#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 6.33 0.17 2.61 0.01 -1.26 -4.96 113.70 116.60 3ghb s SER 2 Ca 0.00 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 58.95 3ghb s SER 2 Cb 0.00 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.76 3ghb s SER 2 CO 0.00 -0.79 1.80 0.58 0.41 0.00 0.00 173.24 175.24 3ghb h VAL 3 N 1.26 1.17 -3.18 3.43 2.07 -1.95 -3.40 116.25 115.66 3ghb h VAL 3 Ca -0.48 -0.40 -0.66 0.00 0.82 0.00 0.00 66.70 65.98 3ghb h VAL 3 Cb 1.21 0.42 -0.14 0.00 -1.52 0.00 0.00 31.29 31.26 3ghb h VAL 3 CO 0.59 0.18 -0.58 -0.76 0.02 0.00 0.00 177.57 177.02 3ghb s LEU 4 N -10.03 3.77 -0.22 2.57 1.43 -1.14 -4.79 118.68 110.28 3ghb s LEU 4 Ca -0.13 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 3ghb s LEU 4 Cb 0.13 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3ghb s LEU 4 CO 0.76 0.32 0.13 -0.89 0.23 0.00 0.00 176.35 176.90 3ghb s THR 5 N -0.52 5.26 0.07 5.49 2.01 0.34 -3.16 115.64 125.13 3ghb s THR 5 Ca 0.10 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.29 3ghb s THR 5 Cb -0.12 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3ghb s THR 5 CO 0.02 0.39 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.10 3ghb s GLN 6 N 0.75 0.84 0.40 4.92 -0.21 -1.26 -0.84 119.66 124.25 3ghb s GLN 6 Ca 0.07 -0.98 -0.26 0.00 0.02 0.00 0.00 55.36 54.22 3ghb s GLN 6 Cb -0.13 -0.85 -0.09 0.00 1.00 0.00 0.00 33.01 32.95 3ghb s GLN 6 CO 0.02 0.19 1.25 -1.25 -2.12 0.00 0.00 175.29 173.37 3ghb s PRO 7 N -1.79 4.02 0.39 2.91 0.04 -1.26 -4.83 135.00 134.48 3ghb s PRO 7 Ca -0.01 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.15 3ghb s PRO 7 Cb -0.10 -2.74 0.87 0.00 0.04 0.00 0.00 34.50 32.57 3ghb s PRO 7 CO 0.02 -0.41 1.97 -1.35 0.04 0.00 0.00 177.00 177.28 3ghb h PRO 8 N 2.70 0.58 -3.12 0.56 0.11 -1.97 -3.37 132.00 127.48 3ghb h PRO 8 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3ghb h PRO 8 Cb 1.24 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 32.10 3ghb h PRO 8 CO 0.63 0.38 0.13 -1.54 -0.21 0.00 0.00 178.00 177.38 3ghb s SER 9 N -6.23 -0.46 0.06 -2.05 1.04 -1.26 -1.56 113.70 103.24 3ghb s SER 9 Ca -0.09 -0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 3ghb s SER 9 Cb 0.19 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.91 3ghb s SER 9 CO 0.76 -0.95 0.34 0.54 0.98 0.00 0.00 173.24 174.90 3ghb s VAL 11 N -3.77 0.08 0.16 5.02 0.11 -0.52 -4.89 120.40 116.58 3ghb s VAL 11 Ca 0.02 -0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 58.25 3ghb s VAL 11 Cb -0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 3ghb s VAL 11 CO -0.12 -0.35 0.49 -0.94 -3.33 0.00 0.00 175.10 170.85 3ghb s SER 12 N -2.19 -0.31 -0.12 3.54 1.04 -1.26 -1.12 113.70 113.28 3ghb s SER 12 Ca -0.03 -0.32 -0.33 0.00 0.48 0.00 0.00 55.95 55.74 3ghb s SER 12 Cb -0.00 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.79 3ghb s SER 12 CO -0.05 -0.96 1.22 0.00 0.98 0.00 0.00 173.24 174.43 3ghb s ALA 13 N -3.82 -2.11 0.71 5.32 0.00 -1.03 -4.98 121.76 115.84 3ghb s ALA 13 Ca 0.05 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 3ghb s ALA 13 Cb 0.00 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.23 3ghb s ALA 13 CO -0.08 -0.76 1.07 0.00 0.00 0.00 0.00 175.76 175.98 3ghb s ALA 14 N -2.46 2.95 0.57 0.00 0.00 -1.26 -1.34 121.76 120.21 3ghb s ALA 14 Ca 0.11 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.32 3ghb s ALA 14 Cb 0.01 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3ghb s ALA 14 CO -0.04 -1.21 1.36 -2.14 0.00 0.00 0.00 175.76 173.73 3ghb s PRO 15 N -5.32 2.98 0.00 0.00 0.02 -1.26 -2.08 135.00 129.34 3ghb s PRO 15 Ca 0.58 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.83 3ghb s PRO 15 Cb -0.11 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3ghb s PRO 15 CO 0.49 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 3ghb n GLY 16 N 0.78 2.77 0.69 0.52 0.00 0.32 -4.84 105.19 105.43 3ghb n GLY 16 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.13 -4.17 1.61 1.13 -0.88 -4.09 117.38 109.10 3ghb n GLN 17 Ca 0.00 -0.43 -0.14 0.00 -1.94 0.00 0.00 57.00 54.49 3ghb n GLN 17 Cb 0.00 -0.18 -0.11 0.00 0.11 0.00 0.00 30.24 30.06 3ghb n GLN 17 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3ghb s LYS 18 N -3.19 0.83 0.08 -1.09 3.01 -1.26 -1.56 119.74 116.56 3ghb s LYS 18 Ca 0.13 -1.14 -0.09 0.00 -1.01 0.00 0.00 55.97 53.86 3ghb s LYS 18 Cb -0.01 -0.53 -0.00 0.00 -1.01 0.00 0.00 37.83 36.29 3ghb s LYS 18 CO 0.09 0.08 0.18 0.14 0.51 0.00 0.00 175.35 176.35 3ghb s VAL 19 N -2.39 0.14 0.03 3.17 -7.23 -0.77 -4.96 120.40 108.38 3ghb s VAL 19 Ca 0.05 -1.15 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3ghb s VAL 19 Cb -0.03 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3ghb s VAL 19 CO -0.00 -0.63 -0.15 0.42 -0.31 0.00 0.00 175.10 174.43 3ghb s THR 20 N -3.60 1.21 -0.18 5.32 -4.23 -1.26 -1.69 115.64 111.20 3ghb s THR 20 Ca 0.03 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3ghb s THR 20 Cb 0.04 -1.07 0.04 0.00 1.34 0.00 0.00 72.50 72.85 3ghb s THR 20 CO -0.10 0.10 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.34 3ghb s ILE 21 N -0.75 1.61 0.35 2.99 1.01 -0.07 -4.96 121.20 121.38 3ghb s ILE 21 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.65 3ghb s ILE 21 Cb -0.08 -1.64 -0.09 0.00 0.01 0.00 0.00 42.46 40.67 3ghb s ILE 21 CO 0.01 0.26 0.76 -0.94 0.00 0.00 0.00 174.94 175.02 3ghb s SER 22 N 1.43 6.73 -0.18 3.58 1.04 -1.26 -1.54 113.70 123.48 3ghb s SER 22 Ca 0.01 1.27 -0.05 0.00 0.48 0.00 0.00 55.95 57.67 3ghb s SER 22 Cb -0.15 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.66 3ghb s SER 22 CO -0.09 -0.26 0.08 0.00 0.98 0.00 0.00 173.24 173.96 3ghb s SER 24 N 2.09 5.92 0.00 0.00 0.15 -0.02 -0.85 113.70 120.99 3ghb s SER 24 Ca 0.02 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.86 3ghb s SER 24 Cb -0.16 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3ghb s SER 24 CO -0.11 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.16 3ghb n GLY 25 N 3.25 