#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bax h LEU 2 N 0.00 0.57 -1.54 0.00 3.38 -1.41 0.22 115.31 116.53 2bax h LEU 2 Ca 0.00 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.24 2bax h LEU 2 Cb 0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2bax h LEU 2 CO 0.00 0.24 0.57 -0.25 0.09 0.00 0.00 178.44 179.08 2bax h TRP 3 N 0.65 0.52 0.15 1.13 7.01 -1.99 0.26 115.95 123.67 2bax h TRP 3 Ca 0.48 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 61.30 2bax h TRP 3 Cb 0.67 -0.16 0.02 0.00 -2.10 0.00 0.00 29.16 27.59 2bax h TRP 3 CO -0.08 0.16 -0.84 1.96 -2.79 0.00 0.00 178.44 176.85 2bax h GLN 4 N 0.41 0.31 -0.82 2.65 7.50 -1.38 -3.05 115.11 120.73 2bax h GLN 4 Ca 0.43 -0.53 -0.01 0.00 0.50 0.00 0.00 58.65 59.04 2bax h GLN 4 Cb 1.06 0.20 -0.04 0.00 0.05 0.00 0.00 27.48 28.74 2bax h GLN 4 CO -0.15 1.25 0.47 0.35 -1.50 0.00 0.00 178.83 179.25 2bax h PHE 5 N -0.35 1.09 -0.27 2.96 3.57 -0.39 0.06 116.94 123.61 2bax h PHE 5 Ca -0.15 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.40 2bax h PHE 5 Cb 1.67 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 40.00 2bax h PHE 5 CO 0.20 0.75 -0.08 -0.97 -2.23 0.00 0.00 178.31 175.97 2bax h ASN 6 N 1.13 -0.29 -0.66 0.41 -1.24 -0.64 -1.31 115.58 112.98 2bax h ASN 6 Ca 0.29 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.37 2bax h ASN 6 Cb -0.01 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 2bax h ASN 6 CO -0.05 -0.11 0.36 1.23 -1.29 0.00 0.00 177.43 177.58 2bax h GLY 7 N -0.02 1.00 1.00 1.57 0.00 -1.29 -1.85 103.07 103.47 2bax h GLY 7 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bax h GLY 7 CO -0.29 0.43 0.38 -0.33 0.00 0.00 0.00 176.54 176.72 2bax h MET 8 N 0.94 0.80 -0.54 4.80 2.86 -0.41 0.72 114.93 124.10 2bax h MET 8 Ca 0.24 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2bax h MET 8 Cb 0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2bax h MET 8 CO -0.04 0.55 0.05 0.82 1.06 0.00 0.00 176.91 179.35 2bax h ILE 9 N 0.80 1.26 -0.31 -1.22 2.04 -1.00 -2.18 117.51 116.90 2bax h ILE 9 Ca 0.22 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2bax h ILE 9 Cb -0.05 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2bax h ILE 9 CO -0.04 0.37 0.07 0.11 0.00 0.00 0.00 178.15 178.66 2bax h LYS 10 N 0.81 0.45 -0.62 2.37 1.57 -1.08 0.24 116.57 120.31 2bax h LYS 10 Ca 0.16 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.95 2bax h LYS 10 Cb 0.47 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 2bax h LYS 10 CO 0.02 0.43 0.27 0.00 -0.57 0.00 0.00 179.45 179.60 2bax h LYS 12 N 0.49 0.00 -2.43 0.00 1.79 -0.99 -3.41 116.57 112.02 2bax h LYS 12 Ca 0.30 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.18 2bax h LYS 12 Cb 0.32 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.57 2bax h LYS 12 CO -0.26 0.48 -0.87 -0.89 -1.08 0.00 0.00 179.45 176.83 2bax n ILE 13 N -3.09 -0.04 0.30 1.86 5.41 0.79 -4.94 119.36 119.65 2bax n ILE 13 Ca -0.04 -4.09 0.12 0.00 1.00 0.00 0.00 62.75 59.74 2bax n ILE 13 Cb 0.83 -1.89 0.54 0.00 -0.71 0.00 0.00 39.64 38.40 2bax n ILE 13 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2bax n PRO 14 N 2.10 0.18 0.01 0.38 -0.02 -0.99 -1.81 135.00 134.85 2bax n PRO 14 Ca 0.26 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 2bax n PRO 14 Cb 0.45 -1.92 0.48 0.00 -0.02 0.00 0.00 33.50 32.50 2bax n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2bax n SER 15 N -2.27 0.22 -4.89 2.55 3.41 -1.26 -4.95 113.62 106.43 2bax n SER 15 Ca 0.01 0.28 -0.31 0.00 -0.26 0.00 0.00 58.87 58.58 2bax n SER 15 Cb 0.15 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2bax n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2bax s SER 16 N -3.15 6.55 -0.71 4.04 1.04 -0.75 -5.04 113.70 115.68 2bax s SER 16 Ca 0.13 0.81 -0.11 0.00 0.48 0.00 