#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f2e n HIS 7 N 0.00 1.02 0.30 0.66 -0.00 -1.26 -4.66 115.22 111.28 2f2e n HIS 7 Ca 0.00 -0.38 0.17 0.00 -0.00 0.00 0.00 57.72 57.50 2f2e n HIS 7 Cb 0.00 -0.24 0.67 0.00 -0.00 0.00 0.00 29.99 30.42 2f2e n HIS 7 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2f2e h LYS 8 N 2.40 0.00 0.00 -0.41 2.10 -1.90 -0.99 116.57 117.77 2f2e h LYS 8 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2f2e h LYS 8 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2f2e h LYS 8 CO 0.20 0.00 -0.31 1.04 -2.00 0.00 0.00 179.45 178.38 2f2e n GLN 9 N -2.95 1.37 -2.44 0.07 6.02 -1.26 -4.97 117.38 113.22 2f2e n GLN 9 Ca 0.01 -2.91 -0.37 0.00 -0.01 0.00 0.00 57.00 53.72 2f2e n GLN 9 Cb 0.29 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 2f2e n GLN 9 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2f2e s ALA 10 N -2.91 3.06 -0.90 -1.58 0.00 -0.38 -4.94 121.76 114.12 2f2e s ALA 10 Ca 0.34 0.79 0.23 0.00 0.00 0.00 0.00 51.96 53.33 2f2e s ALA 10 Cb 0.32 -3.31 0.95 0.00 0.00 0.00 0.00 23.12 21.08 2f2e s ALA 10 CO -0.03 -0.36 1.73 -1.13 0.00 0.00 0.00 175.76 175.97 2f2e n SER 11 N -0.16 0.19 -4.68 0.00 3.41 -1.26 -4.85 113.62 106.28 2f2e n SER 11 Ca 0.05 0.53 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 2f2e n SER 11 Cb 0.49 -0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2f2e n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2f2e h PRO 13 N 7.24 0.00 0.10 0.00 0.11 -2.00 -2.38 132.00 135.08 2f2e h PRO 13 Ca -0.30 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 2f2e h PRO 13 Cb 1.14 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.27 2f2e h PRO 13 CO 0.84 0.00 -1.11 0.28 -0.21 0.00 0.00 178.00 177.80 2f2e h VAL 14 N 0.00 1.32 -0.28 3.15 2.07 -2.00 -3.38 116.25 117.13 2f2e h VAL 14 Ca 0.00 -2.41 -0.11 0.00 0.82 0.00 0.00 66.70 65.00 2f2e h VAL 14 Cb 0.30 2.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2f2e h VAL 14 CO 0.00 0.72 -0.27 0.00 0.02 0.00 0.00 177.57 178.04 2f2e h ALA 15 N 0.27 0.41 -0.27 1.67 0.00 -1.81 -3.28 119.26 116.26 2f2e h ALA 15 Ca -0.17 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.40 2f2e h ALA 15 Cb 1.80 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2f2e h ALA 15 CO 0.21 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 2f2e h ARG 16 N 0.42 0.02 0.00 0.00 3.08 -1.61 -1.33 114.38 114.96 2f2e h ARG 16 Ca 0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2f2e h ARG 16 Cb 0.83 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 2f2e h ARG 16 CO 0.07 0.01 -0.04 -1.35 -1.07 0.00 0.00 179.97 177.59 2f2e h PRO 17 N 0.02 0.00 0.00 0.04 0.11 -1.74 -2.50 132.00 127.93 2f2e h PRO 17 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.23 2f2e h PRO 17 Cb 0.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2f2e h PRO 17 CO -0.26 0.04 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.45 2f2e h LEU 18 N 0.00 0.00 -1.83 2.35 3.38 -1.29 -1.42 115.31 116.49 2f2e h LEU 18 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2f2e h LEU 18 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2f2e h LEU 18 CO 0.01 0.05 -0.14 0.44 0.09 0.00 0.00 178.44 178.89 2f2e h ASP 19 N 0.00 0.00 0.02 -0.43 3.32 -1.52 0.22 116.42 118.04 2f2e h ASP 19 Ca -0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 2f2e h ASP 19 Cb 0.16 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2f2e h ASP 19 CO 0.01 0.14 -2.36 0.55 -1.72 0.00 0.00 179.24 175.85 2f2e n VAL 20 N -4.07 1.55 0.28 -1.35 3.14 -0.63 -4.68 118.33 112.56 2f2e n VAL 20 Ca -0.02 -0.53 0.03 0.00 -2.96 0.00 0.00 64.34 60.86 2f2e n VAL 20 Cb 0.22 -1.58 0.02 0.00 -1.06 0.00 0.00 33.84 31.43 2f2e n VAL 20 CO 0.00 0.00 0.00 2.30 -6.46 0.00 0.00 176.83 172.67 2f2e n ILE 21 N -3.53 0.00 -2.07 1.55 -5.35 -0.63 -4.81 119.36 104.51 2f2e n ILE 21 Ca -0.45 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.13 2f2e n ILE 21 Cb 0.97 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.99 2f2e n ILE 21 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2f2e n GLY 22 N 0.48 4.65 3.73 3.28 0.00 0.79 -4.80 105.19 113.32 2f2e n GLY 22 Ca 0.04 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 2f2e n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2f2e s ASP 23 N 1.72 0.25 0.00 1.61 1.47 -1.26 -4.94 116.67 115.52 2f2e s ASP 23 Ca 0.43 -1.26 0.29 0.00 1.18 0.00 0.00 52.55 53.19 2f2e s ASP 23 Cb 0.12 0.82 1.21 0.00 -0.34 0.00 0.00 42.92 44.73 2f2e s ASP 23 CO -0.04 -1.63 1.84 0.61 0.68 0.00 0.00 175.17 176.64 2f2e n GLY 24 N -0.55 -0.77 0.00 2.12 0.00 -1.26 -4.47 105.19 100.26 2f2e n GLY 24 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2f2e n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2f2e n TRP 25 