#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 0.05 -0.59 1.09 1.57 -2.01 -1.91 116.57 114.77 3djb h LYS 3 Ca 0.00 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 3djb h LYS 3 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3djb h LYS 3 CO 0.00 0.03 0.41 0.37 -0.57 0.00 0.00 179.45 179.69 3djb h GLN 4 N 0.05 0.13 0.00 3.15 5.75 -2.03 1.24 115.11 123.40 3djb h GLN 4 Ca 0.06 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3djb h GLN 4 Cb 0.06 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3djb h GLN 4 CO -0.09 0.09 -0.04 0.93 -2.65 0.00 0.00 178.83 177.06 3djb h GLU 5 N 0.13 0.00 0.00 1.69 5.08 -1.78 -0.99 114.58 118.71 3djb h GLU 5 Ca 0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3djb h GLU 5 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3djb h GLU 5 CO -0.04 0.04 -0.56 0.87 -1.00 0.00 0.00 179.01 178.33 3djb h LYS 6 N 0.00 0.00 -0.27 2.33 1.57 0.16 -2.10 116.57 118.26 3djb h LYS 6 Ca -0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 3djb h LYS 6 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3djb h LYS 6 CO 0.01 0.68 0.36 0.97 -0.57 0.00 0.00 179.45 180.89 3djb h ILE 7 N -1.00 0.31 0.02 1.86 -0.00 -0.45 0.24 117.51 118.48 3djb h ILE 7 Ca -0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.70 3djb h ILE 7 Cb 0.88 0.70 0.00 0.00 -0.00 0.00 0.00 36.82 38.40 3djb h ILE 7 CO -0.08 0.00 -0.13 -0.33 -0.00 0.00 0.00 178.15 177.61 3djb h GLU 8 N 0.00 0.06 0.00 2.19 5.08 -1.20 -3.04 114.58 117.67 3djb h GLU 8 Ca 0.13 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3djb h GLU 8 Cb 0.85 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3djb h GLU 8 CO -0.00 0.99 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.60 3djb h LYS 9 N -0.84 0.00 -0.09 2.33 1.63 -0.41 -1.49 116.57 117.70 3djb h LYS 9 Ca -0.02 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.62 3djb h LYS 9 Cb 1.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 3djb h LYS 9 CO 0.02 0.18 -0.62 0.00 -3.45 0.00 0.00 179.45 175.58 3djb h THR 10 N 0.00 1.38 0.00 1.00 1.03 -0.70 -0.43 112.91 115.18 3djb h THR 10 Ca -0.00 -1.99 -0.01 0.00 -0.01 0.00 0.00 66.41 64.40 3djb h THR 10 Cb 0.60 1.99 -0.00 0.00 -1.07 0.00 0.00 68.15 69.67 3djb h THR 10 CO 0.02 0.59 -0.03 0.40 -0.01 0.00 0.00 175.52 176.50 3djb h ILE 11 N 0.23 0.21 0.05 0.00 2.04 -1.14 0.18 117.51 119.06 3djb h ILE 11 Ca -0.01 -0.23 -0.31 0.00 1.00 0.00 0.00 64.86 65.31 3djb h ILE 11 Cb 1.14 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 3djb h ILE 11 CO 0.10 0.03 -1.77 0.74 0.00 0.00 0.00 178.15 177.25 3djb h THR 12 N 0.00 0.82 -0.81 -0.27 2.02 -1.21 -2.90 112.91 110.55 3djb h THR 12 Ca -0.00 -2.61 0.01 0.00 0.77 0.00 0.00 66.41 64.58 3djb h THR 12 Cb 0.18 2.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 3djb h THR 12 CO 0.00 0.64 0.54 0.15 0.37 0.00 0.00 175.52 177.23 3djb h PHE 13 N 0.03 1.02 0.08 3.16 3.04 0.95 -1.14 116.94 124.07 3djb h PHE 13 Ca -0.32 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.50 3djb h PHE 13 Cb 2.02 -0.35 0.02 0.00 2.56 0.00 0.00 35.95 40.20 3djb h PHE 13 CO 0.03 0.64 -0.67 0.28 -2.02 0.00 0.00 178.31 176.57 3djb h VAL 14 N 1.10 1.51 -0.72 1.41 2.07 -1.40 -2.75 116.25 117.46 3djb h VAL 14 Ca 0.30 -2.35 0.20 0.00 0.82 0.00 0.00 66.70 65.67 3djb h VAL 14 Cb -0.12 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3djb h VAL 14 CO -0.07 0.67 0.51 0.11 0.02 0.00 0.00 177.57 178.81 3djb h LYS 15 N -0.33 0.05 0.00 1.57 1.79 -1.31 -2.29 116.57 116.04 3djb h LYS 15 Ca -0.11 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3djb h LYS 15 Cb 1.47 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 32.11 3djb h LYS 15 CO 0.13 0.03 -0.18 0.45 -1.08 0.00 0.00 179.45 178.80 3djb h HIS 16 N 0.05 0.00 -0.67 -1.35 3.86 -1.26 -3.35 115.15 112.43 3djb h HIS 16 Ca 0.34 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.75 3djb h HIS 16 Cb 1.31 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.75 3djb h HIS 16 CO -0.00 0.03 0.74 0.97 0.86 0.00 0.00 177.93 180.53 3djb h ILE 17 N -1.00 0.23 0.00 2.45 6.09 -1.33 1.99 117.51 125.94 3djb h ILE 17 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3djb h ILE 17 Cb 0.20 0.41 0.00 0.00 0.47 0.00 0.00 36.82 37.90 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 -3.55 0.00 -0.05 2.19 4.77 -0.88 -3.21 117.00 116.27 3djb n LEU 18 Ca 0.14 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.36 3djb n LEU 18 Cb 0.97 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 3djb n LEU 18 CO 0.26 -0.09 -1.02 1.21 -1.33 0.00 0.00 177.39 176.42 3djb n GLU 19 N -1.42 0.71 0.00 3.23 2.13 0.67 -2.49 120.64 123.47 3djb n GLU 19 Ca 0.07 0.21 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 -3.33 0.20 0.00 5.31 4.01 -1.17 -4.73 118.16 118.46 3djb n LYS 20 Ca -0.36 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.44 3djb n LYS 20 Cb 1.03 -1.03 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 -5.10 116.55 118.69 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 -4.78 120.51 106.15 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 -0.35 0.00 0.00 0.15 -1.04 -4.98 113.70 107.48 3djb s SER 23 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 3djb s SER 23 Cb 0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 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 2.30 0.97 0.02 9.45 0.00 -1.11 -2.35 105.19 114.47 3djb n GLY 24 Ca -0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.37 0.00 1.07 1.61 -0.00 -1.26 -4.12 115.22 