0.00 55.95 57.26 2bax s SER 16 Cb 0.18 -2.18 0.18 0.00 0.10 0.00 0.00 66.02 64.30 2bax s SER 16 CO 0.59 -0.09 0.61 -1.61 0.98 0.00 0.00 173.24 173.72 2bax s GLU 17 N -2.99 3.16 0.43 4.02 0.41 -1.26 -4.82 118.70 117.64 2bax s GLU 17 Ca 0.45 -2.34 0.10 0.00 -0.41 0.00 0.00 54.97 52.77 2bax s GLU 17 Cb -0.11 -4.18 0.94 0.00 -1.78 0.00 0.00 34.13 29.00 2bax s GLU 17 CO 0.24 -1.25 2.06 -1.35 -0.49 0.00 0.00 175.26 174.46 2bax h PRO 18 N 7.76 0.36 0.00 0.39 0.11 -1.94 0.45 132.00 139.14 2bax h PRO 18 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2bax h PRO 18 Cb 1.03 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2bax h PRO 18 CO 0.78 0.28 0.00 1.28 -0.21 0.00 0.00 178.00 180.13 2bax n LEU 19 N -4.46 0.20 -0.13 2.35 4.77 -1.26 -1.25 117.00 117.22 2bax n LEU 19 Ca 0.01 0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 56.27 2bax n LEU 19 Cb 0.10 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 2bax n LEU 19 CO 0.35 -0.36 -1.34 0.18 -1.33 0.00 0.00 177.39 174.89 2bax n LEU 20 N -1.73 1.90 0.08 2.23 4.32 -0.26 -4.32 117.00 119.23 2bax n LEU 20 Ca 0.03 0.33 -0.04 0.00 -0.02 0.00 0.00 56.01 56.30 2bax n LEU 20 Cb 0.18 -0.79 0.14 0.00 -1.62 0.00 0.00 43.42 41.34 2bax n LEU 20 CO 0.15 0.46 0.52 0.44 -1.22 0.00 0.00 177.39 177.74 2bax h ASP 21 N -0.97 0.28 -0.06 -1.43 3.32 -0.93 -3.22 116.42 113.41 2bax h ASP 21 Ca -0.61 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.30 2bax h ASP 21 Cb 1.53 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2bax h ASP 21 CO -0.37 0.77 0.00 0.49 -1.72 0.00 0.00 179.24 178.41 2bax n PHE 22 N -3.91 0.05 -3.45 4.55 3.72 -0.38 -4.88 117.46 113.15 2bax n PHE 22 Ca -0.02 -0.04 -0.35 0.00 -0.05 0.00 0.00 57.45 56.98 2bax n PHE 22 Cb 0.58 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 2bax n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bax s ASN 23 N -1.18 6.74 -1.01 4.37 2.47 -1.22 -4.29 114.94 120.81 2bax s ASN 23 Ca 0.18 0.95 -0.14 0.00 0.42 0.00 0.00 52.86 54.27 2bax s ASN 23 Cb 0.12 -2.24 -0.01 0.00 -1.45 0.00 0.00 41.25 37.68 2bax s ASN 23 CO 0.18 0.13 0.75 -3.20 -3.72 0.00 0.00 177.10 171.24 2bax n ASN 24 N 0.83 -5.70 -4.03 -4.21 5.15 -0.29 -4.82 115.26 102.20 2bax n ASN 24 Ca -0.06 -0.85 -0.23 0.00 -0.60 0.00 0.00 54.58 52.84 2bax n ASN 24 Cb 0.52 -3.44 -0.16 0.00 -0.53 0.00 0.00 39.78 36.17 2bax n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 2bax s TYR 25 N -3.30 1.28 0.00 1.20 6.14 -0.82 -0.25 117.35 121.60 2bax s TYR 25 Ca 0.32 -0.40 0.00 0.00 0.64 0.00 0.00 57.07 57.63 2bax s TYR 25 Cb -0.11 -0.92 0.00 0.00 0.42 0.00 0.00 41.96 41.35 2bax s TYR 25 CO 0.85 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 177.26 2bax n GLY 26 N 3.53 0.75 0.08 8.97 0.00 0.24 -1.62 105.19 117.14 2bax n GLY 26 Ca -0.21 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.13 2bax n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bax n TYR 28 N -2.30 0.00 -2.80 0.00 4.01 -1.25 -3.68 117.16 111.15 2bax n TYR 28 Ca 0.02 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 2bax n TYR 28 Cb 0.48 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.47 2bax n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bax n GLY 30 N 4.97 0.33 3.65 0.00 0.00 -1.26 -1.14 105.19 111.74 2bax n GLY 30 Ca 0.06 -2.26 -0.51 0.00 0.00 0.00 0.00 46.02 43.31 2bax n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2bax n LEU 31 N 0.00 2.39 0.00 0.99 7.94 -1.26 -4.68 117.00 122.38 2bax n LEU 31 Ca 0.00 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2bax n LEU 31 Cb 0.00 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 42.69 2bax n LEU 31 CO 0.00 -0.60 0.00 0.61 -1.11 0.00 0.00 177.39 176.29 2bax n GLY 32 N 3.37 -0.12 0.00 -3.96 0.00 -1.26 -4.98 105.19 98.24 2bax n GLY 32 Ca 0.21 