#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjz h ARG 3 N 0.00 0.67 -4.13 4.33 2.43 -2.02 -3.42 114.38 112.24 1bjz h ARG 3 Ca 0.00 -0.72 -0.67 0.00 -0.81 0.00 0.00 59.98 57.78 1bjz h ARG 3 Cb 0.00 0.20 -0.38 0.00 -0.42 0.00 0.00 29.97 29.37 1bjz h ARG 3 CO 0.00 1.30 -0.59 -0.51 -1.51 0.00 0.00 179.97 178.66 1bjz s LEU 4 N -8.07 4.88 0.06 3.80 1.43 -1.26 -4.54 118.68 114.98 1bjz s LEU 4 Ca -0.09 -2.45 -0.26 0.00 -1.03 0.00 0.00 54.13 50.29 1bjz s LEU 4 Cb 0.07 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.64 1bjz s LEU 4 CO 0.92 -0.39 0.69 0.54 0.23 0.00 0.00 176.35 178.34 1bjz s ASN 5 N 0.83 -0.55 0.19 2.29 6.03 -1.26 -5.04 114.94 117.42 1bjz s ASN 5 Ca 0.13 0.20 -0.17 0.00 -1.03 0.00 0.00 52.86 51.99 1bjz s ASN 5 Cb -0.22 0.53 0.17 0.00 -3.03 0.00 0.00 41.25 38.70 1bjz s ASN 5 CO -0.04 -0.79 1.33 -1.14 -2.03 0.00 0.00 177.10 174.42 1bjz n ARG 6 N 0.02 -0.23 0.00 3.55 0.63 -1.26 -1.62 116.66 117.75 1bjz n ARG 6 Ca -0.16 1.32 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 1bjz n ARG 6 Cb 0.62 -1.95 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1bjz n ARG 6 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bjz n GLU 7 N -5.23 0.00 -0.22 -0.14 2.13 -1.26 -0.86 120.64 115.06 1bjz n GLU 7 Ca 0.08 0.96 -0.07 0.00 0.66 0.00 0.00 57.16 58.78 1bjz n GLU 7 Cb 0.32 -1.46 0.03 0.00 0.27 0.00 0.00 31.44 30.61 1bjz n GLU 7 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1bjz h SER 8 N 0.00 0.84 -0.84 4.31 0.02 -1.73 -1.38 113.55 114.78 1bjz h SER 8 Ca 0.00 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.90 1bjz h SER 8 Cb 0.00 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.24 1bjz h SER 8 CO 0.00 0.78 0.46 0.58 -1.14 0.00 0.00 176.83 177.51 1bjz h VAL 9 N 0.85 0.83 -0.05 2.27 2.07 -0.79 0.18 116.25 121.61 1bjz h VAL 9 Ca 0.20 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.32 1bjz h VAL 9 Cb 0.20 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1bjz h VAL 9 CO -0.02 0.13 -0.56 0.40 0.02 0.00 0.00 177.57 177.54 1bjz h ILE 10 N 0.72 1.40 -0.16 4.57 2.04 -0.76 -1.21 117.51 124.11 1bjz h ILE 10 Ca 0.43 -1.96 0.04 0.00 1.00 0.00 0.00 64.86 64.37 1bjz h ILE 10 Cb 0.49 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.92 1bjz h ILE 10 CO -0.30 0.58 -0.13 0.44 0.00 0.00 0.00 178.15 178.74 1bjz h ASP 11 N 0.01 -0.43 -0.70 1.72 3.32 -0.64 0.14 116.42 119.85 1bjz h ASP 11 Ca -0.06 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1bjz h ASP 11 Cb 1.24 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.97 1bjz h ASP 11 CO 0.11 -0.18 0.40 0.00 -1.72 0.00 0.00 179.24 177.86 1bjz h ALA 12 N 0.95 1.38 -0.26 3.45 0.00 -0.70 -1.48 119.26 122.60 1bjz h ALA 12 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1bjz h ALA 12 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bjz h ALA 12 CO -0.25 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 1bjz h ALA 13 N 1.46 0.35 -0.57 0.00 0.00 0.07 0.20 119.26 120.77 1bjz h ALA 13 Ca 0.25 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bjz h ALA 13 Cb -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bjz h ALA 13 CO -0.04 0.13 0.26 -0.07 0.00 0.00 0.00 179.25 179.53 1bjz h LEU 14 N 0.23 0.77 -0.57 0.00 3.38 -0.57 0.34 115.31 118.90 1bjz h LEU 14 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1bjz h LEU 14 Cb 0.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1bjz h LEU 14 CO 0.02 0.70 0.25 -0.08 0.09 0.00 0.00 178.44 179.43 1bjz h GLU 15 N 0.78 0.83 -0.51 1.13 4.81 -1.13 -1.78 114.58 118.71 1bjz h GLU 15 Ca 0.20 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1bjz h GLU 15 Cb 0.15 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1bjz h GLU 15 CO -0.02 0.69 -0.10 1.25 -0.73 0.00 0.00 179.01 180.11 1bjz h LEU 16 N 0.77 0.92 -0.56 1.64 5.85 -0.25 -2.74 115.31 120.95 1bjz h LEU 16 Ca 0.19 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1bjz h LEU 16 Cb 0.15 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1bjz h LEU 16 CO -0.02 1.04 0.17 0.25 -0.34 0.00 0.00 178.44 179.54 1bjz h LEU 17 N 0.84 0.13 -1.33 2.25 5.85 0.38 0.26 115.31 123.69 1bjz h LEU 17 Ca 0.14 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1bjz h LEU 17 Cb 0.63 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1bjz h LEU 17 CO 0.04 0.09 -0.05 0.78 -0.34 0.00 0.00 178.44 178.96 1bjz h ASN 18 N 0.34 0.36 -0.16 1.25 2.35 -1.07 0.22 115.58 118.87 1bjz h ASN 18 Ca 0.28 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.74 1bjz h ASN 18 Cb 0.36 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.64 1bjz h ASN 18 CO -0.31 0.46 -0.77 -0.33 -1.65 0.00 0.00 177.43 174.84 1bjz h GLU 19 N 0.37 0.81 0.00 0.81 5.08 -0.76 -3.40 114.58 117.49 1bjz h GLU 19 Ca 0.08 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 1bjz h GLU 19 Cb 0.33 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1bjz h GLU 19 CO 0.01 1.25 0.00 0.25 -1.00 0.00 0.00 179.01 179.53 1bjz n THR 20 N -3.94 0.54 -0.59 1.13 -2.24 -0.38 -5.12 114.28 103.68 1bjz n THR 20 Ca -0.07 -0.61 0.08 0.00 -2.27 0.00 0.00 64.05 61.18 1bjz n THR 20 Cb 0.74 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1bjz n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjz n GLY 21 N -0.27 -1.89 0.23 3.38 0.00 0.77 -2.54 105.19 104.88 1bjz n GLY 21 Ca 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1bjz n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bjz h ILE 22 N -0.56 0.69 0.18 -0.61 2.10 -1.83 -2.77 117.51 114.71 1bjz h ILE 22 Ca -0.01 -0.93 -0.31 0.00 1.08 0.00 0.00 64.86 64.69 1bjz h ILE 22 Cb 0.55 1.59 0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1bjz h ILE 22 CO 0.01 0.21 -1.49 0.44 -1.08 0.00 0.00 178.15 176.24 1bjz h ASP 23 N 0.00 0.59 0.62 2.19 3.32 -1.98 -3.31 116.42 117.87 1bjz h ASP 23 Ca -0.00 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.13 1bjz h ASP 23 Cb 0.57 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bjz h ASP 23 CO 0.03 1.68 0.00 0.61 -1.72 0.00 0.00 179.24 179.84 1bjz n GLY 24 N 1.78 -1.12 3.60 2.75 0.00 -1.05 -4.68 105.19 106.45 1bjz n GLY 24 Ca -0.22 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1bjz n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bjz s LEU 25 N -3.21 3.54 0.14 0.99 2.96 -1.05 -4.95 118.68 117.10 1bjz s LEU 25 Ca 0.08 0.80 0.09 0.00 -0.22 0.00 0.00 54.13 54.88 1bjz s LEU 25 Cb 0.11 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1bjz s LEU 25 CO 0.33 -1.53 -0.21 0.42 -1.32 0.00 0.00 176.35 174.03 1bjz s THR 26 N 5.81 1.89 0.41 3.68 -4.23 -1.26 -5.01 115.64 116.91 1bjz s THR 26 Ca 0.63 -1.76 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 1bjz s THR 26 Cb -0.14 -1.77 0.24 0.00 1.34 0.00 0.00 72.50 72.16 1bjz s THR 26 CO 0.32 -0.14 2.01 0.71 -0.54 0.00 0.00 174.62 176.98 1bjz h THR 27 N 3.66 0.80 0.68 3.99 1.35 -1.95 -1.60 112.91 119.85 1bjz h THR 27 Ca -0.45 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 64.69 1bjz h THR 27 Cb 1.19 1.41 0.01 0.00 -1.73 0.00 0.00 68.15 69.02 1bjz h THR 27 CO 0.44 0.17 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.47 1bjz h ARG 28 N 0.00 -0.88 0.00 4.72 2.43 -1.98 0.46 114.38 119.12 1bjz h ARG 28 Ca -0.00 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1bjz h ARG 28 Cb 0.39 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1bjz h ARG 28 CO 0.02 -0.57 -0.31 -0.22 -1.51 0.00 0.00 179.97 177.38 1bjz h LYS 29 N -0.98 0.00 -0.43 0.20 3.64 -1.88 -2.31 116.57 114.81 1bjz h LYS 29 Ca -0.09 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 1bjz h LYS 29 Cb 0.