#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mb2 s LEU 2 N 0.00 0.38 -0.05 -0.89 0.20 -1.26 -5.13 118.68 111.93 3mb2 s LEU 2 Ca 0.00 -0.41 0.04 0.00 0.69 0.00 0.00 54.13 54.45 3mb2 s LEU 2 Cb 0.00 -0.26 -0.00 0.00 -0.43 0.00 0.00 46.19 45.50 3mb2 s LEU 2 CO 0.00 -0.31 -0.16 -0.22 -0.29 0.00 0.00 176.35 175.37 3mb2 s LEU 3 N 2.11 1.88 0.01 -0.68 0.20 -1.26 -2.25 118.68 118.69 3mb2 s LEU 3 Ca 0.03 -0.34 0.04 0.00 0.69 0.00 0.00 54.13 54.55 3mb2 s LEU 3 Cb -0.15 -0.94 -0.03 0.00 -0.43 0.00 0.00 46.19 44.64 3mb2 s LEU 3 CO -0.07 0.13 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.27 3mb2 s LEU 4 N 0.13 3.02 -0.15 -0.68 1.43 0.21 -4.99 118.68 117.65 3mb2 s LEU 4 Ca -0.06 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3mb2 s LEU 4 Cb -0.12 -1.74 0.04 0.00 0.03 0.00 0.00 46.19 44.40 3mb2 s LEU 4 CO 0.02 0.28 -0.05 -0.60 0.23 0.00 0.00 176.35 176.23 3mb2 s ARG 5 N -1.40 1.36 -0.12 1.70 3.52 -1.26 -0.86 118.95 121.89 3mb2 s ARG 5 Ca 0.16 -0.41 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 3mb2 s ARG 5 Cb -0.11 -1.85 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 3mb2 s ARG 5 CO 0.07 -0.40 0.25 0.42 -0.81 0.00 0.00 175.30 174.83 3mb2 s ILE 6 N 1.69 5.32 -0.18 4.11 1.01 -0.22 -4.99 121.20 127.94 3mb2 s ILE 6 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.14 3mb2 s ILE 6 Cb -0.15 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.78 3mb2 s ILE 6 CO -0.08 0.51 -0.17 -0.89 0.00 0.00 0.00 174.94 174.31 3mb2 s THR 7 N -0.35 2.35 0.10 2.92 2.01 -1.26 -0.55 115.64 120.85 3mb2 s THR 7 Ca 0.17 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3mb2 s THR 7 Cb -0.13 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3mb2 s THR 7 CO 0.05 0.52 0.07 0.00 -0.69 0.00 0.00 174.62 174.57 3mb2 s MET 8 N 1.16 0.81 0.34 4.92 0.23 -0.20 -5.00 119.30 121.56 3mb2 s MET 8 Ca 0.01 -1.25 -0.29 0.00 -1.03 0.00 0.00 55.69 53.14 3mb2 s MET 8 Cb -0.14 0.26 -0.11 0.00 -1.53 0.00 0.00 34.83 33.31 3mb2 s MET 8 CO -0.08 -0.22 1.41 -0.51 -2.03 0.00 0.00 175.02 173.59 3mb2 s LEU 9 N -2.96 4.37 0.69 0.18 1.43 -1.26 0.32 118.68 121.45 3mb2 s LEU 9 Ca 0.14 2.85 -0.16 0.00 -1.03 0.00 0.00 54.13 55.92 3mb2 s LEU 9 Cb 0.07 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 3mb2 s LEU 9 CO -0.05 -0.71 0.79 -0.62 0.23 0.00 0.00 176.35 175.99 3mb2 n GLU 10 N 0.90 0.49 0.00 1.70 1.02 0.10 -4.45 120.64 120.40 3mb2 n GLU 10 Ca 0.02 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3mb2 n GLU 10 Cb 0.40 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 3mb2 n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mb2 n GLY 11 N 1.35 1.30 3.92 0.62 0.00 -1.26 -4.95 105.19 106.17 3mb2 n GLY 11 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3mb2 n GLY 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mb2 s ARG 12 N -0.25 3.57 0.71 1.61 1.81 -1.26 -5.06 118.95 120.09 3mb2 s ARG 12 Ca 0.00 -0.18 -0.14 0.00 -1.72 0.00 0.00 55.73 53.69 3mb2 s ARG 12 Cb 0.00 -2.74 0.03 0.00 -0.45 0.00 0.00 34.95 31.79 3mb2 s ARG 12 CO 0.00 0.30 1.15 -1.54 -0.68 0.00 0.00 175.30 174.53 3mb2 s SER 13 N -3.19 4.55 0.22 0.23 1.04 -1.26 -4.86 113.70 110.43 3mb2 s SER 13 Ca 0.41 2.