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2bax n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bax n GLY 33 N 0.00 3.70 2.90 -0.02 0.00 -1.26 -4.68 105.19 105.83 2bax n GLY 33 Ca 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2bax n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bax n SER 34 N 0.00 -1.42 -0.09 1.61 3.41 -1.24 -4.98 113.62 110.90 2bax n SER 34 Ca 0.00 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.14 2bax n SER 34 Cb 0.00 2.51 0.00 0.00 -0.26 0.00 0.00 64.21 66.46 2bax n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bax n GLY 35 N -0.46 -1.44 3.71 5.00 0.00 -1.18 -4.77 105.19 106.05 2bax n GLY 35 Ca -0.02 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 2bax n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bax s THR 36 N 0.00 5.26 0.28 2.61 2.01 -1.26 -5.03 115.64 119.51 2bax s THR 36 Ca 0.00 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 2bax s THR 36 Cb 0.00 -3.69 -0.14 0.00 0.01 0.00 0.00 72.50 68.68 2bax s THR 36 CO 0.00 0.34 1.15 -2.65 -0.69 0.00 0.00 174.62 172.78 2bax n PRO 37 N 3.82 1.63 0.14 4.92 -0.02 -1.26 -4.84 135.00 139.39 2bax n PRO 37 Ca -0.10 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 61.99 2bax n PRO 37 Cb 0.52 -2.05 0.04 0.00 -0.02 0.00 0.00 33.50 31.99 2bax n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2bax h VAL 38 N 2.35 0.66 -2.75 -1.45 -1.51 -1.96 -3.47 116.25 108.12 2bax h VAL 38 Ca -0.42 -1.95 -0.01 0.00 -1.23 0.00 0.00 66.70 63.09 2bax h VAL 38 Cb 1.32 2.29 0.00 0.00 -2.13 0.00 0.00 31.29 32.77 2bax h VAL 38 CO 0.64 0.37 0.25 -0.90 -1.23 0.00 0.00 177.57 176.70 2bax n ASP 39 N -3.16 -1.80 0.04 4.19 5.68 -1.26 -5.02 116.55 115.22 2bax n ASP 39 Ca 0.01 -2.22 -0.02 0.00 -0.50 0.00 0.00 54.79 52.06 2bax n ASP 39 Cb 0.70 2.99 0.24 0.00 -1.14 0.00 0.00 41.12 43.91 2bax n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bax h ASP 40 N 1.58 0.40 -0.33 -1.12 3.32 -1.92 -1.12 116.42 117.23 2bax h ASP 40 Ca -0.26 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 2bax h ASP 40 Cb 0.99 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 2bax h ASP 40 CO 0.34 0.65 0.17 0.25 -1.72 0.00 0.00 179.24 178.92 2bax h LEU 41 N 0.36 0.43 -1.17 1.55 5.85 -1.93 -0.41 115.31 119.98 2bax h LEU 41 Ca 0.05 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.68 2bax h LEU 41 Cb 0.63 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2bax h LEU 41 CO 0.05 0.42 0.56 -0.78 -0.34 0.00 0.00 178.44 178.35 2bax h ASP 42 N 0.41 0.95 -0.44 1.25 3.58 -1.83 -1.53 116.42 118.81 2bax h ASP 42 Ca 0.12 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 2bax h ASP 42 Cb 0.10 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2bax h ASP 42 CO -0.02 0.68 0.07 -0.09 -2.88 0.00 0.00 179.24 177.00 2bax h ARG 43 N 1.12 0.81 -0.69 0.28 2.43 -0.71 -0.17 114.38 117.45 2bax h ARG 43 Ca 0.32 -0.19 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2bax h ARG 43 Cb -0.08 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.29 2bax h ARG 43 CO -0.08 0.77 0.34 0.00 -1.51 0.00 0.00 179.97 179.49 2bax h GLN 46 N 0.53 0.47 -0.53 0.00 4.15 -0.58 0.09 115.11 119.25 2bax h GLN 46 Ca 0.07 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.47 2bax h GLN 46 Cb 0.78 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.34 2bax h GLN 46 CO 0.06 0.39 0.30 1.15 -1.93 0.00 0.00 178.83 178.80 2bax h THR 47 N 0.42 1.01 -0.59 2.39 2.02 -0.99 -0.30 112.91 116.87 2bax h THR 47 Ca 0.12 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 2bax h THR 47 Cb 0.06 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2bax h THR 47 CO -0.02 0.11 0.27 -0.74 0.37 0.00 0.00 175.52 175.51 2bax h HIS 48 N 0.58 0.87 -0.60 3.16 -0.00 -1.02 0.11 115.15 118.25 2bax h HIS 48 Ca 0.22 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 2bax