#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj1 s VAL 2 N 0.00 2.03 -0.03 1.55 -7.23 -1.26 -5.04 120.40 110.42 3bj1 s VAL 2 Ca 0.00 -0.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.99 3bj1 s VAL 2 Cb 0.00 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 3bj1 s VAL 2 CO 0.00 0.48 0.56 0.26 -0.31 0.00 0.00 175.10 176.09 3bj1 s TRP 3 N 1.29 3.64 0.61 2.82 0.52 -1.26 -5.08 118.94 121.48 3bj1 s TRP 3 Ca 0.04 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.15 3bj1 s TRP 3 Cb -0.14 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 3bj1 s TRP 3 CO -0.12 0.31 1.03 0.95 0.02 0.00 0.00 176.95 179.14 3bj1 s THR 4 N 0.01 4.39 0.25 2.01 -4.23 -1.26 -4.91 115.64 111.90 3bj1 s THR 4 Ca 0.30 0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 61.70 3bj1 s THR 4 Cb -0.17 -3.66 0.23 0.00 1.34 0.00 0.00 72.50 70.24 3bj1 s THR 4 CO 0.15 -0.88 1.73 0.44 -0.54 0.00 0.00 174.62 175.52 3bj1 h ASP 5 N 0.01 0.33 -0.37 3.99 3.32 -1.99 -1.44 116.42 120.27 3bj1 h ASP 5 Ca -0.45 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3bj1 h ASP 5 Cb 1.20 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3bj1 h ASP 5 CO 0.60 0.11 0.23 0.15 -1.72 0.00 0.00 179.24 178.62 3bj1 h PHE 6 N 0.47 0.47 -0.22 4.55 3.04 -2.00 -2.30 116.94 120.96 3bj1 h PHE 6 Ca 0.44 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.39 3bj1 h PHE 6 Cb 0.69 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 3bj1 h PHE 6 CO -0.15 0.32 0.09 0.93 -2.02 0.00 0.00 178.31 177.48 3bj1 h GLU 7 N 0.49 0.32 -0.08 1.11 5.08 -1.74 -1.19 114.58 118.57 3bj1 h GLU 7 Ca 0.13 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3bj1 h GLU 7 Cb -0.03 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3bj1 h GLU 7 CO -0.03 0.36 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.10 3bj1 h ARG 8 N 0.21 -0.21 -0.21 2.33 2.43 -1.28 -1.38 114.38 116.27 3bj1 h ARG 8 Ca 0.07 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3bj1 h ARG 8 Cb 0.15 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3bj1 h ARG 8 CO -0.01 -0.14 -0.37 0.00 -1.51 0.00 0.00 179.97 177.94 3bj1 h ALA 9 N 0.79 0.98 -0.43 2.80 0.00 -1.37 -2.84 119.26 119.19 3bj1 h ALA 9 Ca 0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3bj1 h ALA 9 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bj1 h ALA 9 CO -0.21 0.61 0.07 1.15 0.00 0.00 0.00 179.25 180.87 3bj1 h THR 10 N 0.38 1.24 -0.18 0.00 2.02 -0.93 0.14 112.91 115.58 3bj1 h THR 10 Ca 0.04 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 3bj1 h THR 10 Cb 0.83 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3bj1 h THR 10 CO 0.07 0.31 0.06 0.40 0.37 0.00 0.00 175.52 176.72 3bj1 h ILE 11 N 0.56 1.18 -0.64 3.11 1.08 -1.19 0.73 117.51 122.33 3bj1 h ILE 11 Ca 0.13 -0.55 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 3bj1 h ILE 11 Cb 0.37 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 3bj1 h ILE 11 CO 0.01 0.17 0.15 0.00 -0.69 0.00 0.00 178.15 177.79 3bj1 h ALA 12 N 0.89 1.05 -0.54 1.87 0.00 -1.47 -2.23 119.26 118.83 3bj1 h ALA 12 Ca 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3bj1 h ALA 12 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3bj1 h ALA 12 CO -0.00 0.62 0.22 0.22 0.00 0.00 0.00 179.25 180.31 3bj1 h ASP 13 N 0.97 0.75 0.28 0.00 3.58 -0.65 -1.16 116.42 120.19 3bj1 h ASP 13 Ca 0.20 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 3bj1 h ASP 13 Cb 0.35 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3bj1 h ASP 13 CO 0.00 0.71 -0.22 0.40 -2.88 0.00 0.00 179.24 177.26 3bj1 h ILE 14 N 0.73 0.54 -0.05 2.25 2.04 -0.61 -2.86 117.51 119.56 3bj1 h ILE 14 Ca 0.18 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 3bj1 h ILE 14 Cb 0.20 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3bj1 h ILE 14 CO -0.01 0.00 -0.18 -0.26 0.00 0.00 0.00 178.15 177.69 3bj1 h PHE 15 N -0.50 0.08 0.00 1.37 0.04 -1.31 -0.13 116.94 116.49 3bj1 h PHE 15 Ca -0.02 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3bj1 h PHE 15 Cb 0.44 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3bj1 h PHE 15 CO -0.13 0.26 0.00 0.66 -0.60 0.00 0.00 178.31 178.50 3bj1 h SER 16 N 0.07 0.00 0.10 2.17 4.64 -0.98 -2.19 113.55 117.36 3bj1 h SER 16 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3bj1 h SER 16 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3bj1 h SER 16 CO 0.03 0.00 -0.75 0.29 -0.87 0.00 0.00 176.83 175.53 3bj1 n LYS 17 N -2.66 0.32 -3.50 4.77 5.02 -0.07 -4.97 118.16 117.07 3bj1 n LYS 17 Ca -0.01 -0.25 -0.37 0.00 -2.02 0.00 0.00 58.31 55.66 3bj1 n LYS 17 Cb 0.11 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 3bj1 n LYS 17 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bj1 s LEU 18 N -2.85 4.30 -0.59 -0.35 1.43 -0.83 -5.04 118.68 114.76 3bj1 s LEU 18 Ca 0.12 0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 53.60 3bj1 s LEU 18 Cb 0.17 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.95 3bj1 s LEU 18 CO 0.75 0.13 1.25 -0.62 0.23 0.00 0.00 176.35 178.09 3bj1 s ASP 19 N 0.15 6.36 0.33 2.29 -1.08 -1.26 -4.91 116.67 118.55 3bj1 s ASP 19 Ca 0.20 0.11 0.02 0.00 -0.52 0.00 0.00 52.55 52.36 3bj1 s ASP 19 Cb -0.14 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.38 3bj1 s ASP 19 CO 0.07 -1.56 1.97 1.88 0.52 0.00 0.00 175.17 178.05 3bj1 h TYR 20 N 9.91 0.88 0.14 -5.34 0.05 -1.96 0.15 116.97 120.80 3bj1 h TYR 20 Ca -0.26 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 3bj1 h TYR 20 Cb 1.06 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.51 3bj1 h TYR 20 CO 1.04 0.51 -0.07 1.49 -1.05 0.00 0.00 178.16 180.09 3bj1 h GLU 21 N 0.91 -0.19 0.14 4.88 4.81 -1.91 -0.43 114.58 122.80 3bj1 h GLU 21 Ca 0.30 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3bj1 h GLU 21 Cb 0.