#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghb s SER 2 N 0.00 6.84 0.39 1.08 0.15 -1.26 -4.94 113.70 115.96 3ghb s SER 2 Ca 0.00 1.03 0.20 0.00 0.70 0.00 0.00 55.95 57.87 3ghb s SER 2 Cb 0.00 -2.40 1.15 0.00 -1.71 0.00 0.00 66.02 63.06 3ghb s SER 2 CO 0.00 -0.27 1.73 0.58 1.20 0.00 0.00 173.24 176.47 3ghb h VAL 3 N 5.08 0.42 -4.02 4.45 2.07 -1.95 -3.38 116.25 118.93 3ghb h VAL 3 Ca -0.33 -0.12 -0.69 0.00 0.82 0.00 0.00 66.70 66.39 3ghb h VAL 3 Cb 1.15 0.05 -0.23 0.00 -1.52 0.00 0.00 31.29 30.75 3ghb h VAL 3 CO 0.79 0.06 -0.79 -0.76 0.02 0.00 0.00 177.57 176.89 3ghb s LEU 4 N -9.73 2.64 -0.18 2.57 1.43 -0.94 -4.81 118.68 109.66 3ghb s LEU 4 Ca -0.09 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3ghb s LEU 4 Cb 0.27 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3ghb s LEU 4 CO 0.80 0.29 0.01 -0.89 0.23 0.00 0.00 176.35 176.79 3ghb s THR 5 N -0.84 4.22 0.07 5.49 2.01 -0.26 -3.13 115.64 123.20 3ghb s THR 5 Ca 0.13 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.93 3ghb s THR 5 Cb -0.11 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 3ghb s THR 5 CO 0.03 0.46 -0.10 -1.10 -0.69 0.00 0.00 174.62 173.22 3ghb s GLN 6 N 0.58 0.74 0.37 4.92 -0.21 -1.26 -0.85 119.66 123.94 3ghb s GLN 6 Ca -0.00 -1.00 -0.27 0.00 0.02 0.00 0.00 55.36 54.11 3ghb s GLN 6 Cb -0.14 -0.49 -0.09 0.00 1.00 0.00 0.00 33.01 33.29 3ghb s GLN 6 CO 0.02 0.08 1.30 -1.25 -2.12 0.00 0.00 175.29 173.33 3ghb s PRO 7 N -2.27 4.14 0.23 2.91 0.04 -1.26 -4.84 135.00 133.96 3ghb s PRO 7 Ca -0.01 2.17 -0.07 0.00 0.04 0.00 0.00 61.00 63.13 3ghb s PRO 7 Cb -0.06 -2.89 0.39 0.00 0.04 0.00 0.00 34.50 31.98 3ghb s PRO 7 CO 0.00 -0.35 1.68 -1.35 0.04 0.00 0.00 177.00 177.02 3ghb h PRO 8 N 2.99 0.21 0.00 0.56 0.11 -1.98 -3.38 132.00 130.51 3ghb h PRO 8 Ca -0.49 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.39 3ghb h PRO 8 Cb 1.24 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3ghb h PRO 8 CO 0.64 0.14 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.40 3ghb n SER 9 N -5.19 -1.59 -3.60 -2.05 3.41 -1.26 -1.51 113.62 101.82 3ghb n SER 9 Ca 0.12 -2.82 -0.06 0.00 -0.26 0.00 0.00 58.87 55.85 3ghb n SER 9 Cb 0.41 2.86 -0.04 0.00 -0.26 0.00 0.00 64.21 67.17 3ghb n SER 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ghb s VAL 11 N -2.64 0.00 0.16 -3.33 0.11 -0.74 -4.86 120.40 109.10 3ghb s VAL 11 Ca 0.26 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 3ghb s VAL 11 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 3ghb s VAL 11 CO 0.19 0.00 0.22 -0.94 -3.33 0.00 0.00 175.10 171.23 3ghb s SER 12 N -1.22 0.12 0.00 3.54 1.04 -1.26 -1.28 113.70 114.64 3ghb s SER 12 Ca 0.04 -1.00 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 3ghb s SER 12 Cb -0.01 0.40 0.10 0.00 0.10 0.00 0.00 66.02 66.61 3ghb s SER 12 CO -0.03 -0.86 1.02 0.00 0.98 0.00 0.00 173.24 174.35 3ghb s ALA 13 N -4.01 -1.88 0.51 5.32 0.00 -1.03 -4.97 121.76 115.70 3ghb s ALA 13 Ca 0.21 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 3ghb s ALA 13 Cb 0.05 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 3ghb s ALA 13 CO 0.02 -0.82 0.81 0.00 0.00 0.00 0.00 175.76 175.77 3ghb s ALA 14 N -2.95 3.40 0.37 0.00 0.00 -1.26 -1.56 121.76 119.77 3ghb s ALA 14 Ca 0.09 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 3ghb s ALA 14 Cb -0.00 -2.55 -0.11 0.00 0.00 0.00 0.00 23.12 20.45 3ghb s ALA 14 CO -0.04 -0.49 1.36 -2.30 0.00 0.00 0.00 175.76 174.29 3ghb n PRO 15 N -2.34 2.31 0.00 0.00 -0.02 -1.26 -1.76 135.00 131.93 3ghb n PRO 15 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3ghb n PRO 15 Cb 0.56 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3ghb n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghb n GLY 16 N 0.65 2.98 1.35 -1.23 0.00 0.16 -4.89 105.19 104.21 3ghb n GLY 16 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3ghb n GLY 16 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ghb n GLN 17 N -2.00 -0.01 -4.25 1.61 6.02 -0.72 -4.03 117.38 114.00 3ghb n GLN 17 Ca 0.00 -0.84 -0.15 0.00 -0.01 0.00 0.00 57.00 56.00 3ghb n GLN 17 Cb 0.00 -0.34 -0.10 0.00 1.02 0.00 0.00 30.24 30.81 3ghb n GLN 17 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3ghb s LYS 18 N -3.64 1.06 0.24 -1.09 -2.85 -1.26 -1.10 119.74 111.10 3ghb s LYS 18 Ca 0.24 -1.40 -0.07 0.00 -1.00 0.00 0.00 55.97 53.75 3ghb s LYS 18 Cb -0.01 -0.71 -0.02 0.00 -2.06 0.00 0.00 37.83 35.04 3ghb s LYS 18 CO 0.17 0.10 0.33 0.14 0.10 0.00 0.00 175.35 176.19 3ghb s VAL 19 N -3.02 0.00 0.02 1.79 -7.23 -0.63 -4.98 120.40 106.35 3ghb s VAL 19 Ca 0.15 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3ghb s VAL 19 Cb 0.01 -2.37 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 3ghb s VAL 19 CO 0.01 0.00 0.00 0.42 -0.31 0.00 0.00 175.10 175.23 3ghb s THR 20 N -3.97 0.10 -0.10 5.32 -4.23 -1.26 -2.04 115.64 109.46 3ghb s THR 20 Ca 0.30 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3ghb s THR 20 Cb 0.02 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.61 3ghb s THR 20 CO 0.12 -0.47 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.05 3ghb s ILE 21 N -1.41 0.79 0.54 2.99 1.01 0.32 -4.95 121.20 120.48 3ghb s ILE 21 Ca -0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3ghb s ILE 21 Cb -0.09 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 3ghb s ILE 21 CO -0.01 0.31 0.87 -0.94 0.00 0.00 0.00 174.94 175.18 3ghb s SER 22 N 1.80 6.02 -0.25 3.58 1.04 -1.26 -0.72 113.70 123.91 3ghb s SER 22 Ca 0.05 0.95 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 3ghb s SER 22 Cb -0.13 -2.11 0.12 0.00 0.10 0.00 0.00 66.02 64.01 3ghb s SER 22 CO -0.07 -0.80 0.29 0.00 0.98 0.00 0.00 173.24 173.63 3ghb s SER 24 N 2.38 6.70 0.00 0.00 0.01 -0.03 -0.48 113.70 122.28 3ghb s SER 24 Ca 0.09 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.18 3ghb s SER 24 Cb -0.15 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3ghb s SER 24 CO -0.23 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.18 3ghb n GLY 25 N 2.67 5.41 0.00 3.44 0.00 -0.56 -1.10 105.19 115.05 3ghb n GLY 25 Ca -0.11 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3ghb n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ghb n SER 26 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.87 113.62 112.51 3ghb n SER 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3ghb n SER 26 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3ghb n SER 26 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ghb n SER 27 N 0.00 0.00 0.00 4.04 2.88 -1.26 -0.76 113.62 118.52 3ghb n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3ghb n SER 27 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3ghb n SER 27 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3ghb n ASN 27 N 0.00 0.00 -0.28 -3.46 0.23 -1.26 -2.22 115.26 108.26 3ghb n ASN 27 Ca 0.00 0.00 0.21 0.00 -0.53 0.00 0.00 54.58 54.26 3ghb n ASN 27 Cb 0.00 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.21 3ghb n ASN 27 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3ghb h ILE 28 N 0.00 0.61 -0.12 1.53 2.04 -1.81 -0.97 117.51 118.78 3ghb h ILE 28 Ca 0.00 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3ghb h ILE 28 Cb 0.00 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3ghb h ILE 28 CO 0.00 0.07 -0.26 1.23 0.00 0.00 0.00 178.15 179.20 3ghb h GLY 29 N 0.40 -1.43 -2.53 5.37 0.00 -1.09 -3.14 103.07 100.65 3ghb h GLY 29 Ca 0.53 0.73 0.00 0.00 0.00 0.00 0.00 47.33 48.58 3ghb h GLY 29 CO -0.22 -0.43 0.00 0.70 0.00 0.00 0.00 176.54 176.59 3ghb n ASN 30 N -3.92 3.75 -4.41 0.19 3.02 -1.04 -4.86 115.26 107.99 3ghb n ASN 30 Ca -0.02 -2.00 -0.20 0.00 -0.03 0.00 0.00 54.58 52.33 3ghb n ASN 30 Cb 0.17 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 3ghb n ASN 30 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ghb s ASN 31 N -1.20 2.07 0.20 6.41 0.01 -0.40 -5.07 114.94 116.96 3ghb s ASN 31 Ca 0.44 -1.39 -0.25 0.00 -0.71 0.00 0.00 52.86 50.96 3ghb s ASN 31 Cb 0.24 -0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.81 3ghb s ASN 31 CO 0.33 -0.65 0.81 -0.31 -1.51 0.00 0.00 177.10 175.77 3ghb s TYR 32 N -3.42 3.86 0.09 2.20 1.51 -1.26 -4.67 117.35 115.67 3ghb s TYR 32 Ca 0.37 1.66 -0.07 0.00 -1.01 0.00 0.00 57.07 58.01 3ghb s TYR 32 Cb 0.08 -2.