h HIS 48 Cb 0.08 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.18 2bax h HIS 48 CO -0.08 0.67 0.35 -0.44 -0.00 0.00 0.00 177.93 178.43 2bax h ASP 49 N 0.81 0.54 -0.58 3.26 5.19 -0.55 -0.71 116.42 124.39 2bax h ASP 49 Ca 0.20 0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2bax h ASP 49 Cb 0.14 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 2bax h ASP 49 CO -0.02 0.37 0.14 -1.13 -3.12 0.00 0.00 179.24 175.47 2bax h ASN 50 N 0.67 0.91 -0.61 6.45 -0.73 -0.47 -1.24 115.58 120.56 2bax h ASN 50 Ca 0.25 -0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 2bax h ASN 50 Cb 0.09 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.41 2bax h ASN 50 CO -0.13 0.89 0.35 0.00 -0.37 0.00 0.00 177.43 178.17 2bax h TYR 52 N 0.83 0.79 -0.52 0.00 -1.99 -0.90 -0.63 116.97 114.55 2bax h TYR 52 Ca 0.22 -0.11 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 2bax h TYR 52 Cb 0.01 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.50 2bax h TYR 52 CO -0.01 0.74 0.07 1.98 -0.00 0.00 0.00 178.16 180.94 2bax h MET 53 N 0.70 0.84 -0.67 4.88 4.05 -0.85 -0.06 114.93 123.81 2bax h MET 53 Ca 0.14 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 2bax h MET 53 Cb 0.44 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2bax h MET 53 CO 0.02 0.79 0.25 1.96 0.23 0.00 0.00 176.91 180.16 2bax h GLN 54 N 0.79 1.02 -0.80 0.39 1.08 -0.63 -3.10 115.11 113.87 2bax h GLN 54 Ca 0.16 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2bax h GLN 54 Cb 0.37 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 2bax h GLN 54 CO 0.01 0.87 0.45 0.00 -0.95 0.00 0.00 178.83 179.21 2bax h ALA 55 N 1.11 1.02 0.00 3.87 0.00 -0.10 -2.30 119.26 122.85 2bax h ALA 55 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2bax h ALA 55 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2bax h ALA 55 CO -0.01 0.51 0.00 -1.33 0.00 0.00 0.00 179.25 178.42 2bax n MET 56 N -4.44 0.00 0.10 0.00 2.81 -0.14 -1.38 117.12 114.08 2bax n MET 56 Ca 0.08 0.33 0.12 0.00 -1.81 0.00 0.00 57.70 56.42 2bax n MET 56 Cb 0.08 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.31 2bax n MET 56 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2bax h LYS 57 N 0.00 0.00 -6.52 0.03 1.57 -1.43 -3.44 116.57 106.79 2bax h LYS 57 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2bax h LYS 57 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2bax h LYS 57 CO 0.00 0.00 0.62 -0.51 -0.57 0.00 0.00 179.45 178.99 2bax s LEU 58 N -4.72 4.37 0.55 2.94 1.02 -0.48 -4.91 118.68 117.45 2bax s LEU 58 Ca 0.07 2.14 0.22 0.00 0.02 0.00 0.00 54.13 56.58 2bax s LEU 58 Cb 0.11 -3.58 1.48 0.00 0.02 0.00 0.00 46.19 44.22 2bax s LEU 58 CO 0.69 -0.53 2.15 0.44 0.02 0.00 0.00 176.35 179.11 2bax h ASP 59 N 6.72 0.00 -0.71 2.29 5.19 -1.88 -0.04 116.42 127.98 2bax h ASP 59 Ca -0.42 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.07 2bax h ASP 59 Cb 1.21 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.66 2bax h ASP 59 CO 0.83 0.00 0.39 0.28 -3.12 0.00 0.00 179.24 177.62 2bax h SER 60 N 0.00 0.56 0.82 6.45 0.02 -1.93 -2.40 113.55 117.08 2bax h SER 60 Ca 0.04 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 2bax h SER 60 Cb 0.18 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2bax h SER 60 CO -0.00 0.34 -0.88 0.00 -1.14 0.00 0.00 176.83 175.15 2bax n LYS 62 N -3.53 4.93 0.05 0.00 4.01 -0.57 -3.01 118.16 120.05 2bax n LYS 62 Ca -0.01 -4.00 0.00 0.00 -0.51 0.00 0.00 58.31 53.78 2bax n LYS 62 Cb 0.83 -2.54 0.00 0.00 -0.51 0.00 0.00 35.03 32.81 2bax n LYS 62 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2bax n VAL 63 N 0.84 0.00 -1.61 -0.18 0.31 -0.93 -4.75 118.33 112.00 2bax n VAL 63 Ca 0.55 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.47 2bax n VAL 63 Cb 0.26 -0.