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3bj1 h GLU 21 CO -0.09 0.15 -0.16 0.00 -0.73 0.00 0.00 179.01 178.18 3bj1 h ALA 22 N 0.25 -0.30 -0.49 2.92 0.00 -1.85 -1.46 119.26 118.32 3bj1 h ALA 22 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3bj1 h ALA 22 Cb 0.42 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bj1 h ALA 22 CO 0.03 -0.70 0.05 0.28 0.00 0.00 0.00 179.25 178.92 3bj1 h VAL 23 N -0.34 1.26 -0.43 0.00 2.07 -0.81 -1.49 116.25 116.50 3bj1 h VAL 23 Ca 0.01 -0.98 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 3bj1 h VAL 23 Cb 0.33 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3bj1 h VAL 23 CO -0.05 0.35 -0.18 1.23 0.02 0.00 0.00 177.57 178.94 3bj1 h GLY 24 N 0.70 0.95 0.99 2.17 0.00 -1.06 0.18 103.07 107.00 3bj1 h GLY 24 Ca 0.15 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.53 3bj1 h GLY 24 CO 0.02 0.76 -0.19 -1.33 0.00 0.00 0.00 176.54 175.80 3bj1 h GLY 25 N 0.70 0.84 1.43 4.60 0.00 -1.24 -1.60 103.07 107.80 3bj1 h GLY 25 Ca 0.10 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 3bj1 h GLY 25 CO 0.06 0.69 0.01 0.00 0.00 0.00 0.00 176.54 177.30 3bj1 h ALA 26 N 0.79 1.20 -0.02 3.60 0.00 -1.15 -2.49 119.26 121.19 3bj1 h ALA 26 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3bj1 h ALA 26 Cb 0.74 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bj1 h ALA 26 CO 0.06 0.52 -0.02 1.15 0.00 0.00 0.00 179.25 180.96 3bj1 h THR 27 N 0.66 1.39 -0.55 0.00 2.02 -0.69 -0.98 112.91 114.75 3bj1 h THR 27 Ca 0.13 -1.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 3bj1 h THR 27 Cb 0.40 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3bj1 h THR 27 CO 0.01 0.31 0.06 0.25 0.37 0.00 0.00 175.52 176.53 3bj1 h LEU 28 N -0.42 0.90 -0.43 2.58 5.85 -1.31 -1.56 115.31 120.93 3bj1 h LEU 28 Ca 0.00 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3bj1 h LEU 28 Cb 0.52 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3bj1 h LEU 28 CO 0.01 0.96 0.28 0.00 -0.34 0.00 0.00 178.44 179.34 3bj1 h ALA 29 N 0.98 0.55 -0.38 1.25 0.00 -1.50 -0.56 119.26 119.60 3bj1 h ALA 29 Ca 0.16 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3bj1 h ALA 29 Cb 0.45 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3bj1 h ALA 29 CO 0.02 0.00 0.02 -0.09 0.00 0.00 0.00 179.25 179.20 3bj1 h ARG 30 N 0.58 0.13 -0.39 0.00 9.65 -0.92 -0.01 114.38 123.42 3bj1 h ARG 30 Ca 0.16 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3bj1 h ARG 30 Cb -0.06 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 3bj1 h ARG 30 CO -0.03 0.09 0.20 0.00 2.80 0.00 0.00 179.97 183.02 3bj1 h LEU 32 N 0.50 0.00 0.06 0.00 3.38 -0.73 0.41 115.31 118.92 3bj1 h LEU 32 Ca 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.83 3bj1 h LEU 32 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3bj1 h LEU 32 CO -0.02 0.11 -1.52 0.40 0.09 0.00 0.00 178.44 177.50 3bj1 h ILE 33 N 0.00 0.84 -0.13 1.22 2.04 -0.57 -3.28 117.51 117.63 3bj1 h ILE 33 Ca -0.00 -2.26 -0.21 0.00 1.00 0.00 0.00 64.86 63.39 3bj1 h ILE 33 Cb 0.33 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3bj1 h ILE 33 CO 0.01 0.56 -0.74 0.58 0.00 0.00 0.00 178.15 178.56 3bj1 h VAL 34 N -0.55 1.32 -2.48 1.67 2.07 -0.66 -3.37 116.25 114.26 3bj1 h VAL 34 Ca -0.37 -2.02 -0.60 0.00 0.82 0.00 0.00 66.70 64.53 3bj1 h VAL 34 Cb 1.61 2.01 -0.42 0.00 -1.52 0.00 0.00 31.29 32.97 3bj1 h VAL 34 CO -0.07 0.63 -0.64 -1.22 0.02 0.00 0.00 177.57 176.28 3bj1 n TYR 35 N -3.90 3.03 0.31 1.57 4.01 0.13 -4.98 117.16 117.33 3bj1 n TYR 35 Ca -0.06 -4.13 0.21 0.00 -0.16 0.00 0.00 57.90 53.76 3bj1 n TYR 35 Cb 0.72 -0.53 1.07 0.00 -0.31 0.00 0.00 39.34 40.29 3bj1 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3bj1 h PRO 36 N 4.62 0.00 0.00 -0.72 0.11 -1.73 -1.35 132.00 132.93 3bj1 h PRO 36 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3bj1 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 3bj1 h PRO 36 CO 0.75 0.00 -0.07 0.11 -0.21 0.00 0.00 178.00 178.58 3bj1 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -2.03 115.95 112.75 3bj1 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3bj1 h TRP 37 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.31 3bj1 h TRP 37 CO 0.00 0.07 0.00 1.79 0.09 0.00 0.00 178.44 180.39 3bj1 h THR 38 