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.89 3mb2 s SER 13 Cb -0.11 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.78 3mb2 s SER 13 CO 0.30 -2.01 1.73 0.74 0.98 0.00 0.00 173.24 174.97 3mb2 h THR 14 N -0.34 0.70 -0.31 2.02 2.02 -1.99 -1.69 112.91 113.32 3mb2 h THR 14 Ca -0.46 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 3mb2 h THR 14 Cb 1.26 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3mb2 h THR 14 CO 0.51 0.07 -0.23 1.05 0.37 0.00 0.00 175.52 177.29 3mb2 h GLU 15 N 0.38 0.70 -0.83 6.66 9.09 -1.99 -2.23 114.58 126.36 3mb2 h GLU 15 Ca 0.34 -0.34 0.03 0.00 0.05 0.00 0.00 59.36 59.43 3mb2 h GLU 15 Cb 0.47 -0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.52 3mb2 h GLU 15 CO -0.36 0.95 0.53 1.96 0.05 0.00 0.00 179.01 182.15 3mb2 h GLN 16 N 0.45 1.02 -0.55 1.06 4.20 -1.88 -0.49 115.11 118.93 3mb2 h GLN 16 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3mb2 h GLN 16 Cb 0.79 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3mb2 h GLN 16 CO 0.06 0.68 0.27 0.87 -0.67 0.00 0.00 178.83 180.04 3mb2 h LYS 17 N 1.05 0.79 -0.22 1.46 1.57 -1.08 -1.36 116.57 118.79 3mb2 h LYS 17 Ca 0.32 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3mb2 h LYS 17 Cb -0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3mb2 h LYS 17 CO -0.10 0.64 -0.25 0.00 -0.57 0.00 0.00 179.45 179.17 3mb2 h ALA 18 N 1.11 1.17 -0.43 3.86 0.00 -1.06 -2.67 119.26 121.23 3mb2 h ALA 18 Ca 0.19 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3mb2 h ALA 18 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mb2 h ALA 18 CO -0.02 0.53 0.13 0.93 0.00 0.00 0.00 179.25 180.82 3mb2 h GLU 19 N 0.36 0.68 -0.89 0.00 4.39 -0.30 -2.12 114.58 116.70 3mb2 h GLU 19 Ca 0.05 -0.15 0.08 0.00 0.34 0.00 0.00 59.36 59.68 3mb2 h GLU 19 Cb 0.64 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.13 3mb2 h GLU 19 CO 0.05 0.67 0.55 -0.07 -1.16 0.00 0.00 179.01 179.04 3mb2 h LEU 20 N 0.56 0.84 -0.16 1.33 3.38 -1.02 0.68 115.31 120.91 3mb2 h LEU 20 Ca 0.14 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 3mb2 h LEU 20 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mb2 h LEU 20 CO -0.00 0.52 -0.96 0.00 0.09 0.00 0.00 178.44 178.09 3mb2 h ALA 21 N 1.44 0.36 -0.16 1.53 0.00 -1.37 0.10 119.26 121.16 3mb2 h ALA 21 Ca 0.40 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3mb2 h ALA 21 Cb 