35 1bnm s SER 173 N -2.96 0.19 -0.08 2.83 1.04 -1.26 -1.64 113.70 111.83 1bnm s SER 173 Ca 0.64 -1.10 -0.30 0.00 0.48 0.00 0.00 55.95 55.66 1bnm s SER 173 Cb -0.17 0.71 0.09 0.00 0.10 0.00 0.00 66.02 66.74 1bnm s SER 173 CO 0.44 -1.38 0.80 0.00 0.98 0.00 0.00 173.24 174.09 1bnm s ALA 174 N -3.23 -1.83 0.26 5.32 0.00 -0.44 -4.83 121.76 117.01 1bnm s ALA 174 Ca 0.21 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 1bnm s ALA 174 Cb -0.03 -0.21 -0.10 0.00 0.00 0.00 0.00 23.12 22.79 1bnm s ALA 174 CO 0.13 -0.38 1.42 -0.51 0.00 0.00 0.00 175.76 176.42 1bnm s ASP 175 N -1.28 6.67 -0.42 0.00 1.01 -1.26 -1.90 116.67 119.49 1bnm s ASP 175 Ca -0.06 2.66 0.07 0.00 0.71 0.00 0.00 52.55 55.93 1bnm s ASP 175 Cb -0.00 -2.63 0.24 0.00 1.01 0.00 0.00 42.92 41.54 1bnm s ASP 175 CO 0.05 -0.68 0.61 0.33 0.21 0.00 0.00 175.17 175.69 1bnm n PHE 176 N 2.16 -1.25 -2.55 4.23 7.35 0.47 -4.79 117.46 123.09 1bnm n PHE 176 Ca 0.06 -3.03 -0.22 0.00 -0.76 0.00 0.00 57.45 53.49 1bnm n PHE 176 Cb 0.40 0.22 0.05 0.00 0.35 0.00 0.00 39.48 40.50 1bnm n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bnm s THR 177 N -0.59 2.52 -1.46 -2.13 -4.23 -1.24 -3.02 115.64 105.49 1bnm s THR 177 Ca 0.34 -0.58 -0.12 0.00 -1.18 0.00 0.00 61.69 60.15 1bnm s THR 177 Cb 0.18 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 71.17 1bnm s THR 177 CO -0.15 0.00 0.71 0.59 -0.54 0.00 0.00 174.62 175.23 1bnm n ASN 178 N -2.52 -4.17 -4.71 3.99 3.02 -1.25 -4.91 115.26 104.70 1bnm n ASN 178 Ca 0.09 -0.61 -0.36 0.00 -0.03 0.00 0.00 54.58 53.67 1bnm n ASN 178 Cb 0.60 -3.39 -0.08 0.00 -0.61 0.00 0.00 39.78 36.29 1bnm n ASN 178 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1bnm s PHE 179 N -3.12 3.40 -0.51 3.10 5.36 -1.26 -5.01 117.98 119.93 1bnm s PHE 179 Ca 0.54 0.37 -0.20 0.00 -0.96 0.00 0.00 56.93 56.69 1bnm s PHE 179 Cb -0.28 -2.24 0.06 0.00 -0.34 0.00 0.00 43.02 40.22 1bnm s PHE 179 CO 0.67 0.22 0.66 0.34 -1.46 0.00 0.00 175.22 175.64 1bnm s ASP 180 N 0.57 6.24 0.50 6.13 2.15 -1.26 -4.42 116.67 126.58 1bnm s ASP 180 Ca 0.10 -0.85 0.34 0.00 0.43 0.00 0.00 52.55 52.57 1bnm s ASP 180 Cb -0.12 -2.31 1.66 0.00 -0.30 0.00 0.00 42.92 41.85 1bnm s ASP 180 CO 0.01 -0.93 2.02 1.55 -0.17 0.00 0.00 175.17 177.65 1bnm h PRO 181 N 9.03 0.00 0.00 4.34 0.13 -1.93 -2.73 132.00 140.84 1bnm h PRO 181 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1bnm h PRO 181 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bnm h PRO 181 CO 0.98 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.29 1bnm n ARG 182 N -2.78 0.11 0.00 0.86 1.74 -1.26 -1.11 116.66 114.22 1bnm n ARG 182 Ca -0.01 0.54 0.15 0.00 -0.77 0.00 0.00 57.85 57.76 1bnm n ARG 182 Cb 0.15 -1.82 0.77 0.00 -1.02 0.00 0.00 32.46 30.55 1bnm n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bnm n GLY 183 N -1.01 -0.98 0.66 -0.13 0.00 -1.03 -3.25 105.19 99.44 1bnm n GLY 183 Ca -0.00 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1bnm n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bnm n LEU 184 N -0.97 2.37 -4.82 0.99 4.77 -0.27 -4.31 