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1bjz h LYS 29 CO 0.15 0.31 0.10 1.25 -2.27 0.00 0.00 179.45 178.99 1bjz h LEU 30 N 0.00 0.67 -0.18 5.20 5.85 -0.99 0.07 115.31 125.93 1bjz h LEU 30 Ca -0.00 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.51 1bjz h LEU 30 Cb 0.62 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1bjz h LEU 30 CO 0.04 0.74 -0.05 0.00 -0.34 0.00 0.00 178.44 178.83 1bjz h ALA 31 N 0.96 0.12 -0.90 1.25 0.00 -0.53 -1.16 119.26 118.99 1bjz h ALA 31 Ca 0.14 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1bjz h ALA 31 Cb 0.34 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1bjz h ALA 31 CO 0.00 -0.48 0.60 1.96 0.00 0.00 0.00 179.25 181.33 1bjz h GLN 32 N -0.01 1.18 -0.62 0.00 4.20 -1.11 0.13 115.11 118.88 1bjz h GLN 32 Ca 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1bjz h GLN 32 Cb 0.14 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1bjz h GLN 32 CO -0.19 0.78 0.27 -0.22 -0.67 0.00 0.00 178.83 178.80 1bjz h LYS 33 N 1.22 0.91 0.00 1.46 3.64 -0.51 -2.27 116.57 121.01 1bjz h LYS 33 Ca 0.33 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1bjz h LYS 33 Cb -0.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1bjz h LYS 33 CO -0.08 0.75 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.54 1bjz h LEU 34 N 0.86 0.00 -0.64 5.20 3.38 -0.51 -3.47 115.31 120.11 1bjz h LEU 34 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1bjz h LEU 34 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1bjz h LEU 34 CO -0.02 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1bjz n GLY 35 N 0.21 0.90 3.30 0.83 0.00 0.39 -5.09 105.19 105.74 1bjz n GLY 35 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1bjz n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bjz s ILE 36 N -2.64 0.49 0.44 -0.61 -4.36 -0.88 -5.03 121.20 108.61 1bjz s ILE 36 Ca 0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 1bjz s ILE 36 Cb 0.00 -2.62 -0.09 0.00 1.25 0.00 0.00 42.46 41.00 1bjz s ILE 36 CO 0.00 0.00 1.03 -1.61 0.24 0.00 0.00 174.94 174.60 1bjz s GLU 37 N -4.05 4.03 0.25 0.37 0.41 -1.26 -4.34 118.70 114.12 1bjz s GLU 37 Ca 0.38 1.39 -0.03 0.00 -0.41 0.00 0.00 54.97 56.31 1bjz s GLU 37 Cb 0.08 -2.31 0.47 0.00 -1.78 0.00 0.00 34.13 30.58 1bjz s GLU 37 CO 0.13 -0.24 1.77 1.96 -0.49 0.00 0.00 175.26 178.39 1bjz h GLN 38 N 2.05 0.60 0.00 1.61 4.20 -1.94 -1.08 115.11 120.55 1bjz h GLN 38 Ca -0.49 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 1bjz h GLN 38 Cb 1.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1bjz h GLN 38 CO 0.61 0.40 -0.23 -1.35 -0.67 0.00 0.00 178.83 177.59 1bjz h PRO 39 N 0.62 0.00 -0.37 1.46 0.11 -1.99 0.75 132.00 132.59 1bjz h PRO 39 Ca 0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 1bjz h PRO 39 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1bjz h PRO 39 CO -0.34 0.23 -0.01 1.15 -0.21 0.00 0.00 178.00 178.82 1bjz h THR 40 N 0.00 1.26 0.34 -1.15 2.02 -1.59 -2.83 112.91 110.96 1bjz h THR 40 Ca -0.00 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1bjz h THR 40 Cb 0.43 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1bjz h THR 40 CO 0.03 0.34 -0.16 0.25 0.37 0.00 0.00 175.52 176.35 1bjz h LEU 41 N 0.47 -0.38 -1.02 2.58 5.85 -0.97 -3.03 115.31 118.81 1bjz h LEU 41 Ca 0.10 -0.08 0.38 0.00 0.84 0.00 0.00 57.88 59.12 1bjz h LEU 41 Cb 0.49 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.45 1bjz h LEU 41 CO 0.02 -0.15 0.57 0.22 -0.34 0.00 0.00 178.44 178.75 1bjz h TYR 42 N -0.61 0.86 -1.00 1.25 3.20 -0.82 0.91 116.97 120.77 1bjz h TYR 42 Ca -0.05 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1bjz h TYR 42 Cb 0.44 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 1bjz h TYR 42 CO -0.02 -0.33 0.65 2.35 -1.64 0.00 0.00 178.16 179.17 1bjz h TRP 43 N 0.15 1.20 0.03 -3.82 7.01 -1.37 -3.00 115.95 116.15 1bjz h TRP 43 Ca 0.80 0.03 -0.29 0.00 2.11 0.00 0.00 58.89 61.54 1bjz h TRP 43 Cb 2.01 -0.40 -0.04 0.00 -2.10 0.00 0.00 29.16 28.63 1bjz h TRP 43 CO -0.01 0.64 -1.63 0.45 -2.79 0.00 0.00 178.44 175.10 1bjz h HIS 44 N 1.20 0.12 -3.16 2.65 3.86 0.68 -3.44 115.15 117.05 1bjz h HIS 44 Ca 0.42 -0.09 -0.49 0.00 -1.16 0.00 0.00 60.37 59.05 1bjz h HIS 44 Cb 0.12 -0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.19 1bjz h HIS 44 CO -0.00 1.15 -0.76 0.08 0.86 0.00 0.00 177.93 179.26 1bjz s VAL 45 N -2.61 0.25 0.37 2.45 1.01 -0.06 -5.02 120.40 116.79 1bjz s VAL 45 Ca -0.07 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1bjz s VAL 45 Cb 0.08 -0.84 0.17 0.00 0.00 0.00 0.00 36.38 35.79 1bjz s VAL 45 CO 0.82 -0.26 1.92 0.11 0.00 0.00 0.00 175.10 177.69 1bjz h LYS 46 N 8.32 0.36 -2.38 2.72 1.79 -1.83 -3.32 116.57 122.23 1bjz h LYS 46 Ca -0.16 -0.07 0.23 0.00 -2.18 0.00 0.00 60.65 58.48 1bjz h LYS 46 Cb 1.13 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.68 1bjz h LYS 46 CO 0.32 0.43 0.72 0.54 -1.08 0.00 0.00 179.45 180.38 1bjz s ASN 47 N -6.82 0.01 0.19 0.86 2.20 -1.26 -4.98 114.94 105.15 1bjz s ASN 47 Ca -0.06 -0.49 -0.11 0.00 -0.94 0.00 0.00 52.86 51.25 1bjz s ASN 47 Cb 0.16 0.36 0.11 0.00 -2.00 0.00 0.00 41.25 39.88 1bjz s ASN 47 CO 0.74 -0.71 1.81 0.50 -2.94 0.00 0.00 177.10 176.50 1bjz h LYS 48 N 2.00 0.92 -0.32 3.55 3.64 -1.96 -2.05 116.57 122.36 1bjz h LYS 48 Ca -0.25 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1bjz h LYS 48 Cb 1.20 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 1bjz h LYS 48 CO 0.34 0.69 -0.02 -0.09 -2.27 0.00 0.00 179.45 178.11 1bjz h ARG 49 N 0.91 0.07 -0.77 1.90 9.65 -1.99 0.23 114.38 124.38 1bjz h ARG 49 Ca 0.23 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 59.14 1bjz h ARG 49 Cb 0.03 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 1bjz h ARG 49 CO -0.04 0.04 0.49 0.00 2.80 0.00 0.00 179.97 183.26 1bjz h ALA 50 N 1.29 1.01 0.28 2.80 0.00 -1.90 -0.36 119.26 122.38 1bjz h ALA 50 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1bjz h ALA 50 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bjz h ALA 50 CO -0.28 0.28 -0.14 1.25 0.00 0.00 0.00 179.25 180.37 1bjz h LEU 51 N 0.94 -0.32 -0.61 0.00 5.85 -0.54 -2.18 115.31 118.45 1bjz h LEU 51 Ca 0.31 