#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djb h LYS 3 N 0.00 0.08 -0.60 1.09 1.57 -2.01 -2.04 116.57 114.66 3djb h LYS 3 Ca 0.00 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3djb h LYS 3 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3djb h LYS 3 CO 0.00 0.05 0.41 0.37 -0.57 0.00 0.00 179.45 179.72 3djb h GLN 4 N 0.08 0.17 0.00 3.15 5.75 -2.03 1.23 115.11 123.46 3djb h GLN 4 Ca 0.05 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3djb h GLN 4 Cb 0.04 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3djb h GLN 4 CO -0.07 0.11 -0.06 0.93 -2.65 0.00 0.00 178.83 177.10 3djb h GLU 5 N 0.17 0.00 0.00 1.69 5.08 -1.80 -0.90 114.58 118.83 3djb h GLU 5 Ca 0.29 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 3djb h GLU 5 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3djb h GLU 5 CO -0.05 0.06 -0.55 0.87 -1.00 0.00 0.00 179.01 178.34 3djb h LYS 6 N 0.00 0.00 -0.26 2.33 1.57 0.15 -2.04 116.57 118.32 3djb h LYS 6 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3djb h LYS 6 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3djb h LYS 6 CO 0.01 0.73 0.34 0.97 -0.57 0.00 0.00 179.45 180.92 3djb h ILE 7 N -1.00 0.33 0.00 1.86 -0.00 -0.49 0.21 117.51 118.43 3djb h ILE 7 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.73 3djb h ILE 7 Cb 0.92 0.72 0.00 0.00 -0.00 0.00 0.00 36.82 38.46 3djb h ILE 7 CO -0.08 0.00 -0.00 -0.33 -0.00 0.00 0.00 178.15 177.74 3djb h GLU 8 N 0.00 -0.00 0.00 2.19 5.08 -1.17 -3.04 114.58 117.64 3djb h GLU 8 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3djb h GLU 8 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3djb h GLU 8 CO -0.00 0.89 -0.17 -0.22 -1.00 0.00 0.00 179.01 178.51 3djb h LYS 9 N -0.93 0.00 -0.08 2.33 1.63 -0.42 -1.24 116.57 117.87 3djb h LYS 9 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 3djb h LYS 9 Cb 0.90 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 3djb h LYS 9 CO 0.00 0.17 -0.60 0.00 -3.45 0.00 0.00 179.45 175.57 3djb h THR 10 N 0.00 1.38 0.00 1.00 1.03 -0.74 -0.33 112.91 115.25 3djb h THR 10 Ca -0.00 -1.97 -0.01 0.00 -0.01 0.00 0.00 66.41 64.42 3djb h THR 10 Cb 0.54 1.99 -0.00 0.00 -1.07 0.00 0.00 68.15 69.61 3djb h THR 10 CO 0.02 0.59 -0.04 0.40 -0.01 0.00 0.00 175.52 176.48 3djb h ILE 11 N 0.20 0.26 0.05 0.00 2.04 -1.10 0.16 117.51 119.13 3djb h ILE 11 Ca -0.01 -0.26 -0.31 0.00 1.00 0.00 0.00 64.86 65.28 3djb h ILE 11 Cb 1.12 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 3djb h ILE 11 CO 0.10 0.04 -1.75 0.74 0.00 0.00 0.00 178.15 177.27 3djb h THR 12 N 0.00 0.84 -0.81 -0.27 2.02 -1.19 -2.89 112.91 110.61 3djb h THR 12 Ca -0.00 -2.62 0.02 0.00 0.77 0.00 0.00 66.41 64.57 3djb h THR 12 Cb 0.20 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 69.06 3djb h THR 12 CO 0.00 0.67 0.53 0.15 0.37 0.00 0.00 175.52 177.24 3djb h PHE 13 N 0.03 1.00 0.10 3.16 3.04 0.98 -1.15 116.94 124.09 3djb h PHE 13 Ca -0.31 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.49 3djb h PHE 13 Cb 2.01 -0.33 0.02 0.00 2.56 0.00 0.00 35.95 40.21 3djb h PHE 13 CO 0.03 0.61 -0.72 0.28 -2.02 0.00 0.00 178.31 176.48 3djb h VAL 14 N 1.06 1.50 -0.71 1.41 2.07 -1.41 -2.73 116.25 117.43 3djb h VAL 14 Ca 0.31 -2.40 0.20 0.00 0.82 0.00 0.00 66.70 65.62 3djb h VAL 14 Cb -0.07 3.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 3djb h VAL 14 CO -0.08 0.68 0.51 0.11 0.02 0.00 0.00 177.57 178.81 3djb h LYS 15 N -0.33 0.04 0.00 1.57 1.79 -1.30 -2.31 116.57 116.04 3djb h LYS 15 Ca -0.12 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3djb h LYS 15 Cb 1.53 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.17 3djb h LYS 15 CO 0.14 0.03 -0.20 0.45 -1.08 0.00 0.00 179.45 178.79 3djb h HIS 16 N 0.04 0.00 -0.65 -1.35 3.86 -1.26 -3.35 115.15 112.44 3djb h HIS 16 Ca 0.34 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.74 3djb h HIS 16 Cb 1.30 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.75 3djb h HIS 16 CO -0.00 0.07 0.72 0.97 0.86 0.00 0.00 177.93 180.55 3djb h ILE 17 N -1.00 0.24 0.00 2.45 6.09 -1.32 1.96 117.51 125.93 3djb h ILE 17 Ca -0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3djb h ILE 17 Cb 0.24 0.43 0.00 0.00 0.47 0.00 0.00 36.82 37.95 3djb h ILE 17 CO -0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 3djb n LEU 18 N -3.56 0.00 -0.06 2.19 4.77 -0.88 -3.21 117.00 116.25 3djb n LEU 18 Ca 0.13 0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 3djb n LEU 18 Cb 0.95 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3djb n LEU 18 CO 0.26 -0.10 -1.03 1.21 -1.33 0.00 0.00 177.39 176.41 3djb n GLU 19 N -1.43 0.70 0.00 3.23 2.13 0.66 -2.49 120.64 123.45 3djb n GLU 19 Ca 0.07 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3djb n GLU 19 Cb 0.24 -1.63 0.01 0.00 0.27 0.00 0.00 31.44 30.33 3djb n GLU 19 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3djb n LYS 20 N -3.32 0.21 0.00 5.31 4.01 -1.17 -4.73 118.16 118.47 3djb n LYS 20 Ca -0.37 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.43 3djb n LYS 20 Cb 1.03 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.53 3djb n LYS 20 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3djb n ASP 21 N -0.53 0.00 0.00 4.39 4.64 -1.26 -5.10 116.55 118.70 3djb n ASP 21 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3djb n ASP 21 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3djb n ASP 21 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3djb n ALA 22 N -3.00 0.00 -3.64 -1.67 0.00 -1.26 -4.79 120.51 106.15 3djb n ALA 22 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3djb n ALA 22 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3djb n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3djb s SER 23 N 0.00 -0.34 0.00 0.00 0.15 -1.04 -4.98 113.70 107.49 3djb s SER 23 Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 3djb s SER 23 Cb 0.00 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 3djb s SER 23 CO 0.00 -0.11 0.39 0.61 1.20 0.00 0.00 173.24 175.33 3djb n GLY 24 N 2.32 0.96 0.01 9.45 0.00 -1.12 -2.33 105.19 114.49 3djb n GLY 24 Ca -0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3djb n GLY 24 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3djb n HIS 25 N 0.38 0.00 1.12 1.61 -0.00 -1.26 -4.12 115.22 112.96 3djb n HIS 25 