#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 4.20 -0.24 -2.82 0.02 -1.26 -4.51 135.00 130.40 2erb s PRO 4 Ca 0.00 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.16 2erb s PRO 4 Cb 0.00 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2erb s PRO 4 CO 0.00 -0.46 1.14 0.50 -0.33 0.00 0.00 177.00 177.85 2erb s ARG 5 N -1.22 4.17 -0.30 5.54 3.52 0.26 -4.98 118.95 125.95 2erb s ARG 5 Ca 0.56 1.38 -0.03 0.00 -0.13 0.00 0.00 55.73 57.51 2erb s ARG 5 Cb -0.44 -3.72 0.11 0.00 -1.56 0.00 0.00 34.95 29.33 2erb s ARG 5 CO 0.52 -0.76 0.14 1.03 -0.81 0.00 0.00 175.30 175.42 2erb s ARG 6 N 3.49 0.27 0.00 5.12 1.81 -1.25 -4.25 118.95 124.13 2erb s ARG 6 Ca 0.49 -0.67 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 2erb s ARG 6 Cb -0.17 -1.22 0.00 0.00 -0.45 0.00 0.00 34.95 33.11 2erb s ARG 6 CO 0.12 -1.05 0.00 -0.40 -0.68 0.00 0.00 175.30 173.30 2erb n ASP 7 N 5.05 0.00 0.30 0.23 3.85 0.44 -5.01 116.55 121.41 2erb n ASP 7 Ca -0.03 -0.96 0.17 0.00 -0.71 0.00 0.00 54.79 53.26 2erb n ASP 7 Cb 0.41 0.00 0.92 0.00 -1.35 0.00 0.00 41.12 41.10 2erb n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2erb h ALA 8 N 1.25 1.18 0.00 2.12 0.00 -2.00 -3.13 119.26 118.68 2erb h ALA 8 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2erb h ALA 8 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2erb h ALA 8 CO 0.00 0.05 -1.89 0.39 0.00 0.00 0.00 179.25 177.80 2erb n GLU 9 N -3.40 0.72 -3.79 0.00 -0.58 -1.26 -4.67 120.64 107.66 2erb n GLU 9 Ca -0.02 -0.13 -0.14 0.00 -0.42 0.00 0.00 57.16 56.45 2erb n GLU 9 Cb 0.17 -1.42 -0.15 0.00 -0.57 0.00 0.00 31.44 29.46 2erb n GLU 9 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2erb s TYR 10 N -3.04 -0.03 0.69 -0.32 5.04 -1.18 -3.43 117.35 115.08 2erb s TYR 10 Ca -0.07 0.21 -0.17 0.00 -2.44 0.00 0.00 57.07 54.60 2erb s TYR 10 Cb 0.10 -0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.28 2erb s TYR 10 CO 0.73 -0.09 1.27 -2.30 -1.34 0.00 0.00 175.55 173.81 2erb n PRO 11 N 3.91 0.85 -1.68 4.97 -0.02 -1.26 -0.42 135.00 141.35 2erb n PRO 11 Ca -0.24 0.35 -0.52 0.00 -2.02 0.00 0.00 63.50 61.08 2erb n PRO 11 Cb 0.53 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2erb n PRO 11 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2erb n PRO 12 N -2.29 1.78 -0.32 0.52 -0.02 -1.22 -4.86 135.00 128.60 2erb n PRO 12 Ca 0.15 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 2erb n PRO 12 Cb 0.49 -2.46 0.26 0.00 -0.02 0.00 0.00 33.50 31.77 2erb n PRO 12 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2erb h PRO 13 N 8.71 0.93 -0.12 0.52 0.11 -1.83 -1.59 132.00 138.73 2erb h PRO 13 Ca -0.47 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 2erb h PRO 13 Cb 1.29 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2erb h PRO 13 CO 0.96 0.62 -0.23 0.93 -0.21 0.00 0.00 178.00 180.06 2erb h GLU 14 N 0.96 0.22 -0.08 1.05 3.07 -1.97 -0.58 114.58 117.25 2erb h GLU 14 Ca 0.44 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 59.06 2erb h GLU 14 Cb 0.39 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2erb h GLU 14 CO -0.20 0.44 -0.61 1.25 -1.40 0.00 0.00 179.01 178.49 2erb h LEU 15 N 0.20 0.67 -0.86 1.33 5.85 -1.71 -1.90 115.31 118.89 2erb h LEU 15 Ca 0.03 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.13 2erb h LEU 15 Cb 0.52 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2erb h LEU 15 CO 0.04 1.25 0.54 -0.07 -0.34 0.00 0.00 178.44 179.85 2erb h LEU 16 N 0.15 0.87 -0.34 2.25 3.38 -0.97 -0.93 115.31 119.71 2erb h LEU 16 Ca -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2erb h LEU 16 Cb 1.