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1bjz h LEU 51 Cb 0.02 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1bjz h LEU 51 CO -0.12 -0.16 0.35 -0.07 -0.34 0.00 0.00 178.44 178.10 1bjz h LEU 52 N -0.46 0.54 -0.67 2.25 3.38 -0.24 -0.94 115.31 119.18 1bjz h LEU 52 Ca -0.04 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1bjz h LEU 52 Cb 0.35 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1bjz h LEU 52 CO 0.06 0.37 0.29 0.44 0.09 0.00 0.00 178.44 179.69 1bjz h ASP 53 N 0.67 0.33 0.17 -0.43 3.32 -0.91 0.37 116.42 119.94 1bjz h ASP 53 Ca 0.26 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.26 1bjz h ASP 53 Cb 0.10 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1bjz h ASP 53 CO -0.14 0.18 -0.47 0.00 -1.72 0.00 0.00 179.24 177.09 1bjz h ALA 54 N 1.44 0.93 -0.34 3.45 0.00 -0.76 -3.01 119.26 120.98 1bjz h ALA 54 Ca 0.34 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1bjz h ALA 54 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bjz h ALA 54 CO -0.30 0.65 -0.41 -0.07 0.00 0.00 0.00 179.25 179.11 1bjz h LEU 55 N 0.29 0.94 0.49 0.00 3.38 0.18 -2.11 115.31 118.50 1bjz h LEU 55 Ca 0.02 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1bjz h LEU 55 Cb 0.94 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1bjz h LEU 55 CO 0.08 1.24 -0.34 0.00 0.09 0.00 0.00 178.44 179.51 1bjz h ALA 56 N 0.73 -0.82 -0.59 1.53 0.00 -0.92 0.41 119.26 119.60 1bjz h ALA 56 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1bjz h ALA 56 Cb 1.01 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1bjz h ALA 56 CO 0.10 -0.98 0.27 -0.39 0.00 0.00 0.00 179.25 178.24 1bjz h VAL 57 N -0.80 1.20 -0.49 0.00 -1.51 -1.60 -2.18 116.25 110.86 1bjz h VAL 57 Ca -0.05 -0.59 -0.13 0.00 -1.23 0.00 0.00 66.70 64.70 1bjz h VAL 57 Cb 0.67 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 1bjz h VAL 57 CO 0.03 0.24 -0.20 -0.08 -1.23 0.00 0.00 177.57 176.33 1bjz h GLU 58 N 0.84 1.00 -0.56 5.19 4.57 -0.98 0.13 114.58 124.76 1bjz h GLU 58 Ca 0.20 -0.42 0.02 0.00 -1.18 0.00 0.00 59.36 57.99 1bjz h GLU 58 Cb 0.11 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1bjz h GLU 58 CO -0.02 1.10 0.35 0.82 -1.18 0.00 0.00 179.01 180.08 1bjz h ILE 59 N 0.87 1.09 0.13 2.32 2.04 0.28 -0.42 117.51 123.81 1bjz h ILE 59 Ca 0.12 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1bjz h ILE 59 Cb 0.78 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1bjz h ILE 59 CO 0.06 0.13 -0.06 -0.07 0.00 0.00 0.00 178.15 178.21 1bjz h LEU 60 N 0.70 -0.15 -0.43 1.44 -0.00 -1.14 -2.08 115.31 113.66 1bjz h LEU 60 Ca 0.22 -0.41 0.06 0.00 -0.00 0.00 0.00 57.88 57.75 1bjz h LEU 60 Cb -0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.64 1bjz h LEU 60 CO -0.08 0.40 0.14 0.00 -0.00 0.00 0.00 178.44 178.90 1bjz h ALA 61 N -0.08 0.51 0.00 1.53 0.00 -0.76 0.73 119.26 121.19 1bjz h ALA 61 Ca -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1bjz h ALA 61 Cb 0.54 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bjz h ALA 61 CO 0.03 -0.26 -0.29 -0.09 0.00 0.00 0.00 179.25 178.65 1bjz h ARG 62 N 0.30 0.00 0.00 0.00 2.43 -1.15 -3.38 114.38 112.57 1bjz h ARG 62 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1bjz h ARG 62 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1bjz h ARG 62 CO -0.22 0.29 -0.06 0.72 -1.51 0.00 0.00 179.97 179.18 1bjz n HIS 63 N -3.63 0.00 -2.09 2.20 8.25 -0.78 -4.84 115.22 114.33 1bjz n HIS 63 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1bjz n HIS 63 Cb 0.41 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 1bjz n HIS 63 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1bjz n HIS 64 N -0.46 2.62 0.26 4.41 -0.00 0.25 -4.50 115.22 117.80 1bjz n HIS 64 Ca 0.00 -2.77 0.18 0.00 0.46 0.00 0.00 57.72 55.58 1bjz n HIS 64 Cb 0.00 -1.73 0.85 0.00 -0.12 0.00 0.00 29.99 28.99 1bjz n HIS 64 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1bjz h ASP 65 N 4.52 0.00 -2.00 0.26 3.04 -1.83 -2.59 116.42 117.81 1bjz h ASP 65 Ca 0.68 0.00 -0.71 0.00 -3.24 0.00 0.00 57.03 53.76 1bjz h ASP 65 Cb 0.31 0.00 -0.33 0.00 -1.04 0.00 0.00 39.33 38.26 1bjz h ASP 65 CO 1.43 0.00 0.33 0.00 -2.04 0.00 0.00 179.24 178.96 1bjz n TYR 66 N -3.25 3.23 0.09 4.15 4.19 -1.26 -4.72 117.16 119.59 1bjz n TYR 66 Ca 0.01 -2.87 -0.17 0.00 3.31 0.00 0.00 57.90 58.17 1bjz n TYR 66 Cb 0.39 -0.81 -0.10 0.00 0.49 0.00 0.00 39.34 39.31 1bjz n TYR 66 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1bjz h SER 67 N 3.21 0.58 -4.03 2.98 4.64 -1.82 -3.38 113.55 115.71 1bjz h SER 67 Ca 0.42 -0.54 -0.67 0.00 -0.47 0.00 0.00 61.79 60.53 1bjz h SER 67 Cb 0.39 -0.18 -0.23 0.00 -0.31 0.00 0.00 62.40 62.07 1bjz h SER 67 CO 1.12 1.38 -0.86 -0.76 -0.87 0.00 0.00 176.83 176.84 1bjz s LEU 68 N -7.52 2.28 0.93 5.97 1.43 -1.26 -4.95 118.68 115.57 1bjz s LEU 68 Ca -0.06 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1bjz s LEU 68 Cb 0.07 -1.17 0.15 0.00 0.03 0.00 0.00 46.19 45.27 1bjz s LEU 68 CO 0.89 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 176.58 1bjz s PRO 69 N -1.86 0.93 -0.15 1.29 0.04 -1.26 -5.06 135.00 128.93 1bjz s PRO 69 Ca 0.12 1.04 -0.06 0.00 0.04 0.00 0.00 61.00 62.14 1bjz s PRO 69 Cb -0.10 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1bjz s PRO 69 CO 0.05 -2.53 0.07 0.00 0.04 0.00 0.00 177.00 174.63 1bjz s ALA 70 N -2.78 3.50 0.11 8.56 0.00 -1.26 -5.05 121.76 124.85 1bjz s ALA 70 Ca 0.65 -0.73 -0.35 0.00 0.00 0.00 0.00 51.96 51.52 1bjz s ALA 70 Cb -0.20 -1.85 -0.15 0.00 0.00 0.00 0.00 23.12 20.91 1bjz s ALA 70 CO 0.58 0.36 1.48 0.00 0.00 0.00 0.00 175.76 178.18 1bjz n ALA 71 N 2.89 0.23 -1.41 0.00 0.00 -1.26 -2.32 120.51 118.65 1bjz n ALA 71 Ca -0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1bjz n ALA 71 Cb 0.53 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1bjz n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bjz n GLY 72 N 3.03 0.78 3.40 0.00 0.00 -1.26 -5.07 105.19 106.06 1bjz n GLY 72 Ca 0.18 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1bjz n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bjz s GLU 73 N -3.05 1.94 0.53 1.61 2.12 -0.98 -5.11 118.70 115.76 1bjz s GLU 73 Ca 0.00 -1.04 -0.18 0.00 0.36 0.00 0.00 54.97 54.10 1bjz s GLU 73 Cb 0.00 -2.08 -0.06 0.00 0.26 0.00 0.00 34.13 32.24 1bjz s GLU 73 CO 0.00 0.53 1.06 -1.54 -0.54 0.00 0.00 175.26 174.77 1bjz s SER 74 N -1.31 6.04 0.48 -1.70 1.04 -1.26 -4.88 113.70 112.10 1bjz s SER 74 Ca 0.13 1.92 0.18 0.00 0.48 0.00 0.00 55.95 58.67 1bjz s SER 74 Cb -0.10 -2.55 1.17 0.00 0.10 0.00 0.00 66.02 64.63 1bjz s SER 74 CO 0.03 -0.99 2.03 4.11 0.98 0.00 0.00 173.24 179.41 1bjz h TRP 75 N 1.09 0.00 0.20 5.02 5.08 -1.98 0.14 115.95 125.49 1bjz h TRP 75 Ca -0.49 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.47 1bjz h TRP 75 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1bjz h TRP 