117.00 114.77 1bnm n LEU 184 Ca 0.18 -0.99 -0.38 0.00 -0.03 0.00 0.00 56.01 54.79 1bnm n LEU 184 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1bnm n LEU 184 CO 0.21 0.42 0.26 -0.76 -1.33 0.00 0.00 177.39 176.18 1bnm s LEU 185 N -1.42 4.50 0.00 2.23 1.43 -1.20 -4.92 118.68 119.30 1bnm s LEU 185 Ca 0.19 1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1bnm s LEU 185 Cb 0.14 -2.94 0.25 0.00 0.03 0.00 0.00 46.19 43.67 1bnm s LEU 185 CO 0.22 0.25 0.91 -0.81 0.23 0.00 0.00 176.35 177.15 1bnm n PRO 186 N 1.58 -2.75 0.02 1.29 -0.04 -1.26 -4.98 135.00 128.85 1bnm n PRO 186 Ca -0.10 -1.45 -0.18 0.00 -0.04 0.00 0.00 63.50 61.73 1bnm n PRO 186 Cb 0.51 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1bnm n PRO 186 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bnm h GLU 187 N 0.00 0.44 -6.02 0.54 5.08 -1.91 -3.45 114.58 109.26 1bnm h GLU 187 Ca -0.34 -0.50 -0.61 0.00 -1.00 0.00 0.00 59.36 56.91 1bnm h GLU 187 Cb 1.04 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1bnm h GLU 187 CO 0.22 1.16 -0.19 0.45 -1.00 0.00 0.00 179.01 179.65 1bnm s SER 188 N -6.86 6.82 -0.12 1.42 0.15 -1.26 -4.99 113.70 108.85 1bnm s SER 188 Ca -0.13 0.98 0.16 0.00 0.70 0.00 0.00 55.95 57.67 1bnm s SER 188 Cb 0.04 -2.26 0.69 0.00 -1.71 0.00 0.00 66.02 62.78 1bnm s SER 188 CO 0.84 0.31 1.58 0.18 1.20 0.00 0.00 173.24 177.36 1bnm n LEU 189 N 1.87 4.61 -4.77 3.45 4.77 -1.26 -4.71 117.00 120.96 1bnm n LEU 189 Ca -0.14 -2.33 -0.40 0.00 -0.03 0.00 0.00 56.01 53.11 1bnm n LEU 189 Cb 0.52 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 1bnm n LEU 189 CO 0.38 0.74 1.11 -1.81 -1.33 0.00 0.00 177.39 176.48 1bnm s ASP 190 N -0.84 6.08 0.25 -1.43 1.01 -1.26 -4.73 116.67 115.74 1bnm s ASP 190 Ca 0.48 3.01 0.01 0.00 0.71 0.00 0.00 52.55 56.76 1bnm s ASP 190 Cb 0.32 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1bnm s ASP 190 CO 0.22 -1.05 0.31 0.00 0.21 0.00 0.00 175.17 174.86 1bnm n TYR 191 N 0.11 -1.00 -4.15 4.23 4.11 -1.26 -0.45 117.16 118.75 1bnm n TYR 191 Ca 0.03 -1.78 -0.16 0.00 -0.00 0.00 0.00 57.90 55.99 1bnm n TYR 191 Cb 0.40 0.34 -0.12 0.00 -0.00 0.00 0.00 39.34 39.97 1bnm n TYR 191 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bnm s TRP 192 N -3.35 1.04 -0.02 -3.48 0.51 -0.33 -2.25 118.94 111.05 1bnm s TRP 192 Ca 0.23 -0.52 -0.15 0.00 -2.12 0.00 0.00 56.10 53.54 1bnm s TRP 192 Cb -0.00 -0.59 0.02 0.00 -0.81 0.00 0.00 33.47 32.10 1bnm s TRP 192 CO 0.16 0.01 0.32 -0.08 -0.51 0.00 0.00 176.95 176.85 1bnm s THR 193 N -1.58 0.05 0.04 2.01 -1.32 -0.89 -0.97 115.64 112.98 1bnm s THR 193 Ca -0.02 -0.43 -0.28 0.00 -1.21 0.00 0.00 61.69 59.75 1bnm s THR 193 Cb -0.08 -0.61 0.09 0.00 -1.51 0.00 0.00 72.50 70.39 1bnm s THR 193 CO 0.01 -0.24 0.97 -0.72 -2.21 0.00 0.00 174.62 172.44 1bnm s TYR 194 N -1.22 -0.23 -0.08 9.09 -0.85 -1.04 -1.95 117.35 121.08 1bnm s TYR 194 Ca -0.13 0.04 -0.20 0.00 -0.52 0.00 0.00 57.07 56.26 1bnm s TYR 194 Cb -0.05 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1bnm s TYR 194 CO 0.04 -0.60 0.57 -2.14 -1.52 0.00 0.00 175.55 