#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6e s TRP 3 N 0.00 3.39 -2.43 -1.77 0.52 -1.26 -4.76 118.94 112.64 2b6e s TRP 3 Ca 0.00 1.47 0.23 0.00 0.02 0.00 0.00 56.10 57.82 2b6e s TRP 3 Cb 0.00 -3.45 0.69 0.00 -1.15 0.00 0.00 33.47 29.57 2b6e s TRP 3 CO 0.00 -1.20 1.53 1.63 0.02 0.00 0.00 176.95 178.93 2b6e n LYS 4 N 1.92 1.92 -4.32 4.98 4.76 -0.04 -4.85 118.16 122.54 2b6e n LYS 4 Ca 0.02 -1.37 -0.19 0.00 -2.87 0.00 0.00 58.31 53.90 2b6e n LYS 4 Cb 0.44 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.06 2b6e n LYS 4 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2b6e s LYS 5 N -1.80 0.86 -0.11 1.97 1.02 -1.14 -4.58 119.74 115.96 2b6e s LYS 5 Ca 0.34 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.54 2b6e s LYS 5 Cb 0.19 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.62 2b6e s LYS 5 CO 0.29 0.21 0.19 -0.08 -0.92 0.00 0.00 175.35 175.04 2b6e s THR 6 N -0.83 5.41 0.26 2.17 -1.32 -1.26 -5.01 115.64 115.06 2b6e s THR 6 Ca 0.01 0.33 -0.08 0.00 -1.21 0.00 0.00 61.69 60.73 2b6e s THR 6 Cb -0.07 -3.47 0.03 0.00 -1.51 0.00 0.00 72.50 67.48 2b6e s THR 6 CO 0.01 0.58 0.49 2.22 -2.21 0.00 0.00 174.62 175.71 2b6e n PHE 7 N 2.22 -1.75 -4.04 9.09 1.16 -1.26 -5.17 117.46 117.71 2b6e n PHE 7 Ca -0.18 -1.33 -0.09 0.00 -1.87 0.00 0.00 57.45 53.97 2b6e n PHE 7 Cb 0.54 0.57 -0.11 0.00 -1.61 0.00 0.00 39.48 38.87 2b6e n PHE 7 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2b6e s THR 8 N -2.46 0.28 0.39 1.97 -4.23 -1.26 -5.04 115.64 105.29 2b6e s THR 8 Ca 0.13 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 2b6e s THR 8 Cb -0.03 -0.81 0.27 0.00 1.34 0.00 0.00 72.50 73.28 2b6e s THR 8 CO 0.09 -0.65 2.04 -0.07 -0.54 0.00 0.00 174.62 175.49 2b6e h LEU 9 N 4.05 0.55 -0.73 4.79 3.38 -1.97 -2.09 115.31 123.29 2b6e h LEU 9 Ca -0.34 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2b6e h LEU 9 Cb 1.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2b6e h LEU 9 CO 0.50 0.39 0.35 -0.08 0.09 0.00 0.00 178.44 179.70 2b6e h GLU 10 N 0.65 1.05 -0.34 1.13 4.81 -1.96 -1.81 114.58 118.11 2b6e h GLU 10 Ca 0.19 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2b6e h GLU 10 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2b6e h GLU 10 CO -0.04 0.82 0.10 -0.91 -0.73 0.00 0.00 179.01 178.25 2b6e h ASN 11 N 1.02 0.49 -0.73 1.04 -0.26 -1.80 -1.44 115.58 113.91 2b6e h ASN 11 Ca 0.25 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 2b6e h ASN 11 Cb 0.11 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 2b6e h ASN 11 CO -0.03 0.57 0.40 -0.07 -1.06 0.00 0.00 177.43 177.24 2b6e h LEU 12 N 0.39 0.91 -0.90 1.61 3.38 -1.26 0.68 115.31 120.12 2b6e h LEU 12 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2b6e h LEU 12 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2b6e h LEU 12 CO -0.00 0.75 -0.34 0.78 0.09 0.00 0.00 178.44 179.71 2b6e h ASN 13 N 1.00 0.41 -0.15 -0.43 2.35 -1.24 -1.97 115.58 115.55 2b6e h ASN 13 Ca 0.26 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 2b6e h ASN 13 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2b6e h ASN 13 CO -0.04 0.73 -0.30 -0.61 -1.65 0.00 0.00 177.43 175.56 2b6e h GLN 14 N 0.34 0.63 0.00 0.81 5.75 -0.59 -2.32 115.11 119.74 2b6e h GLN 14 Ca 0.04 -0.28 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 2b6e h GLN 14 Cb 0.77 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2b6e h GLN 14 CO 0.06 0.86 -0.18 1.25 -2.65 0.00 0.00 178.83 178.17 2b6e h LEU 15 N 0.54 0.00 -1.93 -2.39 5.85 -0.45 -2.75 115.31 114.18 2b6e h LEU 15 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2b6e h LEU 15 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2b6e h LEU 15 CO 0.06 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 2b6e s SER 17 N -1.76 5.68 -1.22 0.00 1.04 -0.90 -3.51 113.70 113.02 2b6e s SER 17 Ca 0.34 2.44 -0.04 0.00 0.48 0.00 0.00 55.95 59.16 2b6e s SER 17 Cb 0.21 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 2b6e s SER 17 CO 0.31 -1.27 0.79 -3.20 0.98 0.00 0.00 173.24 170.85 2b6e n ASN 18 N -0.94 -2.87 -1.94 7.02 5.15 -1.26 -4.95 115.26 115.46 2b6e n ASN 18 Ca 0.10 -0.81 -0.07 0.00 -0.60 0.00 0.00 54.58 53.20 2b6e n ASN 18 Cb 0.48 -4.28 -0.01 0.00 -0.53 0.00 0.00 39.78 35.43 2b6e n ASN 18 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2b6e n SER 19 N -3.03 -0.72 0.24 1.20 3.41 -1.24 -5.01 113.62 108.47 2b6e n SER 19 Ca -0.23 -1.89 0.08 0.00 -0.26 0.00 0.00 58.87 56.57 2b6e n SER 19 Cb 0.65 1.31 0.58 0.00 -0.26 0.00 0.00 64.21 66.49 2b6e