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.08 3ghb s TYR 32 CO 0.15 0.45 0.36 0.08 -1.11 0.00 0.00 175.55 175.49 3ghb s VAL 33 N -1.25 5.16 0.13 0.71 1.01 -1.26 -4.57 120.40 120.33 3ghb s VAL 33 Ca 0.39 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.71 3ghb s VAL 33 Cb -0.22 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3ghb s VAL 33 CO 0.26 0.21 -0.22 -0.76 0.00 0.00 0.00 175.10 174.59 3ghb s LEU 34 N -2.15 2.35 -0.05 3.92 1.43 0.63 -1.71 118.68 123.10 3ghb s LEU 34 Ca 0.35 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3ghb s LEU 34 Cb -0.13 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3ghb s LEU 34 CO 0.20 0.08 -0.07 0.26 0.23 0.00 0.00 176.35 177.05 3ghb s TRP 35 N -1.38 0.99 0.07 0.29 0.52 -0.03 -1.19 118.94 118.22 3ghb s TRP 35 Ca 0.12 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 56.02 3ghb s TRP 35 Cb -0.09 -0.79 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 3ghb s TRP 35 CO 0.06 -0.21 -0.24 0.71 0.02 0.00 0.00 176.95 177.28 3ghb s TYR 36 N 0.77 2.38 0.02 -1.98 2.02 -0.35 -0.02 117.35 120.19 3ghb s TYR 36 Ca -0.12 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 3ghb s TYR 36 Cb -0.15 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.01 3ghb s TYR 36 CO 0.02 0.22 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.99 3ghb s GLN 37 N -1.54 2.42 -0.16 -0.62 0.74 0.72 -2.01 119.66 119.22 3ghb s GLN 37 Ca 0.13 -0.80 -0.07 0.00 0.05 0.00 0.00 55.36 54.67 3ghb s GLN 37 Cb -0.10 -2.43 0.07 0.00 1.10 0.00 0.00 33.01 31.65 3ghb s GLN 37 CO 0.04 0.58 0.35 -1.14 -0.55 0.00 0.00 175.29 174.57 3ghb s GLN 38 N -1.54 0.28 0.45 1.67 0.74 -0.43 0.79 119.66 121.62 3ghb s GLN 38 Ca 0.17 0.82 -0.00 0.00 0.05 0.00 0.00 55.36 56.40 3ghb s GLN 38 Cb -0.11 0.07 -0.01 0.00 1.10 0.00 0.00 33.01 34.07 3ghb s GLN 38 CO 0.08 -0.22 0.68 -0.06 -0.55 0.00 0.00 175.29 175.22 3ghb s PHE 39 N 2.05 3.27 0.24 1.67 0.08 -1.26 -2.10 117.98 121.92 3ghb s PHE 39 Ca -0.04 0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.99 3ghb s PHE 39 Cb -0.11 -2.29 -0.13 0.00 -0.57 0.00 0.00 43.02 39.92 3ghb s PHE 39 CO -0.11 -0.33 1.56 -2.30 -0.10 0.00 0.00 175.22 173.94 3ghb n PRO 40 N -2.09 2.42 -1.79 0.24 -0.02 -1.26 -2.12 135.00 130.38 3ghb n PRO 40 Ca 0.01 0.87 -0.21 0.00 -2.02 0.00 0.00 63.50 62.14 3ghb n PRO 40 Cb 0.57 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 3ghb n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghb n GLY 41 N 2.70 1.43 3.27 -1.23 0.00 -1.26 -4.97 105.19 105.12 3ghb n GLY 41 Ca 0.12 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3ghb n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ghb s THR 42 N -2.84 1.65 0.50 2.61 2.01 -0.90 -5.13 115.64 113.55 3ghb s THR 42 Ca 0.00 -1.42 -0.22 0.00 0.31 0.00 0.00 61.69 60.36 3ghb s THR 42 Cb 0.00 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.96 3ghb s THR 42 CO 0.00 0.01 1.24 0.00 -0.69 0.00 0.00 174.62 175.18 3ghb s ALA 43 N -1.05 2.88 0.34 7.40 0.00 -1.26 -4.48 121.76 125.59 3ghb s ALA 43 Ca 0.06 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 3ghb s ALA 43 Cb -0.10 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 3ghb s ALA 43 CO 0.03 -0.96 1.50 -2.30 0.00 0.00 0.00 175.76 174.03 3ghb n PRO 44 N -0.77 2.60 -4.76 0.00 -0.02 -1.26 -4.72 135.00 126.07 3ghb n PRO 44 Ca 0.09 0.92 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3ghb n PRO 44 Cb 0.47 -2.64 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 3ghb n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ghb s LYS 45 N -1.51 3.34 -0.04 -0.52 2.20 0.24 -4.92 119.74 118.53 3ghb s LYS 45 Ca 0.57 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3ghb s LYS 45 Cb -0.50 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 3ghb s LYS 45 CO 0.58 0.25 1.53 -1.17 -0.36 0.00 0.00 175.35 176.18 3ghb s LEU 46 N 0.27 4.30 -0.16 5.43 2.96 -1.26 -0.20 118.68 130.02 3ghb s LEU 46 Ca -0.09 2.15 0.11 0.00 -0.22 0.00 0.00 54.13 56.08 3ghb s LEU 46 Cb -0.15 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.82 3ghb s LEU 46 CO 0.05 -0.84 -0.00 0.18 -1.32 0.00 0.00 176.35 174.41 3ghb n LEU 47 N 6.41 0.76 -3.69 -0.68 4.77 0.97 -4.80 117.00 120.74 3ghb n LEU 47 Ca 0.15 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3ghb n LEU 47 Cb 0.43 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.54 3ghb n LEU 47 CO 0.60 0.49 0.19 -0.63 -1.33 0.00 0.00 177.39 176.72 3ghb s ILE 48 N -2.38 -0.00 0.33 -0.08 1.01 -1.00 -4.21 121.20 114.88 3ghb s ILE 48 Ca -0.12 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3ghb s ILE 48 Cb 0.05 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 3ghb s ILE 48 CO 0.58 0.00 0.12 -0.72 0.00 0.00 0.00 174.94 174.92 3ghb s TYR 49 N 0.48 1.73 -1.51 3.97 1.13 -0.44 -0.85 117.35 121.87 3ghb s TYR 49 Ca -0.02 -1.21 -0.14 0.00 -1.41 0.00 0.00 57.07 54.29 3ghb s TYR 49 Cb -0.04 -1.06 0.11 0.00 -1.10 0.00 0.00 41.96 39.87 3ghb s TYR 49 CO -0.02 -0.30 0.71 0.41 -2.51 0.00 0.00 175.55 173.85 3ghb n GLY 50 N -0.69 -0.47 4.72 5.49 0.00 -1.22 -0.44 105.19 112.58 3ghb n GLY 50 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ghb n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ghb n ASN 51 N -2.54 0.00 -0.23 1.61 3.02 -0.69 -4.00 115.26 112.43 3ghb n ASN 51 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3ghb n ASN 51 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3ghb n ASN 51 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3ghb n ASN 52 N 1.54 0.00 -4.83 6.41 6.94 -1.09 -3.26 115.26 120.97 3ghb n ASN 52 Ca 0.00 -1.38 -0.38 0.00 -0.02 0.00 0.00 54.58 52.80 3ghb n ASN 52 Cb 0.00 -0.08 -0.06 0.00 -2.36 0.00 0.00 39.78 37.28 3ghb n ASN 52 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3ghb s LYS 53 N 0.00 4.03 -0.19 -3.83 1.02 0.41 -4.60 119.74 116.57 3ghb s LYS 53 Ca 0.00 0.54 -0.06 0.00 0.02 0.00 0.00 55.97 56.48 3ghb s LYS 53 Cb 0.00 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3ghb s LYS 53 CO 0.00 0.63 0.02 1.03 -0.92 0.00 0.00 175.35 176.12 3ghb s ARG 54 N -1.26 3.75 0.70 1.68 0.52 -1.26 -1.33 118.95 121.75 3ghb s ARG 54 Ca 0.28 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 3ghb s ARG 54 Cb -0.17 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.19 3ghb s ARG 54 CO 0.17 0.10 1.11 -2.14 0.02 0.00 0.00 175.30 174.56 3ghb s PRO 55 N 0.79 2.58 0.23 3.54 0.02 -1.26 -4.90 135.00 135.99 3ghb s PRO 55 Ca 0.02 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.06 3ghb s PRO 55 Cb -0.14 -1.93 -0.14 0.00 0.02 0.00 0.00 34.50 32.32 3ghb s PRO 55 CO 0.02 -1.42 1.40 