N -0.76 0.00 0.00 1.61 7.02 -1.26 -4.85 117.44 119.20 2f2e n TRP 25 Ca 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.64 2f2e n TRP 25 Cb 0.28 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 2f2e n TRP 25 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2f2e n SER 26 N -1.40 0.00 0.00 -0.99 7.64 -1.26 -1.89 113.62 115.72 2f2e n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2f2e n SER 26 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2f2e n SER 26 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2f2e n LEU 28 N 0.80 0.00 -0.09 -3.43 4.77 -1.26 -1.47 117.00 116.32 2f2e n LEU 28 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2f2e n LEU 28 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2f2e n LEU 28 CO 0.00 0.00 0.95 0.40 -1.33 0.00 0.00 177.39 177.41 2f2e h ILE 29 N 0.00 1.13 -0.10 -0.08 2.04 -1.80 0.50 117.51 119.19 2f2e h ILE 29 Ca 0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2f2e h ILE 29 Cb 0.00 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2f2e h ILE 29 CO 0.00 0.13 0.05 0.58 0.00 0.00 0.00 178.15 178.91 2f2e h VAL 30 N 0.37 1.11 -0.52 1.67 2.07 -1.52 -0.30 116.25 119.12 2f2e h VAL 30 Ca 0.11 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2f2e h VAL 30 Cb 0.06 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 2f2e h VAL 30 CO -0.02 0.09 -0.33 -0.09 0.02 0.00 0.00 177.57 177.25 2f2e h ARG 31 N 0.05 -0.19 -0.60 1.57 2.43 -1.81 -0.54 114.38 115.29 2f2e h ARG 31 Ca 0.04 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2f2e h ARG 31 Cb 0.11 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2f2e h ARG 31 CO -0.00 -0.12 0.33 -0.44 -1.51 0.00 0.00 179.97 178.22 2f2e h ASP 32 N -0.19 0.74 -0.99 -3.80 3.32 -0.52 -1.49 116.42 113.48 2f2e h ASP 32 Ca 0.21 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.24 2f2e h ASP 32 Cb 0.54 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 2f2e h ASP 32 CO -0.63 0.61 0.64 0.00 -1.72 0.00 0.00 179.24 178.14 2f2e h ALA 33 N 1.16 1.42 0.00 3.45 0.00 -0.54 0.09 119.26 124.84 2f2e h ALA 33 Ca 0.21 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2f2e h ALA 33 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2f2e h ALA 33 CO -0.04 0.43 -0.23 0.74 0.00 0.00 0.00 179.25 180.16 2f2e h PHE 34 N 1.15 0.00 -0.00 0.00 0.04 -0.57 -2.18 116.94 115.38 2f2e h PHE 34 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 2f2e h PHE 34 Cb 0.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.32 2f2e h PHE 34 CO -0.00 0.23 -0.04 0.39 -0.60 0.00 0.00 178.31 178.28 2f2e n GLU 35 N -3.89 0.84 0.00 1.51 1.02 -0.09 -4.94 120.64 115.09 2f2e n GLU 35 Ca -0.02 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2f2e n GLU 35 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2f2e n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f2e n GLY 36 N 1.19 0.67 3.76 0.62 0.00 -0.57 -5.07 105.19 105.78 2f2e n GLY 36 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2f2e n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f2e s LEU 37 N 0.00 4.52 0.00 0.99 1.02 -0.79 -4.92 118.68 119.51 2f2e s LEU 37 Ca 0.00 2.36 0.00 0.00 0.02 0.00 0.00 54.13 56.51 2f2e s LEU 37 Cb 0.00 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.58 2f2e s LEU 37 CO 0.00 -0.23 0.00 0.35 0.02 0.00 0.00 176.35 176.49 2f2e n THR 38 N 1.11 0.00 -4.16 5.49 -2.24 -1.26 -4.10 114.28 109.13 2f2e n THR 38 Ca -0.01 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 2f2e n THR 38 Cb 0.44 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 2f2e n THR 38 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2f2e s ARG 39 N -0.21 2.89 0.21 -0.78 0.52 -1.26 0.55 118.95 120.88 2f2e s ARG 39 Ca 0.00 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.52 2f2e s ARG 39 Cb 0.00 -2.74 0.30 0.00 0.52 0.00 0.00 34.95 33.03 2f2e s ARG 39 CO 0.00 0.62 1.69 0.35 0.02 0.00 0.00 175.30 177.98 2f2e h PHE 40 N 3.99 0.12 -0.24 -0.53 3.57 -1.98 -0.91 116.94 120.96 2f2e h PHE 40 Ca -0.48 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.00 2f2e h PHE 40 Cb 1.18 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 2f2e h PHE 40 CO 0.62 -0.08 -0.11 0.78 -2.23 0.00 0.00 178.31 177.29 2f2e h GLY 41 N 0.21 0.41 0.95 2.40 0.00 -1.96 -1.10 103.07 103.98 2f2e h GLY 41 Ca 0.32 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 2f2e h GLY 41 CO -0.45 0.25 0.17 0.83 0.00 0.00 0.00 176.54 177.34 2f2e h GLU 42 N 0.36 0.58 -0.15 4.80 5.08 -1.59 -2.66 114.58 121.00 2f2e h GLU 42 Ca 0.07 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2f2e h GLU 42 Cb 0.42 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2f2e h GLU 42 CO 0.02 0.53 0.07 0.74 -1.00 0.00 0.00 179.01 179.38 2f2e h PHE 43 N 0.49 0.22 -0.61 4.33 0.04 -1.06 -2.20 116.94 118.15 2f2e h PHE 43 Ca 0.13 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.01 2f2e h PHE 43 Cb 0.16 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.15 2f2e h PHE 43 CO -0.01 0.26 0.09 0.37 -0.60 0.00 0.00 178.31 178.43 2f2e h GLN 44 N 0.11 0.21 0.00 1.51 -0.00 -1.21 -0.37 115.11 115.36 2f2e h GLN 44 Ca 0.05 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 58.55 2f2e h GLN 44 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.54 2f2e h GLN 44 CO -0.01 0.14 -0.67 0.87 0.00 0.00 0.00 178.83 179.16 2f2e h LYS 45 N 0.22 0.00 -0.19 1.69 1.57 -1.43 0.37 116.57 118.80 2f2e h LYS 45 Ca 0.32 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.00 2f2e h LYS 45 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 2f2e h LYS 45 CO -0.44 0.67 -0.29 1.03 -0.57 0.00 0.00 179.45 179.85 2f2e h SER 46 N 0.00 0.59 0.64 0.86 0.87 -1.09 -3.35 113.55 112.07 2f2e h SER 46 Ca -0.01 -0.52 -0.24 0.00 -1.23 0.00 0.00 61.79 59.79 2f2e h SER 46 Cb 1.34 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2f2e h SER 46 CO 0.09 1.00 -1.51 -0.07 -0.53 0.00 0.00 176.83 175.81 2f2e h LEU 47 N 0.20 0.00 0.43 2.23 3.38 -1.01 -3.47 115.31 117.06 2f2e h LEU 47 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 2f2e h LEU 47 Cb 0.87 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2f2e h LEU 47 CO 0.07 0.84 -0.16 0.61 0.09 0.00 0.00 178.44 179.89 2f2e n GLY 48 N 1.47 1.02 3.78 0.83 0.00 0.13 -4.98 105.19 107.44 2f2e n GLY 48 Ca -0.12 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 2f2e n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f2e s LEU 49 N -1.96 4.48 0.19 0.99 2.96 -1.19 -5.01 118.68 119.14 2f2e s LEU 49 Ca 0.00 1.28 -0.33 0.00 -0.22 0.00 0.00 54.13 54.86 2f2e s LEU 49 Cb 0.00 -2.98 -0.14 0.00 0.50 0.00 0.00 46.19 43.57 2f2e s LEU 49 CO 0.00 0.17 1.50 0.00 -1.32 0.00 0.00 176.35 176.70 2f2e n ALA 50 N 2.23 1.23 -0.32 5.97 0.00 -1.26 -4.69 120.51 123.68 2f2e n ALA 50 Ca -0.08 0.43 0.16 0.00 0.00 0.00 0.00 53.44 53.96 2f2e n ALA 50 Cb 0.51 -2.32 0.35 0.00 0.00 0.00 0.00 19.45 17.99 2f2e n ALA 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2f2e h LYS 51 N 5.16 0.36 -0.09 0.00 1.57 -1.97 0.90 116.57 122.50 2f2e h LYS 51 Ca -0.45 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.13 2f2e h LYS 51 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2f2e h LYS 51 CO 0.83 0.24 -0.68 -2.95 -0.57 0.00 0.00 179.45 176.32 2f2e h ASN 52 N 0.37 0.46 -0.08 0.86 -0.00 -1.98 0.69 115.58 115.90 2f2e h ASN 52 Ca 0.61 -0.29 -0.15 0.00 -0.00 0.00 0.00 56.30 56.47 2f2e h ASN 52 Cb 1.24 -0.14 0.01 0.00 -0.00 0.00 0.00 38.32 39.43 2f2e h ASN 52 CO -0.56 1.01 -0.54 0.40 -0.00 0.00 0.00 177.43 177.73 2f2e h ILE 53 N 0.28 1.37 -0.97 6.14 1.08 -1.29 -1.26 117.51 122.88 2f2e h ILE 53 Ca -0.02 -1.89 0.05 0.00 -0.39 0.00 0.00 64.86 62.61 2f2e h ILE 53 Cb 1.24 2.27 -0.06 0.00 -3.07 0.00 0.00 36.82 37.20 2f2e h ILE 53 CO 0.12 0.56 0.62 0.25 -0.69 0.00 0.00 178.15 179.01 2f2e h LEU 54 N 0.09 1.02 -0.20 1.44 5.85 -0.91 -1.67 115.31 120.93 2f2e h LEU 54 Ca -0.04 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2f2e h LEU 54 Cb 1.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2f2e h LEU 54 CO 0.11 0.68 -0.04 0.00 -0.34 0.00 0.00 178.44 178.85 2f2e h ALA 55 N 1.42 0.14 -0.78 1.25 0.00 -0.59 -0.32 119.26 120.38 2f2e h ALA 55 Ca 0.40 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2f2e h ALA 55 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2f2e h ALA 55 CO -0.14 -0.47 0.38 0.00 0.00 0.00 0.00 179.25 179.01 2f2e h ALA 56 N 1.20 1.00 -0.33 0.00 0.00 -0.94 0.64 119.26 120.83 2f2e h ALA 56 Ca 0.10 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2f2e h ALA 56 Cb 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2f2e h ALA 56 CO -0.20 0.56 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 2f2e h ARG 57 N 1.10 0.61 -0.48 0.00 2.47 -1.09 -1.87 114.38 115.11 2f2e h ARG 57 Ca 0.27 -0.21 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 2f2e h ARG 57 Cb 0.11 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 2f2e h ARG 57 CO -0.03 0.76 0.17 -0.07 0.56 0.00 0.00 179.97 181.35 2f2e h LEU 58 N 0.40 0.69 -0.52 3.04 3.38 -0.95 -1.70 115.31 119.66 2f2e h LEU 58 Ca 0.09 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2f2e h LEU 58 Cb 0.51 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2f2e h LEU 58 CO 0.02 0.70 0.08 -0.09 0.09 0.00 0.00 178.44 179.24 2f2e h ARG 59 N 0.65 0.21 -0.70 1.13 2.43 -0.81 -0.98 114.38 116.31 2f2e h ARG 59 Ca 0.16 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2f2e h ARG 59 Cb 0.24 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2f2e h ARG 59 CO -0.01 0.14 0.30 -0.97 -1.51 0.00 0.00 179.97 177.91 