#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2glm s GLN 9 N 0.00 2.34 0.00 1.47 -1.52 -1.26 -5.02 119.66 115.67 2glm s GLN 9 Ca 0.00 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.93 2glm s GLN 9 Cb 0.00 -2.30 0.00 0.00 -0.22 0.00 0.00 33.01 30.49 2glm s GLN 9 CO 0.00 -1.02 0.16 -1.13 -0.25 0.00 0.00 175.29 173.06 2glm n SER 10 N -2.68 0.33 -3.93 5.90 3.41 -1.26 -4.75 113.62 110.63 2glm n SER 10 Ca 0.08 -0.87 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 2glm n SER 10 Cb 0.60 0.06 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 2glm n SER 10 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2glm s GLN 11 N -0.06 1.70 -0.02 4.33 0.74 -1.26 -1.99 119.66 123.09 2glm s GLN 11 Ca 0.00 -0.61 0.05 0.00 0.05 0.00 0.00 55.36 54.85 2glm s GLN 11 Cb 0.00 -2.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.98 2glm s GLN 11 CO 0.00 -0.40 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.12 2glm s PHE 12 N 1.55 1.43 0.36 1.67 0.40 0.22 -5.00 117.98 118.61 2glm s PHE 12 Ca 0.01 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 2glm s PHE 12 Cb -0.15 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 2glm s PHE 12 CO -0.08 -0.05 0.42 -0.06 0.70 0.00 0.00 175.22 176.14 2glm s PHE 13 N -0.26 2.93 0.54 0.36 0.40 -1.26 -0.00 117.98 120.69 2glm s PHE 13 Ca 0.04 -0.32 0.47 0.00 -0.60 0.00 0.00 56.93 56.51 2glm s PHE 13 Cb -0.07 -2.03 1.69 0.00 0.51 0.00 0.00 43.02 43.12 2glm s PHE 13 CO -0.00 -0.04 1.60 0.97 0.70 0.00 0.00 175.22 178.45 2glm h ILE 14 N 0.98 0.05 -0.18 0.64 6.09 -1.88 0.26 117.51 123.47 2glm h ILE 14 Ca -0.44 -0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.02 2glm h ILE 14 Cb 1.26 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 2glm h ILE 14 CO 0.54 0.00 0.01 -0.33 -3.07 0.00 0.00 178.15 175.30 2glm h GLU 15 N 0.01 0.31 0.00 2.19 4.39 -1.94 -1.98 114.58 117.56 2glm h GLU 15 Ca 0.89 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 60.38 2glm h GLU 15 Cb 3.49 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 32.09 2glm h GLU 15 CO -0.07 0.51 -0.55 0.45 -1.16 0.00 0.00 179.01 178.18 2glm h HIS 16 N 0.08 0.00 -0.26 4.33 3.86 -0.88 -2.98 115.15 119.30 2glm h HIS 16 Ca 0.05 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 2glm h HIS 16 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 2glm h HIS 16 CO 0.03 0.55 -0.36 0.82 0.86 0.00 0.00 177.93 179.83 2glm h ILE 17 N 0.00 1.29 -0.01 2.45 2.04 -1.31 -2.87 117.51 119.10 2glm h ILE 17 Ca -0.01 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.26 2glm h ILE 17 Cb 1.01 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2glm h ILE 17 CO 0.07 0.48 -0.46 -0.07 0.00 0.00 0.00 178.15 178.17 2glm h LEU 18 N 0.48 0.02 -0.00 1.44 3.38 -1.23 -1.46 115.31 117.93 2glm h LEU 18 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2glm h LEU 18 Cb 0.85 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2glm h LEU 18 CO 0.07 0.48 -0.05 0.00 0.09 0.00 0.00 178.44 179.03 2glm n GLN 19 N -3.99 0.03 -0.05 1.13 6.02 -1.10 -4.25 117.38 115.18 2glm n GLN 19 Ca -0.02 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 2glm n GLN 19 Cb 0.49 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 2glm n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2glm n ILE 20 N -1.48 0.56 -3.13 5.09 2.08 -1.10 -4.20 119.36 117.17 2glm n ILE 20 Ca 0.07 -0.17 -0.36 0.00 0.56 0.00 0.00 62.75 62.85 2glm n ILE 20 Cb 0.33 -1.28 -0.06 0.00 -0.75 0.00 0.00 39.64 37.89 2glm n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2glm s LEU 21 N -6.10 4.33 0.34 1.39 1.43 -0.57 -4.75 118.68 114.74 2glm s LEU 21 Ca -0.14 1.38 0.21 0.00 -1.03 0.00 0.00 54.13 54.55 2glm s LEU 21 Cb 0.05 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 42.88 2glm s LEU 21 CO 0.20 0.03 1.43 1.55 0.23 0.00 0.00 176.35 179.78 2glm h PRO 22 N 3.38 0.00 -6.65 1.29 0.13 -1.87 -3.44 132.00 124.84 2glm h PRO 22 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 2glm h PRO 22 Cb 1.19 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.46 2glm h PRO 22 CO 0.65 0.13 0.11 0.72 -0.23 0.00 0.00 178.00 179.38 2glm n HIS 23 N -3.04 0.97 -4.21 1.56 8.25 -1.26 -5.02 115.22 112.47 2glm n HIS 23 Ca 0.02 0.54 -0.15 0.00 -0.26 0.00 0.00 57.72 57.87 2glm n HIS 23 Cb 0.60 -2.19 -0.08 0.00 1.12 0.00 0.00 29.99 29.43 2glm n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2glm s ARG 24 N -2.09 1.49 0.32 -0.41 1.81 -1.26 -4.69 118.95 114.12 2glm s ARG 24 Ca 0.65 -1.76 -0.29 0.00 -1.72 0.00 0.00 55.73 52.60 2glm s ARG 24 Cb -0.53 0.32 -0.12 0.00 -0.45 0.00 0.00 34.95 34.17 2glm s ARG 24 CO 0.55 -0.54 1.54 0.98 -0.68 0.00 0.00 175.30 177.15 2glm n TYR 25 N -0.44 2.85 -1.49 -0.53 4.19 -1.26 1.00 117.16 121.49 2glm n TYR 25 Ca 0.04 0.34 -0.36 0.00 3.31 0.00 0.00 57.90 61.23 2glm n TYR 25 Cb 0.64 -2.56 0.07 0.00 0.49 0.00 0.00 39.34 37.98 2glm n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2glm n PRO 26 N 1.49 2.72 0.00 2.98 -0.04 -1.26 -4.92 135.00 135.97 2glm n PRO 26 Ca 0.06 -3.36 0.00 0.00 -0.04 0.00 0.00 63.50 60.15 2glm n PRO 26 Cb 0.37 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2glm n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2glm n MET 27 N -0.82 2.44 -3.03 0.54 2.81 0.28 -4.92 117.12 114.42 2glm n