#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgm s LYS 2 N 0.00 3.26 0.25 3.17 1.02 -1.26 -2.81 119.74 123.38 3cgm s LYS 2 Ca 0.00 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 3cgm s LYS 2 Cb 0.00 -2.88 -0.10 0.00 -0.52 0.00 0.00 37.83 34.33 3cgm s LYS 2 CO 0.00 0.53 1.32 0.08 -0.92 0.00 0.00 175.35 176.37 3cgm s VAL 3 N -1.66 2.97 0.01 3.17 1.01 0.10 -4.89 120.40 121.11 3cgm s VAL 3 Ca 0.33 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.07 3cgm s VAL 3 Cb -0.11 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.75 3cgm s VAL 3 CO 0.27 0.16 0.46 0.61 0.00 0.00 0.00 175.10 176.59 3cgm n GLY 4 N 1.80 0.62 3.57 4.51 0.00 -1.26 -0.88 105.19 113.54 3cgm n GLY 4 Ca 0.04 -0.94 -0.55 0.00 0.00 0.00 0.00 46.02 44.58 3cgm n GLY 4 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3cgm n GLN 5 N -0.33 0.78 -1.21 1.61 -0.06 -1.26 -1.47 117.38 115.44 3cgm n GLN 5 Ca 0.01 0.28 -0.07 0.00 -2.00 0.00 0.00 57.00 55.22 3cgm n GLN 5 Cb 0.22 -1.88 -0.03 0.00 -4.06 0.00 0.00 30.24 24.49 3cgm n GLN 5 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3cgm n ASP 6 N 2.29 -4.74 -4.87 1.69 8.00 0.09 -5.00 116.55 114.01 3cgm n ASP 6 Ca 0.19 0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.56 3cgm n ASP 6 Cb 0.15 -2.88 -0.04 0.00 -0.02 0.00 0.00 41.12 38.33 3cgm n ASP 6 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3cgm s LYS 7 N -2.28 3.84 -0.28 -1.24 -0.14 -0.54 -3.06 119.74 116.03 3cgm s LYS 7 Ca 0.00 0.53 -0.10 0.00 -1.36 0.00 0.00 55.97 55.04 3cgm s LYS 7 Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 3cgm s LYS 7 CO 0.00 0.01 0.16 0.08 -0.76 0.00 0.00 175.35 174.83 3cgm s VAL 8 N -2.28 4.91 -0.11 3.17 1.01 0.03 -1.35 120.40 125.80 3cgm s VAL 8 Ca 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.44 3cgm s VAL 8 Cb -0.10 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3cgm s VAL 8 CO 0.28 0.22 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 3cgm s VAL 9 N 1.69 3.46 -0.18 2.92 1.01 -0.08 -1.90 120.40 127.32 3cgm s VAL 9 Ca 0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3cgm s VAL 9 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3cgm s VAL 9 CO 0.08 0.55 0.03 -0.89 0.00 0.00 0.00 175.10 174.87 3cgm s THR 10 N -0.16 4.36 0.11 3.92 2.01 0.26 -1.34 115.64 124.78 3cgm s THR 10 Ca 0.01 -0.18 0.07 0.00 0.31 0.00 0.00 61.69 61.90 3cgm s THR 10 Cb -0.13 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3cgm s THR 10 CO 0.03 0.45 -0.18 0.27 -0.69 0.00 0.00 174.62 174.50 3cgm s ILE 11 N 0.59 1.56 -0.09 1.82 -4.36 0.65 -0.61 121.20 120.76 3cgm s ILE 11 Ca 0.01 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 3cgm s ILE 11 Cb -0.14 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 3cgm s ILE 11 CO 0.02 -0.18 -0.09 -0.13 0.24 0.00 0.00 174.94 174.81 3cgm s ARG 12 N -2.10 2.98 0.09 0.37 0.52 -0.85 -1.03 118.95 118.93 3cgm s ARG 12 Ca 0.06 -0.59 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 3cgm s ARG 12 Cb -0.09 -2.62 0.01 0.00 0.52 0.00 0.00 34.95 32.77 3cgm s ARG 12 CO 0.04 0.50 0.25 1.52 0.02 0.00 0.00 175.30 177.63 3cgm s TYR 13 N -0.38 0.04 -0.09 -0.53 1.13 -0.51 -0.71 117.35 116.30 3cgm s TYR 13 Ca 0.05 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 3cgm s TYR 13 Cb -0.12 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.78 3cgm s TYR 13 CO 0.02 -0.56 -0.09 0.99 -2.51 0.00 0.00 175.55 173.41 3cgm s THR 14 N -3.57 1.02 -0.22 -3.49 2.01 0.05 -1.91 115.64 109.53 3cgm s THR 14 Ca 0.02 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 3cgm s THR 14 Cb 0.03 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 3cgm s THR 14 CO -0.10 0.35 0.07 -0.22 -0.69 0.00 0.00 174.62 174.04 3cgm s LEU 15 N 1.34 3.63 -0.06 4.42 2.96 -0.57 -0.52 118.68 129.88 3cgm s LEU 15 Ca -0.02 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3cgm s LEU 15 Cb -0.14 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3cgm s LEU 15 CO -0.04 0.05 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.32 3cgm s GLN 16 N 1.10 1.79 -0.23 1.98 0.74 0.12 -0.98 119.66 124.19 3cgm s GLN 16 Ca 0.04 -0.50 0.02 0.00 0.05 0.00 0.00 55.36 54.98 3cgm s GLN 16 Cb -0.14 -1.48 0.05 0.00 1.10 0.00 0.00 33.01 32.53 3cgm s GLN 16 CO 0.03 0.10 -0.14 0.08 -0.55 0.00 0.00 175.29 174.82 3cgm s VAL 17 N 0.44 2.07 -0.98 1.34 1.01 0.28 -1.22 120.40 123.34 3cgm s VAL 17 Ca -0.11 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.47 3cgm s VAL 17 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3cgm s VAL 17 CO 0.04 0.17 0.85 -0.62 0.00 0.00 0.00 175.10 175.53 3cgm n GLU 18 N 4.52 -5.70 -0.52 2.72 1.02 -1.26 -2.69 120.64 118.73 3cgm n GLU 18 Ca -0.16 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3cgm n GLU 18 Cb 0.45 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 3cgm n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cgm n GLY 19 N -1.49 1.39 3.67 0.62 0.00 -1.26 -5.01 105.19 103.10 3cgm n GLY 19 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3cgm n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cgm s GLU 20 N -0.14 3.58 -0.21 1.61 2.12 -1.09 -5.09 118.70 119.48 3cgm s GLU 20 Ca 0.00 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 3cgm s GLU 20 Cb 0.00 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.34 3cgm s GLU 20 CO 0.00 0.46 1.06 0.08 -0.54 0.00 0.00 175.26 176.33 3cgm s VAL 21 N -0.19 4.64 -0.15 3.70 1.01 -1.26 -0.56 120.40 127.60 3cgm s VAL 