112.89 3djb n HIS 25 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 3djb n HIS 25 Cb 0.19 -0.53 0.53 0.00 -0.00 0.00 0.00 29.99 30.19 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 -2.27 0.00 -0.04 0.26 8.00 -0.99 -3.12 116.55 118.38 3djb n ASP 26 Ca -0.07 -0.36 -0.13 0.00 0.71 0.00 0.00 54.79 54.94 3djb n ASP 26 Cb 0.60 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.23 -0.27 1.24 2.91 -1.80 -2.81 115.95 115.46 3djb h TRP 27 Ca 0.00 -0.06 0.08 0.00 1.13 0.00 0.00 58.89 60.03 3djb h TRP 27 Cb 0.06 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 3djb h TRP 27 CO 0.00 0.59 0.45 1.88 -1.03 0.00 0.00 178.44 180.33 3djb h TYR 28 N -0.19 0.00 0.08 2.65 -1.99 -1.83 0.28 116.97 115.97 3djb h TYR 28 Ca 0.02 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.64 3djb h TYR 28 Cb 0.53 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.27 3djb h TYR 28 CO 0.08 0.00 -0.46 1.25 -0.00 0.00 0.00 178.16 179.02 3djb h HIS 29 N 0.00 0.29 -0.17 4.88 -0.00 -1.73 -2.78 115.15 115.64 3djb h HIS 29 Ca 0.13 -0.21 0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3djb h HIS 29 Cb 1.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 28.38 3djb h HIS 29 CO 0.00 1.18 -0.16 0.82 -0.00 0.00 0.00 177.93 179.77 3djb h ILE 30 N -0.66 0.56 0.61 6.26 1.08 -0.31 -2.36 117.51 122.69 3djb h ILE 30 Ca -0.08 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.36 3djb h ILE 30 Cb 1.35 0.56 0.01 0.00 -3.07 0.00 0.00 36.82 35.67 3djb h ILE 30 CO 0.08 0.00 -0.29 -0.09 -0.69 0.00 0.00 178.15 177.15 3djb h ARG 31 N -0.18 -0.79 -1.13 2.37 2.43 -1.06 -0.24 114.38 115.78 3djb h ARG 31 Ca 0.11 0.05 0.37 0.00 -0.81 0.00 0.00 59.98 59.70 3djb h ARG 31 Cb 0.35 0.18 -0.13 0.00 -0.42 0.00 0.00 29.97 29.94 3djb h ARG 31 CO -0.28 -0.53 0.69 -0.09 -1.51 0.00 0.00 179.97 178.26 3djb h ARG 32 N -0.82 0.21 -0.00 0.20 2.43 -1.35 0.64 114.38 115.68 3djb h ARG 32 Ca -0.08 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 3djb h ARG 32 Cb 0.63 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3djb h ARG 32 CO 0.13 0.14 -0.33 0.28 -1.51 0.00 0.00 179.97 178.68 3djb h VAL 33 N 0.21 1.51 0.71 0.20 2.07 -1.04 -3.35 116.25 116.57 3djb h VAL 33 Ca 0.76 -1.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 3djb h VAL 33 Cb 2.05 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 34.52 3djb h VAL 33 CO -0.49 0.55 -0.48 -0.74 0.02 0.00 0.00 177.57 176.42 3djb h HIS 34 N -0.40 -1.30 0.00 1.57 -0.00 0.16 0.48 115.15 115.67 3djb h HIS 34 Ca -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 3djb h HIS 34 Cb 1.07 0.47 0.00 0.00 -0.00 0.00 0.00 27.41 28.95 3djb h HIS 34 CO 0.17 -0.70 0.00 1.63 -0.00 0.00 0.00 177.93 179.03 3djb n LYS 35 N -5.60 0.00 0.00 5.26 5.02 0.18 -1.46 118.16 121.55 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 0.48 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.46 7.82 0.00 0.17 -2.48 120.51 126.41 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 -0.69 0.00 2.08 -0.54 -1.72 119.36 118.49 3djb n ILE 38 Ca 0.00 0.96 0.52 0.00 0.56 0.00 0.00 62.75 64.79 3djb n ILE 38 Cb 0.00 -1.81 0.81 0.00 -0.75 0.00 0.00 39.64 37.88 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 -1.31 0.01 -0.02 4.38 7.64 -1.04 0.84 113.62 124.12 3djb n SER 39 Ca 0.00 1.01 -0.15 0.00 1.01 0.00 0.00 58.87 60.74 3djb n SER 39 Cb 0.00 -0.51 -0.11 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 0.33 -0.20 -3.43 5.85 -1.83 -3.33 115.31 112.70 3djb h LEU 40 Ca 0.93 -0.72 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3djb h LEU 40 Cb 3.70 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 44.62 3djb h LEU 40 CO -0.04 1.00 0.10 0.77 -0.34 0.00 0.00 178.44 179.92 3djb h SER 41 N -0.31 0.26 0.00 1.25 4.64 0.13 -1.97 113.55 117.56 3djb h SER 41 Ca -0.03 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3djb h SER 41 Cb 1.02 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3djb h SER 41 CO 0.06 0.31 0.00 -1.84 -0.87 0.00 0.00 176.83 174.49 3djb n GLU 42 N -4.86 0.31 0.00 4.77 0.28 -0.71 0.12 120.64 120.55 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 31.63 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 0.82 0.00 0.00 3.44 7.27 -0.90 -4.91 117.38 123.09 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 0.15 -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 1.33 0.00 3.69 -0.58 0.17 -4.85 120.64 120.40 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 0.15 -0.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 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 0.19 0.48 0.72 0.62 0.00 0.33 -5.01 105.19 102.53 3djb n GLY 45 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.18 3.56 -0.02 0.00 -1.26 -4.55 105.19 99.75 3djb n GLY 46 Ca 0.00 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.94 5.52 0.00 1.61 3.84 -1.26 -4.93 114.94 114.78 3djb s ASN 47 Ca 0.00 0.54 0.00 0.00 0.21 0.00 0.00 52.86 53.61 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 -2.15 0.89 0.54 -2.79 0.00 0.00 177.10 173.60 3djb n ARG 48 N 8.95 0.00 -0.29 0.43 5.12 -1.26 -1.05 116.66 128.56 3djb n ARG 48 Ca 0.20 0.79 0.06 0.00 -1.93 0.00 0.00 57.85 56.97 3djb n ARG 48 Cb 0.51 -1.39 0.13 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.39 0.32 0.27 -1.55 -0.00 -1.26 0.43 117.46 113.28 3djb n PHE 49 Ca 0.00 0.98 -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 -0.58 -2.13 2.04 -1.80 -2.99 117.51 112.55 3djb h ILE 50 Ca 0.40 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 66.20 