0.45 -0.33 0.00 0.00 177.00 177.13 3ghb n SER 56 N -2.80 2.69 0.00 2.53 2.88 -1.26 -1.92 113.62 115.73 3ghb n SER 56 Ca 0.10 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3ghb n SER 56 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3ghb n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ghb n GLY 57 N 2.21 2.68 3.56 0.46 0.00 -1.26 -5.04 105.19 107.81 3ghb n GLY 57 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ghb n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ghb s ILE 58 N -2.63 4.71 0.78 -0.61 -1.09 -0.81 -5.04 121.20 116.52 3ghb s ILE 58 Ca 0.00 0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 58.93 3ghb s ILE 58 Cb 0.00 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.70 3ghb s ILE 58 CO 0.00 -0.55 1.18 -2.16 -1.23 0.00 0.00 174.94 172.18 3ghb s PRO 59 N 3.14 1.88 0.00 2.79 0.04 -1.26 -4.78 135.00 136.81 3ghb s PRO 59 Ca 0.30 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.05 3ghb s PRO 59 Cb -0.13 -1.81 0.40 0.00 0.04 0.00 0.00 34.50 33.00 3ghb s PRO 59 CO 0.19 -2.01 0.81 -0.40 0.04 0.00 0.00 177.00 175.64 3ghb n ASP 60 N -3.17 0.00 0.23 6.66 5.68 -1.26 -1.93 116.55 122.77 3ghb n ASP 60 Ca 0.13 -0.56 0.08 0.00 -0.50 0.00 0.00 54.79 53.93 3ghb n ASP 60 Cb 0.51 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.05 3ghb n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ghb h ARG 61 N 0.00 0.00 -5.44 0.11 3.08 -1.89 -3.41 114.38 106.83 3ghb h ARG 61 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 3ghb h ARG 61 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 3ghb h ARG 61 CO 0.00 0.21 -0.40 -0.06 -1.07 0.00 0.00 179.97 178.65 3ghb s PHE 62 N -4.21 3.47 0.03 3.04 0.40 -0.81 -1.37 117.98 118.52 3ghb s PHE 62 Ca -0.03 0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 56.76 3ghb s PHE 62 Cb 0.14 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.43 3ghb s PHE 62 CO 0.65 0.33 0.07 -1.54 0.70 0.00 0.00 175.22 175.42 3ghb s SER 63 N 0.20 0.21 0.04 1.36 1.04 -0.45 -4.96 113.70 111.15 3ghb s SER 63 Ca 0.13 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.03 3ghb s SER 63 Cb -0.12 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3ghb s SER 63 CO 0.02 -0.48 -0.08 -0.83 0.98 0.00 0.00 173.24 172.85 3ghb s GLY 64 N -2.05 0.50 0.22 7.32 0.00 -1.26 0.09 107.32 112.14 3ghb s GLY 64 Ca -0.06 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 43.94 3ghb s GLY 64 CO -0.04 -0.76 0.16 -1.35 0.00 0.00 0.00 173.10 171.11 3ghb s SER 65 N -1.41 0.36 -0.18 1.64 1.04 -0.37 -4.12 113.70 110.66 3ghb s SER 65 Ca -0.08 -1.43 -0.06 0.00 0.48 0.00 0.00 55.95 54.85 3ghb s SER 65 Cb -0.09 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3ghb s SER 65 CO 0.00 -0.88 0.38 -0.75 0.98 0.00 0.00 173.24 172.97 3ghb s LYS 66 N -4.05 0.28 -0.42 4.02 2.20 -1.26 -1.74 119.74 118.76 3ghb s LYS 66 Ca 0.39 0.97 0.04 0.00 -0.36 0.00 0.00 55.97 57.00 3ghb s LYS 66 Cb 0.06 0.24 0.12 0.00 -1.51 0.00 0.00 37.83 36.74 3ghb s LYS 66 CO 0.14 -0.26 0.15 -1.12 -0.36 0.00 0.00 175.35 173.91 3ghb s SER 67 N 2.57 4.47 0.38 1.43 0.01 -0.15 -5.01 113.70 117.40 3ghb s SER 67 Ca -0.01 -2.54 0.00 0.00 1.31 0.00 0.00 55.95 54.71 3ghb s SER 67 Cb -0.12 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.55 3ghb s SER 67 CO -0.12 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.83 3ghb n GLY 68 N 3.74 1.67 0.20 3.44 0.00 -1.26 -2.72 105.19 110.25 3ghb n GLY 68 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.13 3ghb n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ghb n THR 69 N 0.00 0.92 -4.90 2.61 -2.24 -1.26 -4.08 114.28 105.33 3ghb n THR 69 Ca 0.00 -0.96 -0.27 0.00 -2.27 0.00 0.00 64.05 60.55 3ghb n THR 69 Cb 0.00 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 68.61 3ghb n THR 69 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ghb s SER 70 N -0.94 2.31 0.28 3.42 0.15 -1.10 -1.50 113.70 116.31 3ghb s SER 70 Ca 0.07 -0.38 0.09 0.00 0.70 0.00 0.00 55.95 56.43 3ghb s SER 70 Cb 0.04 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 3ghb s SER 70 CO 0.05 0.16 0.06 0.00 1.20 0.00 0.00 173.24 174.70 3ghb s ALA 71 N 0.08 3.29 -0.01 5.45 0.00 0.37 -0.98 121.76 129.97 3ghb s ALA 71 Ca -0.06 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 3ghb s ALA 71 Cb -0.13 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3ghb s ALA 71 CO 0.03 0.21 0.09 0.99 0.00 0.00 0.00 175.76 177.08 3ghb s THR 72 N -2.32 0.06 -0.08 0.00 2.01 -0.71 -0.39 115.64 114.20 3ghb s THR 72 Ca 0.33 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.91 3ghb s THR 72 Cb -0.06 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 3ghb s THR 72 CO 0.21 -0.26 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.43 3ghb s LEU 73 N -0.84 2.05 0.03 4.42 2.96 0.10 -1.23 118.68 126.17 3ghb s LEU 73 Ca -0.09 -0.52 0.09 0.00 -0.22 0.00 0.00 54.13 53.38 3ghb s LEU 73 Cb -0.05 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 3ghb s LEU 73 CO 0.00 0.18 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.14 3ghb s GLY 74 N 0.18 1.41 -0.07 7.98 0.00 0.11 -0.52 107.32 116.40 3ghb s GLY 74 Ca -0.13 -1.23 -0.01 0.00 0.00 0.00 0.00 44.72 43.35 3ghb s GLY 74 CO 0.07 -1.10 -0.01 -0.42 0.00 0.00 0.00 173.10 171.63 3ghb s ILE 75 N -0.79 0.47 0.28 0.90 1.01 -0.86 -1.33 121.20 120.87 3ghb s ILE 75 Ca 0.12 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.91 3ghb s ILE 75 Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3ghb s ILE 75 CO 0.02 0.27 0.06 0.42 0.00 0.00 0.00 174.94 175.71 3ghb s THR 76 N 1.86 3.59 -1.43 2.92 -4.23 -0.47 -1.60 115.64 116.27 3ghb s THR 76 Ca 0.04 -1.77 -0.07 0.00 -1.18 0.00 0.00 61.69 58.71 3ghb s THR 76 Cb -0.12 -2.99 0.04 0.00 1.34 0.00 0.00 72.50 70.77 3ghb s THR 76 CO -0.05 -0.34 0.82 0.61 -0.54 0.00 0.00 174.62 175.12 3ghb n GLY 77 N -1.00 -0.39 3.56 3.99 0.00 -0.95 -4.83 105.19 105.57 3ghb n GLY 77 Ca -0.06 0.16 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 3ghb n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ghb n LEU 78 N -4.49 1.19 -4.48 0.99 4.77 -0.26 -4.45 117.00 110.27 3ghb n LEU 78 Ca -0.13 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.73 3ghb n LEU 78 Cb 0.60 -1.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 3ghb n LEU 78 CO 0.73 -1.47 -0.48 -1.10 -1.33 0.00 0.00 177.39 173.74 3ghb s GLN 79 N -0.35 1.72 0.54 3.23 -0.21 -1.26 0.35 119.66 123.68 3ghb s GLN 79 Ca 0.75 -1.49 0.23 0.00 0.02 0.00 0.00 55.36 54.86 3ghb s GLN 79 Cb -0.90 -1.93 1.42 0.00 1.00 0.00 0.00 33.01 32.60 3ghb s GLN 79 CO 0.53 0.40 2.08 1.79 -2.12 0.00 0.00 175.29 177.97 3ghb h THR 80 N 2.88 0.76 0.00 -0.19 1.35 -1.95 -0.06 112.91 115.71 3ghb h THR 80 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ghb h THR 80 Cb 1.22 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3ghb h THR 80 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3ghb n GLY 81 N -1.54 -1.12 0.10 5.82 0.00 -1.26 -2.25 105.19 104.93 3ghb n GLY 81 Ca 0.03 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3ghb n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ghb n ASP 82 N -2.19 0.40 -4.61 1.61 8.00 -0.03 -4.81 116.55 114.91 3ghb n ASP 82 Ca 0.01 -0.53 -0.43 0.00 0.71 0.00 0.00 54.79 54.55 3ghb n ASP 82 Cb 0.16 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3ghb n ASP 82 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3ghb s GLU 83 N -2.47 3.42 0.01 -1.24 2.12 -0.96 -4.83 118.70 114.75 3ghb s GLU 83 Ca 0.29 1.87 -0.06 0.00 0.36 0.00 0.00 54.97 57.43 3ghb s GLU 83 Cb 0.20 -4.24 0.02 0.00 0.26 0.00 0.00 34.13 30.37 3ghb s GLU 83 CO 0.47 -1.77 0.26 0.00 -0.54 0.00 0.00 175.26 173.68 3ghb n ALA 84 N 10.27 -0.70 -2.81 6.30 0.00 -1.09 -4.98 120.51 127.48 3ghb n ALA 84 Ca 0.25 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 3ghb n ALA 84 Cb 0.45 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 3ghb n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ghb s ASP 85 N -1.58 6.44 -0.04 0.00 1.01 -0.89 -1.36 116.67 120.24 3ghb s ASP 85 Ca 0.06 0.46 0.01 0.00 0.71 0.00 0.00 52.55 53.78 3ghb s ASP 85 Cb -0.00 -2.05 0.02 0.00 1.01 0.00 0.00 42.92 41.91 3ghb s ASP 85 CO 0.00 0.22 -0.03 -0.31 0.21 0.00 0.00 175.17 175.26 3ghb s TYR 86 N -1.39 0.61 0.02 4.23 2.02 -0.67 -1.32 117.35 120.85 3ghb s TYR 86 Ca 0.30 -0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 3ghb s TYR 86 Cb -0.13 -0.