n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b6e h ALA 20 N 1.76 1.63 -0.17 7.33 0.00 -1.95 -0.76 119.26 127.11 2b6e h ALA 20 Ca -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2b6e h ALA 20 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2b6e h ALA 20 CO 0.18 0.18 0.07 0.28 0.00 0.00 0.00 179.25 179.96 2b6e h VAL 21 N 0.00 1.16 -0.01 0.00 2.07 -1.95 -1.37 116.25 116.15 2b6e h VAL 21 Ca -0.00 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 66.86 2b6e h VAL 21 Cb 0.28 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2b6e h VAL 21 CO 0.02 0.15 -0.78 0.77 0.02 0.00 0.00 177.57 177.75 2b6e h SER 22 N 0.12 0.19 -0.06 0.57 4.64 -1.53 -1.45 113.55 116.03 2b6e h SER 22 Ca 0.06 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2b6e h SER 22 Cb 0.18 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2b6e h SER 22 CO -0.00 0.89 -0.06 -0.74 -0.87 0.00 0.00 176.83 176.04 2b6e h HIS 23 N 0.09 0.31 -0.22 4.77 2.76 -0.96 -1.62 115.15 120.28 2b6e h HIS 23 Ca -0.03 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2b6e h HIS 23 Cb 1.37 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2b6e h HIS 23 CO 0.02 0.37 0.00 1.28 -1.30 0.00 0.00 177.93 178.30 2b6e n LEU 24 N -4.31 1.73 -0.42 0.26 4.77 -0.53 -4.91 117.00 113.59 2b6e n LEU 24 Ca -0.00 -0.77 -0.05 0.00 -0.03 0.00 0.00 56.01 55.16 2b6e n LEU 24 Cb 0.23 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2b6e n LEU 24 CO 0.38 0.38 -0.05 0.61 -1.33 0.00 0.00 177.39 177.38 2b6e n GLY 25 N 1.11 0.77 3.74 -0.72 0.00 -0.61 -4.54 105.19 104.94 2b6e n GLY 25 Ca 0.15 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2b6e n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b6e s ILE 26 N -2.05 3.56 -0.05 -0.61 1.01 -0.55 -4.38 121.20 118.13 2b6e s ILE 26 Ca 0.00 1.36 0.01 0.00 0.00 0.00 0.00 60.65 62.02 2b6e s ILE 26 Cb 0.00 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2b6e s ILE 26 CO 0.00 0.24 -0.05 -0.70 0.00 0.00 0.00 174.94 174.44 2b6e s GLU 27 N -0.51 0.85 -0.49 2.79 2.12 -0.34 -4.54 118.70 118.59 2b6e s GLU 27 Ca 0.51 -0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.45 2b6e s GLU 27 Cb -0.32 -0.87 -0.00 0.00 0.26 0.00 0.00 34.13 33.19 2b6e s GLU 27 CO 0.38 -0.09 1.63 0.42 -0.54 0.00 0.00 175.26 177.06 2b6e s ILE 28 N 0.96 3.61 -0.08 -3.70 -1.09 -1.26 -0.45 121.20 119.18 2b6e s ILE 28 Ca -0.10 0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 58.74 2b6e s ILE 28 Cb -0.14 -4.06 -0.29 0.00 -1.58 0.00 0.00 42.46 36.39 2b6e s ILE 28 CO -0.00 -0.84 0.55 0.77 -1.23 0.00 0.00 174.94 174.20 2b6e h SER 29 N 12.51 0.51 -5.02 3.58 4.64 -1.62 -3.47 113.55 124.68 2b6e h SER 29 Ca -0.29 -0.92 0.06 0.00 -0.47 0.00 0.00 61.79 60.17 2b6e h SER 29 Cb 1.13 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.99 2b6e h SER 29 CO 1.13 1.78 0.25 0.00 -0.87 0.00 0.00 176.83 179.12 2b6e s ALA 30 N -2.55 -1.32 0.08 5.18 0.00 -1.17 -5.00 121.76 116.97 2b6e s ALA 30 Ca -0.19 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 2b6e s ALA 30 Cb 0.06 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.06 2b6e s ALA 30 CO 0.81 -0.99 0.49 -0.59 0.00 0.00 0.00 175.76 175.49 2b6e s PHE 31 N -3.84 -0.37 0.00 0.00 -0.71 -1.26 0.72 117.98 112.52 2b6e s PHE 31 Ca 0.09 0.29 0.00 0.00 -1.04 0.00 0.00 56.93 56.27 2b6e s PHE 31 Cb -0.05 0.34 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 2b6e s PHE 31 CO 0.03 -0.68 0.00 0.41 -1.34 0.00 0.00 175.22 173.64 2b6e n GLY 32 N 0.15 6.42 0.14 1.99 0.00 0.15 -4.96 105.19 109.07 2b6e n GLY 32 Ca -0.18 -1.79 0.01 0.00 0.00 0.00 0.00 46.02 44.07 2b6e n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2b6e h GLU 33 N 0.00 0.00 0.00 1.61 5.08 -2.03 -3.36 114.58 115.87 2b6e h GLU 33 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2b6e h GLU 33 Cb 0.00 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 28.93 2b6e h GLU 33 CO 0.00 0.56 -0.94 -0.40 -1.00 0.00 0.00 179.01 177.23 2b6e n ASP 34 N -3.30 0.90 -3.47 1.42 5.68 -1.26 -2.05 116.55 114.46 2b6e n ASP 34 Ca 0.01 -2.08 -0.11 0.00 -0.50 0.00 0.00 54.79 52.11 2b6e n ASP 34 Cb 0.73 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 40.39 2b6e n ASP 34 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 2b6e s TRP 35 N -0.15 -0.46 -0.08 2.11 1.48 -1.26 -4.49 118.94 116.09 2b6e s TRP 35 Ca 0.29 0.25 -0.14 0.00 -1.06 0.00 0.00 56.10 55.45 2b6e s TRP 35 Cb 0.33 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 33.24 2b6e s TRP 35 CO -0.14 -0.79 0.34 -1.50 -4.06 0.00 0.00 176.95 170.80 2b6e s ILE 36 N -3.58 0.02 