MET 27 Ca 0.60 -1.32 -0.44 0.00 -1.81 0.00 0.00 57.70 54.74 2glm n MET 27 Cb 0.56 -0.91 -0.05 0.00 -0.71 0.00 0.00 33.22 32.11 2glm n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2glm s LEU 28 N -0.82 4.95 -0.35 4.03 2.96 -0.93 -4.63 118.68 123.89 2glm s LEU 28 Ca 0.00 -1.15 0.08 0.00 -0.22 0.00 0.00 54.13 52.84 2glm s LEU 28 Cb 0.00 -2.39 0.61 0.00 0.50 0.00 0.00 46.19 44.91 2glm s LEU 28 CO 0.00 -1.18 1.69 0.18 -1.32 0.00 0.00 176.35 175.72 2glm n LEU 29 N 6.77 5.42 -4.04 -0.68 4.77 -1.26 -4.90 117.00 123.08 2glm n LEU 29 Ca -0.07 -3.56 -0.28 0.00 -0.03 0.00 0.00 56.01 52.07 2glm n LEU 29 Cb 0.44 -0.72 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2glm n LEU 29 CO 0.60 1.06 -0.49 -0.69 -1.33 0.00 0.00 177.39 176.54 2glm s VAL 30 N -3.19 1.47 -0.20 4.08 1.01 -1.26 -4.61 120.40 117.69 2glm s VAL 30 Ca 0.51 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2glm s VAL 30 Cb 0.43 -1.35 -0.21 0.00 0.00 0.00 0.00 36.38 35.25 2glm s VAL 30 CO 0.07 0.44 0.03 0.47 0.00 0.00 0.00 175.10 176.10 2glm n ASP 31 N 4.31 1.47 -3.65 3.32 10.43 -0.64 -4.93 116.55 126.86 2glm n ASP 31 Ca -0.18 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.04 2glm n ASP 31 Cb 0.51 -0.15 -0.08 0.00 1.84 0.00 0.00 41.12 43.25 2glm n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2glm s ARG 32 N -2.53 0.78 -0.27 -1.24 3.52 -0.99 -2.79 118.95 115.43 2glm s ARG 32 Ca -0.24 0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 56.14 2glm s ARG 32 Cb 0.08 0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 33.80 2glm s ARG 32 CO 0.70 -0.10 0.23 0.42 -0.81 0.00 0.00 175.30 175.75 2glm s ILE 33 N 0.31 5.28 -0.07 4.11 -1.09 1.00 -1.35 121.20 129.39 2glm s ILE 33 Ca -0.00 0.27 0.21 0.00 -2.23 0.00 0.00 60.65 58.90 2glm s ILE 33 Cb -0.05 -3.57 -0.32 0.00 -1.58 0.00 0.00 42.46 36.94 2glm s ILE 33 CO 0.01 0.23 0.48 0.35 -1.23 0.00 0.00 174.94 174.78 2glm n THR 34 N 5.01 0.00 -3.74 2.92 -2.24 0.54 -0.61 114.28 116.17 2glm n THR 34 Ca -0.13 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 2glm n THR 34 Cb 0.52 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 2glm n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2glm s GLU 35 N -3.43 0.49 -0.24 -0.78 2.12 -0.84 -4.51 118.70 111.51 2glm s GLU 35 Ca -0.07 0.49 -0.06 0.00 0.36 0.00 0.00 54.97 55.69 2glm s GLU 35 Cb 0.13 0.24 0.12 0.00 0.26 0.00 0.00 34.13 34.88 2glm s GLU 35 CO 0.87 -0.07 0.48 -1.17 -0.54 0.00 0.00 175.26 174.83 2glm s LEU 36 N 0.07 -0.83 -0.31 2.70 0.20 -1.10 -0.91 118.68 118.48 2glm s LEU 36 Ca -0.01 0.94 0.00 0.00 0.69 0.00 0.00 54.13 55.74 2glm s LEU 36 Cb -0.03 1.59 0.07 0.00 -0.43 0.00 0.00 46.19 47.39 2glm s LEU 36 CO 0.01 -0.25 0.01 -1.10 -0.29 0.00 0.00 176.35 174.73 2glm s GLN 37 N 2.69 2.19 0.16 1.98 -0.21 -0.27 -4.59 119.66 121.61 2glm s GLN 37 Ca 0.03 -1.45 -0.32 0.00 0.02 0.00 0.00 55.36 53.64 2glm s GLN 37 Cb -0.13 -3.17 -0.17 0.00 1.00 0.00 0.00 33.01 30.54 2glm s GLN 37 CO -0.16 -0.72 0.93 0.00 -2.12 0.00 0.00 175.29 173.22 2glm n ALA 38 N 4.52 -1.96 -1.18 6.09 0.00 -1.26 -0.96 120.51 125.76 2glm n ALA 38 Ca -0.09 0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.75 2glm n ALA 38 Cb 0.43 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2glm n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2glm n ASN 39 N 1.82 -5.70 0.00 0.00 3.02 -1.26 -4.71 115.26 108.42 2glm n ASN 39 Ca 0.16 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 2glm n ASN 39 Cb 0.22 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.53 2glm n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2glm n GLN 40 N -0.12 0.00 -4.21 3.52 1.13 -0.13 -4.78 117.38 112.79 2glm n GLN 40 Ca -0.07 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.87 2glm n GLN 40 Cb 0.55 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.80 2glm n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2glm s LYS 41 N -0.86 1.23 -0.12 -1.09 -2.85 -0.79 0.29 119.74 115.56 2glm s LYS 41 Ca 0.00 -1.65 -0.25 0.00 -1.00 0.00 0.00 55.97 53.08 2glm s LYS 41 Cb 0.00 0.23 0.06 0.00 -2.06 0.00 0.00 37.83 36.06 2glm s LYS 41 CO 0.00 -0.39 0.60 -1.50 0.10 0.00 0.00 175.35 174.16 2glm s ILE 42 N -4.12 0.01 -0.08 3.79 2.07 -0.40 -1.11 121.20 121.36 2glm s ILE 42 Ca 0.39 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 2glm s ILE 42 Cb 0.07 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.80 2glm s ILE 42 CO 0.12 -0.04 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.37 2glm s VAL 43 N -0.60 0.75 0.28 4.00 1.01 -0.09 -1.39 120.40 124.37 2glm s VAL 43 Ca -0.07 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2glm s VAL 43 Cb -0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2glm s VAL 43 CO 0.05 0.31 0.24 0.00 0.00 0.00 0.00 175.10 175.70 2glm s ALA 44 N 1.46 1.43 0.05 5.51 0.00 0.12 -0.34 121.76 129.98 2glm s ALA 44 Ca -0.01 -1.84 -0.21 0.00 0.00 0.00 0.00 51.96 49.90 2glm s ALA 44 Cb -0.13 1.41 0.05 0.00 0.00 0.00 0.00 23.12 24.44 2glm s ALA 44 CO -0.04 -0.65 0.47 1.52 0.00 0.00 0.00 175.76 177.06 2glm s TYR 45 N -3.72 -0.36 -0.06 0.00 -0.85 -0.46 0.20 117.35 112.10 2glm s TYR 45 Ca 0.39 0.37 0.02 0.00 -0.52 0.00 0.00 57.07 57.33 2glm s TYR 45 Cb 0.04 0.29 0.01 0.00 0.38 0.00 0.00 41.96 42.68 2glm s TYR 45 CO 0.20 -0.61 -0.11 