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.82 3ghb s TYR 86 CO 0.20 -0.18 -0.05 -0.59 -1.57 0.00 0.00 175.55 173.36 3ghb s PHE 87 N 1.04 0.39 0.48 2.71 -0.71 -0.85 -0.23 117.98 120.82 3ghb s PHE 87 Ca -0.09 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 3ghb s PHE 87 Cb -0.14 -0.25 0.00 0.00 -1.21 0.00 0.00 43.02 41.42 3ghb s PHE 87 CO -0.01 -0.08 0.71 0.00 -1.34 0.00 0.00 175.22 174.49 3ghb s ALA 89 N -2.62 -1.58 0.00 0.00 0.00 -0.33 -1.34 121.76 115.88 3ghb s ALA 89 Ca 0.50 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 3ghb s ALA 89 Cb -0.10 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3ghb s ALA 89 CO 0.38 -0.82 0.15 -2.37 0.00 0.00 0.00 175.76 173.10 3ghb n THR 90 N -0.37 0.00 -4.52 0.00 5.66 -1.04 -0.27 114.28 113.74 3ghb n THR 90 Ca -0.12 -0.03 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 3ghb n THR 90 Cb 0.63 0.07 -0.11 0.00 -1.55 0.00 0.00 70.33 69.38 3ghb n THR 90 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 3ghb s TRP 91 N -3.34 2.25 -0.05 1.09 -2.14 -1.26 -0.17 118.94 115.31 3ghb s TRP 91 Ca 0.03 -0.70 -0.07 0.00 2.66 0.00 0.00 56.10 58.02 3ghb s TRP 91 Cb -0.00 -1.44 -0.04 0.00 -3.10 0.00 0.00 33.47 28.89 3ghb s TRP 91 CO 0.00 0.34 0.22 0.34 -2.66 0.00 0.00 176.95 175.20 3ghb s ASP 92 N -3.58 6.48 0.22 -2.66 2.15 0.78 -4.38 116.67 115.68 3ghb s ASP 92 Ca 0.34 0.55 0.23 0.00 0.43 0.00 0.00 52.55 54.09 3ghb s ASP 92 Cb 0.07 -2.09 0.93 0.00 -0.30 0.00 0.00 42.92 41.52 3ghb s ASP 92 CO 0.16 0.33 1.68 -1.54 -0.17 0.00 0.00 175.17 175.63 3ghb n SER 93 N 1.55 0.58 -4.21 -0.34 3.41 -0.94 -3.86 113.62 109.81 3ghb n SER 93 Ca -0.15 0.64 -0.30 0.00 -0.26 0.00 0.00 58.87 58.79 3ghb n SER 93 Cb 0.54 -0.76 0.19 0.00 -0.26 0.00 0.00 64.21 63.92 3ghb n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghb n GLY 94 N 0.09 -2.52 0.28 5.00 0.00 -1.26 -4.78 105.19 102.00 3ghb n GLY 94 Ca 0.03 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.31 3ghb n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ghb h LEU 95 N -2.30 0.00 0.00 0.99 3.38 -2.04 -1.79 115.31 113.55 3ghb h LEU 95 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3ghb h LEU 95 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ghb h LEU 95 CO 0.38 0.07 -0.36 -1.20 0.09 0.00 0.00 178.44 177.42 3ghb n SER 95 N -3.48 0.72 -4.04 -0.43 7.64 -1.26 -4.94 113.62 107.82 3ghb n SER 95 Ca -0.02 0.30 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 3ghb n SER 95 Cb 0.20 -0.23 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 3ghb n SER 95 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ghb n ALA 95 N -1.79 -2.10 -1.77 -0.43 0.00 -0.67 -4.86 120.51 108.88 3ghb n ALA 95 Ca 0.04 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 3ghb n ALA 95 Cb 0.43 -1.58 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3ghb n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ghb s ASP 95 N -4.24 6.65 0.25 0.00 1.11 -1.26 -4.56 116.67 114.61 3ghb s ASP 95 Ca 0.08 2.54 -0.29 0.00 0.18 0.00 0.00 52.55 55.05 3ghb s ASP 95 Cb -0.03 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.23 3ghb s ASP 95 CO 0.92 -0.60 0.94 0.26 1.18 0.00 0.00 175.17 177.87 3ghb s TRP 96 N -1.25 3.96 0.15 4.23 0.52 -1.26 -0.15 118.94 125.13 3ghb s TRP 96 Ca 0.52 1.90 0.08 0.00 0.02 0.00 0.00 56.10 58.62 3ghb s TRP 96 Cb -0.36 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 3ghb s TRP 96 CO 0.47 0.44 -0.17 0.14 0.02 0.00 0.00 176.95 177.84 3ghb s VAL 97 N -1.23 1.65 0.09 4.03 -7.23 0.75 -4.91 120.40 113.56 3ghb s VAL 97 Ca 0.42 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 3ghb s VAL 97 Cb -0.25 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3ghb s VAL 97 CO 0.31 -0.35 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.30 3ghb s PHE 98 N -2.07 0.98 0.64 2.82 0.08 -1.26 -2.49 117.98 116.68 3ghb s PHE 98 Ca 0.13 -0.71 -0.09 0.00 0.12 0.00 0.00 56.93 56.39 3ghb s PHE 98 Cb -0.05 -0.55 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3ghb s PHE 98 CO 0.05 -0.04 0.99 0.20 -0.10 0.00 0.00 175.22 176.32 3ghb s GLY 99 N -2.54 1.61 0.51 4.36 0.00 -0.45 -2.22 107.32 108.59 3ghb s GLY 99 Ca 0.06 -0.50 0.30 0.00 0.00 0.00 0.00 44.72 44.57 3ghb s GLY 99 CO -0.01 -0.19 1.91 -1.33 0.00 0.00 0.00 173.10 173.48 3ghb h GLY 100 N -0.37 0.00 0.00 0.20 0.00 -1.87 -3.44 103.07 97.60 3ghb h GLY 100 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ghb h GLY 100 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3ghb n GLY 101 N 0.11 2.33 2.96 4.60 0.00 -1.26 -5.03 105.19 108.91 3ghb n GLY 101 Ca 0.01 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.11 3ghb n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ghb s THR 102 N -1.48 1.16 -0.39 2.61 2.01 0.68 -4.57 115.64 115.66 3ghb s THR 102 Ca 0.00 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 3ghb s THR 102 Cb 0.00 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.40 3ghb s THR 102 CO 0.00 0.38 0.92 -0.75 -0.69 0.00 0.00 174.62 174.48 3ghb s LYS 103 N 1.35 3.77 -0.24 4.92 2.47 -0.57 -1.67 119.74 129.77 3ghb s LYS 103 Ca -0.01 0.47 -0.15 0.00 -1.56 0.00 0.00 55.97 54.71 3ghb s LYS 103 Cb -0.14 -3.83 -0.04 0.00 -1.46 0.00 0.00 37.83 32.37 3ghb s LYS 103 CO -0.05 -1.01 0.39 -1.17 0.16 0.00 0.00 175.35 173.67 3ghb s LEU 104 N 3.52 4.10 -0.12 5.43 2.96 -0.46 -1.79 118.68 132.32 3ghb s LEU 104 Ca 0.37 0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 3ghb s LEU 104 Cb -0.12 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3ghb s LEU 104 CO 0.20 -0.13 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.17 3ghb s THR 105 N 1.70 3.87 -0.58 3.68 2.01 -0.40 -2.69 115.64 123.23 3ghb s THR 105 Ca 0.17 -0.39 -0.09 0.00 0.31 0.00 0.00 61.69 61.69 3ghb s THR 105 Cb -0.15 -2.65 0.15 0.00 0.01 0.00 0.00 72.50 69.86 3ghb s THR 105 CO 0.09 0.54 0.46 -0.69 -0.69 0.00 0.00 174.62 174.33 3ghb s VAL 106 N -0.15 4.44 -0.42 3.82 1.01 -1.26 -2.47 120.40 125.37 3ghb s VAL 106 Ca 0.03 -2.17 -0.37 0.00 0.00 0.00 0.00 61.98 59.47 3ghb s VAL 106 Cb -0.13 -3.87 -0.16 0.00 0.00 0.00 0.00 36.38 32.22 3ghb s VAL 106 CO 0.03 -0.86 1.79 0.18 0.00 0.00 0.00 175.10 176.24 3ghb n LEU 106 N 4.43 0.64 -0.08 3.92 4.77 -0.60 -4.82 117.00 125.25 3ghb n LEU 106 Ca -0.00 0.58 0.01 0.00 -0.03 0.00 0.00 56.01 56.56 3ghb n LEU 106 Cb 0.41 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.77 3ghb n LEU 106 CO 0.40 -0.65 0.50 -1.54 -1.33 0.00 0.00 177.39 174.76 3ghb n SER 107 N 6.24 2.04 -3.54 -1.43 3.41 -1.26 -4.41 113.62 114.67 3ghb n SER 107 Ca 0.46 -1.92 -0.09 0.00 -0.26 0.00 0.00 58.87 57.06 3ghb n SER 107 Cb -0.03 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3ghb n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghb s GLN 108 N -0.93 1.13 0.61 4.33 -2.07 -1.26 -5.16 119.66 116.31 3ghb s GLN 108 Ca 0.03 -0.47 -0.19 0.00 -1.82 0.00 0.00 55.36 52.91 3ghb s GLN 108 Cb 0.02 0.48 -0.03 0.00 -1.09 0.00 0.00 33.01 32.39 3ghb s GLN 108 CO 0.02 -0.50 1.17 -2.30 -1.32 0.00 0.00 175.29 172.36 3ghb n PRO 109 N -0.34 1.11 -1.68 9.60 -0.02 -1.26 -4.94 135.00 137.47 3ghb n PRO 109 Ca -0.11 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3ghb n PRO 109 Cb 0.63 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.78 3ghb n PRO 109 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ghb n LYS 110 N -1.41 1.02 -3.66 -0.52 4.76 -1.26 -4.88 118.16 112.21 3ghb n LYS 110 Ca 0.14 0.40 -0.22 0.00 -2.87 0.00 0.00 58.31 55.76 3ghb n LYS 110 Cb 0.47 -2.39 -0.18 0.00 -1.84 0.00 0.00 35.03 31.10 3ghb n LYS 110 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ghb s ALA 111 N -1.44 0.34 0.41 7.82 0.00 -0.55 -4.94 121.76 123.39 3ghb s ALA 111 Ca 0.80 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 3ghb s ALA 111 Cb -0.39 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.87 3ghb s ALA 111 CO 0.43 -0.72 1.17 0.00 0.00 0.00 0.00 175.76 176.63 3ghb s ALA 112 N 2.14 3.14 0.26 0.00 0.00 -1.26 -1.94 121.76 124.10 3ghb s ALA 112 Ca 0.04 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 3ghb s ALA 112 Cb -0.13 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3ghb s ALA 112 CO -0.05 -0.54 1.24 -1.25 0.00 0.00 0.00 175.76 175.16 3ghb s PRO 113 N -2.34 4.45 -0.22 0.00 0.04 -1.26 -4.54 135.00 131.14 3ghb s PRO 113 Ca 0.58 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.43 3ghb s PRO 113 Cb -0.30 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 3ghb s PRO 113 CO 0.38 -0.10 0.63 -1.12 0.04 0.00 0.00 177.00 176.83 3ghb s SER 114 N -0.23 6.64 0.07 6.66 0.01 0.04 -4.91 113.70 121.98 3ghb s SER 114 Ca 0.51 0.78 0.05 0.00 1.31 0.00 0.00 55.95 58.60 3ghb s SER 114 Cb -0.36 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3ghb s SER 114 CO 0.43 -0.31 -0.06 -0.69 0.41 0.00 0.00 173.24 173.02 3ghb s VAL 115 N 2.14 3.65 -0.10 3.43 1.01 -1.26 -1.75 120.40 127.53 3ghb s VAL 115 Ca 0.28 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 3ghb s VAL 115 Cb -0.16 -2.69 0.05 0.00 0.00 0.00 0.00 36.38 33.59 3ghb s VAL 115 CO 0.10 0.19 0.20 -0.89 0.00 0.00 0.00 175.10 174.69 3ghb s THR 116 N -1.19 -0.24 -0.13 3.92 2.01 -0.71 -5.00 115.64 114.32 3ghb s THR 116 Ca 0.22 0.28 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 3ghb s THR 116 Cb -0.11 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 3ghb s THR 116 CO 0.13 0.12 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.86 3ghb s LEU 117 N 1.99 2.89 -0.05 4.42 2.96 -1.26 -0.92 118.68 128.72 3ghb s LEU 117 Ca -0.01 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3ghb s LEU 117 Cb -0.12 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3ghb s LEU 117 CO -0.07 0.19 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.59 3ghb s PHE 118 N 0.19 2.54 0.67 5.38 0.08 0.20 -4.98 117.98 122.06 3ghb s PHE 118 Ca -0.06 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 3ghb s PHE 118 Cb -0.15 -1.60 0.03 0.00 -0.57 0.00 0.00 43.02 40.74 3ghb s PHE 118 CO 0.04 0.01 0.99 -1.25 -0.10 0.00 0.00 175.22 174.91 3ghb s PRO 119 N -0.50 2.56 0.54 0.24 0.04 -1.26 -1.87 135.00 134.75 3ghb s PRO 119 Ca 0.06 -0.03 -0.21 0.00 0.04 0.00 0.00 61.00 60.87 3ghb s PRO 119 Cb -0.11 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 3ghb s PRO 119 CO 0.01 -1.02 1.23 -2.14 0.04 0.00 0.00 177.00 175.12 3ghb s PRO 120 N -5.18 3.27 0.55 0.56 0.02 -1.23 -4.83 135.00 128.15 3ghb s PRO 120 Ca 0.57 1.92 -0.10 0.00 0.02 0.00 0.00 61.00 63.41 3ghb s PRO 120 Cb -0.11 -2.17 -0.05 0.00 0.02 0.00 0.00 34.50 32.20 3ghb s PRO 120 CO 0.46 -0.99 0.94 -1.54 -0.33 0.00 0.00 177.00 175.54 3ghb s SER 121 N -1.35 6.32 0.44 2.53 1.04 -1.26 -4.94 113.70 116.48 3ghb s SER 121 Ca 0.71 1.29 0.14 0.00 0.48 0.00 0.00 55.95 58.57 3ghb s SER 121 Cb -0.32 -2.41 0.97 0.00 0.10 0.00 0.00 66.02 64.36 3ghb s SER 121 CO 0.37 -0.71 1.98 0.77 0.98 0.00 0.00 173.24 176.63 3ghb h SER 122 N 0.13 0.02 -0.39 7.02 4.64 -1.99 -1.86 113.55 121.12 3ghb h SER 122 Ca -0.45 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 3ghb h SER 122 Cb 1.19 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3ghb h SER 122 CO 0.62 0.21 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.44 3ghb h GLU 123 N 0.02 0.70 -0.30 4.77 5.08 -1.99 -2.35 114.58 120.51 3ghb h GLU 123 Ca 0.00 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 3ghb h GLU 123 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ghb h GLU 123 CO 0.02 0.81 -0.20 1.49 -1.00 0.00 0.00 179.01 180.13 3ghb h GLU 124 N 0.52 0.66 -0.84 2.33 4.81 -1.76 -2.74 114.58 117.56 3ghb h GLU 124 Ca 0.11 -0.31 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3ghb h GLU 124 Cb 0.50 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 3ghb h GLU 124 CO 0.02 0.91 0.45 -0.07 -0.73 0.00 0.00 179.01 179.59 3ghb h LEU 125 N 0.41 0.57 -1.70 1.64 3.38 -1.20 0.44 115.31 118.86 3ghb h LEU 125 Ca 0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ghb h LEU 125 Cb 0.75 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ghb h LEU 125 CO 0.05 0.27 0.00 1.56 0.09 0.00 0.00 178.44 180.42 3ghb h GLN 126 N 0.67 0.00 -0.19 1.13 4.20 -1.26 0.85 115.11 120.51 3ghb h GLN 126 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 3ghb h GLN 126 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3ghb h GLN 126 CO -0.33 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.83 3ghb n ALA 127 N -2.06 2.49 -3.27 3.87 0.00 0.15 -4.90 120.51 116.80 3ghb n ALA 127 Ca -0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 3ghb n ALA 127 Cb 0.25 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.72 3ghb n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ghb n ASN 128 N 0.12 -4.49 -3.87 0.00 5.15 0.29 -5.03 115.26 107.43 3ghb n ASN 128 Ca 0.11 -0.42 -0.09 0.00 -0.60 0.00 0.00 54.58 53.57 3ghb n ASN 128 Cb 0.22 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.45 3ghb n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ghb s LYS 129 N -5.75 1.17 -0.15 1.20 1.02 -1.07 -4.75 119.74 111.41 3ghb s LYS 129 Ca 0.33 -1.04 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 3ghb s LYS 129 Cb -0.15 0.42 0.05 0.00 -0.52 0.00 0.00 37.83 37.63 3ghb s LYS 129 CO 0.55 -0.45 0.40 0.00 -0.92 0.00 0.00 175.35 174.93 3ghb s ALA 130 N -3.92 -0.99 -0.04 5.17 0.00 -1.09 -2.84 121.76 118.04 3ghb s ALA 130 Ca 0.13 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.34 3ghb s ALA 130 Cb 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.43 3ghb s ALA 130 CO -0.03 -0.22 0.08 0.99 0.00 0.00 0.00 175.76 176.59 3ghb s THR 131 N 0.68 -0.11 -0.13 0.00 2.01 -1.26 -1.09 115.64 115.75 3ghb s THR 131 Ca -0.04 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 3ghb s THR 131 Cb -0.05 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 3ghb s THR 131 CO -0.05 0.12 0.18 -0.76 -0.69 0.00 0.00 174.62 173.43 3ghb s LEU 132 N 1.61 4.33 -0.19 4.42 1.02 -0.24 -3.54 118.68 126.10 3ghb s LEU 132 Ca -0.03 0.46 -0.01 