2f2e h ASN 60 N 0.21 0.95 -0.46 -3.80 -0.73 -1.07 0.12 115.58 110.80 2f2e h ASN 60 Ca 0.26 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 2f2e h ASN 60 Cb 0.37 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 2f2e h ASN 60 CO -0.36 0.85 0.18 -0.07 -0.37 0.00 0.00 177.43 177.65 2f2e h LEU 61 N 0.98 0.69 -0.16 0.34 3.38 -1.02 -0.60 115.31 118.92 2f2e h LEU 61 Ca 0.23 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2f2e h LEU 61 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2f2e h LEU 61 CO -0.02 0.64 -0.45 0.58 0.09 0.00 0.00 178.44 179.28 2f2e h VAL 62 N 0.74 1.34 -0.35 1.22 2.07 -0.55 0.13 116.25 120.85 2f2e h VAL 62 Ca 0.17 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 2f2e h VAL 62 Cb 0.19 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2f2e h VAL 62 CO -0.01 0.52 0.06 -0.33 0.02 0.00 0.00 177.57 177.84 2f2e h GLU 63 N 0.23 0.51 -0.19 1.57 5.08 -0.58 -1.63 114.58 119.57 2f2e h GLU 63 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2f2e h GLU 63 Cb 1.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2f2e h GLU 63 CO 0.10 0.49 0.00 0.72 -1.00 0.00 0.00 179.01 179.32 2f2e n HIS 64 N -4.33 0.25 -1.55 4.33 8.25 -0.25 -4.92 115.22 117.00 2f2e n HIS 64 Ca 0.02 -0.12 -0.13 0.00 -0.26 0.00 0.00 57.72 57.22 2f2e n HIS 64 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 2f2e n HIS 64 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f2e n GLY 65 N 1.01 1.09 0.27 -1.41 0.00 -0.61 -5.04 105.19 100.49 2f2e n GLY 65 Ca 0.13 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.84 2f2e n GLY 65 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f2e n VAL 66 N -2.89 0.13 -3.66 1.61 0.31 0.01 -4.34 118.33 109.49 2f2e n VAL 66 Ca -0.14 -0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 2f2e n VAL 66 Cb 0.47 0.05 -0.09 0.00 -0.91 0.00 0.00 33.84 33.36 2f2e n VAL 66 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2f2e s VAL 68 N -1.87 -0.06 -0.19 2.52 1.01 0.36 -1.66 120.40 120.50 2f2e s VAL 68 Ca 0.25 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.20 2f2e s VAL 68 Cb 0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2f2e s VAL 68 CO 0.19 0.02 0.05 0.00 0.00 0.00 0.00 175.10 175.36 2f2e s ALA 69 N 1.61 3.30 0.29 5.51 0.00 -1.26 -0.92 121.76 130.30 2f2e s ALA 69 Ca -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2f2e s ALA 69 Cb -0.07 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2f2e s ALA 69 CO -0.17 0.06 0.34 0.14 0.00 0.00 0.00 175.76 176.12 2f2e s VAL 70 N 0.61 0.00 0.23 0.00 -7.23 0.06 -4.98 120.40 109.09 2f2e s VAL 70 Ca 0.02 -1.78 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 2f2e s VAL 70 Cb -0.13 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.22 2f2e s VAL 70 CO 0.02 0.00 0.72 -2.16 -0.31 0.00 0.00 175.10 173.37 2f2e s PRO 71 N -3.59 4.22 0.93 4.82 0.04 -1.26 -0.10 135.00 140.07 2f2e s PRO 71 Ca 0.34 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 62.12 2f2e s PRO 71 Cb 0.02 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.88 2f2e s PRO 71 CO 0.18 0.37 1.09 0.00 0.04 0.00 0.00 177.00 178.67 2f2e n ALA 72 N 0.59 -1.00 -0.33 8.56 0.00 0.54 -4.78 120.51 124.09 2f2e n ALA 72 Ca -0.02 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 52.93 2f2e n ALA 72 Cb 0.51 -2.16 0.25 0.00 0.00 0.00 0.00 19.45 18.05 2f2e n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2f2e h GLU 73 N -1.89 0.75 0.00 0.00 4.81 -1.97 0.15 114.58 116.41 2f2e h GLU 73 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2f2e h GLU 73 Cb 1.27 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2f2e h GLU 73 CO 0.41 0.49 -0.06 -1.13 -0.73 0.00 0.00 179.01 177.99 2f2e n SER 74 N -4.77 0.08 -0.62 1.04 3.41 -1.26 -4.91 113.62 106.59 2f2e n SER 74 Ca 0.19 0.41 -0.08 0.00 -0.26 0.00 0.00 58.87 59.13 2f2e n SER 74 Cb 0.44 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2f2e n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f2e n GLY 75 N 1.50 0.99 0.21 5.00 0.00 0.51 -4.90 105.19 108.50 2f2e n GLY 75 Ca 0.07 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.64 2f2e n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2f2e h SER 76 N 0.00 0.00 -5.35 1.61 4.64 -1.91 -3.48 113.55 109.07 2f2e h SER 76 Ca -0.17 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.28 2f2e h SER 76 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2f2e h SER 76 CO 0.24 0.04 0.54 -1.38 -0.87 0.00 0.00 176.83 175.40 2f2e s HIS 77 N -3.20 0.09 -0.11 4.77 -3.43 -1.26 -5.06 115.29 107.09 2f2e s HIS 77 Ca 0.06 -0.55 -0.02 0.00 -0.80 0.00 0.00 55.06 53.76 2f2e s HIS 77 Cb 0.05 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.91 2f2e s HIS 77 CO 0.68 -1.05 -0.04 -0.65 -2.00 0.00 0.00 174.74 171.68 2f2e s