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2erb h LEU 16 CO 0.12 0.57 0.04 -0.08 0.09 0.00 0.00 178.44 179.18 2erb h GLU 17 N 1.01 0.58 -0.07 1.13 4.81 -1.07 -2.76 114.58 118.21 2erb h GLU 17 Ca 0.36 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2erb h GLU 17 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2erb h GLU 17 CO -0.15 0.67 -0.11 0.00 -0.73 0.00 0.00 179.01 178.69 2erb h ALA 18 N 0.88 1.70 0.00 2.92 0.00 -0.93 -2.81 119.26 121.02 2erb h ALA 18 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2erb h ALA 18 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2erb h ALA 18 CO 0.01 0.22 0.00 -0.07 0.00 0.00 0.00 179.25 179.41 2erb h LEU 19 N 0.10 0.00 -0.35 0.00 3.38 -0.89 -3.37 115.31 114.18 2erb h LEU 19 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2erb h LEU 19 Cb 0.25 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 2erb h LEU 19 CO 0.02 0.00 -0.17 0.11 0.09 0.00 0.00 178.44 178.48 2erb h LYS 20 N 0.00 -0.11 0.00 1.13 1.57 -1.37 -0.26 116.57 117.52 2erb h LYS 20 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2erb h LYS 20 Cb 0.74 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 2erb h LYS 20 CO 0.00 -0.08 -0.22 -1.00 -0.57 0.00 0.00 179.45 177.58 2erb h PRO 21 N -0.12 0.00 -0.21 3.15 0.13 -1.80 -1.66 132.00 131.49 2erb h PRO 21 Ca 0.18 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.10 2erb h PRO 21 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2erb h PRO 21 CO -0.42 0.22 -0.67 -0.07 -0.23 0.00 0.00 178.00 176.83 2erb h LEU 22 N 0.00 0.93 -0.24 1.56 4.07 -1.55 -1.99 115.31 118.09 2erb h LEU 22 Ca -0.00 -0.56 0.02 0.00 0.08 0.00 0.00 57.88 57.43 2erb h LEU 22 Cb 0.59 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 2erb h LEU 22 CO 0.03 1.35 0.08 -0.74 -1.08 0.00 0.00 178.44 178.08 2erb h HIS 23 N 0.59 0.14 -0.49 1.13 -0.00 -0.70 0.13 115.15 115.94 2erb h HIS 23 Ca -0.02 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2erb h HIS 23 Cb 1.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 2erb h HIS 23 CO 0.08 0.06 0.30 -0.44 -0.00 0.00 0.00 177.93 177.93 2erb h ASP 24 N 0.18 0.50 -0.10 3.26 3.32 -1.20 0.12 116.42 122.51 2erb h ASP 24 Ca 0.10 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2erb h ASP 24 Cb 0.07 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2erb h ASP 24 CO -0.11 0.36 0.05 0.40 -1.72 0.00 0.00 179.24 178.22 2erb h ILE 25 N 0.61 1.11 -0.21 0.35 2.04 -1.06 -2.28 117.51 118.07 2erb h ILE 25 Ca 0.19 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 2erb h ILE 25 Cb -0.02 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2erb h ILE 25 CO -0.07 0.10 -0.45 0.00 0.00 0.00 0.00 178.15 177.72 2erb h LEU 27 N 0.42 0.76 -1.28 0.00 6.46 -0.77 -0.52 115.31 120.38 2erb h LEU 27 Ca 0.03 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.42 2erb h LEU 27 Cb 0.96 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2erb h LEU 27 CO 0.09 0.99 -0.27 1.23 -0.62 0.00 0.00 178.44 179.86 2erb h GLY 28 N 0.97 0.15 1.32 3.75 0.00 -1.11 -0.81 103.07 107.32 2erb h GLY 28 Ca 0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 47.33 47.00 2erb h GLY 28 CO 0.07 0.10 -1.47 0.50 0.00 0.00 0.00 176.54 175.74 2erb h LYS 29 N 0.13 0.29 0.00 4.80 1.57 -1.03 -3.40 116.57 118.92 2erb h LYS 29 Ca 0.02 -0.50 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2erb h LYS 29 Cb 0.55 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2erb h LYS 29 CO 0.04 1.18 -2.01 0.25 -0.57 0.00 0.00 179.45 178.34 2erb n THR 30 N -3.50 0.10 -0.96 -0.16 -2.24 -0.23 -5.01 114.28 102.29 2erb n THR 30 Ca -0.15 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2erb n THR 30 Cb 1.05 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 1.32 0.61 3.74 3.38 0.00 -0.32 -4.82 105.19 109.11 2erb n GLY 31 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.37 2.49 0.34 1.61 0.11 -1.26 -5.01 120.40 116.31 2erb s VAL 32 Ca 0.00 0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2erb s VAL 32 Cb 0.00 -2.99 -0.05 0.00 -1.53 0.00 0.00 36.38 31.81 2erb s VAL 32 CO 0.00 -0.09 0.63 0.42 -3.33 0.00 0.00 175.10 172.73 2erb s THR 33 N -1.75 4.95 0.25 5.04 -4.23 -1.26 -4.93 115.64 113.71 2erb s THR 33 Ca 0.76 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.41 2erb s THR 33 Cb -0.30 -3.75 0.26 0.00 1.34 0.00 0.00 72.50 70.04 2erb s THR 33 CO 0.39 -0.44 1.93 -0.33 -0.54 0.00 0.00 