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 3djb n HIS 25 Cb 0.19 -0.49 0.55 0.00 -0.00 0.00 0.00 29.99 30.25 3djb n HIS 25 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3djb n ASP 26 N -2.23 0.00 -0.04 0.26 8.00 -0.98 -3.13 116.55 118.42 3djb n ASP 26 Ca -0.05 -0.38 -0.13 0.00 0.71 0.00 0.00 54.79 54.94 3djb n ASP 26 Cb 0.56 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 3djb n ASP 26 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3djb h TRP 27 N 0.00 0.29 -0.25 1.24 2.91 -1.80 -2.83 115.95 115.52 3djb h TRP 27 Ca 0.00 -0.08 0.07 0.00 1.13 0.00 0.00 58.89 60.01 3djb h TRP 27 Cb 0.07 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 3djb h TRP 27 CO 0.00 0.63 0.43 1.88 -1.03 0.00 0.00 178.44 180.34 3djb h TYR 28 N -0.12 0.00 0.07 2.65 -1.99 -1.83 0.28 116.97 116.04 3djb h TYR 28 Ca 0.02 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.66 3djb h TYR 28 Cb 0.56 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.30 3djb h TYR 28 CO 0.08 0.00 -0.42 1.25 -0.00 0.00 0.00 178.16 179.06 3djb h HIS 29 N 0.00 0.29 -0.19 4.88 -0.00 -1.73 -2.79 115.15 115.61 3djb h HIS 29 Ca 0.12 -0.21 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3djb h HIS 29 Cb 0.97 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.32 3djb h HIS 29 CO 0.00 1.16 -0.14 0.82 -0.00 0.00 0.00 177.93 179.76 3djb h ILE 30 N -0.67 0.59 0.60 6.26 1.08 -0.31 -2.31 117.51 122.75 3djb h ILE 30 Ca -0.07 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3djb h ILE 30 Cb 1.33 0.59 0.01 0.00 -3.07 0.00 0.00 36.82 35.68 3djb h ILE 30 CO 0.08 0.00 -0.29 -0.09 -0.69 0.00 0.00 178.15 177.16 3djb h ARG 31 N -0.15 -0.77 -1.16 2.37 2.43 -1.05 -0.34 114.38 115.70 3djb h ARG 31 Ca 0.11 0.05 0.36 0.00 -0.81 0.00 0.00 59.98 59.70 3djb h ARG 31 Cb 0.32 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 29.92 3djb h ARG 31 CO -0.28 -0.51 0.73 -0.09 -1.51 0.00 0.00 179.97 178.31 3djb h ARG 32 N -0.81 0.21 -0.00 0.20 2.43 -1.33 0.59 114.38 115.65 3djb h ARG 32 Ca -0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 3djb h ARG 32 Cb 0.62 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3djb h ARG 32 CO 0.13 0.14 -0.29 0.28 -1.51 0.00 0.00 179.97 178.72 3djb h VAL 33 N 0.22 1.53 0.68 0.20 2.07 -1.04 -3.35 116.25 116.55 3djb h VAL 33 Ca 0.74 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3djb h VAL 33 Cb 2.08 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 34.56 3djb h VAL 33 CO -0.44 0.54 -0.47 -0.74 0.02 0.00 0.00 177.57 176.47 3djb h HIS 34 N -0.44 -1.27 0.00 1.57 -0.00 0.15 0.48 115.15 115.64 3djb h HIS 34 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 3djb h HIS 34 Cb 1.04 0.46 0.00 0.00 -0.00 0.00 0.00 27.41 28.91 3djb h HIS 34 CO 0.17 -0.69 0.00 1.63 -0.00 0.00 0.00 177.93 179.05 3djb n LYS 35 N -5.59 0.00 0.00 5.26 5.02 0.16 -1.39 118.16 121.62 3djb n LYS 35 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3djb n LYS 35 Cb 0.47 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3djb n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3djb n ALA 37 N 0.85 0.00 -0.49 7.82 0.00 0.17 -2.48 120.51 126.38 3djb n ALA 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3djb n ALA 37 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3djb n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3djb n ILE 38 N 0.00 0.00 -0.67 0.00 2.08 -0.48 -1.72 119.36 118.56 3djb n ILE 38 Ca 0.00 0.95 0.51 0.00 0.56 0.00 0.00 62.75 64.77 3djb n ILE 38 Cb 0.00 -1.80 0.79 0.00 -0.75 0.00 0.00 39.64 37.87 3djb n ILE 38 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3djb n SER 39 N -1.26 0.02 -0.02 4.38 7.64 -1.03 0.87 113.62 124.21 3djb n SER 39 Ca 0.00 1.01 -0.16 0.00 1.01 0.00 0.00 58.87 60.73 3djb n SER 39 Cb 0.00 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 3djb n SER 39 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3djb h LEU 40 N 0.00 0.40 -0.17 -3.43 5.85 -1.83 -3.33 115.31 112.80 3djb h LEU 40 Ca 0.91 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3djb h LEU 40 Cb 3.60 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 44.51 3djb h LEU 40 CO -0.06 1.05 0.08 0.77 -0.34 0.00 0.00 178.44 179.95 3djb h SER 41 N -0.23 0.23 0.00 1.25 4.64 0.13 -1.96 113.55 117.62 3djb h SER 41 Ca -0.04 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3djb h SER 41 Cb 1.08 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3djb h SER 41 CO 0.08 0.30 0.00 -1.84 -0.87 0.00 0.00 176.83 174.50 3djb n GLU 42 N -4.88 0.30 0.00 4.77 0.28 -0.74 0.12 120.64 120.49 3djb n GLU 42 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 3djb n GLU 42 Cb 0.10 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 31.64 3djb n GLU 42 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3djb n GLN 43 N 0.81 0.00 0.00 3.44 7.27 -0.94 -4.91 117.38 123.05 3djb n GLN 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3djb n GLN 43 Cb 0.14 -0.05 0.00 0.00 2.41 0.00 0.00 30.24 32.75 3djb n GLN 43 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3djb n GLU 44 N 0.00 1.47 0.00 3.69 -0.58 0.17 -4.85 120.64 120.54 3djb n GLU 44 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3djb n GLU 44 Cb 0.13 -0.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.82 3djb n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3djb n GLY 45 N 0.21 0.56 0.87 0.62 0.00 0.32 -5.01 105.19 102.76 3djb n GLY 45 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.46 3djb n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djb n GLY 46 N 0.00 -3.32 3.56 -0.02 0.00 -1.26 -4.54 105.19 99.61 3djb n GLY 46 Ca 0.00 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3djb n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3djb s ASN 47 N -5.06 5.35 0.00 1.61 3.84 -1.26 -4.93 114.94 114.50 3djb s ASN 47 Ca 0.00 0.56 0.00 0.00 0.21 0.00 0.00 52.86 53.63 3djb s ASN 47 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 3djb s ASN 47 CO 0.00 -2.27 0.89 0.54 -2.79 0.00 0.00 177.10 173.47 3djb n ARG 48 N 9.02 0.00 -0.29 0.43 5.12 -1.26 -1.07 116.66 128.61 3djb n ARG 48 Ca 0.22 0.81 0.06 0.00 -1.93 0.00 0.00 57.85 57.01 3djb n ARG 48 Cb 0.51 -1.39 0.14 0.00 -1.16 0.00 0.00 32.46 30.56 3djb n ARG 48 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3djb n PHE 49 N -2.41 0.33 0.27 -1.55 -0.00 -1.26 0.59 117.46 