0.21 -1.52 0.00 0.00 175.55 173.72 2glm s LYS 46 N -2.45 1.57 0.33 -3.49 2.20 -0.27 -1.61 119.74 116.01 2glm s LYS 46 Ca -0.05 -0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 54.94 2glm s LYS 46 Cb -0.01 -1.33 -0.10 0.00 -1.51 0.00 0.00 37.83 34.89 2glm s LYS 46 CO -0.02 0.00 0.95 -0.80 -0.36 0.00 0.00 175.35 175.12 2glm s ASN 47 N 0.73 7.31 -0.21 1.43 0.01 -1.26 -1.87 114.94 121.07 2glm s ASN 47 Ca -0.14 1.83 -0.05 0.00 -0.71 0.00 0.00 52.86 53.80 2glm s ASN 47 Cb -0.16 -2.58 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 2glm s ASN 47 CO 0.03 -0.09 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.89 2glm s ILE 48 N -1.65 3.80 0.10 0.60 -1.09 -0.06 -4.94 121.20 117.96 2glm s ILE 48 Ca 0.51 -0.36 0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2glm s ILE 48 Cb -0.18 -2.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 2glm s ILE 48 CO 0.23 0.42 -0.13 0.28 -1.23 0.00 0.00 174.94 174.51 2glm s THR 49 N 1.20 1.13 0.45 2.92 -1.32 -1.26 0.75 115.64 119.50 2glm s THR 49 Ca 0.03 -1.54 0.33 0.00 -1.21 0.00 0.00 61.69 59.30 2glm s THR 49 Cb -0.15 -1.30 0.35 0.00 -1.51 0.00 0.00 72.50 69.90 2glm s THR 49 CO 0.01 -0.39 2.16 0.15 -2.21 0.00 0.00 174.62 174.34 2glm h PHE 50 N 3.82 0.00 0.00 9.09 3.57 -1.96 -3.13 116.94 128.34 2glm h PHE 50 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 2glm h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2glm h PHE 50 CO 0.64 0.06 0.00 -1.71 -2.23 0.00 0.00 178.31 175.07 2glm n ASN 51 N -3.45 3.83 -4.36 0.41 5.15 -1.26 -4.76 115.26 110.81 2glm n ASN 51 Ca -0.02 -2.01 -0.32 0.00 -0.60 0.00 0.00 54.58 51.64 2glm n ASN 51 Cb 0.19 -0.78 -0.15 0.00 -0.53 0.00 0.00 39.78 38.51 2glm n ASN 51 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2glm s GLU 52 N 0.32 2.46 0.47 1.20 2.02 -1.18 -5.04 118.70 118.95 2glm s GLU 52 Ca 0.00 -0.82 0.13 0.00 0.02 0.00 0.00 54.97 54.29 2glm s GLU 52 Cb 0.00 -2.24 1.07 0.00 0.10 0.00 0.00 34.13 33.06 2glm s GLU 52 CO 0.00 0.51 2.08 0.22 0.02 0.00 0.00 175.26 178.09 2glm h ASP 53 N 5.68 0.16 0.03 -0.19 3.58 -1.93 -2.55 116.42 121.19 2glm h ASP 53 Ca -0.40 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 2glm h ASP 53 Cb 1.15 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2glm h ASP 53 CO 0.49 0.16 -0.01 1.62 -2.88 0.00 0.00 179.24 178.62 2glm h VAL 54 N 0.18 0.31 0.00 2.25 3.04 -1.96 -1.66 116.25 118.41 2glm h VAL 54 Ca 0.05 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.68 2glm h VAL 54 Cb 0.06 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2glm h VAL 54 CO -0.00 0.01 -0.13 -0.26 -1.01 0.00 0.00 177.57 176.17 2glm h PHE 55 N 0.00 0.00 -0.63 3.17 -1.00 -1.74 -2.97 116.94 113.77 2glm h PHE 55 Ca -0.00 0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.91 2glm h PHE 55 Cb 0.02 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 2glm h PHE 55 CO 0.00 0.13 0.43 -0.91 -1.61 0.00 0.00 178.31 176.35 2glm h ASN 56 N 0.00 0.28 0.00 2.17 2.35 -1.47 -2.98 115.58 115.94 2glm h ASN 56 Ca -0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2glm h ASN 56 Cb 0.86 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2glm h ASN 56 CO 0.02 0.16 -0.14 0.61 -1.65 0.00 0.00 177.43 176.43 2glm n GLY 57 N -1.55 4.02 2.53 2.83 0.00 -1.18 -4.34 105.19 107.49 2glm n GLY 57 Ca 0.11 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2glm n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2glm n HIS 58 N -1.12 -2.21 -4.34 1.61 -0.00 -1.12 -4.66 115.22 103.37 2glm n HIS 58 Ca 0.13 -2.44 -0.18 0.00 -0.00 0.00 0.00 57.72 55.23 2glm n HIS 58 Cb 0.66 0.79 -0.10 0.00 -0.00 0.00 0.00 29.99 31.34 2glm n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2glm s PHE 59 N 0.10 1.62 0.10 1.57 0.40 -0.46 -1.13 117.98 120.17 2glm s PHE 59 Ca 0.33 -0.78 -0.35 0.00 -0.60 0.00 0.00 56.93 55.53 2glm s PHE 59 Cb 0.13 -0.89 -0.14 0.00 0.51 0.00 0.00 43.02 42.64 2glm s PHE 59 CO -0.16 0.13 1.59 -2.30 0.70 0.00 0.00 175.22 175.17 2glm n PRO 60 N -0.41 1.97 -0.60 0.24 -0.02 -1.26 -0.63 135.00 134.29 2glm n PRO 60 Ca -0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2glm n PRO 60 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2glm n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2glm n ASN 61 N 3.78 0.00 -3.17 2.55 4.13 -1.26 -4.85 115.26 116.43 2glm n ASN 61 Ca 0.18 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.22 2glm n ASN 61 Cb 0.27 -1.17 -0.06 0.00 -1.54 0.00 0.00 39.78 37.28 2glm n ASN 61 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2glm n LYS 62 N -2.00 0.62 -1.65 3.52 3.00 0.20 -5.11 118.16 116.74 2glm n LYS 62 Ca 0.00 -3.03 -0.44 0.00 -0.00 0.00 0.00 58.31 54.84 2glm n LYS 62 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 35.03 33.67 2glm n LYS 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2glm n PRO 63 N 1.73 2.50 -3.74 1.64 -0.04 -1.22 -1.36 135.00 134.53 2glm n PRO 63 Ca 0.21 0.88 -0.21 0.00 -0.04 0.00 0.00 63.50 64.34 2glm n PRO 63 Cb 0.53 -2.96 -0.18 0.00 -0.04 0.00 0.00 33.50 30.86 2glm n PRO 63 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2glm s ILE 64 N 5.17 0.17 0.12 0.52 1.01 -0.28 -4.57 121.20 123.33 2glm s ILE 64 Ca 0.93 0.25 -0.31 0.00 0.00 0.00 0.00 60.65 61.51 2glm s ILE 64 Cb -0.49 -0.37 -0.09 0.00 0.01 0.00 0.00 