N 0.00 0.00 -0.47 0.12 1.35 -1.56 -2.51 112.91 109.83 3bj1 h THR 38 Ca -0.00 -0.28 0.13 0.00 -0.55 0.00 0.00 66.41 65.71 3bj1 h THR 38 Cb 0.31 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 3bj1 h THR 38 CO 0.01 0.00 0.34 1.56 -0.25 0.00 0.00 175.52 177.18 3bj1 h GLN 39 N 0.00 0.04 -0.99 4.72 4.20 -1.57 -2.83 115.11 118.69 3bj1 h GLN 39 Ca 0.00 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 3bj1 h GLN 39 Cb 0.34 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 3bj1 h GLN 39 CO 0.00 0.03 0.63 -0.09 -0.67 0.00 0.00 178.83 178.73 3bj1 h ARG 40 N 0.05 1.09 0.00 1.46 2.43 -1.66 -0.12 114.38 117.63 3bj1 h ARG 40 Ca 0.23 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3bj1 h ARG 40 Cb 0.84 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 3bj1 h ARG 40 CO -0.01 0.72 -0.02 1.88 -1.51 0.00 0.00 179.97 181.03 3bj1 h TYR 41 N 1.12 0.00 -0.79 2.20 0.05 -1.73 -3.00 116.97 114.82 3bj1 h TYR 41 Ca 0.44 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.68 3bj1 h TYR 41 Cb 0.23 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 37.65 3bj1 h TYR 41 CO -0.01 0.02 -0.04 1.19 -1.05 0.00 0.00 178.16 178.27 3bj1 n PHE 42 N -3.22 2.68 0.79 4.88 3.72 -0.06 -4.82 117.46 121.42 3bj1 n PHE 42 Ca -0.02 -2.42 0.06 0.00 -0.05 0.00 0.00 57.45 55.03 3bj1 n PHE 42 Cb 0.15 -0.79 0.38 0.00 -0.94 0.00 0.00 39.48 38.27 3bj1 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bj1 n GLY 43 N -0.86 -0.44 1.12 1.37 0.00 -1.14 -2.21 105.19 103.03 3bj1 n GLY 43 Ca 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 3bj1 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bj1 n ASN 44 N -1.03 2.75 -1.30 1.61 3.02 -1.26 -4.65 115.26 114.39 3bj1 n ASN 44 Ca 0.09 -3.78 0.03 0.00 -0.03 0.00 0.00 54.58 50.89 3bj1 n ASN 44 Cb 0.05 -0.46 0.28 0.00 -0.61 0.00 0.00 39.78 39.04 3bj1 n ASN 44 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3bj1 n PHE 45 N -0.94 1.45 -4.11 3.10 3.01 -0.94 -5.09 117.46 113.95 3bj1 n PHE 45 Ca 0.27 -1.07 0.00 0.00 1.01 0.00 0.00 57.45 57.66 3bj1 n PHE 45 Cb 0.80 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3bj1 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bj1 n GLY 46 N -0.43 0.61 3.68 1.37 0.00 -1.26 -4.73 105.19 104.43 3bj1 n GLY 46 Ca 0.29 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 3bj1 n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bj1 s ASN 47 N -4.00 7.13 -0.14 1.61 0.01 -1.26 -5.01 114.94 113.28 3bj1 s ASN 47 Ca 0.00 1.56 0.00 0.00 -0.71 0.00 0.00 52.86 53.71 3bj1 s ASN 47 Cb 0.00 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.14 3bj1 s ASN 47 CO 0.00 -0.58 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.13 3bj1 s LEU 48 N 2.58 1.61 0.00 0.60 1.43 -1.26 -4.35 118.68 119.29 3bj1 s LEU 48 Ca 0.49 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3bj1 s LEU 48 Cb -0.19 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.94 3bj1 s LEU 48 CO 0.15 -0.08 0.00 -3.20 0.23 0.00 0.00 176.35 173.44 3bj1 n ASN 50 N 4.81 0.00 -0.12 2.29 2.85 -1.26 -4.75 115.26 119.08 3bj1 n ASN 50 Ca -0.16 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.19 3bj1 n ASN 50 Cb 0.50 -1.04 -0.03 0.00 1.24 0.00 0.00 39.78 40.45 3bj1 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3bj1 h ALA 51 N 0.16 0.53 -0.11 5.20 0.00 -1.99 -1.74 119.26 121.31 3bj1 h ALA 51 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3bj1 h ALA 51 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3bj1 h ALA 51 CO 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 179.25 179.60 3bj1 h ALA 52 N 0.78 1.54 -0.00 0.00 0.00 -1.98 -0.42 119.26 119.17 3bj1 h ALA 52 Ca 0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3bj1 h ALA 52 Cb 0.80 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3bj1 h ALA 52 CO 0.07 0.33 -0.43 0.00 0.00 0.00 0.00 179.25 179.22 3bj1 h ALA 53 N 1.68 0.06 -0.73 0.00 0.00 -1.88 -1.87 119.26 116.52 3bj1 h ALA 53 Ca 0.03 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3bj1 h ALA 53 Cb 0.38 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3bj1 h ALA 53 CO 0.02 0.22 0.43 0.82 0.00 0.00 0.00 179.25 180.75 3bj1 h ILE 54 N -0.29 1.01 -0.28 0.00 2.04 -1.22 -1.89 117.51 116.89 3bj1 h ILE 54 Ca -0.05 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3bj1 h ILE 54 Cb 1.16 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3bj1 h ILE 54 CO 0.09 0.15 -0.18 0.24 0.00 0.00 0.00 178.15 178.44 3bj1 h MET 55 N 0.81 0.50 -0.64 2.37 2.86 -1.00 -2.80 114.93 117.03 3bj1 h MET 55 Ca 0.32 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3bj1 h MET 55 Cb 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3bj1 h MET 55 CO -0.17 0.66 0.00 0.41 1.06 0.00 0.00 176.91 178.88 3bj1 n GLY 56 N -0.51 2.12 3.62 8.32 0.00 -0.71 -4.94 105.19 113.09 3bj1 n GLY 56 Ca 0.00 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3bj1 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bj1 s ASN 57 N -0.95 6.72 0.26 1.61 3.84 -0.73 -4.93 114.94 120.77 3bj1 s ASN 57 Ca 