#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 0.14 -0.04 -0.89 2.96 -1.26 -5.13 118.68 114.46 3mb2 s LEU 2 Ca 0.00 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3mb2 s LEU 2 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.66 3mb2 s LEU 2 CO 0.00 -0.29 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.39 3mb2 s LEU 3 N 2.20 1.78 0.04 -0.68 1.98 -1.26 -2.53 118.68 120.21 3mb2 s LEU 3 Ca 0.04 -0.28 0.08 0.00 -2.89 0.00 0.00 54.13 51.08 3mb2 s LEU 3 Cb -0.14 -0.78 -0.03 0.00 0.66 0.00 0.00 46.19 45.90 3mb2 s LEU 3 CO -0.07 0.08 -0.20 -0.76 -1.89 0.00 0.00 176.35 173.52 3mb2 s LEU 4 N 0.30 2.52 -0.13 -0.68 1.43 0.11 -4.98 118.68 117.25 3mb2 s LEU 4 Ca -0.07 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 3mb2 s LEU 4 Cb -0.12 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.67 3mb2 s LEU 4 CO 0.02 0.26 -0.06 -0.60 0.23 0.00 0.00 176.35 176.20 3mb2 s ARG 5 N -1.40 1.37 -0.14 1.70 3.52 -1.26 -0.98 118.95 121.75 3mb2 s ARG 5 Ca 0.14 -0.32 -0.07 0.00 -0.13 0.00 0.00 55.73 55.35 3mb2 s ARG 5 Cb -0.10 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 3mb2 s ARG 5 CO 0.05 -0.34 0.11 -1.50 -0.81 0.00 0.00 175.30 172.81 3mb2 s ILE 6 N 1.71 5.28 -0.20 4.11 -1.16 -0.25 -4.99 121.20 125.71 3mb2 s ILE 6 Ca 0.03 0.13 0.02 0.00 -0.51 0.00 0.00 60.65 60.32 3mb2 s ILE 6 Cb -0.14 -3.32 0.03 0.00 0.61 0.00 0.00 42.46 39.65 3mb2 s ILE 6 CO -0.08 0.57 -0.17 -0.89 -2.81 0.00 0.00 174.94 171.56 3mb2 s THR 7 N -0.62 2.06 0.07 4.00 2.01 -1.26 -1.26 115.64 120.65 3mb2 s THR 7 Ca 0.12 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.98 3mb2 s THR 7 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3mb2 s THR 7 CO 0.02 0.35 -0.04 0.00 -0.69 0.00 0.00 174.62 174.26 3mb2 s MET 8 N 1.24 0.71 0.40 4.92 0.23 -0.59 -5.02 119.30 121.20 3mb2 s MET 8 Ca 0.00 -1.27 -0.27 0.00 -1.03 0.00 0.00 55.69 53.12 3mb2 s MET 8 Cb -0.15 0.03 -0.10 0.00 -1.53 0.00 0.00 34.83 33.08 3mb2 s MET 8 CO -0.10 -0.07 1.40 -0.51 -2.03 0.00 0.00 175.02 173.71 3mb2 s LEU 9 N -2.98 4.25 0.82 0.18 1.43 -1.26 -0.60 118.68 120.53 3mb2 s LEU 9 Ca 0.09 2.88 -0.14 0.00 -1.03 0.00 0.00 54.13 55.93 3mb2 s LEU 9 Cb 0.07 -3.79 0.05 0.00 0.03 0.00 0.00 46.19 42.55 3mb2 s LEU 9 CO -0.08 -0.91 0.93 -0.62 0.23 0.00 0.00 176.35 175.90 3mb2 n GLU 10 N 0.25 0.10 0.00 1.70 1.02 -0.26 -4.46 120.64 118.98 3mb2 n GLU 10 Ca 0.03 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3mb2 n GLU 10 Cb 0.41 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 0.92 1.14 3.92 0.62 0.00 -1.26 -4.92 105.19 105.61 3mb2 n GLY 11 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.40 3.56 0.86 1.61 1.81 -1.26 -5.07 118.95 120.07 3mb2 s ARG 12 Ca 0.00 -0.23 -0.11 0.00 -1.72 0.00 0.00 