GLN 78 N -2.12 3.24 0.21 -0.38 -1.52 -1.26 -0.34 119.66 117.49 2f2e s GLN 78 Ca 0.21 -0.51 0.11 0.00 -1.95 0.00 0.00 55.36 53.22 2f2e s GLN 78 Cb -0.03 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 29.93 2f2e s GLN 78 CO 0.07 0.47 -0.21 -1.21 -0.25 0.00 0.00 175.29 174.16 2f2e s GLU 79 N -0.26 1.49 -0.08 2.91 2.02 0.86 -4.56 118.70 121.09 2f2e s GLU 79 Ca 0.04 -1.57 0.04 0.00 0.02 0.00 0.00 54.97 53.50 2f2e s GLU 79 Cb -0.13 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.45 2f2e s GLU 79 CO 0.02 0.33 -0.18 0.71 0.02 0.00 0.00 175.26 176.16 2f2e s TYR 80 N -2.10 2.62 0.06 1.61 1.51 0.19 -0.76 117.35 120.48 2f2e s TYR 80 Ca 0.22 -0.53 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 2f2e s TYR 80 Cb -0.06 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2f2e s TYR 80 CO 0.10 -0.09 -0.13 1.03 -1.11 0.00 0.00 175.55 175.36 2f2e s ARG 81 N -0.20 0.76 0.18 -0.62 1.81 -0.10 -4.53 118.95 116.25 2f2e s ARG 81 Ca -0.01 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 52.81 2f2e s ARG 81 Cb -0.13 -0.72 -0.10 0.00 -0.45 0.00 0.00 34.95 33.55 2f2e s ARG 81 CO 0.03 0.16 1.48 -0.51 -0.68 0.00 0.00 175.30 175.79 2f2e s LEU 82 N -1.61 4.38 1.07 2.53 1.43 -1.26 -0.49 118.68 124.73 2f2e s LEU 82 Ca -0.03 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.46 2f2e s LEU 82 Cb -0.10 -3.60 0.24 0.00 0.03 0.00 0.00 46.19 42.76 2f2e s LEU 82 CO 0.02 -0.74 1.21 0.42 0.23 0.00 0.00 176.35 177.48 2f2e s THR 83 N 0.77 1.81 0.23 5.49 -4.23 -0.67 -4.74 115.64 114.31 2f2e s THR 83 Ca 0.65 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 2f2e s THR 83 Cb -0.41 -2.74 0.19 0.00 1.34 0.00 0.00 72.50 70.88 2f2e s THR 83 CO 0.35 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.67 2f2e h ASP 84 N -2.07 0.62 -0.50 3.99 3.32 -1.89 0.16 116.42 120.05 2f2e h ASP 84 Ca -0.45 0.05 0.05 0.00 0.02 0.00 0.00 57.03 56.70 2f2e h ASP 84 Cb 1.27 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2f2e h ASP 84 CO 0.38 0.36 0.23 0.50 -1.72 0.00 0.00 179.24 178.99 2f2e h LYS 85 N 0.74 0.43 -0.58 3.56 3.64 -1.89 -1.97 116.57 120.50 2f2e h LYS 85 Ca 0.37 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2f2e h LYS 85 Cb 0.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2f2e h LYS 85 CO -0.24 0.29 0.16 0.78 -2.27 0.00 0.00 179.45 178.17 2f2e h GLY 86 N 0.44 0.99 2.00 5.01 0.00 -1.43 -3.04 103.07 107.05 2f2e h GLY 86 Ca 0.23 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2f2e h GLY 86 CO -0.19 0.57 -0.18 3.21 0.00 0.00 0.00 176.54 179.95 2f2e h ARG 87 N 0.83 0.00 0.00 4.80 3.08 -0.49 -1.68 114.38 120.93 2f2e h ARG 87 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2f2e h ARG 87 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2f2e h ARG 87 CO -0.00 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 2f2e n ALA 88 N -2.40 1.47 1.13 0.04 0.00 -0.76 -1.95 120.51 118.04 2f2e n ALA 88 Ca -0.02 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2f2e n ALA 88 Cb 0.26 -1.19 0.59 0.00 0.00 0.00 0.00 19.45 19.12 2f2e n ALA 88 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2f2e n LEU 89 N -1.60 0.00 -0.06 0.00 4.77 -0.63 -4.25 117.00 115.23 2f2e n LEU 89 Ca 0.02 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 2f2e n LEU 89 Cb 0.13 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2f2e n LEU 89 CO 0.10 -0.06 0.76 0.15 -1.33 0.00 0.00 177.39 177.01 2f2e h PHE 90 N 0.00 -0.37 -0.90 -1.77 3.57 -1.60 -0.30 116.94 115.58 2f2e h PHE 90 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2f2e h PHE 90 Cb 0.18 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2f2e h PHE 90 CO 0.00 -0.22 0.58 -1.35 -2.23 0.00 0.00 178.31 175.09 2f2e h PRO 91 N -0.12 1.06 -0.49 6.41 0.11 -1.87 -0.98 132.00 136.12 2f2e h PRO 91 Ca 0.14 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2f2e h PRO 91 Cb 0.34 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 2f2e h PRO 91 CO -0.35 0.70 0.28 1.25 -0.21 0.00 0.00 178.00 179.67 2f2e h LEU 92 N 1.10 0.60 -0.39 2.35 6.46 -1.73 0.06 115.31 123.76 2f2e h LEU 92 Ca 0.37 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2f2e h LEU 92 Cb 0.06 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2f2e h LEU 92 CO -0.14 0.51 0.25 0.25 -0.62 0.00 0.00 178.44 178.70 2f2e h LEU 93 N 0.65 0.44 -0.79 2.25 5.85 -0.43 -0.05 115.31 123.23 2f2e h LEU 93 Ca 0.17 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2f2e h LEU 93 Cb 0.03 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2f2e h LEU 93 CO -0.03 0.32 0.51 0.58 -0.34 0.00 0.00 178.44 179.48 2f2e h VAL 94 N 0.52 1.14 -0.50 1.05 2.07 -0.92 -0.89 116.25 118.73 2f2e h VAL 94 Ca 0.14 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2f2e h VAL 94 Cb -0.06 