113.44 3djb n PHE 49 Ca 0.00 0.97 -0.16 0.00 -0.00 0.00 0.00 57.45 58.27 3djb n PHE 49 Cb 0.00 -0.99 -0.08 0.00 -0.00 0.00 0.00 39.48 38.41 3djb n PHE 49 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3djb h ILE 50 N 0.00 0.49 -0.56 -2.13 2.04 -1.78 -3.00 117.51 112.57 3djb h ILE 50 Ca 0.40 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 66.19 3djb h ILE 50 Cb 0.66 0.58 -0.11 0.00 -0.74 0.00 0.00 36.82 37.21 3djb h ILE 50 CO -0.81 0.03 -0.23 0.40 0.00 0.00 0.00 178.15 177.54 3djb h ILE 51 N -0.78 0.30 0.00 -0.67 2.04 0.18 0.18 117.51 118.77 3djb h ILE 51 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3djb h ILE 51 Cb 0.56 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3djb h ILE 51 CO 0.11 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.64 3djb n GLU 52 N -5.43 0.07 0.00 2.37 1.02 0.72 -0.84 120.64 118.56 3djb n GLU 52 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3djb n GLU 52 Cb 0.33 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3djb n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3djb n ALA 54 N 0.62 0.00 -0.21 0.62 0.00 0.65 -1.23 120.51 120.96 3djb n ALA 54 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 3djb n ALA 54 Cb 0.02 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.10 3djb n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3djb h ALA 55 N 0.00 2.56 0.00 0.00 0.00 -1.22 0.11 119.26 120.71 3djb h ALA 55 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3djb h ALA 55 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3djb h ALA 55 CO 0.00 -0.84 0.00 1.28 0.00 0.00 0.00 179.25 179.69 3djb n LEU 56 N -4.39 0.44 0.00 0.00 4.77 -0.37 -3.99 117.00 113.47 3djb n LEU 56 Ca 0.19 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 3djb n LEU 56 Cb 0.85 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3djb n LEU 56 CO 0.35 -0.18 0.25 0.18 -1.33 0.00 0.00 177.39 176.66 3djb n LEU 57 N -1.93 0.83 0.24 2.23 4.77 0.30 -4.75 117.00 118.70 3djb n LEU 57 Ca 0.05 -0.83 0.07 0.00 -0.03 0.00 0.00 56.01 55.27 3djb n LEU 57 Cb 0.35 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 42.02 3djb n LEU 57 CO 0.26 0.21 0.99 1.12 -1.33 0.00 0.00 177.39 178.64 3djb h HIS 58 N 0.00 0.00 0.00 -1.77 2.07 -1.51 -2.31 115.15 111.63 3djb h HIS 58 Ca 0.00 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.39 3djb h HIS 58 Cb 0.40 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.36 3djb h HIS 58 CO 0.00 0.09 -0.78 -0.44 -3.07 0.00 0.00 177.93 173.73 3djb h ASP 59 N 0.00 0.00 1.02 3.10 5.19 -1.85 -3.22 116.42 120.66 3djb h ASP 59 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3djb h ASP 59 Cb 0.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3djb h ASP 59 CO 0.01 0.58 0.00 0.52 -3.12 0.00 0.00 179.24 177.23 3djb n VAL 60 N -3.16 0.73 -0.06 -1.35 0.31 -0.87 -2.77 118.33 111.15 3djb n VAL 60 Ca -0.01 0.03 -0.02 0.00 -0.01 0.00 0.00 64.34 64.32 3djb n VAL 60 Cb 0.79 -0.93 -0.16 0.00 -0.91 0.00 0.00 33.84 32.62 3djb n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3djb n ALA 61 N -1.77 1.98 -0.99 3.52 0.00 -1.23 -4.73 120.51 117.30 3djb n ALA 61 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3djb n ALA 61 Cb 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3djb n ALA 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3djb n ASP 62 N -2.58 0.00 0.00 0.00 2.03 -1.11 -4.46 116.55 110.42 3djb n ASP 62 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 3djb n ASP 62 Cb 0.94 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 3djb n ASP 62 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djb n LEU 65 N 0.00 0.00 0.03 -2.67 -0.00 -1.26 -4.74 117.00 108.36 3djb n LEU 65 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 3djb n LEU 65 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 3djb n LEU 65 CO 0.00 0.00 0.10 -0.55 -0.00 0.00 0.00 177.39 176.94 3djb h ASN 66 N 0.00 0.43 0.00 1.45 -1.07 -1.85 -3.48 115.58 111.06 3djb h ASN 66 Ca 0.00 -0.94 0.00 0.00 0.07 0.00 0.00 56.30 55.43 3djb h ASN 66 Cb 0.00 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.11 3djb h ASN 66 CO 0.00 1.33 0.00 1.21 0.07 0.00 0.00 177.43 180.04 3djb n GLU 67 N -4.19 0.00 -3.26 4.14 4.07 -1.26 -5.01 120.64 115.13 3djb n GLU 67 Ca -0.13 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.93 3djb n GLU 67 Cb 0.77 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 32.11 3djb n GLU 67 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3djb s SER 68 N 2.00 -0.33 0.88 4.31 1.04 -1.26 -5.07 113.70 115.26 3djb s SER 68 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3djb s SER 68 Cb 0.00 1.47 0.00 0.00 0.10 0.00 0.00 66.02 67.59 3djb s SER 68 CO 0.00 -0.31 0.00 -1.84 0.98 0.00 0.00 173.24 172.07 3djb n GLU 69 N 5.38 0.00 -0.27 4.02 -0.00 -1.26 -2.78 120.64 125.74 3djb n GLU 69 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3djb n GLU 69 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 3djb n GLU 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3djb n GLU 70 N 11.53 0.59 0.09 3.44 0.00 -1.26 -3.60 120.64 131.43 3djb n GLU 70 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 3djb n GLU 70 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 31.44 30.22 3djb n GLU 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3djb n ALA 71 N 1.60 2.46 -1.12 4.31 0.00 -1.12 -4.43 120.51 122.22 3djb n ALA 71 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.99 3djb n ALA 71 Cb 0.30 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 3djb n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3djb n GLY 72 N 1.21 3.43 0.00 0.00 0.00 -1.24 -3.57 105.19 105.02 3djb n GLY 72 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3djb n GLY 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3djb n LYS 74 N 1.85 0.00 0.04 1.61 0.00 -1.26 -0.56 118.16 119.84 3djb n LYS 74 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.59 3djb n LYS 74 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.77 3djb n LYS 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 3djb h LYS 75 N 0.00 0.52 0.16 1.64 3.64 -1.93 -2.28 116.57 118.33 3djb h LYS 75 Ca 0.00 -0.47 -0.34 0.00 -1.27 0.00 0.00 60.65 58.57 3djb h LYS 75 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3djb h LYS 75 CO 0.00 1.10 -1.67 