0.43 0.75 0.03 0.00 0.21 0.00 0.00 52.86 54.29 3bj1 s ASN 57 Cb 0.24 -2.43 0.35 0.00 -0.55 0.00 0.00 41.25 38.86 3bj1 s ASN 57 CO 0.27 -0.66 1.65 1.55 -2.79 0.00 0.00 177.10 177.12 3bj1 h PRO 58 N 8.08 0.36 -0.04 0.43 0.13 -1.90 -1.53 132.00 137.54 3bj1 h PRO 58 Ca -0.24 -0.18 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 3bj1 h PRO 58 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3bj1 h PRO 58 CO 0.91 0.72 -0.45 0.52 -0.23 0.00 0.00 178.00 179.47 3bj1 h MET 59 N 0.30 0.09 -0.36 0.86 2.86 -1.92 0.35 114.93 117.10 3bj1 h MET 59 Ca 0.03 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3bj1 h MET 59 Cb 0.87 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3bj1 h MET 59 CO 0.07 0.52 -0.12 0.82 1.06 0.00 0.00 176.91 179.27 3bj1 h ILE 60 N 0.07 1.28 -0.34 -1.22 2.04 -1.76 -0.03 117.51 117.55 3bj1 h ILE 60 Ca 0.00 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.68 3bj1 h ILE 60 Cb 0.83 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3bj1 h ILE 60 CO 0.06 0.40 0.15 0.00 0.00 0.00 0.00 178.15 178.76 3bj1 h ALA 61 N 0.81 0.41 -0.46 1.87 0.00 -0.86 -0.98 119.26 120.06 3bj1 h ALA 61 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3bj1 h ALA 61 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3bj1 h ALA 61 CO 0.04 -0.23 0.23 -0.22 0.00 0.00 0.00 179.25 179.07 3bj1 h LYS 62 N 0.32 0.67 -0.08 0.00 3.11 -0.83 -2.56 116.57 117.21 3bj1 h LYS 62 Ca 0.15 -0.10 -0.16 0.00 -2.81 0.00 0.00 60.65 57.73 3bj1 h LYS 62 Cb 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.18 3bj1 h LYS 62 CO -0.12 0.56 -0.64 1.25 -2.81 0.00 0.00 179.45 177.70 3bj1 h HIS 63 N 0.61 0.38 -0.84 1.91 2.76 -0.83 -1.95 115.15 117.18 3bj1 h HIS 63 Ca 0.16 -0.15 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3bj1 h HIS 63 Cb 0.11 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3bj1 h HIS 63 CO -0.01 0.84 0.56 0.78 -1.30 0.00 0.00 177.93 178.80 3bj1 h GLY 64 N 1.44 1.19 0.95 5.26 0.00 -1.03 -1.78 103.07 109.09 3bj1 h GLY 64 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 3bj1 h GLY 64 CO 0.10 0.43 0.18 -0.84 0.00 0.00 0.00 176.54 176.40 3bj1 h THR 65 N 1.13 1.16 -0.71 4.70 2.02 -1.11 -2.54 112.91 117.56 3bj1 h THR 65 Ca 0.31 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 67.11 3bj1 h THR 65 Cb -0.11 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.04 3bj1 h THR 65 CO -0.07 0.17 0.40 0.74 0.37 0.00 0.00 175.52 177.12 3bj1 h THR 66 N 0.44 0.94 -0.21 3.16 2.02 -0.99 -1.93 112.91 116.35 3bj1 h THR 66 Ca 0.12 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3bj1 h THR 66 Cb 0.11 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3bj1 h THR 66 CO -0.02 0.13 0.11 0.40 0.37 0.00 0.00 175.52 176.51 3bj1 h ILE 67 N 0.71 1.00 -0.95 3.11 2.04 -1.12 -0.03 117.51 122.28 3bj1 h ILE 67 Ca 0.33 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.14 3bj1 h ILE 67 Cb 0.24 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3bj1 h ILE 67 CO -0.21 0.04 0.62 -0.07 0.00 0.00 0.00 178.15 178.53 3bj1 h LEU 68 N 0.23 1.04 -1.19 1.44 -0.00 -1.05 0.56 115.31 116.35 3bj1 h LEU 68 Ca 0.08 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.88 3bj1 h LEU 68 Cb 0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.42 3bj1 h LEU 68 CO -0.05 0.72 -0.25 0.45 -0.00 0.00 0.00 178.44 179.31 3bj1 h HIS 69 N 1.21 0.27 -0.52 1.13 3.86 -1.16 0.27 115.15 120.21 3bj1 h HIS 69 Ca 0.37 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.48 3bj1 h HIS 69 Cb -0.03 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 3bj1 h HIS 69 CO -0.01 0.49 0.13 0.78 0.86 0.00 0.00 177.93 180.18 3bj1 h GLY 70 N 0.96 0.89 0.97 2.45 0.00 0.43 -1.28 103.07 107.50 3bj1 h GLY 70 Ca 0.04 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3bj1 h GLY 70 CO 0.04 0.51 -0.05 1.41 0.00 0.00 0.00 176.54 178.45 3bj1 h LEU 71 N 0.72 0.76 -1.30 3.11 3.38 -0.57 -2.83 115.31 118.58 3bj1 h LEU 71 Ca 0.16 -0.34 0.18 0.00 0.09 0.00 0.00 57.88 57.98 3bj1 h LEU 71 Cb 0.32 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3bj1 h LEU 71 CO 0.00 0.92 0.60 -0.78 0.09 0.00 0.00 178.44 179.27 3bj1 h ASP 72 N 0.59 0.59 -0.41 -0.43 3.58 -0.66 -0.46 116.42 119.23 3bj1 h ASP 72 Ca 0.11 0.06 0.05 0.00 0.42 0.00 0.00 57.03 57.67 3bj1 h ASP 72 Cb 0.56 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 3bj1 h ASP 72 CO 0.03 0.25 0.14 -0.09 -2.88 0.00 0.00 179.24 176.69 3bj1 h ARG 73 N 0.59 0.29 -0.81 0.28 2.43 -0.98 -0.62 114.38 115.57 3bj1 h ARG 73 Ca 0.50 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 3bj1 h ARG 73 Cb 0.97 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 3bj1 h ARG 73 CO -0.24 0.19 0.46 0.00 -1.51 0.00 0.00 179.97 178.88 3bj1 h ALA 74 N 1.27 1.03 -0.94 2.80 0.00 -1.12 -2.44 119.26 119.86 3bj1 h ALA 74 Ca 0.19 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.15 3bj1 h ALA 74 Cb 0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3bj1 h ALA 74 CO -0.20 0.52 0.60 0.28 0.00 0.00 0.00 179.25 180.45 3bj1 h VAL 75 N 1.11 0.81 -0.00 0.00 2.07 -0.55 -1.18 116.25 118.51 3bj1 h VAL 75 Ca 0.29 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3bj1 h VAL 75 Cb -0.01 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3bj1 h VAL 75 CO -0.05 0.14 -0.13 0.29 0.02 0.00 0.00 177.57 177.84 3bj1 n LYS 76 N -4.61 0.54 -2.64 1.57 5.02 -0.32 -4.04 118.16 113.69 3bj1 n LYS 76 Ca 0.19 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3bj1 n LYS 76 Cb 0.48 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3bj1 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bj1 n ASN 77 N -1.07 2.18 -0.26 4.39 3.02 -0.50 -4.97 115.26 118.05 3bj1 n ASN 77 Ca 0.13 -2.69 0.21 0.00 -0.03 0.00 0.00 54.58 52.20 3bj1 n ASN 77 Cb 0.29 -0.49 0.52 0.00 -0.61 0.00 0.00 39.78 39.49 3bj1 n ASN 77 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3bj1 h MET 78 N 2.74 0.37 -0.51 3.52 2.86 -1.55 0.18 114.93 122.54 3bj1 h MET 78 Ca -0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3bj1 h MET 78 Cb 1.21 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.79 3bj1 h MET 78 CO 0.45 0.25 0.00 -0.25 1.06 0.00 0.00 176.91 178.42 3bj1 n ASP 79 N -4.52 2.90 -2.77 1.22 8.00 -1.26 -4.22 116.55 115.89 3bj1 n ASP 79 Ca 0.21 -1.98 -0.01 0.00 0.71 0.00 0.00 54.79 53.72 3bj1 n ASP 79 Cb 0.76 -0.34 0.08 0.00 -0.02 0.00 0.00 41.12 41.60 3bj1 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3bj1 n ASN 80 N 1.09 0.45 -0.13 -2.24 5.15 0.60 -4.96 115.26 115.23 3bj1 n ASN 80 Ca 0.18 -2.11 -0.12 0.00 -0.60 0.00 0.00 54.58 51.93 3bj1 n ASN 80 Cb 0.47 -0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 3bj1 n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3bj1 h ILE 81 N 4.92 1.28 0.10 -1.44 2.04 -1.68 -1.99 117.51 120.75 3bj1 h ILE 81 Ca -0.25 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.31 3bj1 h ILE 81 Cb 1.28 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 3bj1 h ILE 81 CO 0.06 0.44 -0.22 0.50 0.00 0.00 0.00 178.15 178.92 3bj1 h LYS 82 N 0.60 -0.39 -0.63 2.37 3.64 -1.91 -1.08 116.57 119.17 3bj1 h LYS 82 Ca 0.08 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3bj1 h LYS 82 Cb 0.74 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3bj1 h LYS 82 CO 0.06 -0.26 0.28 0.00 -2.27 0.00 0.00 179.45 177.26 3bj1 h ALA 83 N 0.38 1.31 -0.42 5.00 0.00 -1.96 -2.27 119.26 121.31 3bj1 h ALA 83 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bj1 h ALA 83 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3bj1 h ALA 83 CO -0.13 0.53 0.22 1.15 0.00 0.00 0.00 179.25 181.01 3bj1 h THR 84 N 0.90 1.13 -0.72 0.00 2.02 -0.84 -2.09 112.91 113.30 3bj1 h THR 84 Ca 0.22 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3bj1 h THR 84 Cb 0.12 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3bj1 h THR 84 CO -0.03 0.15 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 3bj1 n TYR 85 N -4.42 1.03 -0.13 3.16 4.02 -0.46 -4.66 117.16 115.70 3bj1 n TYR 85 Ca 0.03 -0.51 -0.05 0.00 -0.01 0.00 0.00 57.90 57.36 3bj1 n TYR 85 Cb 0.10 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.43 3bj1 n TYR 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3bj1 h ALA 86 N 4.23 0.52 -0.31 -0.72 0.00 -0.82 -0.04 119.26 122.12 3bj1 h ALA 86 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3bj1 h ALA 86 Cb 1.04 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3bj1 h ALA 86 CO 0.03 -0.22 -0.43 0.93 0.00 0.00 0.00 179.25 179.56 3bj1 h GLU 87 N 0.34 0.83 -0.76 0.00 4.39 -1.83 -2.80 114.58 114.76 3bj1 h GLU 87 Ca 0.20 -0.49 0.02 0.00 0.34 0.00 0.00 59.36 59.43 3bj1 h GLU 87 Cb 0.17 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3bj1 h GLU 87 CO -0.19 1.12 0.51 -0.07 -1.16 0.00 0.00 179.01 179.22 3bj1 h LEU 88 N 0.61 0.85 -0.47 1.33 3.38 -1.78 -0.46 115.31 118.78 3bj1 h LEU 88 Ca 0.03 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3bj1 h LEU 88 Cb 1.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3bj1 h LEU 88 CO 0.10 0.61 0.11 -1.28 0.09 0.00 0.00 178.44 178.07 3bj1 h SER 89 N 1.00 0.71 -0.61 -0.43 0.87 -0.92 -0.05 113.55 114.12 3bj1 h SER 89 Ca 0.29 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3bj1 h SER 89 Cb -0.07 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 3bj1 h SER 89 CO -0.07 0.76 0.39 0.58 -0.53 0.00 0.00 176.83 177.96 3bj1 h VAL 90 N 0.63 1.17 0.36 2.23 2.07 -1.13 -0.86 116.25 120.72 3bj1 h VAL 90 Ca 0.15 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3bj1 h VAL 90 Cb 0.33 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3bj1 h VAL 90 CO 0.00 0.16 -0.21 0.25 0.02 0.00 0.00 177.57 177.79 3bj1 h LEU 91 N 0.83 -0.52 -0.96 2.57 5.85 -0.87 0.18 115.31 122.38 3bj1 h LEU 91 Ca 0.22 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3bj1 h LEU 91 Cb -0.07 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3bj1 h LEU 91 CO -0.05 -0.34 -0.07 0.45 -0.34 0.00 0.00 178.44 178.09 3bj1 h HIS 92 N -0.54 0.00 0.00 1.25 3.86 -0.84 0.77 115.15 119.65 3bj1 h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 3bj1 h HIS 92 