21 Ca 0.07 1.98 0.11 0.00 0.00 0.00 0.00 61.98 64.13 3cgm s VAL 21 Cb -0.12 -4.27 -0.16 0.00 0.00 0.00 0.00 36.38 31.82 3cgm s VAL 21 CO 0.02 -0.15 0.01 0.18 0.00 0.00 0.00 175.10 175.15 3cgm n LEU 22 N 6.18 0.55 -3.64 3.92 4.77 -0.15 -4.98 117.00 123.65 3cgm n LEU 22 Ca 0.12 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3cgm n LEU 22 Cb 0.46 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3cgm n LEU 22 CO 0.52 0.43 0.19 -0.62 -1.33 0.00 0.00 177.39 176.58 3cgm s ASP 23 N -4.93 -0.33 -0.12 -1.43 2.15 -1.19 -5.03 116.67 105.79 3cgm s ASP 23 Ca -0.10 0.05 -0.29 0.00 0.43 0.00 0.00 52.55 52.64 3cgm s ASP 23 Cb 0.05 0.44 0.07 0.00 -0.30 0.00 0.00 42.92 43.18 3cgm s ASP 23 CO 0.55 -0.68 0.69 0.00 -0.17 0.00 0.00 175.17 175.56 3cgm s GLN 24 N -2.46 0.98 0.00 4.34 -2.07 -1.26 -1.51 119.66 117.69 3cgm s GLN 24 Ca -0.05 0.49 0.00 0.00 -1.82 0.00 0.00 55.36 53.97 3cgm s GLN 24 Cb -0.01 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.38 3cgm s GLN 24 CO -0.02 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.10 3cgm n GLY 25 N 1.48 -0.64 2.90 2.60 0.00 -0.81 -5.01 105.19 105.73 3cgm n GLY 25 Ca -0.17 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 3cgm n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cgm s GLU 26 N -1.35 0.05 0.07 1.61 2.12 -1.26 -1.42 118.70 118.52 3cgm s GLU 26 Ca 0.00 0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.31 3cgm s GLU 26 Cb 0.00 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.38 3cgm s GLU 26 CO 0.00 -0.04 0.28 -0.48 -0.54 0.00 0.00 175.26 174.48 3cgm s LEU 27 N 0.23 0.99 -0.05 2.70 0.05 -0.20 -4.98 118.68 117.43 3cgm s LEU 27 Ca -0.02 -0.37 0.03 0.00 0.05 0.00 0.00 54.13 53.82 3cgm s LEU 27 Cb -0.03 1.32 -0.03 0.00 -2.05 0.00 0.00 46.19 45.40 3cgm s LEU 27 CO -0.01 -0.69 -0.12 -0.44 -0.55 0.00 0.00 176.35 174.54 3cgm s SER 28 N -2.45 4.18 0.04 1.48 0.01 -1.26 -0.25 113.70 115.46 3cgm s SER 28 Ca -0.00 -0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.04 3cgm s SER 28 Cb 0.01 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 3cgm s SER 28 CO -0.07 0.35 0.12 -0.72 0.41 0.00 0.00 173.24 173.32 3cgm s TYR 29 N -0.75 0.19 -0.37 2.43 -0.85 -0.45 -4.77 117.35 112.77 3cgm s TYR 29 Ca 0.12 -0.50 -0.22 0.00 -0.52 0.00 0.00 57.07 55.94 3cgm s TYR 29 Cb -0.11 -0.13 0.01 0.00 0.38 0.00 0.00 41.96 42.12 3cgm s TYR 29 CO 0.01 -0.40 0.74 -1.17 -1.52 0.00 0.00 175.55 173.21 3cgm s LEU 30 N -2.23 4.19 0.22 -3.49 2.96 -1.26 -0.90 118.68 118.16 3cgm s LEU 30 Ca -0.03 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 3cgm s LEU 30 Cb -0.00 -2.94 -0.09 0.00 0.50 0.00 0.00 46.19 43.66 3cgm s LEU 30 CO -0.05 -0.71 1.14 -2.28 -1.32 0.00 0.00 176.35 173.12 3cgm s HIS 31 N 3.00 3.52 0.00 5.38 5.65 -0.46 -4.04 115.29 128.34 3cgm s HIS 31 Ca 0.29 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.18 3cgm s HIS 31 Cb -0.13 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 3cgm s HIS 31 CO 0.17 -0.81 0.00 0.41 -0.65 0.00 0.00 174.74 173.85 3cgm n GLY 32 N 1.73 0.78 1.77 1.59 0.00 -1.26 -0.73 105.19 109.07 3cgm n GLY 32 Ca 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.68 3cgm n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cgm n HIS 33 N -2.36 0.25 -2.87 1.61 8.25 -1.26 -4.85 115.22 114.00 3cgm n HIS 33 Ca 0.00 -0.85 -0.22 0.00 -0.26 0.00 0.00 57.72 56.39 3cgm n HIS 33 Cb 0.00 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 30.99 3cgm n HIS 33 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cgm n ARG 34 N 0.25 -4.13 0.10 -0.41 1.74 -1.26 -4.88 116.66 108.07 3cgm n ARG 34 Ca 0.06 0.94 0.02 0.00 -0.77 0.00 0.00 57.85 58.09 3cgm n ARG 34 Cb 1.07 -5.76 -0.02 0.00 -1.02 0.00 0.00 32.46 26.73 3cgm n ARG 34 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3cgm h ASN 35 N -1.05 0.00 -1.69 0.55 2.35 -1.91 -3.46 115.58 110.36 3cgm h ASN 35 Ca -0.53 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.62 3cgm h ASN 35 Cb 1.37 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.63 3cgm h ASN 35 CO 0.58 0.52 -0.57 -0.76 -1.65 0.00 0.00 177.43 175.54 3cgm s LEU 36 N -6.18 2.96 0.47 1.61 1.43 -1.26 -5.09 118.68 112.62 3cgm s LEU 36 Ca 0.01 -1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 51.66 3cgm s LEU 36 Cb 0.08 -1.15 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 3cgm s LEU 36 CO 0.77 -0.44 1.34 2.30 0.23 0.00 0.00 176.35 180.56 3cgm n ILE 37 N -1.05 2.99 -0.20 -0.59 -5.35 -1.26 -4.83 119.36 109.07 3cgm n ILE 37 Ca -0.04 -0.50 -0.01 0.00 -0.27 0.00 0.00 62.75 61.94 3cgm n ILE 37 Cb 0.65 -1.68 0.22 0.00 -1.74 0.00 0.00 39.64 37.08 3cgm n ILE 37 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3cgm h PRO 38 N 1.95 0.97 -0.20 6.28 0.11 -1.85 -2.61 132.00 136.66 3cgm h PRO 38 Ca -0.50 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.43 3cgm h PRO 38 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3cgm h PRO 38 CO 0.59 0.71 -0.25 0.78 -0.21 0.00 0.00 178.00 179.62 3cgm h GLY 39 N 1.02 0.40 0.99 -0.55 0.00 -1.52 0.37 103.07 103.79 3cgm h GLY 39 Ca 0.25 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3cgm h GLY 39 CO -0.04 0.29 -0.30 -2.00 0.00 0.00 0.00 176.54 174.49 3cgm h LEU 40 N 0.33 0.78 -1.23 3.11 5.85 -1.71 -1.90 115.31 120.54 3cgm h LEU 40 Ca 0.05 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 3cgm h LEU 40 Cb 0.62 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3cgm h LEU 40 CO 0.04 1.09 0.41 -0.33 -0.34 0.00 0.00 178.44 179.32 3cgm h GLU 41 N 0.49 0.93 -0.30 1.25 5.08 -1.21 -1.10 114.58 119.72 3cgm h GLU 41 Ca 0.05 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3cgm h GLU 41 Cb 0.87 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3cgm h GLU 41 CO 0.07 0.66 -0.12 1.49 -1.00 0.00 0.00 179.01 180.12 3cgm h GLU 42 N 0.95 0.51 0.00 2.33 4.81 -0.75 -0.01 114.58 122.42 3cgm h GLU 42 Ca 0.25 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3cgm h GLU 42 Cb -0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3cgm h GLU 42 CO -0.05 0.63 -0.67 0.00 -0.73 0.00 0.00 179.01 178.19 3cgm h ALA 43 N 1.40 0.69 0.00 2.92 0.00 -0.69 -3.08 119.26 120.51 3cgm h ALA 43 Ca 0.09 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 3cgm h ALA 43 Cb 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3cgm h ALA 43 CO 0.03 0.84 -0.53 -0.07 0.00 0.00 0.00 179.25 179.51 3cgm h LEU 44 N 0.00 0.00 -9.46 0.00 3.38 -0.54 -3.45 115.31 105.24 3cgm h LEU 44 Ca -0.01 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 3cgm h LEU 44 Cb 1.35 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.16 3cgm h LEU 44 CO 0.09 0.53 0.68 1.21 0.09 0.00 0.00 178.44 181.04 3cgm n GLU 45 N -3.31 1.88 -0.25 1.13 4.07 -0.08 -1.58 120.64 122.49 3cgm n GLU 45 Ca 0.01 0.68 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 3cgm n GLU 45 Cb 0.70 -2.40 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 3cgm n GLU 45 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3cgm n GLY 46 N 3.04 2.10 3.80 8.31 0.00 -0.06 -4.95 105.19 117.43 3cgm n GLY 46 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3cgm n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cgm s ARG 47 N -0.14 4.05 0.19 1.61 0.52 -0.61 -4.52 118.95 120.05 3cgm s ARG 47 Ca 0.00 1.32 -0.08 0.00 -0.52 0.00 0.00 55.73 56.44 3cgm s ARG 47 Cb 0.00 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 3cgm s ARG 47 CO 0.00 -0.21 0.49 -1.83 0.02 0.00 0.00 175.30 173.77 3cgm s GLU 48 N -3.00 3.75 0.10 3.54 -1.05 -1.26 0.01 118.70 120.80 3cgm s GLU 48 Ca 0.63 0.17 -0.36 0.00 -0.15 0.00 0.00 54.97 55.26 3cgm s GLU 48 Cb -0.15 -2.73 -0.16 0.00 -0.44 0.00 0.00 34.13 30.65 3cgm s GLU 48 CO 0.20 0.38 1.43 -1.91 0.95 0.00 0.00 175.26 176.30 3cgm n GLU 49 N 0.02 1.49 0.00 -4.83 2.13 -1.12 -1.75 120.64 116.57 3cgm n GLU 49 Ca -0.01 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.35 3cgm n GLU 49 Cb 0.52 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3cgm n GLU 49 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cgm n GLY 50 N 2.86 1.82 3.78 8.31 0.00 0.50 -4.98 105.19 117.48 3cgm n GLY 50 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3cgm n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cgm s GLU 51 N -0.69 3.97 -0.08 1.61 2.02 -0.72 -4.74 118.70 120.08 3cgm s GLU 51 Ca 0.00 1.52 0.02 0.00 0.02 0.00 0.00 54.97 56.54 3cgm s GLU 51 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 34.13 31.86 3cgm s GLU 51 CO 0.00 -0.31 -0.14 0.00 0.02 0.00 0.00 175.26 174.83 3cgm s ALA 52 N -1.72 1.43 0.14 5.21 0.00 -1.26 -0.74 121.76 124.82 3cgm s ALA 52 Ca 0.62 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 3cgm s ALA 52 Cb -0.22 -0.64 0.02 0.00 0.00 0.00 0.00 23.12 22.28 3cgm s ALA 52 CO 0.27 0.10 0.38 -0.59 0.00 0.00 0.00 175.76 175.92 3cgm s PHE 53 N 0.69 -0.04 -0.11 0.00 -0.12 -0.01 -4.99 117.98 113.41 3cgm s PHE 53 Ca -0.14 -0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 56.39 3cgm s PHE 53 Cb -0.16 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 3cgm s PHE 53 CO 0.04 -0.73 0.06 -0.65 -0.05 0.00 0.00 175.22 173.89 3cgm s GLN 54 N -3.85 3.24 -0.15 1.99 -1.52 -1.26 -0.96 119.66 117.14 3cgm s GLN 54 Ca 0.07 -0.28 -0.00 0.00 -1.95 0.00 0.00 55.36 53.19 3cgm s GLN 54 Cb 0.02 -2.99 0.04 0.00 -0.22 0.00 0.00 33.01 29.86 3cgm s GLN 54 CO -0.08 0.71 -0.07 0.00 -0.25 0.00 0.00 175.29 175.60 3cgm s ALA 55 N -0.87 1.51 -0.54 6.09 0.00 -0.53 -4.99 121.76 122.43 3cgm s ALA 55 Ca 0.13 -0.79 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 3cgm s ALA 55 Cb -0.12 -1.07 0.04 0.00 0.00 0.00 0.00 23.12 21.97 3cgm s ALA 55 CO 0.03 -0.66 0.91 -1.58 0.00 0.00 0.00 175.76 174.46 3cgm s HIS 56 N 1.62 2.82 -0.36 0.00 2.46 -1.26 -1.62 115.29 118.95 3cgm s HIS 56 Ca 0.02 -0.06 -0.13 0.00 0.47 0.00 0.00 55.06 55.36 3cgm s HIS 56 Cb -0.14 -4.02 -0.00 0.00 -0.13 0.00 0.00 32.58 28.28 3cgm s HIS 56 CO -0.08 -1.31 0.25 0.08 -2.47 0.00 0.00 174.74 171.21 3cgm s VAL 57 N 3.81 5.21 0.74 0.89 1.01 0.18 -4.93 120.40 127.31 3cgm s VAL 57 Ca 0.29 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 3cgm s VAL 57 Cb -0.13 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3cgm s VAL 57 CO 0.19 -0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.10 3cgm s PRO 58 N 1.70 2.51 0.28 2.72 0.04 -1.26 -0.43 135.00 140.55 3cgm s PRO 58 Ca 0.05 1.03 0.01 0.00 0.04 0.00 0.00 61.00 62.14 3cgm s PRO 58 Cb -0.18 -1.94 0.57 0.00 0.04 0.00 0.00 34.50 33.00 3cgm s PRO 58 CO 0.10 -1.42 1.80 0.00 0.04 0.00 0.00 177.00 177.52 3cgm h ALA 59 N -0.96 1.47 0.00 8.56 0.00 -1.89 0.27 119.26 126.71 3cgm h ALA 59 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3cgm h ALA 59 Cb 1.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3cgm h ALA 59 CO 0.54 0.