5.53 0.00 9.45 0.00 0.54 -0.50 105.19 123.45 3ghb n GLY 25 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.83 113.62 112.55 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 -1.20 -0.16 0.00 0.00 175.04 173.68 3ghb n SER 27 N 0.00 0.00 0.00 4.04 7.64 -1.26 -1.05 113.62 122.99 3ghb n SER 27 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ghb n SER 27 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3ghb n SER 27 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ghb n ASN 27 N 0.00 0.00 -0.27 6.43 0.23 -1.26 -0.72 115.26 119.67 3ghb n ASN 27 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 3ghb n ASN 27 Cb 0.00 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 37.86 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 0.86 -0.82 1.53 2.04 -1.80 -0.87 117.51 118.44 3ghb h ILE 28 Ca 0.00 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3ghb h ILE 28 Cb 0.00 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 3ghb h ILE 28 CO 0.00 0.13 0.48 1.23 0.00 0.00 0.00 178.15 179.98 3ghb h GLY 29 N 0.69 1.27 0.37 5.37 0.00 -1.21 -3.15 103.07 106.41 3ghb h GLY 29 Ca 0.39 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3ghb h GLY 29 CO -0.27 0.15 -1.71 0.70 0.00 0.00 0.00 176.54 175.40 3ghb n ASN 30 N -4.73 0.32 -3.01 0.19 3.02 -1.05 -4.97 115.26 105.03 3ghb n ASN 30 Ca 0.13 0.13 -0.12 0.00 -0.03 0.00 0.00 54.58 54.69 3ghb n ASN 30 Cb 0.26 1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 40.69 3ghb n ASN 30 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ghb n ASN 31 N -2.49 2.52 -4.84 6.41 3.02 -0.36 -5.07 115.26 114.45 3ghb n ASN 31 Ca -0.07 -1.84 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 3ghb n ASN 31 Cb 0.65 0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.90 3ghb n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ghb s TYR 32 N -1.68 3.73 0.00 3.10 1.51 -1.26 -4.75 117.35 118.00 3ghb s TYR 32 Ca 0.00 1.02 -0.15 0.00 -1.01 0.00 0.00 57.07 56.93 3ghb s TYR 32 Cb -0.00 -2.31 -0.06 0.00 -0.11 0.00 0.00 41.96 39.48 3ghb s TYR 32 CO 0.00 0.63 0.42 0.08 -1.11 0.00 0.00 175.55 175.56 3ghb s VAL 33 N -1.11 5.01 0.17 0.71 1.01 -1.26 -4.49 120.40 120.45 3ghb s VAL 33 Ca 0.25 0.86 0.11 0.00 0.00 0.00 0.00 61.98 63.20 3ghb s VAL 33 Cb -0.17 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3ghb s VAL 33 CO 0.14 0.58 -0.24 -0.76 0.00 0.00 0.00 175.10 174.82 3ghb s LEU 34 N -1.08 2.41 -0.01 3.92 1.43 0.80 -1.32 118.68 124.82 3ghb s LEU 34 Ca 0.24 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3ghb s LEU 34 Cb -0.17 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 3ghb s LEU 34 CO 0.14 0.11 -0.10 0.26 0.23 0.00 0.00 176.35 176.99 3ghb s TRP 35 N -1.57 0.92 0.10 0.29 0.52 -0.45 -0.91 118.94 117.83 3ghb s TRP 35 Ca 0.18 -0.18 0.08 0.00 0.02 0.00 0.00 56.10 56.21 3ghb s TRP 35 Cb -0.08 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.60 3ghb s TRP 35 CO 0.09 -0.03 -0.21 0.71 0.02 0.00 0.00 176.95 177.53 3ghb s TYR 36 N -0.19 1.83 -0.08 -1.98 2.02 0.15 -0.66 117.35 118.44 3ghb s TYR 36 Ca 0.03 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 3ghb s TYR 36 Cb -0.04 -1.01 -0.02 0.00 -0.40 0.00 0.00 41.96 40.49 3ghb s TYR 36 CO -0.00 0.21 -0.17 -1.14 -1.57 0.00 0.00 175.55 172.88 3ghb s GLN 37 N -1.85 2.87 -0.03 -0.62 0.74 0.04 -1.77 119.66 119.05 3ghb s GLN 37 Ca 0.07 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 54.74 3ghb s GLN 37 Cb -0.10 -2.42 0.03 0.00 1.10 0.00 0.00 33.01 31.62 3ghb s GLN 37 CO 0.04 0.40 0.02 -1.14 -0.55 0.00 0.00 175.29 174.06 3ghb s GLN 38 N -0.16 0.06 0.15 1.67 0.74 0.64 -0.41 119.66 122.35 3ghb s GLN 38 Ca -0.02 0.18 0.03 0.00 0.05 0.00 0.00 55.36 55.60 3ghb s GLN 38 Cb -0.14 -0.35 -0.03 0.00 1.10 0.00 0.00 33.01 33.59 3ghb s GLN 38 CO 0.03 -0.18 0.28 -0.06 -0.55 0.00 0.00 175.29 174.82 3ghb s PHE 39 N 1.18 3.48 0.18 1.67 0.08 -1.26 -1.65 117.98 121.66 3ghb s PHE 39 Ca -0.08 0.11 -0.33 0.00 0.12 0.00 0.00 56.93 56.76 3ghb s PHE 39 Cb -0.13 -1.66 -0.15 0.00 -0.57 0.00 0.00 43.02 40.51 3ghb s PHE 39 CO -0.03 0.51 1.35 -2.30 -0.10 0.00 0.00 175.22 174.66 3ghb n PRO 40 N -0.57 1.67 -1.92 0.24 -0.02 -1.26 -1.86 135.00 131.28 3ghb n PRO 40 Ca -0.07 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3ghb n PRO 40 Cb 0.54 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.37 0.93 3.13 -1.23 0.00 -1.26 -4.98 105.19 104.15 3ghb n GLY 41 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.85 0.87 0.53 2.61 2.01 -0.78 -5.14 115.64 112.89 3ghb s THR 42 Ca 0.00 -1.24 -0.21 0.00 0.31 0.00 0.00 61.69 60.55 3ghb s THR 42 Cb 0.00 -0.91 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 3ghb s THR 42 CO 0.00 -0.31 1.18 0.00 -0.69 0.00 0.00 174.62 174.80 3ghb s ALA 43 N -1.41 2.76 0.45 7.40 0.00 -1.26 -4.49 121.76 125.21 3ghb s ALA 43 Ca -0.05 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.62 3ghb s ALA 43 Cb -0.09 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3ghb s ALA 43 CO 0.01 -0.89 1.42 -2.30 0.00 0.00 0.00 175.76 174.00 3ghb n PRO 44 N -1.08 2.20 -4.90 0.00 -0.02 -1.26 -4.72 135.00 125.22 3ghb n PRO 44 Ca 0.11 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 62.04 3ghb n PRO 44 Cb 0.49 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 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 -2.46 3.25 0.01 -0.52 2.20 0.45 -4.94 119.74 117.75 3ghb s LYS 45 Ca 0.62 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 55.17 3ghb s LYS 45 Cb -0.45 -2.52 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 3ghb s LYS 45 CO 0.57 0.18 1.64 -1.17 -0.36 0.00 0.00 175.35 176.21 3ghb s LEU 46 N 0.40 4.35 -0.22 5.43 2.96 -1.26 -0.78 118.68 129.56 3ghb s LEU 46 Ca -0.13 2.36 -0.03 0.00 -0.22 0.00 0.00 54.13 56.11 3ghb s LEU 46 Cb -0.17 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 3ghb s LEU 46 CO 0.06 -0.89 -0.22 0.18 -1.32 0.00 0.00 176.35 174.16 3ghb n LEU 47 N 6.26 2.50 -3.88 -0.68 4.77 0.17 -4.77 117.00 121.37 3ghb n LEU 47 Ca 0.16 