3djb h ILE 50 Cb 0.65 0.57 -0.11 0.00 -0.74 0.00 0.00 36.82 37.19 3djb h ILE 50 CO -0.82 0.03 -0.23 0.40 0.00 0.00 0.00 178.15 177.53 3djb h ILE 51 N -0.77 0.29 0.00 -0.67 2.04 0.17 0.21 117.51 118.77 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 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 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 0.64 -0.81 120.64 118.50 3djb n GLU 52 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3djb n GLU 52 Cb 0.34 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.61 0.00 -0.19 0.62 0.00 0.72 -1.28 120.51 120.99 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 0.65 0.00 0.00 0.00 0.00 19.45 20.12 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 2.60 0.00 0.00 0.00 -1.20 0.90 119.26 121.56 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 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3djb h ALA 55 CO 0.00 -0.87 0.00 1.28 0.00 0.00 0.00 179.25 179.66 3djb n LEU 56 N -4.36 0.39 0.00 0.00 4.77 -0.40 -4.00 117.00 113.40 3djb n LEU 56 Ca 0.18 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3djb n LEU 56 Cb 0.86 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3djb n LEU 56 CO 0.36 -0.16 0.26 0.18 -1.33 0.00 0.00 177.39 176.69 3djb n LEU 57 N -1.88 0.82 0.23 2.23 4.77 0.25 -4.75 117.00 118.66 3djb n LEU 57 Ca 0.06 -0.82 0.06 0.00 -0.03 0.00 0.00 56.01 55.28 3djb n LEU 57 Cb 0.35 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.97 3djb n LEU 57 CO 0.26 0.20 0.96 1.12 -1.33 0.00 0.00 177.39 178.60 3djb h HIS 58 N 0.00 0.02 0.00 -1.77 2.07 -1.52 -2.40 115.15 111.56 3djb h HIS 58 Ca 0.00 -0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 3djb h HIS 58 Cb 0.45 -0.01 -0.02 0.00 2.57 0.00 0.00 27.41 30.40 3djb h HIS 58 CO 0.00 0.14 -0.76 -0.44 -3.07 0.00 0.00 177.93 173.80 3djb h ASP 59 N 0.02 0.00 1.02 3.10 5.19 -1.85 -3.22 116.42 120.68 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 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 3djb h ASP 59 CO 0.01 0.61 0.00 0.58 -3.12 0.00 0.00 179.24 177.33 3djb h VAL 60 N 0.00 0.00 0.00 -1.35 2.07 -1.74 -2.94 116.25 112.30 3djb h VAL 60 Ca -0.04 -0.35 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 3djb h VAL 60 Cb 1.50 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 3djb h VAL 60 CO 0.07 0.00 -2.21 0.00 0.02 0.00 0.00 177.57 175.46 3djb n ALA 61 N -1.81 1.94 -0.99 1.67 0.00 -1.23 -4.73 120.51 115.37 3djb n ALA 61 Ca 0.03 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.44 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 -2.61 0.00 0.00 0.00 2.03 -1.11 -4.46 116.55 110.40 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 0.96 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 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 -4.74 117.00 108.37 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 0.41 0.00 1.45 -1.07 -1.85 -3.48 115.58 111.05 3djb h ASN 66 Ca 0.00 -0.95 0.00 0.00 0.07 0.00 0.00 56.30 55.42 3djb h ASN 66 Cb 0.00 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.12 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 -3.28 4.14 4.07 -1.26 -5.01 120.64 115.10 3djb n GLU 67 Ca -0.13 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 56.91 3djb n GLU 67 Cb 0.77 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 32.10 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 -0.16 0.86 4.31 1.04 -1.26 -5.07 113.70 115.43 3djb s SER 68 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 3djb s SER 68 Cb 0.00 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.49 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 -2.77 120.64 125.73 3djb n GLU 69 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 3djb n GLU 69 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 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 11.19 0.58 0.09 3.44 0.00 -1.26 -3.60 120.64 131.08 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 -1.21 -0.02 0.00 0.00 0.00 0.00 31.44 30.21 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 1.64 2.44 -1.12 4.31 0.00 -1.12 -4.43 120.51 122.23 3djb n ALA 71 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 3djb n ALA 71 Cb 0.29 -1.06 -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 1.22 3.42 0.00 0.00 0.00 -1.24 -3.58 105.19 105.01 3djb n GLY 72 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 1.89 0.00 0.04 1.61 0.00 -1.26 -0.51 118.16 119.92 3djb n LYS 74 Ca 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.60 3djb n LYS 74 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.78 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 0.53 0.17 1.64 3.64 -1.93 -2.27 116.57 118.36 3djb h LYS 75 Ca 0.00 -0.48 -0.34 0.00 -1.27 0.00 0.00 60.65 58.56 3djb h LYS 75 Cb 0.00 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3djb h LYS 75 CO 0.00 1.11 -1.66 0.28 -2.27 0.00 0.00 179.45 176.91 3djb h VAL 76 N 0.34 1.03 0.04 2.00 2.07 -1.15 -3.31 116.25 117.29 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 1.44 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.97 3djb h VAL 76 CO 0.15 0.84 -0.26 -1.28 0.02 0.00 0.00 177.57 177.04 3djb h SER 77 N 0.10 -0.78 0.12 0.57 0.87 -1.78 -1.40 113.55 111.25 3djb h SER 77 Ca -0.31 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3djb h SER 77 Cb 2.08 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 64.33 3djb h SER 77 CO 0.18 -0.27 0.00 -0.90 -0.53 0.00 0.00 176.83 175.32 3djb n ASP 78 N -3.91 0.00 -0.09 6.23 3.85 -0.86 -2.48 116.55 119.30 3djb n ASP 78 Ca -0.04 0.48 -0.18 0.00 -0.71 0.00 0.00 54.79 54.35 3djb n ASP 78 Cb 0.20 -0.49 -0.12 0.00 -1.35 0.00 0.00 41.12 39.36 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 -0.14 2.11 2.91 -1.39 -3.15 115.95 116.29 3djb h TRP 79 Ca 0.00 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.06 3djb h TRP 79 Cb 0.06 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3djb h TRP 79 CO 0.00 1.22 0.30 -0.07 -1.03 0.00 0.00 178.44 178.86 3djb h LEU 80 N -1.00 0.00 0.01 0.65 3.38 -0.97 0.16 115.31 117.54 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 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3djb h LEU 80 CO -0.11 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.08 3djb h GLU 81 N 0.00 -0.02 -0.55 1.13 4.39 -1.62 -1.74 114.58 116.17 3djb h GLU 81 Ca 0.06 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.84 3djb h GLU 81 Cb 0.67 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 3djb h GLU 81 CO -0.00 0.64 0.37 1.49 -1.16 0.00 0.00 179.01 180.35 3djb h GLU 82 N -0.70 0.42 -0.02 2.33 4.81 -0.95 0.62 114.58 121.09 3djb h GLU 82 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3djb h GLU 82 Cb 0.67 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3djb h GLU 82 CO 0.00 0.28 0.00 1.28 -0.73 0.00 0.00 179.01 179.84 3djb n LEU 83 N -4.47 1.03 -2.61 1.64 7.99 -0.74 -5.00 117.00 114.83 3djb n LEU 83 Ca 0.08 -0.35 -0.03 0.00 -0.01 0.00 0.00 56.01 55.70 3djb n LEU 83 Cb 0.30 -0.01 -0.02 0.00 -0.11 0.00 0.00 43.42 43.58 3djb n LEU 83 CO 0.34 0.18 -0.41 1.41 -1.51 0.00 0.00 177.39 177.40 3djb n HIS 84 N -0.19 -3.05 -3.49 -1.77 8.25 0.22 -5.03 115.22 110.16 3djb n HIS 84 Ca 0.20 1.79 -0.20 0.00 -0.26 0.00 0.00 57.72 59.25 3djb n HIS 84 Cb 0.27 -2.92 -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 -0.42 -0.28 -0.09 1.59 1.01 -1.03 -4.97 120.40 116.21 3djb s VAL 85 Ca -0.14 -0.29 -0.34 0.00 0.00 0.00 0.00 61.98 61.22 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 0.37 -0.34 0.97 -0.62 0.00 0.00 0.00 175.10 175.48 3djb n GLU 86 N 5.30 0.00 -0.08 2.72 1.02 -1.26 -4.24 120.64 124.10 3djb n GLU 86 Ca -0.05 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.35 3djb n GLU 86 Cb 0.48 -1.24 0.66 0.00 -0.02 0.00 0.00 31.44 31.32 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 2.82 0.00 -0.28 3.49 4.81 -1.99 0.85 114.58 124.28 3djb h GLU 87 Ca -0.41 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 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 0.59 0.00 0.21 1.49 -0.73 0.00 0.00 179.01 180.57 3djb h GLU 88 N 0.00 0.00 0.00 1.92 4.81 -2.00 -0.05 114.58 119.26 3djb h GLU 88 Ca 0.36 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.30 3djb h GLU 88 Cb 1.86 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.20 3djb h GLU 88 CO -0.00 0.00 -2.02 0.39 -0.73 0.00 0.00 179.01 176.65 3djb n GLU 89 N -4.32 0.41 -0.23 1.92 1.02 0.28 -4.54 120.64 115.19 3djb n GLU 89 Ca 0.04 0.14 0.02 0.00 -0.02 0.00 0.00 57.16 57.33 3djb n GLU 89 Cb 0.37 -1.25 0.14 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.35 0.26 -0.31 1.62 0.87 -1.14 0.37 113.55 114.87 3djb h SER 90 Ca -0.43 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.30 3djb h SER 90 Cb 1.51 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.52 3djb h SER 90 CO -0.18 0.14 0.35 0.50 -0.53 0.00 0.00 176.83 177.10 3djb h LYS 91 N 0.44 0.00 0.05 2.24 1.63 -1.23 -0.36 116.57 119.33 3djb h LYS 91 Ca 0.35 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.81 3djb h LYS 91 Cb 0.46 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 3djb h LYS 91 CO -0.34 0.00 -1.95 1.58 -3.45 0.00 0.00 179.45 175.29 3djb n HIS 92 N -3.71 0.91 0.09 1.91 -0.00 0.11 -3.46 115.22 111.07 3djb n HIS 92 Ca 0.05 0.26 -0.04 0.00 0.46 0.00 0.00 57.72 58.45 3djb n HIS 92 Cb 0.50 -1.14 -0.02 0.00 -0.12 0.00 0.00 29.99 29.21 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 0.52 -2.84 116.25 119.59 3djb h VAL 93 Ca -0.39 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.03 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 -2.96 0.00 0.00 2.57 -0.00 -0.29 -3.15 117.00 113.16 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 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3djb n LEU 94 CO 0.07 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.03 3djb n HIS 95 N -0.71 0.00 0.10 1.47 -0.00 -1.08 -3.99 115.22 111.02 3djb n HIS 95 Ca 0.03 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.41 3djb n HIS 95 Cb 0.01 -0.43 0.73 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 0.31 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 0.61 0.00 0.00 -0.27 0.00 0.00 36.82 37.16 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 -3.58 1.55 -0.08 0.16 3.06 -1.20 -0.53 119.36 118.73 3djb n ILE 97 Ca 0.07 0.39 -0.22 0.00 -2.50 0.00 0.00 62.75 60.49 3djb n ILE 97 Cb 0.65 -1.35 -0.12 0.00 0.54 0.00 0.00 39.64 39.35 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 0.83 -1.04 1.51 0.00 0.25 -4.89 120.51 115.76 3djb n ALA 98 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3djb n ALA 98 Cb 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 -4.17 0.00 -0.65 0.00 4.13 0.31 -5.15 115.26 109.73 3djb n ASN 99 Ca -0.33 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.93 3djb n ASN 99 Cb 0.79 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.03 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 -1.45 -0.27 6.41 2.88 -1.26 -5.02 113.62 114.91 3djb n SER 112 