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 2bax n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2bax s LEU 64 N -5.52 3.43 0.59 7.52 1.43 -1.16 -4.80 118.68 120.16 2bax s LEU 64 Ca 0.00 1.62 0.29 0.00 -1.03 0.00 0.00 54.13 55.00 2bax s LEU 64 Cb 0.00 -3.21 1.47 0.00 0.03 0.00 0.00 46.19 44.48 2bax s LEU 64 CO 0.00 -2.24 1.88 -0.37 0.23 0.00 0.00 176.35 175.85 2bax h VAL 65 N 7.31 0.35 -3.99 -1.59 -1.51 -1.95 -3.42 116.25 111.45 2bax h VAL 65 Ca -0.36 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.56 2bax h VAL 65 Cb 1.24 0.60 0.17 0.00 -2.13 0.00 0.00 31.29 31.17 2bax h VAL 65 CO 1.02 0.00 0.35 0.47 -1.23 0.00 0.00 177.57 178.18 2bax n ASP 66 N -3.70 1.39 -4.72 4.19 8.00 -1.26 -5.07 116.55 115.37 2bax n ASP 66 Ca 0.09 0.74 -0.23 0.00 0.71 0.00 0.00 54.79 56.10 2bax n ASP 66 Cb 0.69 -1.50 0.10 0.00 -0.02 0.00 0.00 41.12 40.40 2bax n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bax s ASN 67 N -1.56 4.47 0.63 -2.24 4.22 -1.26 -4.83 114.94 114.36 2bax s ASN 67 Ca 0.78 -0.28 0.39 0.00 -2.14 0.00 0.00 52.86 51.62 2bax s ASN 67 Cb -0.36 -0.17 2.13 0.00 1.28 0.00 0.00 41.25 44.13 2bax s ASN 67 CO 0.45 -1.77 2.29 -0.65 -2.04 0.00 0.00 177.10 175.38 2bax h PRO 68 N -0.47 0.00 0.00 3.55 0.11 -1.94 -1.01 132.00 132.24 2bax h PRO 68 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2bax h PRO 68 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2bax h PRO 68 CO 0.43 0.01 0.00 1.88 -0.21 0.00 0.00 178.00 180.11 2bax h TYR 69 N 0.00 0.00 -0.00 0.65 0.99 -1.93 -3.24 116.97 113.43 2bax h TYR 69 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2bax h TYR 69 Cb 0.08 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.81 2bax h TYR 69 CO 0.00 0.00 -0.03 0.25 -0.00 0.00 0.00 178.16 178.38 2bax n THR 70 N -2.63 0.00 -2.71 -2.88 -2.24 -0.76 -1.25 114.28 101.82 2bax n THR 70 Ca 0.04 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 2bax n THR 70 Cb 0.43 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 2bax n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2bax s ASN 71 N -0.46 6.61 -0.04 3.42 3.84 -0.46 -4.76 114.94 123.09 2bax s ASN 71 Ca 0.03 0.39 -0.30 0.00 0.21 0.00 0.00 52.86 53.19 2bax s ASN 71 Cb 0.02 -2.50 -0.03 0.00 -0.55 0.00 0.00 41.25 38.20 2bax s ASN 71 CO 0.05 -1.10 1.03 0.20 -2.79 0.00 0.00 177.10 174.48 2bax s ASN 72 N 2.26 7.27 0.44 -4.21 0.01 -1.26 0.08 114.94 119.54 2bax s ASN 72 Ca 0.42 1.65 0.03 0.00 -0.71 0.00 0.00 52.86 54.26 2bax s ASN 72 Cb -0.09 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2bax s ASN 72 CO 0.27 -0.38 0.04 -0.72 -1.51 0.00 0.00 177.10 174.81 2bax s TYR 73 N 1.51 1.98 -0.10 2.20 -0.85 -1.26 -4.89 117.35 115.93 2bax s TYR 73 Ca 0.51 -0.99 0.01 0.00 -0.52 0.00 0.00 57.07 56.09 2bax s TYR 73 Cb -0.21 -1.48 -0.02 0.00 0.38 0.00 0.00 41.96 40.63 2bax s TYR 73 CO 0.24 0.11 -0.13 -1.12 -1.52 0.00 0.00 175.55 173.12 2bax s SER 74 N -3.73 4.04 0.21 -0.18 0.01 -1.26 -4.91 113.70 107.88 2bax s SER 74 Ca 0.20 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 2bax s SER 74 Cb 0.04 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.98 2bax s SER 74 CO 0.10 0.24 0.50 -0.72 0.41 0.00 0.00 173.24 173.78 2bax s TYR 75 N -0.09 0.06 0.15 2.43 1.13 -1.26 -2.33 117.35 117.43 2bax s TYR 75 Ca -0.02 -0.42 0.09 0.00 -1.41 0.00 0.00 57.07 55.31 2bax s TYR 75 Cb -0.14 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 2bax s TYR 75 CO 0.04 -0.95 -0.20 -1.54 -2.51 0.00 0.00 175.55 170.39 2bax s SER 76 N -2.93 2.73 -0.17 -0.18 1.04 -0.18 -4.98 113.70 109.04 2bax s SER 76 Ca 0.14 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 2bax s SER 76 Cb -0.01 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2bax s SER 76 CO 0.02 0.02 -0.02 0.00 0.98 0.00 0.00 173.24 174.24 2bax s SER 78 N 0.61 -0.42 -1.49 0.00 1.04 -0.36 -4.86 