0.00 0.02 0.00 0.00 54.13 54.57 3ghb s LEU 132 Cb -0.12 -2.17 0.00 0.00 0.02 0.00 0.00 46.19 43.92 3ghb s LEU 132 CO -0.04 0.30 -0.12 -0.69 0.02 0.00 0.00 176.35 175.82 3ghb s VAL 133 N -0.49 2.80 -0.36 -1.59 1.01 -0.78 -1.79 120.40 119.19 3ghb s VAL 133 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3ghb s VAL 133 Cb -0.12 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.12 3ghb s VAL 133 CO 0.03 0.49 0.12 0.00 0.00 0.00 0.00 175.10 175.73 3ghb s LEU 135 N 1.14 4.15 -0.17 0.00 1.43 -0.09 -1.41 118.68 123.72 3ghb s LEU 135 Ca 0.05 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3ghb s LEU 135 Cb -0.21 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.51 3ghb s LEU 135 CO -0.04 -0.08 -0.16 -0.63 0.23 0.00 0.00 176.35 175.66 3ghb s ILE 136 N 1.36 2.45 0.23 -0.59 1.01 0.31 -1.73 121.20 124.24 3ghb s ILE 136 Ca 0.19 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3ghb s ILE 136 Cb -0.15 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 3ghb s ILE 136 CO 0.08 0.52 0.22 -0.94 0.00 0.00 0.00 174.94 174.81 3ghb s SER 137 N 1.08 0.27 -1.46 3.58 1.04 -0.72 -0.30 113.70 117.19 3ghb s SER 137 Ca -0.00 -1.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.01 3ghb s SER 137 Cb -0.14 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.45 3ghb s SER 137 CO -0.05 -0.93 0.63 0.47 0.98 0.00 0.00 173.24 174.33 3ghb n ASP 138 N -0.45 -5.32 -4.77 7.02 8.00 -0.53 -0.78 116.55 119.71 3ghb n ASP 138 Ca 0.02 -0.36 -0.26 0.00 0.71 0.00 0.00 54.79 54.90 3ghb n ASP 138 Cb 0.65 -4.31 -0.06 0.00 -0.02 0.00 0.00 41.12 37.38 3ghb n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3ghb s PHE 139 N -3.12 3.09 -0.24 1.24 -0.71 -0.96 -4.55 117.98 112.74 3ghb s PHE 139 Ca 0.37 -0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 56.09 3ghb s PHE 139 Cb -0.18 -1.48 0.08 0.00 -1.21 0.00 0.00 43.02 40.23 3ghb s PHE 139 CO 0.46 0.52 0.57 -0.47 -1.34 0.00 0.00 175.22 174.96 3ghb s TYR 140 N -1.76 -0.93 1.10 3.49 5.04 -0.82 0.22 117.35 123.69 3ghb s TYR 140 Ca 0.30 1.84 -0.13 0.00 -2.44 0.00 0.00 57.07 56.65 3ghb s TYR 140 Cb -0.10 0.51 0.25 0.00 0.35 0.00 0.00 41.96 42.97 3ghb s TYR 140 CO 0.23 -0.48 1.05 -1.25 -1.34 0.00 0.00 175.55 173.76 3ghb s PRO 141 N 1.77 -0.41 -1.59 4.97 0.04 -1.26 -1.48 135.00 137.04 3ghb s PRO 141 Ca -0.09 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 3ghb s PRO 141 Cb -0.07 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 3ghb s PRO 141 CO -0.17 -3.35 2.83 0.41 0.04 0.00 0.00 177.00 176.76 3ghb n GLY 142 N 0.10 4.30 3.17 0.56 0.00 -1.26 -4.85 105.19 107.21 3ghb n GLY 142 Ca 0.04 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3ghb n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghb s ALA 143 N 2.24 -0.79 0.19 4.61 0.00 -1.26 -4.76 121.76 121.99 3ghb s ALA 143 Ca 0.66 1.16 -0.05 0.00 0.00 0.00 0.00 51.96 53.72 3ghb s ALA 143 Cb 0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 3ghb s ALA 143 CO -0.07 -0.21 0.22 0.14 0.00 0.00 0.00 175.76 175.85 3ghb s VAL 144 N 1.02 0.04 -0.04 0.00 -7.23 -1.26 -4.64 120.40 108.29 3ghb s VAL 144 Ca -0.07 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 3ghb s VAL 144 Cb -0.08 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 3ghb s VAL 144 CO -0.08 -0.16 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.49 3ghb s THR 145 N -4.06 1.37 -0.12 5.32 2.01 -0.63 -4.94 115.64 114.57 3ghb s THR 145 Ca 0.27 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.60 3ghb s THR 145 Cb 0.05 -1.17 0.02 0.00 0.01 0.00 0.00 72.50 71.40 3ghb s THR 145 CO 0.06 0.39 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.55 3ghb s VAL 146 N -0.01 1.51 -0.06 3.82 1.01 -1.26 -0.63 120.40 124.77 3ghb s VAL 146 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3ghb s VAL 146 Cb -0.11 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3ghb s VAL 146 CO 0.02 0.45 -0.12 0.00 0.00 0.00 0.00 175.10 175.44 3ghb s ALA 147 N 1.21 1.23 -0.09 5.51 0.00 -0.97 -5.02 121.76 123.63 3ghb s ALA 147 Ca -0.02 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 3ghb s ALA 147 Cb -0.14 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 3ghb s ALA 147 CO -0.05 0.10 0.24 -1.58 0.00 0.00 0.00 175.76 174.47 3ghb s TRP 148 N 0.68 3.61 -0.13 0.00 0.52 -1.26 -2.55 118.94 119.81 3ghb s TRP 148 Ca -0.14 0.67 -0.03 0.00 0.02 0.00 0.00 56.10 56.62 3ghb s TRP 148 Cb -0.16 -2.11 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 3ghb s TRP 148 CO 0.03 0.62 -0.01 0.15 0.02 0.00 0.00 176.95 177.76 3ghb s LYS 149 N -0.77 3.44 -0.08 4.98 3.01 -0.25 -0.51 119.74 129.55 3ghb s LYS 149 Ca 0.17 -0.46 -0.04 0.00 -1.01 0.00 0.00 55.97 54.63 3ghb s LYS 149 Cb -0.14 -2.89 -0.02 0.00 -1.01 0.00 0.00 37.83 33.77 3ghb s LYS 149 CO 0.07 0.42 0.17 0.00 0.51 0.00 0.00 175.35 176.51 3ghb h ALA 150 N 6.12 -0.13 0.00 5.17 0.00 -1.14 -1.69 119.26 127.59 3ghb h ALA 150 Ca -0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ghb h ALA 150 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ghb h ALA 150 CO 0.61 -0.13 -0.65 -0.25 0.00 0.00 0.00 179.25 178.83 3ghb n ASP 151 N -4.87 1.85 0.00 0.00 8.00 -1.24 -3.61 116.55 116.69 3ghb n ASP 151 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3ghb n ASP 151 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3ghb n ASP 151 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3ghb n SER 152 N -2.35 0.00 -4.77 -2.24 2.88 -1.26 -4.82 113.62 101.07 3ghb n SER 152 Ca 0.00 -0.44 -0.26 0.00 -1.33 0.00 0.00 58.87 56.83 3ghb n SER 152 Cb 0.33 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.73 3ghb n SER 152 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3ghb s SER 153 N 0.00 5.35 0.69 -3.46 0.01 -1.26 -5.03 113.70 109.99 3ghb s SER 153 Ca 0.00 -0.18 -0.17 0.00 1.31 0.00 0.00 55.95 56.91 3ghb s SER 153 Cb 0.00 -1.35 0.01 0.00 0.21 0.00 0.00 66.02 64.90 3ghb s SER 153 CO 0.00 0.08 1.26 -2.16 0.41 0.00 0.00 173.24 172.83 3ghb s PRO 154 N -3.03 2.34 -0.13 12.44 0.04 -1.26 -0.64 135.00 144.77 3ghb s PRO 154 Ca 0.30 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 3ghb s PRO 154 Cb -0.10 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.64 3ghb s PRO 154 CO 0.22 -1.72 -0.00 0.08 0.04 0.00 0.00 177.00 175.62 3ghb s VAL 155 N -1.64 0.56 -0.23 -0.36 1.01 0.33 -4.63 120.40 115.44 3ghb s VAL 155 Ca 0.79 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 3ghb s VAL 155 Cb -0.34 -0.82 -0.11 0.00 0.00 0.00 0.00 36.38 35.11 3ghb s VAL 155 CO 0.42 0.10 -0.29 2.29 0.00 0.00 0.00 175.10 177.63 3ghb n LYS 156 N 5.07 0.50 -1.76 2.72 0.00 -1.26 -4.27 118.16 119.17 3ghb n LYS 156 Ca -0.09 0.20 -0.37 0.00 -0.00 0.00 0.00 58.31 58.05 3ghb n LYS 156 Cb 0.49 -1.35 0.06 0.00 -0.00 0.00 0.00 35.03 34.23 3ghb n LYS 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3ghb s ALA 157 N -2.43 2.54 0.00 0.58 0.00 -1.26 -3.11 121.76 118.07 3ghb s ALA 157 Ca -0.32 1.26 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3ghb s ALA 157 Cb 0.12 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3ghb s ALA 157 CO 0.42 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3ghb n GLY 158 N 0.83 0.49 3.80 0.00 0.00 -1.26 -4.83 105.19 104.22 3ghb n GLY 158 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3ghb n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghb s VAL 159 N -2.27 5.35 -0.07 1.61 1.01 -1.18 -1.25 120.40 123.59 3ghb s VAL 159 