#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2erb s PRO 4 N 0.00 3.72 -0.29 -2.82 0.04 -1.26 -4.53 135.00 129.86 2erb s PRO 4 Ca 0.00 1.74 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 2erb s PRO 4 Cb 0.00 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.19 2erb s PRO 4 CO 0.00 -0.58 0.96 0.50 0.04 0.00 0.00 177.00 177.93 2erb s ARG 5 N -2.77 4.10 -0.30 4.56 3.52 0.11 -4.97 118.95 123.19 2erb s ARG 5 Ca 0.65 1.00 -0.03 0.00 -0.13 0.00 0.00 55.73 57.21 2erb s ARG 5 Cb -0.28 -3.70 0.11 0.00 -1.56 0.00 0.00 34.95 29.52 2erb s ARG 5 CO 0.33 -0.74 0.16 1.03 -0.81 0.00 0.00 175.30 175.27 2erb s ARG 6 N 3.27 0.27 0.07 5.12 1.81 -1.25 -4.33 118.95 123.91 2erb s ARG 6 Ca 0.40 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 2erb s ARG 6 Cb -0.14 -1.16 -0.00 0.00 -0.45 0.00 0.00 34.95 33.20 2erb s ARG 6 CO 0.11 -1.06 0.09 -0.40 -0.68 0.00 0.00 175.30 173.36 2erb n ASP 7 N 5.00 -0.23 0.27 0.23 5.68 -0.10 -5.02 116.55 122.38 2erb n ASP 7 Ca -0.02 -1.42 0.15 0.00 -0.50 0.00 0.00 54.79 53.00 2erb n ASP 7 Cb 0.41 0.46 0.87 0.00 -1.14 0.00 0.00 41.12 41.73 2erb n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2erb h ALA 8 N 1.43 1.64 0.00 2.12 0.00 -2.00 -3.09 119.26 119.36 2erb h ALA 8 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2erb h ALA 8 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2erb h ALA 8 CO 0.07 -0.07 -1.76 -1.91 0.00 0.00 0.00 179.25 175.58 2erb n GLU 9 N -3.90 0.51 -3.79 0.00 4.07 -1.26 -4.67 120.64 111.60 2erb n GLU 9 Ca -0.02 -0.15 -0.13 0.00 -0.06 0.00 0.00 57.16 56.79 2erb n GLU 9 Cb 0.14 -1.40 -0.15 0.00 -0.06 0.00 0.00 31.44 29.98 2erb n GLU 9 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2erb s TYR 10 N -3.16 -0.07 0.71 4.31 5.04 -1.17 -3.44 117.35 119.58 2erb s TYR 10 Ca -0.06 0.26 -0.16 0.00 -2.44 0.00 0.00 57.07 54.67 2erb s TYR 10 Cb 0.11 -0.09 0.03 0.00 0.35 0.00 0.00 41.96 42.35 2erb s TYR 10 CO 0.70 -0.09 1.23 -2.14 -1.34 0.00 0.00 175.55 173.90 2erb s PRO 11 N 0.72 2.22 -0.21 4.97 0.02 -1.26 -0.93 135.00 140.53 2erb s PRO 11 Ca -0.06 1.84 -0.38 0.00 0.02 0.00 0.00 61.00 62.42 2erb s PRO 11 Cb -0.08 -1.83 -0.14 0.00 0.02 0.00 0.00 34.50 32.47 2erb s PRO 11 CO -0.03 -1.79 1.80 -2.30 -0.33 0.00 0.00 177.00 174.34 2erb n PRO 12 N -2.53 1.54 0.02 5.54 -0.02 -1.22 -4.86 135.00 133.47 2erb n PRO 12 Ca 0.14 0.56 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 2erb n PRO 12 Cb 0.50 -2.31 0.51 0.00 -0.02 0.00 0.00 33.50 32.18 2erb n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2erb h PRO 13 N 7.96 0.35 -0.11 0.52 0.13 -1.83 -1.24 132.00 137.77 2erb h PRO 13 Ca -0.47 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.57 2erb h PRO 13 Cb 1.30 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2erb h PRO 13 CO 0.96 0.23 -0.23 0.93 -0.23 0.00 0.00 178.00 179.66 2erb h GLU 14 N 0.36 0.19 -0.03 0.86 3.07 -1.97 -1.07 114.58 115.98 2erb h GLU 14 Ca 0.18 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 58.79 2erb h GLU 14 Cb 0.25 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2erb h GLU 14 CO -0.04 0.41 -0.72 1.25 -1.40 0.00 0.00 179.01 178.52 2erb h LEU 15 N 0.17 0.69 -0.81 1.33 5.85 -1.63 -2.22 115.31 118.69 2erb h LEU 15 Ca 0.03 -0.72 0.03 0.00 0.84 0.00 0.00 57.88 58.06 2erb h LEU 15 Cb 0.51 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 2erb h LEU 15 CO 0.03 1.31 0.52 -0.07 -0.34 0.00 0.00 178.44 179.90 2erb h LEU 16 N 0.13 0.87 -0.53 2.25 3.38 -1.08 -0.94 115.31 119.39 2erb h LEU 16 Ca -0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2erb h LEU 16 Cb 1.39 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2erb h LEU 16 CO 0.14 0.61 0.16 -0.08 0.09 0.00 0.00 178.44 179.36 2erb h GLU 17 N 1.03 0.82 0.00 1.13 4.81 -1.21 -2.47 114.58 118.70 2erb h GLU 17 Ca 0.32 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 2erb h GLU 17 Cb -0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2erb h GLU 17 CO -0.10 0.77 -0.23 0.00 -0.73 0.00 0.00 179.01 178.72 2erb h ALA 18 N 1.02 1.47 0.00 2.92 0.00 -1.01 -2.75 119.26 120.91 2erb h ALA 18 