42.46 41.52 2glm s ILE 64 CO 0.43 0.22 1.65 0.12 0.00 0.00 0.00 174.94 177.36 2glm s PHE 65 N 2.01 2.63 0.28 3.97 5.36 -0.40 -4.61 117.98 127.23 2glm s PHE 65 Ca 0.04 0.39 -0.29 0.00 -0.96 0.00 0.00 56.93 56.10 2glm s PHE 65 Cb -0.12 -3.99 -0.13 0.00 -0.34 0.00 0.00 43.02 38.44 2glm s PHE 65 CO -0.04 -3.85 1.24 -2.30 -1.46 0.00 0.00 175.22 168.81 2glm n PRO 66 N 4.97 1.82 -0.19 10.12 -0.02 -1.26 -4.62 135.00 145.81 2glm n PRO 66 Ca 0.15 0.64 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 2glm n PRO 66 Cb 0.39 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2glm n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2glm h GLY 67 N 3.00 0.79 1.87 -1.23 0.00 -1.99 -2.60 103.07 102.91 2glm h GLY 67 Ca -0.44 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2glm h GLY 67 CO 0.67 0.33 0.07 -0.39 0.00 0.00 0.00 176.54 177.22 2glm h VAL 68 N 0.72 1.04 0.00 4.60 -1.51 -2.00 -1.23 116.25 117.88 2glm h VAL 68 Ca 0.19 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.53 2glm h VAL 68 Cb 0.02 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.04 2glm h VAL 68 CO -0.03 0.05 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.20 2glm h LEU 69 N 0.18 0.00 -0.14 4.19 4.07 -1.84 -0.01 115.31 121.76 2glm h LEU 69 Ca 0.05 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.80 2glm h LEU 69 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2glm h LEU 69 CO -0.01 0.09 -0.71 0.40 -1.08 0.00 0.00 178.44 177.13 2glm h ILE 70 N 0.00 1.30 -0.51 1.22 2.04 -1.05 -0.29 117.51 120.22 2glm h ILE 70 Ca -0.00 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 2glm h ILE 70 Cb 0.81 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2glm h ILE 70 CO 0.01 0.61 0.18 0.58 0.00 0.00 0.00 178.15 179.53 2glm h VAL 71 N 0.44 1.22 -0.77 1.67 2.07 -1.11 -1.47 116.25 118.30 2glm h VAL 71 Ca -0.05 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2glm h VAL 71 Cb 1.35 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 2glm h VAL 71 CO 0.15 0.27 0.48 -0.08 0.02 0.00 0.00 177.57 178.41 2glm h GLU 72 N 0.69 0.90 -0.46 1.57 4.57 -0.87 -0.89 114.58 120.08 2glm h GLU 72 Ca 0.17 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.24 2glm h GLU 72 Cb 0.24 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2glm h GLU 72 CO -0.01 0.60 0.08 0.78 -1.18 0.00 0.00 179.01 179.28 2glm h GLY 73 N 0.93 0.76 1.01 1.92 0.00 -0.59 -2.16 103.07 104.94 2glm h GLY 73 Ca 0.31 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 2glm h GLY 73 CO -0.13 0.41 -0.15 -0.33 0.00 0.00 0.00 176.54 176.35 2glm h MET 74 N 0.69 0.82 -0.73 4.80 2.86 -0.34 -2.63 114.93 120.40 2glm h MET 74 Ca 0.15 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2glm h MET 74 Cb 0.30 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 2glm h MET 74 CO 0.00 0.97 0.40 0.00 1.06 0.00 0.00 176.91 179.34 2glm h ALA 75 N 0.83 1.34 -0.20 6.32 0.00 -0.80 -1.38 119.26 125.37 2glm h ALA 75 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2glm h ALA 75 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2glm h ALA 75 CO 0.05 0.55 -0.42 1.96 0.00 0.00 0.00 179.25 181.38 2glm h GLN 76 N 1.01 0.47 -0.31 0.00 4.20 -1.31 0.24 115.11 119.41 2glm h GLN 76 Ca 0.26 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2glm h GLN 76 Cb 0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2glm h GLN 76 CO -0.04 0.81 0.08 0.77 -0.67 0.00 0.00 178.83 179.78 2glm h SER 77 N 0.38 0.46 0.10 1.46 0.02 -1.03 -0.02 113.55 114.91 2glm h SER 77 Ca 0.03 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2glm h SER 77 Cb 0.91 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2glm h SER 77 CO 0.08 0.56 -0.27 1.23 -1.14 0.00 0.00 176.83 177.29 2glm h GLY 78 N 0.33 0.30 1.82 -3.77 0.00 -1.02 -1.34 103.07 99.39 2glm h GLY 78 Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 2glm h GLY 78 CO -0.00 0.22 -0.42 -1.33 0.00 0.00 0.00 176.54 175.00 2glm h GLY 79 N 1.00 0.22 1.30 4.60 0.00 -0.02 0.18 103.07 110.36 2glm h GLY 79 Ca 0.04 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 2glm h GLY 79 CO 0.04 0.19 -0.70 -2.75 0.00 0.00 0.00 176.54 173.32 2glm h PHE 80 N 0.17 0.92 -0.53 5.60 3.04 -0.48 -1.78 116.94 123.88 2glm h PHE 80 Ca 0.01 -0.39 -0.06 0.00 3.98 0.00 0.00 57.97 61.52 2glm h PHE 80 Cb 0.82 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 2glm h PHE 80 CO 0.01 1.19 0.11 1.25 -2.02 0.00 0.00 178.31 178.85 2glm h LEU 81 N 0.49 0.83 -0.21 0.59 5.85 -0.85 -2.54 115.31 119.47 2glm h LEU 81 Ca -0.03 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2glm h LEU 81 Cb 1.31 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2glm h LEU 81 CO 0.14 0.86 0.01 0.00 -0.34 0.00 0.00 178.44 179.11 2glm h ALA 82 N 1.00 0.28 -0.04 1.25 0.00 -0.56 -1.89 119.26 119.29 2glm h ALA 82 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2glm h ALA 82 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2glm h ALA 82 CO 0.01 -0.02 0.02 0.35 0.00 0.00 0.00 179.25 179.61 2glm h PHE 83 N 0.13 0.06 0.00 0.00 3.57 -1.31 -2.00 116.94 117.39 2glm h PHE 83 Ca 0.06 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2glm h PHE 83 Cb 0.36 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2glm h PHE 83 CO 0.03 0.11 -0.23 1.79 -2.23 0.00 0.00 178.31 177.78 2glm h THR 84 N -0.01 1.15 -0.07 4.41 1.35 -1.48 -0.82 112.91 117.44 2glm h THR 84 Ca 0.02 -0.79 -0.14 0.00 -0.55 0.00 0.00 66.41 64.94 2glm h THR 84 Cb 0.07 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 2glm h THR 84 CO -0.00 0.22 -0.60 0.28 -0.25 0.00 0.00 175.52 175.17 2glm h SER 85 N 0.00 0.26 0.04 5.36 0.02 -1.03 0.11 113.55 118.31 2glm h SER 85 Ca -0.00 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2glm h SER 85 Cb 0.41 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2glm h SER 85 CO 0.03 0.80 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.43 2glm h LEU 86 N 0.17 -0.05 -1.79 5.07 3.38 -0.67 -3.41 115.31 118.00 2glm h LEU 86 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2glm h LEU 86 Cb 1.