113.70 108.22 2bax s SER 78 Ca -0.01 0.96 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 2bax s SER 78 Cb -0.14 1.03 0.08 0.00 0.10 0.00 0.00 66.02 67.09 2bax s SER 78 CO 0.02 -0.21 0.84 -3.20 0.98 0.00 0.00 173.24 171.67 2bax n ASN 79 N 4.73 -4.74 -2.02 7.02 4.05 -1.26 -1.16 115.26 121.89 2bax n ASN 79 Ca -0.17 -0.64 -0.20 0.00 0.45 0.00 0.00 54.58 54.01 2bax n ASN 79 Cb 0.53 -3.81 -0.04 0.00 1.23 0.00 0.00 39.78 37.68 2bax n ASN 79 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2bax n ASN 80 N -2.68 -5.68 -4.37 1.20 4.13 -1.26 -4.99 115.26 101.62 2bax n ASN 80 Ca 0.02 0.20 -0.32 0.00 1.68 0.00 0.00 54.58 56.15 2bax n ASN 80 Cb 0.54 -4.81 -0.15 0.00 -1.54 0.00 0.00 39.78 33.82 2bax n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2bax s GLU 81 N -4.49 2.53 -0.16 3.52 2.02 -0.30 -4.52 118.70 117.29 2bax s GLU 81 Ca 0.00 -0.81 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 2bax s GLU 81 Cb 0.00 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2bax s GLU 81 CO 0.00 0.49 0.25 0.42 0.02 0.00 0.00 175.26 176.45 2bax s ILE 82 N -0.42 5.33 -0.12 -1.63 1.01 -1.26 -1.22 121.20 122.89 2bax s ILE 82 Ca 0.04 0.47 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 2bax s ILE 82 Cb -0.12 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2bax s ILE 82 CO 0.02 0.43 -0.08 -0.89 0.00 0.00 0.00 174.94 174.41 2bax s THR 83 N 0.25 1.11 0.40 2.92 2.01 -0.29 -4.99 115.64 117.04 2bax s THR 83 Ca 0.15 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 2bax s THR 83 Cb -0.13 -1.11 -0.09 0.00 0.01 0.00 0.00 72.50 71.18 2bax s THR 83 CO 0.03 0.38 1.02 0.00 -0.69 0.00 0.00 174.62 175.36 2bax s SER 85 N -1.69 6.74 0.34 0.00 0.15 -0.98 -4.96 113.70 113.29 2bax s SER 85 Ca 0.58 0.95 0.25 0.00 0.70 0.00 0.00 55.95 58.44 2bax s SER 85 Cb -0.19 -2.24 1.18 0.00 -1.71 0.00 0.00 66.02 63.05 2bax s SER 85 CO 0.24 0.13 1.77 0.77 1.20 0.00 0.00 173.24 177.35 2bax h SER 86 N 3.59 0.00 0.80 5.45 4.64 -1.96 -1.95 113.55 124.11 2bax h SER 86 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bax h SER 86 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2bax h SER 86 CO 0.66 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.00 2bax n GLU 87 N -2.40 0.10 -2.36 4.77 -0.58 -1.26 -4.79 120.64 114.13 2bax n GLU 87 Ca 0.01 0.04 -0.41 0.00 -0.42 0.00 0.00 57.16 56.38 2bax n GLU 87 Cb 0.17 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 2bax n GLU 87 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2bax s ASN 88 N -2.88 7.07 1.03 1.62 0.01 -0.74 -5.03 114.94 116.02 2bax s ASN 88 Ca 0.16 2.26 -0.16 0.00 -0.71 0.00 0.00 52.86 54.41 2bax s ASN 88 Cb 0.17 -2.61 0.21 0.00 0.41 0.00 0.00 41.25 39.44 2bax s ASN 88 CO 0.46 -0.38 1.22 0.20 -1.51 0.00 0.00 177.10 177.09 2bax s ASN 89 N 0.09 2.51 0.16 -1.22 0.01 -1.26 -4.61 114.94 110.62 2bax s ASN 89 Ca 0.53 0.53 -0.16 0.00 -0.71 0.00 0.00 52.86 53.05 2bax s ASN 89 Cb -0.33 -0.74 0.02 0.00 0.41 0.00 0.00 41.25 40.61 2bax s ASN 89 CO 0.37 -3.13 1.80 0.00 -1.51 0.00 0.00 177.10 174.64 2bax h ALA 90 N -1.90 0.55 -0.21 0.60 0.00 -1.97 0.12 119.26 116.45 2bax h ALA 90 Ca -0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2bax h ALA 90 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2bax h ALA 90 CO 0.42 0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.71 2bax h GLU 92 N 0.15 0.66 -0.52 0.00 5.08 -1.83 -1.16 114.58 116.96 2bax h GLU 92 Ca 0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 2bax h GLU 92 Cb 0.35 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2bax h GLU 92 CO 0.01 0.44 0.06 0.00 -1.00 0.00 0.00 179.01 178.52 2bax h ALA 93 N 1.38 0.69 -0.17 3.43 0.00 -0.60 0.26 119.26 124.26 2bax h ALA 93 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2bax h ALA 93 