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3ghb n LEU 47 Cb 0.42 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 3ghb n LEU 47 CO 0.62 0.72 -0.34 -0.63 -1.33 0.00 0.00 177.39 176.43 3ghb s ILE 48 N -2.42 0.01 0.05 -0.08 -1.09 -1.08 -4.11 121.20 112.48 3ghb s ILE 48 Ca -0.30 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 3ghb s ILE 48 Cb 0.09 -0.06 -0.04 0.00 -1.58 0.00 0.00 42.46 40.87 3ghb s ILE 48 CO 0.46 -0.06 -0.03 -0.72 -1.23 0.00 0.00 174.94 173.35 3ghb s TYR 49 N -0.17 0.49 -1.41 3.97 1.13 0.34 -1.35 117.35 120.35 3ghb s TYR 49 Ca -0.02 -0.97 -0.07 0.00 -1.41 0.00 0.00 57.07 54.60 3ghb s TYR 49 Cb -0.01 -0.36 0.01 0.00 -1.10 0.00 0.00 41.96 40.49 3ghb s TYR 49 CO -0.00 -0.34 0.86 0.41 -2.51 0.00 0.00 175.55 173.97 3ghb n GLY 50 N 0.36 -0.48 4.85 5.49 0.00 -1.19 -0.27 105.19 113.95 3ghb n GLY 50 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.60 0.00 -0.41 1.61 3.02 -0.44 -4.10 115.26 112.34 3ghb n ASN 51 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3ghb n ASN 51 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 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 2.03 0.00 -4.85 6.41 0.23 -1.20 -3.16 115.26 114.72 3ghb n ASN 52 Ca 0.00 -1.67 -0.37 0.00 -0.53 0.00 0.00 54.58 52.01 3ghb n ASN 52 Cb 0.00 -0.13 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 3ghb n ASN 52 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3ghb s LYS 53 N 0.00 3.68 -0.17 -3.83 1.02 0.63 -4.63 119.74 116.45 3ghb s LYS 53 Ca 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 3ghb s LYS 53 Cb 0.00 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3ghb s LYS 53 CO 0.00 0.70 0.08 1.03 -0.92 0.00 0.00 175.35 176.24 3ghb s ARG 54 N -0.91 3.85 0.78 1.68 0.52 -1.26 -0.51 118.95 123.11 3ghb s ARG 54 Ca 0.18 -0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 3ghb s ARG 54 Cb -0.14 -3.21 0.06 0.00 0.52 0.00 0.00 34.95 32.18 3ghb s ARG 54 CO 0.07 0.40 1.09 -2.14 0.02 0.00 0.00 175.30 174.73 3ghb s PRO 55 N 0.04 2.19 0.35 3.54 0.02 -1.26 -4.92 135.00 134.95 3ghb s PRO 55 Ca 0.07 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 61.82 3ghb s PRO 55 Cb -0.12 -1.90 -0.11 0.00 0.02 0.00 0.00 34.50 32.39 3ghb s PRO 55 CO 0.00 -1.65 1.53 0.45 -0.33 0.00 0.00 177.00 177.01 3ghb s SER 56 N -3.52 6.35 0.00 2.53 0.15 -1.26 -2.23 113.70 115.71 3ghb s SER 56 Ca 0.61 3.02 0.00 0.00 0.70 0.00 0.00 55.95 60.28 3ghb s SER 56 Cb -0.16 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 3ghb s SER 56 CO 0.56 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3ghb n GLY 57 N 1.10 2.70 3.59 9.45 0.00 -1.26 -5.04 105.19 115.73 3ghb n GLY 57 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.62 4.82 0.72 -0.61 -1.09 -0.95 -5.04 121.20 116.43 3ghb s ILE 58 Ca 0.00 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.10 3ghb s ILE 58 Cb 0.00 -4.13 0.03 0.00 -1.58 0.00 0.00 42.46 36.78 3ghb s ILE 58 CO 0.00 -0.33 1.14 -2.16 -1.23 0.00 0.00 174.94 172.36 3ghb s PRO 59 N 2.89 2.36 0.00 2.79 0.04 -1.26 -4.81 135.00 137.00 3ghb s PRO 59 Ca 0.28 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.86 3ghb s PRO 59 Cb -0.14 -1.89 0.27 0.00 0.04 0.00 0.00 34.50 32.78 3ghb s PRO 59 CO 0.15 -1.61 0.64 -0.40 0.04 0.00 0.00 177.00 175.81 3ghb n ASP 60 N -2.83 0.00 0.21 6.66 5.68 -1.26 -1.67 116.55 123.34 3ghb n ASP 60 Ca 0.11 -0.32 0.07 0.00 -0.50 0.00 0.00 54.79 54.15 3ghb n ASP 60 Cb 0.52 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.96 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 -5.70 0.11 3.08 -1.90 -3.41 114.38 106.56 3ghb h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3ghb h ARG 61 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3ghb h ARG 61 CO 0.00 0.29 -0.18 -0.06 -1.07 0.00 0.00 179.97 178.96 3ghb s PHE 62 N -3.96 3.51 0.04 3.04 0.40 -0.67 -1.98 117.98 118.36 3ghb s PHE 62 Ca -0.02 0.84 -0.07 0.00 -0.60 0.00 0.00 56.93 57.08 3ghb s PHE 62 Cb 0.13 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 3ghb s PHE 62 CO 0.67 0.19 0.14 -1.54 0.70 0.00 0.00 175.22 175.38 3ghb s SER 63 N 0.55 0.12 0.08 1.36 1.04 -0.39 -4.96 113.70 111.51 3ghb s SER 63 Ca 0.24 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3ghb s SER 63 Cb -0.15 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 3ghb s SER 63 CO 0.09 -0.54 -0.06 -0.83 0.98 0.00 0.00 173.24 172.88 3ghb s GLY 64 N -2.16 0.68 0.05 7.32 0.00 -1.26 0.12 107.32 112.06 3ghb s GLY 64 Ca -0.04 -1.23 -0.20 0.00 0.00 0.00 0.00 44.72 43.24 3ghb s GLY 64 CO -0.05 -1.33 0.47 -1.35 0.00 0.00 0.00 173.10 170.85 3ghb s SER 65 N -2.78 -0.37 -0.02 1.64 1.04 -0.58 -4.37 113.70 108.26 3ghb s SER 65 Ca 0.07 0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.63 3ghb s SER 65 Cb 0.03 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.61 3ghb s SER 65 CO -0.05 -0.70 -0.10 -0.75 0.98 0.00 0.00 173.24 172.62 3ghb s LYS 66 N -2.47 1.00 -0.21 4.02 2.20 -1.26 -0.43 119.74 122.58 3ghb s LYS 66 Ca -0.05 -0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3ghb s LYS 66 Cb -0.01 -0.94 0.10 0.00 -1.51 0.00 0.00 37.83 35.48 3ghb s LYS 66 CO -0.02 0.17 0.25 0.45 -0.36 0.00 0.00 175.35 175.84 3ghb s SER 67 N 0.00 1.22 1.49 1.43 0.15 0.49 -4.99 113.70 113.48 3ghb s SER 67 Ca -0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3ghb s SER 67 Cb -0.07 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 3ghb s SER 67 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 3ghb n GLY 68 N 5.33 3.16 1.52 9.45 0.00 -1.26 -2.42 105.19 120.97 3ghb n GLY 68 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 2.67 -4.14 2.61 -2.24 -1.26 -3.91 114.28 108.00 3ghb n THR 69 Ca 0.00 -1.86 -0.11 0.00 -2.27 0.00 0.00 64.05 59.81 3ghb n THR 69 Cb 0.00 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 3ghb n THR 69 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ghb s SER 70 N -1.52 1.01 0.11 3.42 0.01 -1.02 -0.34 113.70 115.37 3ghb s SER 70 Ca 0.50 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.87 