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2glm h LEU 86 CO 0.09 0.23 0.00 0.79 0.09 0.00 0.00 178.44 179.64 2glm n TRP 87 N -3.61 0.09 -4.36 1.13 8.01 -0.38 -5.10 117.44 113.21 2glm n TRP 87 Ca -0.01 -0.06 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 2glm n TRP 87 Cb 0.02 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.32 2glm n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2glm n GLY 88 N 0.95 -1.48 3.58 6.99 0.00 0.39 -4.24 105.19 111.38 2glm n GLY 88 Ca 0.11 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 2glm n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2glm s PHE 89 N 0.00 2.47 -0.54 1.61 5.36 -1.26 -4.36 117.98 121.27 2glm s PHE 89 Ca 0.00 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.16 2glm s PHE 89 Cb 0.00 -4.48 0.14 0.00 -0.34 0.00 0.00 43.02 38.34 2glm s PHE 89 CO 0.00 -1.60 0.31 0.34 -1.46 0.00 0.00 175.22 172.81 2glm s ASP 90 N 5.07 4.20 0.39 6.13 -1.08 -1.26 -4.96 116.67 125.16 2glm s ASP 90 Ca 0.59 -3.13 0.11 0.00 -0.52 0.00 0.00 52.55 49.61 2glm s ASP 90 Cb 0.02 -1.48 0.91 0.00 -1.46 0.00 0.00 42.92 40.92 2glm s ASP 90 CO 0.09 -0.20 1.91 -0.65 0.52 0.00 0.00 175.17 176.85 2glm h PRO 91 N 6.27 0.56 0.10 4.34 0.11 -1.89 -0.34 132.00 141.15 2glm h PRO 91 Ca -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 2glm h PRO 91 Cb 0.87 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 2glm h PRO 91 CO 0.64 0.37 -0.06 1.49 -0.21 0.00 0.00 178.00 180.23 2glm h GLU 92 N 0.57 -0.16 -0.49 1.05 4.57 -1.93 0.32 114.58 118.52 2glm h GLU 92 Ca 0.38 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.52 2glm h GLU 92 Cb 0.67 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 2glm h GLU 92 CO -0.14 -0.10 0.13 0.82 -1.18 0.00 0.00 179.01 178.53 2glm h ILE 93 N -0.16 1.24 -0.03 2.32 2.04 -1.80 -3.03 117.51 118.09 2glm h ILE 93 Ca -0.01 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2glm h ILE 93 Cb 0.14 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2glm h ILE 93 CO 0.01 0.30 -0.22 0.00 0.00 0.00 0.00 178.15 178.24 2glm h ALA 94 N 0.99 1.59 0.00 1.87 0.00 -0.72 -3.21 119.26 119.78 2glm h ALA 94 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2glm h ALA 94 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2glm h ALA 94 CO 0.00 0.31 0.02 1.57 0.00 0.00 0.00 179.25 181.15 2glm h LYS 95 N 0.04 0.00 -0.38 0.00 2.10 -0.25 -2.24 116.57 115.84 2glm h LYS 95 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2glm h LYS 95 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2glm h LYS 95 CO 0.03 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.73 2glm n THR 96 N -2.90 0.95 -3.94 0.07 -2.24 -1.21 -5.00 114.28 100.01 2glm n THR 96 Ca -0.03 -0.98 -0.27 0.00 -2.27 0.00 0.00 64.05 60.50 2glm n THR 96 Cb 0.08 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 2glm n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2glm s LYS 97 N -1.00 3.43 0.37 -0.78 3.01 -0.84 -0.03 119.74 123.89 2glm s LYS 97 Ca 0.26 -0.57 0.04 0.00 -1.01 0.00 0.00 55.97 54.69 2glm s LYS 97 Cb 0.14 -2.98 -0.04 0.00 -1.01 0.00 0.00 37.83 33.95 2glm s LYS 97 CO 0.18 0.54 0.11 0.96 0.51 0.00 0.00 175.35 177.65 2glm s ILE 98 N -1.69 0.72 -0.09 2.17 -0.00 0.08 -4.53 121.20 117.86 2glm s ILE 98 Ca 0.35 -2.00 -0.01 0.00 -0.00 0.00 0.00 60.65 58.98 2glm s ILE 98 Cb -0.11 -2.49 0.03 0.00 -0.00 0.00 0.00 42.46 39.89 2glm s ILE 98 CO 0.28 0.00 0.00 -0.69 -0.00 0.00 0.00 174.94 174.54 2glm s VAL 99 N -3.29 0.40 -0.06 8.37 1.01 -1.26 -1.68 120.40 123.89 2glm s VAL 99 Ca 0.29 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 2glm s VAL 99 Cb 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2glm s VAL 99 CO 0.15 0.21 0.12 -0.31 0.00 0.00 0.00 175.10 175.27 2glm s TYR 100 N 1.96 3.45 0.22 5.22 1.51 -0.45 -4.95 117.35 124.30 2glm s TYR 100 Ca 0.04 0.36 -0.28 0.00 -1.01 0.00 0.00 57.07 56.18 2glm s TYR 100 Cb -0.13 -1.84 -0.09 0.00 -0.11 0.00 0.00 41.96 39.80 2glm s TYR 100 CO -0.06 0.63 0.88 -0.06 -1.11 0.00 0.00 175.55 175.84 2glm s PHE 101 N -1.12 3.96 -0.11 2.71 0.08 -1.26 -0.76 117.98 121.48 2glm s PHE 101 Ca 0.20 1.82 -0.07 0.00 0.12 0.00 0.00 56.93 59.00 2glm s PHE 101 Cb -0.12 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.37 2glm s PHE 101 CO 0.10 0.48 -0.17 -1.33 -0.10 0.00 0.00 175.22 174.19 2glm n MET 102 N 1.52 0.28 -3.99 0.44 2.81 0.22 -4.88 117.12 113.51 2glm n MET 102 Ca -0.03 0.12 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 2glm n MET 102 Cb 0.48 -0.98 -0.07 0.00 -0.71 0.00 