75 CO 0.57 0.15 -0.10 1.96 -1.28 0.00 0.00 178.44 179.74 1bjz h GLN 76 N 0.00 -0.26 -1.01 0.12 7.50 -1.98 0.34 115.11 119.83 1bjz h GLN 76 Ca -0.00 0.02 0.06 0.00 0.50 0.00 0.00 58.65 59.22 1bjz h GLN 76 Cb 0.29 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 27.82 1bjz h GLN 76 CO 0.02 0.06 0.65 0.77 -1.50 0.00 0.00 178.83 178.83 1bjz h SER 77 N -0.59 1.06 0.85 1.46 0.02 -1.78 -0.54 113.55 114.02 1bjz h SER 77 Ca -0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1bjz h SER 77 Cb 0.44 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1bjz h SER 77 CO 0.04 0.70 -0.41 0.15 -1.14 0.00 0.00 176.83 176.17 1bjz h PHE 78 N 1.21 -1.05 -0.99 3.45 3.57 -0.76 -0.28 116.94 122.07 1bjz h PHE 78 Ca 0.42 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.05 1bjz h PHE 78 Cb 0.11 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.11 1bjz h PHE 78 CO -0.00 -0.65 0.62 -0.07 -2.23 0.00 0.00 178.31 175.98 1bjz h LEU 79 N -1.25 0.84 0.67 0.59 3.38 -0.63 0.38 115.31 119.29 1bjz h LEU 79 Ca -0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1bjz h LEU 79 Cb 0.88 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.54 1bjz h LEU 79 CO 0.19 0.39 -0.32 -0.09 0.09 0.00 0.00 178.44 178.69 1bjz h ARG 80 N 0.87 -0.87 -0.82 1.13 2.43 -0.97 -0.40 114.38 115.75 1bjz h ARG 80 Ca 0.53 0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.76 1bjz h ARG 80 Cb 0.69 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 1bjz h ARG 80 CO -0.30 -0.55 0.54 -0.91 -1.51 0.00 0.00 179.97 177.24 1bjz h ASN 81 N -1.10 0.95 -0.69 -3.80 2.35 -0.64 -1.35 115.58 111.30 1bjz h ASN 81 Ca -0.09 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1bjz h ASN 81 Cb 0.73 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 1bjz h ASN 81 CO 0.15 0.69 0.12 -1.13 -1.65 0.00 0.00 177.43 175.61 1bjz h ASN 82 N 1.11 1.08 -0.39 5.81 -0.73 -0.20 -1.59 115.58 120.67 1bjz h ASN 82 Ca 0.30 -0.26 -0.16 0.00 1.87 0.00 0.00 56.30 58.06 1bjz h ASN 82 Cb -0.12 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.18 1bjz h ASN 82 CO -0.06 1.06 -0.37 0.00 -0.37 0.00 0.00 177.43 177.69 1bjz h ALA 83 N 1.06 0.58 -0.38 1.57 0.00 -0.46 -1.86 119.26 119.76 1bjz h ALA 83 Ca 0.21 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1bjz h ALA 83 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bjz h ALA 83 CO 0.01 0.67 0.08 0.52 0.00 0.00 0.00 179.25 180.53 1bjz h MET 84 N 0.77 0.62 -0.60 0.00 2.86 -1.12 -1.36 114.93 116.10 1bjz h MET 84 Ca 0.07 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1bjz h MET 84 Cb 0.96 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 1bjz h MET 84 CO 0.09 0.67 0.16 1.03 1.06 0.00 0.00 176.91 179.93 1bjz h SER 85 N 0.47 0.85 -0.31 1.22 0.87 -1.25 -0.11 113.55 115.29 1bjz h SER 85 Ca 0.12 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1bjz h SER 85 Cb 0.34 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1bjz h SER 85 CO 0.00 0.82 0.04 0.15 -0.53 0.00 0.00 176.83 177.31 1bjz h PHE 86 N 0.88 0.56 0.06 2.24 3.57 -1.11 -0.63 116.94 122.52 1bjz h PHE 86 Ca 0.19 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1bjz h PHE 86 Cb 0.29 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1bjz h PHE 86 CO 0.02 0.62 -0.03 -0.09 -2.23 0.00 0.00 178.31 176.60 1bjz h ARG 87 N 0.34 -0.08 -0.90 1.11 2.43 -0.93 0.45 114.38 116.81 1bjz h ARG 87 Ca 0.09 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1bjz h ARG 87 Cb 0.37 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1bjz h ARG 87 CO 0.01 0.09 0.59 0.00 -1.51 0.00 0.00 179.97 179.15 1bjz h ARG 88 N -0.23 1.16 -0.20 0.20 3.08 -1.02 0.06 114.38 117.43 1bjz h ARG 88 Ca -0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1bjz h ARG 88 Cb 0.20 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1bjz h ARG 88 CO 0.01 0.76 0.10 0.00 -1.07 0.00 0.00 179.97 179.78 1bjz h ALA 89 N 1.34 0.25 0.00 0.04 0.00 -0.84 -2.02 119.26 118.03 1bjz h ALA 89 Ca 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1bjz h ALA 89 Cb -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bjz h ALA 89 CO -0.09 -0.21 -0.25 -0.07 0.00 0.00 0.00 179.25 178.63 1bjz h LEU 90 N 0.20 0.00 0.00 0.00 3.38 -0.42 -2.74 115.31 115.74 1bjz h LEU 90 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bjz h LEU 90 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bjz h LEU 90 CO -0.01 0.25 -0.20 0.18 0.09 0.00 0.00 178.44 178.76 1bjz n LEU 91 N -4.09 0.52 0.17 1.67 4.77 -0.04 -3.81 117.00 116.20 1bjz n LEU 91 Ca -0.02 0.41 0.04 0.00 -0.03 0.00 0.00 56.01 56.41 1bjz n LEU 91 Cb 0.32 -0.33 0.46 0.00 -2.33 0.00 0.00 43.42 41.53 1bjz n LEU 91 CO 0.36 -0.06 0.91 -0.09 -1.33 0.00 0.00 177.39 177.18 1bjz h ARG 92 N 0.00 0.11 -6.19 3.23 9.65 -1.06 -3.43 114.38 116.70 1bjz h ARG 92 Ca 0.00 -0.02 -0.61 0.00 -1.10 0.00 0.00 59.98 58.25 1bjz h ARG 92 Cb 0.64 -0.02 -0.27 0.00 -1.39 0.00 0.00 29.97 28.94 1bjz h ARG 92 CO 0.00 0.26 -0.85 0.71 2.80 0.00 0.00 179.97 182.89 1bjz s TYR 93 N -4.72 1.91 0.14 2.20 2.02 -1.25 -5.07 117.35 112.58 1bjz s TYR 93 Ca -0.05 -0.38 -0.33 0.00 -0.37 0.00 0.00 57.07 55.94 1bjz s TYR 93 Cb 0.16 -1.16 -0.13 0.00 -0.40 0.00 0.00 41.96 40.42 1bjz s TYR 93 CO 0.71 0.07 1.65 -2.13 -1.57 0.00 0.00 175.55 174.27 1bjz n ARG 94 N 2.01 2.30 -1.27 -0.62 0.63 -1.26 -0.68 116.66 117.76 1bjz n ARG 94 Ca -0.17 0.83 -0.09 0.00 -0.92 0.00 0.00 57.85 57.50 1bjz n ARG 94 Cb 0.53 -2.63 -0.04 0.00 0.45 0.00 0.00 32.46 30.77 1bjz n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1bjz n ASP 95 N 3.95 -4.95 -0.28 6.15 8.00 -1.26 -4.67 116.55 123.50 1bjz n ASP 95 Ca 0.17 0.23 0.09 0.00 0.71 0.00 0.00 54.79 56.00 1bjz n ASP 95 Cb 0.30 -3.27 0.24 0.00 -0.02 0.00 0.00 41.12 38.37 1bjz n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1bjz h GLY 96 N 0.00 1.24 0.98 0.44 0.00 -1.00 0.13 103.07 104.86 1bjz h GLY 96 Ca -0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1bjz h GLY 96 CO 0.28 -0.24 0.26 0.00 0.00 0.00 0.00 176.54 176.84 1bjz h ALA 97 N 1.67 0.65 -0.30 3.60 0.00 -1.83 -1.15 119.26 121.89 1bjz h ALA 97 Ca 0.48 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1bjz h ALA 97 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bjz h ALA 97 CO -0.54 0.18 -0.13 0.87 0.00 0.00 0.00 179.25 179.64 1bjz h LYS 98 N 0.67 0.51 -0.56 0.00 1.57 -1.23 0.60 116.57 118.13 1bjz h LYS 98 Ca 0.18 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1bjz h LYS 98 Cb 0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1bjz h LYS 98 CO -0.03 0.64 0.11 0.28 -0.57 0.00 0.00 179.45 179.89 1bjz h VAL 99 N 0.47 1.25 0.37 0.50 2.07 -0.37 -2.46 116.25 118.08 1bjz h VAL 99 Ca 0.09 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1bjz h VAL 99 Cb 0.51 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1bjz h VAL 99 CO 0.03 0.34 -0.18 -0.74 0.02 0.00 0.00 177.57 177.04 1bjz h HIS 