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bax h ALA 93 CO -0.21 0.45 0.05 0.35 0.00 0.00 0.00 179.25 179.89 2bax h PHE 94 N 0.75 0.27 -0.65 0.00 3.04 -0.62 -1.29 116.94 118.44 2bax h PHE 94 Ca 0.16 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 2bax h PHE 94 Cb 0.43 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 2bax h PHE 94 CO 0.03 0.37 0.29 0.82 -2.02 0.00 0.00 178.31 177.80 2bax h ILE 95 N 0.09 1.23 -0.82 1.41 2.04 -1.16 -1.10 117.51 119.20 2bax h ILE 95 Ca 0.05 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.29 2bax h ILE 95 Cb 0.23 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2bax h ILE 95 CO -0.00 0.27 0.50 0.00 0.00 0.00 0.00 178.15 178.92 2bax h ASN 97 N 0.92 0.90 -0.49 0.00 -1.24 -0.77 0.52 115.58 115.42 2bax h ASN 97 Ca 0.35 -0.27 0.07 0.00 0.71 0.00 0.00 56.30 57.16 2bax h ASN 97 Cb 0.15 -0.24 -0.06 0.00 0.73 0.00 0.00 38.32 38.90 2bax h ASN 97 CO -0.16 0.94 0.17 0.00 -1.29 0.00 0.00 177.43 177.09 2bax h ASP 99 N 0.34 0.63 -0.28 0.00 5.19 -0.87 -1.83 116.42 119.60 2bax h ASP 99 Ca 0.24 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2bax h ASP 99 Cb 0.26 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 2bax h ASP 99 CO -0.25 0.88 0.18 -0.09 -3.12 0.00 0.00 179.24 176.84 2bax h ARG 100 N 0.38 0.36 -0.64 3.56 2.43 -0.74 -0.27 114.38 119.47 2bax h ARG 100 Ca 0.07 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2bax h ARG 100 Cb 0.62 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 2bax h ARG 100 CO 0.04 0.24 0.36 -0.91 -1.51 0.00 0.00 179.97 178.18 2bax h ASN 101 N 0.37 0.55 -0.35 -3.80 2.35 -1.09 -1.46 115.58 112.14 2bax h ASN 101 Ca 0.10 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2bax h ASN 101 Cb -0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2bax h ASN 101 CO -0.03 0.37 -0.20 0.00 -1.65 0.00 0.00 177.43 175.92 2bax h ALA 102 N 1.32 0.50 -0.60 -0.83 0.00 -1.01 -0.43 119.26 118.20 2bax h ALA 102 Ca 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2bax h ALA 102 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2bax h ALA 102 CO -0.16 0.45 0.37 0.00 0.00 0.00 0.00 179.25 179.91 2bax h ALA 103 N 0.78 0.78 -0.22 0.00 0.00 -0.79 0.17 119.26 119.98 2bax h ALA 103 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bax h ALA 103 Cb 0.75 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2bax h ALA 103 CO 0.06 0.10 0.09 0.82 0.00 0.00 0.00 179.25 180.32 2bax h ILE 104 N 0.72 1.16 -0.47 0.00 2.04 -1.20 -2.49 117.51 117.27 2bax h ILE 104 Ca 0.24 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.71 2bax h ILE 104 Cb 0.03 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 2bax h ILE 104 CO -0.10 0.16 0.06 0.00 0.00 0.00 0.00 178.15 178.27 2bax h PHE 106 N 0.19 1.15 0.00 0.00 -1.00 -0.52 -1.70 116.94 115.06 2bax h PHE 106 Ca 0.23 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.04 2bax h PHE 106 Cb 0.32 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2bax h PHE 106 CO -0.24 0.55 0.00 -1.13 -1.61 0.00 0.00 178.31 175.88 2bax n SER 107 N -4.53 0.40 -0.50 2.17 3.41 -0.72 -3.48 113.62 110.37 2bax n SER 107 Ca 0.16 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.41 2bax n SER 107 Cb 0.24 -0.68 0.10 0.00 -0.26 0.00 0.00 64.21 63.62 2bax n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bax n LYS 108 N -1.93 1.86 -4.39 4.33 5.02 -0.65 -5.02 118.16 117.39 2bax n LYS 108 Ca 0.03 -1.63 -0.22 0.00 -2.02 0.00 0.00 58.31 54.48 2bax n LYS 108 Cb 0.24 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 2bax n LYS 108 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2bax s VAL 109 N -0.93 2.06 0.69 -0.18 -7.23 -1.19 -5.09 120.40 108.52 2bax s VAL 109 Ca 0.17 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 2bax s VAL 109 Cb 0.10 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.96 