174.62 175.62 2erb h GLU 34 N 1.37 1.30 -0.51 3.99 4.39 -2.01 -2.78 114.58 120.33 2erb h GLU 34 Ca -0.48 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.06 2erb h GLU 34 Cb 1.19 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2erb h GLU 34 CO 0.65 0.87 -0.01 1.49 -1.16 0.00 0.00 179.01 180.85 2erb h GLU 35 N 1.34 0.86 -0.85 2.33 4.81 -1.99 -2.00 114.58 119.07 2erb h GLU 35 Ca 0.36 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2erb h GLU 35 Cb -0.14 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 2erb h GLU 35 CO -0.08 0.87 0.46 0.00 -0.73 0.00 0.00 179.01 179.53 2erb h ALA 36 N 1.19 1.20 -0.14 2.92 0.00 -1.90 0.37 119.26 122.90 2erb h ALA 36 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2erb h ALA 36 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2erb h ALA 36 CO 0.02 0.64 0.03 0.82 0.00 0.00 0.00 179.25 180.76 2erb h ILE 37 N 1.19 1.21 -0.69 0.00 2.04 -1.33 -2.14 117.51 117.79 2erb h ILE 37 Ca 0.30 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 2erb h ILE 37 Cb 0.04 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 2erb h ILE 37 CO -0.05 0.20 0.20 0.50 0.00 0.00 0.00 178.15 179.00 2erb h LYS 38 N 0.02 1.07 -0.64 2.37 1.63 -1.03 -0.95 116.57 119.04 2erb h LYS 38 Ca 0.04 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.54 2erb h LYS 38 Cb 0.28 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 2erb h LYS 38 CO 0.00 0.93 0.11 -0.22 -3.45 0.00 0.00 179.45 176.82 2erb h LYS 39 N 1.03 1.06 -0.34 1.90 3.64 -0.91 -0.49 116.57 122.47 2erb h LYS 39 Ca 0.22 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2erb h LYS 39 Cb 0.31 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2erb h LYS 39 CO -0.00 0.98 -0.26 0.35 -2.27 0.00 0.00 179.45 178.24 2erb h PHE 40 N 0.97 0.77 0.02 1.91 3.57 -1.06 0.14 116.94 123.27 2erb h PHE 40 Ca 0.20 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2erb h PHE 40 Cb 0.43 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2erb h PHE 40 CO 0.03 0.87 -0.01 1.03 -2.23 0.00 0.00 178.31 178.00 2erb h SER 41 N 0.59 -0.02 0.00 0.41 0.87 -0.82 -3.38 113.55 111.19 2erb h SER 41 Ca 0.08 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2erb h SER 41 Cb 0.75 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2erb h SER 41 CO 0.06 0.27 -1.82 0.47 -0.53 0.00 0.00 176.83 175.28 2erb n ASP 42 N -4.96 0.81 0.00 6.23 9.92 -0.22 -4.56 116.55 123.76 2erb n ASP 42 Ca -0.08 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2erb n ASP 42 Cb 0.17 1.82 0.00 0.00 -0.64 0.00 0.00 41.12 42.47 2erb n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2erb n GLU 43 N -2.13 3.00 -2.97 -1.24 -0.58 0.50 -4.78 120.64 112.44 2erb n GLU 43 Ca -0.03 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.38 2erb n GLU 43 Cb 0.47 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.28 2erb n GLU 43 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2erb s GLU 44 N 4.99 4.13 0.28 3.49 8.01 -1.23 -4.80 118.70 133.57 2erb s GLU 44 Ca 0.00 0.91 -0.30 0.00 0.01 0.00 0.00 54.97 55.59 2erb s GLU 44 Cb 0.00 -2.31 -0.12 0.00 -4.31 0.00 0.00 34.13 27.39 2erb s GLU 44 CO 0.00 0.06 1.62 0.42 0.01 0.00 0.00 175.26 177.38 2erb s ILE 45 N -2.08 2.02 0.05 -1.63 1.01 -1.26 -4.38 121.20 114.93 2erb s ILE 45 Ca 0.58 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 61.18 2erb s ILE 45 Cb -0.10 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2erb s ILE 45 CO 0.15 0.00 0.14 -1.38 0.00 0.00 0.00 174.94 173.85 2erb s HIS 46 N 0.19 0.16 -0.33 3.97 -3.43 -1.26 -5.09 115.29 109.49 2erb s HIS 46 Ca 0.65 -0.47 -0.20 0.00 -0.80 0.00 0.00 55.06 54.25 2erb s HIS 46 Cb -0.48 -0.10 -0.00 0.00 -1.43 0.00 0.00 32.58 30.56 2erb s HIS 46 CO 0.46 -0.42 0.62 -1.21 -2.00 0.00 0.00 174.74 172.19 2erb s GLU 47 N -2.86 3.77 -0.22 -0.38 0.41 -1.26 -5.02 118.70 113.14 2erb s GLU 47 Ca -0.03 0.14 -0.04 0.00 -0.41 0.00 0.00 54.97 54.64 2erb s GLU 47 Cb 0.00 -3.77 0.11 0.00 -1.78 0.00 0.00 34.13 28.69 2erb s GLU 47 CO -0.06 -0.65 0.32 0.34 -0.49 0.00 0.00 175.26 174.72 2erb s ASP 48 N 1.72 0.58 0.40 -0.19 -1.08 -1.26 -5.05 116.67 111.79 2erb s ASP 48 Ca 0.24 0.16 0.07 0.00 -0.52 0.00 0.00 52.55 52.50 2erb s ASP 48 Cb -0.15 0.86 0.82 0.00 -1.46 0.00 0.00 42.92 42.99 2erb s ASP 48 CO 0.13 -0.30 2.03 -0.33 0.52 0.00 0.00 175.17 177.22 2erb h GLU 49 N 8.23 0.53 -0.11 4.34 4.39 -2.00 -1.59 114.58 128.37 2erb h GLU 49 Ca -0.18 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.31 2erb h GLU 49 Cb 1.15 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2erb h GLU 49 CO 0.25 0.39 -0.64 0.87 -1.16 0.00 0.00 179.01 178.73 2erb h LYS 50 N 0.54 0.42 -0.86 2.33 1.57 -1.95 -2.65 116.57 115.95 2erb h LYS 50 Ca 0.14 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2erb h LYS 50 Cb 0.01 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2erb h LYS 50 CO -0.02 0.92 0.50 1.25 -0.57 0.00 0.00 179.45 181.52 2erb h LEU 51 N 0.30 1.05 -0.71 2.94 5.85 -1.67 0.51 115.31 123.58 2erb h LEU 51 Ca -0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2erb h LEU 51 Cb 1.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 2erb h LEU 51 CO 0.11 0.82 0.46 0.11 -0.34 0.00 0.00 178.44 179.61 2erb h LYS 52 N 1.19 0.95 -0.06 1.25 1.57 -1.16 -0.81 116.57 119.49 2erb h LYS 52 Ca 0.31 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 2erb h LYS 52 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2erb h LYS 52 CO -0.05 0.64 -0.53 0.00 -0.57 0.00 0.00 179.45 178.93 2erb h TYR 54 N 0.14 1.02 -0.60 0.00 3.20 -0.25 0.27 116.97 120.74 2erb h TYR 54 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2erb h TYR 54 Cb 0.98 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 2erb h TYR 54 CO 0.01 0.70 0.36 0.52 -1.64 0.00 0.00 178.16 178.11 2erb h MET 55 N 1.04 0.82 -0.44 1.82 2.86 -0.77 -0.90 114.93 119.37 2erb h MET 55 Ca 0.27 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 2erb h MET 55 Cb 0.00 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2erb h MET 55 CO -0.05 0.60 0.18 -0.97 1.06 0.00 0.00 176.91 177.73 2erb h ASN 56 N 0.82 0.60 -0.79 1.22 -1.24 -0.93 -2.85 115.58 112.40 2erb h ASN 56 Ca 0.22 -0.16 0.03 0.00 0.71 0.00 0.00 56.30 57.10 2erb h ASN 56 Cb -0.01 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 2erb h ASN 56 CO -0.04 0.59 0.50 0.00 -1.29 0.00 0.00 177.43 177.19 2erb h LEU 58 N 0.97 1.10 -0.69 0.00 3.38 -0.97 0.12 115.31 119.21 2erb h LEU 58 Ca 0.32 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2erb h LEU 58 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2erb h LEU 58 CO -0.12 0.78 0.27 -0.26 0.09 0.00 0.00 178.44 179.20 2erb h PHE 59 N 1.29 1.06 -0.23 1.13 0.05 -1.20 -0.14 116.94 118.90 2erb h PHE 59 Ca 0.37 -0.08 -0.03 0.00 3.82 0.00 0.00 57.97 62.04 2erb h PHE 59 Cb -0.10 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.53 2erb h PHE 59 CO -0.00 0.82 0.02 0.45 -0.18 0.00 0.00 178.31 179.42 2erb h HIS 60 N 0.98 0.41 0.00 -0.55 3.86 -0.76 -2.45 115.15 116.65 2erb h HIS 60 Ca 0.23 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 2erb h HIS 60 Cb 0.22 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2erb h HIS 60 CO 0.02 0.54 -0.20 0.93 0.86 0.00 0.00 177.93 180.07 2erb h GLU 61 N 0.17 0.00 -0.01 2.45 4.39 -0.58 -1.71 114.58 119.29 2erb h GLU 61 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2erb h GLU 61 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2erb h GLU 61 CO 0.01 0.20 -0.00 0.00 -1.16 0.00 0.00 179.01 178.06 2erb n ALA 62 N -2.31 2.62 -3.61 3.43 0.00 -0.08 -4.94 120.51 115.62 2erb n ALA 62 Ca -0.01 -0.35 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 2erb n ALA 62 Cb 0.33 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.30 -6.03 -0.48 0.00 4.76 -0.64 -4.91 118.16 110.55 2erb n LYS 63 Ca 0.21 0.73 0.07 0.00 -2.87 0.00 0.00 58.31 56.45 2erb n LYS 63 Cb 0.26 -5.56 0.19 0.00 -1.84 0.00 0.00 35.03 28.07 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 -4.37 2.12 -4.38 -0.18 0.24 -0.95 -4.94 118.33 105.87 