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 3cgm n GLU 60 N -4.72 0.16 0.00 0.00 0.00 -1.26 -1.26 120.64 113.56 3cgm n GLU 60 Ca 0.19 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.53 3cgm n GLU 60 Cb 0.41 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.35 3cgm n GLU 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3cgm n LYS 61 N -1.27 0.74 0.00 3.44 5.02 0.90 -4.81 118.16 122.18 3cgm n LYS 61 Ca 0.05 -0.88 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 3cgm n LYS 61 Cb 0.08 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3cgm n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cgm n ALA 62 N -0.20 0.00 -0.43 7.82 0.00 -0.39 -1.25 120.51 126.04 3cgm n ALA 62 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3cgm n ALA 62 Cb 0.14 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.92 3cgm n ALA 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cgm n TYR 63 N 0.00 1.10 -4.40 0.00 4.01 -1.19 -4.77 117.16 111.90 3cgm n TYR 63 Ca 0.00 -0.53 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 3cgm n TYR 63 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 3cgm n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cgm n GLY 64 N 1.48 -1.44 3.77 2.72 0.00 -0.64 -4.53 105.19 106.55 3cgm n GLY 64 Ca 0.25 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 3cgm n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cgm s PRO 65 N 0.00 3.82 -1.01 1.61 0.04 -1.26 -0.03 135.00 138.17 3cgm s PRO 65 Ca 0.00 1.83 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 3cgm s PRO 65 Cb 0.00 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 32.09 3cgm s PRO 65 CO 0.00 -0.51 1.49 -1.58 0.04 0.00 0.00 177.00 176.43 3cgm s HIS 66 N -1.49 2.48 -0.20 0.56 2.46 -1.26 -4.60 115.29 113.23 3cgm s HIS 66 Ca 0.62 -0.73 -0.29 0.00 0.47 0.00 0.00 55.06 55.13 3cgm s HIS 66 Cb -0.30 -4.65 -0.02 0.00 -0.13 0.00 0.00 32.58 27.48 3cgm s HIS 66 CO 0.37 -1.93 1.41 0.34 -2.47 0.00 0.00 174.74 172.47 3cgm s ASP 67 N 5.20 6.69 0.63 9.88 -1.08 -1.26 -4.90 116.67 131.83 3cgm s ASP 67 Ca 0.48 1.61 0.34 0.00 -0.52 0.00 0.00 52.55 54.46 3cgm s ASP 67 Cb -0.01 -2.54 1.91 0.00 -1.46 0.00 0.00 42.92 40.83 3cgm s ASP 67 CO -0.09 -1.00 2.17 1.55 0.52 0.00 0.00 175.17 178.32 3cgm h PRO 68 N 9.31 0.00 0.00 4.34 0.13 -1.98 0.16 132.00 143.96 3cgm h PRO 68 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3cgm h PRO 68 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cgm h PRO 68 CO 0.99 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.15 3cgm n GLU 69 N -3.42 0.03 0.00 0.86 1.02 -1.26 -2.34 120.64 115.53 3cgm n GLU 69 Ca -0.01 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 3cgm n GLU 69 Cb 0.23 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.28 3cgm n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cgm n GLY 70 N 1.20 -0.89 3.27 0.62 0.00 0.56 -4.62 105.19 105.32 3cgm n GLY 70 Ca 0.07 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 3cgm n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cgm s VAL 71 N -2.00 3.62 0.17 1.61 1.01 -0.99 -0.69 120.40 123.14 3cgm s VAL 71 Ca 0.06 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3cgm s VAL 71 Cb 0.03 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3cgm s VAL 71 CO 0.05 -0.08 -0.08 -1.10 0.00 0.00 0.00 175.10 173.90 3cgm s GLN 72 N 1.39 1.14 -0.19 2.72 -1.52 -0.03 -4.92 119.66 118.25 3cgm s GLN 72 Ca -0.01 -1.52 -0.11 0.00 -1.95 0.00 0.00 55.36 51.77 3cgm s GLN 72 Cb -0.19 -0.64 -0.05 0.00 -0.22 0.00 0.00 33.01 31.92 3cgm s GLN 72 CO 0.02 0.03 0.16 0.08 -0.25 0.00 0.00 175.29 175.33 3cgm s VAL 73 N -3.34 5.39 0.08 1.09 1.01 -1.26 -0.63 120.40 122.74 3cgm s VAL 73 Ca 0.20 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3cgm s VAL 73 Cb 0.03 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3cgm s VAL 73 CO 0.03 0.43 -0.09 0.68 0.00 0.00 0.00 175.10 176.15 3cgm s VAL 74 N 0.38 0.77 0.45 2.92 -7.23 0.22 -4.94 120.40 112.96 3cgm s VAL 74 Ca 0.10 -1.49 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 3cgm s VAL 74 Cb -0.11 -1.16 -0.08 0.00 0.56 0.00 0.00 36.38 35.59 3cgm s VAL 74 CO -0.01 -0.54 1.07 -2.16 -0.31 0.00 0.00 175.10 173.15 3cgm s PRO 75 N -2.53 3.92 0.30 4.82 0.04 -1.26 -0.88 135.00 139.41 3cgm s PRO 75 Ca 0.01 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.63 3cgm s PRO 75 Cb -0.04 -2.33 0.80 0.00 0.04 0.00 0.00 34.50 32.96 3cgm s PRO 75 CO -0.01 -0.36 1.72 1.25 0.04 0.00 0.00 177.00 179.64 3cgm h LEU 76 N 2.02 0.52 -0.57 -3.56 5.85 -0.52 -1.15 115.31 117.89 3cgm h LEU 76 Ca -0.49 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3cgm h LEU 76 Cb 1.23 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3cgm h LEU 76 CO 0.60 0.07 0.00 -1.54 -0.34 0.00 0.00 178.44 177.23 3cgm n SER 77 N -4.95 0.33 0.25 1.25 3.41 -1.26 -0.97 113.62 111.68 3cgm n SER 77 Ca 0.24 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.57 3cgm n SER 77 Cb 0.69 -0.67 0.64 0.00 -0.26 0.00 0.00 64.21 64.60 3cgm n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cgm h ALA 78 N 2.19 1.41 -2.33 7.33 0.00 -1.58 -3.44 119.26 122.84 3cgm h ALA 78 Ca 0.00 -0.14 -0.50 0.00 0.00 0.00 0.00 54.91 54.27 3cgm h ALA 78 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3cgm h ALA 78 CO 0.00 0.19 0.08 -0.06 0.00 0.00 0.00 179.25 179.46 3cgm s PHE 79 N -4.33 3.40 0.24 0.00 0.08 -0.14 -5.04 117.98 112.19 3cgm s PHE 79 Ca -0.03 1.14 -0.30 0.00 0.12 0.00 0.00 56.93 57.86 3cgm s PHE 79 Cb 0.14 -2.48 -0.15 0.00 -0.57 0.00 0.00 43.02 39.96 3cgm s PHE 79 CO 0.63 0.06 1.03 -2.30 -0.10 0.00 0.00 175.22 174.54 3cgm n PRO 80 N -0.57 1.18 0.19 0.24 -0.01 -1.26 -4.84 135.00 129.92 3cgm n PRO 80 Ca 0.03 0.42 0.13 0.00 -0.01 0.00 0.00 63.50 64.07 3cgm n PRO 80 Cb 0.53 -1.81 0.65 0.00 -0.01 0.00 0.00 33.50 32.86 3cgm n PRO 80 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 3cgm h GLU 81 N 2.47 0.00 -0.42 -0.52 4.11 -1.92 -1.79 114.58 116.51 3cgm h GLU 81 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 3cgm h GLU 81 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3cgm h GLU 81 CO 0.64 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.47 3cgm n ASP 82 N -2.44 4.21 -4.83 3.06 8.00 -1.26 -5.01 116.55 118.27 3cgm n ASP 82 Ca -0.00 -2.68 -0.33 0.00 0.71 0.00 0.00 54.79 52.49 3cgm n ASP 82 Cb 0.13 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 3cgm n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cgm s ALA 83 N -2.25 3.16 -0.58 2.24 0.00 -0.68 -4.99 121.76 118.67 3cgm s ALA 83 Ca 0.43 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 3cgm s ALA 83 Cb 0.31 -2.99 0.07 0.00 0.00 0.00 0.00 23.12 20.51 3cgm s ALA 83 CO 0.15 0.16 0.80 -2.00 0.00 0.00 0.00 175.76 174.88 3cgm s GLU 84 N -3.22 3.14 -0.44 0.00 2.12 -1.26 -4.98 118.70 114.06 3cgm s GLU 84 Ca 0.58 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.97 3cgm s GLU 84 Cb -0.10 -4.16 0.09 0.00 0.26 0.00 0.00 34.13 30.22 3cgm s GLU 84 CO 0.17 -1.51 0.31 0.08 -0.54 0.00 0.00 175.26 173.77 3cgm s VAL 85 N 3.31 4.43 0.04 3.70 1.01 -1.26 -4.91 120.40 126.72 3cgm s VAL 85 Ca 0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 3cgm s VAL 85 Cb -0.18 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3cgm s VAL 85 CO 0.12 -0.59 0.17 0.68 0.00 0.00 0.00 175.10 175.48 3cgm s VAL 86 N 1.45 0.11 0.08 2.92 -7.23 -1.26 -5.02 120.40 111.47 3cgm s VAL 86 Ca 0.04 -0.95 -0.37 0.00 -1.81 0.00 0.00 61.98 58.89 3cgm s VAL 86 Cb -0.24 -0.92 -0.17 0.00 0.56 0.00 0.00 36.38 35.61 3cgm s VAL 86 CO 0.02 -0.52 1.30 -2.65 -0.31 0.00 0.00 175.10 172.94 3cgm n PRO 87 N 0.68 1.03 0.00 4.82 -0.02 -1.26 -1.49 135.00 138.76 3cgm n PRO 87 Ca -0.19 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3cgm n PRO 87 Cb 0.59 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 3cgm n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cgm n GLY 88 N 2.38 2.49 3.77 -1.23 0.00 0.18 -5.00 105.19 107.79 3cgm n GLY 88 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3cgm n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgm s ALA 89 N -2.44 3.57 -0.06 4.61 0.00 -0.56 -4.69 121.76 122.19 3cgm s ALA 89 Ca 0.00 1.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.43 3cgm s ALA 89 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3cgm s ALA 89 CO 0.00 -0.95 0.08 -0.65 0.00 0.00 0.00 175.76 174.24 3cgm s GLN 90 N -1.84 3.16 0.12 0.00 -1.52 -1.26 -0.83 119.66 117.49 3cgm s GLN 90 Ca 0.53 -0.35 0.05 0.00 -1.95 0.00 0.00 55.36 53.64 3cgm s GLN 90 Cb -0.45 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 3cgm s GLN 90 CO 0.59 0.71 -0.13 -0.06 -0.25 0.00 0.00 175.29 176.15 3cgm s PHE 91 N -1.05 1.34 -0.33 0.91 0.40 0.59 -4.97 117.98 114.86 3cgm s PHE 91 Ca 0.18 -0.59 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3cgm s PHE 91 Cb -0.12 -0.70 0.10 0.00 0.51 0.00 0.00 43.02 42.82 3cgm s PHE 91 CO 0.07 0.12 0.07 0.71 0.70 0.00 0.00 175.22 176.90 3cgm s TYR 92 N -2.34 2.87 0.56 0.36 1.51 -1.26 0.55 117.35 119.59 3cgm s TYR 92 Ca 0.10 -2.47 0.04 0.00 -1.01 0.00 0.00 57.07 53.73 3cgm s TYR 92 Cb -0.04 -2.41 0.04 0.00 -0.11 0.00 0.00 41.96 39.45 3cgm s TYR 92 CO 0.02 -0.92 0.33 0.00 -1.11 0.00 0.00 175.55 173.88 3cgm s ALA 93 N 1.18 4.47 -0.13 3.71 0.00 -0.82 -4.93 121.76 125.24 3cgm s ALA 93 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3cgm s ALA 93 Cb -0.18 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.38 3cgm s ALA 93 CO -0.15 -0.38 -0.12 -1.14 0.00 0.00 0.00 175.76 173.97 3cgm s GLN 94 N -4.23 1.96 0.14 0.00 0.74 -1.26 0.89 119.66 117.91 3cgm s GLN 94 Ca 0.26 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 3cgm s GLN 94 Cb -0.02 -1.85 -0.07 0.00 1.10 0.00 0.00 33.01 32.17 3cgm s GLN 94 CO 0.16 -0.22 0.94 0.16 -0.55 0.00 0.00 175.29 175.78 3cgm s ASP 95 N 1.50 7.52 0.00 6.67 3.84 0.12 -4.80 116.67 131.52 3cgm s ASP 95 Ca 0.03 1.81 0.00 0.00 -0.00 0.00 0.00 52.55 54.39 3cgm s ASP 95 Cb -0.13 -2.58 0.00 0.00 -1.38 0.00 0.00 42.92 38.83 3cgm s ASP 95 CO -0.08 0.01 0.00 0.23 -0.00 0.00 0.00 175.17 175.33 3cgm n MET 96 N 2.39 0.00 0.24 2.11 2.81 -1.26 0.33 117.12 123.73 3cgm n MET 96 Ca 0.01 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 3cgm n MET 96 Cb 0.49 0.00 0.48 0.00 -0.71 0.00 0.00 33.22 33.48 3cgm n MET 96 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3cgm h GLU 97 N 0.00 0.00 0.00 0.03 4.11 -2.03 -3.47 114.58 113.22 3cgm h GLU 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3cgm h GLU 97 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cgm h GLU 97 CO 0.00 0.09 0.00 0.41 0.07 0.00 0.00 179.01 179.58 3cgm n GLY 98 N 0.34 1.30 3.70 1.06 0.00 0.98 -5.14 105.19 107.43 3cgm n GLY 98 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3cgm n GLY 98 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cgm s ASN 99 N -1.04 3.38 0.51 1.61 0.01 -1.20 -4.52 114.94 113.69 3cgm s ASN 99 Ca 0.00 1.90 -0.22 0.00 -0.71 0.00 0.00 52.86 53.82 3cgm s ASN 99 Cb 0.00 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 