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 3ghb s VAL 159 Cb 0.00 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3ghb s VAL 159 CO 0.00 0.51 0.08 -1.61 0.00 0.00 0.00 175.10 174.08 3ghb s GLU 160 N -0.30 -0.03 0.00 2.72 2.02 -0.72 -5.00 118.70 117.38 3ghb s GLU 160 Ca 0.15 0.32 0.07 0.00 0.02 0.00 0.00 54.97 55.54 3ghb s GLU 160 Cb -0.13 -0.72 -0.03 0.00 0.10 0.00 0.00 34.13 33.35 3ghb s GLU 160 CO 0.04 -0.39 -0.21 0.99 0.02 0.00 0.00 175.26 175.71 3ghb s THR 161 N 2.19 2.49 0.50 3.63 2.01 -1.26 -0.85 115.64 124.35 3ghb s THR 161 Ca 0.04 -1.09 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 3ghb s THR 161 Cb -0.13 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 3ghb s THR 161 CO -0.05 0.48 0.86 0.42 -0.69 0.00 0.00 174.62 175.64 3ghb s THR 162 N -0.76 4.80 0.78 -0.82 -4.23 -0.32 -5.01 115.64 110.08 3ghb s THR 162 Ca 0.12 0.54 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 3ghb s THR 162 Cb -0.10 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 69.97 3ghb s THR 162 CO 0.01 -0.84 1.09 0.42 -0.54 0.00 0.00 174.62 174.77 3ghb s THR 163 N -2.75 3.31 0.56 3.99 -4.23 -1.26 -4.58 115.64 110.68 3ghb s THR 163 Ca 0.51 0.42 -0.19 0.00 -1.18 0.00 0.00 61.69 61.25 3ghb s THR 163 Cb -0.10 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 3ghb s THR 163 CO 0.43 -0.55 1.15 -2.16 -0.54 0.00 0.00 174.62 172.95 3ghb s PRO 164 N -4.91 3.21 -0.01 3.99 0.04 -1.26 -4.71 135.00 131.34 3ghb s PRO 164 Ca 0.61 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.33 3ghb s PRO 164 Cb -0.17 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3ghb s PRO 164 CO 0.56 -0.98 -0.02 0.45 0.04 0.00 0.00 177.00 177.05 3ghb s SER 165 N -1.75 0.40 0.01 6.66 0.15 0.14 -4.95 113.70 114.37 3ghb s SER 165 Ca 0.74 -0.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.04 3ghb s SER 165 Cb -0.26 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.91 3ghb s SER 165 CO 0.29 -0.00 1.11 -0.75 1.20 0.00 0.00 173.24 175.09 3ghb s LYS 166 N 0.27 4.47 0.92 5.44 2.20 -1.26 0.43 119.74 132.21 3ghb s LYS 166 Ca -0.03 1.61 -0.14 0.00 -0.36 0.00 0.00 55.97 57.05 3ghb s LYS 166 Cb -0.05 -3.43 0.21 0.00 -1.51 0.00 0.00 37.83 33.05 3ghb s LYS 166 CO -0.01 -0.21 1.25 1.04 -0.36 0.00 0.00 175.35 177.06 3ghb n GLN 167 N 4.17 -1.10 0.21 4.03 6.02 0.13 -4.91 117.38 125.93 3ghb n GLN 167 Ca 0.08 -2.08 0.06 0.00 -0.01 0.00 0.00 57.00 55.05 3ghb n GLN 167 Cb 0.48 -1.24 0.46 0.00 1.02 0.00 0.00 30.24 30.96 3ghb n GLN 167 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3ghb h SER 168 N -1.55 0.00 -0.62 1.08 0.02 -1.96 -2.82 113.55 107.71 3ghb h SER 168 Ca -0.40 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.34 3ghb h SER 168 Cb 1.15 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.57 3ghb h SER 168 CO 0.30 0.30 0.26 -0.46 -1.14 0.00 0.00 176.83 176.09 3ghb n ASN 169 N -3.84 4.15 0.00 3.07 0.23 -1.26 -4.91 115.26 112.70 3ghb n ASN 169 Ca -0.01 -2.99 0.00 0.00 -0.53 0.00 0.00 54.58 51.04 3ghb n ASN 169 Cb 0.38 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 3ghb n ASN 169 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3ghb n ASN 170 N -0.15 0.00 -4.75 0.53 3.02 -1.06 -4.96 115.26 107.88 3ghb n ASN 170 Ca 0.34 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 3ghb n ASN 170 Cb 1.21 -1.96 0.09 0.00 -0.61 0.00 0.00 39.78 38.51 3ghb n ASN 170 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ghb s LYS 171 N -0.73 1.90 0.28 3.52 1.02 -1.26 -4.77 119.74 119.69 3ghb s LYS 171 Ca 0.00 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.32 3ghb s LYS 171 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3ghb s LYS 171 CO 0.00 -1.32 0.04 0.71 -0.92 0.00 0.00 175.35 173.86 3ghb s TYR 172 N -3.15 2.74 0.14 3.18 1.51 0.13 0.22 117.35 122.11 3ghb s TYR 172 Ca 0.63 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 3ghb s TYR 172 Cb -0.08 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 3ghb s TYR 172 CO 0.44 0.56 -0.03 0.00 -1.11 0.00 0.00 175.55 175.42 3ghb s ALA 173 N -2.32 1.18 -0.01 3.71 0.00 0.17 -1.45 121.76 123.04 3ghb s ALA 173 Ca 0.33 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.51 3ghb s ALA 173 Cb -0.06 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.56 3ghb s ALA 173 CO 0.21 -0.29 1.02 0.00 0.00 0.00 0.00 175.76 176.70 3ghb s ALA 174 N -3.65 -1.89 -0.00 0.00 0.00 0.59 0.29 121.76 117.09 3ghb s ALA 174 Ca 0.19 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.92 3ghb s ALA 174 Cb 0.06 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.54 3ghb s ALA 174 CO 0.00 -0.80 0.22 -1.54 0.00 0.00 0.00 175.76 173.64 3ghb s SER 175 N -2.60 -0.07 -0.03 0.00 1.04 -1.26 -0.53 113.70 110.26 3ghb s SER 175 Ca 0.09 -0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.46 3ghb s SER 175 Cb -0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3ghb s SER 175 CO -0.05 -0.41 -0.08 -0.55 0.98 0.00 0.00 173.24 173.13 3ghb s SER 176 N -1.38 1.15 -0.13 7.02 0.15 -0.50 -1.17 113.70 118.84 3ghb s SER 176 Ca -0.14 -0.18 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3ghb s SER 176 Cb -0.06 -0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3ghb s SER 176 CO 0.03 0.06 -0.20 -0.31 1.20 0.00 0.00 173.24 174.01 3ghb s TYR 177 N 0.23 2.68 -0.33 3.44 1.51 -0.03 -1.34 117.35 123.50 3ghb s TYR 177 Ca -0.04 -1.05 -0.05 0.00 -1.01 0.00 0.00 57.07 54.92 3ghb s TYR 177 Cb -0.09 -1.80 0.05 0.00 -0.11 0.00 0.00 41.96 40.01 3ghb s TYR 177 CO 0.00 -0.44 0.09 -1.17 -1.11 0.00 0.00 175.55 172.92 3ghb s LEU 178 N 0.56 4.27 0.38 -1.29 2.96 -0.74 -1.76 118.68 123.06 3ghb s LEU 178 Ca -0.12 -1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 52.38 3ghb s LEU 178 Cb -0.16 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 3ghb s LEU 178 CO 0.04 -0.32 0.89 -0.44 -1.32 0.00 0.00 176.35 175.19 3ghb s SER 179 N 1.40 6.97 0.30 3.68 0.01 -0.38 -1.08 113.70 124.60 3ghb s SER 179 Ca -0.02 1.60 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 3ghb s SER 179 Cb -0.20 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.54 3ghb s SER 179 CO 0.02 -0.26 0.58 -0.76 0.41 0.00 0.00 173.24 173.23 3ghb s LEU 180 N -2.90 0.29 0.12 2.44 1.43 -0.25 -4.76 118.68 115.06 3ghb s LEU 180 Ca 0.57 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3ghb s LEU 180 Cb -0.11 2.08 -0.04 0.00 0.03 0.00 0.00 46.19 48.16 3ghb s LEU 180 CO 0.16 -1.32 0.25 0.42 0.23 0.00 0.00 176.35 176.09 3ghb s THR 181 N -3.48 5.27 0.36 5.49 -4.23 -1.26 -2.67 115.64 115.12 3ghb s THR 181 Ca 0.21 -0.62 0.11 0.00 -1.18 0.00 0.00 61.69 60.20 3ghb s THR 181 Cb -0.02 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.49 3ghb s THR 181 CO 0.11 -0.02 1.83 -0.65 -0.54 0.00 0.00 174.62 175.36 3ghb h PRO 182 N 2.48 0.61 -0.10 3.99 0.11 -1.85 -1.71 132.00 135.52 3ghb h PRO 182 Ca -0.47 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ghb h PRO 182 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ghb h PRO 182 CO 0.70 0.40 0.04 1.05 -0.21 0.00 0.00 178.00 179.99 3ghb h GLU 183 N 0.63 0.15 -0.43 1.05 9.09 -1.99 -2.20 114.58 120.87 3ghb h GLU 183 Ca 0.50 -0.02 0.08 0.00 0.05 0.00 0.00 59.36 59.97 3ghb h GLU 183 Cb 0.94 -0.03 -0.07 0.00 -1.65 0.00 0.00 28.75 27.94 3ghb h GLU 183 CO -0.25 0.24 0.02 1.96 0.05 0.00 0.00 179.01 181.03 3ghb h GLN 184 N 0.02 0.13 -0.34 1.06 4.20 -1.72 0.14 115.11 118.60 3ghb h GLN 184 Ca 0.03 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3ghb