3ghb s SER 70 Cb 0.40 0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 3ghb s SER 70 CO 0.10 -0.42 -0.05 0.00 0.41 0.00 0.00 173.24 173.28 3ghb s ALA 71 N -3.13 1.05 0.00 1.44 0.00 -0.03 -0.38 121.76 120.72 3ghb s ALA 71 Ca 0.06 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 3ghb s ALA 71 Cb 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 3ghb s ALA 71 CO -0.04 -0.25 0.00 0.99 0.00 0.00 0.00 175.76 176.46 3ghb s THR 72 N -3.64 0.03 -0.18 0.00 2.01 0.43 -1.05 115.64 113.25 3ghb s THR 72 Ca 0.14 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 3ghb s THR 72 Cb 0.05 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.45 3ghb s THR 72 CO -0.03 -0.16 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.43 3ghb s LEU 73 N -0.46 2.74 -0.05 4.42 2.96 -0.59 -1.52 118.68 126.17 3ghb s LEU 73 Ca -0.05 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3ghb s LEU 73 Cb -0.03 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3ghb s LEU 73 CO -0.00 0.06 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.18 3ghb s GLY 74 N 0.97 1.68 -0.09 7.98 0.00 0.12 -0.90 107.32 117.09 3ghb s GLY 74 Ca -0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3ghb s GLY 74 CO -0.01 -0.72 -0.00 -0.42 0.00 0.00 0.00 173.10 171.95 3ghb s ILE 75 N -0.83 0.45 0.38 0.90 1.01 -0.68 -1.26 121.20 121.17 3ghb s ILE 75 Ca 0.13 0.01 0.08 0.00 0.00 0.00 0.00 60.65 60.86 3ghb s ILE 75 Cb -0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3ghb s ILE 75 CO 0.02 0.22 0.25 0.42 0.00 0.00 0.00 174.94 175.85 3ghb s THR 76 N 1.94 2.84 -1.38 2.92 -4.23 -0.84 -1.85 115.64 115.03 3ghb s THR 76 Ca 0.04 -1.53 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3ghb s THR 76 Cb -0.13 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.71 3ghb s THR 76 CO -0.06 -0.08 0.78 0.61 -0.54 0.00 0.00 174.62 175.32 3ghb n GLY 77 N -1.33 -0.35 3.53 3.99 0.00 -0.94 -4.81 105.19 105.28 3ghb n GLY 77 Ca -0.00 0.15 -0.57 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.42 0.53 -4.47 0.99 4.77 -0.60 -4.42 117.00 109.38 3ghb n LEU 78 Ca -0.19 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.61 3ghb n LEU 78 Cb 0.63 -1.01 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 3ghb n LEU 78 CO 0.71 -1.63 -0.46 -1.10 -1.33 0.00 0.00 177.39 173.58 3ghb s GLN 79 N 0.15 2.48 0.59 3.23 -1.52 -1.26 -0.52 119.66 122.81 3ghb s GLN 79 Ca 0.89 -0.71 0.29 0.00 -1.95 0.00 0.00 55.36 53.87 3ghb s GLN 79 Cb -1.16 -2.36 1.54 0.00 -0.22 0.00 0.00 33.01 30.81 3ghb s GLN 79 CO 0.54 0.62 1.97 1.79 -0.25 0.00 0.00 175.29 179.96 3ghb h THR 80 N 4.35 0.40 0.00 -0.19 1.35 -1.94 0.72 112.91 117.61 3ghb h THR 80 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3ghb h THR 80 Cb 1.15 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3ghb h THR 80 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3ghb n GLY 81 N -1.46 -0.92 0.03 5.82 0.00 -1.26 -2.45 105.19 104.94 3ghb n GLY 81 Ca 0.06 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.43 0.47 -4.61 1.61 8.00 0.25 -4.84 116.55 116.00 3ghb n ASP 82 Ca 0.05 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 3ghb n ASP 82 Cb 0.15 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3ghb n ASP 82 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3ghb n GLU 83 N -1.75 2.12 -2.55 -1.24 2.13 -1.02 -4.80 120.64 113.53 3ghb n GLU 83 Ca 0.05 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3ghb n GLU 83 Cb 0.37 -3.14 0.01 0.00 0.27 0.00 0.00 31.44 28.95 3ghb n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ghb n ALA 84 N 10.58 -1.23 -2.86 4.31 0.00 -1.09 -4.98 120.51 125.24 3ghb n ALA 84 Ca 0.28 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3ghb n ALA 84 Cb 0.42 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.00 6.23 -0.06 0.00 1.01 -0.66 -0.66 116.67 120.53 3ghb s ASP 85 Ca 0.10 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.77 3ghb s ASP 85 Cb -0.00 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.97 3ghb s ASP 85 CO 0.00 0.35 -0.12 -0.31 0.21 0.00 0.00 175.17 175.31 3ghb s TYR 86 N -1.12 1.41 0.02 4.23 2.02 -0.00 -0.26 117.35 123.64 3ghb s TYR 86 Ca 0.19 -0.49 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3ghb s TYR 86 Cb -0.12 -1.03 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 3ghb s TYR 86 CO 0.09 -0.25 -0.06 -0.59 -1.57 0.00 0.00 175.55 173.18 3ghb s PHE 87 N 0.58 0.48 0.44 2.71 -0.71 -0.73 -0.54 117.98 120.22 3ghb s PHE 87 Ca -0.13 -0.28 -0.02 0.00 -1.04 0.00 0.00 56.93 55.46 3ghb s PHE 87 Cb -0.15 -0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 41.34 3ghb s PHE 87 CO 0.03 -0.05 0.69 0.00 -1.34 0.00 0.00 175.22 174.54 3ghb s ALA 89 N -2.58 -1.75 0.00 0.00 0.00 -0.09 -1.46 121.76 115.88 3ghb s ALA 89 Ca 0.46 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3ghb s ALA 89 Cb -0.10 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3ghb s ALA 89 CO 0.40 -0.44 0.00 -2.37 0.00 0.00 0.00 175.76 173.35 3ghb n THR 90 N 0.67 0.00 -4.36 0.00 5.66 -0.89 -0.14 114.28 115.22 3ghb n THR 90 Ca -0.18 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 3ghb n THR 90 Cb 0.58 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 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 -5.79 1.78 0.33 1.09 -2.14 -1.26 -0.29 118.94 112.66 3ghb s TRP 91 Ca 0.00 -0.53 -0.14 0.00 2.66 0.00 0.00 56.10 58.09 3ghb s TRP 91 Cb 0.00 -0.83 -0.08 0.00 -3.10 0.00 0.00 33.47 29.46 3ghb s TRP 91 CO 0.00 0.39 0.72 0.34 -2.66 0.00 0.00 176.95 175.74 3ghb s ASP 92 N -3.25 6.72 0.00 -2.66 2.15 0.94 -4.43 116.67 116.15 3ghb s ASP 92 Ca 0.22 1.22 0.16 0.00 0.43 0.00 0.00 52.55 54.59 3ghb s ASP 92 Cb -0.02 -2.35 0.55 0.00 -0.30 0.00 0.00 42.92 40.80 3ghb s ASP 92 CO 0.08 -0.22 1.41 -1.20 -0.17 0.00 0.00 175.17 175.07 3ghb n SER 93 N -0.48 1.76 -3.56 -0.34 7.64 0.10 -4.24 113.62 114.51 3ghb n SER 93 Ca 0.03 -1.84 -0.28 0.00 1.01 0.00 0.00 58.87 57.79 3ghb n SER 93 Cb 0.53 -0.17 0.22 0.00 -1.01 0.00 0.00 64.21 63.79 3ghb