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 2f2e h VAL 94 CO -0.03 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.84 2f2e h ALA 95 N 1.32 0.66 -0.06 1.67 0.00 -0.44 -0.00 119.26 122.41 2f2e h ALA 95 Ca 0.31 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2f2e h ALA 95 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2f2e h ALA 95 CO -0.10 0.38 0.03 0.82 0.00 0.00 0.00 179.25 180.38 2f2e h ILE 96 N 0.70 1.12 -0.60 0.00 2.04 -0.88 -1.47 117.51 118.42 2f2e h ILE 96 Ca 0.15 -0.35 0.12 0.00 1.00 0.00 0.00 64.86 65.79 2f2e h ILE 96 Cb 0.37 1.23 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 2f2e h ILE 96 CO 0.01 0.10 0.04 -0.09 0.00 0.00 0.00 178.15 178.21 2f2e h ARG 97 N -0.03 0.16 -0.09 2.37 2.43 -0.96 -0.63 114.38 117.63 2f2e h ARG 97 Ca 0.02 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2f2e h ARG 97 Cb 0.13 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2f2e h ARG 97 CO -0.00 0.10 -0.51 1.96 -1.51 0.00 0.00 179.97 180.01 2f2e h GLN 98 N 0.16 0.24 -0.30 0.20 4.20 -0.84 0.13 115.11 118.91 2f2e h GLN 98 Ca 0.31 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 2f2e h GLN 98 Cb 0.49 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2f2e h GLN 98 CO -0.47 0.70 -0.53 2.35 -0.67 0.00 0.00 178.83 180.21 2f2e h TRP 99 N 0.19 1.09 -0.47 2.96 7.01 -0.74 -0.03 115.95 125.96 2f2e h TRP 99 Ca 0.01 -0.38 0.00 0.00 2.11 0.00 0.00 58.89 60.63 2f2e h TRP 99 Cb 0.97 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 2f2e h TRP 99 CO 0.02 1.21 0.31 0.78 -2.79 0.00 0.00 178.44 177.97 2f2e h GLY 100 N 0.71 0.66 0.96 2.65 0.00 -0.76 -0.75 103.07 106.56 2f2e h GLY 100 Ca 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2f2e h GLY 100 CO 0.12 0.25 0.62 0.83 0.00 0.00 0.00 176.54 178.36 2f2e h GLU 101 N 0.64 1.21 0.03 4.80 5.08 -0.46 -0.81 114.58 125.06 2f2e h GLU 101 Ca 0.17 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.24 2f2e h GLU 101 Cb -0.06 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 2f2e h GLU 101 CO -0.04 0.80 -0.98 -0.44 -1.00 0.00 0.00 179.01 177.36 2f2e h ASP 102 N 1.25 0.34 0.00 1.42 3.32 -0.51 -3.40 116.42 118.84 2f2e h ASP 102 Ca 0.36 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2f2e h ASP 102 Cb -0.10 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2f2e h ASP 102 CO -0.09 1.13 -0.00 -1.22 -1.72 0.00 0.00 179.24 177.34 2f2e n TYR 103 N -3.63 0.00 0.20 4.55 4.01 -0.33 -4.85 117.16 117.10 2f2e n TYR 103 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 2f2e n TYR 103 Cb 0.87 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.95 2f2e n TYR 103 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2f2e n PHE 104 N -0.80 0.09 -5.24 -0.72 3.72 -0.32 -4.98 117.46 109.21 2f2e n PHE 104 Ca 0.00 -0.13 -0.31 0.00 -0.05 0.00 0.00 57.45 56.95 2f2e n PHE 104 Cb 0.00 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.37 2f2e n PHE 104 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2f2e s PHE 105 N -0.74 2.44 0.70 1.38 0.08 -1.26 -5.06 117.98 115.51 2f2e s PHE 105 Ca 0.11 -0.61 -0.13 0.00 0.12 0.00 0.00 56.93 56.42 2f2e s PHE 105 Cb 0.07 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 2f2e s PHE 105 CO 0.10 -0.14 1.09 0.00 -0.10 0.00 0.00 175.22 176.17 2f2e s ALA 106 N -0.31 2.45 0.37 5.36 0.00 -1.26 -4.94 121.76 123.43 2f2e s ALA 106 Ca 0.01 0.37 0.12 0.00 0.00 0.00 0.00 51.96 52.46 2f2e s ALA 106 Cb -0.13 -3.28 0.91 0.00 0.00 0.00 0.00 23.12 20.63 2f2e s ALA 106 CO 0.02 -1.40 1.83 -1.35 0.00 0.00 0.00 175.76 174.87 2f2e h PRO 107 N -0.44 0.58 -0.00 0.00 0.11 -2.02 -1.35 132.00 128.88 2f2e h PRO 107 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f2e h PRO 107 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2f2e h PRO 107 CO 0.54 0.38 -0.03 -0.40 -0.21 0.00 0.00 178.00 178.28 2f2e n ASP 108 N -4.60 0.23 -4.88 -2.05 5.75 -1.26 -4.86 116.55 104.87 2f2e n ASP 108 Ca 0.20 -0.67 -0.31 0.00 -0.01 0.00 0.00 54.79 54.00 2f2e n ASP 108 Cb 0.61 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 40.55 2f2e n ASP 108 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2f2e s GLU 109 N -2.29 3.78 0.29 0.11 2.02 -0.51 -5.10 118.70 117.00 2f2e s GLU 109 Ca 0.37 0.25 0.08 0.00 0.02 0.00 0.00 54.97 55.68 2f2e s GLU 109 Cb 0.21 -2.63 -0.06 0.00 0.10 0.00 0.00 34.13 31.75 2f2e s GLU 109 CO 0.42 0.28 -0.08 -1.54 0.02 0.00 0.00 175.26 174.36 2f2e s SER 110 N -2.54 3.03 0.21 -0.19 1.04 -1.26 -4.87 113.70 109.12 2f2e s SER 110 Ca 0.47 -1.18 -0.14 0.00 0.48 0.00 0.00 55.95 55.58 2f2e s SER 110 Cb -0.11 -0.22 0.01 0.00 0.10 0.00 0.00 66.02 65.80 2f2e s SER 110 CO 0.23 -0.29 0.46 -1.38 0.98 0.00 0.00 173.24 173.24 2f2e s HIS 111 N -2.89 0.18 0.98 5.02 -3.43 -1.26 -5.14 115.29 108.74 2f2e s HIS 111 Ca 0.30 -0.54 -0.11 0.00 -0.80 0.00 0.00 55.06 53.91 2f2e s HIS 111 Cb 0.03 0.22 0.18 0.00 -1.43 0.00 0.00 32.58 31.58 2f2e s HIS 111 CO 0.13 -0.91 1.09 0.14 -2.00 0.00 0.00 174.74 173.19 2f2e s VAL 112 N -3.95 2.31 0.09 -5.38 -7.23 -1.26 -5.06 120.40 99.92 2f2e s VAL 112 Ca 0.16 0.10 0.08 0.00 -1.81 0.00 0.00 61.98 60.51 2f2e s VAL 112 Cb -0.00 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 2f2e s VAL 112 CO 0.02 -0.13 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.36 2f2e s ARG 113 N -4.69 1.09 -0.23 4.82 1.81 -1.26 -5.11 118.95 115.38 2f2e s ARG 113 Ca 0.66 -1.10 -0.17 0.00 -1.72 0.00 0.00 55.73 53.40 2f2e s ARG 113 Cb -0.22 -1.