2bax s VAL 109 CO 0.14 -0.42 1.19 -2.84 -0.31 0.00 0.00 175.10 172.86 2bax s PRO 110 N -3.31 2.43 -0.31 4.82 0.02 -1.26 -4.95 135.00 132.43 2bax s PRO 110 Ca 0.23 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 2bax s PRO 110 Cb -0.04 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.64 2bax s PRO 110 CO 0.10 -1.60 0.07 -0.47 -0.33 0.00 0.00 177.00 174.77 2bax s TYR 111 N -1.95 3.20 -0.36 6.54 6.14 -1.26 -4.44 117.35 125.22 2bax s TYR 111 Ca 0.74 -1.35 -0.10 0.00 0.64 0.00 0.00 57.07 57.00 2bax s TYR 111 Cb -0.28 -2.23 0.02 0.00 0.42 0.00 0.00 41.96 39.89 2bax s TYR 111 CO 0.42 -0.69 0.18 -0.80 0.64 0.00 0.00 175.55 175.30 2bax s ASN 112 N 1.41 5.64 0.47 4.32 0.01 -1.26 -4.96 114.94 120.56 2bax s ASN 112 Ca -0.01 -0.95 0.17 0.00 -0.71 0.00 0.00 52.86 51.37 2bax s ASN 112 Cb -0.19 -2.00 1.15 0.00 0.41 0.00 0.00 41.25 40.63 2bax s ASN 112 CO 0.02 -0.35 1.99 0.11 -1.51 0.00 0.00 177.10 177.36 2bax h LYS 113 N 8.39 0.25 -0.47 -0.60 1.57 -1.99 0.79 116.57 124.51 2bax h LYS 113 Ca -0.26 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2bax h LYS 113 Cb 1.11 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2bax h LYS 113 CO 0.65 0.17 0.32 0.93 -0.57 0.00 0.00 179.45 180.95 2bax h GLU 114 N 0.26 0.48 -0.04 3.15 3.07 -2.05 -2.37 114.58 117.07 2bax h GLU 114 Ca 0.26 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2bax h GLU 114 Cb 0.66 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2bax h GLU 114 CO -0.05 0.32 0.00 0.72 -1.40 0.00 0.00 179.01 178.59 2bax n HIS 115 N -4.48 0.05 -3.26 4.33 8.25 0.27 -4.81 115.22 115.58 2bax n HIS 115 Ca 0.06 -0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 2bax n HIS 115 Cb 0.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 2bax n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2bax s LYS 116 N -1.95 3.94 -1.55 -0.41 2.47 -0.90 -0.59 119.74 120.75 2bax s LYS 116 Ca 0.22 0.51 -0.04 0.00 -1.56 0.00 0.00 55.97 55.11 2bax s LYS 116 Cb 0.11 -2.58 0.01 0.00 -1.46 0.00 0.00 37.83 33.91 2bax s LYS 116 CO 0.17 0.26 0.43 0.09 0.16 0.00 0.00 175.35 176.46 2bax n ASN 117 N -0.12 -5.70 -4.76 1.43 3.02 0.66 -4.88 115.26 104.89 2bax n ASN 117 Ca 0.01 -0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 2bax n ASN 117 Cb 0.53 -4.66 0.02 0.00 -0.61 0.00 0.00 39.78 35.06 2bax n ASN 117 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bax s LEU 118 N -6.47 4.02 -0.04 3.41 1.43 -1.26 -4.95 118.68 114.82 2bax s LEU 118 Ca 0.23 2.73 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 2bax s LEU 118 Cb -0.11 -4.10 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 2bax s LEU 118 CO 0.28 -1.24 1.24 -0.62 0.23 0.00 0.00 176.35 176.25 2bax s ASP 119 N -0.83 7.01 0.00 2.29 3.68 -1.26 -4.90 116.67 122.66 2bax s ASP 119 Ca 0.65 1.88 0.08 0.00 2.13 0.00 0.00 52.55 57.29 2bax s ASP 119 Cb -0.39 -2.56 0.49 0.00 -1.45 0.00 0.00 42.92 39.01 2bax s ASP 119 CO 0.49 -0.61 1.25 0.29 0.13 0.00 0.00 175.17 176.72 2bax n LYS 120 N 5.21 0.92 0.09 4.34 4.76 -1.26 -2.42 118.16 129.79 2bax n LYS 120 Ca 0.11 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.66 2bax n LYS 120 Cb 0.46 -1.14 0.43 0.00 -1.84 0.00 0.00 35.03 32.94 2bax n LYS 120 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2bax n LYS 121 N -0.64 0.13 -0.59 1.97 5.02 -1.26 -2.12 118.16 120.66 2bax n LYS 121 Ca 0.06 0.36 0.03 0.00 -2.02 0.00 0.00 58.31 56.75 2bax n LYS 121 Cb 0.03 -1.75 0.24 0.00 -0.02 0.00 0.00 35.03 33.53 2bax n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bax n ASN 122 N -2.00 3.43 0.00 4.39 5.03 -1.02 -5.23 115.26 119.87 2bax n ASN 122 Ca 0.03 -3.29 0.00 0.00 0.87 0.00 0.00 54.58 52.19 2bax n ASN 122 Cb 0.21 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 2bax n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43