n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ghb n GLY 94 N 1.09 -2.40 0.32 0.23 0.00 -1.26 -4.88 105.19 98.30 3ghb n GLY 94 Ca 0.14 -1.55 0.19 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 0.00 -1.18 0.99 3.38 -2.03 -2.41 115.31 114.06 3ghb h LEU 95 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3ghb h LEU 95 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ghb h LEU 95 CO 0.26 0.00 -0.17 -1.54 0.09 0.00 0.00 178.44 177.08 3ghb n SER 95 N -3.45 1.85 -4.03 -0.43 3.41 -1.26 -5.01 113.62 104.71 3ghb n SER 95 Ca -0.03 -1.43 -0.31 0.00 -0.26 0.00 0.00 58.87 56.84 3ghb n SER 95 Cb 0.08 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 3ghb n SER 95 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ghb n ALA 95 N 0.29 -2.20 -1.77 7.33 0.00 -0.91 -4.87 120.51 118.38 3ghb n ALA 95 Ca 0.07 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 3ghb n ALA 95 Cb 0.34 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 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 -4.10 6.43 0.24 0.00 1.11 -1.26 -4.58 116.67 114.51 3ghb s ASP 95 Ca 0.16 2.84 -0.30 0.00 0.18 0.00 0.00 52.55 55.43 3ghb s ASP 95 Cb -0.07 -2.65 -0.09 0.00 1.07 0.00 0.00 42.92 41.17 3ghb s ASP 95 CO 0.93 -0.79 1.06 0.26 1.18 0.00 0.00 175.17 177.81 3ghb s TRP 96 N -1.16 3.69 0.10 4.23 0.52 -1.26 -0.04 118.94 125.01 3ghb s TRP 96 Ca 0.53 1.73 0.07 0.00 0.02 0.00 0.00 56.10 58.45 3ghb s TRP 96 Cb -0.42 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 28.66 3ghb s TRP 96 CO 0.56 -0.30 -0.18 0.14 0.02 0.00 0.00 176.95 177.19 3ghb s VAL 97 N -0.89 1.51 0.13 4.03 -7.23 0.61 -4.88 120.40 113.67 3ghb s VAL 97 Ca 0.45 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.13 3ghb s VAL 97 Cb -0.30 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 3ghb s VAL 97 CO 0.37 -0.18 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.51 3ghb s PHE 98 N -1.40 1.25 0.54 2.82 0.08 -1.26 -2.09 117.98 117.92 3ghb s PHE 98 Ca 0.05 -0.67 -0.07 0.00 0.12 0.00 0.00 56.93 56.36 3ghb s PHE 98 Cb -0.09 -0.65 -0.03 0.00 -0.57 0.00 0.00 43.02 41.68 3ghb s PHE 98 CO 0.04 0.08 0.89 0.20 -0.10 0.00 0.00 175.22 176.33 3ghb s GLY 99 N -2.77 1.57 0.47 4.36 0.00 -0.54 -2.90 107.32 107.51 3ghb s GLY 99 Ca 0.11 -0.37 0.32 0.00 0.00 0.00 0.00 44.72 44.78 3ghb s GLY 99 CO 0.01 -0.16 1.95 -1.33 0.00 0.00 0.00 173.10 173.58 3ghb h GLY 100 N -0.02 0.00 0.00 0.20 0.00 -1.88 -3.44 103.07 97.93 3ghb h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 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 -0.32 2.16 3.11 4.60 0.00 -1.26 -5.04 105.19 108.43 3ghb n GLY 101 Ca 0.00 -1.62 -0.29 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 -1.29 1.63 -0.27 2.61 2.01 0.30 -4.49 115.64 116.14 3ghb s THR 102 Ca 0.00 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 3ghb s THR 102 Cb 0.00 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3ghb s THR 102 CO 0.00 0.47 0.64 -0.75 -0.69 0.00 0.00 174.62 174.29 3ghb s LYS 103 N 0.67 4.04 -0.25 4.92 2.47 -0.60 -0.82 119.74 130.17 3ghb s LYS 103 Ca -0.13 0.48 -0.14 0.00 -1.56 0.00 0.00 55.97 54.62 3ghb s LYS 103 Cb -0.16 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.49 3ghb s LYS 103 CO 0.03 -0.48 0.32 -1.17 0.16 0.00 0.00 175.35 174.21 3ghb s LEU 104 N 2.57 4.08 -0.18 5.43 2.96 0.16 -1.44 118.68 132.26 3ghb s LEU 104 Ca 0.26 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.41 3ghb s LEU 104 Cb -0.15 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 3ghb s LEU 104 CO 0.10 -0.09 0.00 -0.89 -1.32 0.00 0.00 176.35 174.15 3ghb s THR 105 N 1.63 4.11 -0.54 3.68 2.01 -0.27 -2.69 115.64 123.57 3ghb s THR 105 Ca 0.14 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 3ghb s THR 105 Cb -0.15 -2.84 0.12 0.00 0.01 0.00 0.00 72.50 69.63 3ghb s THR 105 CO 0.08 0.45 0.52 -0.69 -0.69 0.00 0.00 174.62 174.29 3ghb s VAL 106 N 0.70 5.14 -0.46 3.82 1.01 -1.26 -2.47 120.40 126.88 3ghb s VAL 106 Ca 0.00 -1.33 -0.44 0.00 0.00 0.00 0.00 61.98 60.22 3ghb s VAL 106 Cb -0.14 -4.33 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 3ghb s VAL 106 CO 0.02 -0.87 1.93 0.18 0.00 0.00 0.00 175.10 176.37 3ghb n LEU 106 N 5.44 1.19 0.00 3.92 4.77 -0.45 -4.82 117.00 127.05 3ghb n LEU 106 Ca -0.13 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 3ghb n LEU 106 Cb 0.41 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3ghb n LEU 106 CO 0.54 -0.75 0.34 -1.54 -1.33 0.00 0.00 177.39 174.64 3ghb n SER 107 N 6.41 1.34 -3.51 -1.43 3.41 -1.26 -4.48 113.62 114.10 3ghb n SER 107 Ca 0.43 -1.36 -0.11 0.00 -0.26 0.00 0.00 58.87 57.57 3ghb n SER 107 Cb -0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.36 1.31 0.61 4.33 -2.07 -1.26 -5.15 119.66 117.07 3ghb s GLN 108 Ca 0.00 -0.57 -0.19 0.00 -1.82 0.00 0.00 55.36 52.78 3ghb s GLN 108 Cb 0.00 0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 32.46 3ghb s GLN 108 CO 0.00 -0.57 1.25 -1.25 -1.32 0.00 0.00 175.29 173.41 3ghb s PRO 109 N -3.78 2.84 0.46 9.60 0.04 -1.26 -4.94 135.00 137.96 3ghb s PRO 109 Ca 0.03 1.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 3ghb s PRO 109 Cb -0.01 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 3ghb s PRO 109 CO -0.10 -1.34 1.33 0.15 0.04 0.00 0.00 177.00 177.07 3ghb s LYS 110 N -3.30 3.65 -0.08 4.56 1.02 -1.26 -4.91 119.74 119.43 3ghb s LYS 110 Ca 0.79 2.20 -0.00 0.00 0.02 0.00 0.00 55.97 58.97 3ghb s LYS 110 Cb -0.34 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3ghb s LYS 110 CO 0.37 -0.77 -0.05 0.00 -0.92 0.00 0.00 175.35 173.98 3ghb s ALA 111 N -1.29 0.97 0.59 5.17 0.00 -0.08 -4.96 121.76 122.16 3ghb s ALA 111 Ca 0.63 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 3ghb s ALA 111 Cb -0.39 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 3ghb s ALA 111 CO 0.49 -0.28 1.11 0.00 0.00 0.00 0.00 175.76 177.08 3ghb s ALA 112 N 1.50 2.62 0.47 0.00 0.00 -1.26 -1.69 121.76 123.40 3ghb s ALA 112 Ca -0.01 0.66 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 3ghb