#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b6e n TRP 3 N 0.00 2.39 -0.01 -1.77 5.03 -1.26 -4.65 117.44 117.17 2b6e n TRP 3 Ca 0.00 0.26 0.07 0.00 3.03 0.00 0.00 57.50 60.85 2b6e n TRP 3 Cb 0.00 -2.56 -0.12 0.00 -1.03 0.00 0.00 31.31 27.60 2b6e n TRP 3 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 2b6e n LYS 4 N 3.15 0.58 -4.07 -0.99 4.76 -0.15 -4.97 118.16 116.47 2b6e n LYS 4 Ca 0.15 -0.13 -0.27 0.00 -2.87 0.00 0.00 58.31 55.19 2b6e n LYS 4 Cb 0.31 -1.38 -0.06 0.00 -1.84 0.00 0.00 35.03 32.07 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 -3.04 2.92 -0.09 1.97 1.02 -1.10 -4.79 119.74 116.63 2b6e s LYS 5 Ca -0.06 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 54.98 2b6e s LYS 5 Cb 0.10 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 2b6e s LYS 5 CO 0.66 0.50 0.28 -0.08 -0.92 0.00 0.00 175.35 175.78 2b6e s THR 6 N -1.69 5.28 0.09 2.17 -1.32 -1.26 -5.02 115.64 113.88 2b6e s THR 6 Ca 0.31 0.53 -0.27 0.00 -1.21 0.00 0.00 61.69 61.05 2b6e s THR 6 Cb -0.10 -3.57 0.08 0.00 -1.51 0.00 0.00 72.50 67.39 2b6e s THR 6 CO 0.23 0.55 0.94 0.72 -2.21 0.00 0.00 174.62 174.85 2b6e s PHE 7 N -0.67 -0.21 0.26 9.09 -0.12 -1.26 -5.13 117.98 119.95 2b6e s PHE 7 Ca 0.18 -0.03 0.07 0.00 -0.05 0.00 0.00 56.93 57.11 2b6e s PHE 7 Cb -0.14 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 2b6e s PHE 7 CO 0.07 -0.70 -0.08 0.95 -0.05 0.00 0.00 175.22 175.41 2b6e s THR 8 N -3.19 1.68 0.40 -4.49 -4.23 -1.26 -5.03 115.64 99.51 2b6e s THR 8 Ca 0.10 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.53 2b6e s THR 8 Cb -0.01 -2.34 0.22 0.00 1.34 0.00 0.00 72.50 71.71 2b6e s THR 8 CO -0.02 -0.38 2.00 -0.07 -0.54 0.00 0.00 174.62 175.60 2b6e h LEU 9 N 2.35 0.41 -0.82 4.79 3.38 -2.00 -2.04 115.31 121.39 2b6e h LEU 9 Ca -0.39 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2b6e h LEU 9 Cb 1.23 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2b6e h LEU 9 CO 0.66 0.38 0.43 -0.08 0.09 0.00 0.00 178.44 179.92 2b6e h GLU 10 N 0.45 1.15 -0.26 1.13 4.81 -1.96 -1.08 114.58 118.82 2b6e h GLU 10 Ca 0.11 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2b6e h GLU 10 Cb 0.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2b6e h GLU 10 CO -0.01 0.86 0.14 -0.91 -0.73 0.00 0.00 179.01 178.36 2b6e h ASN 11 N 1.14 0.34 -0.69 1.04 -0.26 -1.78 -1.40 115.58 113.97 2b6e h ASN 11 Ca 0.29 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 2b6e h ASN 11 Cb 0.06 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 37.20 2b6e h ASN 11 CO -0.04 0.35 0.37 -0.07 -1.06 0.00 0.00 177.43 176.97 2b6e h LEU 12 N 0.30 0.86 -1.07 1.61 3.38 -1.12 0.36 115.31 119.64 2b6e h LEU 12 Ca 0.09 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2b6e h LEU 12 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2b6e h LEU 12 CO -0.01 0.72 -0.44 0.78 0.09 0.00 0.00 178.44 179.58 2b6e h ASN 13 N 0.94 0.05 -0.39 -0.43 2.35 -1.08 -2.09 115.58 114.93 2b6e h ASN 13 Ca 0.24 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.86 2b6e h ASN 13 Cb 0.06 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2b6e h ASN 13 CO -0.04 0.49 -0.20 -0.61 -1.65 0.00 0.00 177.43 175.42 2b6e h GLN 14 N 0.04 0.82 -0.88 0.81 5.75 -0.64 -2.34 115.11 118.67 2b6e h GLN 14 Ca -0.00 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.15 2b6e h GLN 14 Cb 0.80 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.28 2b6e h GLN 14 CO 0.06 0.99 0.58 1.25 -2.65 0.00 0.00 178.83 179.06 2b6e h LEU 15 N 0.63 1.00 -0.33 -2.39 5.85 -0.57 -2.49 115.31 117.02 2b6e h LEU 15 Ca 0.09 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2b6e h LEU 15 Cb 0.75 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2b6e h LEU 15 CO 0.06 0.72 -0.11 0.00 -0.34 0.00 0.00 178.44 178.77 2b6e s SER 17 N -2.40 3.26 -1.44 0.00 1.04 -0.89 -3.68 113.70 109.59 2b6e s SER 17 Ca 0.30 2.