171.90 1bnm s PRO 195 N -3.07 4.36 0.00 -3.49 0.02 -1.26 -1.17 135.00 130.39 1bnm s PRO 195 Ca 0.09 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.75 1bnm s PRO 195 Cb -0.01 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1bnm s PRO 195 CO -0.04 0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.21 1bnm n GLY 196 N 3.04 4.61 2.33 0.52 0.00 0.31 -4.78 105.19 111.22 1bnm n GLY 196 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1bnm n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bnm n SER 197 N 0.00 -0.09 -4.77 1.61 3.41 -1.14 -2.71 113.62 109.93 1bnm n SER 197 Ca 0.00 -2.57 -0.32 0.00 -0.26 0.00 0.00 58.87 55.71 1bnm n SER 197 Cb 0.00 1.09 0.06 0.00 -0.26 0.00 0.00 64.21 65.10 1bnm n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1bnm s LEU 198 N 0.00 3.28 0.00 1.04 1.43 -0.52 -4.36 118.68 119.54 1bnm s LEU 198 Ca 0.25 1.92 0.23 0.00 -1.03 0.00 0.00 54.13 55.50 1bnm s LEU 198 Cb 0.01 -4.54 0.49 0.00 0.03 0.00 0.00 46.19 42.18 1bnm s LEU 198 CO 0.18 -1.73 1.44 0.35 0.23 0.00 0.00 176.35 176.82 1bnm n THR 199 N -2.76 0.57 -4.11 5.49 -2.24 -1.26 -4.47 114.28 105.49 1bnm n THR 199 Ca 0.10 -0.75 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 1bnm n THR 199 Cb 0.52 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 1bnm n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1bnm s THR 200 N -1.43 0.39 0.71 4.28 -4.23 -1.26 -4.60 115.64 109.50 1bnm s THR 200 Ca 0.40 -1.79 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1bnm s THR 200 Cb 0.23 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 1bnm s THR 200 CO 0.31 -0.91 0.75 -2.65 -0.54 0.00 0.00 174.62 171.58 1bnm n PRO 201 N 0.17 0.43 0.00 3.99 -0.02 -1.26 -0.91 135.00 137.39 1bnm n PRO 201 Ca -0.14 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1bnm n PRO 201 Cb 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1bnm n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bnm n PRO 202 N -1.23 0.78 -2.31 0.52 -0.04 -1.26 -4.96 135.00 126.50 1bnm n PRO 202 Ca 0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1bnm n PRO 202 Cb 0.49 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.91 1bnm n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bnm n LEU 203 N -0.45 -1.67 -4.72 1.53 4.77 -0.08 -4.88 117.00 111.49 1bnm n LEU 203 Ca 0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1bnm n LEU 203 Cb 0.02 -2.70 0.01 0.00 -2.33 0.00 0.00 43.42 38.41 1bnm n LEU 203 CO 0.00 -0.28 0.96 0.18 -1.33 0.00 0.00 177.39 176.91 1bnm n LEU 204 N -2.87 4.19 -4.29 2.23 4.77 -1.26 -4.41 117.00 115.37 1bnm n LEU 204 Ca -0.22 1.15 -0.45 0.00 -0.03 0.00 0.00 56.01 56.47 1bnm n LEU 204 Cb 0.66 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1bnm n LEU 204 CO 0.26 -0.41 0.83 -0.62 -1.33 0.00 0.00 177.39 176.12 1bnm n GLU 205 N 0.20 3.65 0.00 3.23 1.02 -1.26 -1.45 120.64 126.03 1bnm n GLU 205 Ca 0.05 -4.47 0.00 0.00 -0.02 0.00 0.00 57.16 52.72 1bnm n GLU 205 Cb 0.39 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.27 1bnm n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bnm