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mb2 h ALA 21 CO -0.20 0.83 -0.15 -0.09 0.00 0.00 0.00 179.25 179.65 3mb2 h ARG 22 N 0.21 0.39 -0.01 0.00 2.43 -0.97 -2.12 114.38 114.30 3mb2 h ARG 22 Ca -0.08 -0.20 -0.25 0.00 -0.81 0.00 0.00 59.98 58.65 3mb2 h ARG 22 Cb 1.60 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.16 3mb2 h ARG 22 CO 0.16 0.75 -0.98 0.00 -1.51 0.00 0.00 179.97 178.39 3mb2 h ALA 23 N 0.63 0.24 -0.35 2.80 0.00 -0.78 -2.56 119.26 119.24 3mb2 h ALA 23 Ca 0.03 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 3mb2 h ALA 23 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3mb2 h ALA 23 CO 0.04 0.74 -0.13 -0.07 0.00 0.00 0.00 179.25 179.83 3mb2 h LEU 24 N 0.34 0.61 -0.51 0.00 3.38 -0.88 -0.12 115.31 118.13 3mb2 h LEU 24 Ca -0.10 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 3mb2 h LEU 24 Cb 1.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 3mb2 h LEU 24 CO 0.18 0.76 -0.57 0.28 0.09 0.00 0.00 178.44 179.19 3mb2 h SER 25 N 0.57 0.60 -0.23 -0.43 0.02 -1.29 -1.20 113.55 111.58 3mb2 h SER 25 Ca 0.10 -0.33 -0.13 0.00 -0.84 0.00 0.00 61.79 60.59 3mb2 h SER 25 Cb 0.55 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3mb2 h SER 25 CO 0.03 1.04 -0.37 0.00 -1.14 0.00 0.00 176.83 176.40 3mb2 h ALA 26 N 0.97 0.36 -0.19 3.77 0.00 -1.16 -1.48 119.26 121.53 3mb2 h ALA 26 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3mb2 h ALA 26 Cb 1.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3mb2 h ALA 26 CO 0.11 0.43 0.03 0.00 0.00 0.00 0.00 179.25 179.82 3mb2 h ALA 27 N 0.64 1.71 0.18 0.00 0.00 -0.83 -1.61 119.26 119.35 3mb2 h ALA 27 Ca 0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 3mb2 h ALA 27 Cb 0.96 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.68 3mb2 h ALA 27 CO 0.08 0.23 -1.31 0.00 0.00 0.00 0.00 179.25 178.25 3mb2 h ALA 28 N 1.78 -0.02 -0.48 0.00 0.00 -1.03 -2.51 119.26 117.01 3mb2 h ALA 28 Ca 0.07 -0.91 0.10 0.00 0.00 0.00 0.00 54.91 54.17 3mb2 h ALA 28 Cb 0.13 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 28 CO -0.00 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.73 3mb2 h ALA 29 N 0.08 0.16 -0.41 0.00 0.00 -1.08 -1.33 119.26 116.68 3mb2 h ALA 29 Ca -0.25 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3mb2 h ALA 29 Cb 1.92 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 20.19 3mb2 h ALA 29 CO 0.18 -0.54 0.04 0.00 0.00 0.00 0.00 179.25 178.93 3mb2 h ALA 30 N 1.26 0.55 0.00 0.00 0.00 -1.29 -1.08 119.26 118.70 3mb2 h ALA 30 Ca 0.23 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3mb2 h ALA 30 Cb 0.45 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3mb2 h ALA 30 CO -0.54 0.30 -0.26 0.00 0.00 0.00 0.00 179.25 178.75 3mb2 h ALA 31 N 0.91 0.03 -0.00 0.00 0.00 -1.19 -3.27 119.26 115.74 3mb2 h ALA 31 Ca 0.12 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3mb2 h ALA 31 Cb 0.