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3djb n SER 112 Cb 0.00 -0.72 0.08 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 1.12 0.35 2.46 2.10 -2.01 0.35 117.51 121.88 3djb h ILE 113 Ca 0.00 -0.32 -0.00 0.00 1.08 0.00 0.00 64.86 65.62 3djb h ILE 113 Cb 0.00 0.10 -0.03 0.00 -1.09 0.00 0.00 36.82 35.80 3djb h ILE 113 CO 0.00 0.17 -0.45 -0.33 -1.08 0.00 0.00 178.15 176.46 3djb h GLU 114 N 0.94 -0.81 0.36 2.19 3.07 -1.94 -0.13 114.58 118.27 3djb h GLU 114 Ca 0.30 0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.20 3djb h GLU 114 Cb -0.01 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3djb h GLU 114 CO -0.10 -0.54 -0.23 0.78 -1.40 0.00 0.00 179.01 177.52 3djb h GLY 115 N -0.84 -0.59 -0.90 -3.84 0.00 -1.90 -2.17 103.07 92.83 3djb h GLY 115 Ca -0.03 0.25 0.36 0.00 0.00 0.00 0.00 47.33 47.91 3djb h GLY 115 CO -0.13 -0.23 0.38 1.70 0.00 0.00 0.00 176.54 178.27 3djb h LYS 116 N -0.57 0.05 -0.14 4.80 3.64 -0.04 0.46 116.57 124.78 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 0.47 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3djb h LYS 116 CO 0.04 0.04 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.05 3djb h LEU 117 N 0.05 0.35 -0.71 5.20 3.38 -0.48 -1.88 115.31 121.23 3djb h LEU 117 Ca 0.75 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 58.35 3djb h LEU 117 Cb 1.83 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.40 3djb h LEU 117 CO -0.79 0.75 0.32 0.58 0.09 0.00 0.00 178.44 179.39 3djb h VAL 118 N -0.05 0.78 -0.06 1.22 2.07 0.45 0.25 116.25 120.91 3djb h VAL 118 Ca 0.02 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3djb h VAL 118 Cb 0.65 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3djb h VAL 118 CO 0.03 0.10 -0.24 -0.61 0.02 0.00 0.00 177.57 176.87 3djb h GLN 119 N 0.53 0.10 0.00 1.57 4.15 -1.03 -0.68 115.11 119.75 3djb h GLN 119 Ca 0.36 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.66 3djb h GLN 119 Cb 0.45 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3djb h GLN 119 CO -0.31 0.34 -0.44 -0.44 -1.93 0.00 0.00 178.83 176.05 3djb h ASP 120 N 0.09 0.00 1.14 -0.69 3.45 0.02 -2.34 116.42 118.09 3djb h ASP 120 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3djb h ASP 120 Cb 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 3djb h ASP 120 CO 0.03 0.44 -0.26 0.00 -1.57 0.00 0.00 179.24 177.88 3djb n ALA 121 N -2.24 2.61 -0.10 3.45 0.00 0.62 -2.82 120.51 122.04 3djb n ALA 121 Ca 0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 3djb n ALA 121 Cb 0.64 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.08 2.00 -0.02 0.00 2.03 -0.38 -4.17 116.55 113.93 3djb n ASP 122 Ca 0.05 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.43 3djb n ASP 122 Cb 0.42 -0.67 0.18 0.00 -0.72 0.00 0.00 41.12 40.32 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 -0.31 0.58 -0.07 -0.67 2.43 -1.56 -2.27 114.38 112.51 3djb h ARG 123 Ca -0.54 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.44 3djb h ARG 123 Cb 1.81 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3djb h ARG 123 CO -0.13 0.75 0.05 -0.07 -1.51 0.00 0.00 179.97 179.06 3djb h LEU 124 N 0.52 0.00 -4.01 3.80 3.38 -1.72 -2.90 115.31 114.37 3djb h LEU 124 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3djb h LEU 124 Cb 0.64 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 3djb h LEU 124 CO 0.05 0.00 -0.31 -0.67 0.09 0.00 0.00 178.44 177.60 3djb n ASP 125 N -4.49 4.87 0.00 -0.43 2.03 -0.85 -2.48 116.55 115.20 3djb n ASP 125 Ca -0.01 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.89 3djb n ASP 125 Cb 0.16 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 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 2.47 0.35 -2.68 -1.67 0.00 -1.10 -4.98 120.51 112.91 3djb n ALA 126 Ca 0.37 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.60 3djb n ALA 126 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.27 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 -0.50 4.07 0.00 0.00 1.43 -1.03 -3.99 118.68 118.66 3djb s LEU 127 Ca 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3djb s LEU 127 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3djb s LEU 127 CO 0.00 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3djb n GLY 128 N -1.63 -0.09 0.29 -3.19 0.00 -1.26 -4.22 105.19 95.10 3djb n GLY 128 Ca -0.04 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.02 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 0.32 -0.38 -0.27 4.61 0.00 -1.26 0.84 120.51 124.37 3djb n ALA 129 Ca 0.00 0.63 0.08 0.00 0.00 0.00 0.00 53.44 54.15 3djb n ALA 129 Cb 0.00 -0.15 0.22 0.00 0.00 0.00 0.00 19.45 19.52 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 0.37 0.77 0.00 1.08 -1.94 0.58 117.51 118.36 3djb h ILE 130 Ca 0.14 -0.06 -0.03 0.00 -0.39 0.00 0.00 64.86 64.52 3djb h ILE 130 Cb 0.32 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.24 3djb h ILE 130 CO -0.68 0.03 -0.46 1.23 -0.69 0.00 0.00 178.15 177.59 3djb h GLY 131 N 0.19 -1.25 -0.79 5.37 0.00 0.31 2.13 103.07 109.02 3djb h GLY 131 Ca 0.47 0.51 0.09 0.00 0.00 0.00 0.00 47.33 48.40 3djb h GLY 131 CO -0.62 -0.43 -0.52 -2.22 0.00 0.00 0.00 176.54 172.75 3djb h ILE 132 N -1.14 0.02 0.51 2.60 2.04 -0.36 0.38 117.51 121.56 3djb h ILE 132 Ca -0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 3djb h ILE 132 Cb 0.91 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3djb h ILE 132 CO 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.95 3djb h ALA 133 N 0.60 -0.78 -1.12 1.87 0.00 -0.42 -1.20 119.26 118.21 3djb h ALA 133 Ca 0.18 -0.16 0.35 0.00 0.00 0.00 0.00 54.91 55.29 3djb h ALA 133 Cb 0.51 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 3djb h ALA 133 CO -0.84 -0.95 0.69 -0.09 0.00 0.00 0.00 179.25 178.06 3djb h ARG 134 N -0.78 0.24 0.00 0.00 2.43 0.53 -0.41 114.38 116.39 3djb h ARG 134 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3djb h ARG 134 Cb 0.63 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3djb h ARG 134 CO 0.07 0.16 0.00 2.41 -1.51 0.00 0.00 179.97 181.10 3djb n THR 135 N -4.82 0.00 -0.28 0.20 -1.04 0.12 -0.69 114.28 107.76 3djb n THR 135 Ca 0.32 1.17 0.27 0.00 -2.04 0.00 0.00 64.05 63.77 3djb n THR 135 Cb 1.12 -2.16 0.63 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.30 0.77 -1.42 0.04 -1.12 0.48 116.94 115.99 3djb h PHE 136 Ca 0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3djb h PHE 136 Cb 0.00 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.07 3djb h PHE 136 CO 0.15 0.04 -0.37 0.00 -0.60 0.00 0.00 178.31 177.53 3djb h ALA 137 N 1.54 -1.03 -0.39 2.45 0.00 -1.04 0.51 119.26 121.30 3djb h ALA 137 Ca 0.53 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3djb h ALA 137 Cb 1.73 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 3djb h ALA 137 CO -0.13 -1.03 0.26 -0.92 0.00 0.00 0.00 179.25 177.43 3djb h TYR 138 N -1.12 0.28 -0.27 0.00 3.20 0.81 -0.95 116.97 118.92 3djb h TYR 138 Ca -0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 3djb h TYR 138 Cb 0.81 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3djb h TYR 138 CO -0.01 0.16 0.05 0.78 -1.64 0.00 0.00 178.16 177.50 3djb h GLY 139 N 0.29 0.47 0.70 1.82 0.00 0.56 0.59 103.07 107.50 3djb h GLY 139 Ca 0.17 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3djb h GLY 139 CO -0.04 0.28 -0.04 -1.33 0.00 0.00 0.00 176.54 175.41 3djb h GLY 140 N 0.25 0.09 0.98 4.60 0.00 0.13 -0.65 103.07 108.46 3djb h GLY 140 Ca 0.08 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3djb h GLY 140 CO 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 176.54 176.26 3djb h ALA 141 N 1.11 -0.60 0.00 3.60 0.00 -1.27 -2.04 119.26 120.06 3djb h ALA 141 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3djb h ALA 141 Cb 0.12 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3djb h ALA 141 CO -0.15 -0.84 0.00 1.63 0.00 0.00 0.00 179.25 179.89 3djb n LYS 142 N -5.35 0.05 -2.26 0.00 4.01 0.19 -4.89 118.16 109.91 3djb n LYS 142 Ca -0.11 0.29 -0.01 0.00 -0.51 0.00 0.00 58.31 57.96 3djb n LYS 142 Cb 0.26 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 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 -0.87 -0.85 3.33 0.72 0.00 -0.30 -5.05 105.19 102.17 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 -2.64 1.10 0.00 1.61 0.52 -0.93 -5.04 118.95 113.57 3djb s ARG 144 Ca 0.04 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 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 0.39 -0.41 0.00 1.28 0.02 0.00 0.00 175.30 176.58 3djb n LEU 145 N -0.19 0.00 -4.69 2.53 4.77 -1.26 -4.60 117.00 113.56 3djb n LEU 145 Ca -0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 3djb n LEU 145 Cb 0.63 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.83 3djb n LEU 145 CO 0.22 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.05 3djb n TYR 147 N 0.00 1.35 -3.38 -1.77 -0.00 -1.26 -2.15 117.16 109.95 3djb n TYR 147 Ca 0.00 0.41 0.01 0.00 -0.00 0.00 0.00 57.90 58.32 3djb n TYR 147 Cb 0.00 -2.14 -0.03 0.00 -0.00 0.00 0.00 39.34 37.17 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 -1.88 -1.19 0.00 2.98 -1.08 -1.26 -5.03 116.67 109.21 3djb s ASP 148 Ca 0.76 1.15 0.11 0.00 -0.52 0.00 0.00 52.55 54.04 3djb s ASP 148 Cb -0.32 2.16 0.51 0.00 -1.46 0.00 0.00 42.92 43.81 3djb s ASP 148 CO 0.48 -0.24 1.29 -0.81 0.52 0.00 0.00 175.17 176.41 3djb n PRO 149 N 5.43 0.09 0.07 4.34 -0.04 -1.26 -1.68 135.00 141.95 3djb n PRO 149 Ca -0.06 0.24 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 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 -3.04 0.52 2.02 -2.08 -3.40 112.91 106.93 3djb h THR 150 Ca 0.00 -0.55 -0.62 0.00 0.77 0.00 0.00 66.41 66.01 3djb h THR 150 Cb 0.14 1.14 -0.41 0.00 -1.74 0.00 0.00 68.15 67.28 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 2.15 0.95 3.11 -1.09 -0.68 -5.12 121.20 117.34 3djb s ILE 151 Ca 0.06 -3.45 -0.12 0.00 -2.23 0.00 0.00 60.65 54.91 3djb s ILE 151 Cb 0.13 -2.46 0.16 0.00 -1.58 0.00 0.00 42.46 38.71 3djb s ILE 151 CO 0.72 -0.96 1.09 -2.16 -1.23 0.00 0.00 174.94 172.40 3djb s PRO 152 N -0.57 0.84 0.91 2.79 0.04 -1.26 -4.73 135.00 133.01 3djb s PRO 152 Ca 0.22 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 3djb s PRO 152 Cb -0.13 -1.76 0.14 0.00 0.04 0.00 0.00 34.50 32.78 3djb s PRO 152 CO -0.09 -2.52 1.11 -1.25 0.04 0.00 0.00 177.00 174.30 3djb s PRO 153 N -4.89 1.09 0.09 0.56 0.04 -1.26 -5.06 135.00 125.56 3djb s PRO 153 Ca 0.64 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3djb s PRO 153 Cb -0.19 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3djb s PRO 153 CO 0.58 -2.50 0.00 -2.13 0.04 0.00 0.00 177.00 172.99 3djb n ARG 154 N -4.12 0.00 -3.53 4.56 0.00 -1.26 -5.09 116.66 107.22 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 -4.76 2.44 0.59 6.15 3.84 -1.26 -4.92 116.67 118.75 3djb s ASP 167 Ca 0.00 -3.13 -0.09 0.00 -0.00 0.00 0.00 52.55 49.33 3djb s ASP 167 Cb 0.00 -0.73 -0.02 0.00 -1.38 0.00 0.00 42.92 40.79 3djb s ASP 167 CO 0.00 -0.17 0.96 -2.16 -0.00 0.00 0.00 175.17 173.80 3djb s PRO 168 N -0.15 3.39 