55.73 53.67 3mb2 s ARG 12 Cb 0.00 -2.83 0.11 0.00 -0.45 0.00 0.00 34.95 31.78 3mb2 s ARG 12 CO 0.00 0.41 1.09 -1.54 -0.68 0.00 0.00 175.30 174.58 3mb2 s SER 13 N -2.92 3.68 0.16 0.23 1.04 -1.26 -4.85 113.70 109.78 3mb2 s SER 13 Ca 0.40 1.70 -0.15 0.00 0.48 0.00 0.00 55.95 58.37 3mb2 s SER 13 Cb -0.11 -2.35 0.05 0.00 0.10 0.00 0.00 66.02 63.71 3mb2 s SER 13 CO 0.28 -2.54 1.80 0.74 0.98 0.00 0.00 173.24 174.50 3mb2 h THR 14 N -1.48 1.04 0.06 2.02 2.02 -1.99 -1.74 112.91 112.83 3mb2 h THR 14 Ca -0.47 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3mb2 h THR 14 Cb 1.26 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3mb2 h THR 14 CO 0.52 0.09 -0.05 -0.33 0.37 0.00 0.00 175.52 176.11 3mb2 h GLU 15 N 0.50 -0.12 -0.44 6.66 5.08 -1.99 -2.35 114.58 121.92 3mb2 h GLU 15 Ca 0.17 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3mb2 h GLU 15 Cb 0.02 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3mb2 h GLU 15 CO -0.08 -0.08 0.05 1.96 -1.00 0.00 0.00 179.01 179.86 3mb2 h GLN 16 N -0.12 0.17 -0.58 2.33 4.20 -1.90 -0.67 115.11 118.53 3mb2 h GLN 16 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3mb2 h GLN 16 Cb 0.12 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3mb2 h GLN 16 CO -0.02 0.11 0.32 0.87 -0.67 0.00 0.00 178.83 179.44 3mb2 h LYS 17 N 0.18 0.81 -0.13 1.46 6.56 -1.18 -1.38 116.57 122.89 3mb2 h LYS 17 Ca 0.22 -0.10 -0.11 0.00 -1.06 0.00 0.00 60.65 59.59 3mb2 h LYS 17 Cb 0.29 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 3mb2 h LYS 17 CO -0.31 0.62 -0.43 0.00 -2.06 0.00 0.00 179.45 177.27 3mb2 h ALA 18 N 1.14 1.04 -0.42 3.86 0.00 -1.19 -1.99 119.26 121.71 3mb2 h ALA 18 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3mb2 h ALA 18 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3mb2 h ALA 18 CO -0.03 0.61 0.02 0.93 0.00 0.00 0.00 179.25 180.78 3mb2 h GLU 19 N 0.24 0.72 -0.86 0.00 4.39 -0.67 -1.60 114.58 116.80 3mb2 h GLU 19 Ca 0.02 -0.22 0.07 0.00 0.34 0.00 0.00 59.36 59.57 3mb2 h GLU 19 Cb 0.86 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 3mb2 h GLU 19 CO 0.07 0.79 0.53 -0.07 -1.16 0.00 0.00 179.01 179.17 3mb2 h LEU 20 N 0.56 0.83 -0.36 1.33 3.38 -0.91 0.13 115.31 120.27 3mb2 h LEU 20 Ca 0.12 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 3mb2 h LEU 20 Cb 0.45 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3mb2 h LEU 20 CO 0.02 0.52 -0.43 0.00 0.09 0.00 0.00 178.44 178.64 3mb2 h ALA 21 N 1.42 0.54 -0.16 1.53 0.00 -1.24 -0.26 119.26 121.08 3mb2 h ALA 21 Ca 0.38 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3mb2 h ALA 21 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3mb2 h ALA 21 CO -0.18 0.68 -0.17 -0.09 0.00 0.00 0.00 179.25 179.49 3mb2 h ARG 22 N 0.75 0.39 -0.14 0.00 2.43 -0.69 -2.04 114.38 115.07 3mb2 h ARG 22 Ca 0.05 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 58.79 3mb2 h ARG 22 Cb 1.03 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3mb2 h ARG 22 CO 0.10 0.77 -0.77 0.00 -1.51 0.00 0.00 179.97 178.57 3mb2 h ALA 23 N 0.61 0.36 -0.27 2.80 0.00 -0.65 -2.24 119.26 119.87 3mb2 h ALA 23 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.20 3mb2 h ALA 23 Cb 0.71 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3mb2 h ALA 23 CO 0.04 0.70 -0.38 -0.07 0.00 0.00 0.00 179.25 179.54 3mb2 h LEU 24 N 0.50 0.67 -0.64 0.00 3.38 -1.11 0.75 115.31 118.87 3mb2 h LEU 24 Ca -0.05 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 3mb2 h LEU 24 Cb 1.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3mb2 h LEU 24 CO 0.15 0.98 0.01 0.28 0.09 0.00 0.00 178.44 179.95 3mb2 h SER 25 N 0.53 1.05 -0.29 -0.43 0.02 -1.28 -1.06 113.55 112.09 3mb2 h SER 25 Ca 0.05 -0.30 -0.08 0.00 -0.84 0.00 0.00 61.79 60.62 3mb2 h SER 25 Cb 0.89 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3mb2 h SER 25 CO 0.08 1.10 -0.13 0.00 -1.14 0.00 0.00 176.83 176.74 3mb2 h ALA 26 N 1.01 0.41 -0.38 3.77 0.00 -1.10 -1.25 119.26 121.71 3mb2 h ALA 26 Ca 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3mb2 h ALA 26 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3mb2 h ALA 26 CO 0.03 0.28 0.21 0.00 0.00 0.00 0.00 179.25 179.77 3mb2 h ALA 27 N 0.76 1.65 0.24 0.00 0.00 -0.63 -2.17 119.26 119.11 3mb2 h ALA 27 Ca 0.07 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 3mb2 h ALA 27 Cb 0.64 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.30 3mb2 h ALA 27 CO 0.04 0.30 -1.55 0.00 0.00 0.00 0.00 179.25 178.04 3mb2 h ALA 28 N 1.71 -0.07 -0.52 0.00 0.00 -0.97 -2.01 119.26 117.39 3mb2 h ALA 28 Ca 0.14 -0.94 0.10 0.00 0.00 0.00 0.00 54.91 54.21 3mb2 h ALA 28 Cb 0.01 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 3mb2 h ALA 28 CO -0.02 0.78 -0.19 0.00 0.00 0.00 0.00 179.25 179.81 3mb2 h ALA 29 N 0.14 0.21 0.01 0.00 0.00 -1.07 -1.41 119.26 117.14 3mb2 h ALA 29 Ca -0.28 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mb2 h ALA 29 Cb 2.14 0.51 0.00 0.00 0.00 0.00 0.00 17.79 20.44 3mb2 h ALA 29 CO 0.25 -0.52 -0.00 0.00 0.00 0.00 0.00 179.25 178.98 3mb2 h ALA 30 N 1.33 -0.01 -0.44 0.00 0.00 -1.38 -1.05 119.26 117.72 3mb2 h ALA 30 Ca 0.24 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mb2 h ALA 30 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3mb2 h ALA 30 CO -0.57 -0.32 0.29 0.00 0.00 0.00 0.00 179.25 178.65 3mb2 h ALA 31 N 0.60 0.56 -0.01 0.00 0.00 -1.24 -3.13 119.26 116.04 3mb2 h ALA 31 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mb2 h ALA 31 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mb2 