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mb2 h ALA 31 CO 0.01 0.09 -0.08 1.19 0.00 0.00 0.00 179.25 180.46 3mb2 n PHE 32 N -4.50 0.00 -2.42 0.00 3.01 -0.53 -4.96 117.46 108.07 3mb2 n PHE 32 Ca -0.10 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.30 3mb2 n PHE 32 Cb 0.51 -0.30 0.03 0.00 -0.01 0.00 0.00 39.48 39.72 3mb2 n PHE 32 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3mb2 n ASP 33 N -1.25 -2.73 -4.02 4.37 -0.08 -0.52 -5.06 116.55 107.26 3mb2 n ASP 33 Ca 0.12 -0.26 -0.20 0.00 -1.51 0.00 0.00 54.79 52.94 3mb2 n ASP 33 Cb 0.28 -2.34 -0.15 0.00 2.34 0.00 0.00 41.12 41.25 3mb2 n ASP 33 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3mb2 s VAL 34 N -3.15 0.81 0.21 5.18 1.01 -0.56 -5.05 120.40 118.85 3mb2 s VAL 34 Ca 0.07 -0.40 -0.32 0.00 0.00 0.00 0.00 61.98 61.34 3mb2 s VAL 34 Cb -0.01 -0.70 -0.14 0.00 0.00 0.00 0.00 36.38 35.53 3mb2 s VAL 34 CO 0.29 0.24 1.31 -0.81 0.00 0.00 0.00 175.10 176.13 3mb2 n PRO 35 N 3.10 1.70 -0.31 2.72 -0.04 -1.26 -4.57 135.00 136.34 3mb2 n PRO 35 Ca -0.16 0.61 0.19 0.00 -0.04 0.00 0.00 63.50 64.09 3mb2 n PRO 35 Cb 0.55 -2.20 0.45 0.00 -0.04 0.00 0.00 33.50 32.26 3mb2 n PRO 35 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3mb2 h LEU 36 N 3.88 0.55 -0.73 1.53 5.85 -1.93 -1.49 115.31 122.98 3mb2 h LEU 36 Ca -0.44 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3mb2 h LEU 36 Cb 1.30 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3mb2 h LEU 36 CO 0.73 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 179.00 3mb2 n ALA 37 N -2.44 1.57 1.05 1.25 0.00 -1.26 -1.81 120.51 118.87 3mb2 n ALA 37 Ca 0.23 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.88 3mb2 n ALA 37 Cb 0.74 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.97 3mb2 n ALA 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3mb2 n GLU 38 N -2.17 0.32 -2.73 0.00 2.13 -0.56 -4.94 120.64 112.70 3mb2 n GLU 38 Ca 0.02 -0.23 -0.43 0.00 0.66 0.00 0.00 57.16 57.18 3mb2 n GLU 38 Cb 0.19 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.38 3mb2 n GLU 38 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3mb2 s VAL 39 N -2.83 4.59 -0.02 6.31 1.01 -0.75 -4.53 120.40 124.18 3mb2 s VAL 39 Ca 0.14 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.58 3mb2 s VAL 39 Cb 0.18 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3mb2 s VAL 39 CO 0.69 -0.42 0.28 -0.13 0.00 0.00 0.00 175.10 175.52 3mb2 s ARG 40 N 3.45 3.64 -0.01 2.72 3.00 -0.96 -5.01 118.95 125.79 3mb2 s ARG 40 Ca 0.41 0.05 0.01 0.00 0.00 0.00 0.00 55.73 56.20 3mb2 s ARG 40 Cb -0.13 -3.14 0.00 0.00 0.00 0.00 0.00 34.95 31.69 3mb2 s ARG 40 CO 0.15 0.69 -0.01 -1.17 0.00 0.00 0.00 175.30 174.95 3mb2 s LEU 41 