0.24 0.66 2.07 -1.15 0.31 121.20 119.77 2b6e s ILE 36 Ca 0.03 -0.19 0.10 0.00 -1.41 0.00 0.00 60.65 59.18 2b6e s ILE 36 Cb -0.01 -0.55 -0.05 0.00 0.13 0.00 0.00 42.46 41.98 2b6e s ILE 36 CO -0.10 -0.10 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.04 2b6e s GLU 37 N -0.43 1.50 -0.03 3.50 2.02 0.22 -1.48 118.70 124.01 2b6e s GLU 37 Ca -0.06 -1.67 -0.04 0.00 0.02 0.00 0.00 54.97 53.22 2b6e s GLU 37 Cb -0.04 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.74 2b6e s GLU 37 CO 0.02 0.26 0.09 0.00 0.02 0.00 0.00 175.26 175.66 2b6e s ALA 38 N -2.70 -0.23 0.00 5.21 0.00 -0.84 -1.59 121.76 121.61 2b6e s ALA 38 Ca 0.26 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.37 2b6e s ALA 38 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2b6e s ALA 38 CO 0.11 -0.08 0.00 0.25 0.00 0.00 0.00 175.76 176.04 2b6e n THR 39 N 2.68 0.00 -4.35 0.00 -2.24 0.40 -1.14 114.28 109.62 2b6e n THR 39 Ca -0.15 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.38 2b6e n THR 39 Cb 0.58 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 68.23 2b6e n THR 39 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2b6e s PRO 41 N -1.76 1.91 -0.85 -0.78 0.04 -1.26 -1.20 135.00 131.09 2b6e s PRO 41 Ca 0.00 -1.45 0.00 0.00 0.04 0.00 0.00 61.00 59.59 2b6e s PRO 41 Cb 0.00 -2.02 0.21 0.00 0.04 0.00 0.00 34.50 32.73 2b6e s PRO 41 CO 0.00 0.39 0.73 0.28 0.04 0.00 0.00 177.00 178.45 2b6e n VAL 42 N -0.20 2.73 -4.07 -0.36 0.31 -0.13 -4.68 118.33 111.92 2b6e n VAL 42 Ca -0.09 -5.08 -0.03 0.00 -0.01 0.00 0.00 64.34 59.13 2b6e n VAL 42 Cb 0.57 -2.32 -0.01 0.00 -0.91 0.00 0.00 33.84 31.17 2b6e n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2b6e n ASP 43 N 2.16 1.15 0.12 4.52 5.68 -1.26 -4.49 116.55 124.43 2b6e n ASP 43 Ca 0.22 -1.27 0.08 0.00 -0.50 0.00 0.00 54.79 53.32 2b6e n ASP 43 Cb 0.36 0.12 0.43 0.00 -1.14 0.00 0.00 41.12 40.89 2b6e n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b6e n HIS 44 N -0.12 0.54 0.13 2.11 1.44 -1.26 -0.64 115.22 117.42 2b6e n HIS 44 Ca -0.01 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 2b6e n HIS 44 Cb 0.08 -0.95 0.10 0.00 0.12 0.00 0.00 29.99 29.34 2b6e n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2b6e h ARG 45 N 0.00 0.00 -2.23 -1.40 3.08 -1.95 -3.47 114.38 108.41 2b6e h ARG 45 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2b6e h ARG 45 Cb 0.01 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.64 2b6e h ARG 45 CO 0.00 0.61 -0.73 0.25 -1.07 0.00 0.00 179.97 179.03 2b6e n THR 46 N -3.42 2.56 -4.38 2.04 -2.24 0.19 -5.00 114.28 104.03 2b6e n THR 46 Ca 0.00 -5.42 -0.21 0.00 -2.27 0.00 0.00 64.05 56.16 2b6e n THR 46 Cb 0.71 -1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 2b6e n THR 46 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2b6e s GLN 48 N -3.31 1.41 0.00 -0.78 0.74 0.91 -0.45 119.66 118.17 2b6e s GLN 48 Ca 0.48 -1.60 0.00 0.00 0.05 0.00 0.00 55.36 54.29 2b6e s GLN 48 Cb 0.29 -1.34 0.00 0.00 1.10 0.00 0.00 33.01 33.06 2b6e s GLN 48 CO -0.13 0.24 0.46 -2.30 -0.55 0.00 0.00 175.29 173.01 2b6e n PRO 49 N -0.30 0.00 -0.13 1.67 -0.02 -1.26 -1.36 135.00 133.61 2b6e n PRO 49 Ca -0.08 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.50 2b6e n PRO 49 Cb 0.60 -1.47 0.16 0.00 -0.02 0.00 0.00 33.50 32.77 2b6e n PRO 49 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2b6e n PHE 50 N -0.96 0.33 -0.34 6.00 3.01 -1.26 -4.98 117.46 119.26 2b6e n PHE 50 Ca 0.00 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.27 2b6e n PHE 50 Cb 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2b6e n PHE 50 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b6e n GLY 51 N 1.23 0.74 3.49 1.37 0.00 -0.46 -5.08 105.19 106.47 2b6e n GLY 51 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2b6e n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2b6e s VAL 52 N -2.39 2.60 -0.00 1.61 -7.23 -1.26 -4.75 120.40 108.99 2b6e s VAL 52 Ca 0.00 -2.23 -0.37 0.00 -1.81 0.00 0.00 61.98 57.56 2b6e s VAL 52 Cb 0.00 -2.34 -0.16 0.00 0.56 0.00 0.00 36.38 34.44 2b6e s VAL 52 CO 0.00 -0.32 1.48 -0.11 -0.31 0.00 0.00 175.10 175.84 2b6e n LEU 53 N -0.43 2.03 -4.66 1.32 7.94 -0.18 -0.06 117.00 122.95 2b6e n LEU 53 Ca -0.07 1.10 -0.42 0.00 -1.11 0.00 0.00 56.01 55.50 2b6e n LEU 53 Cb 0.59 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 2b6e n LEU 53 CO 0.36 -0.79 1.29 -2.28 -1.11 0.00 0.00 177.39 174.86 2b6e s HIS 54 N 1.39 2.21 0.25 1.96 5.65 0.40 -4.64 115.29 122.51 2b6e s HIS 54 Ca 0.88 0.41 -0.04 0.00 0.25 0.00 0.00 