3cgm s ASN 99 CO 0.00 -2.76 1.21 -2.65 -1.51 0.00 0.00 177.10 171.39 3cgm n PRO 100 N -4.00 1.56 -3.01 -0.60 -0.02 -1.26 0.12 135.00 127.79 3cgm n PRO 100 Ca 0.09 0.57 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3cgm n PRO 100 Cb 0.53 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3cgm n PRO 100 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3cgm n MET 101 N -0.58 0.83 -1.80 -0.52 1.56 0.26 -4.52 117.12 112.35 3cgm n MET 101 Ca 0.10 -2.70 -0.38 0.00 -0.27 0.00 0.00 57.70 54.45 3cgm n MET 101 Cb 0.43 -1.36 0.05 0.00 2.15 0.00 0.00 33.22 34.49 3cgm n MET 101 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3cgm s PRO 102 N -0.79 2.97 0.04 2.12 0.02 -1.26 -1.95 135.00 136.16 3cgm s PRO 102 Ca 0.33 2.14 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 3cgm s PRO 102 Cb 0.24 -2.11 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 3cgm s PRO 102 CO -0.13 -1.29 0.09 -0.48 -0.33 0.00 0.00 177.00 174.86 3cgm s LEU 103 N -3.81 1.85 -0.08 -5.54 0.05 0.19 -4.63 118.68 106.72 3cgm s LEU 103 Ca 0.75 -0.59 0.02 0.00 0.05 0.00 0.00 54.13 54.37 3cgm s LEU 103 Cb -0.38 0.59 0.01 0.00 -2.05 0.00 0.00 46.19 44.36 3cgm s LEU 103 CO 0.44 -0.53 -0.14 -0.89 -0.55 0.00 0.00 176.35 174.67 3cgm s THR 104 N -2.83 1.30 -0.19 5.48 2.01 -0.52 -0.30 115.64 120.60 3cgm s THR 104 Ca -0.03 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 3cgm s THR 104 Cb 0.00 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 3cgm s THR 104 CO -0.06 0.40 1.10 -0.69 -0.69 0.00 0.00 174.62 174.68 3cgm s VAL 105 N 0.72 4.58 -0.05 3.82 1.01 -0.01 0.43 120.40 130.89 3cgm s VAL 105 Ca -0.13 1.89 0.17 0.00 0.00 0.00 0.00 61.98 63.92 3cgm s VAL 105 Cb -0.16 -4.22 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 3cgm s VAL 105 CO 0.03 -0.14 0.33 1.33 0.00 0.00 0.00 175.10 176.66 3cgm n VAL 106 N 5.19 0.21 -3.58 2.92 0.24 0.39 0.47 118.33 124.18 3cgm n VAL 106 Ca 0.12 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.34 61.79 3cgm n VAL 106 Cb 0.46 -0.03 -0.07 0.00 -1.47 0.00 0.00 33.84 32.74 3cgm n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cgm s ALA 107 N -3.09 -1.56 -0.05 2.33 0.00 -1.10 -4.69 121.76 113.60 3cgm s ALA 107 Ca -0.07 1.16 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 3cgm s ALA 107 Cb 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3cgm s ALA 107 CO 0.73 -0.34 0.03 0.08 0.00 0.00 0.00 175.76 176.25 3cgm s VAL 108 N -1.11 0.13 -0.37 0.00 1.01 -1.26 -0.48 120.40 118.31 3cgm s VAL 108 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3cgm s VAL 108 Cb -0.01 -0.31 0.13 0.00 0.00 0.00 0.00 36.38 36.18 3cgm s VAL 108 CO 0.08 0.20 0.20 -1.61 0.00 0.00 0.00 175.10 173.97 3cgm s GLU 109 N 1.83 0.76 7.82 2.72 0.41 0.14 -5.01 118.70 127.36 3cgm s GLU 109 Ca 0.01 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 3cgm s GLU 109 Cb -0.12 -1.68 0.00 0.00 -1.78 0.00 0.00 34.13 30.55 3cgm s GLU 109 CO -0.04 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 3cgm n GLY 110 N 4.08 3.38 0.35 -1.39 0.00 -1.26 -1.09 105.19 109.26 3cgm n GLY 110 Ca 0.08 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3cgm n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cgm n GLU 111 N 13.36 1.48 -3.60 1.61 -0.58 -1.26 -4.83 120.64 126.82 3cgm n GLU 111 Ca 0.00 -0.70 -0.38 0.00 -0.42 0.00 0.00 57.16 55.66 3cgm n GLU 111 Cb 0.00 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.29 3cgm n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3cgm s GLU 112 N -1.99 3.95 -0.18 3.49 2.02 -0.25 0.26 118.70 126.01 3cgm s GLU 112 Ca 0.40 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.07 3cgm s GLU 112 Cb 0.21 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.81 3cgm s GLU 112 CO 0.34 -0.15 -0.17 0.08 0.02 0.00 0.00 175.26 175.37 3cgm s VAL 113 N 1.68 2.37 -0.24 2.63 1.01 -0.06 0.26 120.40 128.05 3cgm s VAL 113 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 3cgm s VAL 113 Cb -0.16 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3cgm s VAL 113 CO 0.10 0.52 0.65 -0.89 0.00 0.00 0.00 175.10 175.48 3cgm s THR 114 N 1.16 4.98 -0.04 3.92 2.01 0.36 -0.61 115.64 127.42 3cgm s THR 114 Ca 0.01 1.20 0.07 0.00 0.31 0.00 0.00 61.69 63.28 3cgm s THR 114 Cb -0.14 -3.96 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 3cgm s THR 114 CO -0.07 0.04 -0.25 -0.69 -0.69 0.00 0.00 174.62 172.96 3cgm s VAL 115 N 2.38 1.98 -0.39 3.82 1.01 0.20 -0.46 120.40 128.96 3cgm s VAL 115 Ca 0.28 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 3cgm s VAL 115 Cb -0.16 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3cgm s VAL 115 CO 0.09 0.56 0.33 -0.62 0.00 0.00 0.00 175.10 175.46 3cgm s ASP 116 N -0.34 6.13 0.00 3.32 2.15 0.17 -0.86 116.67 127.25 3cgm s ASP 116 Ca 0.02 -0.63 0.31 0.00 0.43 0.00 0.00 52.55 52.68 3cgm s ASP 116 Cb -0.12 -2.18 1.59 0.00 -0.30 0.00 0.00 42.92 41.92 3cgm s ASP 116 CO 0.02 -0.42 2.06 0.49 -0.17 0.00 0.00 175.17 177.14 3cgm n PHE 117 N 5.30 0.00 -2.22 -5.34 3.01 0.14 -1.44 117.46 116.90 3cgm n PHE 117 Ca -0.10 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.00 3cgm n PHE 117 Cb 0.48 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 3cgm n PHE 117 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3cgm s ASN 118 N -2.07 5.88 0.35 4.37 0.01 -1.26 -4.84 114.94 117.38 3cgm s ASN 118 Ca 0.43 2.28 -0.29 0.00 -0.71 0.00 0.00 52.86 54.57 3cgm s ASN 118 Cb 0.21 