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 3bj1 h HIS 92 CO -0.08 0.07 -0.45 0.45 0.86 0.00 0.00 177.93 178.77 3bj1 n SER 93 N -3.16 0.90 0.13 2.45 2.88 -0.34 -1.32 113.62 115.15 3bj1 n SER 93 Ca 0.01 0.16 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 3bj1 n SER 93 Cb 0.41 -0.61 0.20 0.00 -0.75 0.00 0.00 64.21 63.46 3bj1 n SER 93 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3bj1 h GLU 94 N -0.46 0.08 0.02 -1.46 3.07 -0.81 -1.27 114.58 113.74 3bj1 h GLU 94 Ca 0.00 -0.05 -0.40 0.00 -0.50 0.00 0.00 59.36 58.41 3bj1 h GLU 94 Cb 0.45 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.31 3bj1 h GLU 94 CO 0.00 0.60 -2.35 1.17 -1.40 0.00 0.00 179.01 177.03 3bj1 n LYS 95 N -3.90 0.64 0.02 2.33 4.81 -1.04 -4.65 118.16 116.37 3bj1 n LYS 95 Ca -0.02 0.23 0.11 0.00 -0.87 0.00 0.00 58.31 57.77 3bj1 n LYS 95 Cb 0.56 -1.55 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 3bj1 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3bj1 n LEU 96 N -3.69 0.32 -3.81 3.14 4.77 0.24 -4.99 117.00 112.96 3bj1 n LEU 96 Ca -0.46 0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 3bj1 n LEU 96 Cb 0.94 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 42.03 3bj1 n LEU 96 CO 0.20 -0.04 -0.04 1.41 -1.33 0.00 0.00 177.39 177.60 3bj1 n HIS 97 N -2.31 -1.98 -2.51 -1.77 8.25 -0.48 -4.92 115.22 109.51 3bj1 n HIS 97 Ca -0.02 0.85 -0.43 0.00 -0.26 0.00 0.00 57.72 57.85 3bj1 n HIS 97 Cb 0.54 -4.14 -0.02 0.00 1.12 0.00 0.00 29.99 27.49 3bj1 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bj1 s VAL 98 N -3.60 4.32 0.18 1.59 1.01 -0.43 -4.98 120.40 118.49 3bj1 s VAL 98 Ca 0.21 1.54 -0.33 0.00 0.00 0.00 0.00 61.98 63.40 3bj1 s VAL 98 Cb -0.11 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.92 3bj1 s VAL 98 CO 0.83 -0.39 1.46 -0.67 0.00 0.00 0.00 175.10 176.33 3bj1 n ASP 99 N 7.09 2.69 0.30 3.32 -0.08 -1.26 -4.83 116.55 123.78 3bj1 n ASP 99 Ca 0.14 1.11 0.19 0.00 -1.51 0.00 0.00 54.79 54.72 3bj1 n ASP 99 Cb 0.46 -1.39 0.93 0.00 2.34 0.00 0.00 41.12 43.47 3bj1 n ASP 99 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3bj1 h PRO 100 N 4.93 0.00 -1.00 -0.67 0.13 -1.97 -1.41 132.00 132.01 3bj1 h PRO 100 Ca -0.45 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.88 3bj1 h PRO 100 Cb 1.28 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.30 3bj1 h PRO 100 CO 0.81 0.02 0.61 -0.44 -0.23 0.00 0.00 178.00 178.77 3bj1 h ASP 101 N 0.00 0.74 -0.20 1.44 3.32 -2.02 -1.79 116.42 117.91 3bj1 h ASP 101 Ca -0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3bj1 h ASP 101 Cb 0.26 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3bj1 h ASP 101 CO 0.00 0.23 0.14 0.78 -1.72 0.00 0.00 179.24 178.67 3bj1 h ASN 102 N 0.70 0.16 -0.24 6.45 2.35 -1.61 -1.40 115.58 121.99 3bj1 h ASN 102 Ca 0.59 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.27 3bj1 h ASN 102 Cb 1.00 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3bj1 h ASN 102 CO -0.38 0.11 -0.06 -0.26 -1.65 0.00 0.00 177.43 175.19 3bj1 h PHE 103 N 0.19 0.64 -0.27 1.19 0.04 -1.47 -1.71 116.94 115.55 3bj1 h PHE 103 Ca 0.08 -0.09 -0.19 0.00 2.80 0.00 0.00 57.97 60.57 3bj1 h PHE 103 Cb 0.10 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.08 3bj1 h PHE 103 CO -0.00 0.65 -0.58 0.87 -0.60 0.00 0.00 178.31 178.65 3bj1 h LYS 104 N 0.56 0.86 -0.36 1.51 1.79 -1.30 -1.16 116.57 118.47 3bj1 h LYS 104 Ca 0.11 -0.57 0.03 0.00 -2.18 0.00 0.00 60.65 58.04 3bj1 h LYS 104 Cb 0.45 0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 3bj1 h LYS 104 CO 0.02 1.20 0.16 -0.07 -1.08 0.00 0.00 179.45 179.68 3bj1 h LEU 105 N 0.65 0.21 -0.54 2.94 3.38 -1.27 -0.00 115.31 120.68 3bj1 h LEU 105 Ca 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3bj1 h LEU 105 Cb 1.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3bj1 h LEU 105 CO 0.13 0.16 -0.03 0.25 0.09 0.00 0.00 178.44 179.04 3bj1 h LEU 106 N 0.33 0.96 -0.59 1.67 5.85 -1.18 -1.81 115.31 120.54 3bj1 h LEU 106 Ca 0.16 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3bj1 h LEU 106 Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3bj1 h LEU 106 CO -0.13 1.05 0.35 0.28 -0.34 0.00 0.00 178.44 179.65 3bj1 h SER 107 N 0.85 0.57 -0.57 1.25 0.02 -0.91 0.75 113.55 115.51 3bj1 h SER 107 Ca 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3bj1 h SER 107 Cb 0.57 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3bj1 h SER 107 CO 0.03 0.39 0.31 0.44 -1.14 0.00 0.00 176.83 176.87 3bj1 h ASP 108 N 0.69 0.72 -0.30 3.07 3.32 -0.84 -0.13 116.42 122.96 3bj1 h ASP 108 Ca 0.24 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3bj1 h ASP 108 Cb 0.04 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3bj1 h ASP 108 CO -0.11 0.61 0.18 0.00 -1.72 0.00 0.00 179.24 178.20 3bj1 h LEU 110 N 0.37 -0.05 -0.75 0.00 5.85 -0.67 -1.04 115.31 119.03 3bj1 h LEU 110 Ca 0.11 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3bj1 h LEU 110 Cb -0.02 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3bj1 h LEU 110 CO -0.04 