55.06 56.56 2b6e s HIS 54 Cb -0.95 -3.81 0.42 0.00 -1.18 0.00 0.00 32.58 27.07 2b6e s HIS 54 CO 0.51 -3.27 1.80 0.78 -0.65 0.00 0.00 174.74 173.90 2b6e h GLY 55 N 10.10 1.29 1.24 1.59 0.00 -1.89 -1.32 103.07 114.09 2b6e h GLY 55 Ca -0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 2b6e h GLY 55 CO 0.96 0.09 0.26 -1.33 0.00 0.00 0.00 176.54 176.52 2b6e h GLY 56 N 0.75 1.04 1.98 4.60 0.00 -1.97 -2.15 103.07 107.32 2b6e h GLY 56 Ca 0.41 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2b6e h GLY 56 CO -0.27 0.51 -0.40 -2.08 0.00 0.00 0.00 176.54 174.30 2b6e h VAL 57 N 0.95 1.29 -0.61 4.60 2.07 -1.61 -2.11 116.25 120.83 2b6e h VAL 57 Ca 0.22 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2b6e h VAL 57 Cb 0.19 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2b6e h VAL 57 CO -0.02 0.40 0.28 0.28 0.02 0.00 0.00 177.57 178.53 2b6e h SER 58 N 0.02 0.81 -0.77 0.57 0.02 -0.67 -1.44 113.55 112.09 2b6e h SER 58 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 2b6e h SER 58 Cb 0.72 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.02 2b6e h SER 58 CO 0.05 0.73 0.35 0.58 -1.14 0.00 0.00 176.83 177.40 2b6e h VAL 59 N 0.84 1.25 -0.88 2.27 2.07 -1.18 -0.61 116.25 120.01 2b6e h VAL 59 Ca 0.21 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2b6e h VAL 59 Cb 0.15 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 2b6e h VAL 59 CO -0.02 0.31 0.56 0.00 0.02 0.00 0.00 177.57 178.44 2b6e h ALA 60 N 1.26 1.17 -0.35 1.67 0.00 -0.69 0.13 119.26 122.45 2b6e h ALA 60 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2b6e h ALA 60 Cb 0.15 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2b6e h ALA 60 CO -0.03 0.39 0.06 1.25 0.00 0.00 0.00 179.25 180.93 2b6e h LEU 61 N 1.08 0.55 -0.08 0.00 5.85 -0.53 -1.71 115.31 120.47 2b6e h LEU 61 Ca 0.36 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2b6e h LEU 61 Cb 0.04 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2b6e h LEU 61 CO -0.13 0.67 -0.03 0.00 -0.34 0.00 0.00 178.44 178.61 2b6e h ALA 62 N 0.91 0.05 -0.03 1.25 0.00 -0.14 -1.55 119.26 119.75 2b6e h ALA 62 Ca 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2b6e h ALA 62 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2b6e h ALA 62 CO 0.01 -0.49 -0.32 1.49 0.00 0.00 0.00 179.25 179.93 2b6e h GLU 63 N -0.01 0.05 0.55 0.00 4.81 -0.75 -0.52 114.58 118.71 2b6e h GLU 63 Ca 0.04 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2b6e h GLU 63 Cb 0.07 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.45 2b6e h GLU 63 CO -0.09 0.37 -0.27 1.15 -0.73 0.00 0.00 179.01 179.45 2b6e h THR 64 N 0.05 0.37 -0.08 0.32 2.02 -0.81 -1.44 112.91 113.33 2b6e h THR 64 Ca 0.00 -0.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 2b6e h THR 64 Cb 0.60 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2b6e h THR 64 CO 0.04 0.04 -0.44 -0.29 0.37 0.00 0.00 175.52 175.24 2b6e h ILE 65 N -0.95 1.32 -0.26 3.11 6.09 -1.25 -1.88 117.51 123.69 2b6e h ILE 65 Ca -0.08 -1.58 -0.11 0.00 -1.37 0.00 0.00 64.86 61.72 2b6e h ILE 65 Cb 0.63 1.75 -0.00 0.00 0.47 0.00 0.00 36.82 39.67 2b6e h ILE 65 CO 0.12 0.47 -0.27 1.23 -3.07 0.00 0.00 178.15 176.63 2b6e h GLY 66 N 1.28 0.71 0.87 8.18 0.00 -1.11 -1.57 103.07 111.43 2b6e h GLY 66 Ca 0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 2b6e h GLY 66 CO 0.07 0.66 -0.00 1.76 0.00 0.00 0.00 176.54 179.02 2b6e h SER 67 N 0.37 0.49 -0.41 0.19 0.02 -1.21 -0.95 113.55 112.06 2b6e h SER 67 Ca 0.04 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.71 2b6e h SER 67 Cb 0.84 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 2b6e h SER 67 CO 0.07 0.68 0.21 0.25 -1.14 0.00 0.00 176.83 176.90 2b6e h LEU 68 N 0.28 0.31 -0.64 5.07 5.85 -1.36 -1.08 115.31 123.75 2b6e h LEU 68 Ca 0.08 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2b6e h LEU 68 Cb 0.44 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2b6e h LEU 68 CO 0.02 0.23 0.36 0.00 -0.34 0.00 0.00 178.44 178.70 2b6e h ALA 69 N 1.21 0.84 -0.28 1.25 0.00 -1.11 -2.01 119.26 119.16 2b6e h ALA 69 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2b6e h ALA 69 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2b6e h ALA 69 CO -0.11 0.06 0.17 0.78 0.00 0.00 0.00 179.25 180.15 2b6e h GLY 70 N 0.68 0.39 1.76 0.00 0.00 -0.43 -2.58 103.07 102.90 2b6e h GLY 70 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2b6e h GLY 70 CO -0.16 0.15 0.08 1.48 0.00 0.00 0.00 176.54 178.10 2b6e h SER 71 N 0.36 0.28 1.11 0.19 4.64 -0.84 -1.30 113.55 117.99 2b6e h SER 71 