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 2b6e s SER 17 Cb 0.20 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.77 2b6e s SER 17 CO 0.46 -2.88 0.39 -3.20 0.98 0.00 0.00 173.24 168.99 2b6e n ASN 18 N -4.04 -0.34 -1.62 7.02 5.15 -1.26 -4.91 115.26 115.26 2b6e n ASN 18 Ca 0.11 -1.04 -0.05 0.00 -0.60 0.00 0.00 54.58 53.01 2b6e n ASN 18 Cb 0.52 -2.88 -0.01 0.00 -0.53 0.00 0.00 39.78 36.88 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 -2.96 -0.42 0.24 1.20 3.41 -1.24 -5.02 113.62 108.82 2b6e n SER 19 Ca -0.29 -1.58 0.06 0.00 -0.26 0.00 0.00 58.87 56.80 2b6e n SER 19 Cb 0.68 0.78 0.56 0.00 -0.26 0.00 0.00 64.21 65.97 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 1.62 1.78 0.33 7.33 0.00 -1.92 -1.30 119.26 127.09 2b6e h ALA 20 Ca -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2b6e h ALA 20 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2b6e h ALA 20 CO 0.11 0.15 -0.16 0.28 0.00 0.00 0.00 179.25 179.64 2b6e h VAL 21 N 0.00 0.69 0.00 0.00 2.07 -1.95 -1.33 116.25 115.73 2b6e h VAL 21 Ca -0.00 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 2b6e h VAL 21 Cb 0.22 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2b6e h VAL 21 CO 0.02 0.06 -0.49 0.77 0.02 0.00 0.00 177.57 177.95 2b6e h SER 22 N -0.60 0.00 -0.18 0.57 4.64 -1.60 -1.47 113.55 114.91 2b6e h SER 22 Ca -0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 2b6e h SER 22 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2b6e h SER 22 CO 0.07 0.49 0.01 -0.74 -0.87 0.00 0.00 176.83 175.80 2b6e h HIS 23 N 0.00 0.43 -0.13 4.77 2.76 -1.01 -0.43 115.15 121.53 2b6e h HIS 23 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2b6e h HIS 23 Cb 0.88 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2b6e h HIS 23 CO 0.00 0.42 0.00 1.28 -1.30 0.00 0.00 177.93 178.33 2b6e n LEU 24 N -4.33 1.29 -0.60 0.26 4.77 -0.52 -4.91 117.00 112.95 2b6e n LEU 24 Ca 0.01 -0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 55.37 2b6e n LEU 24 Cb 0.21 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2b6e n LEU 24 CO 0.38 0.27 -0.07 0.61 -1.33 0.00 0.00 177.39 177.24 2b6e n GLY 25 N 1.04 0.97 3.74 -0.72 0.00 -0.17 -4.51 105.19 105.55 2b6e n GLY 25 Ca 0.15 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.22 3.70 -0.06 -0.61 1.01 -0.57 -4.37 121.20 118.07 2b6e s ILE 26 Ca 0.00 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.19 2b6e s ILE 26 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2b6e s ILE 26 CO 0.00 0.30 -0.06 -0.70 0.00 0.00 0.00 174.94 174.48 2b6e s GLU 27 N -0.70 1.06 -0.25 2.79 2.12 -0.55 -4.50 118.70 118.66 2b6e s GLU 27 Ca 0.48 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 55.36 2b6e s GLU 27 Cb -0.31 -1.05 -0.01 0.00 0.26 0.00 0.00 34.13 33.02 2b6e s GLU 27 CO 0.37 -0.10 1.42 0.42 -0.54 0.00 0.00 175.26 176.83 2b6e s ILE 28 N 1.07 3.97 -0.07 -3.70 -1.09 -1.26 -0.55 121.20 119.56 2b6e s ILE 28 Ca -0.08 1.11 0.18 0.00 -2.23 0.00 0.00 60.65 59.63 2b6e s ILE 28 Cb -0.14 -3.96 -0.28 0.00 -1.58 0.00 0.00 42.46 36.50 2b6e s ILE 28 CO -0.01 -0.37 0.32 -1.54 -1.23 0.00 0.00 174.94 172.11 2b6e n SER 29 N 7.83 0.60 -3.59 3.58 3.41 -0.47 -4.88 113.62 120.10 2b6e n SER 29 Ca 0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.73 2b6e n SER 29 Cb 0.46 1.60 -0.02 0.00 -0.26 0.00 0.00 64.21 65.99 2b6e n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b6e s ALA 30 N -3.07 -2.05 0.10 7.33 0.00 -1.19 -5.00 121.76 117.88 2b6e s ALA 30 Ca -0.08 1.40 -0.18 0.00 0.00 0.00 0.00 51.96 53.10 2b6e s ALA 30 Cb 0.10 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.28 2b6e s ALA 30 CO 0.78 -0.67 0.45 -0.59 0.00 0.00 0.00 175.76 175.73 2b6e s PHE 31 N -2.53 -0.29 0.00 0.00 -0.71 -1.26 -0.15 117.98 113.04 2b6e s PHE 31 Ca 0.09 0.10 0.00 0.00 -1.04 0.00 0.00 56.93 56.08 2b6e s PHE 31 Cb -0.00 0.30 0.00 0.00 -1.21 0.00 0.00 43.02 42.11 2b6e s PHE 31 CO -0.05 -0.69 0.00 0.41 -1.34 0.00 0.00 175.22 173.56 2b6e n GLY 32 N -0.01 5.52 0.19 1.99 0.00 0.12 -4.98 105.19 108.03 2b6e n GLY 32 Ca -0.17 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.15 0.00 1.61 5.08 -2.04 -3.33 114.58 116.06 2b6e h GLU 33 Ca 0.00 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2b6e h GLU 33 Cb 0.00 -0.01 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 2b6e h GLU 33 CO 0.00 0.52 -0.92 -0.40 -1.00 0.00 0.00 179.01 177.21 2b6e n ASP 34 N -4.06 1.11 -3.47 1.42 5.68 -1.26 -1.72 116.55 114.25 2b6e n ASP 34 Ca -0.01 -2.35 -0.15 0.00 -0.50 0.00 0.00 54.79 51.78 2b6e n ASP 34 Cb 0.44 -0.34 -0.04 0.00 -1.14 0.00 0.00 41.12 40.05 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 -0.59 -0.59 -0.03 2.11 1.48 -1.25 -4.47 118.94 115.60 2b6e s TRP 35 Ca 0.34 0.68 -0.09 0.00 -1.06 0.00 0.00 56.10 55.97 2b6e s TRP 35 Cb 0.37 0.49 0.01 0.00 -1.16 0.00 0.00 33.47 33.19 2b6e s TRP 35 CO -0.15 -0.74 0.20 -1.50 -4.06 0.00 0.00 176.95 170.70 2b6e s ILE 36 N -2.61 0.05 0.17 0.66 2.07 -1.08 0.12 121.20 120.58 2b6e s ILE 36 Ca -0.04 -0.43 0.07 0.00 -1.41 0.00 0.00 60.65 58.85 2b6e s ILE 36 Cb -0.01 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2b6e s ILE 36 CO -0.03 -0.23 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.01 2b6e s GLU 37 N -0.89 1.23 0.01 3.50 2.02 0.79 -0.91 118.70 124.45 2b6e s GLU 37 Ca -0.10 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2b6e s GLU 37 Cb -0.05 -1.09 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2b6e s GLU 37 CO 0.02 0.19 -0.02 0.00 0.02 0.00 0.00 175.26 175.47 2b6e s ALA 38 N -2.61 0.14 0.00 5.21 0.00 -0.59 -1.37 121.76 122.54 2b6e s ALA 38 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2b6e s ALA 38 Cb -0.03 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2b6e s ALA 38 CO 0.05 -0.04 0.00 0.25 0.00 0.00 0.00 175.76 176.02 2b6e n THR 39 N 2.43 0.00 -4.36 0.00 -2.24 0.28 -0.79 114.28 109.59 2b6e n THR 39 Ca -0.17 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 2b6e n THR 39 Cb 0.58 -0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.14 1.98 -0.57 -0.78 0.04 -1.26 -1.49 135.00 131.78 2b6e s PRO 41 Ca 0.00 -1.52 -0.05 0.00 0.04 0.00 0.00 61.00 59.47 2b6e s PRO 41 Cb 0.00 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.69 2b6e s PRO 41 CO 0.00 0.37 0.41 0.08 0.04 0.00 0.00 177.00 177.90 2b6e s VAL 42 N -2.21 3.92 0.00 -0.36 1.01 0.96 -4.67 120.40 119.04 2b6e s VAL 42 Ca 0.29 -2.49 0.00 0.00 0.00 0.00 0.00 61.98 59.78 2b6e s VAL 42 Cb -0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2b6e s VAL 42 CO 0.16 -0.83 0.00 -0.90 0.00 0.00 0.00 175.10 173.53 2b6e n ASP 43 N 4.05 0.00 0.30 3.32 5.68 -1.26 -4.37 116.55 124.27 2b6e n ASP 43 Ca 0.03 -0.77 0.19 0.00 -0.50 0.00 0.00 54.79 53.74 2b6e n ASP 43 Cb 0.40 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 41.39 2b6e n ASP 43 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2b6e h HIS 44 N 0.77 0.00 0.00 2.11 2.07 -1.98 -0.06 115.15 118.06 2b6e h HIS 44 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 2b6e h HIS 44 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 2b6e h HIS 44 CO 0.00 0.00 -0.47 0.00 -3.07 0.00 0.00 177.93 174.39 2b6e h ARG 45 N 0.00 0.00 -1.88 5.12 3.08 -1.95 -3.48 114.38 115.26 2b6e h ARG 45 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2b6e h ARG 45 Cb 0.14 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.78 2b6e h ARG 45 CO 0.00 0.47 -0.82 0.25 -1.07 0.00 0.00 179.97 178.80 2b6e n THR 46 N -3.28 2.13 -4.34 2.04 -2.24 -0.04 -4.97 114.28 103.58 2b6e n THR 46 Ca 0.01 -4.97 -0.25 0.00 -2.27 0.00 0.00 64.05 56.58 2b6e n THR 46 Cb 0.68 -0.96 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 2b6e n THR 46 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2b6e s GLN 48 N -3.29 2.08 0.27 -0.78 -0.21 0.77 -0.73 119.66 117.77 2b6e s GLN 48 Ca 0.45 -1.76 0.14 0.00 0.02 0.00 0.00 55.36 54.21 2b6e s GLN 48 Cb 0.35 -1.92 0.78 0.00 1.00 0.00 0.00 33.01 33.21 2b6e s GLN 48 CO -0.13 0.12 1.38 -0.35 -2.12 0.00 0.00 175.29 174.19 2b6e n PRO 49 N -0.97 0.09 -0.82 2.91 -0.04 -1.26 -2.25 135.00 132.67 2b6e n PRO 49 Ca -0.04 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 64.06 2b6e n PRO 49 Cb 0.63 -1.95 0.39 0.00 -0.04 0.00 0.00 33.50 32.53 2b6e n PRO 49 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2b6e n PHE 50 N -2.02 1.91 -0.43 0.54 -1.74 -1.26 -4.96 117.46 109.49 2b6e n PHE 50 Ca -0.01 -0.71 0.00 0.00 -0.56 0.00 0.00 57.45 56.17 2b6e n PHE 50 Cb 0.16 -0.44 0.00 0.00 1.52 0.00 0.00 39.48 40.72 2b6e n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2b6e n GLY 51 N 0.71 0.75 3.43 4.97 0.00 -0.95 -5.07 105.19 109.02 2b6e n GLY 51 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.43 2.26 0.20 1.61 -7.23 -1.26 -4.60 120.40 108.95 2b6e s VAL 52 Ca 0.00 -2.35 -0.32 0.00 -1.81 0.00 0.00 61.98 57.50 2b6e s VAL 52 Cb 0.00 -2.22 -0.14 0.00 0.56 0.00 0.00 36.38 34.58 2b6e s VAL 52 CO 0.00 -0.45 1.41 -0.11 -0.31 0.00 0.00 175.10 175.64 2b6e n LEU 53 N -0.54 2.82 -4.65 1.32 7.94 0.84 -0.17 117.00 124.57 2b6e n LEU 53 Ca -0.06 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.54 2b6e n LEU 53 Cb 0.60 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.14 2b6e n LEU 53 CO 0.37 -0.58 1.12 -2.28 -1.11 0.00 0.00 177.39 174.91 2b6e s HIS 54 N 0.18 2.74 0.36 1.96 5.65 0.10 -4.58 115.29 121.71 2b6e s HIS 54 Ca 0.72 0.93 0.10 0.00 0.25 0.00 