0.28 -2.27 0.00 0.00 179.45 176.89 3djb h VAL 76 N 0.34 1.02 0.05 2.00 2.07 -1.17 -3.31 116.25 117.24 3djb h VAL 76 Ca -0.06 -2.62 0.01 0.00 0.82 0.00 0.00 66.70 64.85 3djb h VAL 76 Cb 1.43 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 3djb h VAL 76 CO 0.15 0.84 -0.25 -1.28 0.02 0.00 0.00 177.57 177.05 3djb h SER 77 N 0.09 -0.76 0.11 0.57 0.87 -1.78 -1.37 113.55 111.29 3djb h SER 77 Ca -0.31 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3djb h SER 77 Cb 2.07 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 64.31 3djb h SER 77 CO 0.17 -0.26 0.00 -0.90 -0.53 0.00 0.00 176.83 175.31 3djb n ASP 78 N -3.88 0.00 -0.09 6.23 3.85 -0.86 -2.46 116.55 119.34 3djb n ASP 78 Ca -0.04 0.50 -0.18 0.00 -0.71 0.00 0.00 54.79 54.36 3djb n ASP 78 Cb 0.19 -0.50 -0.12 0.00 -1.35 0.00 0.00 41.12 39.34 3djb n ASP 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.20 175.94 3djb h TRP 79 N 0.00 0.00 -0.11 2.11 2.91 -1.39 -3.15 115.95 116.32 3djb h TRP 79 Ca 0.00 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.05 3djb h TRP 79 Cb 0.06 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.70 3djb h TRP 79 CO 0.00 1.24 0.29 -0.07 -1.03 0.00 0.00 178.44 178.87 3djb h LEU 80 N -1.00 0.00 0.01 0.65 3.38 -0.96 0.06 115.31 117.45 3djb h LEU 80 Ca -0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3djb h LEU 80 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3djb h LEU 80 CO -0.11 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.09 3djb h GLU 81 N 0.00 -0.01 -0.54 1.13 4.39 -1.62 -1.79 114.58 116.14 3djb h GLU 81 Ca 0.05 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.83 3djb h GLU 81 Cb 0.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 3djb h GLU 81 CO -0.00 0.67 0.36 1.49 -1.16 0.00 0.00 179.01 180.37 3djb h GLU 82 N -0.72 0.40 -0.02 2.33 4.81 -0.97 0.65 114.58 121.06 3djb h GLU 82 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3djb h GLU 82 Cb 0.69 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3djb h GLU 82 CO 0.00 0.27 0.00 1.28 -0.73 0.00 0.00 179.01 179.83 3djb n LEU 83 N -4.47 1.07 -2.59 1.64 7.99 -0.75 -5.00 117.00 114.89 3djb n LEU 83 Ca 0.08 -0.37 -0.03 0.00 -0.01 0.00 0.00 56.01 55.68 3djb n LEU 83 Cb 0.31 -0.01 -0.02 0.00 -0.11 0.00 0.00 43.42 43.59 3djb n LEU 83 CO 0.34 0.19 -0.41 1.41 -1.51 0.00 0.00 177.39 177.41 3djb n HIS 84 N -0.15 -3.07 -3.49 -1.77 8.25 0.23 -5.03 115.22 110.18 3djb n HIS 84 Ca 0.20 1.80 -0.20 0.00 -0.26 0.00 0.00 57.72 59.26 3djb n HIS 84 Cb 0.28 -2.93 -0.13 0.00 1.12 0.00 0.00 29.99 28.33 3djb n HIS 84 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3djb s VAL 85 N -0.43 -0.29 -0.10 1.59 1.01 -1.02 -4.97 120.40 116.20 3djb s VAL 85 Ca -0.13 -0.28 -0.34 0.00 0.00 0.00 0.00 61.98 61.23 3djb s VAL 85 Cb 0.01 -0.77 -0.17 0.00 0.00 0.00 0.00 36.38 35.45 3djb s VAL 85 CO 0.36 -0.33 0.99 -0.62 0.00 0.00 0.00 175.10 175.49 3djb n GLU 86 N 5.31 0.00 -0.07 2.72 1.02 -1.26 -4.25 120.64 124.10 3djb n GLU 86 Ca -0.05 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.35 3djb n GLU 86 Cb 0.48 -1.24 0.65 0.00 -0.02 0.00 0.00 31.44 31.31 3djb n GLU 86 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3djb h GLU 87 N 2.86 0.00 -0.23 3.49 4.81 -1.99 0.88 114.58 124.40 3djb h GLU 87 Ca -0.41 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3djb h GLU 87 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3djb h GLU 87 CO 0.60 0.00 0.18 1.49 -0.73 0.00 0.00 179.01 180.55 3djb h GLU 88 N 0.00 0.00 0.00 1.92 4.81 -2.00 -0.11 114.58 119.20 3djb h GLU 88 Ca 0.35 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.29 3djb h GLU 88 Cb 1.88 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.21 3djb h GLU 88 CO -0.00 0.00 -2.02 0.39 -0.73 0.00 0.00 179.01 176.64 3djb n GLU 89 N -4.30 0.42 -0.23 1.92 1.02 0.29 -4.55 120.64 115.21 3djb n GLU 89 Ca 0.03 0.14 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 3djb n GLU 89 Cb 0.33 -1.26 0.14 0.00 -0.02 0.00 0.00 31.44 30.63 3djb n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3djb h SER 90 N -0.34 0.30 -0.29 1.62 0.87 -1.15 0.38 113.55 114.94 3djb h SER 90 Ca -0.43 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.29 3djb h SER 90 Cb 1.51 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.51 3djb h SER 90 CO -0.18 0.16 0.33 0.50 -0.53 0.00 0.00 176.83 177.11 3djb h LYS 91 N 0.47 0.00 0.04 2.24 1.63 -1.24 -0.44 116.57 119.27 3djb h LYS 91 Ca 0.35 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.82 3djb h LYS 91 Cb 0.45 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 3djb h LYS 91 CO -0.33 0.00 -1.95 1.58 -3.45 0.00 0.00 179.45 175.31 3djb n HIS 92 N -3.73 0.91 0.10 1.91 -0.00 0.11 -3.46 115.22 111.06 3djb n HIS 92 Ca 0.04 0.26 -0.04 0.00 0.46 0.00 0.00 57.72 58.44 3djb n HIS 92 Cb 0.48 -1.14 -0.02 0.00 -0.12 0.00 0.00 29.99 29.18 3djb n HIS 92 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3djb h VAL 93 N 0.03 0.00 0.00 3.57 2.07 0.42 -2.85 116.25 119.49 3djb h VAL 93 Ca -0.39 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3djb h VAL 93 Cb 2.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3djb h VAL 93 CO 0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.65 3djb n LEU 94 N -3.07 0.00 0.00 2.57 -0.00 -0.31 -3.19 117.00 113.01 3djb n LEU 94 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 3djb n LEU 94 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 3djb n LEU 94 CO 0.08 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.04 3djb n HIS 95 N -0.71 0.00 0.07 1.47 -0.00 -1.08 -3.99 115.22 110.99 3djb n HIS 95 Ca 0.03 0.00 0.21 0.00 0.46 0.00 0.00 57.72 58.42 3djb n HIS 95 Cb 0.01 -0.41 0.72 0.00 -0.12 0.00 0.00 29.99 30.19 3djb n HIS 95 CO 0.00 0.00 0.00 -0.84 0.46 0.00 0.00 176.34 175.96 3djb h ILE 96 N 0.00 0.32 0.00 3.57 3.07 -1.50 0.73 117.51 123.69 3djb h ILE 96 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3djb h ILE 96 Cb 0.00 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 37.14 3djb h ILE 96 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 3djb n ILE 97 N -3.63 1.55 -0.08 0.16 3.06 -1.20 -0.47 119.36 118.74 3djb n ILE 97 Ca 0.08 0.39 -0.22 0.00 -2.50 0.00 0.00 62.75 60.50 3djb n ILE 97 Cb 0.70 -1.36 -0.12 0.00 0.54 0.00 0.00 39.64 39.39 3djb n ILE 97 