s VAL 207 N -0.08 5.26 -0.32 0.00 1.01 -1.10 -0.74 120.40 124.42 1bnm s VAL 207 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 1bnm s VAL 207 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1bnm s VAL 207 CO 0.00 0.47 0.16 -0.89 0.00 0.00 0.00 175.10 174.84 1bnm s THR 208 N -0.15 4.55 -0.11 3.92 2.01 0.42 -0.53 115.64 125.75 1bnm s THR 208 Ca 0.18 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.44 1bnm s THR 208 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1bnm s THR 208 CO 0.07 -0.00 0.57 0.26 -0.69 0.00 0.00 174.62 174.82 1bnm s TRP 209 N 1.59 3.52 -0.24 4.92 0.52 -0.31 -2.14 118.94 126.80 1bnm s TRP 209 Ca 0.04 1.02 0.01 0.00 0.02 0.00 0.00 56.10 57.19 1bnm s TRP 209 Cb -0.18 -2.66 0.06 0.00 -1.15 0.00 0.00 33.47 29.54 1bnm s TRP 209 CO 0.06 0.10 -0.07 0.42 0.02 0.00 0.00 176.95 177.49 1bnm s ILE 210 N 0.82 1.67 -0.31 2.03 1.01 -0.58 -2.49 121.20 123.36 1bnm s ILE 210 Ca 0.30 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1bnm s ILE 210 Cb -0.16 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.47 1bnm s ILE 210 CO 0.13 -0.07 0.01 -0.69 0.00 0.00 0.00 174.94 174.33 1bnm s VAL 211 N 1.33 3.08 0.33 2.92 1.01 -0.14 -0.09 120.40 128.85 1bnm s VAL 211 Ca -0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 1bnm s VAL 211 Cb -0.19 -2.77 -0.11 0.00 0.00 0.00 0.00 36.38 33.31 1bnm s VAL 211 CO -0.06 -0.12 1.44 -0.76 0.00 0.00 0.00 175.10 175.59 1bnm s LEU 212 N 1.27 4.37 0.20 3.92 1.43 -0.90 -1.19 118.68 127.78 1bnm s LEU 212 Ca -0.05 2.87 -0.09 0.00 -1.03 0.00 0.00 54.13 55.83 1bnm s LEU 212 Cb -0.20 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.50 1bnm s LEU 212 CO -0.01 -0.75 1.77 0.50 0.23 0.00 0.00 176.35 178.10 1bnm h LYS 213 N 3.64 1.07 -5.72 1.70 3.64 -1.06 -3.43 116.57 116.40 1bnm h LYS 213 Ca -0.49 -0.18 -0.60 0.00 -1.27 0.00 0.00 60.65 58.11 1bnm h LYS 213 Cb 1.23 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.77 1bnm h LYS 213 CO 0.68 0.86 0.38 -2.00 -2.27 0.00 0.00 179.45 177.11 1bnm s GLU 214 N -5.62 4.10 0.61 1.90 2.12 -1.26 -5.02 118.70 115.53 1bnm s GLU 214 Ca -0.13 0.74 -0.08 0.00 0.36 0.00 0.00 54.97 55.86 1bnm s GLU 214 Cb 0.15 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1bnm s GLU 214 CO 0.82 -0.55 0.96 -1.25 -0.54 0.00 0.00 175.26 174.70 1bnm s PRO 215 N 2.81 3.12 0.19 4.30 0.04 -1.26 -4.65 135.00 139.55 1bnm s PRO 215 Ca 0.32 0.29 0.05 0.00 0.04 0.00 0.00 61.00 61.71 1bnm s PRO 215 Cb -0.15 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1bnm s PRO 215 CO 0.09 -0.69 0.18 0.96 0.04 0.00 0.00 177.00 177.58 1bnm s ILE 216 N -3.09 4.60 -0.11 0.56 -4.36 0.95 -4.87 121.20 114.88 1bnm s ILE 216 Ca 0.54 -1.11 -0.02 0.00 -0.26 0.00 0.00 60.65 59.80 1bnm s ILE 216 Cb -0.11 -3.39 -0.03 0.00 1.25 0.00 0.00 42.46 40.18 1bnm s ILE 216 CO 0.48 -0.17 -0.03 -0.94 0.24 0.00 0.00 174.94 174.52 1bnm s SER 217 N -3.33 4.93 0.14 4.36 1.04 -1.26 -0.20 113.70 119.38 1bnm s SER 217 Ca 0.32 -0.00 0.08 0.00 0.48 0.00 0.00 55.95 56.83 1bnm s SER 217 Cb -0.10 -1.52 