0.00 55.06 57.06 2b6e s HIS 54 Cb -0.70 -3.70 0.86 0.00 -1.18 0.00 0.00 32.58 27.86 2b6e s HIS 54 CO 0.47 -1.76 1.87 0.78 -0.65 0.00 0.00 174.74 175.45 2b6e h GLY 55 N 10.32 1.16 1.04 1.59 0.00 -1.90 -1.02 103.07 114.26 2b6e h GLY 55 Ca -0.27 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 2b6e h GLY 55 CO 1.00 0.07 0.16 -1.33 0.00 0.00 0.00 176.54 176.44 2b6e h GLY 56 N 0.65 1.13 1.87 4.60 0.00 -1.96 -2.28 103.07 107.07 2b6e h GLY 56 Ca 0.45 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2b6e h GLY 56 CO -0.20 0.66 -0.26 -2.08 0.00 0.00 0.00 176.54 174.66 2b6e h VAL 57 N 0.97 1.22 -0.68 4.60 2.07 -1.55 -1.21 116.25 121.67 2b6e h VAL 57 Ca 0.21 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 2b6e h VAL 57 Cb 0.36 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2b6e h VAL 57 CO 0.00 0.31 0.24 0.28 0.02 0.00 0.00 177.57 178.42 2b6e h SER 58 N 0.14 0.95 -0.31 0.57 0.02 -0.80 -1.03 113.55 113.10 2b6e h SER 58 Ca 0.02 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 2b6e h SER 58 Cb 0.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2b6e h SER 58 CO 0.04 0.88 -0.16 0.58 -1.14 0.00 0.00 176.83 177.03 2b6e h VAL 59 N 1.00 1.26 -0.45 2.27 2.07 -0.88 -0.93 116.25 120.59 2b6e h VAL 59 Ca 0.23 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.54 2b6e h VAL 59 Cb 0.25 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2b6e h VAL 59 CO -0.01 0.42 0.25 0.00 0.02 0.00 0.00 177.57 178.24 2b6e h ALA 60 N 1.15 0.56 -0.59 1.67 0.00 -0.20 0.75 119.26 122.60 2b6e h ALA 60 Ca 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2b6e h ALA 60 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2b6e h ALA 60 CO 0.05 -0.08 0.31 1.25 0.00 0.00 0.00 179.25 180.78 2b6e h LEU 61 N 0.51 0.76 -0.18 0.00 5.85 -0.95 -1.21 115.31 120.08 2b6e h LEU 61 Ca 0.18 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2b6e h LEU 61 Cb 0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2b6e h LEU 61 CO -0.10 0.65 0.11 0.00 -0.34 0.00 0.00 178.44 178.77 2b6e h ALA 62 N 1.14 0.23 -0.41 1.25 0.00 -0.46 -1.66 119.26 119.35 2b6e h ALA 62 Ca 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2b6e h ALA 62 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2b6e h ALA 62 CO -0.03 -0.30 -0.03 1.49 0.00 0.00 0.00 179.25 180.38 2b6e h GLU 63 N 0.24 0.67 0.67 0.00 4.81 -0.73 -1.23 114.58 119.00 2b6e h GLU 63 Ca 0.07 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2b6e h GLU 63 Cb -0.02 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.29 2b6e h GLU 63 CO -0.02 0.71 -0.32 1.15 -0.73 0.00 0.00 179.01 179.80 2b6e h THR 64 N 0.63 0.34 -0.17 0.32 2.02 -0.80 -0.66 112.91 114.60 2b6e h THR 64 Ca 0.12 -0.01 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 2b6e h THR 64 Cb 0.44 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2b6e h THR 64 CO 0.02 0.00 -0.40 -0.29 0.37 0.00 0.00 175.52 175.22 2b6e h ILE 65 N -0.91 1.31 -0.35 3.11 6.09 -1.28 -1.73 117.51 123.75 2b6e h ILE 65 Ca -0.09 -1.54 -0.15 0.00 -1.37 0.00 0.00 64.86 61.71 2b6e h ILE 65 Cb 0.69 1.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.59 2b6e h ILE 65 CO 0.15 0.47 -0.35 1.23 -3.07 0.00 0.00 178.15 176.58 2b6e h GLY 66 N 1.15 0.94 1.25 8.18 0.00 -1.21 -1.45 103.07 111.93 2b6e h GLY 66 Ca 0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 47.33 46.26 2b6e h GLY 66 CO 0.07 0.87 -0.28 1.76 0.00 0.00 0.00 176.54 178.96 2b6e h SER 67 N 0.66 0.87 -0.21 0.19 0.02 -1.04 -1.76 113.55 112.28 2b6e h SER 67 Ca 0.06 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2b6e h SER 67 Cb 0.94 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2b6e h SER 67 CO 0.09 1.10 0.05 0.25 -1.14 0.00 0.00 176.83 177.17 2b6e h LEU 68 N 0.72 0.32 -0.79 5.07 5.85 -1.27 -2.38 115.31 122.83 2b6e h LEU 68 Ca 0.08 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2b6e h LEU 68 Cb 0.83 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 2b6e h LEU 68 CO 0.07 0.47 0.48 0.00 -0.34 0.00 0.00 178.44 179.12 2b6e h ALA 69 N 0.86 1.08 -0.49 1.25 0.00 -1.16 -2.17 119.26 118.64 2b6e h ALA 69 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2b6e h ALA 69 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2b6e h ALA 69 CO 0.00 0.20 0.24 0.78 0.00 0.00 0.00 179.25 180.46 2b6e h GLY 70 N 0.87 0.75 1.83 0.00 0.00 -1.13 -2.63 103.07 102.76 2b6e h GLY 70 Ca 0.35 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 