0.00 33.22 31.94 2glm n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2glm s THR 103 N -2.30 0.04 -0.15 2.03 -4.23 -0.91 -4.97 115.64 105.14 2glm s THR 103 Ca -0.18 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2glm s THR 103 Cb 0.06 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.95 2glm s THR 103 CO 0.23 -0.18 0.35 -0.63 -0.54 0.00 0.00 174.62 173.86 2glm s ILE 104 N -4.00 -0.13 0.19 2.99 1.01 -1.26 -1.31 121.20 118.68 2glm s ILE 104 Ca 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 2glm s ILE 104 Cb 0.03 -0.54 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2glm s ILE 104 CO 0.04 0.05 0.10 -1.81 0.00 0.00 0.00 174.94 173.32 2glm s ASP 105 N 1.58 0.41 -1.78 3.58 1.11 -0.06 -4.94 116.67 116.58 2glm s ASP 105 Ca -0.08 -1.34 -0.18 0.00 0.18 0.00 0.00 52.55 51.14 2glm s ASP 105 Cb -0.10 0.31 0.18 0.00 1.07 0.00 0.00 42.92 44.38 2glm s ASP 105 CO -0.11 -0.78 0.44 0.29 1.18 0.00 0.00 175.17 176.19 2glm n LYS 106 N -0.26 -0.77 -3.29 8.23 5.02 -1.26 -2.30 118.16 123.52 2glm n LYS 106 Ca -0.00 0.13 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 2glm n LYS 106 Cb 0.65 -4.38 -0.06 0.00 -0.02 0.00 0.00 35.03 31.23 2glm n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2glm s VAL 107 N -3.52 4.95 -0.02 -0.18 -7.23 -1.26 -4.21 120.40 108.92 2glm s VAL 107 Ca 0.62 1.11 0.01 0.00 -1.81 0.00 0.00 61.98 61.91 2glm s VAL 107 Cb -0.36 -3.86 0.01 0.00 0.56 0.00 0.00 36.38 32.73 2glm s VAL 107 CO 1.01 0.46 -0.04 -0.75 -0.31 0.00 0.00 175.10 175.47 2glm s LYS 108 N -0.38 0.53 -0.22 4.82 2.20 -0.13 -4.97 119.74 121.60 2glm s LYS 108 Ca 0.28 -0.11 -0.06 0.00 -0.36 0.00 0.00 55.97 55.72 2glm s LYS 108 Cb -0.18 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.55 2glm s LYS 108 CO 0.16 0.00 0.04 -0.06 -0.36 0.00 0.00 175.35 175.13 2glm s PHE 109 N 0.45 3.09 -0.19 4.03 0.40 -1.26 -0.96 117.98 123.54 2glm s PHE 109 Ca -0.05 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 2glm s PHE 109 Cb -0.09 -2.15 -0.15 0.00 0.51 0.00 0.00 43.02 41.14 2glm s PHE 109 CO -0.00 -0.22 -0.11 0.54 0.70 0.00 0.00 175.22 176.13 2glm n ARG 110 N 4.41 0.79 -3.88 0.44 1.74 -0.47 -4.99 116.66 114.70 2glm n ARG 110 Ca -0.17 0.08 -0.14 0.00 -0.77 0.00 0.00 57.85 56.85 2glm n ARG 110 Cb 0.52 -1.41 -0.15 0.00 -1.02 0.00 0.00 32.46 30.40 2glm n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2glm s ILE 111 N -2.40 0.05 0.35 0.55 1.01 -1.16 -5.04 121.20 114.57 2glm s ILE 111 Ca -0.21 0.05 -0.27 0.00 0.00 0.00 0.00 60.65 60.22 2glm s ILE 111 Cb 0.06 -0.10 -0.09 0.00 0.01 0.00 0.00 42.46 42.34 2glm s ILE 111 CO 0.53 0.06 1.22 -2.16 0.00 0.00 0.00 174.94 174.59 2glm s PRO 112 N 0.44 4.26 -0.10 2.79 0.04 -1.26 -4.79 135.00 136.38 2glm s PRO 112 Ca -0.04 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2glm s PRO 112 Cb -0.06 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 2glm s PRO 112 CO -0.01 -0.20 0.29 0.08 0.04 0.00 0.00 177.00 177.19 2glm s VAL 113 N -1.25 5.28 0.26 -0.36 1.01 -1.26 -5.03 120.40 119.04 2glm s VAL 113 Ca 0.52 0.54 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2glm s VAL 113 Cb -0.35 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2glm s VAL 113 CO 0.46 0.51 0.10 0.42 0.00 0.00 0.00 175.10 176.59 2glm s THR 114 N -0.38 0.50 0.17 3.92 -4.23 -1.26 -1.27 115.64 113.09 2glm s THR 114 Ca 0.18 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.36 2glm s THR 114 Cb -0.14 -2.62 -0.14 0.00 1.34 0.00 0.00 72.50 70.95 2glm s THR 114 CO 0.07 0.00 1.58 -2.65 -0.54 0.00 0.00 174.62 173.07 2glm n PRO 115 N -0.47 2.19 0.00 3.99 -0.02 -1.26 -1.81 135.00 137.62 2glm n PRO 115 Ca 0.00 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2glm n PRO 115 Cb 0.66 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2glm n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2glm n GLY 116 N 3.35 0.36 3.79 -1.23 0.00 0.23 -4.90 105.19 106.79 2glm n GLY 116 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2glm n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2glm s ASP 117 N -2.10 7.19 -0.71 1.61 -0.00 -0.75 -4.89 116.67 117.03 2glm s ASP 117 Ca 0.00 1.41 -0.15 0.00 -0.00 0.00 0.00 52.55 53.82 2glm s ASP 117 Cb 0.00 -2.42 0.18 0.00 -0.00 0.00 0.00 42.92 40.68 2glm s ASP 117 CO 0.00 0.24 0.65 -0.60 -0.00 0.00 0.00 175.17 175.46 2glm s ARG 118 N -1.06 3.33 -0.53 8.23 3.52 -1.26 -0.88 118.95 130.30 2glm s ARG 118 Ca 0.32 -2.15 -0.28 0.00 -0.13 0.00 0.00 55.73 53.48 2glm s ARG 118 Cb -0.21 -4.36 0.02 0.00 -1.56 0.00 0.00 34.95 28.84 2glm s ARG 118 CO 0.22 -1.30 1.33 -1.17 -0.81 0.00 0.00 175.30 173.56 2glm s LEU 119 N 0.75 3.47 -0.20 -0.88 2.96 -0.78 -4.41 118.68 119.59 2glm s LEU 119 Ca 0.12 0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 54.21 2glm s LEU 119 Cb -0.18 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 2glm s LEU 119 CO -0.04 -1.56 0.42 -0.70 -1.32 0.00 0.00 176.35 173.15 2glm s GLU 120 N 5.16 4.17 -0.19 1.98 2.12 0.24 -1.11 118.70 131.06 2glm s GLU 120 Ca 0.51 0.24 -0.15 0.00 0.36 0.00 0.00 54.97 55.92 2glm s GLU 120 Cb -0.10 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 2glm s GLU 120 CO 0.27 -0.07 0.36 0.71 -0.54 0.00 0.00 175.26 176.00 2glm s TYR 121 N 1.39 3.40 -0.27 5.30 4.12 0.53 0.69 117.35 132.51 2glm s TYR 121 