s ALA 112 Cb -0.13 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3ghb s ALA 112 CO -0.04 -0.95 1.06 -1.25 0.00 0.00 0.00 175.76 174.58 3ghb s PRO 113 N -3.68 3.83 -0.15 0.00 0.04 -1.26 -4.44 135.00 129.34 3ghb s PRO 113 Ca 0.69 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 3ghb s PRO 113 Cb -0.21 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3ghb s PRO 113 CO 0.33 -0.42 0.32 -1.12 0.04 0.00 0.00 177.00 176.15 3ghb s SER 114 N -1.81 6.48 -0.06 6.66 0.01 0.06 -4.91 113.70 120.13 3ghb s SER 114 Ca 0.65 0.56 0.06 0.00 1.31 0.00 0.00 55.95 58.53 3ghb s SER 114 Cb -0.19 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3ghb s SER 114 CO 0.24 0.08 -0.23 -0.69 0.41 0.00 0.00 173.24 173.04 3ghb s VAL 115 N 0.49 1.93 -0.07 3.43 1.01 -1.26 -1.20 120.40 124.73 3ghb s VAL 115 Ca 0.18 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3ghb s VAL 115 Cb -0.13 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.63 3ghb s VAL 115 CO 0.05 0.54 -0.08 -0.89 0.00 0.00 0.00 175.10 174.72 3ghb s THR 116 N -0.11 0.87 -0.23 3.92 2.01 -0.31 -4.95 115.64 116.83 3ghb s THR 116 Ca -0.04 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3ghb s THR 116 Cb -0.13 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.53 3ghb s THR 116 CO 0.04 0.31 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.99 3ghb s LEU 117 N 1.14 2.99 -0.07 4.42 2.96 -1.26 -0.80 118.68 128.06 3ghb s LEU 117 Ca -0.06 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 3ghb s LEU 117 Cb -0.14 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3ghb s LEU 117 CO -0.01 -0.08 0.09 -0.36 -1.32 0.00 0.00 176.35 174.66 3ghb s PHE 118 N 1.37 3.39 0.69 5.38 0.08 0.18 -4.91 117.98 124.16 3ghb s PHE 118 Ca 0.02 0.33 -0.03 0.00 0.12 0.00 0.00 56.93 57.37 3ghb s PHE 118 Cb -0.16 -1.83 0.09 0.00 -0.57 0.00 0.00 43.02 40.55 3ghb s PHE 118 CO -0.05 0.60 0.97 -1.25 -0.10 0.00 0.00 175.22 175.39 3ghb s PRO 119 N -1.24 1.99 0.32 0.24 0.04 -1.26 -1.65 135.00 133.43 3ghb s PRO 119 Ca 0.17 -0.68 -0.28 0.00 0.04 0.00 0.00 61.00 60.25 3ghb s PRO 119 Cb -0.12 -2.28 -0.10 0.00 0.04 0.00 0.00 34.50 32.05 3ghb s PRO 119 CO 0.07 -1.27 1.17 -1.25 0.04 0.00 0.00 177.00 175.77 3ghb s PRO 120 N -5.14 4.43 0.65 0.56 0.04 -1.21 -4.78 135.00 129.55 3ghb s PRO 120 Ca 0.63 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.47 3ghb s PRO 120 Cb -0.08 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.40 3ghb s PRO 120 CO 0.44 -0.02 1.05 -1.54 0.04 0.00 0.00 177.00 176.97 3ghb s SER 121 N -0.83 5.73 0.39 6.66 1.04 -1.26 -4.90 113.70 120.52 3ghb s SER 121 Ca 0.48 1.62 0.09 0.00 0.48 0.00 0.00 55.95 58.62 3ghb s SER 121 Cb -0.34 -2.50 0.78 0.00 0.10 0.00 0.00 66.02 64.06 3ghb s SER 121 CO 0.44 -1.21 1.93 0.77 0.98 0.00 0.00 173.24 176.15 3ghb h SER 122 N -0.27 0.28 -0.62 7.02 4.64 -1.99 -1.80 113.55 120.82 3ghb h SER 122 Ca -0.45 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 3ghb h SER 122 Cb 1.21 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3ghb h SER 122 CO 0.58 0.39 0.14 -0.33 -0.87 0.00 0.00 176.83 176.74 3ghb h GLU 123 N 0.30 0.99 -0.39 4.77 5.08 -1.99 -2.14 114.58 121.19 3ghb h GLU 123 Ca 0.06 -0.25 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 3ghb h GLU 123 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ghb h GLU 123 CO 0.01 0.91 -0.37 1.49 -1.00 0.00 0.00 179.01 180.06 3ghb h GLU 124 N 0.91 0.94 -0.87 2.33 4.81 -1.73 -2.91 114.58 118.06 3ghb h GLU 124 Ca 0.19 -0.49 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 3ghb h GLU 124 Cb 0.37 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3ghb h GLU 124 CO 0.00 1.15 0.57 -0.07 -0.73 0.00 0.00 179.01 179.93 3ghb h LEU 125 N 0.77 0.96 0.00 1.64 3.38 -1.21 0.12 115.31 120.97 3ghb h LEU 125 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ghb h LEU 125 Cb 0.96 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3ghb h LEU 125 CO 0.09 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.30 3ghb n GLN 126 N -4.42 0.12 -0.58 1.13 6.02 -0.82 -1.19 117.38 117.63 3ghb n GLN 126 Ca 0.11 0.14 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 3ghb n GLN 126 Cb 0.07 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.18 3ghb n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ghb n ALA 127 N -1.41 2.96 -3.03 -1.58 0.00 0.38 -4.94 120.51 112.89 3ghb n ALA 127 Ca 0.07 -1.54 -0.20 0.00 0.00 0.00 0.00 53.44 51.77 3ghb n ALA 127 Cb 0.20 -1.01 0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 1.28 -5.60 -3.99 0.00 5.15 -0.33 -5.02 115.26 106.75 3ghb n ASN 128 Ca 0.26 -0.30 -0.08 0.00 -0.60 0.00 0.00 54.58 53.87 3ghb n ASN 128 Cb 0.85 -4.39 -0.09 0.00 -0.53 0.00 0.00 39.78 35.62 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 -5.67 0.71 -0.14 1.20 1.02 -0.98 -4.64 119.74 111.23 3ghb s LYS 129 Ca 0.32 -1.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.15 3ghb s LYS 129 Cb -0.14 0.27 0.06 0.00 -0.52 0.00 0.00 37.83 37.50 3ghb s LYS 129 CO 0.39 -0.18 0.31 0.00 -0.92 0.00 0.00 175.35 174.96 3ghb s ALA 130 N -3.86 -0.75 -0.08 5.17 0.00 -0.78 -2.92 121.76 118.54 3ghb s ALA 130 Ca 0.06 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.19 3ghb s ALA 130 Cb 0.06 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.25 3ghb s ALA 130 CO -0.10 -0.47 -0.09 0.99 0.00 0.00 0.00 175.76 176.09 3ghb s THR 131 N 1.94 1.00 -0.13 0.00 2.01 -1.26 -0.81 115.64 118.39 3ghb s THR 131 Ca -0.04 -0.35 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 3ghb s THR 131 Cb -0.11 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3ghb s THR 131 CO -0.10 0.34 0.28 -0.76 -0.69 0.00 0.00 174.62 173.69 3ghb s LEU 132 N 1.12 4.31 -0.20 4.42 1.02 0.12 -3.31 118.68 126.16 3ghb s LEU 132 Ca -0.06 0.56 -0.01 0.00 0.02 0.00 0.00 54.13 54.64 3ghb s LEU 132 Cb -0.14 -2.34 0.01 0.00 0.02 0.00 0.00 46.19 43.73 3ghb s LEU 132 CO -0.02 0.19 -0.13 -0.69 0.02 0.00 0.00 176.35 175.73 3ghb s VAL 133 N -0.05 2.67 -0.32 -1.59 1.01 -0.66 -1.66 120.40 119.79 3ghb