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.95 2f2e s ARG 113 CO 0.60 0.30 0.45 -1.17 -0.68 0.00 0.00 175.30 174.80 2f2e s LEU 114 N -1.79 4.11 0.17 2.53 2.96 -1.26 -5.05 118.68 120.34 2f2e s LEU 114 Ca 0.05 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.55 2f2e s LEU 114 Cb -0.10 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 2f2e s LEU 114 CO 0.04 -0.17 -0.16 0.68 -1.32 0.00 0.00 176.35 175.42 2f2e s VAL 115 N 1.76 1.66 0.15 1.68 -7.23 -1.26 -0.89 120.40 116.28 2f2e s VAL 115 Ca 0.20 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.05 2f2e s VAL 115 Cb -0.15 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 2f2e s VAL 115 CO 0.09 -0.47 1.51 -1.61 -0.31 0.00 0.00 175.10 174.31 2f2e s GLU 116 N -3.16 4.25 0.15 4.82 2.02 0.18 -4.78 118.70 122.19 2f2e s GLU 116 Ca 0.17 2.28 -0.21 0.00 0.02 0.00 0.00 54.97 57.23 2f2e s GLU 116 Cb -0.03 -3.18 0.04 0.00 0.10 0.00 0.00 34.13 31.05 2f2e s GLU 116 CO 0.06 -0.55 1.65 0.00 0.02 0.00 0.00 175.26 176.43 2f2e h ARG 117 N 6.77 -0.16 -4.10 1.61 3.08 -1.97 0.06 114.38 119.68 2f2e h ARG 117 Ca -0.42 0.01 -0.76 0.00 0.07 0.00 0.00 59.98 58.87 2f2e h ARG 117 Cb 1.21 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.05 2f2e h ARG 117 CO 0.90 -0.11 0.13 -0.51 -1.07 0.00 0.00 179.97 179.31 2f2e s ASP 118 N -5.09 6.59 0.00 7.04 1.01 -1.26 -4.08 116.67 120.88 2f2e s ASP 118 Ca -0.14 -2.34 0.00 0.00 0.71 0.00 0.00 52.55 50.78 2f2e s ASP 118 Cb 0.12 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.81 2f2e s ASP 118 CO 0.69 -0.73 0.00 -1.20 0.21 0.00 0.00 175.17 174.13 2f2e n SER 119 N 4.72 0.00 0.00 0.27 7.64 -1.22 -4.89 113.62 120.14 2f2e n SER 119 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2f2e n SER 119 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2f2e n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f2e n GLY 120 N 0.00 0.72 3.75 0.23 0.00 0.01 -5.00 105.19 104.89 2f2e n GLY 120 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2f2e n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f2e s GLN 121 N -0.23 4.60 0.37 1.61 -1.52 -1.26 -4.69 119.66 118.53 2f2e s GLN 121 Ca 0.00 1.79 -0.28 0.00 -1.95 0.00 0.00 55.36 54.92 2f2e s GLN 121 Cb 0.00 -3.23 -0.11 0.00 -0.22 0.00 0.00 33.01 29.45 2f2e s GLN 121 CO 0.00 0.11 1.46 -2.30 -0.25 0.00 0.00 175.29 174.30 2f2e n PRO 122 N 1.86 2.58 -1.91 2.91 -0.02 -1.26 -0.64 135.00 138.51 2f2e n PRO 122 Ca 0.01 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.98 2f2e n PRO 122 Cb 0.45 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2f2e n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2f2e s VAL 123 N -1.08 2.48 0.87 -1.45 1.01 -0.06 -4.75 120.40 117.42 2f2e s VAL 123 Ca 0.54 0.37 -0.10 0.00 0.00 0.00 0.00 61.98 62.79 2f2e s VAL 123 Cb -0.49 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 32.76 2f2e s VAL 123 CO 0.63 0.04 1.12 -2.84 0.00 0.00 0.00 175.10 174.06 2f2e s PRO 124 N 0.39 1.44 0.13 2.72 0.02 -1.26 -4.91 135.00 133.53 2f2e s PRO 124 Ca 0.66 1.37 -0.34 0.00 0.02 0.00 0.00 61.00 62.71 2f2e s PRO 124 Cb -0.44 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.15 2f2e s PRO 124 CO 0.38 -2.28 1.63 -2.13 -0.33 0.00 0.00 177.00 174.27 2f2e n ARG 125 N -3.98 2.20 -2.24 5.54 0.63 -1.26 -4.92 116.66 112.64 2f2e n ARG 125 Ca 0.10 0.80 -0.41 0.00 -0.92 0.00 0.00 57.85 57.42 2f2e n ARG 125 Cb 0.53 -2.58 -0.03 0.00 0.45 0.00 0.00 32.46 30.83 2f2e n ARG 125 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2f2e s LEU 126 N 1.34 3.37 0.11 6.15 1.43 -1.26 -5.03 118.68 124.78 2f2e s LEU 126 Ca 0.80 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 2f2e s LEU 126 Cb -0.67 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2f2e s LEU 126 CO 0.39 -1.92 0.11 -1.10 0.23 0.00 0.00 176.35 174.05 2f2e s GLN 127 N 6.02 2.93 0.05 1.70 -0.21 -1.26 -5.01 119.66 123.88 2f2e s GLN 127 Ca 0.59 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 2f2e s GLN 127 Cb -0.13 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2f2e s GLN 127 CO 0.24 0.54 0.96 0.08 -2.12 0.00 0.00 175.29 175.00 2f2e s VAL 