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 39.17 3cgm s ASN 118 CO 0.38 -1.11 1.50 1.57 -1.51 0.00 0.00 177.10 177.92 3cgm n HIS 119 N -0.92 2.91 -0.13 2.20 -0.00 -1.26 -4.80 115.22 113.23 3cgm n HIS 119 Ca 0.10 0.41 0.23 0.00 -0.00 0.00 0.00 57.72 58.46 3cgm n HIS 119 Cb 0.49 -2.54 0.67 0.00 -0.00 0.00 0.00 29.99 28.61 3cgm n HIS 119 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3cgm h PRO 120 N 3.38 0.09 -0.26 1.57 0.11 -1.93 0.53 132.00 135.48 3cgm h PRO 120 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3cgm h PRO 120 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3cgm h PRO 120 CO 0.68 0.06 0.00 1.28 -0.21 0.00 0.00 178.00 179.80 3cgm n LEU 121 N -4.36 2.01 -4.67 2.35 4.77 -1.26 -4.93 117.00 110.91 3cgm n LEU 121 Ca 0.15 -0.90 -0.46 0.00 -0.03 0.00 0.00 56.01 54.77 3cgm n LEU 121 Cb 0.78 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3cgm n LEU 121 CO 0.37 0.45 1.29 0.00 -1.33 0.00 0.00 177.39 178.16 3cgm n ALA 122 N 0.56 1.26 -0.99 -1.18 0.00 0.18 -1.25 120.51 119.08 3cgm n ALA 122 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3cgm n ALA 122 Cb 0.36 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3cgm n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgm n GLY 123 N 3.72 0.49 3.90 0.00 0.00 0.96 -4.52 105.19 109.74 3cgm n GLY 123 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3cgm n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cgm s LYS 124 N -0.24 3.42 0.01 1.61 -0.14 -0.38 -4.86 119.74 119.16 3cgm s LYS 124 Ca 0.00 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.16 3cgm s LYS 124 Cb 0.00 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 3cgm s LYS 124 CO 0.00 0.67 0.36 -0.51 -0.76 0.00 0.00 175.35 175.12 3cgm s ASP 125 N -1.95 6.69 -0.07 2.83 1.01 -1.26 -3.47 116.67 120.44 3cgm s ASP 125 Ca 0.27 0.82 0.04 0.00 0.71 0.00 0.00 52.55 54.39 3cgm s ASP 125 Cb -0.13 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 3cgm s ASP 125 CO 0.19 0.28 -0.18 -0.76 0.21 0.00 0.00 175.17 174.91 3cgm s LEU 126 N -1.38 2.46 -0.23 1.23 1.43 0.42 -4.52 118.68 118.10 3cgm s LEU 126 Ca 0.26 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3cgm s LEU 126 Cb -0.15 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3cgm s LEU 126 CO 0.14 0.26 -0.06 -1.81 0.23 0.00 0.00 176.35 175.12 3cgm s ASP 127 N -0.25 4.24 -0.08 2.29 1.01 -0.36 0.47 116.67 123.99 3cgm s ASP 127 Ca 0.00 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.68 3cgm s ASP 127 Cb -0.13 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 3cgm s ASP 127 CO 0.03 -0.06 -0.07 -0.36 0.21 0.00 0.00 175.17 174.92 3cgm s PHE 128 N 1.41 2.94 -0.23 4.23 0.08 -0.64 0.16 117.98 125.94 3cgm s PHE 128 Ca 0.04 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 3cgm s PHE 128 Cb -0.15 -1.74 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3cgm s PHE 128 CO -0.04 0.28 0.08 -1.14 -0.10 0.00 0.00 175.22 174.30 3cgm s GLN 129 N -0.67 3.77 -0.02 0.44 2.00 0.32 -1.46 119.66 124.05 3cgm s GLN 129 Ca 0.10 -0.43 0.05 0.00 -2.00 0.00 0.00 55.36 53.08 3cgm s GLN 129 Cb -0.11 -3.31 -0.01 0.00 0.80 0.00 0.00 33.01 30.37 3cgm s GLN 129 CO 0.02 -0.05 -0.16 0.08 -0.50 0.00 0.00 175.29 174.68 3cgm s VAL 130 N 1.25 1.30 -0.14 1.34 1.01 -0.13 -0.77 120.40 124.25 3cgm s VAL 130 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3cgm s VAL 130 Cb -0.14 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 3cgm s VAL 130 CO 0.04 0.37 -0.15 -0.70 0.00 0.00 0.00 175.10 174.65 3cgm s GLU 131 N -0.24 3.25 -0.58 2.72 2.12 0.12 -0.83 118.70 125.26 3cgm s GLU 131 Ca 0.03 -0.74 -0.27 0.00 0.36 0.00 0.00 54.97 54.35 3cgm s GLU 131 Cb -0.08 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.75 3cgm s GLU 131 CO 0.00 0.09 1.12 0.08 -0.54 0.00 0.00 175.26 176.01 3cgm s VAL 132 N 0.64 4.12 -0.07 3.70 1.01 0.09 -2.00 120.40 127.88 3cgm s VAL 132 Ca -0.08 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3cgm s VAL 132 Cb -0.16 -4.68 -0.29 0.00 0.00 0.00 0.00 36.38 31.25 3cgm s VAL 132 CO 0.03 -1.30 0.60 0.58 0.00 0.00 0.00 175.10 175.00 3cgm h VAL 133 N 6.10 0.91 -2.71 2.92 2.07 -1.19 0.14 116.25 124.50 3cgm h VAL 133 Ca -0.26 -2.46 -0.12 0.00 0.82 0.00 0.00 66.70 64.69 3cgm h VAL 133 Cb 1.06 2.72 -0.24 0.00 -1.52 0.00 0.00 31.29 33.31 3cgm h VAL 133 CO 1.16 0.83 -0.23 -0.75 0.02 0.00 0.00 177.57 178.60 3cgm s LYS 134 N -2.55 0.48 -0.07 1.57 2.20 -1.10 -4.73 119.74 115.54 3cgm s LYS 134 Ca -0.18 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 3cgm s LYS 134 Cb 0.05 0.21 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 3cgm s LYS 134 CO 0.82 -0.07 -0.11 0.08 -0.36 0.00 0.00 175.35 175.71 3cgm s VAL 135 N 0.36 1.09 0.20 4.02 1.01 -1.26 -0.58 120.40 125.23 3cgm s VAL 135 Ca -0.01 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3cgm s VAL 135 Cb -0.04 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3cgm s VAL 135 CO -0.01 0.35 0.22 0.00 0.00 0.00 0.00 175.10 175.66 3cgm s ARG 136 N 0.86 1.23 0.55 2.72 1.70 -0.80 -4.59 118.95 120.63 3cgm s ARG 136 Ca -0.11 -1.45 -0.12 0.00 -0.47 0.00 0.00 55.73 53.58 3cgm s ARG 136 Cb -0.15 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 3cgm s ARG 136 CO 0.01 -0.43 0.96 -1.21 -1.08 0.00 0.00 175.30 173.55 3cgm s GLU 137 N -4.08 3.72 0.41 3.89 2.02 -1.26 -0.79 118.70 122.61 3cgm s GLU 137 Ca 0.30 0.71 -0.12 0.00 0.02 0.00 0.00 54.97 55.88 3cgm s GLU 137 Cb 0.05 -2.17 -0.07 