s VAL 133 Ca 0.17 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3ghb s VAL 133 Cb -0.13 -2.18 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3ghb s VAL 133 CO 0.05 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.68 3ghb s LEU 135 N 1.35 4.15 -0.16 0.00 1.43 0.02 -0.89 118.68 124.58 3ghb s LEU 135 Ca -0.03 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3ghb s LEU 135 Cb -0.19 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 43.96 3ghb s LEU 135 CO 0.01 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 175.93 3ghb s ILE 136 N 0.61 1.81 0.24 -0.59 1.01 0.22 -1.16 121.20 123.34 3ghb s ILE 136 Ca 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3ghb s ILE 136 Cb -0.12 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3ghb s ILE 136 CO 0.00 0.50 0.16 -0.94 0.00 0.00 0.00 174.94 174.67 3ghb s SER 137 N 1.31 0.58 -1.40 3.58 1.04 -0.34 -0.29 113.70 118.18 3ghb s SER 137 Ca 0.03 -1.48 -0.09 0.00 0.48 0.00 0.00 55.95 54.89 3ghb s SER 137 Cb -0.13 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.46 3ghb s SER 137 CO -0.10 -0.89 0.59 0.47 0.98 0.00 0.00 173.24 174.29 3ghb n ASP 138 N -0.59 -4.56 -4.83 7.02 8.00 -0.62 -0.76 116.55 120.21 3ghb n ASP 138 Ca 0.03 -0.41 -0.27 0.00 0.71 0.00 0.00 54.79 54.85 3ghb n ASP 138 Cb 0.65 -3.72 -0.05 0.00 -0.02 0.00 0.00 41.12 37.98 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 -3.05 3.22 -0.27 1.24 -0.71 -0.90 -4.54 117.98 112.97 3ghb s PHE 139 Ca 0.41 0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 56.17 3ghb s PHE 139 Cb -0.21 -1.56 0.08 0.00 -1.21 0.00 0.00 43.02 40.12 3ghb s PHE 139 CO 0.51 0.52 0.67 -0.47 -1.34 0.00 0.00 175.22 175.10 3ghb s TYR 140 N -1.71 -1.02 1.14 3.49 5.04 -0.68 0.01 117.35 123.62 3ghb s TYR 140 Ca 0.32 2.06 -0.13 0.00 -2.44 0.00 0.00 57.07 56.87 3ghb s TYR 140 Cb -0.10 0.59 0.24 0.00 0.35 0.00 0.00 41.96 43.04 3ghb s TYR 140 CO 0.24 -0.51 0.84 -2.30 -1.34 0.00 0.00 175.55 172.49 3ghb n PRO 141 N 4.25 -2.07 -1.56 4.97 -0.02 -1.26 -0.90 135.00 138.41 3ghb n PRO 141 Ca -0.20 -0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 60.35 3ghb n PRO 141 Cb 0.59 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 3ghb n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghb n GLY 142 N 1.13 4.51 3.30 -1.23 0.00 -1.26 -4.85 105.19 106.78 3ghb n GLY 142 Ca 0.04 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 0.49 -1.09 0.22 4.61 0.00 -1.26 -4.78 121.76 119.95 3ghb s ALA 143 Ca 0.63 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 54.06 3ghb s ALA 143 Cb 0.21 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3ghb s ALA 143 CO -0.08 -0.26 0.25 0.14 0.00 0.00 0.00 175.76 175.80 3ghb s VAL 144 N 1.23 0.00 -0.03 0.00 -7.23 -1.26 -4.62 120.40 108.48 3ghb s VAL 144 Ca -0.08 -1.80 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3ghb s VAL 144 Cb -0.07 -2.40 -0.00 0.00 0.56 0.00 0.00 36.38 34.46 3ghb s VAL 144 CO -0.11 0.00 -0.12 0.42 -0.31 0.00 0.00 175.10 174.98 3ghb s THR 145 N -4.11 1.04 -0.09 5.32 -4.23 -0.76 -4.97 115.64 107.84 3ghb s THR 145 Ca 0.34 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 3ghb s THR 145 Cb 0.04 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.96 3ghb s THR 145 CO 0.11 0.31 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.70 3ghb s VAL 146 N 0.05 3.30 -0.04 2.29 1.01 -1.26 -1.32 120.40 124.42 3ghb s VAL 146 Ca -0.02 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3ghb s VAL 146 Cb -0.09 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3ghb s VAL 146 CO 0.01 0.56 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 3ghb s ALA 147 N -0.34 0.57 0.08 5.51 0.00 -0.69 -5.00 121.76 121.88 3ghb s ALA 147 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.01 3ghb s ALA 147 Cb -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3ghb s ALA 147 CO 0.02 -0.05 0.22 -1.58 0.00 0.00 0.00 175.76 174.38 3ghb s TRP 148 N 0.98 3.51 0.01 0.00 0.52 -1.26 -1.15 118.94 121.55 3ghb s TRP 148 Ca -0.10 0.22 0.01 0.00 0.02 0.00 0.00 56.10 56.25 3ghb s TRP 148 Cb -0.14 -1.74 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3ghb s TRP 148 CO -0.01 0.57 -0.03 0.15 0.02 0.00 0.00 176.95 177.66 3ghb s LYS 149 N -2.66 0.25 -0.11 4.98 -0.14 -0.21 -1.60 119.74 120.25 3ghb s LYS 149 Ca 0.35 -0.22 0.01 0.00 -1.36 0.00 0.00 55.97 54.75 3ghb s LYS 149 Cb -0.13 -0.17 0.02 0.00 -1.68 0.00 0.00 37.83 35.87 3ghb s LYS 149 CO 0.28 0.04 -0.14 0.00 -0.76 0.00 0.00 175.35 174.78 3ghb s ALA 150 N -0.36 1.60 -1.56 5.17 0.00 0.49 -0.40 121.76 126.70 3ghb s ALA 150 Ca -0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3ghb s ALA 150 Cb -0.03 -0.83 0.12 0.00 0.00 0.00 0.00 23.12 22.38 3ghb s ALA 150 CO -0.00 -0.13 0.79 -0.25 0.00 0.00 0.00 175.76 176.17 3ghb n ASP 151 N 4.31 -3.95 -0.57 0.00 8.00 -0.23 0.29 116.55 124.40 3ghb n ASP 151 Ca -0.18 -0.79 -0.07 0.00 0.71 0.00 0.00 54.79 54.45 3ghb n ASP 151 Cb 0.51 -3.21 -0.03 0.00 -0.02 0.00 0.00 41.12 38.37 3ghb n ASP 151 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ghb n SER 152 N -2.63 -4.89 -4.53 -2.24 7.64 -1.26 -5.00 113.62 100.72 3ghb n SER 152 Ca 0.05 0.18 -0.33 0.00 1.01 0.00 0.00 58.87 59.78 3ghb n SER 152 Cb 0.51 -3.04 -0.12 0.00 -1.01 0.00 0.00 64.21 60.55 3ghb n SER 152 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ghb s SER 153 N -2.44 4.38 0.43 6.43 0.15 0.14 -5.02 113.70 117.77 3ghb s SER 153 Ca 0.00 -0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 3ghb s SER 153 Cb 0.00 -1.08 -0.10 0.00 -1.71 0.00 0.00 66.02 63.13 3ghb s SER 153 CO 0.00 0.34 1.20 -0.81 1.20 0.00 0.00 173.24 175.17 3ghb n PRO 154 N 2.36 1.74 -3.90 5.44 -0.04 -1.26 -0.38 135.00 138.96 3ghb n PRO 154 Ca -0.18 0.62 -0.21 0.00 -0.04 0.00 0.00 63.50 63.70 3ghb n PRO 154 Cb 0.53 -2.29 -0.17 0.00 -0.04 0.00 0.00 33.50 31.53 3ghb n PRO 154 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ghb s VAL 155 N -1.22 0.35 -0.05 0.52 1.01 -0.63 -4.79 120.40 115.60 3ghb s VAL 155 Ca 0.62 