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2erb h ALA 18 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2erb h ALA 18 CO -0.00 0.29 -0.08 -0.07 0.00 0.00 0.00 179.25 179.38 2erb h LEU 19 N 0.00 0.00 -0.48 0.00 3.38 -0.72 -3.37 115.31 114.12 2erb h LEU 19 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2erb h LEU 19 Cb 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2erb h LEU 19 CO 0.03 0.08 -0.01 0.11 0.09 0.00 0.00 178.44 178.74 2erb h LYS 20 N 0.00 0.10 -0.21 1.13 1.57 -1.21 -0.30 116.57 117.64 2erb h LYS 20 Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2erb h LYS 20 Cb 0.95 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2erb h LYS 20 CO 0.01 0.07 -0.04 -1.35 -0.57 0.00 0.00 179.45 177.56 2erb h PRO 21 N 0.10 0.32 -0.16 3.15 0.11 -1.78 -1.86 132.00 131.89 2erb h PRO 21 Ca 0.24 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.10 2erb h PRO 21 Cb 0.36 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2erb h PRO 21 CO -0.41 0.38 -0.68 -0.07 -0.21 0.00 0.00 178.00 177.01 2erb h LEU 22 N 0.31 0.74 -0.25 2.35 4.07 -1.53 -2.55 115.31 118.46 2erb h LEU 22 Ca 0.07 -0.45 0.02 0.00 0.08 0.00 0.00 57.88 57.59 2erb h LEU 22 Cb 0.28 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2erb h LEU 22 CO 0.01 1.22 0.12 -0.74 -1.08 0.00 0.00 178.44 177.97 2erb h HIS 23 N 0.46 0.23 -0.29 1.13 -0.00 -0.64 0.41 115.15 116.45 2erb h HIS 23 Ca -0.02 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.38 2erb h HIS 23 Cb 1.27 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.58 2erb h HIS 23 CO 0.06 0.13 0.12 -0.44 -0.00 0.00 0.00 177.93 177.80 2erb h ASP 24 N 0.26 0.17 0.13 3.26 3.32 -1.24 0.22 116.42 122.54 2erb h ASP 24 Ca 0.10 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2erb h ASP 24 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2erb h ASP 24 CO -0.07 0.13 -0.06 0.40 -1.72 0.00 0.00 179.24 177.92 2erb h ILE 25 N 0.27 0.92 -0.26 0.35 2.04 -1.24 -2.06 117.51 117.52 2erb h ILE 25 Ca 0.13 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 2erb h ILE 25 Cb 0.07 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2erb h ILE 25 CO -0.11 0.04 -0.46 0.00 0.00 0.00 0.00 178.15 177.61 2erb h LEU 27 N 0.53 0.87 -0.70 0.00 6.46 -0.60 -1.74 115.31 120.13 2erb h LEU 27 Ca 0.03 -0.36 -0.07 0.00 -0.12 0.00 0.00 57.88 57.36 2erb h LEU 27 Cb 1.01 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 2erb h LEU 27 CO 0.09 1.11 0.16 1.23 -0.62 0.00 0.00 178.44 180.42 2erb h GLY 28 N 0.90 1.23 1.71 3.75 0.00 -1.20 -0.43 103.07 109.03 2erb h GLY 28 Ca 0.07 -0.78 -0.18 0.00 0.00 0.00 0.00 47.33 46.44 2erb h GLY 28 CO 0.08 0.73 -0.74 0.50 0.00 0.00 0.00 176.54 177.10 2erb h LYS 29 N 1.07 0.28 0.00 4.80 1.57 -1.10 -3.34 116.57 119.85 2erb h LYS 29 Ca 0.22 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2erb h LYS 29 Cb 0.39 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2erb h LYS 29 CO 0.01 0.90 -1.77 0.25 -0.57 0.00 0.00 179.45 178.27 2erb n THR 30 N -3.79 0.93 -0.86 -0.16 -2.24 -0.66 -4.99 114.28 102.50 2erb n THR 30 Ca -0.04 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2erb n THR 30 Cb 0.71 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2erb n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2erb n GLY 31 N 1.44 0.60 3.76 3.38 0.00 -0.18 -4.87 105.19 109.33 2erb n GLY 31 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2erb n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2erb s VAL 32 N -2.15 3.28 0.17 1.61 0.11 -1.25 -5.04 120.40 117.14 2erb s VAL 32 Ca 0.00 0.42 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2erb s VAL 32 Cb 0.00 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2erb s VAL 32 CO 0.00 -0.54 0.29 0.42 -3.33 0.00 0.00 175.10 171.94 2erb s THR 33 N -2.88 5.21 0.30 5.04 -4.23 -1.26 -4.91 115.64 112.90 2erb s THR 33 Ca 0.61 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 60.30 2erb s THR 33 Cb -0.17 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.17 2erb s THR 33 CO 0.56 -0.16 1.93 -0.33 -0.54 0.00 0.00 174.62 176.08 2erb h GLU 34 N 1.92 0.95 -0.77 3.99 5.08 -2.00 -2.39 114.58 121.36 2erb h GLU 34 Ca -0.49 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 2erb h GLU 34 Cb 1.20 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2erb h GLU 34 CO 0.66 0.70 0.38 1.49 -1.00 0.00 0.00 179.01 181.24 2erb h GLU 35 N 0.96 1.09 -0.66 2.33 4.81 -1.99 -0.47 114.58 120.66 2erb h GLU 35 Ca 0.25 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2erb h GLU 35 Cb 0.02 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 2erb h GLU 35 CO -0.04 0.83 0.13 0.00 -0.73 0.00 0.00 179.01 179.21 2erb h ALA 36 N 1.33 0.99 -0.12 2.92 0.00 -1.84 0.01 119.26 122.55 2erb h ALA 36 Ca 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2erb h ALA 36 Cb 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2erb h ALA 36 CO -0.04 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.68 2erb h ILE 37 N 1.01 1.25 -0.57 0.00 2.04 -1.11 -2.25 117.51 117.88 2erb h ILE 37 Ca 0.21 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2erb h ILE 37 Cb 0.39 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2erb h ILE 37 CO 0.01 0.23 0.16 0.50 0.00 0.00 0.00 178.15 179.05 2erb h LYS 38 N -0.07 0.87 -0.53 2.37 3.64 -0.88 -0.29 116.57 121.68 2erb h LYS 38 Ca 0.03 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 2erb h LYS 38 Cb 0.36 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2erb h LYS 38 CO 0.01 0.77 0.15 -0.22 -2.27 0.00 0.00 179.45 177.88 2erb h LYS 39 N 0.84 0.83 -0.37 1.90 3.64 -0.94 0.16 116.57 122.63 2erb h LYS 39 Ca 0.19 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 2erb h LYS 39 Cb 0.28 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2erb h LYS 39 CO -0.00 0.77 -0.24 0.35 -2.27 0.00 0.00 179.45 178.06 2erb h PHE 40 N 0.73 0.85 -0.02 1.91 3.57 -1.03 0.14 116.94 123.10 2erb h PHE 40 Ca 0.17 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2erb h PHE 40 Cb 0.30 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2erb h PHE 40 CO 0.02 0.91 -0.00 1.03 -2.23 0.00 0.00 178.31 178.04 2erb h SER 41 N 0.65 0.03 0.00 0.41 0.87 -0.78 -3.39 113.55 111.33 2erb h SER 41 Ca 0.09 -0.33 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 2erb h SER 41 Cb 0.74 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2erb h SER 41 CO 0.06 0.35 -1.83 0.47 -0.53 0.00 0.00 176.83 175.35 2erb n ASP 42 N -4.91 1.00 0.00 6.23 8.00 0.02 -4.60 116.55 122.28 2erb n ASP 42 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2erb n ASP 42 Cb 0.18 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.01 2erb n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2erb n GLU 43 N -2.15 2.53 -2.98 -1.24 1.02 0.50 -4.76 120.64 113.55 2erb n GLU 43 Ca -0.05 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 2erb n GLU 43 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.86 2erb n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2erb s GLU 44 N 4.84 4.15 0.31 3.49 2.02 -1.22 -4.78 118.70 127.51 2erb s GLU 44 Ca 0.00 0.91 -0.30 0.00 0.02 0.00 0.00 54.97 55.60 2erb s GLU 44 Cb 0.00 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.73 2erb s GLU 44 CO 0.00 0.11 1.59 0.42 0.02 0.00 0.00 175.26 177.40 2erb s ILE 45 N -2.00 2.02 0.10 -1.63 1.01 -1.26 -4.31 121.20 115.12 2erb s ILE 45 Ca 0.56 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 61.17 2erb s ILE 45 Cb -0.11 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2erb s ILE 45 CO 0.16 0.00 0.12 -1.38 0.00 0.00 0.00 174.94 173.85 2erb s HIS 46 N -0.17 0.41 -0.31 3.97 -3.43 -1.26 -5.07 115.29 109.43 2erb s HIS 46 Ca 0.62 -0.85 -0.12 0.00 -0.80 0.00 0.00 55.06 53.91 2erb s HIS 46 Cb -0.48 -0.22 -0.03 0.00 -1.43 0.00 0.00 32.58 30.42 2erb s HIS 46 CO 0.51 -0.53 0.23 -1.21 -2.00 0.00 0.00 174.74 171.74 2erb s GLU 47 N -3.93 3.74 -0.18 -0.38 0.41 -1.26 -5.03 118.70 112.07 2erb s GLU 47 Ca 0.11 -0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 54.17 2erb s GLU 47 Cb 0.06 -3.73 0.09 0.00 -1.78 0.00 0.00 34.13 28.77 2erb s GLU 47 CO -0.07 -0.32 0.26 0.34 -0.49 0.00 0.00 175.26 174.98 2erb s ASP 48 N 1.74 0.86 0.31 -0.19 -1.08 -1.26 -5.06 