2b6e h GLY 70 CO -0.18 0.35 -0.22 1.48 0.00 0.00 0.00 176.54 177.98 2b6e h SER 71 N 0.64 0.20 0.89 0.19 4.64 -1.05 -2.32 113.55 116.73 2b6e h SER 71 Ca 0.17 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2b6e h SER 71 Cb 0.11 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2b6e h SER 71 CO -0.02 0.43 0.00 0.18 -0.87 0.00 0.00 176.83 176.55 2b6e n LEU 72 N -4.21 0.44 -0.95 5.97 4.77 -0.85 -2.45 117.00 119.72 2b6e n LEU 72 Ca -0.01 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 2b6e n LEU 72 Cb 0.33 -0.49 0.26 0.00 -2.33 0.00 0.00 43.42 41.19 2b6e n LEU 72 CO 0.39 -0.31 0.72 0.00 -1.33 0.00 0.00 177.39 176.85 2b6e s LEU 74 N -1.19 2.92 0.86 0.00 1.43 -1.03 -4.50 118.68 117.17 2b6e s LEU 74 Ca 0.36 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2b6e s LEU 74 Cb 0.19 -1.64 0.11 0.00 0.03 0.00 0.00 46.19 44.88 2b6e s LEU 74 CO 0.26 0.13 1.11 -1.61 0.23 0.00 0.00 176.35 176.46 2b6e s GLU 75 N -2.63 1.52 0.57 1.70 2.02 -1.26 -4.08 118.70 116.53 2b6e s GLU 75 Ca 0.23 1.23 -0.20 0.00 0.02 0.00 0.00 54.97 56.25 2b6e s GLU 75 Cb -0.09 -1.81 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 2b6e s GLU 75 CO 0.14 -2.18 1.19 0.39 0.02 0.00 0.00 175.26 174.82 2b6e n GLU 76 N -3.89 1.31 -0.18 1.61 -0.58 -1.26 -2.20 120.64 115.44 2b6e n GLU 76 Ca 0.09 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 2b6e n GLU 76 Cb 0.53 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 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 1.00 1.12 3.19 0.62 0.00 -1.26 -5.04 105.19 104.82 2b6e n GLY 77 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.54 1.15 0.07 1.61 1.02 -0.94 -4.54 119.74 117.57 2b6e s LYS 78 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.17 2b6e s LYS 78 Cb 0.00 -1.20 -0.00 0.00 -0.52 0.00 0.00 37.83 36.10 2b6e s LYS 78 CO 0.00 0.30 0.08 -2.37 -0.92 0.00 0.00 175.35 172.44 2b6e n THR 79 N 1.91 0.00 -4.40 2.17 5.66 -0.21 -4.74 114.28 114.66 2b6e n THR 79 Ca -0.17 -0.43 -0.21 0.00 -3.05 0.00 0.00 64.05 60.19 2b6e n THR 79 Cb 0.54 0.24 -0.10 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.38 1.85 -0.04 1.08 -7.23 -1.26 -0.83 120.40 111.58 2b6e s VAL 80 Ca 0.07 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2b6e s VAL 80 Cb 0.00 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2b6e s VAL 80 CO 0.05 -0.44 -0.05 -0.69 -0.31 0.00 0.00 175.10 173.66 2b6e s VAL 81 N -2.89 0.58 0.05 1.32 1.01 -0.60 -4.93 120.40 114.93 2b6e s VAL 81 Ca 0.27 -0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 2b6e s VAL 81 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 36.38 35.73 2b6e s VAL 81 CO 0.10 0.23 1.36 -0.83 0.00 0.00 0.00 175.10 175.97 2b6e s GLY 82 N 0.83 1.98 -0.25 4.51 0.00 -1.26 -1.26 107.32 111.88 2b6e s GLY 82 Ca -0.12 0.95 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2b6e s GLY 82 CO 0.01 2.38 -0.12 1.04 0.00 0.00 0.00 173.10 176.41 2b6e n LEU 83 N 4.67 1.91 -3.58 0.66 4.32 0.24 -4.92 117.00 120.29 2b6e n LEU 83 Ca 0.12 0.38 -0.10 0.00 -0.02 0.00 0.00 56.01 56.39 2b6e n LEU 83 Cb 0.44 -0.88 -0.02 0.00 -1.62 0.00 0.00 43.42 41.34 2b6e n LEU 83 CO 0.58 0.41 0.41 1.51 -1.22 0.00 0.00 177.39 179.08 2b6e s ASP 84 N -7.16 -0.45 -0.04 -1.43 1.47 -1.15 -5.02 116.67 102.89 2b6e s ASP 84 Ca -0.34 -0.23 -0.24 0.00 1.18 0.00 0.00 52.55 52.92 2b6e s ASP 84 Cb 0.11 0.64 0.05 0.00 -0.34 0.00 0.00 42.92 43.38 2b6e s ASP 84 CO 0.52 -1.09 0.53 -0.51 0.68 0.00 0.00 175.17 175.30 2b6e s ILE 85 N -3.81 0.02 0.12 2.11 2.07 -1.26 -1.27 121.20 119.18 2b6e s ILE 85 Ca 0.05 -0.19 -0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2b6e s ILE 85 Cb -0.03 -0.83 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 2b6e s ILE 85 CO -0.06 -0.10 0.02 0.54 -1.91 0.00 0.00 174.94 173.42 2b6e s ASN 86 N -1.16 0.59 -0.12 4.50 2.20 -0.74 -5.01 114.94 115.21 2b6e s ASN 86 Ca -0.11 -1.14 -0.30 0.00 -0.94 0.00 0.00 52.86 50.37 2b6e s ASN 86 Cb -0.02 0.22 0.10 0.00 -2.00 0.00 0.00 41.25 39.55 2b6e s ASN 86 CO 0.07 -0.65 0.85 0.00 -2.94 0.00 0.00 177.10 174.43 2b6e s ALA 87 N -3.91 -1.86 -0.11 3.54 0.00 -1.26 -2.12 121.76 116.04 2b6e s ALA 87 Ca 0.19 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.65 2b6e s ALA 87 Cb 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2b6e s ALA 87 CO -0.01 -0.34 -0.19 -0.80 0.00 0.00 0.00 175.76 174.42 2b6e s ASN 88 N -1.08 3.49 -0.27 0.00 -0.87 -0.44 -4.99 114.94 110.78 2b6e s ASN 88 Ca -0.06 -0.46 -0.17 0.00 -1.57 0.00 0.00 52.86 50.60 2b6e s ASN 88 Cb -0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.25 39.70 2b6e s ASN 88 CO 0.05 0.16 0.47 -1.00 -2.57 0.00 0.00 177.10 174.21 2b6e s HIS 89 N 0.35 3.26 -0.13 2.20 3.76 -1.26 -2.24 115.29 121.23 2b6e s HIS 89 Ca -0.15 0.54 0.18 0.00 -0.15 0.00 0.00 55.06 55.48 2b6e s HIS 89 Cb -0.17 -2.68 -0.23 0.00 1.11 0.00 0.00 32.58 30.61 2b6e s HIS 89 CO 0.07 -0.28 0.46 1.28 -0.85 0.00 0.00 174.74 175.43 2b6e n LEU 90 N 5.48 0.36 -3.55 0.89 4.77 0.14 -4.99 117.00 120.10 2b6e n LEU 90 Ca -0.05 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2b6e n LEU 90 Cb 0.50 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 2b6e n LEU 90 CO 0.39 0.26 0.72 0.00 -1.33 0.00 0.00 177.39 177.44 2b6e s ARG 91 N -2.86 0.70 0.51 3.23 1.70 -1.23 -5.02 118.95 115.99 2b6e s ARG 91 Ca -0.07 0.02 -0.20 0.00 -0.47 0.00 0.00 55.73 55.02 2b6e s ARG 91 Cb 0.09 0.33 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 2b6e s ARG 91 CO 0.84 -0.25 1.08 -1.25 -1.08 0.00 0.00 175.30 174.64 2b6e s PRO 92 N -1.72 3.59 -0.08 3.89 0.04 -1.26 -4.84 135.00 134.62 2b6e s PRO 92 Ca -0.01 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.52 2b6e s PRO 92 Cb -0.01 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2b6e s PRO 92 CO -0.01 -0.63 -0.08 0.08 0.04 0.00 0.00 177.00 176.41 2b6e s VAL 93 N -1.88 0.93 -0.52 -0.36 1.01 -1.26 -5.00 120.40 113.31 2b6e s VAL 93 Ca 0.70 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.43 2b6e s VAL 93 Cb -0.20 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2b6e s VAL 93 CO 0.23 0.33 0.62 -2.11 0.00 0.00 0.00 175.10 174.18 2b6e n ARG 94 N 4.45 -0.24 -3.48 2.72 0.00 -1.26 -0.11 116.66 118.74 2b6e n ARG 94 Ca -0.17 -0.73 -0.11 0.00 -0.00 0.00 0.00 57.85 56.83 2b6e n ARG 94 Cb 0.51 -1.07 -0.02 0.00 -0.00 0.00 0.00 32.46 31.87 2b6e n ARG 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2b6e s SER 95 N -0.38 -0.49 0.28 2.89 1.04 -1.26 -4.93 113.70 110.84 2b6e s SER 95 Ca 0.05 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2b6e s SER 95 Cb 0.04 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2b6e s SER 95 CO 0.06 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2b6e n GLY 96 N -0.36 0.44 3.25 7.32 0.00 -1.26 -4.82 105.19 109.76 2b6e n GLY 96 Ca -0.16 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 1.05 0.18 1.61 -2.85 -1.26 -0.03 119.74 118.43 2b6e s LYS 97 Ca 0.00 -1.29 0.06 0.00 -1.00 0.00 0.00 55.97 53.74 2b6e s LYS 97 Cb 0.00 -0.87 -0.04 0.00 -2.06 0.00 0.00 37.83 34.86 2b6e s LYS 97 CO 0.00 0.16 0.07 0.14 0.10 0.00 0.00 175.35 175.82 2b6e s VAL 98 N -2.38 4.10 -0.14 1.79 -7.23 -1.26 -3.42 120.40 111.86 2b6e s VAL 98 Ca 0.11 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2b6e s VAL 98 Cb -0.03 -3.09 0.01 0.00 0.56 0.00 0.00 36.38 33.83 2b6e s VAL 98 CO 0.03 -0.13 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.61 2b6e s THR 99 N -1.77 1.88 -0.20 5.32 2.01 -0.11 -4.29 115.64 118.46 2b6e s THR 99 Ca 0.29 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 2b6e s THR 99 Cb -0.09 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2b6e s THR 99 CO 0.21 0.51 0.04 0.00 -0.69 0.00 0.00 174.62 174.70 2b6e s ALA 100 N 1.00 3.22 -0.17 7.40 0.00 0.03 -1.05 121.76 132.18 2b6e s ALA 100 Ca -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 2b6e s ALA 100 Cb -0.15 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 2b6e s ALA 100 CO -0.04 -0.09 -0.08 0.50 0.00 0.00 0.00 175.76 176.05 2b6e s ARG 101 N 0.88 3.42 -0.19 0.00 3.52 -0.35 -1.53 118.95 124.69 2b6e s ARG 101 Ca 0.03 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 54.90 2b6e s ARG 101 Cb -0.14 -2.84 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 2b6e s ARG 101 CO 0.02 0.03 0.10 0.00 -0.81 0.00 0.00 175.30 174.65 2b6e s ALA 102 N 0.85 3.57 0.02 6.12 0.00 -0.09 -2.18 121.76 130.05 2b6e s ALA 102 Ca -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2b6e s ALA 102 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 2b6e s ALA 102 CO 0.01 0.17 -0.09 0.95 0.00 0.00 0.00 175.76 176.80 2b6e s THR 103 N 0.35 0.70 0.44 0.00 -4.23 -0.20 -2.65 115.64 110.04 2b6e s THR 103 Ca 0.06 -0.64 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 2b6e s THR 103 Cb -0.12 -0.64 -0.09 0.00 1.34 0.00 0.00 72.50 72.99 2b6e s THR 103 CO -0.01 0.01 1.03 -2.16 -0.54 0.00 0.00 174.62 172.95 2b6e s PRO 104 N -0.70 4.03 -0.20 3.99 0.04 -1.26 -0.80 135.00 140.10 2b6e s PRO 104 Ca -0.00 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 2b6e s PRO 104 Cb -0.06 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 2b6e s PRO 104 CO 0.00 -0.23 -0.21 -0.89 0.04 0.00 0.00 177.00 175.71 2b6e n ILE 105 N -0.50 1.12 -3.64 0.56 5.41 0.21 -4.80 119.36 117.72 2b6e n ILE 105 Ca 0.07 -0.36 -0.06 0.00 1.00 0.00 0.00 62.75 63.39 2b6e n ILE 105 Cb 0.51 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 37.93 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 -6.30 -0.93 -0.32 4.38 3.84 -1.05 -5.00 114.94 109.56 2b6e s ASN 106 Ca -0.27 1.47 0.00 0.00 0.21 0.00 0.00 52.86 54.27 2b6e s ASN 106 Cb 0.09 1.43 0.07 0.00 -0.55 0.00 0.00 41.25 42.29 2b6e s ASN 106 CO 0.41 -0.23 0.03 -0.76 -2.79 0.00 0.00 177.10 173.76 2b6e s LEU 107 N 1.69 4.27 0.00 3.21 1.43 -1.26 -0.62 118.68 127.39 2b6e s LEU 107 Ca -0.10 -1.63 0.06 0.00 -1.03 0.00 0.00 54.13 51.43 2b6e s LEU 107 Cb -0.05 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.54 2b6e s LEU 107 CO -0.20 -0.33 0.51 0.61 0.23 0.00 0.00 176.35 177.17 2b6e n GLY 108 N 4.51 2.31 0.13 -3.19 0.00 0.37 -5.01 105.19 104.30 2b6e n GLY 108 Ca -0.08 -2.23 -0.02 0.00 0.00 0.00 0.00 46.02 43.69 2b6e n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b6e h ARG 109 N 0.00 0.00 0.00 1.61 3.08 -2.01 -3.37 114.38 113.69 2b6e h ARG 109 Ca -0.24 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 2b6e h ARG 109 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2b6e h ARG 109 CO 0.36 0.63 -1.19 0.09 -1.07 0.00 0.00 179.97 178.80 2b6e n ASN 110 N -3.79 4.28 -4.11 7.04 3.02 -1.26 -4.75 115.26 115.69 2b6e n ASN 110 Ca -0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 2b6e n ASN 110 Cb 0.63 0.72 -0.14 0.00 -0.61 0.00 0.00 39.78 40.38 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 -2.11 1.02 0.03 2.41 -1.09 -1.26 -0.39 121.20 119.81 2b6e s ILE 111 Ca -0.01 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.70 2b6e s ILE 111 Cb 0.01 -0.89 -0.02 0.00 -1.58 0.00 0.00 42.46 39.98 2b6e s ILE 111 CO 0.12 0.12 -0.18 -1.10 -1.23 0.00 0.00 174.94 172.67 2b6e s GLN 112 N -0.74 1.25 -0.10 2.79 -0.21 0.09 -0.48 119.66 122.26 2b6e s GLN 112 Ca 0.03 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.60 2b6e s GLN 112 Cb -0.06 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.66 2b6e s GLN 112 CO 0.00 0.34 -0.15 0.08 -2.12 0.00 0.00 175.29 173.44 2b6e s VAL 113 N -0.74 1.45 0.07 1.09 1.01 0.21 -0.29 120.40 123.20 2b6e s VAL 113 Ca 0.06 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.52 2b6e s VAL 113 Cb -0.08 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2b6e s VAL 113 CO 0.01 0.43 -0.26 0.26 0.00 0.00 0.00 175.10 175.54 2b6e s TRP 114 N 0.96 2.33 -0.14 5.22 0.52 0.12 -0.62 118.94 127.33 2b6e s TRP 114 Ca -0.08 -0.40 -0.05 0.00 0.02 0.00 0.00 56.10 55.60 2b6e s TRP 114 Cb -0.15 -1.36 -0.04 0.00 -1.15 0.00 0.00 33.47 30.78 2b6e s TRP 114 CO -0.01 0.19 0.03 -1.14 0.02 0.00 0.00 176.95 176.04 2b6e s GLN 115 N -1.47 3.52 -0.18 4.98 0.74 0.02 -0.91 119.66 126.37 2b6e s GLN 115 Ca 0.13 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.14 2b6e s GLN 115 Cb -0.10 -3.01 0.05 0.00 1.10 0.00 0.00 33.01 31.06 2b6e s GLN 115 CO 0.03 0.47 0.02 0.42 -0.55 0.00 0.00 175.29 175.68 2b6e s ILE 116 N -0.22 0.59 -0.13 -2.34 1.09 -0.20 -1.04 121.20 118.96 2b6e s ILE 116 Ca 0.06 -0.49 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 2b6e s ILE 116 Cb -0.12 -1.01 -0.03 0.00 -1.06 0.00 0.00 42.46 40.23 2b6e s ILE 116 CO 0.02 -0.11 -0.01 -1.81 -0.10 0.00 0.00 174.94 172.93 2b6e s ASP 117 N 1.84 5.06 -0.13 3.58 1.11 -0.93 -0.63 116.67 126.58 2b6e s ASP 117 Ca -0.00 0.00 0.00 0.00 0.18 0.00 0.00 52.55 52.73 2b6e s ASP 117 Cb -0.16 -1.66 -0.01 0.00 1.07 0.00 0.00 42.92 42.15 2b6e s ASP 117 CO -0.07 0.25 -0.14 -0.63 1.18 0.00 0.00 175.17 175.75 2b6e s ILE 118 N -0.14 2.91 0.19 0.77 1.01 0.27 -1.22 121.20 125.00 2b6e s ILE 118 Ca 0.04 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.08 2b6e s ILE 118 Cb -0.13 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2b6e s ILE 118 CO 0.02 0.53 -0.20 0.00 0.00 0.00 0.00 174.94 175.29 2b6e s ARG 119 N 0.39 1.42 0.90 2.79 1.70 -0.22 -0.62 118.95 125.32 2b6e s ARG 119 Ca -0.11 -1.51 -0.12 0.00 -0.47 0.00 0.00 