2erb n VAL 64 Ca -0.22 -3.00 -0.24 0.00 -2.04 0.00 0.00 64.34 58.84 2erb n VAL 64 Cb 0.64 -0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.69 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 -3.13 2.96 0.35 3.34 -7.23 -1.26 -0.70 120.40 114.73 2erb s VAL 65 Ca 0.37 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2erb s VAL 65 Cb 0.35 -2.56 0.08 0.00 0.56 0.00 0.00 36.38 34.81 2erb s VAL 65 CO -0.05 -0.36 0.48 -0.90 -0.31 0.00 0.00 175.10 173.96 2erb n ASP 66 N -0.68 0.23 0.20 4.85 5.68 0.55 -4.79 116.55 122.58 2erb n ASP 66 Ca -0.06 -1.29 0.14 0.00 -0.50 0.00 0.00 54.79 53.08 2erb n ASP 66 Cb 0.59 -0.35 0.69 0.00 -1.14 0.00 0.00 41.12 40.91 2erb n ASP 66 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2erb h ASP 67 N -0.52 0.00 -0.26 -1.12 3.32 -2.01 -1.79 116.42 114.03 2erb h ASP 67 Ca -0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2erb h ASP 67 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2erb h ASP 67 CO 0.13 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.24 2erb n ASN 68 N -2.48 2.84 0.00 6.45 3.02 -1.26 -4.97 115.26 118.87 2erb n ASN 68 Ca -0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 2erb n ASN 68 Cb 0.11 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2erb n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2erb n GLY 69 N 0.93 0.75 3.82 7.41 0.00 -0.67 -5.05 105.19 112.36 2erb n GLY 69 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.87 7.02 0.28 1.61 1.01 -1.26 -4.72 116.67 117.75 2erb s ASP 70 Ca 0.00 1.58 -0.30 0.00 0.71 0.00 0.00 52.55 54.54 2erb s ASP 70 Cb 0.00 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.34 2erb s ASP 70 CO 0.00 -0.17 1.53 -0.69 0.21 0.00 0.00 175.17 176.05 2erb s VAL 71 N -1.86 2.30 -0.38 -1.27 1.01 -1.26 -0.33 120.40 118.60 2erb s VAL 71 Ca 0.53 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.67 2erb s VAL 71 Cb -0.13 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2erb s VAL 71 CO 0.18 0.04 0.20 -2.28 0.00 0.00 0.00 175.10 173.25 2erb s HIS 72 N -0.06 3.26 0.38 5.22 2.46 0.12 -4.76 115.29 121.91 2erb s HIS 72 Ca 0.61 -1.14 0.28 0.00 0.47 0.00 0.00 55.06 55.28 2erb s HIS 72 Cb -0.45 -2.51 1.45 0.00 -0.13 0.00 0.00 32.58 30.93 2erb s HIS 72 CO 0.47 -0.70 2.06 -0.07 -2.47 0.00 0.00 174.74 174.03 2erb h LEU 73 N 8.40 0.00 -0.03 8.88 3.38 -1.93 -1.13 115.31 132.88 2erb h LEU 73 Ca -0.25 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 2erb h LEU 73 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 2erb h LEU 73 CO 0.68 0.11 -0.57 -0.33 0.09 0.00 0.00 178.44 178.43 2erb h GLU 74 N 0.00 0.44 -0.90 1.13 5.08 -1.94 -1.27 114.58 117.11 2erb h GLU 74 Ca -0.00 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 2erb h GLU 74 Cb 0.36 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2erb h GLU 74 CO 0.01 1.08 0.58 0.87 -1.00 0.00 0.00 179.01 180.56 2erb h LYS 75 N -0.04 1.07 -0.14 2.33 1.57 -1.73 -0.59 116.57 119.04 2erb h LYS 75 Ca -0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2erb h LYS 75 Cb 1.26 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2erb h LYS 75 CO 0.11 0.71 0.05 1.25 -0.57 0.00 0.00 179.45 181.01 2erb h LEU 76 N 1.11 0.20 -0.52 2.94 5.85 -1.17 -1.93 115.31 121.79 2erb h LEU 76 Ca 0.37 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2erb h LEU 76 Cb 0.05 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2erb h LEU 76 CO -0.14 0.32 0.28 -0.74 -0.34 0.00 0.00 178.44 177.83 2erb h HIS 77 N 0.07 0.52 0.00 1.25 2.76 -0.78 -1.78 115.15 117.19 2erb h HIS 77 Ca 0.05 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2erb h HIS 77 Cb 0.18 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 2erb h HIS 77 CO -0.01 0.27 -0.09 -0.44 -1.30 0.00 0.00 177.93 176.36 2erb h ASP 78 N 0.55 0.00 1.23 3.26 3.45 -0.96 -2.32 116.42 121.63 2erb h ASP 78 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 2erb h ASP 78 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 2erb h ASP 78 CO -0.14 0.09 -0.05 -1.54 -1.57 0.00 0.00 179.24 176.03 2erb n SER 79 N -3.84 0.49 -4.86 6.45 3.41 -0.68 -4.88 113.62 109.71 2erb n SER 79 Ca -0.02 0.49 -0.31 0.00 -0.26 0.00 0.00 58.87 58.76 2erb n SER 79 Cb 0.18 -0.59 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.88 4.00 0.60 1.04 1.43 -0.88 -5.05 118.68 115.95 2erb s LEU 80 Ca 0.12 1.15 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 2erb s LEU 80 Cb 0.15 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2erb s LEU 80 CO 0.58 -0.25 1.27 -2.84 0.23 0.00 0.00 176.35 175.34 2erb s PRO 81 N -3.28 2.84 0.49 1.29 0.02 -1.26 -4.88 135.00 130.22 2erb s PRO 81 Ca 0.52 2.00 0.18 0.00 0.02 0.00 0.00 61.00 63.72 2erb s PRO 81 Cb -0.10 -1.96 1.21 0.00 0.02 0.00 0.00 34.50 33.66 2erb s PRO 81 CO 0.23 -1.35 2.04 0.77 -0.33 0.00 0.00 177.00 178.36 2erb h SER 82 N 0.88 0.14 -0.13 2.53 0.02 -1.96 -1.20 113.55 113.82 2erb h SER 82 Ca -0.51 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2erb h SER 82 Cb 1.31 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2erb h SER 82 CO 0.55 0.09 0.23 0.77 -1.14 0.00 0.00 176.83 177.33 2erb h SER 83 N 0.16 0.00 -0.16 3.07 4.64 -2.03 -1.46 113.55 117.77 2erb h SER 83 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2erb h SER 83 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2erb h SER 83 CO -0.03 0.00 0.00 1.15 -0.87 0.00 0.00 176.83 177.08 2erb n MET 84 N -3.44 2.56 -0.16 4.77 0.00 -0.46 -4.69 117.12 115.69 2erb n MET 84 Ca 0.01 -2.25 -0.08 0.00 0.00 0.00 0.00 57.70 55.38 2erb n MET 84 Cb 0.33 -1.41 0.01 0.00 0.00 0.00 0.00 33.22 32.15 2erb n MET 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2erb h HIS 85 N 1.01 0.67 -0.03 3.17 3.86 -1.26 0.50 115.15 123.07 2erb h HIS 85 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2erb h HIS 85 Cb 0.93 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 2erb h HIS 85 CO 0.19 0.51 0.00 0.22 0.86 0.00 0.00 177.93 179.72 2erb h ASP 86 N 0.63 0.05 -0.70 2.45 3.58 -1.84 -1.10 116.42 119.48 2erb h ASP 86 Ca 0.17 -0.27 0.06 0.00 0.42 0.00 0.00 57.03 57.41 2erb h ASP 86 Cb 0.08 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.06 2erb h ASP 86 CO -0.02 0.30 0.39 0.40 -2.88 0.00 0.00 179.24 177.43 2erb h ILE 87 N -0.21 0.96 -0.51 2.25 2.04 -1.84 -1.99 117.51 118.20 2erb h ILE 87 Ca 0.01 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 2erb h ILE 87 Cb 0.28 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2erb h ILE 87 CO 0.00 0.13 0.03 0.00 0.00 0.00 0.00 178.15 178.31 2erb h ALA 88 N 1.37 0.69 -0.54 1.87 0.00 -0.74 -0.49 119.26 121.41 2erb h ALA 88 Ca 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2erb h ALA 88 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2erb h ALA 88 CO -0.19 0.48 0.31 1.98 0.00 0.00 0.00 179.25 181.82 2erb h MET 89 N 0.76 0.75 -0.06 0.00 -1.53 -0.72 -0.42 114.93 113.72 2erb h MET 89 Ca 0.15 -0.08 -0.18 0.00 -3.44 0.00 0.00 59.70 56.15 2erb h MET 89 Cb 0.49 -0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 2erb h MET 89 CO 0.02 0.57 -0.73 0.45 0.14 0.00 0.00 176.91 177.36 2erb h HIS 90 N 0.73 0.42 -0.00 1.39 -0.00 -1.27 -0.70 115.15 115.72 2erb h HIS 90 Ca 0.19 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2erb h HIS 90 Cb 0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2erb h HIS 90 CO -0.02 0.93 -0.30 1.98 -0.00 0.00 0.00 177.93 180.53 2erb h MET 91 N 0.21 0.00 -0.01 2.45 -1.53 -0.77 -3.25 114.93 112.04 2erb h MET 91 Ca -0.03 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 2erb h MET 91 Cb 1.30 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.35 2erb h MET 91 CO 0.12 0.30 -0.46 0.41 0.14 0.00 0.00 176.91 177.42 2erb n GLY 92 N -0.68 -0.17 0.33 1.39 0.00 -0.19 -4.48 105.19 101.38 2erb n GLY 92 Ca -0.02 -0.44 0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 1.16 0.00 -0.15 1.61 2.10 -1.16 0.19 116.57 120.32 2erb h LYS 93 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 2erb h LYS 93 Cb 0.47 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.76 