Ca 0.10 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2b6e h SER 71 Cb -0.01 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2b6e h SER 71 CO -0.02 0.27 0.00 -0.07 -0.87 0.00 0.00 176.83 176.14 2b6e h LEU 72 N 0.32 0.00 -1.52 5.97 3.38 -0.99 -2.74 115.31 119.73 2b6e h LEU 72 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2b6e h LEU 72 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2b6e h LEU 72 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 2b6e s LEU 74 N -1.61 3.11 0.73 0.00 1.43 -1.04 -4.34 118.68 116.96 2b6e s LEU 74 Ca 0.34 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.20 2b6e s LEU 74 Cb 0.19 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.70 2b6e s LEU 74 CO 0.29 0.31 1.07 -1.83 0.23 0.00 0.00 176.35 176.42 2b6e s GLU 75 N -1.22 2.62 0.33 1.70 4.04 -1.26 -4.43 118.70 120.47 2b6e s GLU 75 Ca 0.15 0.87 -0.25 0.00 0.04 0.00 0.00 54.97 55.79 2b6e s GLU 75 Cb -0.11 -1.96 -0.14 0.00 0.02 0.00 0.00 34.13 31.94 2b6e s GLU 75 CO 0.05 -1.31 0.58 0.39 -1.84 0.00 0.00 175.26 173.13 2b6e n GLU 76 N -3.26 0.51 0.00 -4.83 -0.58 -1.26 -2.30 120.64 108.92 2b6e n GLU 76 Ca 0.07 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2b6e n GLU 76 Cb 0.54 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 2b6e n GLU 76 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b6e n GLY 77 N 1.80 3.36 3.47 0.62 0.00 -1.26 -5.04 105.19 108.13 2b6e n GLY 77 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2b6e n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b6e s LYS 78 N -0.73 2.20 0.18 1.61 1.02 -0.97 -0.26 119.74 122.79 2b6e s LYS 78 Ca 0.00 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.13 2b6e s LYS 78 Cb 0.00 -2.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 2b6e s LYS 78 CO 0.00 0.56 0.15 -2.37 -0.92 0.00 0.00 175.35 172.78 2b6e n THR 79 N 1.74 0.00 -4.38 2.17 5.66 -0.30 -4.73 114.28 114.44 2b6e n THR 79 Ca -0.16 -1.30 -0.22 0.00 -3.05 0.00 0.00 64.05 59.32 2b6e n THR 79 Cb 0.52 0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 69.85 2b6e n THR 79 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2b6e s VAL 80 N -2.73 2.02 -0.06 1.08 -7.23 -1.26 -1.88 120.40 110.34 2b6e s VAL 80 Ca 0.21 -2.16 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2b6e s VAL 80 Cb 0.01 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.90 2b6e s VAL 80 CO 0.15 -0.42 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.73 2b6e s VAL 81 N -2.46 0.95 -0.02 1.32 1.01 -0.59 -4.95 120.40 115.66 2b6e s VAL 81 Ca 0.22 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2b6e s VAL 81 Cb -0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2b6e s VAL 81 CO 0.09 0.31 1.51 -0.83 0.00 0.00 0.00 175.10 176.19 2b6e s GLY 82 N 0.70 1.68 -0.23 4.51 0.00 -1.26 -0.81 107.32 111.91 2b6e s GLY 82 Ca -0.13 0.93 -0.17 0.00 0.00 0.00 0.00 44.72 45.35 2b6e s GLY 82 CO 0.03 2.74 -0.12 1.04 0.00 0.00 0.00 173.10 176.79 2b6e n LEU 83 N 6.03 1.91 -3.56 0.66 4.32 -0.06 -4.92 117.00 121.37 2b6e n LEU 83 Ca 0.15 0.40 -0.09 0.00 -0.02 0.00 0.00 56.01 56.44 2b6e n LEU 83 Cb 0.43 -0.88 -0.02 0.00 -1.62 0.00 0.00 43.42 41.33 2b6e n LEU 83 CO 0.60 0.30 0.50 1.51 -1.22 0.00 0.00 177.39 179.08 2b6e s ASP 84 N -6.98 -0.43 -0.05 -1.43 1.47 -1.11 -5.02 116.67 103.13 2b6e s ASP 84 Ca -0.32 -0.17 -0.25 0.00 1.18 0.00 0.00 52.55 52.98 2b6e s ASP 84 Cb 0.09 0.58 0.05 0.00 -0.34 0.00 0.00 42.92 43.31 2b6e s ASP 84 CO 0.50 -0.98 0.56 -0.51 0.68 0.00 0.00 175.17 175.41 2b6e s ILE 85 N -3.63 0.02 0.09 2.11 2.07 -1.26 -1.02 121.20 119.57 2b6e s ILE 85 Ca 0.05 -0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 2b6e s ILE 85 Cb -0.02 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 2b6e s ILE 85 CO -0.06 -0.08 0.02 0.54 -1.91 0.00 0.00 174.94 173.44 2b6e s ASN 86 N -1.10 0.39 -0.11 4.50 2.20 -0.97 -5.01 114.94 114.84 2b6e s ASN 86 Ca -0.11 -1.08 -0.30 0.00 -0.94 0.00 0.00 52.86 50.43 2b6e s ASN 86 Cb -0.02 0.25 0.10 0.00 -2.00 0.00 0.00 41.25 39.58 2b6e s ASN 86 CO 0.07 -0.66 0.87 0.00 -2.94 0.00 0.00 177.10 174.44 2b6e s ALA 87 N -3.97 -1.87 -0.11 3.54 0.00 -1.26 -2.12 121.76 115.97 2b6e s ALA 87 Ca 0.14 1.47 0.01 0.00 0.00 0.00 0.00 51.96 53.58 2b6e s ALA 87 Cb 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2b6e s ALA 87 CO -0.05 -0.34 -0.15 -0.80 0.00 0.00 0.00 175.76 174.42 2b6e s ASN 88 N -1.18 3.89 -0.35 0.00 -0.87 0.04 -4.98 114.94 111.49 2b6e s ASN 88 Ca -0.05 -0.34 -0.18 0.00 -1.57 0.00 0.00 52.86 50.72 2b6e s ASN 88 Cb -0.00 