N -1.41 1.82 -0.07 2.53 0.20 -1.26 0.65 118.68 121.14 3mb2 s LEU 41 Ca 0.24 -0.03 0.03 0.00 0.69 0.00 0.00 54.13 55.06 3mb2 s LEU 41 Cb -0.14 -0.12 0.01 0.00 -0.43 0.00 0.00 46.19 45.51 3mb2 s LEU 41 CO 0.12 -0.00 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.39 3mb2 s ILE 42 N 0.18 1.42 -0.13 6.68 1.01 -0.04 -4.97 121.20 125.35 3mb2 s ILE 42 Ca -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 3mb2 s ILE 42 Cb -0.03 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3mb2 s ILE 42 CO -0.01 0.42 0.00 -0.63 0.00 0.00 0.00 174.94 174.73 3mb2 s ILE 43 N 0.54 4.30 -0.06 2.92 1.01 -1.26 -1.06 121.20 127.59 3mb2 s ILE 43 Ca -0.15 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3mb2 s ILE 43 Cb -0.16 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3mb2 s ILE 43 CO 0.05 0.54 -0.15 -1.10 0.00 0.00 0.00 174.94 174.28 3mb2 s GLN 44 N -0.25 1.89 0.15 2.79 -0.21 0.28 -4.96 119.66 119.35 3mb2 s GLN 44 Ca 0.06 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 54.98 3mb2 s GLN 44 Cb -0.12 -1.55 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 3mb2 s GLN 44 CO 0.02 0.11 -0.01 -1.21 -2.12 0.00 0.00 175.29 172.08 3mb2 s GLU 45 N 0.44 2.42 -0.01 2.91 2.02 -1.26 -1.03 118.70 124.19 3mb2 s GLU 45 Ca -0.12 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.84 3mb2 s GLU 45 Cb -0.15 -2.40 0.01 0.00 0.10 0.00 0.00 34.13 31.69 3mb2 s GLU 45 CO 0.04 0.48 -0.00 0.08 0.02 0.00 0.00 175.26 175.87 3mb2 s VAL 46 N -1.59 0.08 0.72 2.63 1.01 0.15 -4.88 120.40 118.52 3mb2 s VAL 46 Ca 0.27 0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 3mb2 s VAL 46 Cb -0.10 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3mb2 s VAL 46 CO 0.18 0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.28 3mb2 s PRO 47 N 0.27 2.49 0.60 2.72 0.04 -1.26 -0.72 135.00 139.14 3mb2 s PRO 47 Ca -0.02 1.33 0.31 0.00 0.04 0.00 0.00 61.00 62.66 3mb2 s PRO 47 Cb -0.04 -1.91 1.86 0.00 0.04 0.00 0.00 34.50 34.45 3mb2 s PRO 47 CO -0.01 -1.49 2.24 -1.00 0.04 0.00 0.00 177.00 176.79 3mb2 h PRO 48 N -0.50 0.00 0.00 0.56 0.13 -1.94 0.14 132.00 130.39 3mb2 h PRO 48 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3mb2 h PRO 48 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3mb2 h PRO 48 CO 0.52 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.25 3mb2 h THR 49 N 0.00 0.08 -0.44 1.56 1.03 -1.93 -2.88 112.91 110.33 3mb2 h THR 49 Ca 0.01 -0.94 -0.01 0.00 -0.01 0.00 0.00 66.41 65.47 3mb2 h THR 49 Cb 0.09 1.87 -0.00 0.00 -1.07 0.00 0.00 68.15 69.03 3mb2 h THR 49 CO -0.00 0.04 0.01 1.41 -0.01 0.00 0.00 175.52 176.97 3mb2 n HIS 50 N -3.12 1.60 -3.83 0.00 8.25 0.48 -4.80 115.22 113.80 3mb2 n HIS 50 Ca 0.03 -0.81 -0.27 0.00 -0.26 0.00 0.00 57.72 56.40 3mb2 n HIS 50 Cb 0.47 -0.43 