100 N 0.82 -0.47 -0.87 1.57 -0.00 -0.68 -3.15 115.15 112.36 1bjz h HIS 100 Ca 0.17 -0.01 0.23 0.00 -0.00 0.00 0.00 60.37 60.76 1bjz h HIS 100 Cb 0.38 0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 27.81 1bjz h HIS 100 CO 0.03 -0.18 0.29 1.25 -0.00 0.00 0.00 177.93 179.32 1bjz h LEU 101 N -0.72 0.11 0.00 0.26 6.46 -0.83 -1.03 115.31 119.57 1bjz h LEU 101 Ca -0.05 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1bjz h LEU 101 Cb 0.50 0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1bjz h LEU 101 CO 0.08 -0.10 0.00 0.61 -0.62 0.00 0.00 178.44 178.41 1bjz n GLY 102 N -1.36 -0.99 3.60 3.75 0.00 -0.94 -4.82 105.19 104.44 1bjz n GLY 102 Ca 0.21 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1bjz n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjz s THR 103 N -2.00 4.05 -0.04 2.61 -4.23 -0.39 -5.02 115.64 110.62 1bjz s THR 103 Ca 0.36 -0.33 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 1bjz s THR 103 Cb 0.16 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1bjz s THR 103 CO 0.27 0.57 1.11 0.00 -0.54 0.00 0.00 174.62 176.03 1bjz s ARG 104 N -0.46 4.42 -0.26 3.99 1.70 -1.26 -4.93 118.95 122.15 1bjz s ARG 104 Ca 0.08 1.58 -0.42 0.00 -0.47 0.00 0.00 55.73 56.49 1bjz s ARG 104 Cb -0.12 -3.50 -0.19 0.00 -0.57 0.00 0.00 34.95 30.57 1bjz s ARG 104 CO 0.02 -0.31 1.48 -0.35 -1.08 0.00 0.00 175.30 175.06 1bjz n PRO 105 N 4.71 0.43 -2.08 3.89 -0.04 -1.26 -4.96 135.00 135.69 1bjz n PRO 105 Ca 0.09 0.16 -0.32 0.00 -0.04 0.00 0.00 63.50 63.39 1bjz n PRO 105 Cb 0.48 -1.72 -0.01 0.00 -0.04 0.00 0.00 33.50 32.21 1bjz n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bjz s ASP 106 N 2.15 6.30 0.65 3.54 2.15 -1.26 -4.91 116.67 125.30 1bjz s ASP 106 Ca 0.98 1.52 0.43 0.00 0.43 0.00 0.00 52.55 55.91 1bjz s ASP 106 Cb -1.28 -2.49 2.30 0.00 -0.30 0.00 0.00 42.92 41.16 1bjz s ASP 106 CO 0.68 -0.82 2.33 -0.08 -0.17 0.00 0.00 175.17 177.11 1bjz h GLU 107 N 0.21 0.00 -0.58 4.34 4.81 -1.99 0.21 114.58 121.58 1bjz h GLU 107 Ca -0.45 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1bjz h GLU 107 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1bjz h GLU 107 CO 0.61 0.00 0.23 0.87 -0.73 0.00 0.00 179.01 180.00 1bjz h LYS 108 N 0.00 0.87 -0.56 1.92 1.57 -2.01 -1.99 116.57 116.38 1bjz h LYS 108 Ca -0.00 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1bjz h LYS 108 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1bjz h LYS 108 CO 0.00 0.75 0.03 1.96 -0.57 0.00 0.00 179.45 181.62 1bjz h GLN 109 N 0.81 0.94 0.15 3.15 4.20 -0.96 -2.78 115.11 120.62 1bjz h GLN 109 Ca 0.19 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1bjz h GLN 109 Cb 0.20 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1bjz h GLN 109 CO -0.02 0.91 -0.19 1.88 -0.67 0.00 0.00 178.83 180.75 1bjz h TYR 110 N 0.87 -0.49 0.00 2.96 0.05 -0.81 0.24 116.97 119.80 1bjz h TYR 110 Ca 0.17 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 1bjz h TYR 110 Cb 0.47 0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 1bjz h TYR 110 CO 0.03 -0.28 -0.19 -0.44 -1.05 0.00 0.00 178.16 176.23 1bjz h ASP 111 N -0.39 0.00 0.30 3.88 5.19 -1.45 -0.66 116.42 123.30 1bjz h ASP 111 Ca 0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1bjz h ASP 111 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1bjz h ASP 111 CO -0.07 0.19 -0.15 0.74 -3.12 0.00 0.00 179.24 176.83 1bjz h THR 112 N 0.00 0.71 -0.77 0.35 2.02 -1.05 -1.67 112.91 112.50 1bjz h THR 112 Ca -0.00 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1bjz h THR 112 Cb 0.34 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1bjz h THR 112 CO 0.02 0.10 0.51 0.58 0.37 0.00 0.00 175.52 177.10 1bjz h VAL 113 N -0.70 1.17 0.20 3.16 2.07 -0.27 -1.62 116.25 120.26 1bjz h VAL 113 Ca -0.04 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1bjz h VAL 113 Cb 0.48 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1bjz h VAL 113 CO 0.07 0.19 -0.36 -0.08 0.02 0.00 0.00 177.57 177.41 1bjz h GLU 114 N 1.02 -0.61 0.14 1.57 4.57 -1.07 0.18 114.58 120.38 1bjz h GLU 114 Ca 0.29 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1bjz h GLU 114 Cb -0.08 0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.61 1bjz h GLU 114 CO -0.08 -0.41 -0.46 1.15 -1.18 0.00 0.00 179.01 178.03 1bjz h THR 115 N -0.64 0.10 -0.94 0.32 2.02 -0.97 0.21 112.91 113.01 1bjz h THR 115 Ca 0.01 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.39 1bjz h THR 115 Cb 0.63 0.10 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 1bjz h THR 115 CO -0.16 0.00 0.51 1.56 0.37 0.00 0.00 175.52 177.80 1bjz h GLN 116 N -0.70 0.59 -0.17 6.66 4.20 -1.05 0.19 115.11 124.84 1bjz h GLN 116 Ca 0.01 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1bjz h GLN 116 Cb 0.72 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1bjz h GLN 116 CO -0.25 0.39 -0.44 1.25 -0.67 0.00 0.00 178.83 179.11 1bjz h LEU 117 N 0.61 0.44 -0.64 1.46 5.85 0.36 -1.53 115.31 121.86 1bjz h LEU 117 Ca 0.56 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.96 1bjz h LEU 117 Cb 0.93 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1bjz h LEU 117 CO -0.43 0.82 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.16 1bjz h ARG 118 N 0.33 0.80 0.13 1.25 2.43 0.22 -2.18 114.38 117.37 1bjz h ARG 118 Ca 0.02 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1bjz h ARG 118 Cb 0.91 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1bjz h ARG 118 CO 0.08 0.96 -0.07 0.35 -1.51 0.00 0.00 179.97 179.78 1bjz h PHE 119 N 0.69 -0.19 -0.49 2.20 3.57 -0.58 -0.52 116.94 121.63 1bjz h PHE 119 Ca 0.09 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1bjz h PHE 119 Cb 0.77 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1bjz h PHE 119 CO 0.04 -0.12 0.31 0.52 -2.23 0.00 0.00 178.31 176.83 1bjz h MET 120 N -0.19 0.66 -0.74 1.11 2.86 -1.19 -2.18 114.93 115.25 1bjz h MET 120 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1bjz h MET 120 Cb 0.16 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1bjz h MET 120 CO 0.02 0.47 0.32 1.79 1.06 0.00 0.00 176.91 180.56 1bjz h THR 121 N 0.66 1.24 0.00 2.22 1.35 -1.22 0.08 112.91 117.24 1bjz h THR 121 Ca 0.18 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1bjz h THR 121 Cb -0.03 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.72 1bjz h THR 121 CO -0.04 0.31 0.00 -0.33 -0.25 0.00 0.00 175.52 175.21 1bjz h GLU 122 N 1.07 0.00 -0.67 4.72 5.08 -0.50 -1.18 114.58 123.10 1bjz h GLU 122 Ca 0.25 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1bjz h GLU 122 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1bjz h GLU 122 CO -0.03 0.00 0.05 0.09 -1.00 0.00 0.00 179.01 178.13 1bjz n ASN 123 N -2.72 5.02 0.00 1.42 3.02 -0.07 -4.87 115.26 117.06 1bjz n ASN 123 Ca -0.01 -2.87 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 1bjz n ASN 123 Cb 0.15 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1bjz n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bjz n GLY 124 N 0.41 0.57 3.71 7.41 0.00 -0.45 -5.04 105.19 111.81 1bjz n GLY 124 Ca 0.27 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1bjz n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bjz s PHE 125 N -2.00 3.44 0.73 1.61 0.08 -0.69 -5.01 117.98 116.14 1bjz s PHE 125 Ca 0.00 0.61 -0.14 0.00 0.12 0.00 0.00 56.93 57.52 1bjz s PHE 125 Cb 0.00 -2.39 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 1bjz s PHE 125 CO 0.00 0.18 1.14 -1.54 -0.10 0.00 0.00 175.22 174.90 1bjz s SER 126 N 0.61 4.50 0.25 1.36 1.04 -1.26 -3.55 113.70 116.64 1bjz s SER 126 Ca 0.17 2.