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 1bnm s SER 217 CO 0.25 0.29 -0.19 0.68 0.98 0.00 0.00 173.24 175.25 1bnm s VAL 218 N -0.36 1.73 0.83 5.02 -7.23 0.34 -3.20 120.40 117.53 1bnm s VAL 218 Ca 0.06 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 1bnm s VAL 218 Cb -0.12 -1.69 0.09 0.00 0.56 0.00 0.00 36.38 35.21 1bnm s VAL 218 CO 0.02 -0.22 1.13 -0.94 -0.31 0.00 0.00 175.10 174.78 1bnm s SER 219 N -2.34 4.22 0.14 4.85 1.04 -1.21 0.65 113.70 121.05 1bnm s SER 219 Ca 0.11 1.07 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 1bnm s SER 219 Cb -0.07 -1.71 0.01 0.00 0.10 0.00 0.00 66.02 64.35 1bnm s SER 219 CO 0.05 -2.12 1.71 -1.28 0.98 0.00 0.00 173.24 172.59 1bnm h SER 220 N -1.19 0.57 0.39 7.02 0.87 -1.94 -2.64 113.55 116.62 1bnm h SER 220 Ca -0.48 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 59.86 1bnm h SER 220 Cb 1.30 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1bnm h SER 220 CO 0.62 0.55 -0.41 1.05 -0.53 0.00 0.00 176.83 178.11 1bnm h GLU 221 N 0.55 0.02 0.63 2.24 9.09 -1.95 0.24 114.58 125.41 1bnm h GLU 221 Ca 0.15 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.52 1bnm h GLU 221 Cb 0.13 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1bnm h GLU 221 CO -0.02 0.42 -0.30 1.96 0.05 0.00 0.00 179.01 181.12 1bnm h GLN 222 N 0.02 -0.82 0.00 1.06 4.20 -1.87 -2.69 115.11 115.01 1bnm h GLN 222 Ca -0.00 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1bnm h GLN 222 Cb 0.73 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1bnm h GLN 222 CO 0.05 -0.50 -0.21 -0.24 -0.67 0.00 0.00 178.83 177.27 1bnm h VAL 223 N -1.03 0.70 -0.71 -0.54 3.04 -1.45 -2.19 116.25 114.07 1bnm h VAL 223 Ca -0.09 -0.87 0.01 0.00 -1.01 0.00 0.00 66.70 64.75 1bnm h VAL 223 Cb 0.69 1.55 -0.04 0.00 -2.01 0.00 0.00 31.29 31.49 1bnm h VAL 223 CO 0.14 0.20 0.47 0.25 -1.01 0.00 0.00 177.57 177.62 1bnm h LEU 224 N 0.00 0.80 -1.28 3.16 5.85 -0.80 -1.53 115.31 121.50 1bnm h LEU 224 Ca -0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1bnm h LEU 224 Cb 0.53 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1bnm h LEU 224 CO 0.03 0.57 -0.01 0.11 -0.34 0.00 0.00 178.44 178.79 1bnm h LYS 225 N 0.93 0.47 -0.62 1.25 1.79 -1.05 -2.41 116.57 116.93 1bnm h LYS 225 Ca 0.27 -0.10 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 1bnm h LYS 225 Cb -0.06 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.47 1bnm h LYS 225 CO -0.06 0.51 0.34 0.74 -1.08 0.00 0.00 179.45 179.90 1bnm h PHE 226 N 0.45 0.63 0.00 -1.35 -1.00 -1.35 -1.85 116.94 112.47 1bnm h PHE 226 Ca 0.10 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.90 1bnm h PHE 226 Cb 0.32 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1bnm h PHE 226 CO 0.01 0.31 0.00 0.54 -1.61 0.00 0.00 178.31 177.56 1bnm n ARG 227 N -4.80 0.07 0.00 1.51 1.74 -0.91 -2.01 116.66 112.26 1bnm n ARG 227 Ca 0.07 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.55 1bnm n ARG 227 Cb 0.15 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.40 1bnm n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bnm