55.73 53.51 2b6e s ARG 119 Cb -0.16 -1.56 0.18 0.00 -0.57 0.00 0.00 34.95 32.84 2b6e s ARG 119 CO 0.06 0.32 1.24 0.95 -1.08 0.00 0.00 175.30 176.79 2b6e s THR 120 N -2.03 2.03 -0.41 4.99 -4.23 0.23 -0.94 115.64 115.28 2b6e s THR 120 Ca 0.20 -0.15 0.23 0.00 -1.18 0.00 0.00 61.69 60.79 2b6e s THR 120 Cb -0.06 -2.88 0.24 0.00 1.34 0.00 0.00 72.50 71.13 2b6e s THR 120 CO 0.09 0.00 1.70 -1.84 -0.54 0.00 0.00 174.62 174.03 2b6e n GLU 121 N -3.53 0.18 -0.32 3.99 0.28 -1.22 -0.43 120.64 119.58 2b6e n GLU 121 Ca 0.15 0.48 0.09 0.00 -0.16 0.00 0.00 57.16 57.71 2b6e n GLU 121 Cb 0.60 -1.90 0.25 0.00 1.43 0.00 0.00 31.44 31.82 2b6e n GLU 121 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2b6e n GLU 122 N -2.25 2.45 -2.66 3.44 -0.58 -1.26 -4.93 120.64 114.85 2b6e n GLU 122 Ca 0.01 -2.03 -0.21 0.00 -0.42 0.00 0.00 57.16 54.51 2b6e n GLU 122 Cb 0.18 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.06 -5.87 -4.82 1.62 4.13 0.42 -5.00 115.26 106.81 2b6e n ASN 123 Ca 0.19 -0.14 -0.36 0.00 1.68 0.00 0.00 54.58 55.95 2b6e n ASN 123 Cb 0.52 -4.79 -0.07 0.00 -1.54 0.00 0.00 39.78 33.90 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 -5.30 3.77 -0.06 3.52 -0.14 -1.26 -4.80 119.74 115.46 2b6e s LYS 124 Ca 0.13 -0.12 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 2b6e s LYS 124 Cb -0.06 -3.28 -0.04 0.00 -1.68 0.00 0.00 37.83 32.77 2b6e s LYS 124 CO 0.17 0.58 1.41 -1.17 -0.76 0.00 0.00 175.35 175.58 2b6e s LEU 125 N -0.48 4.28 -0.01 3.17 2.96 -1.26 -0.60 118.68 126.74 2b6e s LEU 125 Ca 0.13 2.01 0.08 0.00 -0.22 0.00 0.00 54.13 56.13 2b6e s LEU 125 Cb -0.12 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 2b6e s LEU 125 CO 0.02 -0.77 0.25 0.00 -1.32 0.00 0.00 176.35 174.53 2b6e s VAL 128 N 0.46 1.35 0.04 0.00 -7.23 -0.95 -0.57 120.40 113.50 2b6e s VAL 128 Ca -0.00 -0.68 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2b6e s VAL 128 Cb -0.05 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.70 2b6e s VAL 128 CO -0.01 0.39 -0.02 -0.55 -0.31 0.00 0.00 175.10 174.60 2b6e s SER 129 N 0.00 0.35 -0.03 4.85 0.15 0.20 -1.33 113.70 117.89 2b6e s SER 129 Ca -0.02 -0.74 0.02 0.00 0.70 0.00 0.00 55.95 55.91 2b6e s SER 129 Cb -0.11 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2b6e s SER 129 CO 0.02 -0.46 -0.09 -0.60 1.20 0.00 0.00 173.24 173.30 2b6e s ARG 130 N -2.74 1.10 -0.05 5.44 3.52 -0.90 -1.04 118.95 124.28 2b6e s ARG 130 Ca -0.04 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2b6e s ARG 130 Cb -0.01 -1.00 -0.01 0.00 -1.56 0.00 0.00 34.95 32.37 2b6e s ARG 130 CO -0.06 0.08 -0.21 -1.17 -0.81 0.00 0.00 175.30 173.14 2b6e s LEU 131 N 0.34 1.99 -0.18 -0.88 2.96 -0.08 -1.79 118.68 121.03 2b6e s LEU 131 Ca -0.06 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 2b6e s LEU 131 Cb -0.11 -1.17 -0.02 0.00 0.50 0.00 0.00 46.19 45.40 2b6e s LEU 131 CO 0.01 0.19 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.29 2b6e s THR 132 N -0.04 3.47 0.14 3.68 2.01 -0.39 -0.71 115.64 123.81 2b6e s THR 132 Ca -0.04 -0.48 0.11 0.00 0.31 0.00 0.00 61.69 61.58 2b6e s THR 132 Cb -0.13 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 2b6e s THR 132 CO 0.03 0.46 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.41 2b6e s LEU 133 N 0.90 2.40 -0.10 4.42 1.43 0.60 -0.60 118.68 127.74 2b6e s LEU 133 Ca -0.01 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2b6e s LEU 133 Cb -0.15 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2b6e s LEU 133 CO 0.01 0.17 -0.01 -0.55 0.23 0.00 0.00 176.35 176.20 2b6e s SER 134 N -2.21 5.12 -0.14 2.29 0.15 -0.39 -0.73 113.70 117.80 2b6e s SER 134 Ca 0.16 0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.72 2b6e s SER 134 Cb -0.10 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2b6e s SER 134 CO 0.07 0.34 0.46 -0.69 1.20 0.00 0.00 173.24 174.62 2b6e s VAL 135 N -0.65 5.19 0.23 4.45 1.01 0.48 -1.56 120.40 129.56 2b6e s VAL 135 Ca 0.10 0.90 0.03 0.00 0.00 0.00 0.00 61.98 63.02 2b6e s VAL 135 Cb -0.12 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2b6e s VAL 135 CO 0.02 0.31 0.01 0.27 0.00 0.00 0.00 175.10 175.71 2b6e s ILE 136 N 0.76 0.96 -2.61 2.22 -4.36 -0.01 -4.89 121.20 113.26 2b6e s ILE 136 Ca 0.24 -2.02 0.27 0.00 -0.26 0.00 0.00 60.65 58.88 2b6e s ILE 136 Cb -0.15 -2.37 0.47 0.00 1.25 0.00 0.00 42.46 41.66 2b6e s ILE 136 CO 0.09 -0.29 1.63 0.59 0.24 0.00 0.00 174.94 177.21