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 1bjz s SER 126 Cb -0.13 -2.56 0.43 0.00 0.10 0.00 0.00 66.02 63.86 1bjz s SER 126 CO 0.05 -2.04 1.79 -0.07 0.98 0.00 0.00 173.24 173.95 1bjz h LEU 127 N -0.50 0.60 0.69 2.42 3.38 -1.97 0.87 115.31 120.81 1bjz h LEU 127 Ca -0.46 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1bjz h LEU 127 Cb 1.26 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.97 1bjz h LEU 127 CO 0.51 0.32 -0.33 -0.09 0.09 0.00 0.00 178.44 178.94 1bjz h ARG 128 N 0.72 -0.90 -0.68 1.13 2.43 -1.99 -1.52 114.38 113.56 1bjz h ARG 128 Ca 0.41 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1bjz h ARG 128 Cb 0.45 0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1bjz h ARG 128 CO -0.28 -0.60 0.44 -0.44 -1.51 0.00 0.00 179.97 177.58 1bjz h ASP 129 N -0.95 0.79 -0.69 -3.80 5.19 -1.90 0.14 116.42 115.20 1bjz h ASP 129 Ca -0.10 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.22 1bjz h ASP 129 Cb 0.71 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 1bjz h ASP 129 CO 0.16 0.58 0.15 1.23 -3.12 0.00 0.00 179.24 178.24 1bjz h GLY 130 N 0.94 1.20 1.02 2.75 0.00 -0.81 0.44 103.07 108.61 1bjz h GLY 130 Ca 0.25 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1bjz h GLY 130 CO -0.05 0.72 -0.27 -2.00 0.00 0.00 0.00 176.54 174.93 1bjz h LEU 131 N 1.05 0.85 -0.46 3.11 5.85 -0.72 -1.41 115.31 123.57 1bjz h LEU 131 Ca 0.21 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1bjz h LEU 131 Cb 0.40 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1bjz h LEU 131 CO 0.01 1.11 0.20 1.88 -0.34 0.00 0.00 178.44 181.30 1bjz h TYR 132 N 0.59 0.36 0.24 1.25 -1.99 -0.59 0.15 116.97 116.98 1bjz h TYR 132 Ca 0.06 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1bjz h TYR 132 Cb 0.84 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.48 1bjz h TYR 132 CO 0.06 0.16 -0.14 0.00 -0.00 0.00 0.00 178.16 178.24 1bjz h ALA 133 N 1.28 -0.36 -0.87 3.88 0.00 -0.75 0.37 119.26 122.80 1bjz h ALA 133 Ca 0.21 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.15 1bjz h ALA 133 Cb 0.17 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1bjz h ALA 133 CO -0.18 -0.71 0.52 0.82 0.00 0.00 0.00 179.25 179.70 1bjz h ILE 134 N -0.37 0.92 -0.18 0.00 2.04 -0.77 -1.20 117.51 117.96 1bjz h ILE 134 Ca -0.03 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1bjz h ILE 134 Cb 0.30 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1bjz h ILE 134 CO 0.03 0.16 -0.29 0.28 0.00 0.00 0.00 178.15 178.33 1bjz h SER 135 N 0.86 0.56 -0.74 1.72 0.02 -0.26 -1.83 113.55 113.88 1bjz h SER 135 Ca 0.42 -0.53 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1bjz h SER 135 Cb 0.38 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 1bjz h SER 135 CO -0.25 0.99 0.46 0.00 -1.14 0.00 0.00 176.83 176.89 1bjz h ALA 136 N 0.59 0.97 -0.36 3.77 0.00 0.21 0.53 119.26 124.97 1bjz h ALA 136 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bjz h ALA 136 Cb 0.87 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1bjz h ALA 136 CO 0.07 0.24 0.10 0.28 0.00 0.00 0.00 179.25 179.93 1bjz h VAL 137 N 0.89 1.22 -0.33 0.00 2.07 -1.19 -0.10 116.25 118.81 1bjz h VAL 137 Ca 0.30 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1bjz h VAL 137 Cb 0.04 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1bjz h VAL 137 CO -0.12 0.25 0.02 0.28 0.02 0.00 0.00 177.57 178.02 1bjz h SER 138 N 0.43 0.55 -0.39 0.57 0.02 -0.72 -0.55 113.55 113.45 1bjz h SER 138 Ca 0.11 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1bjz h SER 138 Cb 0.28 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1bjz h SER 138 CO -0.00 0.70 0.22 0.45 -1.14 0.00 0.00 176.83 177.06 1bjz h HIS 139 N 0.38 0.41 -0.47 3.45 3.86 0.25 0.19 115.15 123.22 1bjz h HIS 139 Ca 0.10 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 1bjz h HIS 139 Cb 0.41 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1bjz h HIS 139 CO 0.03 0.23 -0.10 0.35 0.86 0.00 0.00 177.93 179.31 1bjz h PHE 140 N 0.45 1.01 -0.53 2.45 3.57 -0.95 -0.88 116.94 122.05 1bjz h PHE 140 Ca 0.16 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1bjz h PHE 140 Cb 0.03 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1bjz h PHE 140 CO -0.08 0.98 0.05 1.15 -2.23 0.00 0.00 178.31 178.18 1bjz h THR 141 N 0.74 1.26 -0.51 4.41 2.02 -0.70 -1.64 112.91 118.49 1bjz h THR 141 Ca 0.12 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1bjz h THR 141 Cb 0.64 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1bjz h THR 141 CO 0.04 0.36 0.09 0.25 0.37 0.00 0.00 175.52 176.64 1bjz h LEU 142 N 0.78 0.81 -0.57 2.58 5.85 -0.52 -1.63 115.31 122.60 1bjz h LEU 142 Ca 0.16 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 1bjz h LEU 142 Cb 0.45 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1bjz h LEU 142 CO 0.02 0.86 0.24 1.23 -0.34 0.00 0.00 178.44 180.44 1bjz h GLY 143 N 0.72 0.91 0.91 3.75 0.00 -1.01 -0.70 103.07 107.66 1bjz h GLY 143 Ca 0.16 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 1bjz h GLY 143 CO 0.01 0.46 -0.02 0.00 0.00 0.00 0.00 176.54 176.99 1bjz h ALA 144 N 1.09 -0.05 -0.60 3.60 0.00 -1.07 -1.02 119.26 121.21 1bjz h ALA 144 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bjz h ALA 144 Cb 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1bjz h ALA 144 CO -0.02 -0.48 0.33 0.28 0.00 0.00 0.00 179.25 179.36 1bjz h VAL 145 N -0.14 1.19 0.05 0.00 2.07 -1.25 -0.54 116.25 117.62 1bjz h VAL 145 Ca -0.01 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1bjz h VAL 145 Cb 0.13 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1bjz h VAL 145 CO 0.01 0.21 -0.06 -0.07 0.02 0.00 0.00 177.57 177.68 1bjz h LEU 146 N 0.81 -0.16 -0.73 2.57 3.38 -0.95 0.34 115.31 120.57 1bjz h LEU 146 Ca 0.21 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1bjz h LEU 146 Cb 0.05 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1bjz h LEU 146 CO -0.03 -0.10 0.38 -0.33 0.09 0.00 0.00 178.44 178.45 1bjz h GLU 147 N -0.13 0.64 -0.48 1.13 4.39 -0.99 -0.88 114.58 118.26 1bjz h GLU 147 Ca 0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1bjz h GLU 147 Cb 0.14 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1bjz h GLU 147 CO -0.03 0.42 -0.06 0.37 -1.16 0.00 0.00 179.01 178.55 1bjz h GLN 148 N 0.65 0.84 0.00 2.33 4.15 -0.56 -2.52 115.11 120.00 1bjz h GLN 148 Ca 0.36 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1bjz h GLN 148 Cb 0.35 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1bjz h GLN 148 CO -0.25 0.88 -0.03 1.96 -1.93 0.00 0.00 178.83 179.46 1bjz h GLN 149 N 0.77 0.00 0.00 1.69 4.20 0.78 -3.11 115.11 119.43 1bjz h GLN 149 Ca 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 1bjz h GLN 149 Cb 0.