n LYS 228 N -1.38 1.99 -1.26 5.56 5.02 -0.70 -4.43 118.16 122.96 1bnm n LYS 228 Ca 0.03 -1.43 -0.29 0.00 -2.02 0.00 0.00 58.31 54.59 1bnm n LYS 228 Cb 0.08 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.76 1bnm n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bnm s LEU 229 N -2.00 2.13 -0.06 -0.35 2.01 -0.85 -4.89 118.68 114.67 1bnm s LEU 229 Ca 0.33 1.36 0.05 0.00 0.01 0.00 0.00 54.13 55.88 1bnm s LEU 229 Cb 0.20 -3.75 -0.01 0.00 0.01 0.00 0.00 46.19 42.65 1bnm s LEU 229 CO 0.32 -2.66 -0.22 0.20 1.01 0.00 0.00 176.35 175.00 1bnm s ASN 230 N -3.53 2.72 0.09 2.29 0.02 0.16 -1.26 114.94 115.44 1bnm s ASN 230 Ca 0.64 -0.46 -0.15 0.00 -1.02 0.00 0.00 52.86 51.87 1bnm s ASN 230 Cb -0.17 -0.81 -0.11 0.00 0.02 0.00 0.00 41.25 40.17 1bnm s ASN 230 CO 0.56 0.20 1.36 -0.26 0.02 0.00 0.00 177.10 178.99 1bnm h PHE 231 N 6.21 0.86 -3.95 2.20 0.04 -0.55 -3.30 116.94 118.45 1bnm h PHE 231 Ca -0.31 -0.30 -0.46 0.00 2.80 0.00 0.00 57.97 59.70 1bnm h PHE 231 Cb 1.18 -0.16 0.15 0.00 2.20 0.00 0.00 35.95 39.32 1bnm h PHE 231 CO 0.44 1.07 0.22 0.54 -0.60 0.00 0.00 178.31 179.97 1bnm s ASN 232 N -6.67 2.93 0.36 2.17 4.22 -1.25 -4.33 114.94 112.38 1bnm s ASN 232 Ca -0.12 1.28 0.07 0.00 -2.14 0.00 0.00 52.86 51.95 1bnm s ASN 232 Cb 0.08 -1.95 -0.00 0.00 1.28 0.00 0.00 41.25 40.65 1bnm s ASN 232 CO 0.84 -2.95 0.50 -0.83 -2.04 0.00 0.00 177.10 172.62 1bnm s GLY 233 N -3.46 1.71 0.34 0.45 0.00 -1.26 -0.40 107.32 104.69 1bnm s GLY 233 Ca 0.65 -1.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 1bnm s GLY 233 CO 0.57 -1.41 1.17 -2.21 0.00 0.00 0.00 173.10 171.22 1bnm n GLU 234 N -1.71 1.78 -0.99 2.90 2.13 -1.26 -2.01 120.64 121.48 1bnm n GLU 234 Ca 0.02 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1bnm n GLU 234 Cb 0.58 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1bnm n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bnm n GLY 235 N 0.96 0.67 3.63 8.31 0.00 -1.26 -5.03 105.19 112.47 1bnm n GLY 235 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1bnm n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bnm s GLU 236 N -0.07 2.23 0.23 1.61 2.02 -0.85 -5.07 118.70 118.79 1bnm s GLU 236 Ca 0.00 -1.44 -0.31 0.00 0.02 0.00 0.00 54.97 53.23 1bnm s GLU 236 Cb 0.00 -2.13 -0.14 0.00 0.10 0.00 0.00 34.13 31.96 1bnm s GLU 236 CO 0.00 0.36 1.30 -2.30 0.02 0.00 0.00 175.26 174.64 1bnm n PRO 237 N -0.84 1.72 -1.88 0.39 -0.02 -1.26 -4.84 135.00 128.27 1bnm n PRO 237 Ca -0.06 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1bnm n PRO 237 Cb 0.59 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1bnm n PRO 237 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1bnm s GLU 238 N -0.56 4.18 -0.36 -0.52 2.02 -1.26 -4.75 118.70 117.45 1bnm s GLU 238 Ca 0.68 2.39 0.01 0.00 0.02 0.00 0.00 54.97 58.08 1bnm s GLU 238 Cb -0.71 -3.59 0.11 0.00 0.10 0.00 0.00 34.13 30.04 1bnm s GLU 238 CO 0.52 -0.76 0.13 -2.00 0.02 0.00 0.00 175.26 173.18 1bnm s GLU 239 N 2.64 1.10 0.19 1.61 2.56 -1.26 -5.03 118.70 120.52 1bnm s GLU 239 Ca 0.75 -1.58 -0.32 