h ALA 31 CO 0.00 -0.01 -0.15 1.19 0.00 0.00 0.00 179.25 180.29 3mb2 n PHE 32 N -4.79 0.00 -2.87 0.00 3.01 -0.54 -4.99 117.46 107.28 3mb2 n PHE 32 Ca 0.02 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.37 3mb2 n PHE 32 Cb 0.03 -0.07 0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3mb2 n PHE 32 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3mb2 n ASP 33 N -0.24 -5.78 -3.84 4.37 9.92 -0.49 -5.06 116.55 115.43 3mb2 n ASP 33 Ca 0.15 -0.51 -0.16 0.00 -0.53 0.00 0.00 54.79 53.75 3mb2 n ASP 33 Cb 0.36 -4.25 -0.15 0.00 -0.64 0.00 0.00 41.12 36.43 3mb2 n ASP 33 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mb2 s VAL 34 N -3.28 0.16 0.29 2.53 1.01 -0.66 -5.06 120.40 115.39 3mb2 s VAL 34 Ca 0.32 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 3mb2 s VAL 34 Cb -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 36.38 35.99 3mb2 s VAL 34 CO 0.59 0.11 1.21 -0.81 0.00 0.00 0.00 175.10 176.20 3mb2 n PRO 35 N 3.76 1.80 -0.28 2.72 -0.04 -1.26 -4.58 135.00 137.12 3mb2 n PRO 35 Ca -0.22 0.63 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 3mb2 n PRO 35 Cb 0.53 -2.16 0.25 0.00 -0.04 0.00 0.00 33.50 32.09 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 2.73 0.11 -1.05 1.53 5.85 -1.93 -1.26 115.31 121.29 3mb2 h LEU 36 Ca -0.44 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3mb2 h LEU 36 Cb 1.30 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.53 3mb2 h LEU 36 CO 0.65 -0.06 0.05 0.00 -0.34 0.00 0.00 178.44 178.74 3mb2 n ALA 37 N -2.62 0.96 0.18 1.25 0.00 -1.26 -1.22 120.51 117.79 3mb2 n ALA 37 Ca 0.19 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.89 3mb2 n ALA 37 Cb 0.58 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.06 0.55 -2.85 0.00 4.07 -0.48 -4.95 120.64 114.94 3mb2 n GLU 38 Ca -0.01 0.06 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 3mb2 n GLU 38 Cb 0.07 -1.74 -0.04 0.00 -0.06 0.00 0.00 31.44 29.67 3mb2 n GLU 38 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3mb2 s VAL 39 N -3.35 4.89 0.10 6.31 1.01 -0.36 -4.56 120.40 124.44 3mb2 s VAL 39 Ca -0.01 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.76 3mb2 s VAL 39 Cb 0.11 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3mb2 s VAL 39 CO 0.81 0.08 0.08 -0.13 0.00 0.00 0.00 175.10 175.94 3mb2 s ARG 40 N 1.72 2.85 -0.09 2.72 3.00 -1.05 -5.04 118.95 123.06 3mb2 s ARG 40 Ca 0.42 -0.75 -0.07 0.00 0.00 0.00 0.00 55.73 55.34 3mb2 s ARG 40 Cb -0.18 -2.69 0.03 0.00 0.00 0.00 0.00 34.95 32.12 3mb2 s ARG 40 CO 0.17 0.54 0.23 -1.17 0.00 0.00 0.00 175.30 175.07 3mb2 s LEU 41 N -2.55 0.86 -0.08 2.53 0.20 -1.26 0.06 118.68 118.45 3mb2 s LEU 41 Ca 0.29 0.48 0.04 0.00 0.69 0.00 0.00 54.13 55.63 3mb2 s