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1bjz h GLN 149 CO 0.03 0.03 -1.15 1.49 -0.67 0.00 0.00 178.83 178.56 1bjz h GLU 150 N 0.00 0.00 -5.62 1.46 4.57 -1.11 -3.47 114.58 110.41 1bjz h GLU 150 Ca -0.00 0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.55 1bjz h GLU 150 Cb 0.91 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.42 1bjz h GLU 150 CO 0.00 0.11 -0.36 -1.01 -1.18 0.00 0.00 179.01 176.58 1bjz s HIS 151 N -3.19 1.56 0.00 0.92 3.76 -0.96 -5.11 115.29 112.27 1bjz s HIS 151 Ca -0.01 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.96 1bjz s HIS 151 Cb 0.09 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 32.01 1bjz s HIS 151 CO 0.80 -0.29 0.00 0.09 -0.85 0.00 0.00 174.74 174.49 1bjz n ASN 165 N -1.64 0.00 -3.67 1.40 4.13 -1.26 -4.92 115.26 109.30 1bjz n ASN 165 Ca -0.09 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.08 1bjz n ASN 165 Cb 0.65 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.80 1bjz n ASN 165 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1bjz s LEU 166 N 0.00 -0.47 0.23 3.41 2.96 -1.26 -5.14 118.68 118.41 1bjz s LEU 166 Ca 0.00 1.04 -0.32 0.00 -0.22 0.00 0.00 54.13 54.63 1bjz s LEU 166 Cb 0.00 1.51 -0.12 0.00 0.50 0.00 0.00 46.19 48.08 1bjz s LEU 166 CO 0.00 -0.22 1.65 -2.65 -1.32 0.00 0.00 176.35 173.81 1bjz n PRO 167 N 4.81 2.61 -0.07 0.98 -0.02 -1.26 -4.88 135.00 137.17 1bjz n PRO 167 Ca -0.16 0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 62.22 1bjz n PRO 167 Cb 0.53 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1bjz n PRO 167 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1bjz h PRO 168 N 5.91 -0.08 -0.89 0.52 0.11 -2.00 -1.24 132.00 134.32 1bjz h PRO 168 Ca -0.45 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.81 1bjz h PRO 168 Cb 1.22 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 1bjz h PRO 168 CO 0.89 -0.05 0.50 -0.07 -0.21 0.00 0.00 178.00 179.05 1bjz h LEU 169 N -0.08 0.64 -1.72 2.35 3.38 -2.01 0.80 115.31 118.67 1bjz h LEU 169 Ca 0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1bjz h LEU 169 Cb 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1bjz h LEU 169 CO -0.22 0.29 -0.17 0.25 0.09 0.00 0.00 178.44 178.68 1bjz h LEU 170 N 0.72 0.00 -1.49 1.67 5.85 -1.82 -1.13 115.31 119.10 1bjz h LEU 170 Ca 0.48 0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.24 1bjz h LEU 170 Cb 0.64 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1bjz h LEU 170 CO -0.34 0.17 0.38 -0.09 -0.34 0.00 0.00 178.44 178.23 1bjz h ARG 171 N 0.00 0.64 0.03 1.25 2.43 0.36 0.72 114.38 119.80 1bjz h ARG 171 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1bjz h ARG 171 Cb 0.34 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1bjz h ARG 171 CO 0.02 0.42 -0.01 0.93 -1.51 0.00 0.00 179.97 179.82 1bjz h GLU 172 N 0.66 -0.03 -0.16 0.20 4.39 -1.31 -2.95 114.58 115.37 1bjz h GLU 172 Ca 0.23 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.99 1bjz h GLU 172 Cb 0.12 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 1bjz h GLU 172 CO -0.06 0.40 -0.25 0.00 -1.16 0.00 0.00 179.01 177.94 1bjz h ALA 173 N -0.55 -0.21 -0.79 3.43 0.00 -1.02 -1.10 119.26 119.02 1bjz h ALA 173 Ca -0.00 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1bjz h ALA 173 Cb 0.45 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1bjz h ALA 173 CO 0.01 -0.70 0.36 1.25 0.00 0.00 0.00 179.25 180.17 1bjz h LEU 174 N -0.30 0.40 -2.03 0.00 5.85 0.30 0.21 115.31 119.74 1bjz h LEU 174 Ca 0.11 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1bjz h LEU 174 Cb 0.47 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1bjz h LEU 174 CO -0.33 0.17 0.00 1.56 -0.34 0.00 0.00 178.44 179.49 1bjz h GLN 175 N 0.53 0.00 0.00 1.25 4.20 -1.01 0.19 115.11 120.27 1bjz h GLN 175 Ca 0.43 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.98 1bjz h GLN 175 Cb 0.62 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1bjz h GLN 175 CO -0.37 0.00 -1.17 0.82 -0.67 0.00 0.00 178.83 177.43 1bjz h ILE 176 N 0.00 0.70 0.21 2.54 2.04 -0.73 -3.06 117.51 119.21 1bjz h ILE 176 Ca 0.00 -2.20 -0.30 0.00 1.00 0.00 0.00 64.86 63.36 1bjz h ILE 176 Cb 0.08 2.22 0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1bjz h ILE 176 CO 0.00 0.40 -1.29 0.24 0.00 0.00 0.00 178.15 177.50 1bjz h MET 177 N 0.00 0.51 0.00 2.37 2.86 -0.73 -3.29 114.93 116.64 1bjz h MET 177 Ca -0.12 -0.83 0.00 0.00 -2.06 0.00 0.00 59.70 56.69 1bjz h MET 177 Cb 1.58 0.30 0.00 0.00 0.06 0.00 0.00 31.60 33.54 1bjz h MET 177 CO 0.06 1.39 0.00 -0.25 1.06 0.00 0.00 176.91 179.17 1bjz n ASP 178 N -3.83 0.49 -0.08 1.22 9.92 0.44 -3.59 116.55 121.12 1bjz n ASP 178 Ca -0.16 0.62 -0.22 0.00 -0.53 0.00 0.00 54.79 54.50 1bjz n ASP 178 Cb 1.02 -0.72 -0.12 0.00 -0.64 0.00 0.00 41.12 40.66 1bjz n ASP 178 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1bjz n SER 179 N -2.04 1.95 -4.98 -2.24 3.41 -1.16 -4.97 113.62 103.60 1bjz n SER 179 Ca 0.02 0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.77 1bjz n SER 179 Cb 0.21 -0.90 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 1bjz n SER 179 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bjz s ASP 180 N -6.97 5.41 -0.14 4.04 2.15 -1.24 -5.03 116.67 114.89 1bjz s ASP 180 Ca -0.28 -0.26 0.13 0.00 0.43 0.00 0.00 52.55 52.57 1bjz s ASP 180 Cb 0.07 -0.68 0.63 0.00 -0.30 0.00 0.00 42.92 42.64 1bjz s ASP 180 CO 0.63 -1.01 1.49 -0.90 -0.17 0.00 0.00 175.17 175.22 1bjz n ASP 181 N -2.13 4.43 0.00 -0.34 5.75 -1.26 -4.84 116.55 118.16 1bjz n ASP 181 Ca 0.09 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 1bjz n ASP 181 Cb 0.59 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1bjz n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bjz n GLY 182 N 0.75 0.66 0.07 6.12 0.00 -1.26 -4.96 105.19 106.56 1bjz n GLY 182 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1bjz n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bjz h GLU 183 N 4.33 0.07 -0.03 1.61 4.81 -1.99 -2.57 114.58 120.81 1bjz h GLU 183 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1bjz h GLU 183 Cb 0.00 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1bjz h GLU 183 CO 0.00 0.45 -0.40 1.96 -0.73 0.00 0.00 179.01 180.29 1bjz h GLN 184 N -0.32 -0.52 -0.96 1.92 4.20 -1.98 0.17 115.11 117.62 