0.00 0.00 0.00 0.00 54.97 53.81 1bnm s GLU 239 Cb -0.41 -2.42 -0.15 0.00 2.00 0.00 0.00 34.13 33.15 1bnm s GLU 239 CO 0.33 -1.03 1.32 1.28 -0.56 0.00 0.00 175.26 176.60 1bnm n LEU 240 N 4.27 2.34 -4.47 2.70 4.77 -1.26 0.14 117.00 125.49 1bnm n LEU 240 Ca 0.03 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.71 1bnm n LEU 240 Cb 0.39 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1bnm n LEU 240 CO 0.18 -0.85 0.90 -0.32 -1.33 0.00 0.00 177.39 175.98 1bnm s MET 241 N -0.22 3.25 0.02 3.23 -2.45 -0.39 -4.60 119.30 118.14 1bnm s MET 241 Ca 0.72 -0.97 -0.11 0.00 -1.25 0.00 0.00 55.69 54.09 1bnm s MET 241 Cb -0.76 -4.45 0.01 0.00 1.25 0.00 0.00 34.83 30.89 1bnm s MET 241 CO 0.49 -1.88 0.22 0.14 1.05 0.00 0.00 175.02 175.05 1bnm s VAL 242 N 4.06 0.09 -1.29 10.11 -7.23 -1.26 -4.44 120.40 120.44 1bnm s VAL 242 Ca 0.28 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 1bnm s VAL 242 Cb -0.12 -0.72 0.01 0.00 0.56 0.00 0.00 36.38 36.11 1bnm s VAL 242 CO 0.05 -0.39 1.11 0.47 -0.31 0.00 0.00 175.10 176.03 1bnm n ASP 243 N 1.02 -4.58 -2.32 4.85 8.00 -0.39 -4.82 116.55 118.31 1bnm n ASP 243 Ca -0.21 -0.57 -0.25 0.00 0.71 0.00 0.00 54.79 54.47 1bnm n ASP 243 Cb 0.57 -5.07 -0.00 0.00 -0.02 0.00 0.00 41.12 36.60 1bnm n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1bnm n ASN 244 N -3.06 6.69 -4.31 -2.24 6.94 -1.09 -4.90 115.26 113.28 1bnm n ASN 244 Ca -0.12 -3.27 -0.26 0.00 -0.02 0.00 0.00 54.58 50.91 1bnm n ASN 244 Cb 0.61 -1.14 -0.13 0.00 -2.36 0.00 0.00 39.78 36.76 1bnm n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1bnm s TRP 245 N -2.16 1.98 0.06 -2.53 1.48 -1.26 -4.68 118.94 111.83 1bnm s TRP 245 Ca 0.50 -0.40 -0.08 0.00 -1.06 0.00 0.00 56.10 55.06 1bnm s TRP 245 Cb 0.36 -1.11 -0.05 0.00 -1.16 0.00 0.00 33.47 31.50 1bnm s TRP 245 CO -0.15 0.21 0.35 0.50 -4.06 0.00 0.00 176.95 173.80 1bnm s ARG 246 N -1.73 3.68 0.60 3.25 3.52 -1.26 -5.01 118.95 122.00 1bnm s ARG 246 Ca 0.09 0.05 -0.15 0.00 -0.13 0.00 0.00 55.73 55.59 1bnm s ARG 246 Cb -0.10 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1bnm s ARG 246 CO 0.04 0.58 1.06 -2.14 -0.81 0.00 0.00 175.30 174.03 1bnm s PRO 247 N -1.95 3.30 0.55 5.12 0.02 -1.26 -4.67 135.00 136.11 1bnm s PRO 247 Ca 0.32 1.19 -0.21 0.00 0.02 0.00 0.00 61.00 62.32 1bnm s PRO 247 Cb -0.13 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 1bnm s PRO 247 CO 0.18 -0.82 1.24 0.00 -0.33 0.00 0.00 177.00 177.27 1bnm n ALA 248 N -2.08 1.12 -2.66 -1.55 0.00 -1.26 -4.39 120.51 109.68 1bnm n ALA 248 Ca 0.09 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1bnm n ALA 248 Cb 0.53 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 1bnm n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bnm s GLN 249 N -2.78 2.37 0.25 0.00 -1.52 0.68 -4.95 119.66 113.71 1bnm s GLN 249 Ca 0.72 -1.28 -0.31 0.00 -1.95 0.00 0.00 55.36 52.54 1bnm s GLN 249 Cb -0.43 -2.26 -0.12 0.00 -0.22 0.00 0.00 33.01 29.98 1bnm s GLN 249 CO 0.49 0.40 1.64 -2.30 -0.25 0.00 0.00 175.29 175.27 1bnm n PRO 250 N -0.63 2.69 0.12 2.91 -0.02 -1.26 -4.52 