116.67 111.98 2erb s ASP 48 Ca 0.07 0.12 0.01 0.00 -0.52 0.00 0.00 52.55 52.23 2erb s ASP 48 Cb -0.17 0.59 0.50 0.00 -1.46 0.00 0.00 42.92 42.39 2erb s ASP 48 CO 0.11 -0.29 1.87 -0.33 0.52 0.00 0.00 175.17 177.05 2erb h GLU 49 N 8.29 0.75 -0.01 4.34 4.39 -2.00 -2.02 114.58 128.32 2erb h GLU 49 Ca -0.16 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.31 2erb h GLU 49 Cb 1.14 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 2erb h GLU 49 CO 0.23 0.66 -0.46 0.87 -1.16 0.00 0.00 179.01 179.14 2erb h LYS 50 N 0.73 0.01 -0.63 2.33 1.57 -1.96 -2.33 116.57 116.29 2erb h LYS 50 Ca 0.17 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2erb h LYS 50 Cb 0.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2erb h LYS 50 CO -0.01 0.48 0.10 1.25 -0.57 0.00 0.00 179.45 180.70 2erb h LEU 51 N 0.01 0.98 -0.56 2.94 5.85 -1.75 0.19 115.31 122.96 2erb h LEU 51 Ca -0.00 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2erb h LEU 51 Cb 0.83 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2erb h LEU 51 CO 0.06 0.98 0.36 0.11 -0.34 0.00 0.00 178.44 179.60 2erb h LYS 52 N 0.97 0.69 0.00 1.25 1.57 -0.95 -0.77 116.57 119.33 2erb h LYS 52 Ca 0.19 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 2erb h LYS 52 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2erb h LYS 52 CO 0.01 0.46 -0.52 0.00 -0.57 0.00 0.00 179.45 178.83 2erb h TYR 54 N 0.00 0.97 -0.48 0.00 3.20 -0.36 0.35 116.97 120.64 2erb h TYR 54 Ca -0.01 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2erb h TYR 54 Cb 1.06 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2erb h TYR 54 CO 0.00 0.77 0.28 0.52 -1.64 0.00 0.00 178.16 178.09 2erb h MET 55 N 0.89 0.66 -0.55 1.82 2.86 -0.78 -0.45 114.93 119.38 2erb h MET 55 Ca 0.21 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2erb h MET 55 Cb 0.22 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2erb h MET 55 CO -0.01 0.50 0.30 -0.97 1.06 0.00 0.00 176.91 177.78 2erb h ASN 56 N 0.64 0.69 -0.66 1.22 -1.24 -1.06 -2.71 115.58 112.47 2erb h ASN 56 Ca 0.17 -0.10 0.02 0.00 0.71 0.00 0.00 56.30 57.11 2erb h ASN 56 Cb 0.02 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 2erb h ASN 56 CO -0.03 0.59 0.42 0.00 -1.29 0.00 0.00 177.43 177.12 2erb h LEU 58 N 0.83 1.06 -0.70 0.00 3.38 -0.82 0.38 115.31 119.43 2erb h LEU 58 Ca 0.26 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2erb h LEU 58 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2erb h LEU 58 CO -0.09 0.76 0.21 -0.26 0.09 0.00 0.00 178.44 179.15 2erb h PHE 59 N 1.25 1.14 -0.21 1.13 0.04 -1.09 -0.50 116.94 118.69 2erb h PHE 59 Ca 0.34 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 2erb h PHE 59 Cb -0.14 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 37.68 2erb h PHE 59 CO -0.00 0.91 -0.07 0.45 -0.60 0.00 0.00 178.31 179.00 2erb h HIS 60 N 1.03 0.48 0.00 -0.55 3.86 -0.71 -2.57 115.15 116.69 2erb h HIS 60 Ca 0.22 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2erb h HIS 60 Cb 0.32 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2erb h HIS 60 CO 0.02 0.68 -0.22 0.93 0.86 0.00 0.00 177.93 180.20 2erb h GLU 61 N 0.14 0.00 -0.01 2.45 4.39 -0.81 -1.66 114.58 119.09 2erb h GLU 61 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2erb h GLU 61 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2erb h GLU 61 CO 0.02 0.22 -0.03 0.00 -1.16 0.00 0.00 179.01 178.07 2erb n ALA 62 N -2.50 2.67 -3.64 3.43 0.00 -0.21 -4.94 120.51 115.33 2erb n ALA 62 Ca -0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 2erb n ALA 62 Cb 0.28 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.42 2erb n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2erb n LYS 63 N -0.68 -6.34 -0.61 0.00 4.76 -0.62 -4.91 118.16 109.75 2erb n LYS 63 Ca 0.19 0.74 0.04 0.00 -2.87 0.00 0.00 58.31 56.41 2erb n LYS 63 Cb 0.23 -5.62 0.20 0.00 -1.84 0.00 0.00 35.03 28.00 2erb n LYS 63 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2erb n VAL 64 N -4.52 2.28 -4.39 -0.18 0.24 -1.00 -4.96 118.33 105.81 2erb n VAL 64 Ca -0.15 -3.01 -0.25 0.00 -2.04 0.00 0.00 64.34 58.90 