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3djb n ALA 98 N -1.41 0.84 -1.03 1.51 0.00 0.25 -4.89 120.51 115.79 3djb n ALA 98 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3djb n ALA 98 Cb 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3djb n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3djb n ASN 99 N -4.16 0.00 -0.62 0.00 4.13 0.37 -5.15 115.26 109.84 3djb n ASN 99 Ca -0.34 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.92 3djb n ASN 99 Cb 0.80 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.04 3djb n ASN 99 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3djb n SER 112 N 0.00 -1.42 -0.27 6.41 2.88 -1.26 -5.02 113.62 114.94 3djb n SER 112 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3djb n SER 112 Cb 0.00 -0.71 0.07 0.00 -0.75 0.00 0.00 64.21 62.82 3djb n SER 112 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3djb h ILE 113 N 0.00 1.17 0.37 2.46 2.10 -2.01 0.37 117.51 121.96 3djb h ILE 113 Ca 0.00 -0.34 -0.00 0.00 1.08 0.00 0.00 64.86 65.60 3djb h ILE 113 Cb 0.00 0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 35.79 3djb h ILE 113 CO 0.00 0.18 -0.45 -0.33 -1.08 0.00 0.00 178.15 176.47 3djb h GLU 114 N 0.99 -0.82 0.40 2.19 3.07 -1.94 -0.10 114.58 118.38 3djb h GLU 114 Ca 0.28 0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.19 3djb h GLU 114 Cb -0.08 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3djb h GLU 114 CO -0.07 -0.55 -0.25 0.78 -1.40 0.00 0.00 179.01 177.52 3djb h GLY 115 N -0.85 -0.66 -0.92 -3.84 0.00 -1.91 -2.13 103.07 92.76 3djb h GLY 115 Ca -0.03 0.28 0.37 0.00 0.00 0.00 0.00 47.33 47.95 3djb h GLY 115 CO -0.11 -0.25 0.42 1.70 0.00 0.00 0.00 176.54 178.30 3djb h LYS 116 N -0.63 0.04 -0.11 4.80 3.64 -0.00 0.46 116.57 124.77 3djb h LYS 116 Ca -0.04 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 3djb h LYS 116 Cb 0.52 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3djb h LYS 116 CO 0.04 0.03 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.06 3djb h LEU 117 N 0.05 0.30 -0.70 5.20 3.38 -0.46 -2.04 115.31 121.05 3djb h LEU 117 Ca 0.77 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 58.37 3djb h LEU 117 Cb 1.92 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.51 3djb h LEU 117 CO -0.78 0.73 0.29 0.58 0.09 0.00 0.00 178.44 179.35 3djb h VAL 118 N -0.12 0.74 0.00 1.22 2.07 0.48 0.24 116.25 120.88 3djb h VAL 118 Ca 0.02 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3djb h VAL 118 Cb 0.65 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3djb h VAL 118 CO 0.03 0.09 -0.26 -0.61 0.02 0.00 0.00 177.57 176.84 3djb h GLN 119 N 0.47 0.00 0.00 1.57 4.15 -1.08 -0.63 115.11 119.60 3djb h GLN 119 Ca 0.36 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.70 3djb h GLN 119 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 3djb h GLN 119 CO -0.34 0.26 -0.42 -0.44 -1.93 0.00 0.00 178.83 175.96 3djb h ASP 120 N 0.00 0.00 1.07 -0.69 3.45 -0.02 -2.35 116.42 117.88 3djb h ASP 120 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3djb h ASP 120 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3djb h ASP 120 CO 0.03 0.42 -0.30 0.00 -1.57 0.00 0.00 179.24 177.82 3djb n ALA 121 N -2.22 2.68 -0.10 3.45 0.00 0.58 -2.84 120.51 122.05 3djb n ALA 121 Ca 0.02 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 3djb n ALA 121 Cb 0.65 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 3djb n ALA 121 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3djb n ASP 122 N -2.03 1.99 -0.05 0.00 2.03 -0.37 -4.17 116.55 113.95 3djb n ASP 122 Ca 0.05 0.12 -0.04 0.00 0.52 0.00 0.00 54.79 55.43 3djb n ASP 122 Cb 0.41 -0.67 0.17 0.00 -0.72 0.00 0.00 41.12 40.31 3djb n ASP 122 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3djb h ARG 123 N -0.35 0.66 -0.14 -0.67 2.43 -1.56 -2.21 114.38 112.53 3djb h ARG 123 Ca -0.55 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 58.44 3djb h ARG 123 Cb 1.79 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 3djb h ARG 123 CO -0.15 0.77 0.10 -0.07 -1.51 0.00 0.00 179.97 179.11 3djb h LEU 124 N 0.60 0.00 -3.89 3.80 3.38 -1.72 -2.84 115.31 114.63 3djb h LEU 124 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 3djb h LEU 124 Cb 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3djb h LEU 124 CO 0.04 0.00 -0.30 -0.67 0.09 0.00 0.00 178.44 177.60 3djb n ASP 125 N -4.41 5.02 0.00 -0.43 2.03 -0.83 -2.52 116.55 115.40 3djb n ASP 125 Ca 0.00 -2.42 0.00 0.00 0.52 0.00 0.00 54.79 52.89 3djb n ASP 125 Cb 0.23 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 3djb n ASP 125 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3djb n ALA 126 N 2.37 0.37 -2.66 -1.67 0.00 -1.07 -4.98 120.51 112.87 3djb n ALA 126 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 3djb n ALA 126 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 3djb n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3djb s LEU 127 N -0.48 4.07 0.00 0.00 1.43 -1.05 -4.01 118.68 118.64 3djb s LEU 127 Ca 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3djb s LEU 127 Cb 0.00 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.33 3djb s LEU 127 CO 0.00 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 176.88 3djb n GLY 128 N -1.62 -0.13 0.29 -3.19 0.00 -1.26 -4.21 105.19 95.08 3djb n GLY 128 Ca -0.04 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 3djb n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djb n ALA 129 N 0.27 -0.34 -0.27 4.61 0.00 -1.26 0.86 120.51 124.39 3djb n ALA 129 Ca 0.00 0.64 0.07 0.00 0.00 0.00 0.00 53.44 54.15 3djb n ALA 129 Cb 0.00 -0.17 0.20 0.00 0.00 0.00 0.00 19.45 19.48 3djb n ALA 129 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3djb h ILE 130 N 0.00 0.40 0.78 0.00 1.08 -1.94 0.41 117.51 118.24 3djb h ILE 130 Ca 0.16 -0.07 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3djb h ILE 130 Cb 0.34 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 3djb h ILE 130 CO -0.68 0.04 -0.48 1.23 -0.69 0.00 0.00 178.15 177.56 3djb h GLY 131 N 0.19 -1.32 -0.87 5.37 0.00 0.33 1.95 103.07 108.73 3djb h GLY 131 Ca 0.45 0.54 0.10 0.00 0.00 0.00 0.00 47.33 48.42 3djb h GLY 131 CO -0.61 -0.45 -0.52 -2.22 0.00 0.00 0.00 176.54 172.75 3djb h ILE 132 N -1.19 0.01 0.56 2.60 2.04 -0.41 0.42 117.51 121.55 3djb h ILE 132 