2erb h LYS 93 CO 0.00 0.00 -0.26 0.54 -2.00 0.00 0.00 179.45 177.73 2erb n ARG 94 N -3.35 1.72 -2.59 0.07 1.74 -1.26 -4.59 116.66 108.40 2erb n ARG 94 Ca -0.02 -3.16 -0.09 0.00 -0.77 0.00 0.00 57.85 53.80 2erb n ARG 94 Cb 0.18 -1.69 0.04 0.00 -1.02 0.00 0.00 32.46 29.96 2erb n ARG 94 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2erb h LEU 96 N 2.58 0.00 -7.04 0.00 3.38 -1.81 -3.43 115.31 108.99 2erb h LEU 96 Ca 0.02 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.37 2erb h LEU 96 Cb 1.28 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.63 2erb h LEU 96 CO 0.43 0.80 -0.70 -0.31 0.09 0.00 0.00 178.44 178.75 2erb s TYR 97 N -2.79 2.51 0.43 1.13 1.51 -1.26 -5.04 117.35 113.83 2erb s TYR 97 Ca 0.01 -2.78 -0.25 0.00 -1.01 0.00 0.00 57.07 53.03 2erb s TYR 97 Cb 0.09 -2.19 -0.10 0.00 -0.11 0.00 0.00 41.96 39.65 2erb s TYR 97 CO 0.80 -0.73 1.23 -2.30 -1.11 0.00 0.00 175.55 173.44 2erb n PRO 98 N 3.05 1.81 -4.48 -1.71 -0.02 -1.26 -5.02 135.00 127.38 2erb n PRO 98 Ca 0.12 0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 2erb n PRO 98 Cb 0.35 -2.33 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 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 -2.20 2.00 0.00 -0.52 2.02 -1.26 -5.03 118.70 113.71 2erb s GLU 99 Ca 0.62 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2erb s GLU 99 Cb -0.51 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2erb s GLU 99 CO 0.57 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.78 2erb n GLY 100 N 1.19 4.11 0.10 -1.39 0.00 -1.26 -4.18 105.19 103.76 2erb n GLY 100 Ca -0.16 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.13 -6.39 1.61 5.08 -1.99 -3.43 114.58 109.32 2erb h GLU 101 Ca 0.00 0.01 -0.43 0.00 -1.00 0.00 0.00 59.36 57.94 2erb h GLU 101 Cb 0.00 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2erb h GLU 101 CO 0.00 0.32 -0.29 0.95 -1.00 0.00 0.00 179.01 178.99 2erb s THR 102 N -4.07 3.04 0.37 1.13 -4.23 -1.26 -4.98 115.64 105.65 2erb s THR 102 Ca -0.15 -1.05 0.07 0.00 -1.18 0.00 0.00 61.69 59.38 2erb s THR 102 Cb 0.01 -3.03 0.18 0.00 1.34 0.00 0.00 72.50 71.00 2erb s THR 102 CO 0.60 -0.01 1.93 -0.07 -0.54 0.00 0.00 174.62 176.52 2erb h LEU 103 N 0.72 0.39 -0.55 4.79 3.38 -1.95 -1.00 115.31 121.09 2erb h LEU 103 Ca -0.41 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 2erb h LEU 103 Cb 1.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2erb h LEU 103 CO 0.48 0.45 -0.30 0.00 0.09 0.00 0.00 178.44 179.16 2erb h ASP 105 N 0.72 0.77 0.17 0.00 3.32 -1.66 -1.15 116.42 118.59 2erb h ASP 105 Ca 0.08 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 2erb h ASP 105 Cb 0.85 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2erb h ASP 105 CO 0.07 0.73 -0.40 0.11 -1.72 0.00 0.00 179.24 178.03 2erb h LYS 106 N 0.78 0.31 -0.37 3.56 1.57 -1.07 -0.53 116.57 120.81 2erb h LYS 106 Ca 0.19 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2erb h LYS 106 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2erb h LYS 106 CO -0.02 0.67 -0.08 0.00 -0.57 0.00 0.00 179.45 179.45 2erb h ALA 107 N 1.32 0.51 -0.73 3.86 0.00 -0.96 -2.04 119.26 121.23 2erb h ALA 107 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2erb h ALA 107 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2erb h ALA 107 CO 0.07 0.36 0.25 0.35 0.00 0.00 0.00 179.25 180.27 2erb h PHE 108 N 0.51 1.15 -0.63 0.00 3.57 -1.07 -1.78 116.94 118.70 2erb h PHE 108 Ca 0.09 -0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2erb h PHE 108 Cb 0.59 -0.34 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 2erb h PHE 108 CO 0.05 0.90 0.30 2.35 -2.23 0.00 0.00 178.31 179.68 2erb h TRP 109 N 1.06 0.53 0.24 0.41 7.01 -0.80 0.56 115.95 124.97 2erb h TRP 109 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 2erb h TRP 109 Cb 0.28 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2erb h TRP 109 CO 0.02 0.21 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.69 2erb h LEU 110 N 0.53 -0.28 -0.91 0.65 