2erb n VAL 64 Cb 0.61 -0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 32.63 2erb n VAL 64 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2erb s VAL 65 N -3.21 2.83 0.38 3.34 -7.23 -1.26 -0.76 120.40 114.49 2erb s VAL 65 Ca 0.39 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2erb s VAL 65 Cb 0.37 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.93 2erb s VAL 65 CO -0.04 -0.31 0.52 -0.90 -0.31 0.00 0.00 175.10 174.06 2erb n ASP 66 N -0.47 0.36 0.05 4.85 5.68 0.75 -4.79 116.55 122.98 2erb n ASP 66 Ca -0.07 -1.38 0.08 0.00 -0.50 0.00 0.00 54.79 52.91 2erb n ASP 66 Cb 0.58 -0.36 0.34 0.00 -1.14 0.00 0.00 41.12 40.54 2erb n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2erb n ASP 67 N -3.15 0.23 -0.37 -1.12 8.00 -1.26 -1.22 116.55 117.66 2erb n ASP 67 Ca 0.07 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.26 2erb n ASP 67 Cb 0.26 -0.61 0.16 0.00 -0.02 0.00 0.00 41.12 40.91 2erb n ASP 67 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2erb n ASN 68 N -1.76 1.57 0.00 -2.24 5.03 -1.26 -4.94 115.26 111.65 2erb n ASN 68 Ca 0.02 -1.23 0.00 0.00 0.87 0.00 0.00 54.58 54.24 2erb n ASN 68 Cb 0.15 0.35 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 2erb n ASN 68 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2erb n GLY 69 N 1.39 0.74 3.84 7.41 0.00 -0.35 -5.06 105.19 113.15 2erb n GLY 69 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2erb n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2erb s ASP 70 N -2.63 6.86 0.23 1.61 1.01 -1.26 -4.71 116.67 117.79 2erb s ASP 70 Ca 0.00 1.44 -0.31 0.00 0.71 0.00 0.00 52.55 54.39 2erb s ASP 70 Cb 0.00 -2.43 -0.11 0.00 1.01 0.00 0.00 42.92 41.39 2erb s ASP 70 CO 0.00 -0.23 1.57 -0.69 0.21 0.00 0.00 175.17 176.02 2erb s VAL 71 N -2.00 2.37 -0.39 -1.27 1.01 -1.26 -0.18 120.40 118.68 2erb s VAL 71 Ca 0.56 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 2erb s VAL 71 Cb -0.11 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2erb s VAL 71 CO 0.16 0.04 0.22 -2.28 0.00 0.00 0.00 175.10 173.24 2erb s HIS 72 N 0.50 3.26 0.48 5.22 2.46 0.06 -4.78 115.29 122.49 2erb s HIS 72 Ca 0.66 -1.05 0.31 0.00 0.47 0.00 0.00 55.06 55.45 2erb s HIS 72 Cb -0.45 -2.54 1.69 0.00 -0.13 0.00 0.00 32.58 31.15 2erb s HIS 72 CO 0.40 -0.69 2.16 -0.07 -2.47 0.00 0.00 174.74 174.07 2erb h LEU 73 N 8.45 0.00 0.02 8.88 3.38 -1.93 -1.19 115.31 132.91 2erb h LEU 73 Ca -0.25 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 2erb h LEU 73 Cb 1.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.87 2erb h LEU 73 CO 0.69 0.06 -0.84 -0.33 0.09 0.00 0.00 178.44 178.12 2erb h GLU 74 N 0.00 0.53 -0.85 1.13 5.08 -1.94 -0.48 114.58 118.05 2erb h GLU 74 Ca -0.00 -0.60 -0.03 0.00 -1.00 0.00 0.00 59.36 57.73 2erb h GLU 74 Cb 0.20 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2erb h GLU 74 CO 0.01 1.22 0.42 0.87 -1.00 0.00 0.00 179.01 180.53 2erb h LYS 75 N 0.10 1.21 -0.02 2.33 1.57 -1.76 0.09 116.57 120.08 2erb h LYS 75 Ca -0.11 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2erb h LYS 75 Cb 1.53 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 2erb h LYS 75 CO 0.16 0.91 0.01 1.25 -0.57 0.00 0.00 179.45 181.21 2erb h LEU 76 N 1.20 0.03 -0.67 2.94 5.85 -1.16 -1.96 115.31 121.54 2erb h LEU 76 Ca 0.29 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2erb h LEU 76 Cb 0.09 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2erb h LEU 76 CO -0.04 0.19 0.36 -0.74 -0.34 0.00 0.00 178.44 177.87 2erb h HIS 77 N -0.14 0.65 0.00 1.25 2.76 -0.68 -1.86 115.15 117.14 2erb h HIS 77 Ca 0.01 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2erb h HIS 77 Cb 0.17 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 2erb h HIS 77 CO -0.02 0.29 -0.09 -0.44 -1.30 0.00 0.00 177.93 176.37 2erb h ASP 78 N 0.65 0.00 1.27 3.26 3.32 -0.79 -2.55 116.42 121.58 2erb h ASP 78 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2erb h ASP 78 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2erb h ASP 78 CO -0.21 0.09 0.00 -1.54 -1.72 0.00 0.00 179.24 175.86 2erb n SER 79 N -4.34 0.59 -4.88 