0.29 2.11 0.04 -1.26 -4.75 135.00 134.66 3djb s PRO 168 Ca 0.29 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.79 3djb s PRO 168 Cb -0.02 -2.17 0.43 0.00 0.04 0.00 0.00 34.50 32.77 3djb s PRO 168 CO -0.16 -0.56 1.84 0.77 0.04 0.00 0.00 177.00 178.93 3djb h SER 169 N -0.21 0.75 -0.16 6.66 0.02 -1.77 -2.95 113.55 115.89 3djb h SER 169 Ca -0.45 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.32 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 0.73 -0.04 0.25 -1.14 0.00 0.00 176.83 177.25 3djb h LEU 170 N 0.78 0.42 -0.77 5.07 5.85 -1.95 -2.80 115.31 121.91 3djb h LEU 170 Ca 0.17 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3djb h LEU 170 Cb 0.28 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3djb h LEU 170 CO -0.00 0.51 0.26 0.78 -0.34 0.00 0.00 178.44 179.65 3djb h ASN 171 N 0.42 1.10 -1.46 1.25 -0.26 -1.89 -2.59 115.58 112.16 3djb h ASN 171 Ca 0.09 -0.20 0.42 0.00 -0.56 0.00 0.00 56.30 56.06 3djb h ASN 171 Cb 0.35 -0.29 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 3djb h ASN 171 CO 0.01 1.01 1.08 -0.74 -1.06 0.00 0.00 177.43 177.73 3djb h HIS 172 N 1.14 0.00 0.78 1.19 2.76 -1.55 -0.15 115.15 119.32 3djb h HIS 172 Ca 0.25 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.38 3djb h HIS 172 Cb 0.28 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.25 3djb h HIS 172 CO 0.02 0.00 -0.39 0.74 -1.30 0.00 0.00 177.93 177.01 3djb h PHE 173 N 0.00 -1.01 -0.93 5.26 -1.00 -1.60 -1.85 116.94 115.81 3djb h PHE 173 Ca 0.69 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.45 3djb h PHE 173 Cb 2.84 0.34 -0.04 0.00 3.61 0.00 0.00 35.95 42.70 3djb h PHE 173 CO 0.00 -0.62 0.56 1.88 -1.61 0.00 0.00 178.31 178.52 3djb h TYR 174 N -1.07 1.22 -0.02 -0.55 0.05 -1.35 -0.99 116.97 114.26 3djb h TYR 174 Ca -0.11 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3djb h TYR 174 Cb 0.82 -0.40 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 3djb h TYR 174 CO 0.03 0.81 -0.03 1.49 -1.05 0.00 0.00 178.16 179.42 3djb h GLU 175 N 1.28 -0.02 -0.64 4.88 4.57 -0.87 -3.39 114.58 120.39 3djb h GLU 175 Ca 0.33 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 58.22 3djb h GLU 175 Cb -0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 28.75 28.19 3djb h GLU 175 CO -0.06 -0.01 -0.99 1.63 -1.18 0.00 0.00 179.01 178.40 3djb n LYS 176 N -2.84 1.31 0.04 1.92 5.02 -0.72 -4.93 118.16 117.96 3djb n LYS 176 Ca -0.00 -2.96 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 3djb n LYS 176 Cb 0.02 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.37 -0.02 0.32 -0.35 4.77 -0.49 -4.83 117.00 116.03 3djb n LEU 177 Ca 0.05 0.13 0.20 0.00 -0.03 0.00 0.00 56.01 56.36 3djb n LEU 177 Cb 0.82 0.10 1.07 0.00 -2.33 0.00 0.00 43.42 43.08 3djb n LEU 177 CO 0.14 -0.55 1.14 -0.07 -1.33 0.00 0.00 177.39 176.72 3djb h LEU 178 N 0.00 0.00 -2.99 2.23 3.38 -1.50 -1.37 115.31 115.06 3djb h LEU 178 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3djb h LEU 178 Cb 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3djb h LEU 178 CO 0.00 0.01 0.19 2.29 0.09 0.00 0.00 178.44 181.02 3djb n LYS 179 N -3.30 2.88 -0.01 1.13 2.85 -1.26 -4.08 118.16 116.38 3djb n LYS 179 Ca -0.03 -2.08 0.05 0.00 -1.05 0.00 0.00 58.31 55.20 3djb n LYS 179 Cb 0.11 -1.93 -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 -0.01 0.25 0.00 -5.58 4.77 -0.52 -4.11 117.00 111.80 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 1.06 0.11 0.54 0.00 -2.33 0.00 0.00 43.42 42.80 3djb n LEU 180 CO 0.30 0.10 0.81 2.29 -1.33 0.00 0.00 177.39 179.57 3djb n LYS 181 N -2.52 0.40 0.00 3.23 -0.00 -1.26 -2.27 118.16 115.74 3djb n LYS 181 Ca -0.10 0.07 0.11 0.00 -0.00 0.00 0.00 58.31 58.38 3djb n LYS 181 Cb 0.73 -1.50 -0.02 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 -1.20 1.51 -4.25 -5.58 8.00 -1.26 -4.90 116.55 108.87 3djb n ASP 182 Ca 0.11 -1.23 -0.43 0.00 0.71 0.00 0.00 54.79 53.95 3djb n ASP 182 Cb 0.13 0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.71 6.22 0.00 0.64 2.01 -0.96 -5.20 118.68 118.68 3djb s LEU 183 Ca 0.14 -2.92 0.00 0.00 0.01 0.00 0.00 54.13 51.36 3djb s LEU 183 Cb 0.17 -2.09 0.00 0.00 0.01 0.00 0.00 46.19 44.28 3djb s LEU 183 CO 0.69 -0.45 0.00 0.59 1.01 0.00 0.00 176.35 178.19 3djb n ASN 185 N 3.57 0.00 -4.48 2.29 3.02 -1.26 -5.01 115.26 113.39 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 0.22 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 -0.32 1.93 -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 -2.34 -0.13 0.00 1.34 0.00 0.00 72.50 71.37 3djb s THR 186 CO 0.00 0.00 0.93 0.78 -0.54 0.00 0.00 174.62 175.79 3djb h ASN 187 N -2.30 -0.52 -0.93 3.99 -0.26 -1.98 -2.28 115.58 111.31 3djb h ASN 187 Ca -0.56 -0.06 0.26 0.00 -0.56 0.00 0.00 56.30 55.38 3djb h ASN 187 Cb 1.33 0.13 -0.14 0.00 -1.06 0.00 0.00 38.32 38.58 3djb h ASN 187 CO 0.52 -0.10 0.37 0.00 -1.06 0.00 0.00 177.43 177.16 3djb h ALA 188 N -0.89 1.53 -0.15 -0.83 0.00 -1.91 0.56 119.26 117.57 3djb h ALA 188 Ca -0.06 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3djb h ALA 188 Cb 0.55 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3djb h ALA 188 CO 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 179.25 178.89 3djb h ALA 189 N 1.80 0.20 -0.68 0.00 0.00 -1.93 -1.33 119.26 117.32 3djb h ALA 189 Ca 0.62 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.39 3djb h ALA 189 Cb 1.30 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3djb h ALA 189 CO -0.63 -0.14 0.43 0.87 0.00 0.00 0.00 179.25 179.79 3djb h LYS 