135.00 134.31 1bnm n PRO 250 Ca -0.08 0.96 -0.01 0.00 -2.02 0.00 0.00 63.50 62.36 1bnm n PRO 250 Cb 0.57 -2.77 0.25 0.00 -0.02 0.00 0.00 33.50 31.54 1bnm n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1bnm h LEU 251 N 5.62 0.16 0.00 2.45 5.85 -1.94 -3.43 115.31 124.02 1bnm h LEU 251 Ca -0.45 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1bnm h LEU 251 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1bnm h LEU 251 CO 0.86 0.57 0.00 0.29 -0.34 0.00 0.00 178.44 179.82 1bnm n LYS 252 N -4.02 0.00 -1.29 1.25 5.02 -1.26 -2.92 118.16 114.94 1bnm n LYS 252 Ca -0.02 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.02 1bnm n LYS 252 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 1bnm n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1bnm n ASN 253 N 1.28 6.73 -4.16 4.39 5.15 -1.26 -4.84 115.26 122.55 1bnm n ASN 253 Ca 0.00 -2.72 -0.15 0.00 -0.60 0.00 0.00 54.58 51.11 1bnm n ASN 253 Cb 0.00 -1.41 -0.11 0.00 -0.53 0.00 0.00 39.78 37.73 1bnm n ASN 253 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bnm s ARG 254 N 0.53 0.79 0.02 1.20 0.52 -1.15 -5.14 118.95 115.73 1bnm s ARG 254 Ca 0.65 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1bnm s ARG 254 Cb 0.28 -0.53 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 1bnm s ARG 254 CO -0.07 0.09 -0.12 -1.14 0.02 0.00 0.00 175.30 174.08 1bnm s GLN 255 N -2.48 0.86 -0.22 3.54 0.74 -1.26 -5.00 119.66 115.83 1bnm s GLN 255 Ca 0.02 -0.60 -0.13 0.00 0.05 0.00 0.00 55.36 54.70 1bnm s GLN 255 Cb -0.05 -0.83 -0.04 0.00 1.10 0.00 0.00 33.01 33.19 1bnm s GLN 255 CO 0.00 0.21 0.27 0.42 -0.55 0.00 0.00 175.29 175.65 1bnm s ILE 256 N -0.66 5.28 -0.20 -2.34 1.01 -1.26 -4.71 121.20 118.33 1bnm s ILE 256 Ca 0.01 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 1bnm s ILE 256 Cb -0.07 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1bnm s ILE 256 CO 0.01 0.30 0.00 -0.54 0.00 0.00 0.00 174.94 174.70 1bnm s LYS 257 N 1.21 3.64 0.23 2.79 1.02 -0.82 -0.97 119.74 126.84 1bnm s LYS 257 Ca 0.13 -0.51 -0.11 0.00 0.02 0.00 0.00 55.97 55.50 1bnm s LYS 257 Cb -0.14 -3.08 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 1bnm s LYS 257 CO 0.06 0.04 0.57 0.00 -0.92 0.00 0.00 175.35 175.10 1bnm s ALA 258 N 0.92 3.54 -0.91 5.17 0.00 -0.02 -2.10 121.76 128.37 1bnm s ALA 258 Ca 0.01 -0.22 0.15 0.00 0.00 0.00 0.00 51.96 51.90 1bnm s ALA 258 Cb -0.14 -2.48 0.68 0.00 0.00 0.00 0.00 23.12 21.18 1bnm s ALA 258 CO 0.02 0.48 1.57 -1.13 0.00 0.00 0.00 175.76 176.71 1bnm n SER 259 N -0.06 4.65 -3.89 0.00 3.41 -0.95 -0.99 113.62 115.79 1bnm n SER 259 Ca 0.00 -2.54 -0.09 0.00 -0.26 0.00 0.00 58.87 55.98 1bnm n SER 259 Cb 0.52 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1bnm n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bnm s PHE 260 N -2.06 0.25 -0.97 7.33 -0.71 -1.26 -4.87 117.98 115.68 1bnm s PHE 260 Ca 0.47 -0.63 0.08 0.00 -1.04 0.00 0.00 56.93 55.81 1bnm s PHE 260 Cb 0.32 -0.01 0.06 0.00 -1.21 0.00 0.00 43.02 42.18 1bnm s PHE 260 CO 0.20 -0.67 0.74 1.17 -1.34 0.00 0.00 175.22 175.32