0.00 0.10 0.00 0.00 34.13 32.04 3cgm s GLU 137 CO 0.08 -0.38 0.81 0.00 0.02 0.00 0.00 175.26 175.79 3cgm s ALA 138 N -2.87 3.29 0.77 5.21 0.00 -1.17 -4.64 121.76 122.35 3cgm s ALA 138 Ca 0.55 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.31 3cgm s ALA 138 Cb -0.11 -2.80 0.05 0.00 0.00 0.00 0.00 23.12 20.27 3cgm s ALA 138 CO 0.44 0.01 1.10 0.95 0.00 0.00 0.00 175.76 178.26 3cgm s THR 139 N -2.35 3.08 0.34 0.00 -4.23 -1.26 -4.90 115.64 106.32 3cgm s THR 139 Ca 0.53 0.35 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 3cgm s THR 139 Cb -0.10 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.80 3cgm s THR 139 CO 0.29 -0.46 2.00 -0.65 -0.54 0.00 0.00 174.62 175.25 3cgm h PRO 140 N -0.96 0.88 -0.43 3.99 0.11 -1.99 -2.02 132.00 131.59 3cgm h PRO 140 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3cgm h PRO 140 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3cgm h PRO 140 CO 0.61 0.58 0.15 1.49 -0.21 0.00 0.00 178.00 180.63 3cgm h GLU 141 N 0.91 0.65 -0.60 1.05 4.81 -1.98 0.15 114.58 119.57 3cgm h GLU 141 Ca 0.26 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3cgm h GLU 141 Cb -0.07 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 3cgm h GLU 141 CO -0.06 0.62 0.39 0.93 -0.73 0.00 0.00 179.01 180.16 3cgm h GLU 142 N 0.55 0.79 -0.53 1.92 5.08 -1.74 -0.63 114.58 120.02 3cgm h GLU 142 Ca 0.14 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3cgm h GLU 142 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3cgm h GLU 142 CO -0.01 0.53 0.22 -0.07 -1.00 0.00 0.00 179.01 178.69 3cgm h LEU 143 N 0.81 0.72 -1.35 1.33 3.38 -1.17 -0.88 115.31 118.15 3cgm h LEU 143 Ca 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3cgm h LEU 143 Cb -0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3cgm h LEU 143 CO -0.05 0.68 0.24 0.25 0.09 0.00 0.00 178.44 179.66 3cgm h LEU 144 N 0.71 0.62 0.00 1.67 5.85 -0.05 -2.95 115.31 121.15 3cgm h LEU 144 Ca 0.18 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3cgm h LEU 144 Cb 0.18 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3cgm h LEU 144 CO -0.02 0.52 -0.80 0.45 -0.34 0.00 0.00 178.44 178.25 3cgm h HIS 145 N 0.69 0.00 0.00 1.25 3.86 -0.89 -3.48 115.15 116.59 3cgm h HIS 145 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3cgm h HIS 145 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3cgm h HIS 145 CO 0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.21 3cgm n GLY 146 N 1.28 0.45 3.73 2.45 0.00 -0.38 -5.03 105.19 107.70 3cgm n GLY 146 Ca 0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 3cgm n GLY 146 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3cgm s HIS 147 N -2.00 -0.16 0.41 1.61 -3.43 -0.94 -4.84 115.29 105.94 3cgm s HIS 147 Ca 0.00 -0.24 -0.23 0.00 -0.80 0.00 0.00 55.06 53.79 3cgm s HIS 147 Cb 0.00 0.59 -0.09 0.00 -1.43 0.00 0.00 32.58 31.65 3cgm s HIS 147 CO 0.00 -1.12 1.02 0.00 -2.00 0.00 0.00 174.74 172.64 3cgm s ALA 148 N -3.90 3.07 0.12 -1.38 0.00 -1.26 -4.47 121.76 113.93 3cgm s ALA 148 Ca 0.11 0.63 0.11 0.00 0.00 0.00 0.00 51.96 52.80 3cgm s ALA 148 Cb -0.04 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3cgm s ALA 148 CO 0.03 -0.13 -0.26 -1.01 0.00 0.00 0.00 175.76 174.39 3cgm s HIS 149 N -1.76 2.33 0.10 0.00 4.02 -1.26 -4.98 115.29 113.73 3cgm s HIS 149 Ca 0.59 -0.37 -0.02 0.00 1.02 0.00 0.00 55.06 56.28 3cgm s HIS 149 Cb -0.19 -1.27 -0.23 0.00 -1.02 0.00 0.00 32.58 29.87 3cgm s HIS 149 CO 0.24 0.33 1.20 -1.00 1.02 0.00 0.00 174.74 176.52 3cgm h PRO 150 N 3.95 0.23 0.00 8.40 0.13 -1.99 -3.50 132.00 139.22 3cgm h PRO 150 Ca -0.51 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 3cgm h PRO 150 Cb 1.17 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3cgm h PRO 150 CO 0.40 1.15 0.00 0.45 -0.23 0.00 0.00 178.00 179.77 3cgm n SER 151 N -3.53 0.00 -4.17 1.44 2.88 -1.26 -5.09 113.62 103.89 3cgm n SER 151 Ca -0.07 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.04 3cgm n SER 151 Cb 0.98 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.43 3cgm n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cgm n GLY 152 N 0.00 4.60 2.77 0.46 0.00 -1.26 -4.93 105.19 106.83 3cgm n GLY 152 Ca 0.00 -2.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.09 3cgm n GLY 152 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cgm s HIS 153 N -1.92 2.01 0.10 1.61 5.04 -1.26 -5.12 115.29 115.75 3cgm s HIS 153 Ca 0.31 -1.99 -0.31 0.00 -1.54 0.00 0.00 55.06 51.53 3cgm s HIS 153 Cb -0.03 -1.90 -0.08 0.00 0.04 0.00 0.00 32.58 30.61 3cgm s HIS 153 CO -0.01 -0.87 1.44 -1.58 -2.34 0.00 0.00 174.74 171.38 3cgm s HIS 154 N 1.35 3.08 0.33 3.88 2.46 -1.26 -4.99 115.29 120.14 3cgm s HIS 154 Ca 0.11 0.82 -0.13 0.00 0.47 0.00 0.00 55.06 56.33 3cgm s HIS 154 Cb -0.18 -3.74 0.02 0.00 -0.13 0.00 0.00 32.58 28.55 3cgm s HIS 154 CO -0.19 -2.69 0.64 -3.38 -2.47 0.00 0.00 174.74 166.65 3cgm s HIS 155 N 1.45 0.31 0.29 3.88 -0.00 -1.26 -5.19 115.29 114.78 3cgm s HIS 155 Ca 0.66 -0.79 0.04 0.00 -0.00 0.00 0.00 55.06 54.98 3cgm s HIS 155 Cb -0.37 0.48 -0.06 0.00 -0.00 0.00 0.00 32.58 32.63 3cgm s HIS 155 CO 0.30 -1.29 0.01 -1.01 -0.00 0.00 0.00 174.74 172.75 3cgm s HIS 156 N -3.14 1.87 -0.25 0.38 3.76 -1.26 -5.13 115.29 111.53 3cgm s HIS 156 Ca 0.19 -0.88 0.02 0.00 -0.15 0.00 0.00 55.06 54.24 3cgm s HIS 156 Cb -0.03 -1.16 0.02 0.00 1.11 0.00 0.00 32.58 32.52 3cgm s HIS 156 CO 0.12 0.07 0.56 0.72 -0.85 0.00 0.00 174.74 175.37