LEU 41 Cb -0.12 0.76 0.00 0.00 -0.43 0.00 0.00 46.19 46.40 3mb2 s LEU 41 CO 0.22 -0.11 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.34 3mb2 s ILE 42 N 0.56 1.67 -0.12 6.68 1.01 -0.16 -4.96 121.20 125.88 3mb2 s ILE 42 Ca -0.04 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3mb2 s ILE 42 Cb -0.05 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3mb2 s ILE 42 CO -0.03 0.47 -0.01 -0.63 0.00 0.00 0.00 174.94 174.74 3mb2 s ILE 43 N 0.39 4.13 -0.07 2.92 1.01 -1.26 -1.09 121.20 127.23 3mb2 s ILE 43 Ca -0.15 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.23 3mb2 s ILE 43 Cb -0.16 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.54 3mb2 s ILE 43 CO 0.06 0.54 -0.15 -1.10 0.00 0.00 0.00 174.94 174.29 3mb2 s GLN 44 N -0.23 2.03 0.23 2.79 -1.52 -0.39 -4.98 119.66 117.59 3mb2 s GLN 44 Ca 0.05 -0.52 0.08 0.00 -1.95 0.00 0.00 55.36 53.02 3mb2 s GLN 44 Cb -0.13 -1.63 -0.04 0.00 -0.22 0.00 0.00 33.01 31.00 3mb2 s GLN 44 CO 0.02 0.06 0.05 -1.21 -0.25 0.00 0.00 175.29 173.96 3mb2 s GLU 45 N 0.61 2.50 -0.00 2.91 2.02 -1.26 -1.54 118.70 123.93 3mb2 s GLU 45 Ca -0.15 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.63 3mb2 s GLU 45 Cb -0.16 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3mb2 s GLU 45 CO 0.05 0.41 -0.00 0.08 0.02 0.00 0.00 175.26 175.81 3mb2 s VAL 46 N -2.06 0.05 0.74 2.63 1.01 0.23 -4.89 120.40 118.12 3mb2 s VAL 46 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 3mb2 s VAL 46 Cb -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 36.38 36.27 3mb2 s VAL 46 CO 0.21 0.03 1.14 -2.16 0.00 0.00 0.00 175.10 174.32 3mb2 s PRO 47 N 0.16 2.23 0.59 2.72 0.04 -1.26 -1.11 135.00 138.37 3mb2 s PRO 47 Ca -0.01 1.49 0.29 0.00 0.04 0.00 0.00 61.00 62.81 3mb2 s PRO 47 Cb -0.02 -1.87 1.45 0.00 0.04 0.00 0.00 34.50 34.10 3mb2 s PRO 47 CO -0.00 -1.71 1.87 -1.35 0.04 0.00 0.00 177.00 175.84 3mb2 h PRO 48 N -0.56 0.00 0.00 0.56 0.10 -1.94 0.11 132.00 130.27 3mb2 h PRO 48 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.64 3mb2 h PRO 48 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.36 3mb2 h PRO 48 CO 0.50 0.00 -0.47 0.00 0.10 0.00 0.00 178.00 178.13 3mb2 h THR 49 N 0.00 0.00 -0.52 -1.15 1.03 -1.94 -2.91 112.91 107.42 3mb2 h THR 49 Ca 0.24 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.77 3mb2 h THR 49 Cb 1.29 1.62 0.00 0.00 -1.07 0.00 0.00 68.15 69.99 3mb2 h THR 49 CO -0.00 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 176.92 3mb2 n HIS 50 N -2.71 1.38 -3.88 0.00 8.25 0.38 -4.81 115.22 113.83 3mb2 n HIS 50 Ca 0.03 -0.68 -0.29 0.00 -0.26 0.00 0.00 57.72 56.52 3mb2 n HIS 50 Cb 0.51 -0.29 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.14 1.86 0.16 4.41 -0.11 -1.24 -4.94 118.94 116.95 