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3djb h ILE 132 Cb 0.95 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3djb h ILE 132 CO 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.92 3djb h ALA 133 N 0.68 -0.85 -1.13 1.87 0.00 -0.45 -1.24 119.26 118.14 3djb h ALA 133 Ca 0.20 -0.17 0.36 0.00 0.00 0.00 0.00 54.91 55.30 3djb h ALA 133 Cb 0.50 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 3djb h ALA 133 CO -0.88 -0.99 0.69 -0.09 0.00 0.00 0.00 179.25 177.98 3djb h ARG 134 N -0.85 0.22 0.00 0.00 2.43 0.50 -0.31 114.38 116.38 3djb h ARG 134 Ca -0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3djb h ARG 134 Cb 0.68 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3djb h ARG 134 CO 0.08 0.15 0.00 2.41 -1.51 0.00 0.00 179.97 181.10 3djb n THR 135 N -4.85 0.00 -0.27 0.20 -1.04 0.13 -0.69 114.28 107.76 3djb n THR 135 Ca 0.33 1.18 0.27 0.00 -2.04 0.00 0.00 64.05 63.79 3djb n THR 135 Cb 1.15 -2.16 0.64 0.00 -1.82 0.00 0.00 70.33 68.14 3djb n THR 135 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3djb h PHE 136 N 0.00 0.27 0.69 -1.42 0.04 -1.08 0.51 116.94 115.95 3djb h PHE 136 Ca 0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3djb h PHE 136 Cb 0.00 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.08 3djb h PHE 136 CO 0.15 0.04 -0.33 0.00 -0.60 0.00 0.00 178.31 177.57 3djb h ALA 137 N 1.54 -0.93 -0.35 2.45 0.00 -1.02 0.45 119.26 121.39 3djb h ALA 137 Ca 0.52 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.26 3djb h ALA 137 Cb 1.74 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 3djb h ALA 137 CO -0.12 -0.97 0.24 -0.92 0.00 0.00 0.00 179.25 177.48 3djb h TYR 138 N -1.05 0.30 -0.22 0.00 3.20 0.92 -1.34 116.97 118.78 3djb h TYR 138 Ca -0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 3djb h TYR 138 Cb 0.74 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3djb h TYR 138 CO -0.01 0.17 0.05 0.78 -1.64 0.00 0.00 178.16 177.51 3djb h GLY 139 N 0.31 0.38 0.65 1.82 0.00 0.55 0.72 103.07 107.50 3djb h GLY 139 Ca 0.15 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3djb h GLY 139 CO -0.03 0.22 -0.01 -1.33 0.00 0.00 0.00 176.54 175.39 3djb h GLY 140 N 0.17 0.20 1.00 4.60 0.00 0.99 -0.57 103.07 109.46 3djb h GLY 140 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3djb h GLY 140 CO 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 176.54 176.26 3djb h ALA 141 N 1.19 -0.64 0.00 3.60 0.00 -1.29 -2.11 119.26 120.00 3djb h ALA 141 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3djb h ALA 141 Cb 0.13 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3djb h ALA 141 CO -0.18 -0.86 0.00 1.63 0.00 0.00 0.00 179.25 179.84 3djb n LYS 142 N -5.36 0.05 -2.29 0.00 4.01 0.24 -4.89 118.16 109.92 3djb n LYS 142 Ca -0.12 0.28 -0.01 0.00 -0.51 0.00 0.00 58.31 57.96 3djb n LYS 142 Cb 0.27 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.29 3djb n LYS 142 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3djb n GLY 143 N -0.91 -0.86 3.32 0.72 0.00 -0.26 -5.05 105.19 102.15 3djb n GLY 143 Ca 0.02 0.28 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3djb n GLY 143 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djb s ARG 144 N -2.68 1.09 0.00 1.61 0.52 -0.94 -5.04 118.95 113.51 3djb s ARG 144 Ca 0.04 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 3djb s ARG 144 Cb -0.01 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.85 3djb s ARG 144 CO 0.40 -0.40 0.00 1.28 0.02 0.00 0.00 175.30 176.60 3djb n LEU 145 N -0.19 0.00 -4.69 2.53 4.77 -1.26 -4.59 117.00 113.57 3djb n LEU 145 Ca -0.10 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 3djb n LEU 145 Cb 0.63 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.83 3djb n LEU 145 CO 0.23 0.00 0.76 0.00 -1.33 0.00 0.00 177.39 177.05 3djb n TYR 147 N 0.00 1.31 -3.39 -1.77 -0.00 -1.26 -2.14 117.16 109.91 3djb n TYR 147 Ca 0.00 0.41 0.02 0.00 -0.00 0.00 0.00 57.90 58.32 3djb n TYR 147 Cb 0.00 -2.13 -0.02 0.00 -0.00 0.00 0.00 39.34 37.19 3djb n TYR 147 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3djb s ASP 148 N -1.95 -1.27 0.00 2.98 -1.08 -1.26 -5.03 116.67 109.06 3djb s ASP 148 Ca 0.75 1.20 0.11 0.00 -0.52 0.00 0.00 52.55 54.10 3djb s ASP 148 Cb -0.31 2.23 0.55 0.00 -1.46 0.00 0.00 42.92 43.93 3djb s ASP 148 CO 0.49 -0.24 1.29 -0.81 0.52 0.00 0.00 175.17 176.42 3djb n PRO 149 N 5.44 0.12 0.06 4.34 -0.04 -1.26 -1.74 135.00 141.91 3djb n PRO 149 Ca -0.06 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 3djb n PRO 149 Cb 0.50 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.62 3djb n PRO 149 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3djb h THR 150 N 0.00 0.00 -3.02 0.52 2.02 -2.08 -3.40 112.91 106.95 3djb h THR 150 Ca 0.00 -0.51 -0.62 0.00 0.77 0.00 0.00 66.41 66.05 3djb h THR 150 Cb 0.13 1.07 -0.41 0.00 -1.74 0.00 0.00 68.15 67.20 3djb h THR 150 CO 0.00 0.00 -0.68 -0.63 0.37 0.00 0.00 175.52 174.58 3djb s ILE 151 N -3.18 2.13 0.96 3.11 -1.09 -0.71 -5.12 121.20 117.30 3djb s ILE 151 Ca 0.06 -3.47 -0.12 0.00 -2.23 0.00 0.00 60.65 54.89 3djb s ILE 151 Cb 0.13 -2.44 0.16 0.00 -1.58 0.00 0.00 42.46 38.74 3djb s ILE 151 CO 0.73 -0.97 1.09 -2.16 -1.23 0.00 0.00 174.94 172.39 3djb s PRO 152 N -0.61 0.76 0.91 2.79 0.04 -1.26 -4.74 135.00 132.89 3djb s PRO 152 Ca 0.23 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.93 3djb s PRO 152 Cb -0.12 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.80 3djb s PRO 152 CO -0.10 -2.57 1.11 -1.25 0.04 0.00 0.00 177.00 174.23 3djb s PRO 153 N -4.88 1.12 0.08 0.56 0.04 -1.26 -5.06 135.00 125.60 3djb s PRO 153 Ca 0.65 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3djb s PRO 153 Cb -0.19 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3djb s PRO 153 CO 0.58 -2.47 0.00 -2.13 0.04 0.00 0.00 177.00 173.02 3djb n ARG 154 N -4.10 0.00 -3.53 4.56 0.00 -1.26 -5.09 116.66 107.24 3djb n ARG 154 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.67 3djb n ARG 154 Cb 0.53 -0.07 -0.11 0.00 0.00 0.00 0.00 32.46 32.81 3djb n ARG 154 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 3djb s ASP 167 N -4.74 2.42 0.59 6.15 3.84 -1.26 -4.91 116.67 118.74 3djb s ASP 167 Ca 0.00 -3.12 -0.09 0.00 -0.00 0.00 0.00 52.55 49.35 3djb s ASP 167 Cb 0.00 -0.72 -0.03 0.00 -1.38 0.00 0.00 42.92 40.79 3djb s ASP 167 CO 0.00 -0.17 0.95 -2.16 -0.00 0.00 0.00 175.17 173.79 3djb s PRO 168 N -0.14 3.42 0.29 2.11 0.04 -1.26 -4.75 135.00 134.71 3djb s PRO 168 Ca 0.29 0.47 -0.00 0.00 0.04 0.00 0.00 61.00 61.80 3djb s PRO 168 Cb -0.02 -2.18 0.44 0.00 0.04 0.00 0.00 34.50 32.78 3djb s PRO 168 CO -0.16 -0.53 1.85 0.77 0.04 0.00 0.00 177.00 178.97 3djb h SER 169 N -0.19 0.75 -0.16 6.66 0.02 -1.77 -2.91 113.55 115.95 3djb h SER 169 Ca -0.45 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.33 3djb h SER 169 Cb 1.21 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 3djb h SER 169 CO 0.62 0.72 -0.05 0.25 -1.14 0.00 0.00 176.83 177.23 3djb h LEU 170 N 0.78 0.42 -0.80 5.07 5.85 -1.95 -2.79 115.31 121.90 3djb h LEU 170 Ca 0.18 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3djb h LEU 170 Cb 0.25 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3djb h LEU 170 CO -0.01 0.53 0.26 0.78 -0.34 0.00 0.00 178.44 179.65 3djb h ASN 171 N 0.43 1.07 -1.42 1.25 -0.26 -1.88 -2.56 115.58 112.21 3djb h ASN 171 Ca 0.09 -0.19 0.41 0.00 -0.56 0.00 0.00 56.30 56.05 3djb h ASN 171 Cb 0.36 -0.28 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 3djb h ASN 171 CO 0.02 0.98 1.06 -0.74 -1.06 0.00 0.00 177.43 177.69 3djb h HIS 172 N 1.11 0.00 0.71 1.19 2.76 -1.54 -0.21 115.15 119.18 3djb h HIS 172 Ca 0.25 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3djb h HIS 172 Cb 0.28 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.24 3djb h HIS 172 CO 0.02 0.00 -0.36 0.74 -1.30 0.00 0.00 177.93 177.03 3djb h PHE 173 N 0.00 -0.94 -0.90 5.26 -1.00 -1.60 -1.86 116.94 115.90 3djb h PHE 173 Ca 0.68 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.43 3djb h PHE 173 Cb 2.79 0.32 -0.04 0.00 3.61 0.00 0.00 35.95 42.62 3djb h PHE 173 CO 0.00 -0.57 0.54 1.88 -1.61 0.00 0.00 178.31 178.55 3djb h TYR 174 N -0.98 1.18 -0.02 -0.55 0.05 -1.38 -0.81 116.97 114.47 3djb h TYR 174 Ca -0.10 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3djb h TYR 174 Cb 0.76 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 3djb h TYR 174 CO 0.03 0.79 -0.03 1.49 -1.05 0.00 0.00 178.16 179.39 3djb h GLU 175 N 1.24 -0.02 -0.66 4.88 4.57 -0.88 -3.39 114.58 120.32 3djb h GLU 175 Ca 0.32 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.20 3djb h GLU 175 Cb -0.05 0.00 -0.34 0.00 -0.16 0.00 0.00 28.75 28.20 3djb h GLU 175 CO -0.06 -0.01 -0.98 1.63 -1.18 0.00 0.00 179.01 178.41 3djb n LYS 176 N -2.83 1.26 0.03 1.92 5.02 -0.72 -4.93 118.16 117.91 3djb n LYS 176 Ca -0.00 -2.92 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 3djb n LYS 176 Cb 0.02 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3djb n LYS 176 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3djb n LEU 177 N -0.33 -0.02 0.32 -0.35 4.77 -0.42 -4.83 117.00 116.13 3djb n LEU 177 Ca 0.05 0.10 0.21 0.00 -0.03 0.00 0.00 56.01 56.34 3djb n LEU 177 Cb 0.83 0.08 1.06 0.00 -2.33 0.00 0.00 43.42 43.06 3djb n LEU 177 CO 0.15 -0.53 1.13 -0.07 -1.33 0.00 0.00 177.39 176.73 3djb h LEU 178 N 0.00 0.00 -3.03 2.23 3.38 -1.50 -1.59 115.31 114.79 3djb h LEU 178 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3djb h LEU 178 Cb 0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 3djb h LEU 178 CO 0.00 0.01 0.18 2.29 0.09 0.00 0.00 178.44 181.01 3djb n LYS 179 N -3.15 2.98 -0.00 1.13 2.85 -1.26 -4.09 118.16 116.62 3djb n LYS 179 Ca -0.02 -2.15 0.06 0.00 -1.05 0.00 0.00 58.31 55.14 3djb n LYS 179 Cb 0.13 -1.95 -0.13 0.00 -0.65 0.00 0.00 35.03 32.43 3djb n LYS 179 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3djb n LEU 180 N 0.00 0.24 0.00 -5.58 4.77 -0.60 -4.10 117.00 111.73 3djb n LEU 180 Ca 0.28 0.10 0.10 0.00 -0.03 0.00 0.00 56.01 56.46 3djb n LEU 180 Cb 1.08 0.09 0.56 0.00 -2.33 0.00 0.00 43.42 42.81 3djb n LEU 180 CO 0.31 0.08 0.83 2.29 -1.33 0.00 0.00 177.39 179.56 3djb n LYS 181 N -2.49 0.40 0.00 3.23 -0.00 -1.26 -2.34 118.16 115.70 3djb n LYS 181 Ca -0.09 0.07 0.11 0.00 -0.00 0.00 0.00 58.31 58.39 3djb n LYS 181 Cb 0.71 -1.50 -0.00 0.00 -0.00 0.00 0.00 35.03 34.24 3djb n LYS 181 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3djb n ASP 182 N -1.21 1.52 -4.25 -5.58 8.00 -1.26 -4.90 116.55 108.88 3djb n ASP 182 Ca 0.12 -1.23 -0.43 0.00 0.71 0.00 0.00 54.79 53.96 3djb n ASP 182 Cb 0.14 0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 41.82 3djb n ASP 182 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3djb s LEU 183 N -2.69 6.19 0.00 0.64 2.01 -0.99 -5.20 118.68 118.64 3djb s LEU 183 Ca 0.15 -2.93 0.00 0.00 0.01 0.00 0.00 54.13 51.35 3djb s LEU 183 Cb 0.17 -2.08 0.00 0.00 0.01 0.00 0.00 46.19 44.29 3djb s LEU 183 CO 0.68 -0.45 0.00 0.59 1.01 0.00 0.00 176.35 178.18 3djb n ASN 185 N 3.54 0.00 -4.50 2.29 3.02 -1.26 -5.01 115.26 113.34 3djb n ASN 185 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 3djb n ASN 185 Cb 0.43 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.81 3djb n ASN 185 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3djb s THR 186 N -0.33 1.94 -0.01 3.41 -4.23 -1.26 -4.86 115.64 110.29 3djb s THR 186 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 3djb s THR 186 Cb 0.00 -2.35 -0.13 0.00 1.34 0.00 0.00 72.50 71.35 3djb s THR 186 CO 0.00 0.00 0.95 0.78 -0.54 0.00 0.00 174.62 175.81 3djb h ASN 187 N -2.27 -0.48 -0.93 3.99 -0.26 -1.98 -2.28 115.58 111.37 3djb h ASN 187 Ca -0.56 -0.09 0.25 0.00 -0.56 0.00 0.00 56.30 55.34 3djb h ASN 187 Cb 1.33 0.12 -0.14 0.00 -1.06 0.00 0.00 38.32 38.58 3djb h ASN 187 CO 0.53 -0.06 0.40 0.00 -1.06 0.00 0.00 177.43 177.24 3djb h ALA 188 N -0.79 1.54 -0.14 -0.83 0.00 -1.91 0.58 119.26 117.72 3djb h ALA 188 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3djb h ALA 188 Cb 0.54 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3djb h ALA 188 CO 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 179.25 178.92 3djb h ALA 189 N 1.78 0.18 -0.68 0.00 0.00 -1.93 -1.37 119.26 117.24 3djb h ALA 189 Ca 0.61 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.39 3djb h ALA 189 Cb 1.