128 N -1.51 4.69 0.13 1.09 1.01 -1.26 -5.00 120.40 119.54 2f2e s VAL 128 Ca 0.30 2.05 0.09 0.00 0.00 0.00 0.00 61.98 64.41 2f2e s VAL 128 Cb -0.12 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2f2e s VAL 128 CO 0.23 0.24 -0.20 -0.13 0.00 0.00 0.00 175.10 175.24 2f2e s ARG 129 N 0.49 1.20 0.79 2.72 0.52 -1.26 -0.55 118.95 122.86 2f2e s ARG 129 Ca 0.49 -1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 2f2e s ARG 129 Cb -0.22 -1.40 0.09 0.00 0.52 0.00 0.00 34.95 33.94 2f2e s ARG 129 CO 0.29 0.31 1.13 0.00 0.02 0.00 0.00 175.30 177.05 2f2e s ALA 130 N -1.49 2.82 0.42 2.13 0.00 0.86 -4.77 121.76 121.74 2f2e s ALA 130 Ca 0.10 -0.88 0.18 0.00 0.00 0.00 0.00 51.96 51.36 2f2e s ALA 130 Cb -0.08 -2.76 1.09 0.00 0.00 0.00 0.00 23.12 21.37 2f2e s ALA 130 CO 0.05 -1.65 1.85 0.78 0.00 0.00 0.00 175.76 176.80 2f2e h GLY 131 N -0.95 0.87 1.40 0.00 0.00 -2.01 0.13 103.07 102.50 2f2e h GLY 131 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.70 2f2e h GLY 131 CO 0.58 -0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.21 2f2e n ASP 132 N -4.51 0.00 0.00 0.19 5.68 -1.26 -4.90 116.55 111.75 2f2e n ASP 132 Ca 0.19 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 2f2e n ASP 132 Cb 0.71 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2f2e n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f2e n GLY 133 N 0.87 0.86 3.82 6.12 0.00 0.44 -5.08 105.19 112.22 2f2e n GLY 133 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2f2e n GLY 133 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f2e s SER 134 N -2.84 6.23 0.23 1.61 1.04 -1.26 -4.69 113.70 114.02 2f2e s SER 134 Ca 0.00 1.72 -0.32 0.00 0.48 0.00 0.00 55.95 57.84 2f2e s SER 134 Cb 0.00 -2.53 -0.13 0.00 0.10 0.00 0.00 66.02 63.46 2f2e s SER 134 CO 0.00 -0.86 1.47 -2.65 0.98 0.00 0.00 173.24 172.19 2f2e n PRO 135 N -1.68 2.16 -4.27 4.02 -0.02 -1.26 -0.10 135.00 133.85 2f2e n PRO 135 Ca 0.08 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 2f2e n PRO 135 Cb 0.53 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.38 2f2e n PRO 135 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2f2e s LEU 136 N 0.19 2.16 0.46 2.45 2.96 0.29 -4.67 118.68 122.53 2f2e s LEU 136 Ca 0.70 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2f2e s LEU 136 Cb -0.63 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 2f2e s LEU 136 CO 0.47 0.02 0.81 0.00 -1.32 0.00 0.00 176.35 176.33 2f2e s ALA 137 N 1.16 3.34 0.24 5.97 0.00 -1.26 -4.58 121.76 126.62 2f2e s ALA 137 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 2f2e s ALA 137 Cb -0.14 -2.70 0.32 0.00 0.00 0.00 0.00 23.12 20.60 2f2e s ALA 137 CO -0.09 -0.22 1.86 0.00 0.00 0.00 0.00 175.76 177.31 2f2e h ALA 138 N 0.68 1.20 0.00 0.00 0.00 -1.99 -1.22 119.26 117.93 2f2e h ALA 138 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2f2e h ALA 138 Cb 1.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2f2e h ALA 138 CO 0.63 0.34 0.00 1.05 0.00 0.00 0.00 179.25 181.27 2f2e h GLU 139 N 1.03 0.00 -0.47 0.00 9.09 -2.05 -1.81 114.58 120.38 2f2e h GLU 139 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 2f2e h GLU 139 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2f2e h GLU 139 CO -0.16 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.65 2f2e n ASP 140 N -2.92 2.23 -4.52 3.06 8.00 -0.46 -4.86 116.55 117.08 2f2e n ASP 140 Ca -0.00 -2.11 -0.25 0.00 0.71 0.00 0.00 54.79 53.14 2f2e n ASP 140 Cb 0.21 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 2f2e n ASP 140 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2f2e s THR 141 N -1.61 1.87 0.11 -3.53 -4.23 -0.68 -4.96 115.64 102.61 2f2e s THR 141 Ca 0.24 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.52 2f2e s THR 141 Cb 0.14 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2f2e s THR 141 CO 0.14 -0.15 0.31 0.00 -0.54 0.00 0.00 174.62 174.37 2f2e s ARG 142 N -3.71 0.99 -0.23 3.99 1.70 -1.26 -5.02 118.95 115.41 2f2e s ARG 142 Ca 0.33 -0.85 -0.12 0.00 -0.47 0.00 0.00 55.73 54.62 2f2e s ARG 142 Cb 0.06 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.80 2f2e s ARG 142 CO 0.15 -0.36 0.23 0.08 -1.08 0.00 0.00 175.30 174.32 2f2e s VAL 143 N -3.84 5.31 -0.07 4.99 1.01 -1.26 -5.09 120.40 121.46 2f2e s VAL 143 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2f2e s VAL 143 Cb 0.03 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2f2e s VAL 143 CO -0.11 0.32 -0.12 -0.55 0.00 0.00 0.00 175.10 174.64 2f2e s SER 144 N 1.06 4.20 0.00 3.32 0.15 -1.26 -5.35 113.70 115.82 2f2e s SER 144 Ca 0.11 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 56.74 2f2e s SER 144 Cb -0.14 -1.09 0.93 0.00 -1.71 0.00 0.00 66.02 64.01 2f2e s SER 144 CO 0.05 0.31 1.34 0.54 1.20 0.00 0.00 173.24 176.69