3.38 -1.05 -0.99 115.31 116.65 2erb h LEU 110 Ca 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2erb h LEU 110 Cb 0.28 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2erb h LEU 110 CO -0.24 -0.09 0.58 0.45 0.09 0.00 0.00 178.44 179.23 2erb h HIS 111 N -0.45 1.16 -0.54 1.13 3.86 -0.93 0.47 115.15 119.85 2erb h HIS 111 Ca -0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2erb h HIS 111 Cb 0.34 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2erb h HIS 111 CO -0.03 0.75 0.24 -0.22 0.86 0.00 0.00 177.93 179.53 2erb h LYS 112 N 1.24 0.79 -0.42 2.45 3.64 -0.86 -0.71 116.57 122.70 2erb h LYS 112 Ca 0.33 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2erb h LYS 112 Cb -0.11 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2erb h LYS 112 CO -0.07 0.67 0.18 0.00 -2.27 0.00 0.00 179.45 177.96 2erb h TRP 114 N 0.54 0.47 -0.50 0.00 6.55 -0.78 -1.10 115.95 121.13 2erb h TRP 114 Ca 0.14 -0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.88 2erb h TRP 114 Cb 0.17 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 2erb h TRP 114 CO -0.00 0.39 -0.03 -0.22 -1.05 0.00 0.00 178.44 177.53 2erb h LYS 115 N 0.41 0.85 -0.48 0.49 3.64 -0.95 -1.39 116.57 119.14 2erb h LYS 115 Ca 0.12 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.15 2erb h LYS 115 Cb 0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2erb h LYS 115 CO -0.02 0.87 -0.07 1.96 -2.27 0.00 0.00 179.45 179.92 2erb h GLN 116 N 0.79 0.86 -0.33 1.90 1.08 -0.82 -2.61 115.11 115.97 2erb h GLN 116 Ca 0.15 -0.27 -0.18 0.00 -1.45 0.00 0.00 58.65 56.89 2erb h GLN 116 Cb 0.51 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2erb h GLN 116 CO 0.03 0.90 -0.48 1.03 -0.95 0.00 0.00 178.83 179.35 2erb h SER 117 N 0.78 1.00 -1.71 1.46 0.87 -0.74 -3.40 113.55 111.81 2erb h SER 117 Ca 0.14 -0.51 -0.42 0.00 -1.23 0.00 0.00 61.79 59.77 2erb h SER 117 Cb 0.57 -0.28 -0.29 0.00 -0.44 0.00 0.00 62.40 61.95 2erb h SER 117 CO 0.03 1.31 -0.80 -0.67 -0.53 0.00 0.00 176.83 176.17 2erb n ASP 118 N -4.03 -1.54 0.28 6.23 4.64 -0.57 -4.97 116.55 116.59 2erb n ASP 118 Ca -0.03 -2.65 0.13 0.00 -1.38 0.00 0.00 54.79 50.85 2erb n ASP 118 Cb 0.60 0.35 0.80 0.00 -1.04 0.00 0.00 41.12 41.83 2erb n ASP 118 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2erb h PRO 119 N 5.12 0.00 -0.53 -0.67 0.13 -1.69 -1.21 132.00 133.15 2erb h PRO 119 Ca 0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 2erb h PRO 119 Cb 0.98 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 2erb h PRO 119 CO 0.26 0.03 0.20 -0.22 -0.23 0.00 0.00 178.00 178.04 2erb h LYS 120 N 0.00 0.80 0.00 0.86 3.64 -1.89 -3.27 116.57 116.70 2erb h LYS 120 Ca -0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2erb h LYS 120 Cb 0.06 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2erb h LYS 120 CO 0.00 0.71 -1.14 0.72 -2.27 0.00 0.00 179.45 177.47 2erb n HIS 121 N -4.51 0.12 -1.97 1.91 8.25 -0.99 -0.57 115.22 117.46 2erb n HIS 121 Ca 0.02 0.03 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 2erb n HIS 121 Cb 0.17 -0.29 0.02 0.00 1.12 0.00 0.00 29.99 31.00 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 -3.17 2.57 0.13 4.41 5.04 -0.49 -4.98 117.35 120.86 2erb s TYR 122 Ca 0.04 1.42 -0.23 0.00 -2.44 0.00 0.00 57.07 55.86 2erb s TYR 122 Cb 0.15 -3.67 0.06 0.00 0.35 0.00 0.00 41.96 38.86 2erb s TYR 122 CO 0.83 -2.35 0.57 -0.59 -1.34 0.00 0.00 175.55 172.67 2erb s PHE 123 N -1.35 -0.49 -0.08 4.97 -0.12 -1.26 -4.88 117.98 114.77 2erb s PHE 123 Ca 0.65 0.34 -0.04 0.00 -0.05 0.00 0.00 56.93 57.83 2erb s PHE 123 Cb -0.37 0.48 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2erb s PHE 123 CO 0.45 -0.79 0.19 -1.17 -0.05 0.00 0.00 175.22 173.85 2erb s LEU 124 N -2.57 0.61 0.00 -1.99 2.96 -1.26 -4.97 118.68 111.46 2erb s LEU 124 Ca -0.00 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2erb s LEU 124 Cb -0.00 0.54 0.00 0.00 0.50 0.00 0.00 46.19 47.23 2erb s LEU 124 CO -0.10 -0.15 0.28 1.33 -1.32 0.00 0.00 176.35 176.39