h GLN 184 Cb 0.15 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 3ghb h GLN 184 CO -0.00 0.09 0.05 2.35 -0.67 0.00 0.00 178.83 180.64 3ghb h TRP 185 N 0.13 0.07 -0.34 2.96 -0.00 -1.33 -2.91 115.95 114.53 3ghb h TRP 185 Ca 0.22 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 59.10 3ghb h TRP 185 Cb 0.31 0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 3ghb h TRP 185 CO -0.27 -0.01 0.10 0.87 -0.00 0.00 0.00 178.44 179.14 3ghb h LYS 186 N 0.16 0.53 0.00 2.65 6.56 -0.70 -3.37 116.57 122.39 3ghb h LYS 186 Ca 0.16 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3ghb h LYS 186 Cb 0.19 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 3ghb h LYS 186 CO -0.23 0.56 0.00 0.43 -2.06 0.00 0.00 179.45 178.15 3ghb n SER 187 N -4.65 0.00 -4.24 0.86 7.64 0.40 -4.79 113.62 108.84 3ghb n SER 187 Ca -0.01 0.35 -0.38 0.00 1.01 0.00 0.00 58.87 59.84 3ghb n SER 187 Cb 0.17 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 3ghb n SER 187 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ghb n HIS 188 N -0.51 -2.93 -0.06 1.43 8.25 -1.19 -4.92 115.22 115.29 3ghb n HIS 188 Ca 0.00 0.33 -0.15 0.00 -0.26 0.00 0.00 57.72 57.64 3ghb n HIS 188 Cb 0.00 -1.68 -0.06 0.00 1.12 0.00 0.00 29.99 29.36 3ghb n HIS 188 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ghb h ARG 189 N -0.26 0.64 -1.48 -0.41 2.47 -1.86 -3.44 114.38 110.04 3ghb h ARG 189 Ca -0.43 -0.43 0.10 0.00 -1.26 0.00 0.00 59.98 57.96 3ghb h ARG 189 Cb 1.40 0.06 -0.25 0.00 -1.65 0.00 0.00 29.97 29.53 3ghb h ARG 189 CO 0.38 1.05 0.60 -1.54 0.56 0.00 0.00 179.97 181.02 3ghb s SER 190 N -6.68 -0.33 0.16 7.04 1.04 -1.26 -3.89 113.70 109.79 3ghb s SER 190 Ca -0.12 0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.80 3ghb s SER 190 Cb 0.07 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3ghb s SER 190 CO 0.84 -0.24 0.10 -0.31 0.98 0.00 0.00 173.24 174.60 3ghb s TYR 191 N -0.75 3.06 0.03 5.02 1.51 -0.53 -3.61 117.35 122.08 3ghb s TYR 191 Ca 0.01 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 3ghb s TYR 191 Cb -0.02 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3ghb s TYR 191 CO -0.02 0.52 -0.06 -1.12 -1.11 0.00 0.00 175.55 173.76 3ghb s SER 192 N -3.04 0.62 -0.17 2.29 0.01 -0.64 -1.56 113.70 111.21 3ghb s SER 192 Ca 0.30 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.09 3ghb s SER 192 Cb -0.10 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.20 3ghb s SER 192 CO 0.22 -0.20 -0.15 0.00 0.41 0.00 0.00 173.24 173.52 3ghb s GLN 194 N 1.39 2.75 -0.23 0.00 -2.07 -1.06 -0.77 119.66 119.67 3ghb s GLN 194 Ca 0.03 -0.75 -0.07 0.00 -1.82 0.00 0.00 55.36 52.75 3ghb s GLN 194 Cb -0.14 -2.31 -0.03 0.00 -1.09 0.00 0.00 33.01 29.44 3ghb s GLN 194 CO -0.11 -0.10 0.06 0.08 -1.32 0.00 0.00 175.29 173.90 3ghb s VAL 195 N 1.06 4.37 -0.26 3.63 1.01 0.18 -2.28 120.40 128.11 3ghb s VAL 195 Ca -0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 3ghb s VAL 195 Cb -0.14 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3ghb s VAL 195 CO -0.06 0.37 0.19 -0.89 0.00 0.00 0.00 175.10 174.71 3ghb s THR 196 N 1.31 5.33 -0.08 3.92 2.01 0.20 -1.43 115.64 126.90 3ghb s THR 196 Ca 0.05 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 3ghb s THR 196 Cb -0.15 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.87 3ghb s THR 196 CO 0.03 0.29 0.00 -2.28 -0.69 0.00 0.00 174.62 171.98 3ghb s HIS 197 N 1.43 0.68 -1.20 4.92 5.04 -0.01 -1.61 115.29 124.54 3ghb s HIS 197 Ca 0.08 -0.19 -0.13 0.00 -1.54 0.00 0.00 55.06 53.27 3ghb s HIS 197 Cb -0.15 -0.81 -0.01 0.00 0.04 0.00 0.00 32.58 31.65 3ghb s HIS 197 CO 0.08 -0.34 0.73 0.39 -2.34 0.00 0.00 174.74 173.26 3ghb n GLU 198 N 5.14 -2.25 0.00 2.88 -0.58 -1.26 -2.73 120.64 121.84 3ghb n GLU 198 Ca -0.07 0.51 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3ghb n GLU 198 Cb 0.50 -4.51 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 3ghb n GLU 198 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ghb n GLY 199 N -1.67 1.51 3.76 0.62 0.00 -1.26 -4.95 105.19 103.20 3ghb n GLY 199 Ca -0.16 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 3ghb n GLY 199 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ghb s SER 200 N 0.00 5.72 0.06 1.61 0.01 -1.11 -5.01 113.70 114.98 3ghb s SER 200 Ca 0.00 2.39 0.09 0.00 1.31 0.00 0.00 55.95 59.74 3ghb s SER 200 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 3ghb s SER 200 CO 0.00 -1.24 -0.25 -0.89 0.41 0.00 0.00 173.24 171.27 3ghb s THR 201 N -1.55 2.05 -0.10 1.44 2.01 -1.26 -0.83 115.64 117.39 3ghb s THR 201 Ca 0.70 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3ghb s THR 201 Cb -0.30 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.45 3ghb s THR 201 CO 0.35 0.26 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.72 3ghb s VAL 202 N -0.87 1.37 0.31 3.82 1.01 -0.51 -4.98 120.40 120.55 3ghb s VAL 202 Ca 0.11 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.62 3ghb s VAL 202 Cb -0.10 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3ghb s VAL 202 CO 0.03 0.42 0.04 -0.70 0.00 0.00 0.00 175.10 174.88 3ghb s GLU 203 N 1.06 2.23 -0.10 2.72 2.12 -1.26 -0.64 118.70 124.83 3ghb s GLU 203 Ca -0.06 -1.57 -0.15 0.00 0.36 0.00 0.00 54.97 53.56 3ghb s GLU 203 Cb -0.15 -2.08 0.03 0.00 0.26 0.00 0.00 34.13 32.20 3ghb s GLU 203 CO -0.02 0.22 0.37 0.21 -0.54 0.00 0.00 175.26 175.50 3ghb s LYS 204 N -3.73 0.55 0.04 4.30 2.47 0.05 -4.97 119.74 118.44 3ghb s LYS 204 Ca 0.34 0.27 0.01 0.00 -1.56 0.00 0.00 55.97 55.04 3ghb s LYS 204 Cb -0.03 0.26 -0.03 0.00 -1.46 0.00 0.00 37.83 36.57 3ghb s LYS 204 CO 0.20 -0.11 -0.05 0.99 0.16 0.00 0.00 175.35 176.54 3ghb s THR 205 N -0.37 0.35 -0.00 3.43 2.01 -1.26 -0.41 115.64 119.38 3ghb s THR 205 Ca -0.05 -1.18 0.01 0.00 0.31 0.00 0.00 61.69 60.78 3ghb s THR 205 Cb -0.03 -0.68 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 3ghb s THR 205 CO 0.02 -0.55 -0.03 0.68 -0.69 0.00 0.00 174.62 174.05 3ghb s VAL 206 N -1.93 0.23 -0.16 3.82 -7.23 -0.60 -5.01 120.40 109.52 3ghb s VAL 206 Ca -0.08 -0.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 3ghb s VAL 206 Cb -0.06 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.69 3ghb s VAL 206 CO -0.02 0.05 -0.20 0.00 -0.31 0.00 0.00 175.10 174.62 3ghb s ALA 207 N -0.10 2.32 0.51 1.32 0.00 -1.26 -1.46 121.76 123.09 3ghb s ALA 207 Ca 0.01 -1.13 0.34 0.00 0.00 0.00 0.00 51.96 51.19 3ghb s ALA 207 Cb -0.01 -1.10 1.49 0.00 0.00 0.00 0.00 23.12 23.50 3ghb s ALA 207 CO -0.00 -0.13 1.77 -1.35 0.00 0.00 0.00 175.76 176.04 3ghb h PRO 208 N 7.52 0.07 0.00 0.00 0.11 -1.85 0.42 132.00 138.27 3ghb h PRO 208 Ca -0.37 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.57 3ghb h PRO 208 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3ghb h PRO 208 CO 0.58 0.05 -0.80 1.79 -0.21 0.00 0.00 178.00 179.41 3ghb h THR 209 N 0.07 1.52 0.00 -1.15 1.35 -1.93 -3.11 112.91 109.67 3ghb h THR 209 Ca 0.62 -2.78 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 3ghb h THR 209 Cb 2.29 2.52 -0.00 0.00 -1.73 0.00 0.00 68.15 71.23 3ghb h THR 209 CO -0.08 0.78 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.80 3ghb h GLU 210 N 0.00 0.00 0.00 4.72 4.57 -0.55 -3.56 114.58 119.76 3ghb h GLU 210 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3ghb h GLU 210 Cb 1.46 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3ghb h GLU 210 CO 0.10 0.09 0.00 0.00 -1.18 0.00 0.00 179.01 178.03