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 3mb2 n HIS 50 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3mb2 s TRP 51 N -2.81 1.34 0.18 4.41 -0.11 -1.22 -4.93 118.94 115.81 3mb2 s TRP 51 Ca 0.49 -0.86 0.11 0.00 1.22 0.00 0.00 56.10 57.06 3mb2 s TRP 51 Cb 0.39 -1.15 -0.04 0.00 -1.50 0.00 0.00 33.47 31.17 3mb2 s TRP 51 CO 0.13 -0.56 -0.23 0.95 -4.62 0.00 0.00 176.95 172.62 3mb2 s THR 52 N 1.75 2.21 -0.07 5.86 -4.23 -1.26 -1.09 115.64 118.81 3mb2 s THR 52 Ca 0.01 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3mb2 s THR 52 Cb -0.15 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.67 3mb2 s THR 52 CO -0.07 -0.15 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.11 3mb2 s VAL 53 N -1.70 0.72 -1.38 2.29 1.01 -0.18 -4.71 120.40 116.45 3mb2 s VAL 53 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 3mb2 s VAL 53 Cb -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3mb2 s VAL 53 CO 0.09 0.29 0.03 0.61 0.00 0.00 0.00 175.10 176.12 3mb2 n GLY 54 N 4.39 -0.30 3.51 4.51 0.00 -1.26 -1.83 105.19 114.21 3mb2 n GLY 54 Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3mb2 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mb2 n GLY 55 N -1.04 1.97 3.55 -0.02 0.00 -1.26 -5.03 105.19 103.36 3mb2 n GLY 55 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3mb2 n GLY 55 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mb2 s ILE 56 N -2.56 3.32 0.52 -0.61 -0.00 -0.76 -5.00 121.20 116.12 3mb2 s ILE 56 Ca 0.00 -1.08 -0.21 0.00 -0.00 0.00 0.00 60.65 59.36 3mb2 s ILE 56 Cb 0.00 -2.48 -0.06 0.00 -0.00 0.00 0.00 42.46 39.92 3mb2 s ILE 56 CO 0.00 0.26 1.17 -0.94 -0.00 0.00 0.00 174.94 175.43 3mb2 s SER 57 N -1.76 5.76 0.40 4.36 1.04 -1.26 -1.01 113.70 121.22 3mb2 s SER 57 Ca 0.18 2.31 0.19 0.00 0.48 0.00 0.00 55.95 59.11 3mb2 s SER 57 Cb -0.11 -2.60 1.13 0.00 0.10 0.00 0.00 66.02 64.55 3mb2 s SER 57 CO 0.10 -1.20 1.75 0.24 0.98 0.00 0.00 173.24 175.10 3mb2 h MET 58 N 1.48 0.35 0.00 4.02 2.86 -0.90 0.31 114.93 123.05 3mb2 h MET 58 Ca -0.50 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3mb2 h MET 58 Cb 1.27 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3mb2 h MET 58 CO 0.58 0.23 0.26 0.00 1.06 0.00 0.00 176.91 179.04 3mb2 h ALA 59 N 1.63 1.20 -2.52 6.32 0.00 -1.81 -3.31 119.26 120.76 3mb2 h ALA 59 Ca 0.63 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.78 3mb2 h ALA 59 Cb 1.63 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 19.16 3mb2 h ALA 59 CO -0.33 -0.20 -0.16 -1.21 0.00 0.00 0.00 179.25 177.35 3mb2 s GLU 60 N -3.52 3.07 0.00 0.00 8.01 0.11 -5.08 118.70 121.29 3mb2 s GLU 60 Ca -0.02 -2.04 0.18 0.00 0.01 0.00 0.00 54.97 53.10 3mb2 s GLU 60 Cb 0.05 -4.23 0.15 0.00 -4.31 0.00 0.00 34.13 25.79 3mb2 s GLU 60 CO 0.16 -1.28 1.08 -0.11 0.01 0.00 0.00 175.26 175.13