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.25 39.76 2b6e s ASN 88 CO 0.05 0.19 0.52 -1.00 -2.57 0.00 0.00 177.10 174.29 2b6e s HIS 89 N 0.18 3.18 -0.06 2.20 3.76 -1.26 -2.16 115.29 121.13 2b6e s HIS 89 Ca -0.09 0.19 0.07 0.00 -0.15 0.00 0.00 55.06 55.08 2b6e s HIS 89 Cb -0.15 -2.95 -0.24 0.00 1.11 0.00 0.00 32.58 30.35 2b6e s HIS 89 CO 0.05 -0.55 0.61 -0.07 -0.85 0.00 0.00 174.74 173.93 2b6e h LEU 90 N 9.12 0.12 -7.00 0.89 3.38 -1.22 -3.49 115.31 117.11 2b6e h LEU 90 Ca -0.28 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2b6e h LEU 90 Cb 1.12 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 2b6e h LEU 90 CO 0.78 1.23 0.35 0.00 0.09 0.00 0.00 178.44 180.89 2b6e s ARG 91 N -2.59 0.93 0.43 1.13 1.70 -1.22 -5.02 118.95 114.31 2b6e s ARG 91 Ca -0.09 -0.04 -0.24 0.00 -0.47 0.00 0.00 55.73 54.89 2b6e s ARG 91 Cb 0.08 0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 2b6e s ARG 91 CO 0.81 -0.34 1.19 -1.25 -1.08 0.00 0.00 175.30 174.63 2b6e s PRO 92 N -2.09 3.87 -0.24 3.89 0.04 -1.26 -4.85 135.00 134.35 2b6e s PRO 92 Ca -0.03 1.85 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2b6e s PRO 92 Cb -0.01 -2.54 0.05 0.00 0.04 0.00 0.00 34.50 32.05 2b6e s PRO 92 CO -0.01 -0.48 -0.11 0.08 0.04 0.00 0.00 177.00 176.52 2b6e s VAL 93 N -1.46 2.02 0.01 -0.36 1.01 -1.26 -5.01 120.40 115.35 2b6e s VAL 93 Ca 0.61 -1.44 0.09 0.00 0.00 0.00 0.00 61.98 61.24 2b6e s VAL 93 Cb -0.31 -2.11 -0.23 0.00 0.00 0.00 0.00 36.38 33.73 2b6e s VAL 93 CO 0.38 0.05 0.85 0.03 0.00 0.00 0.00 175.10 176.41 2b6e h ARG 94 N 7.84 0.03 0.00 2.72 2.47 -1.96 -0.45 114.38 125.03 2b6e h ARG 94 Ca -0.23 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 2b6e h ARG 94 Cb 1.06 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2b6e h ARG 94 CO 0.48 0.70 0.02 -1.13 0.56 0.00 0.00 179.97 180.60 2b6e n SER 95 N -3.18 -0.26 0.00 7.04 3.41 -1.26 -4.88 113.62 114.50 2b6e n SER 95 Ca -0.12 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2b6e n SER 95 Cb 1.02 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 2b6e n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b6e n GLY 96 N -0.07 0.13 3.30 5.00 0.00 -1.26 -4.78 105.19 107.51 2b6e n GLY 96 Ca -0.01 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 2b6e n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b6e s LYS 97 N 0.00 1.19 0.13 1.61 -2.85 -1.26 -0.96 119.74 117.59 2b6e s LYS 97 Ca 0.00 -1.40 0.05 0.00 -1.00 0.00 0.00 55.97 53.62 2b6e s LYS 97 Cb 0.00 -1.07 -0.04 0.00 -2.06 0.00 0.00 37.83 34.66 2b6e s LYS 97 CO 0.00 0.20 0.06 0.14 0.10 0.00 0.00 175.35 175.85 2b6e s VAL 98 N -2.43 4.22 -0.13 1.79 -7.23 -1.26 -3.78 120.40 111.58 2b6e s VAL 98 Ca 0.15 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2b6e s VAL 98 Cb -0.03 -3.08 0.01 0.00 0.56 0.00 0.00 36.38 33.83 2b6e s VAL 98 CO 0.05 0.01 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.76 2b6e s THR 99 N -1.54 1.89 -0.22 5.32 2.01 -0.49 -4.28 115.64 118.33 2b6e s THR 99 Ca 0.28 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2b6e s THR 99 Cb -0.11 -1.69 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2b6e s THR 99 CO 0.21 0.52 0.02 0.00 -0.69 0.00 0.00 174.62 174.67 2b6e s ALA 100 N 0.89 3.04 -0.22 7.40 0.00 -0.29 -1.09 121.76 131.50 2b6e s ALA 100 Ca -0.06 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2b6e s ALA 100 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2b6e s ALA 100 CO -0.02 -0.33 0.01 0.50 0.00 0.00 0.00 175.76 175.92 2b6e s ARG 101 N 1.32 3.59 -0.18 0.00 3.52 -0.32 -1.99 118.95 124.90 2b6e s ARG 101 Ca 0.04 -0.52 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 2b6e s ARG 101 Cb -0.15 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 2b6e s ARG 101 CO 0.01 -0.07 0.16 0.00 -0.81 0.00 0.00 175.30 174.60 2b6e s ALA 102 N 1.22 3.69 0.01 6.12 0.00 -0.55 -2.11 121.76 130.15 2b6e s ALA 102 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.37 2b6e s ALA 102 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 2b6e s ALA 102 CO 0.01 0.20 -0.07 0.95 0.00 0.00 0.00 175.76 176.85 2b6e s THR 103 N 0.23 0.49 0.44 0.00 -4.23 -0.07 -2.94 115.64 109.56 2b6e s THR 103 Ca 0.10 -0.49 -0.22 0.00 -1.18 0.00 0.00 61.69 59.90 2b6e s THR 103 Cb -0.11 -0.46 -0.09 0.00 1.34 0.00 0.00 72.50 73.18 2b6e s THR 103 CO -0.00 -0.01 1.06 -2.16 -0.54 0.00 0.00 174.62 172.96 2b6e s PRO 104 N -0.54 3.98 -0.17 3.99 0.04 -1.26 -0.61 135.00 140.43 2b6e s PRO 104 Ca -0.01 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 2b6e s PRO 104 Cb -0.04 -2.35 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 2b6e s PRO 104 CO -0.00 -0.29 -0.18 -0.89 0.04 0.00 0.00 177.00 175.68 2b6e n ILE 105 N -0.46 0.96 -3.64 0.56 5.41 0.13 -4.81 119.36 117.51 2b6e n ILE 105 Ca 0.07 -0.32 -0.06 0.00 1.00 0.00 0.00 62.75 63.44 2b6e n ILE 105 Cb 0.51 -1.34 -0.07 0.00 -0.71 0.00 0.00 39.64 38.03 2b6e n ILE 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2b6e s ASN 106 N -5.99 -0.90 -0.31 4.38 3.84 -1.00 -4.99 114.94 109.97 2b6e s ASN 106 Ca -0.23 1.41 0.01 0.00 0.21 0.00 0.00 52.86 54.26 2b6e s ASN 106 Cb 0.07 1.46 0.08 0.00 -0.55 0.00 0.00 41.25 42.31 2b6e s ASN 106 CO 0.35 -0.22 0.01 -0.76 -2.79 0.00 0.00 177.10 173.69 2b6e s LEU 107 N 1.74 4.19 0.56 3.21 1.43 -1.26 -0.42 118.68 128.13 2b6e s LEU 107 Ca -0.09 -1.67 0.07 0.00 -1.03 0.00 0.00 54.13 51.40 2b6e s LEU 107 Cb -0.06 -1.65 0.05 0.00 0.03 0.00 0.00 46.19 44.57 2b6e s LEU 107 CO -0.19 -0.31 0.52 -0.83 0.23 0.00 0.00 176.35 175.77 2b6e s GLY 108 N 1.18 2.18 0.45 -3.19 0.00 -0.02 -5.02 107.32 102.91 2b6e s GLY 108 Ca 0.00 -1.52 0.25 0.00 0.00 0.00 0.00 44.72 43.46 2b6e s GLY 108 CO -0.05 -1.87 1.79 3.21 0.00 0.00 0.00 173.10 176.19 2b6e h ARG 109 N 0.57 0.00 0.00 2.90 3.08 -2.00 -3.36 114.38 115.57 2b6e h ARG 109 Ca -0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 2b6e h ARG 109 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 2b6e h ARG 109 CO 0.52 0.16 -1.10 0.09 -1.07 0.00 0.00 179.97 178.57 2b6e n ASN 110 N -3.25 4.64 -4.03 7.04 3.02 -1.26 -4.71 115.26 116.71 2b6e n ASN 110 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.38 2b6e n ASN 110 Cb 0.44 0.56 -0.14 0.00 -0.61 0.00 0.00 39.78 40.03 2b6e n ASN 110 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2b6e s ILE 111 N -2.04 0.69 0.01 2.41 -1.09 -1.26 -0.56 121.20 119.37 2b6e s ILE 111 Ca -0.01 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 2b6e s ILE 111 Cb 0.00 -0.60 -0.02 0.00 -1.58 0.00 0.00 42.46 40.26 2b6e s ILE 111 CO 0.06 0.12 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.59 2b6e s GLN 112 N -0.41 1.47 -0.12 2.79 -0.21 -0.28 -0.84 119.66 122.06 2b6e s GLN 112 Ca 0.02 -0.80 0.01 0.00 0.02 0.00 0.00 55.36 54.61 2b6e s GLN 112 Cb -0.04 -1.49 0.02 0.00 1.00 0.00 0.00 33.01 32.49 2b6e s GLN 112 CO -0.00 0.40 -0.14 0.08 -2.12 0.00 0.00 175.29 173.50 2b6e s VAL 113 N -0.62 1.47 0.11 1.09 1.01 0.45 -0.48 120.40 123.42 2b6e s VAL 113 Ca 0.07 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.55 2b6e s VAL 113 Cb -0.08 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2b6e s VAL 113 CO 0.00 0.44 -0.23 0.26 0.00 0.00 0.00 175.10 175.57 2b6e s TRP 114 N 1.22 2.41 -0.18 5.22 0.52 0.30 -0.69 118.94 127.74 2b6e s TRP 114 Ca -0.02 -0.33 -0.05 0.00 0.02 0.00 0.00 56.10 55.72 2b6e s TRP 114 Cb -0.14 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2b6e s TRP 114 CO -0.05 0.32 0.01 -1.14 0.02 0.00 0.00 176.95 176.11 2b6e s GLN 115 N -1.93 3.72 -0.17 4.98 0.74 0.22 -0.60 119.66 126.63 2b6e s GLN 115 Ca 0.15 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.09 2b6e s GLN 115 Cb -0.10 -3.07 0.04 0.00 1.10 0.00 0.00 33.01 30.97 2b6e s GLN 115 CO 0.07 0.13 -0.09 0.42 -0.55 0.00 0.00 175.29 175.27 2b6e s ILE 116 N 0.69 1.39 -0.14 -2.34 1.09 0.49 -0.89 121.20 121.49 2b6e s ILE 116 Ca 0.00 -0.75 -0.02 0.00 -1.10 0.00 0.00 60.65 58.78 2b6e s ILE 116 Cb -0.14 -1.47 -0.02 0.00 -1.06 0.00 0.00 42.46 39.77 2b6e s ILE 116 CO 0.02 0.22 -0.09 -1.81 -0.10 0.00 0.00 174.94 173.18 2b6e s ASP 117 N 1.52 4.32 -0.16 3.58 1.01 -0.90 -0.46 116.67 125.59 2b6e s ASP 117 Ca 0.01 -0.25 -0.04 0.00 0.71 0.00 0.00 52.55 52.99 2b6e s ASP 117 Cb -0.15 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.08 2b6e s ASP 117 CO -0.08 0.17 -0.04 -0.63 0.21 0.00 0.00 175.17 174.79 2b6e s ILE 118 N 0.36 3.79 0.24 0.77 1.01 0.55 -1.17 121.20 126.75 2b6e s ILE 118 Ca -0.08 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.28 2b6e s ILE 118 Cb -0.15 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.60 2b6e s ILE 118 CO 0.05 0.48 -0.18 0.00 0.00 0.00 0.00 174.94 175.29 2b6e s ARG 119 N 0.54 1.52 0.59 2.79 1.70 -0.25 -0.52 118.95 125.32 2b6e s ARG 119 Ca -0.03 -1.68 -0.02 0.00 -0.47 0.00 0.00 55.73 53.52 2b6e s ARG 119 Cb -0.14 -1.48 0.12 0.00 -0.57 0.00 0.00 34.95 32.88 2b6e s ARG 119 CO 0.03 0.27 0.81 0.25 -1.08 0.00 0.00 175.30 175.57 2b6e n THR 120 N -0.48 0.00 0.25 4.99 -2.24 0.75 -1.40 114.28 116.16 2b6e n THR 120 Ca -0.07 -1.12 0.10 0.00 -2.27 0.00 0.00 64.05 60.69 2b6e n THR 120 Cb 0.60 -1.12 0.67 0.00 -2.10 0.00 0.00 70.33 68.38 2b6e n THR 120 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2b6e h GLU 121 N 0.00 0.00 -0.56 -0.78 4.11 -1.90 0.08 114.58 115.53 2b6e h GLU 121 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 2b6e h GLU 121 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2b6e h GLU 121 CO 0.26 0.12 0.00 0.39 0.07 0.00 0.00 179.01 179.85 2b6e n GLU 122 N -4.00 1.99 -2.23 1.06 -0.58 -1.26 -4.86 120.64 110.76 2b6e n GLU 122 Ca -0.02 -1.02 -0.20 0.00 -0.42 0.00 0.00 57.16 55.49 2b6e n GLU 122 Cb 0.20 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.56 2b6e n GLU 122 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2b6e n ASN 123 N 0.24 -5.72 -4.72 1.62 4.13 0.01 -4.96 115.26 105.86 2b6e n ASN 123 Ca 0.09 0.11 -0.37 0.00 1.68 0.00 0.00 54.58 56.09 2b6e n ASN 123 Cb 0.40 -4.82 -0.07 0.00 -1.54 0.00 0.00 39.78 33.75 2b6e n ASN 123 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2b6e s LYS 124 N -4.76 4.29 -0.11 3.52 1.02 -1.25 -4.76 119.74 117.68 2b6e s LYS 124 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.92 2b6e s LYS 124 Cb 0.00 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2b6e s LYS 124 CO 0.00 0.21 1.62 -1.17 -0.92 0.00 0.00 175.35 175.08 2b6e s LEU 125 N 0.54 4.19 -0.01 3.17 2.96 -1.26 -0.18 118.68 128.10 2b6e s LEU 125 Ca 0.20 2.04 0.10 0.00 -0.22 0.00 0.00 54.13 56.24 2b6e s LEU 125 Cb -0.14 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.89 2b6e s LEU 125 CO 0.06 -1.00 0.28 0.00 -1.32 0.00 0.00 176.35 174.37 2b6e s VAL 128 N 0.83 1.74 0.03 0.00 -7.23 -0.92 -0.33 120.40 114.52 2b6e s VAL 128 Ca -0.04 -0.91 -0.08 0.00 -1.81 0.00 0.00 61.98 59.14 2b6e s VAL 128 Cb -0.05 -1.47 -0.00 0.00 0.56 0.00 0.00 36.38 35.42 2b6e s VAL 128 CO -0.07 0.49 0.15 -0.55 -0.31 0.00 0.00 175.10 174.81 2b6e s SER 129 N -0.24 0.09 -0.04 4.85 0.15 0.39 -0.78 113.70 118.12 2b6e s SER 129 Ca 0.01 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.27 2b6e s SER 129 Cb -0.11 0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2b6e s SER 129 CO 0.01 -0.52 -0.11 -0.60 1.20 0.00 0.00 173.24 173.22 2b6e s ARG 130 N -2.46 1.36 -0.07 5.44 3.52 -0.90 -0.38 118.95 125.46 2b6e s ARG 130 Ca -0.06 -0.38 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 2b6e s ARG 130 Cb -0.02 -1.19 -0.01 0.00 -1.56 0.00 0.00 34.95 32.17 2b6e s ARG 130 CO -0.04 0.09 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.16 2b6e s LEU 131 N 0.39 2.26 -0.19 -0.88 2.96 0.23 -2.28 118.68 121.16 2b6e s LEU 131 Ca -0.08 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2b6e s LEU 131 Cb -0.12 -1.44 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 2b6e s LEU 131 CO 0.02 0.23 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.37 2b6e s THR 132 N -0.07 3.77 0.16 3.68 2.01 -0.19 -0.54 115.64 124.45 2b6e s THR 132 Ca -0.05 -0.38 0.11 0.00 0.31 0.00 0.00 61.69 61.68 2b6e s THR 132 Cb -0.14 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2b6e s THR 132 CO 0.04 0.44 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.40 2b6e s LEU 133 N 0.98 2.40 -0.12 4.42 1.43 0.37 -0.88 118.68 127.28 2b6e s LEU 133 Ca 0.01 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 2b6e s LEU 133 Cb -0.14 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 2b6e s LEU 133 CO 0.01 0.15 0.03 -0.55 0.23 0.00 0.00 176.35 176.22 2b6e s SER 134 N -2.32 5.40 -0.18 2.29 0.15 0.01 -1.13 113.70 117.91 2b6e s SER 134 Ca 0.17 0.13 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 2b6e s SER 134 Cb -0.09 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2b6e s SER 134 CO 0.08 0.30 0.47 -0.69 1.20 0.00 0.00 173.24 174.60 2b6e s VAL 135 N -0.42 5.16 -0.02 4.45 1.01 0.28 -1.54 120.40 129.31 2b6e s VAL 135 Ca 0.08 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.98 2b6e s VAL 135 Cb -0.12 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2b6e s VAL 135 CO 0.02 0.24 -0.15 0.27 0.00 0.00 0.00 175.10 175.47 2b6e s ILE 136 N 1.28 1.24 -1.12 2.22 -4.36 -0.79 -4.83 121.20 114.84 2b6e s ILE 136 Ca 0.23 -0.64 -0.06 0.00 -0.26 0.00 0.00 60.65 59.92 2b6e s ILE 136 Cb -0.15 -1.05 0.28 0.00 1.25 0.00 0.00 42.46 42.78 2b6e s ILE 136 CO 0.09 0.36 1.50 -0.46 0.24 0.00 0.00 174.94 176.67 2b6e n ASN 137 N 2.93 6.07 0.00 4.36 2.04 -1.26 -1.14 115.26 128.26 2b6e n ASN 137 Ca -0.16 -3.31 0.00 0.00 -0.44 0.00 0.00 54.58 50.67 2b6e n ASN 137 Cb 0.54 -1.33 0.00 0.00 -2.53 0.00 0.00 39.78 36.46 2b6e n ASN 137 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71