1bjz h GLN 184 Ca 0.01 0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.87 1bjz h GLN 184 Cb 0.43 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.24 1bjz h GLN 184 CO 0.00 -0.34 0.59 0.00 -0.67 0.00 0.00 178.83 178.41 1bjz h ALA 185 N 0.06 1.45 0.14 3.87 0.00 -1.98 0.12 119.26 122.93 1bjz h ALA 185 Ca 0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bjz h ALA 185 Cb 0.63 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bjz h ALA 185 CO -0.33 0.18 -0.07 0.35 0.00 0.00 0.00 179.25 179.38 1bjz h PHE 186 N 0.93 -0.18 -0.92 0.00 3.57 -0.90 -1.18 116.94 118.26 1bjz h PHE 186 Ca 0.48 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.03 1bjz h PHE 186 Cb 0.49 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1bjz h PHE 186 CO -0.02 0.12 0.59 -0.07 -2.23 0.00 0.00 178.31 176.70 1bjz h LEU 187 N -0.48 0.96 -0.05 0.59 3.38 -0.11 0.43 115.31 120.02 1bjz h LEU 187 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1bjz h LEU 187 Cb 0.38 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1bjz h LEU 187 CO 0.03 0.63 0.02 -0.74 0.09 0.00 0.00 178.44 178.47 1bjz h HIS 188 N 1.10 0.09 -0.60 1.13 2.76 -0.73 -1.12 115.15 117.78 1bjz h HIS 188 Ca 0.39 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.54 1bjz h HIS 188 Cb 0.10 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 1bjz h HIS 188 CO -0.02 0.26 0.33 0.78 -1.30 0.00 0.00 177.93 177.99 1bjz h GLY 189 N -0.11 0.89 0.99 5.26 0.00 -0.58 -1.91 103.07 107.61 1bjz h GLY 189 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1bjz h GLY 189 CO -0.00 0.37 0.10 -2.00 0.00 0.00 0.00 176.54 175.01 1bjz h LEU 190 N 0.84 0.17 -0.97 3.11 5.85 0.23 -0.44 115.31 124.10 1bjz h LEU 190 Ca 0.22 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1bjz h LEU 190 Cb 0.02 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1bjz h LEU 190 CO -0.04 0.13 0.56 -0.33 -0.34 0.00 0.00 178.44 178.42 1bjz h GLU 191 N 0.21 1.28 -0.26 1.25 4.39 -0.62 -0.39 114.58 120.44 1bjz h GLU 191 Ca 0.06 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 1bjz h GLU 191 Cb -0.02 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.35 1bjz h GLU 191 CO -0.02 0.89 -0.25 0.77 -1.16 0.00 0.00 179.01 179.24 1bjz h SER 192 N 1.29 0.49 0.31 1.42 0.02 -1.05 -1.20 113.55 114.85 1bjz h SER 192 Ca 0.34 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1bjz h SER 192 Cb -0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.36 1bjz h SER 192 CO -0.06 0.74 -0.15 0.25 -1.14 0.00 0.00 176.83 176.47 1bjz h LEU 193 N 0.43 -0.35 -0.50 5.07 5.85 -0.16 -2.39 115.31 123.26 1bjz h LEU 193 Ca 0.06 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.70 1bjz h LEU 193 Cb 0.67 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1bjz h LEU 193 CO 0.05 -0.01 0.14 0.40 -0.34 0.00 0.00 178.44 178.69 1bjz h ILE 194 N -0.73 0.78 -0.18 4.05 2.04 -1.03 -1.29 117.51 121.14 1bjz h ILE 194 Ca -0.04 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1bjz h ILE 194 Cb 0.49 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1bjz h ILE 194 CO 0.07 0.05 0.09 -0.09 0.00 0.00 0.00 178.15 178.27 1bjz h ARG 195 N 0.30 0.25 -0.39 2.37 9.65 -1.20 -0.66 114.38 124.69 1bjz h ARG 195 Ca 0.25 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.04 1bjz h ARG 195 Cb 0.30 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1bjz h ARG 195 CO -0.28 0.20 -0.02 0.78 2.80 0.00 0.00 179.97 183.44 1bjz h GLY 196 N 0.33 0.69 1.21 2.80 0.00 -0.70 -1.96 103.07 105.44 1bjz h GLY 196 Ca 0.07 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.76 1bjz h GLY 196 CO -0.01 0.41 -0.63 0.74 0.00 0.00 0.00 176.54 177.05 1bjz h PHE 197 N 0.60 1.04 0.22 5.60 0.04 -0.88 -3.02 116.94 120.54 1bjz h PHE 197 Ca 0.12 -0.40 0.01 0.00 2.80 0.00 0.00 57.97 60.50 1bjz h PHE 197 Cb 0.41 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1bjz h PHE 197 CO 0.02 1.23 -0.35 0.93 -0.60 0.00 0.00 178.31 179.53 1bjz h GLU 198 N 0.60 -0.62 0.00 1.51 5.08 -0.72 0.18 114.58 120.61 1bjz h GLU 198 Ca -0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1bjz h GLU 198 Cb 1.24 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1bjz h GLU 198 CO 0.13 -0.42 0.00 0.28 -1.00 0.00 0.00 179.01 178.01 1bjz h VAL 199 N -0.65 0.00 0.08 3.13 2.07 -1.44 -0.58 116.25 118.85 1bjz h VAL 199 Ca 0.01 -0.01 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1bjz h VAL 199 Cb 0.63 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1bjz h VAL 199 CO -0.15 0.00 -0.88 -0.61 0.02 0.00 0.00 177.57 175.95 1bjz h GLN 200 N 0.00 0.16 0.28 1.57 5.75 -1.05 -2.85 115.11 118.97 1bjz h GLN 200 Ca 0.00 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1bjz h GLN 200 Cb 0.01 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1bjz h GLN 200 CO 0.00 1.13 -0.13 1.25 -2.65 0.00 0.00 178.83 178.43 1bjz h LEU 201 N -0.60 -0.32 -1.21 -2.39 5.85 0.04 -2.13 115.31 114.56 1bjz h LEU 201 Ca -0.19 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1bjz h LEU 201 Cb 1.48 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1bjz h LEU 201 CO 0.03 -0.16 0.00 0.74 -0.34 0.00 0.00 178.44 178.71 1bjz h THR 202 N -0.45 0.00 -0.19 1.05 2.02 -1.30 -3.00 112.91 111.04 1bjz h THR 202 Ca -0.04 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 1bjz h THR 202 Cb 0.34 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1bjz h THR 202 CO 0.06 0.00 -0.41 0.00 0.37 0.00 0.00 175.52 175.54 1bjz h ALA 203 N 2.11 0.30 -0.86 6.16 0.00 -1.13 -3.48 119.26 122.36 1bjz h ALA 203 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1bjz h ALA 203 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bjz h ALA 203 CO 0.00 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1bjz n LEU 204 N -4.24 0.00 -2.25 0.00 4.77 -1.14 -2.40 117.00 111.75 1bjz n LEU 204 Ca -0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1bjz n LEU 204 Cb 0.54 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.76 1bjz n LEU 204 CO 0.46 0.00 1.34 0.18 -1.33 0.00 0.00 177.39 178.04 1bjz n LEU 205 N 0.00 7.14 -4.79 2.23 4.77 -1.26 -4.96 117.00 120.13 1bjz n LEU 205 Ca 0.00 -3.99 -0.22 0.00 -0.03 0.00 0.00 56.01 51.77 1bjz n LEU 205 Cb 0.00 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 1bjz n LEU 205 CO 0.00 1.30 -0.18 -1.10 -1.33 0.00 0.00 177.39 176.07 1bjz s GLN 206 N -3.58 2.77 -0.89 3.23 -0.21 -1.01 -5.02 119.66 114.95 1bjz s GLN 206 Ca 0.61 -1.17 -0.20 0.00 0.02 0.00 0.00 55.36 54.61 1bjz s GLN 206 Cb 0.49 -2.47 0.11 0.00 1.00 0.00 0.00 33.01 32.14 1bjz s GLN 206 CO 0.04 0.34 1.15 0.42 -2.12 0.00 0.00 175.29 175.12 1bjz s ILE 207 N -2.20 4.51 -2.68 1.08 -1.09 -1.26 -5.03 121.20 114.53 1bjz s ILE 207 Ca 0.34 -1.20 0.27 0.00 -2.23 0.00 0.00 60.65 57.83 1bjz s ILE 207 Cb -0.07 -4.81 0.42 0.00 -1.58 0.00 0.00 42.46 36.42 1bjz s ILE 207 CO 0.24 -1.57 1.57 0.55 -1.23 0.00 0.00 174.94 174.50