190 N 0.04 0.84 0.29 0.00 1.57 0.31 0.03 116.57 119.65 3djb h LYS 190 Ca 0.05 -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 -0.20 0.37 -0.57 0.00 0.00 179.45 179.61 3djb h GLN 191 N 0.86 -0.45 -0.80 3.15 5.75 0.10 -1.20 115.11 122.53 3djb h GLN 191 Ca 0.26 0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.98 3djb h GLN 191 Cb -0.03 0.10 -0.14 0.00 1.07 0.00 0.00 27.48 28.48 3djb h GLN 191 CO -0.09 -0.30 -0.00 1.49 -2.65 0.00 0.00 178.83 177.28 3djb h GLU 192 N -0.47 0.08 -0.87 1.69 4.57 -1.19 -0.25 114.58 118.14 3djb h GLU 192 Ca -0.04 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.27 3djb h GLU 192 Cb 0.38 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.86 3djb h GLU 192 CO 0.03 0.06 0.49 0.00 -1.18 0.00 0.00 179.01 178.40 3djb h ALA 193 N 1.76 1.30 -0.59 2.92 0.00 -0.65 0.27 119.26 124.27 3djb h ALA 193 Ca 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 3djb h ALA 193 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3djb h ALA 193 CO -0.72 0.01 0.19 0.93 0.00 0.00 0.00 179.25 179.67 3djb h GLU 194 N 0.73 0.91 -0.27 0.00 4.39 0.19 0.68 114.58 121.21 3djb h GLU 194 Ca 0.46 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 3djb h GLU 194 Cb 0.56 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3djb h GLU 194 CO -0.31 0.81 -0.01 0.28 -1.16 0.00 0.00 179.01 178.61 3djb h VAL 195 N 0.83 1.26 -0.16 3.13 2.07 -0.60 -0.13 116.25 122.65 3djb h VAL 195 Ca 0.19 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3djb h VAL 195 Cb 0.27 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3djb h VAL 195 CO -0.01 0.30 0.07 0.03 0.02 0.00 0.00 177.57 177.98 3djb h ARG 196 N 0.26 0.24 -0.51 1.57 3.08 -0.32 -2.80 114.38 115.89 3djb h ARG 196 Ca 0.07 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.12 3djb h ARG 196 Cb 0.45 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3djb h ARG 196 CO 0.02 0.31 0.27 1.25 -1.07 0.00 0.00 179.97 180.75 3djb h HIS 197 N 0.11 0.50 -0.68 3.04 2.76 0.44 -2.37 115.15 118.94 3djb h HIS 197 Ca 0.05 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 3djb h HIS 197 Cb 0.16 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 28.89 3djb h HIS 197 CO -0.02 0.26 0.31 -0.09 -1.30 0.00 0.00 177.93 177.09 3djb h ARG 198 N 0.53 0.50 -1.78 5.26 2.43 -0.90 -2.29 114.38 118.13 3djb h ARG 198 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3djb h ARG 198 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3djb h ARG 198 CO -0.13 0.33 0.00 0.98 -1.51 0.00 0.00 179.97 179.64 3djb n TYR 199 N -4.92 0.00 0.00 2.20 4.19 -0.89 -1.26 117.16 116.47 3djb n TYR 199 Ca 0.11 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.32 3djb n TYR 199 Cb 0.29 -0.09 0.00 0.00 0.49 0.00 0.00 39.34 40.03 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 0.94 0.00 -0.18 2.98 1.02 -0.86 -0.33 120.64 124.20 3djb n GLU 201 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3djb n GLU 201 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 31.77 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 0.74 0.96 3.49 4.20 -1.47 -1.51 115.11 121.52 3djb h GLN 202 Ca 0.00 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3djb h GLN 202 Cb 0.00 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.62 3djb h GLN 202 CO 0.00 0.49 -0.46 0.35 -0.67 0.00 0.00 178.83 178.54 3djb h PHE 203 N 0.77 -1.20 0.00 2.96 3.04 -0.93 0.76 116.94 122.34 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 0.24 0.40 0.00 0.00 2.56 0.00 0.00 35.95 39.15 3djb h PHE 203 CO -0.00 -0.74 0.07 -0.89 -2.02 0.00 0.00 178.31 174.73 3djb n ILE 204 N -5.63 1.21 0.04 1.41 5.41 -1.02 0.11 119.36 120.90 3djb n ILE 204 Ca -0.16 0.66 -0.17 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 0.22 0.00 0.38 4.81 -0.27 -3.31 114.58 116.41 3djb h GLU 205 Ca 0.00 -0.38 -0.22 0.00 -0.13 0.00 0.00 59.36 58.62 3djb h GLU 205 Cb 0.14 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3djb h GLU 205 CO 0.00 1.06 -1.14 0.37 -0.73 0.00 0.00 179.01 178.56 3djb h GLN 206 N 0.06 0.00 -0.31 1.92 5.75 0.22 -3.16 115.11 119.59 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 0.84 0.00 0.34 -2.65 0.00 0.00 178.83 177.50 3djb n PHE 207 N -3.26 0.00 0.00 3.99 -0.00 0.31 -2.84 117.46 115.65 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 -0.17 -4.13 2.85 -1.20 -1.62 118.16 114.24 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 0.03 0.00 -0.65 0.00 0.00 35.03 34.49 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 0.99 -0.34 -1.58 5.08 -1.83 0.20 114.58 117.10 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 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3djb h GLU 210 CO 0.00 1.05 0.28 2.35 -1.00 0.00 0.00 179.01 181.69 3djb h TRP 211 N 0.87 0.00 -0.31 4.33 2.91 -1.59 0.27 115.95 122.44 3djb h TRP 211 Ca 0.13 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.08 3djb h TRP 211 Cb 0.70 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.31 3djb h TRP 211 CO 0.05 0.00 0.00 0.09 -1.03 0.00 0.00 178.44 177.55 3djb n ASN 212 N -4.19 3.46 -3.54 2.65 3.02 -0.98 -5.00 115.26 110.67 3djb n ASN 212 Ca 0.05 -3.26 -0.27 0.00 -0.03 0.00 0.00 54.58 51.07 3djb n ASN 212 Cb 0.45 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.73 -2.60 1.21 5.41 0.00 0.96 -5.03 120.51 119.74 3djb n ALA 213 Ca 0.26 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.94 3djb n ALA 213 Cb 0.96 -1.63 0.28 0.00 0.00 0.00 0.00 19.45 19.05 3djb n ALA 213 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44