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3djb h ALA 189 CO -0.59 -0.16 0.43 0.87 0.00 0.00 0.00 179.25 179.80 3djb h LYS 190 N 0.01 0.84 0.27 0.00 1.57 0.19 0.34 116.57 119.79 3djb h LYS 190 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3djb h LYS 190 Cb 0.29 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3djb h LYS 190 CO 0.00 0.55 -0.19 0.37 -0.57 0.00 0.00 179.45 179.62 3djb h GLN 191 N 0.86 -0.42 -0.80 3.15 5.75 0.17 -1.12 115.11 122.70 3djb h GLN 191 Ca 0.27 0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.98 3djb h GLN 191 Cb -0.02 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 28.48 3djb h GLN 191 CO -0.09 -0.28 -0.03 1.49 -2.65 0.00 0.00 178.83 177.27 3djb h GLU 192 N -0.43 0.07 -0.87 1.69 4.57 -1.19 -0.04 114.58 118.38 3djb h GLU 192 Ca -0.04 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.28 3djb h GLU 192 Cb 0.35 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.84 3djb h GLU 192 CO 0.02 0.05 0.47 0.00 -1.18 0.00 0.00 179.01 178.37 3djb h ALA 193 N 1.77 1.30 -0.62 2.92 0.00 -0.57 0.27 119.26 124.34 3djb h ALA 193 Ca 0.44 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 3djb h ALA 193 Cb 0.78 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3djb h ALA 193 CO -0.74 -0.02 0.20 0.93 0.00 0.00 0.00 179.25 179.62 3djb h GLU 194 N 0.70 0.95 -0.28 0.00 4.39 0.28 0.64 114.58 121.26 3djb h GLU 194 Ca 0.46 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.91 3djb h GLU 194 Cb 0.59 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3djb h GLU 194 CO -0.33 0.84 -0.03 0.28 -1.16 0.00 0.00 179.01 178.61 3djb h VAL 195 N 0.88 1.27 -0.16 3.13 2.07 -0.57 -0.21 116.25 122.65 3djb h VAL 195 Ca 0.20 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3djb h VAL 195 Cb 0.28 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3djb h VAL 195 CO -0.01 0.32 0.07 0.03 0.02 0.00 0.00 177.57 178.00 3djb h ARG 196 N 0.29 0.24 -0.50 1.57 3.08 -0.31 -2.80 114.38 115.96 3djb h ARG 196 Ca 0.08 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3djb h ARG 196 Cb 0.48 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 3djb h ARG 196 CO 0.02 0.32 0.27 1.25 -1.07 0.00 0.00 179.97 180.76 3djb h HIS 197 N 0.11 0.50 -0.62 3.04 2.76 0.35 -2.38 115.15 118.91 3djb h HIS 197 Ca 0.05 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 3djb h HIS 197 Cb 0.17 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 28.90 3djb h HIS 197 CO -0.01 0.27 0.24 -0.09 -1.30 0.00 0.00 177.93 177.04 3djb h ARG 198 N 0.54 0.42 -1.69 5.26 2.43 -0.93 -2.29 114.38 118.13 3djb h ARG 198 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3djb h ARG 198 Cb 0.08 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3djb h ARG 198 CO -0.12 0.28 0.00 0.98 -1.51 0.00 0.00 179.97 179.59 3djb n TYR 199 N -4.98 0.00 0.00 2.20 4.19 -0.90 -1.20 117.16 116.47 3djb n TYR 199 Ca 0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.30 3djb n TYR 199 Cb 0.27 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.02 3djb n TYR 199 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3djb n GLU 201 N 0.91 0.00 -0.19 2.98 1.02 -0.86 -0.24 120.64 124.26 3djb n GLU 201 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 3djb n GLU 201 Cb 0.00 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 31.75 3djb n GLU 201 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3djb h GLN 202 N 0.00 0.78 0.96 3.49 4.20 -1.45 -1.56 115.11 121.54 3djb h GLN 202 Ca 0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3djb h GLN 202 Cb 0.00 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.61 3djb h GLN 202 CO 0.00 0.52 -0.46 0.35 -0.67 0.00 0.00 178.83 178.56 3djb h PHE 203 N 0.81 -1.20 0.00 2.96 3.04 -0.86 0.76 116.94 122.45 3djb h PHE 203 Ca 0.31 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3djb h PHE 203 Cb 0.20 0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.10 3djb h PHE 203 CO -0.00 -0.75 0.07 -0.89 -2.02 0.00 0.00 178.31 174.73 3djb n ILE 204 N -5.64 1.21 0.04 1.41 5.41 -1.02 0.11 119.36 120.87 3djb n ILE 204 Ca -0.16 0.66 -0.16 0.00 1.00 0.00 0.00 62.75 64.08 3djb n ILE 204 Cb 0.51 -1.66 -0.14 0.00 -0.71 0.00 0.00 39.64 37.64 3djb n ILE 204 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3djb h GLU 205 N 0.00 0.21 0.00 0.38 4.81 -0.26 -3.31 114.58 116.41 3djb h GLU 205 Ca 0.00 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.64 3djb h GLU 205 Cb 0.15 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3djb h GLU 205 CO 0.00 1.04 -1.16 0.37 -0.73 0.00 0.00 179.01 178.53 3djb h GLN 206 N 0.06 0.00 -0.32 1.92 5.75 0.23 -3.17 115.11 119.58 3djb h GLN 206 Ca -0.28 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 3djb h GLN 206 Cb 2.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.57 3djb h GLN 206 CO 0.14 0.83 0.00 0.34 -2.65 0.00 0.00 178.83 177.49 3djb n PHE 207 N -3.26 0.00 0.00 3.99 -0.00 0.29 -2.83 117.46 115.66 3djb n PHE 207 Ca -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3djb n PHE 207 Cb 0.95 -0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.40 3djb n PHE 207 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 3djb n LYS 209 N 0.35 0.00 -0.19 -4.13 2.85 -1.20 -1.61 118.16 114.24 3djb n LYS 209 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3djb n LYS 209 Cb 0.08 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.48 3djb n LYS 209 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3djb h GLU 210 N 0.00 1.04 -0.34 -1.58 5.08 -1.82 0.19 114.58 117.13 3djb h GLU 210 Ca 0.00 -0.38 0.10 0.00 -1.00 0.00 0.00 59.36 58.08 3djb h GLU 210 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3djb h GLU 210 CO 0.00 1.07 0.29 2.35 -1.00 0.00 0.00 179.01 181.72 3djb h TRP 211 N 0.92 0.00 -0.29 4.33 2.91 -1.59 0.29 115.95 122.52 3djb h TRP 211 Ca 0.15 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 60.08 3djb h TRP 211 Cb 0.66 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.26 3djb h TRP 211 CO 0.04 0.00 -0.02 0.09 -1.03 0.00 0.00 178.44 177.52 3djb n ASN 212 N -4.12 3.18 -3.57 2.65 3.02 -0.96 -5.01 115.26 110.45 3djb n ASN 212 Ca 0.05 -3.35 -0.29 0.00 -0.03 0.00 0.00 54.58 50.96 3djb n ASN 212 Cb 0.46 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3djb n ASN 212 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3djb n ALA 213 N -0.85 -2.57 1.20 5.41 0.00 0.10 -5.03 120.51 118.78 3djb n ALA 213 Ca 0.27 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.94 3djb n ALA 213 Cb 0.95 -1.64 0.27 0.00 0.00 0.00 0.00 19.45 19.03 3djb n ALA 213 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44