6.45 3.41 -0.71 -4.87 113.62 109.27 2erb n SER 79 Ca -0.03 0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 2erb n SER 79 Cb 0.17 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 2erb n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2erb s LEU 80 N -4.13 4.01 0.49 1.04 1.43 -0.96 -5.04 118.68 115.52 2erb s LEU 80 Ca 0.11 0.98 -0.23 0.00 -1.03 0.00 0.00 54.13 53.95 2erb s LEU 80 Cb 0.13 -3.80 -0.07 0.00 0.03 0.00 0.00 46.19 42.49 2erb s LEU 80 CO 0.55 -0.24 1.35 -2.65 0.23 0.00 0.00 176.35 175.59 2erb n PRO 81 N -0.80 1.88 0.16 1.29 -0.02 -1.26 -4.86 135.00 131.40 2erb n PRO 81 Ca 0.01 0.68 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 2erb n PRO 81 Cb 0.53 -2.54 0.70 0.00 -0.02 0.00 0.00 33.50 32.18 2erb n PRO 81 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2erb h SER 82 N 1.79 0.00 0.13 2.55 4.64 -1.95 -1.42 113.55 119.29 2erb h SER 82 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2erb h SER 82 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2erb h SER 82 CO 0.59 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.32 2erb h SER 83 N 0.00 0.00 -0.04 4.97 4.64 -2.03 -2.02 113.55 119.08 2erb h SER 83 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2erb h SER 83 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2erb h SER 83 CO -0.00 0.00 0.00 1.15 -0.87 0.00 0.00 176.83 177.11 2erb n MET 84 N -2.78 1.90 -0.05 4.77 0.00 -0.54 -4.77 117.12 115.65 2erb n MET 84 Ca -0.02 -2.33 -0.08 0.00 0.00 0.00 0.00 57.70 55.28 2erb n MET 84 Cb 0.09 -1.40 -0.02 0.00 0.00 0.00 0.00 33.22 31.89 2erb n MET 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2erb h HIS 85 N 0.23 -0.20 -0.13 3.17 2.76 -1.36 0.24 115.15 119.85 2erb h HIS 85 Ca 0.00 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 2erb h HIS 85 Cb 0.91 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.00 2erb h HIS 85 CO 0.05 -0.14 -0.24 -0.44 -1.30 0.00 0.00 177.93 175.86 2erb h ASP 86 N -0.04 0.44 -0.85 3.26 3.32 -1.86 -1.89 116.42 118.80 2erb h ASP 86 Ca 0.12 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.63 2erb h ASP 86 Cb 0.23 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2erb h ASP 86 CO -0.28 0.91 0.55 0.40 -1.72 0.00 0.00 179.24 179.10 2erb h ILE 87 N -0.00 1.22 -0.54 0.35 2.04 -1.86 -1.71 117.51 117.01 2erb h ILE 87 Ca 0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2erb h ILE 87 Cb 0.83 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2erb h ILE 87 CO 0.05 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.61 2erb h ALA 88 N 1.30 0.70 -0.49 1.87 0.00 -0.91 -0.86 119.26 120.88 2erb h ALA 88 Ca 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2erb h ALA 88 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2erb h ALA 88 CO -0.07 0.34 0.31 1.98 0.00 0.00 0.00 179.25 181.82 2erb h MET 89 N 0.74 0.65 -0.01 0.00 1.85 -0.89 -0.83 114.93 116.44 2erb h MET 89 Ca 0.18 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 59.10 2erb h MET 89 Cb 0.25 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.12 2erb h MET 89 CO -0.01 0.45 -0.56 0.45 -0.40 0.00 0.00 176.91 176.84 2erb h HIS 90 N 0.66 0.04 -0.15 1.39 -0.00 -1.20 -1.64 115.15 114.25 2erb h HIS 90 Ca 0.18 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 2erb h HIS 90 Cb -0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 2erb h HIS 90 CO -0.04 0.58 -0.37 1.98 -0.00 0.00 0.00 177.93 180.09 2erb h MET 91 N 0.02 0.32 -0.08 2.45 -1.53 -0.56 -3.22 114.93 112.33 2erb h MET 91 Ca -0.00 -0.14 0.00 0.00 -3.44 0.00 0.00 59.70 56.11 2erb h MET 91 Cb 1.00 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.04 2erb h MET 91 CO 0.07 0.65 0.00 0.41 0.14 0.00 0.00 176.91 178.18 2erb n GLY 92 N -0.24 0.86 0.31 1.39 0.00 -0.37 -4.54 105.19 102.60 2erb n GLY 92 Ca -0.01 -0.61 0.20 0.00 0.00 0.00 0.00 46.02 45.59 2erb n GLY 92 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2erb h LYS 93 N 4.11 0.00 -0.14 1.61 2.10 -1.31 -1.17 116.57 121.76 2erb h LYS 93 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 2erb h LYS 93 Cb 0.88 