3mb2 s TRP 51 Ca 0.47 -1.31 0.11 0.00 1.22 0.00 0.00 56.10 56.60 3mb2 s TRP 51 Cb 0.33 -1.37 -0.04 0.00 -1.50 0.00 0.00 33.47 30.88 3mb2 s TRP 51 CO 0.19 -0.68 -0.25 0.95 -4.62 0.00 0.00 176.95 172.54 3mb2 s THR 52 N 1.58 2.33 -0.04 5.86 -4.23 -1.26 -1.64 115.64 118.23 3mb2 s THR 52 Ca -0.02 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 3mb2 s THR 52 Cb -0.17 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.63 3mb2 s THR 52 CO -0.07 -0.01 0.03 0.54 -0.54 0.00 0.00 174.62 174.57 3mb2 s VAL 53 N -1.36 0.06 -0.79 2.29 0.11 -0.28 -4.79 120.40 115.65 3mb2 s VAL 53 Ca 0.17 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3mb2 s VAL 53 Cb -0.09 -0.25 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 3mb2 s VAL 53 CO 0.08 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 3mb2 n GLY 54 N 4.96 0.40 3.44 6.54 0.00 -1.26 -2.11 105.19 117.16 3mb2 n GLY 54 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.36 2.46 3.59 -0.02 0.00 -1.26 -5.04 105.19 103.55 3mb2 n GLY 55 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.47 3.61 0.62 -0.61 -0.00 -0.90 -5.00 121.20 116.46 3mb2 s ILE 56 Ca 0.00 -0.83 -0.16 0.00 -0.00 0.00 0.00 60.65 59.66 3mb2 s ILE 56 Cb 0.00 -2.58 -0.02 0.00 -0.00 0.00 0.00 42.46 39.86 3mb2 s ILE 56 CO 0.00 0.36 1.11 -0.94 -0.00 0.00 0.00 174.94 175.47 3mb2 s SER 57 N -1.50 5.34 0.37 4.36 1.04 -1.26 -1.13 113.70 120.92 3mb2 s SER 57 Ca 0.18 2.01 0.08 0.00 0.48 0.00 0.00 55.95 58.70 3mb2 s SER 57 Cb -0.11 -2.55 0.82 0.00 0.10 0.00 0.00 66.02 64.27 3mb2 s SER 57 CO 0.08 -1.47 1.92 0.24 0.98 0.00 0.00 173.24 174.99 3mb2 h MET 58 N 0.34 0.66 0.00 4.02 2.86 -1.13 -0.82 114.93 120.86 3mb2 h MET 58 Ca -0.47 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 3mb2 h MET 58 Cb 1.25 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3mb2 h MET 58 CO 0.55 0.44 0.46 0.00 1.06 0.00 0.00 176.91 179.42 3mb2 h ALA 59 N 1.61 1.36 0.00 6.32 0.00 -1.81 -0.69 119.26 126.05 3mb2 h ALA 59 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3mb2 h ALA 59 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mb2 h ALA 59 CO -0.14 -0.36 -0.78 0.93 0.00 0.00 0.00 179.25 178.91 3mb2 h GLU 60 N 0.00 0.00 -6.05 0.00 3.07 -1.48 -3.40 114.58 106.72 3mb2 h GLU 60 Ca 0.00 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.29 3mb2 h GLU 60 Cb 0.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 3mb2 h GLU 60 CO 0.00 0.05 1.43 -0.48 -1.40 0.00 0.00 179.01 178.61 3mb2 s LEU 61 N -5.65 3.45 0.00 1.33 0.05 -0.27 -5.10 118.68 112.50 3mb2 s LEU 61 Ca 0.01 1.58 0.00 0.00 0.05 0.00 0.00 54.13 55.77 3mb2 s LEU 61 Cb 0.08 -3.40 0.00 0.00 -2.05 0.00 0.00 46.19 40.83 3mb2 s LEU 61 CO 0.76 -1.98 0.00 -2.11 -0.55 0.00 0.00 176.35 172.48