Ca 0.20 0.60 0.03 0.00 0.02 0.00 0.00 57.07 57.92 2glm s TYR 121 Cb -0.15 -2.47 0.07 0.00 -1.52 0.00 0.00 41.96 37.89 2glm s TYR 121 CO 0.08 0.06 -0.07 -1.01 0.02 0.00 0.00 175.55 174.64 2glm s HIS 122 N 1.07 3.11 0.01 2.71 3.76 0.07 -0.71 115.29 125.31 2glm s HIS 122 Ca 0.18 -2.29 0.08 0.00 -0.15 0.00 0.00 55.06 52.88 2glm s HIS 122 Cb -0.14 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 2glm s HIS 122 CO 0.07 -0.87 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.35 2glm s LEU 123 N 1.15 2.29 0.05 0.89 2.01 -0.48 -1.36 118.68 123.23 2glm s LEU 123 Ca -0.05 -0.47 0.07 0.00 0.01 0.00 0.00 54.13 53.70 2glm s LEU 123 Cb -0.20 -1.39 -0.03 0.00 0.01 0.00 0.00 46.19 44.59 2glm s LEU 123 CO -0.06 0.29 -0.20 -1.61 1.01 0.00 0.00 176.35 175.77 2glm s GLU 124 N -1.01 1.31 -0.49 1.70 2.02 0.11 -1.28 118.70 121.06 2glm s GLU 124 Ca 0.12 -0.96 -0.24 0.00 0.02 0.00 0.00 54.97 53.90 2glm s GLU 124 Cb -0.10 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.72 2glm s GLU 124 CO 0.02 0.36 0.90 0.08 0.02 0.00 0.00 175.26 176.64 2glm s VAL 125 N -0.86 4.48 0.05 2.63 1.01 0.15 -1.46 120.40 126.39 2glm s VAL 125 Ca 0.07 0.48 0.09 0.00 0.00 0.00 0.00 61.98 62.62 2glm s VAL 125 Cb -0.09 -4.45 -0.16 0.00 0.00 0.00 0.00 36.38 31.68 2glm s VAL 125 CO 0.02 -0.92 1.24 -0.07 0.00 0.00 0.00 175.10 175.37 2glm h LEU 126 N 10.63 0.00 -7.00 3.92 4.07 -1.12 -3.48 115.31 122.33 2glm h LEU 126 Ca -0.25 0.00 0.19 0.00 0.08 0.00 0.00 57.88 57.90 2glm h LEU 126 Cb 1.08 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.51 2glm h LEU 126 CO 1.04 0.89 0.86 -0.75 -1.08 0.00 0.00 178.44 179.40 2glm s LYS 127 N -2.75 0.11 -0.14 1.13 2.20 -0.92 -5.02 119.74 114.34 2glm s LYS 127 Ca 0.01 0.10 -0.11 0.00 -0.36 0.00 0.00 55.97 55.61 2glm s LYS 127 Cb 0.09 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 2glm s LYS 127 CO 0.81 -0.02 0.37 -3.38 -0.36 0.00 0.00 175.35 172.77 2glm s HIS 128 N -0.23 -0.46 -0.26 4.03 -3.43 -1.26 0.19 115.29 113.88 2glm s HIS 128 Ca 0.07 1.06 -0.04 0.00 -0.80 0.00 0.00 55.06 55.35 2glm s HIS 128 Cb -0.04 0.17 0.09 0.00 -1.43 0.00 0.00 32.58 31.37 2glm s HIS 128 CO -0.13 -0.24 0.11 0.21 -2.00 0.00 0.00 174.74 172.69 2glm s LYS 129 N 0.65 0.25 7.13 -0.38 2.47 0.20 -5.01 119.74 125.06 2glm s LYS 129 Ca -0.04 -0.48 0.00 0.00 -1.56 0.00 0.00 55.97 53.89 2glm s LYS 129 Cb -0.05 -1.48 0.00 0.00 -1.46 0.00 0.00 37.83 34.84 2glm s LYS 129 CO -0.04 -0.91 0.00 0.41 0.16 0.00 0.00 175.35 174.97 2glm n GLY 130 N 5.20 2.92 0.05 5.54 0.00 -1.26 -1.21 105.19 116.43 2glm n GLY 130 Ca -0.06 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2glm n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2glm n MET 131 N 7.76 0.21 -3.39 1.61 2.81 -1.26 -4.79 117.12 120.07 2glm n MET 131 Ca 0.00 -0.11 -0.43 0.00 -1.81 0.00 0.00 57.70 55.36 2glm n MET 131 Cb 0.00 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 30.92 2glm n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2glm s ILE 132 N -2.86 5.17 -0.14 2.02 1.01 -0.35 -1.97 121.20 124.08 2glm s ILE 132 Ca 0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.37 2glm s ILE 132 Cb 0.18 -3.96 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2glm s ILE 132 CO 0.62 -0.32 -0.07 0.26 0.00 0.00 0.00 174.94 175.43 2glm s TRP 133 N 1.93 2.95 -0.29 3.97 0.52 -0.29 -0.62 118.94 127.11 2glm s TRP 133 Ca 0.09 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 2glm s TRP 133 Cb -0.18 -1.89 0.05 0.00 -1.15 0.00 0.00 33.47 30.30 2glm s TRP 133 CO 0.12 -0.03 -0.03 -1.14 0.02 0.00 0.00 176.95 175.88 2glm s GLN 134 N 0.19 2.41 0.31 4.98 0.74 0.13 -1.10 119.66 127.32 2glm s GLN 134 Ca -0.04 -1.27 0.10 0.00 0.05 0.00 0.00 55.36 54.21 2glm s GLN 134 Cb -0.14 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 2glm s GLN 134 CO 0.04 -0.59 -0.07 0.14 -0.55 0.00 0.00 175.29 174.25 2glm s VAL 135 N 1.22 2.67 0.02 1.34 -7.23 -0.19 -0.49 120.40 117.73 2glm s VAL 135 Ca -0.06 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 57.81 2glm s VAL 135 Cb -0.20 -2.63 0.03 0.00 0.56 0.00 0.00 36.38 34.14 2glm s VAL 135 CO -0.02 -0.29 0.39 -0.83 -0.31 0.00 0.00 175.10 174.03 2glm s GLY 136 N -3.63 -0.24 0.00 2.32 0.00 -0.54 -0.59 107.32 104.65 2glm s GLY 136 Ca 0.32 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2glm s GLY 136 CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.00 2glm n GLY 137 N 0.80 -0.69 3.17 0.20 0.00 -0.01 -0.71 105.19 107.95 2glm n GLY 137 Ca -0.20 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 2glm n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2glm s THR 138 N -4.00 0.16 -0.13 2.61 -4.23 -0.46 -1.49 115.64 108.10 2glm s THR 138 Ca 0.00 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2glm s THR 138 Cb 0.00 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.34 2glm s THR 138 CO 0.00 -0.74 0.06 0.00 -0.54 0.00 0.00 174.62 173.40 2glm s ALA 139 N -3.89 3.47 0.03 3.99 0.00 0.31 -0.75 121.76 124.92 2glm s ALA 139 Ca 0.07 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2glm s ALA 139 Cb 0.06 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 2glm s ALA 139 CO -0.10 0.45 -0.11 -0.65 0.00 0.00 0.00 175.76 175.36 2glm s GLN 140 N -0.48 0.74 -0.09 0.00 -0.21 0.22 -1.24 119.66 118.60 2glm s GLN 140 