0.01 0.46 0.74 -0.34 0.00 0.00 178.44 179.27 3bj1 h THR 111 N 0.17 1.06 -0.26 1.05 2.02 -0.73 0.17 112.91 116.38 3bj1 h THR 111 Ca 0.19 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.91 3bj1 h THR 111 Cb 0.24 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3bj1 h THR 111 CO -0.27 0.16 -0.45 0.40 0.37 0.00 0.00 175.52 175.74 3bj1 h ILE 112 N 0.88 1.30 -0.29 3.11 2.04 -1.03 0.12 117.51 123.64 3bj1 h ILE 112 Ca 0.32 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.53 3bj1 h ILE 112 Cb 0.09 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3bj1 h ILE 112 CO -0.14 0.52 0.15 0.58 0.00 0.00 0.00 178.15 179.26 3bj1 h VAL 113 N 0.54 1.13 -0.52 1.67 2.07 -0.75 -1.95 116.25 118.45 3bj1 h VAL 113 Ca 0.04 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3bj1 h VAL 113 Cb 0.99 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3bj1 h VAL 113 CO 0.09 0.13 0.25 0.58 0.02 0.00 0.00 177.57 178.64 3bj1 h VAL 114 N 0.34 1.20 -0.56 2.57 2.07 -0.40 -2.63 116.25 118.83 3bj1 h VAL 114 Ca 0.10 -0.55 0.10 0.00 0.82 0.00 0.00 66.70 67.16 3bj1 h VAL 114 Cb 0.08 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3bj1 h VAL 114 CO -0.02 0.22 0.15 0.00 0.02 0.00 0.00 177.57 177.94 3bj1 h ALA 115 N 1.09 0.68 -0.44 1.67 0.00 -0.70 0.12 119.26 121.68 3bj1 h ALA 115 Ca 0.18 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3bj1 h ALA 115 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bj1 h ALA 115 CO -0.02 -0.27 -0.15 0.00 0.00 0.00 0.00 179.25 178.81 3bj1 h ALA 116 N 1.42 0.93 0.02 0.00 0.00 -1.12 -0.87 119.26 119.64 3bj1 h ALA 116 Ca 0.29 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bj1 h ALA 116 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bj1 h ALA 116 CO -0.34 0.62 -0.01 0.37 0.00 0.00 0.00 179.25 179.89 3bj1 h GLN 117 N 0.72 -0.03 0.00 0.00 4.15 -1.15 -3.33 115.11 115.48 3bj1 h GLN 117 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3bj1 h GLN 117 Cb 0.65 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3bj1 h GLN 117 CO 0.05 0.54 0.00 -0.07 -1.93 0.00 0.00 178.83 177.42 3bj1 h LEU 118 N -0.62 0.00 0.00 -2.39 3.38 -0.96 -3.48 115.31 111.24 3bj1 h LEU 118 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bj1 h LEU 118 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3bj1 h LEU 118 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3bj1 n GLY 119 N 1.15 3.32 0.27 0.83 0.00 -0.34 -2.66 105.19 107.76 3bj1 n GLY 119 Ca 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.14 3bj1 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3bj1 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.94 -0.64 116.57 119.25 3bj1 h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3bj1 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3bj1 h LYS 120 CO 0.00 0.09 -0.05 0.00 -2.27 0.00 0.00 179.45 177.22 3bj1 h ALA 121 N 1.91 1.10 -0.48 5.00 0.00 -1.91 -3.31 119.26 121.58 3bj1 h ALA 121 Ca -0.00 -0.04 -0.73 0.00 0.00 0.00 0.00 54.91 54.13 3bj1 h ALA 121 Cb 0.42 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 3bj1 h ALA 121 CO 0.01 0.06 2.59 0.34 0.00 0.00 0.00 179.25 182.25 3bj1 n PHE 122 N -3.29 3.13 -1.65 0.00 7.35 -0.25 -4.86 117.46 117.88 3bj1 n PHE 122 Ca -0.01 -2.88 -0.29 0.00 -0.76 0.00 0.00 57.45 53.50 3bj1 n PHE 122 Cb 0.21 -2.21 0.15 0.00 0.35 0.00 0.00 39.48 37.98 3bj1 n PHE 122 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 3bj1 s SER 123 N 1.83 3.36 0.24 -2.13 1.04 -1.25 -4.70 113.70 112.09 3bj1 s SER 123 Ca 0.45 0.74 -0.06 0.00 0.48 0.00 0.00 55.95 57.56 3bj1 s SER 123 Cb 0.12 -1.14 0.32 0.00 0.10 0.00 0.00 66.02 65.42 3bj1 s SER 123 CO -0.04 -2.62 1.86 1.23 0.98 0.00 0.00 173.24 174.64 3bj1 h GLY 124 N -1.55 1.29 1.41 7.32 0.00 -1.93 0.71 103.07 110.32 3bj1 h GLY 124 Ca -0.48 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.36 3bj1 h GLY 124 CO 0.55 0.28 -0.22 -2.09 0.00 0.00 0.00 176.54 175.06 3bj1 h GLU 125 N 0.99 0.68 -0.11 4.80 4.81 -1.98 -0.17 114.58 123.61 3bj1 h GLU 125 Ca 0.37 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3bj1 h GLU 125 Cb 0.14 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3bj1 h GLU 125 CO -0.16 0.84 -0.00 0.28 -0.73 0.00 0.00 179.01 179.23 3bj1 h VAL 126 N 0.60 1.26 -0.79 0.32 2.07 -1.76 -2.80 116.25 115.15 3bj1 h VAL 126 Ca 0.09 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3bj1 h VAL 126 Cb 0.69 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3bj1 h VAL 126 CO 0.05 0.24 0.52 -0.61 0.02 0.00 0.00 177.57 177.79 3bj1 h GLN 127 N -0.08 0.83 -0.56 1.57 4.15 -0.70 -1.22 115.11 119.09 3bj1 h GLN 127 Ca 0.03 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.40 3bj1 h GLN 127 Cb 0.37 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 3bj1 h GLN 127 CO 0.01 0.55 0.34 0.00 -1.93 0.00 0.00 178.83 177.80 3bj1 h ALA 128 N 1.57 0.72 -0.28 3.38 0.00 -0.80 0.31 119.26 124.16 3bj1 h ALA 128 Ca 0.34 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3bj1 h ALA 128 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bj1 