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.15 2erb h LYS 93 CO 0.00 0.01 -0.47 0.54 -2.00 0.00 0.00 179.45 177.53 2erb n ARG 94 N -3.18 1.87 -2.11 0.07 5.12 -1.26 -4.54 116.66 112.63 2erb n ARG 94 Ca -0.02 -3.40 -0.02 0.00 -1.93 0.00 0.00 57.85 52.48 2erb n ARG 94 Cb 0.17 -1.73 0.05 0.00 -1.16 0.00 0.00 32.46 29.79 2erb n ARG 94 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2erb h LEU 96 N 1.93 0.00 -7.03 0.00 3.38 -1.80 -3.42 115.31 108.38 2erb h LEU 96 Ca -0.07 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.28 2erb h LEU 96 Cb 1.46 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.81 2erb h LEU 96 CO 0.23 0.78 -0.68 -0.31 0.09 0.00 0.00 178.44 178.55 2erb s TYR 97 N -3.08 2.78 0.47 1.13 1.51 -1.26 -5.05 117.35 113.85 2erb s TYR 97 Ca 0.01 -2.95 -0.23 0.00 -1.01 0.00 0.00 57.07 52.88 2erb s TYR 97 Cb 0.11 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.58 2erb s TYR 97 CO 0.78 -0.68 1.16 -2.30 -1.11 0.00 0.00 175.55 173.40 2erb n PRO 98 N 2.70 1.56 -4.39 -1.71 -0.02 -1.26 -5.02 135.00 126.86 2erb n PRO 98 Ca 0.15 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.91 2erb n PRO 98 Cb 0.36 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.43 2erb n PRO 98 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2erb s GLU 99 N -2.36 1.52 0.00 -0.52 2.02 -1.26 -5.03 118.70 113.06 2erb s GLU 99 Ca 0.66 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 54.35 2erb s GLU 99 Cb -0.49 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 31.78 2erb s GLU 99 CO 0.54 0.46 0.00 0.41 0.02 0.00 0.00 175.26 176.69 2erb n GLY 100 N 0.93 4.36 0.21 -1.39 0.00 -1.26 -4.17 105.19 103.87 2erb n GLY 100 Ca -0.17 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 2erb n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2erb h GLU 101 N 0.00 0.73 -6.09 1.61 3.07 -1.99 -3.44 114.58 108.47 2erb h GLU 101 Ca 0.00 -0.54 -0.53 0.00 -0.50 0.00 0.00 59.36 57.78 2erb h GLU 101 Cb 0.00 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 27.94 2erb h GLU 101 CO 0.00 1.16 -0.50 0.95 -1.40 0.00 0.00 179.01 179.23 2erb s THR 102 N -3.86 2.93 0.32 1.13 -4.23 -1.26 -5.02 115.64 105.66 2erb s THR 102 Ca -0.11 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2erb s THR 102 Cb 0.08 -3.01 0.14 0.00 1.34 0.00 0.00 72.50 71.05 2erb s THR 102 CO 0.87 -0.13 1.85 -0.07 -0.54 0.00 0.00 174.62 176.60 2erb h LEU 103 N 1.41 0.51 -0.57 4.79 3.38 -1.95 -1.08 115.31 121.80 2erb h LEU 103 Ca -0.43 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 2erb h LEU 103 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2erb h LEU 103 CO 0.63 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 179.67 2erb h ASP 105 N 0.94 0.90 0.19 0.00 3.32 -1.74 -1.22 116.42 118.80 2erb h ASP 105 Ca 0.15 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 2erb h ASP 105 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2erb h ASP 105 CO 0.05 0.82 -0.47 0.11 -1.72 0.00 0.00 179.24 178.03 2erb h LYS 106 N 0.92 0.33 -0.42 3.56 1.57 -1.06 -0.47 116.57 121.00 2erb h LYS 106 Ca 0.22 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2erb h LYS 106 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2erb h LYS 106 CO -0.02 0.74 -0.01 0.00 -0.57 0.00 0.00 179.45 179.58 2erb h ALA 107 N 1.24 0.57 -0.74 3.86 0.00 -0.80 -1.89 119.26 121.49 2erb h ALA 107 Ca 0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2erb h ALA 107 Cb 0.93 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2erb h ALA 107 CO 0.08 0.37 0.22 0.35 0.00 0.00 0.00 179.25 180.26 2erb h PHE 108 N 0.59 1.20 -0.65 0.00 3.57 -1.05 -2.16 116.94 118.43 2erb h PHE 108 Ca 0.12 -0.13 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2erb h PHE 108 Cb 0.51 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 2erb h PHE 108 CO 0.04 0.95 0.30 2.35 -2.23 0.00 0.00 178.31 179.72 2erb h TRP 109 N 1.10 0.53 0.13 0.41 7.01 -0.72 0.57 115.95 124.98 2erb h TRP 109 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 2erb h TRP 109 Cb 0.32 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2erb h TRP 109 CO 0.03 0.19 -0.06 -0.07 -2.79 0.00 0.00 178.44 175.73 2erb h LEU 110 N 0.53 -0.15 -0.87 0.65 3.38 -1.06 -0.65 115.31 117.14 2erb h LEU 110 Ca 0.32 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2erb h LEU 110 Cb 0.34 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2erb h LEU 110 CO -0.26 0.10 0.57 0.45 0.09 0.00 0.00 178.44 179.39 2erb h HIS 111 N -0.41 1.09 -0.52 1.13 3.86 -1.07 0.46 115.15 119.69 2erb h HIS 111 Ca -0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2erb h HIS 111 Cb 0.33 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 2erb h HIS 111 CO 0.00 0.68 0.18 -0.22 0.86 0.00 0.00 177.93 179.44 2erb h LYS 112 N 1.17 0.80 -0.69 2.45 3.64 -0.87 -0.95 116.57 122.11 2erb h LYS 112 Ca 0.32 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2erb h LYS 112 Cb -0.13 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 2erb h LYS 112 CO -0.07 0.72 0.23 0.00 -2.27 0.00 0.00 179.45 178.05 2erb h TRP 114 N 1.02 0.68 -0.60 0.00 6.55 -0.76 -1.31 115.95 121.53 2erb h TRP 114 Ca 0.23 -0.10 -0.07 0.00 0.95 0.00 0.00 58.89 59.90 2erb h TRP 114 Cb 0.29 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.38 2erb h TRP 114 CO 0.02 0.68 0.10 -0.22 -1.05 0.00 0.00 178.44 177.98 2erb h LYS 115 N 0.49 0.96 -0.43 0.49 3.64 -0.95 -1.10 116.57 119.67 2erb h LYS 115 Ca 0.12 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 2erb h LYS 115 Cb 0.37 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2erb h LYS 115 CO 0.01 0.88 -0.11 1.96 -2.27 0.00 0.00 179.45 179.92 2erb h GLN 116 N 0.91 0.76 -0.29 1.90 1.08 -0.90 -2.16 115.11 116.41 2erb h GLN 116 Ca 0.19 -0.25 -0.13 0.00 -1.45 0.00 0.00 58.65 57.01 2erb h GLN 116 Cb 0.39 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2erb h GLN 116 CO 0.01 0.84 -0.32 1.03 -0.95 0.00 0.00 178.83 179.44 2erb h SER 117 N 0.69 0.79 -1.68 1.46 0.87 -0.73 -3.40 113.55 111.55 2erb h SER 117 Ca 0.12 -0.48 -0.44 0.00 -1.23 0.00 0.00 61.79 59.76 2erb h SER 117 Cb 0.58 -0.22 -0.30 0.00 -0.44 0.00 0.00 62.40 62.02 2erb h SER 117 CO 0.04 1.11 -0.83 -0.67 -0.53 0.00 0.00 176.83 175.95 2erb n ASP 118 N -4.22 -1.35 0.26 6.23 -0.08 -0.46 -4.99 116.55 111.94 2erb n ASP 118 Ca -0.04 -2.68 0.09 0.00 -1.51 0.00 0.00 54.79 50.65 2erb n ASP 118 Cb 0.49 0.26 0.66 0.00 2.34 0.00 0.00 41.12 44.88 2erb n ASP 118 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2erb h PRO 119 N 4.94 0.00 -0.43 -0.67 0.13 -1.60 -0.47 132.00 133.89 2erb h PRO 119 Ca 0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 2erb h PRO 119 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2erb h PRO 119 CO 0.30 0.02 -0.19 -0.22 -0.23 0.00 0.00 178.00 177.67 2erb h LYS 120 N 0.00 0.85 -0.00 0.86 3.64 -1.88 -3.25 116.57 116.80 2erb h LYS 120 Ca -0.00 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2erb h LYS 120 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2erb h LYS 120 CO 0.00 0.97 -0.94 0.72 -2.27 0.00 0.00 179.45 177.94 2erb n HIS 121 N -4.12 0.00 -2.28 1.91 8.25 -0.95 0.07 115.22 118.11 2erb n HIS 121 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 2erb n HIS 121 Cb 0.43 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 2erb n HIS 121 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2erb s TYR 122 N -2.98 2.88 0.17 4.41 5.04 -0.23 -4.99 117.35 121.66 2erb s TYR 122 Ca 0.09 1.54 -0.19 0.00 -2.44 0.00 0.00 57.07 56.07 2erb s TYR 122 Cb 0.16 -3.35 0.04 0.00 0.35 0.00 0.00 41.96 39.17 2erb s TYR 122 CO 0.84 -1.44 0.52 -0.59 -1.34 0.00 0.00 175.55 173.55 2erb s PHE 123 N -1.59 -0.28 -0.12 4.97 -0.12 -1.26 -4.89 117.98 114.70 2erb s PHE 123 Ca 0.64 -0.02 -0.08 0.00 -0.05 0.00 0.00 56.93 57.42 2erb s PHE 123 Cb -0.27 0.43 0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2erb s PHE 123 CO 0.33 -0.86 0.30 -1.17 -0.05 0.00 0.00 175.22 173.78 2erb s LEU 124 N -2.82 0.42 0.00 -1.99 2.96 -1.26 -4.97 118.68 111.02 2erb s LEU 124 Ca 0.05 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 2erb s LEU 124 Cb -0.00 0.98 0.00 0.00 0.50 0.00 0.00 46.19 47.66 2erb s LEU 124 CO -0.08 -0.15 0.20 1.33 -1.32 0.00 0.00 176.35 176.33