Ca 0.10 -0.66 -0.01 0.00 0.02 0.00 0.00 55.36 54.81 2glm s GLN 140 Cb -0.12 -0.68 0.03 0.00 1.00 0.00 0.00 33.01 33.24 2glm s GLN 140 CO 0.02 0.16 -0.03 0.08 -2.12 0.00 0.00 175.29 173.41 2glm s VAL 141 N -0.86 0.61 -1.29 1.09 1.01 -0.01 0.79 120.40 121.73 2glm s VAL 141 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 2glm s VAL 141 Cb -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2glm s VAL 141 CO 0.01 0.30 0.81 -0.67 0.00 0.00 0.00 175.10 175.54 2glm n ASP 142 N 5.05 -1.69 0.00 3.32 4.64 -1.26 -1.71 116.55 124.89 2glm n ASP 142 Ca -0.09 -0.76 0.00 0.00 -1.38 0.00 0.00 54.79 52.56 2glm n ASP 142 Cb 0.50 -4.37 0.00 0.00 -1.04 0.00 0.00 41.12 36.21 2glm n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2glm n GLY 143 N -1.47 1.17 3.83 0.27 0.00 -1.26 -4.98 105.19 102.75 2glm n GLY 143 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2glm n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2glm s LYS 144 N -0.19 3.20 -0.41 1.61 1.02 -0.69 -5.06 119.74 119.22 2glm s LYS 144 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 2glm s LYS 144 Cb 0.00 -2.95 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2glm s LYS 144 CO 0.00 0.66 1.23 0.08 -0.92 0.00 0.00 175.35 176.40 2glm s VAL 145 N -1.24 4.16 -0.49 3.17 1.01 -1.26 -0.83 120.40 124.92 2glm s VAL 145 Ca 0.24 1.24 0.22 0.00 0.00 0.00 0.00 61.98 63.68 2glm s VAL 145 Cb -0.12 -4.40 -0.20 0.00 0.00 0.00 0.00 36.38 31.66 2glm s VAL 145 CO 0.15 -0.77 0.84 1.33 0.00 0.00 0.00 175.10 176.65 2glm n VAL 146 N 6.65 0.11 -3.56 2.92 0.24 -0.37 -4.57 118.33 119.75 2glm n VAL 146 Ca 0.14 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 2glm n VAL 146 Cb 0.48 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 33.06 2glm n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2glm s ALA 147 N -3.26 -1.79 0.00 2.33 0.00 -1.10 -1.36 121.76 116.57 2glm s ALA 147 Ca 0.01 1.54 0.06 0.00 0.00 0.00 0.00 51.96 53.57 2glm s ALA 147 Cb 0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 2glm s ALA 147 CO 0.85 -0.35 -0.18 -1.21 0.00 0.00 0.00 175.76 174.86 2glm s GLU 148 N -0.73 1.41 -0.07 0.00 2.02 -0.13 -0.53 118.70 120.67 2glm s GLU 148 Ca -0.07 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.90 2glm s GLU 148 Cb -0.02 -1.40 0.09 0.00 0.10 0.00 0.00 34.13 32.91 2glm s GLU 148 CO 0.06 0.38 0.79 0.00 0.02 0.00 0.00 175.26 176.51 2glm s ALA 149 N -0.54 -1.81 -0.03 5.21 0.00 -0.56 -0.95 121.76 123.08 2glm s ALA 149 Ca 0.07 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.39 2glm s ALA 149 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 2glm s ALA 149 CO 0.00 -0.40 -0.14 -2.00 0.00 0.00 0.00 175.76 173.22 2glm s GLU 150 N -1.47 1.41 0.06 0.00 2.12 -0.97 -0.83 118.70 119.01 2glm s GLU 150 Ca -0.06 -0.48 -0.16 0.00 0.36 0.00 0.00 54.97 54.63 2glm s GLU 150 Cb -0.00 -1.26 0.03 0.00 0.26 0.00 0.00 34.13 33.15 2glm s GLU 150 CO 0.05 0.20 0.36 -0.48 -0.54 0.00 0.00 175.26 174.85 2glm s LEU 151 N 0.05 0.64 -0.17 2.70 0.05 0.25 -0.88 118.68 121.31 2glm s LEU 151 Ca -0.02 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.00 2glm s LEU 151 Cb -0.10 1.57 0.03 0.00 -2.05 0.00 0.00 46.19 45.65 2glm s LEU 151 CO 0.01 -0.68 -0.12 -0.75 -0.55 0.00 0.00 176.35 174.26 2glm s LYS 152 N -2.82 2.10 0.18 1.48 2.20 -0.43 -1.02 119.74 121.43 2glm s LYS 152 Ca -0.03 -0.67 0.10 0.00 -0.36 0.00 0.00 55.97 55.01 2glm s LYS 152 Cb -0.00 -2.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 2glm s LYS 152 CO -0.05 -0.34 -0.22 0.00 -0.36 0.00 0.00 175.35 174.38 2glm s ALA 153 N 1.46 2.32 -0.06 3.13 0.00 -0.26 0.73 121.76 129.09 2glm s ALA 153 Ca 0.02 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.46 2glm s ALA 153 Cb -0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2glm s ALA 153 CO -0.09 0.37 -0.20 1.41 0.00 0.00 0.00 175.76 177.25 2glm s MET 154 N -2.65 2.15 -0.09 0.00 1.75 0.06 -1.13 119.30 119.39 2glm s MET 154 Ca 0.18 -0.70 -0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2glm s MET 154 Cb -0.07 -1.80 -0.05 0.00 2.84 0.00 0.00 34.83 35.75 2glm s MET 154 CO 0.08 0.25 0.22 0.96 -0.65 0.00 0.00 175.02 175.89 2glm s ILE 155 N 0.08 5.36 0.07 10.11 -5.25 -0.83 -1.34 121.20 129.39 2glm s ILE 155 Ca -0.07 0.41 0.00 0.00 -0.99 0.00 0.00 60.65 60.01 2glm s ILE 155 Cb -0.13 -3.50 -0.04 0.00 2.95 0.00 0.00 42.46 41.73 2glm s ILE 155 CO 0.04 0.59 -0.05 0.00 -1.79 0.00 0.00 174.94 173.73 2glm s ALA 156 N -0.92 0.68 -0.11 2.27 0.00 -0.67 -4.82 121.76 118.18 2glm s ALA 156 Ca 0.17 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.70 2glm s ALA 156 Cb -0.13 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2glm s ALA 156 CO 0.06 -0.26 0.81 -2.00 0.00 0.00 0.00 175.76 174.37 2glm s GLU 157 N -3.47 4.38 -0.24 0.00 2.56 -1.26 -0.74 118.70 119.93 2glm s GLU 157 Ca 0.06 1.03 -0.34 0.00 0.00 0.00 0.00 54.97 55.72 2glm s GLU 157 Cb 0.04 -3.52 -0.10 0.00 2.00 0.00 0.00 34.13 32.55 2glm s GLU 157 CO -0.06 -0.16 2.08 0.54 -0.56 0.00 0.00 175.26 177.10 2glm n ARG 158 N 4.55 1.60 0.00 4.30 1.74 0.95 -4.91 116.66 124.89 2glm n ARG 158 Ca 0.03 0.50 0.13 0.00 -0.77 0.00 0.00 57.85 57.75 2glm n ARG 158 Cb 0.50 -2.67 0.41 0.00 -1.02 0.00 0.00 32.46 29.68 2glm n ARG 158 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50