h ALA 128 CO -0.12 0.19 -0.09 0.00 0.00 0.00 0.00 179.25 179.24 3bj1 h ALA 129 N 1.17 0.38 -0.45 0.00 0.00 -1.20 -0.95 119.26 118.22 3bj1 h ALA 129 Ca 0.20 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3bj1 h ALA 129 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3bj1 h ALA 129 CO -0.04 0.21 0.25 0.35 0.00 0.00 0.00 179.25 180.03 3bj1 h PHE 130 N 0.29 0.47 -0.40 0.00 -0.00 -0.88 -1.70 116.94 114.71 3bj1 h PHE 130 Ca 0.07 0.02 -0.09 0.00 -0.00 0.00 0.00 57.97 57.96 3bj1 h PHE 130 Cb 0.58 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 36.36 3bj1 h PHE 130 CO 0.05 0.26 -0.12 0.37 -0.00 0.00 0.00 178.31 178.87 3bj1 h GLN 131 N 0.50 0.72 0.06 1.11 5.75 -0.32 -0.96 115.11 121.97 3bj1 h GLN 131 Ca 0.18 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3bj1 h GLN 131 Cb 0.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3bj1 h GLN 131 CO -0.10 0.82 -0.07 -0.22 -2.65 0.00 0.00 178.83 176.61 3bj1 h LYS 132 N 0.65 -0.14 -0.17 1.69 3.64 -0.73 0.19 116.57 121.70 3bj1 h LYS 132 Ca 0.11 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3bj1 h LYS 132 Cb 0.58 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 3bj1 h LYS 132 CO 0.04 -0.10 -0.17 0.35 -2.27 0.00 0.00 179.45 177.30 3bj1 h PHE 133 N -0.15 -0.44 -0.62 1.91 3.57 -1.09 -0.97 116.94 119.15 3bj1 h PHE 133 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3bj1 h PHE 133 Cb 0.15 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3bj1 h PHE 133 CO -0.10 -0.25 0.32 -0.07 -2.23 0.00 0.00 178.31 175.98 3bj1 h LEU 134 N -0.20 0.77 -0.80 0.59 3.38 -1.05 -0.69 115.31 117.31 3bj1 h LEU 134 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3bj1 h LEU 134 Cb 0.36 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3bj1 h LEU 134 CO -0.29 0.63 0.51 0.28 0.09 0.00 0.00 178.44 179.66 3bj1 h SER 135 N 0.86 0.95 -0.23 -0.43 0.02 -0.45 0.51 113.55 114.78 3bj1 h SER 135 Ca 0.22 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3bj1 h SER 135 Cb 0.05 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3bj1 h SER 135 CO -0.03 0.71 -0.10 0.58 -1.14 0.00 0.00 176.83 176.86 3bj1 h VAL 136 N 1.10 1.30 0.01 2.27 2.07 -0.37 -1.06 116.25 121.56 3bj1 h VAL 136 Ca 0.29 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.67 3bj1 h VAL 136 Cb -0.08 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3bj1 h VAL 136 CO -0.06 0.35 -0.06 0.58 0.02 0.00 0.00 177.57 178.41 3bj1 h VAL 137 N 0.19 0.85 -0.41 2.57 2.07 -0.93 -0.07 116.25 120.52 3bj1 h VAL 137 Ca 0.05 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 3bj1 h VAL 137 Cb 0.58 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3bj1 h VAL 137 CO 0.03 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 178.03 3bj1 h VAL 138 N -0.11 1.26 -0.82 2.57 2.07 -0.88 -0.03 116.25 120.31 3bj1 h VAL 138 Ca 0.02 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.30 3bj1 h VAL 138 Cb 0.13 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3bj1 h VAL 138 CO -0.05 0.42 0.54 -1.28 0.02 0.00 0.00 177.57 177.22 3bj1 h SER 139 N 0.68 0.91 1.13 0.57 0.87 -0.97 -1.24 113.55 115.51 3bj1 h SER 139 Ca 0.10 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3bj1 h SER 139 Cb 0.67 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3bj1 h SER 139 CO 0.05 0.65 -0.27 0.00 -0.53 0.00 0.00 176.83 176.73 3bj1 h ALA 140 N 1.32 0.94 0.00 6.23 0.00 -0.28 -3.28 119.26 124.19 3bj1 h ALA 140 Ca 0.31 -0.25 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 3bj1 h ALA 140 Cb -0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3bj1 h ALA 140 CO -0.09 0.34 -1.24 -0.07 0.00 0.00 0.00 179.25 178.19 3bj1 h LEU 141 N 0.00 0.00-10.37 0.00 3.38 -0.65 -3.41 115.31 104.26 3bj1 h LEU 141 Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.51 3bj1 h LEU 141 Cb 0.91 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.82 3bj1 h LEU 141 CO 0.04 0.83 0.20 -0.83 0.09 0.00 0.00 178.44 178.77 3bj1 s GLY 142 N -4.82 1.57 0.22 0.83 0.00 -0.50 -4.27 107.32 100.35 3bj1 s GLY 142 Ca -0.01 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.03 3bj1 s GLY 142 CO 0.81 0.24 1.24 1.17 0.00 0.00 0.00 173.10 176.55 3bj1 n LYS 143 N -4.15 1.56 -3.40 2.90 4.81 -1.26 -4.88 118.16 113.73 3bj1 n LYS 143 Ca 0.05 0.55 -0.39 0.00 -0.87 0.00 0.00 58.31 57.65 3bj1 n LYS 143 Cb 0.57 -2.09 -0.09 0.00 0.02 0.00 0.00 35.03 33.44 3bj1 n LYS 143 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3bj1 s GLN 144 N -0.62 3.90 0.00 1.64 -1.52 -1.26 -4.93 119.66 116.87 3bj1 s GLN 144 Ca 0.68 -0.09 0.19 0.00 -1.95 0.00 0.00 55.36 54.20 3bj1 s GLN 144 Cb -0.74 -3.69 -0.17 0.00 -0.22 0.00 0.00 33.01 28.18 3bj1 s GLN 144 CO 0.53 -0.34 0.84 0.66 -0.25 0.00 0.00 175.29 176.73 3bj1 n TYR 145 N 5.35 0.00 -0.44 0.91 4.01 -1.26 -5.17 117.16 120.56 3bj1 n TYR 145 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3bj1 n TYR 145 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 3bj1 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12