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.69 3ghb s VAL 155 Cb -0.52 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3ghb s VAL 155 CO 0.57 0.22 -0.02 0.29 0.00 0.00 0.00 175.10 176.17 3ghb n LYS 156 N 4.67 1.70 -1.99 2.72 5.02 -1.26 -4.14 118.16 124.88 3ghb n LYS 156 Ca -0.15 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.74 3ghb n LYS 156 Cb 0.50 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 34.38 3ghb n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ghb s ALA 157 N -2.11 3.68 0.00 7.82 0.00 -1.26 -2.71 121.76 127.18 3ghb s ALA 157 Ca -0.05 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3ghb s ALA 157 Cb 0.02 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ghb s ALA 157 CO 0.15 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3ghb n GLY 158 N 2.83 0.68 3.74 0.00 0.00 -1.26 -4.84 105.19 106.34 3ghb n GLY 158 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 5.41 -0.10 1.61 1.01 -1.10 -0.89 120.40 123.92 3ghb s VAL 159 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3ghb s VAL 159 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.93 3ghb s VAL 159 CO 0.00 0.45 -0.05 -1.61 0.00 0.00 0.00 175.10 173.89 3ghb s GLU 160 N 0.30 1.17 -0.06 2.72 0.41 -0.26 -4.99 118.70 117.99 3ghb s GLU 160 Ca 0.09 -0.11 0.06 0.00 -0.41 0.00 0.00 54.97 54.59 3ghb s GLU 160 Cb -0.11 -1.35 -0.01 0.00 -1.78 0.00 0.00 34.13 30.88 3ghb s GLU 160 CO -0.01 -0.28 -0.24 0.99 -0.49 0.00 0.00 175.26 175.22 3ghb s THR 161 N 1.80 2.02 0.62 3.63 2.01 -1.26 -0.22 115.64 124.23 3ghb s THR 161 Ca 0.05 -1.04 -0.09 0.00 0.31 0.00 0.00 61.69 60.91 3ghb s THR 161 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 3ghb s THR 161 CO -0.07 0.56 0.99 0.42 -0.69 0.00 0.00 174.62 175.83 3ghb s THR 162 N -0.07 4.25 0.77 -0.82 -4.23 -0.27 -5.01 115.64 110.26 3ghb s THR 162 Ca -0.06 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 3ghb s THR 162 Cb -0.14 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 70.05 3ghb s THR 162 CO 0.04 -0.86 1.08 0.42 -0.54 0.00 0.00 174.62 174.77 3ghb s THR 163 N -3.13 3.45 0.46 3.99 -4.23 -1.26 -4.62 115.64 110.29 3ghb s THR 163 Ca 0.54 0.47 -0.21 0.00 -1.18 0.00 0.00 61.69 61.32 3ghb s THR 163 Cb -0.11 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 3ghb s THR 163 CO 0.51 -0.61 1.00 -2.16 -0.54 0.00 0.00 174.62 172.82 3ghb s PRO 164 N -4.99 4.00 0.01 3.99 0.04 -1.26 -4.73 135.00 132.07 3ghb s PRO 164 Ca 0.60 1.28 0.02 0.00 0.04 0.00 0.00 61.00 62.95 3ghb s PRO 164 Cb -0.16 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 3ghb s PRO 164 CO 0.56 -0.25 -0.08 -1.54 0.04 0.00 0.00 177.00 175.73 3ghb s SER 165 N -2.02 0.89 0.12 6.66 1.04 -0.15 -4.97 113.70 115.26 3ghb s SER 165 Ca 0.64 -0.29 -0.31 0.00 0.48 0.00 0.00 55.95 56.48 3ghb s SER 165 Cb -0.14 -0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 3ghb s SER 165 CO 0.18 -0.01 1.29 -0.75 0.98 0.00 0.00 173.24 174.92 3ghb s LYS 166 N -0.70 4.39 0.86 4.02 2.20 -1.26 -1.27 119.74 127.98 3ghb s LYS 166 Ca -0.01 1.94 -0.12 0.00 -0.36 0.00 0.00 55.97 57.42 3ghb s LYS 166 Cb -0.05 -3.27 0.14 0.00 -1.51 0.00 0.00 37.83 33.13 3ghb s LYS 166 CO 0.00 -0.30 1.20 -0.65 -0.36 0.00 0.00 175.35 175.25 3ghb s GLN 167 N 0.72 1.35 0.36 4.03 -0.21 0.18 -4.90 119.66 121.19 3ghb s GLN 167 Ca 0.60 -0.31 0.06 0.00 0.02 0.00 0.00 55.36 55.73 3ghb s GLN 167 Cb -0.34 -1.97 0.67 0.00 1.00 0.00 0.00 33.01 32.38 3ghb s GLN 167 CO 0.32 -1.91 1.90 0.77 -2.12 0.00 0.00 175.29 174.25 3ghb h SER 168 N -1.21 0.41 -0.23 5.90 0.02 -1.96 -2.42 113.55 114.06 3ghb h SER 168 Ca -0.44 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3ghb h SER 168 Cb 1.28 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3ghb h SER 168 CO 0.50 0.49 0.00 -0.46 -1.14 0.00 0.00 176.83 176.22 3ghb n ASN 169 N -4.29 1.61 0.00 3.07 0.23 -1.26 -4.90 115.26 109.72 3ghb n ASN 169 Ca 0.01 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 3ghb n ASN 169 Cb 0.24 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 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 0.22 -3.09 -4.56 0.53 3.02 -0.91 -5.02 115.26 105.45 3ghb n ASN 170 Ca 0.08 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.45 3ghb n ASN 170 Cb 0.29 -1.36 0.07 0.00 -0.61 0.00 0.00 39.78 38.17 3ghb n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ghb n LYS 171 N -1.73 0.46 -4.41 3.52 5.02 -1.26 -4.80 118.16 114.95 3ghb n LYS 171 Ca 0.00 -2.72 -0.25 0.00 -2.02 0.00 0.00 58.31 53.31 3ghb n LYS 171 Cb 0.13 -0.32 -0.11 0.00 -0.02 0.00 0.00 35.03 34.71 3ghb n LYS 171 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ghb s TYR 172 N -2.39 2.20 0.20 2.13 1.51 0.10 0.47 117.35 121.56 3ghb s TYR 172 Ca 0.56 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 56.30 3ghb s TYR 172 Cb -0.04 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 3ghb s TYR 172 CO 0.36 0.50 -0.10 0.00 -1.11 0.00 0.00 175.55 175.20 3ghb s ALA 173 N -1.89 1.83 -0.03 3.71 0.00 -0.40 -1.58 121.76 123.41 3ghb s ALA 173 Ca 0.21 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 3ghb s ALA 173 Cb -0.07 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.24 3ghb s ALA 173 CO 0.10 -0.06 0.93 0.00 0.00 0.00 0.00 175.76 176.74 3ghb s ALA 174 N -3.17 -1.85 0.05 0.00 0.00 0.60 -0.98 121.76 116.41 3ghb s ALA 174 Ca 0.22 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 3ghb s ALA 174 Cb 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 3ghb s ALA 174 CO 0.06 -0.68 0.05 -1.54 0.00 0.00 0.00 175.76 173.64 3ghb s SER 175 N -2.45 0.31 -0.00 0.00 1.04 -1.26 -0.61 113.70 110.73 3ghb s SER 175 Ca 0.06 -0.76 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 3ghb s SER 175 Cb -0.01 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3ghb s SER 175 CO -0.08 -0.57 0.00 -0.55 0.98 0.00 0.00 173.24 173.02 3ghb s SER 176 N -2.54 -0.00 -0.06 7.02 0.15 -0.07 -1.12 113.70 117.08 3ghb s SER 176 Ca 0.01 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.71 3ghb s SER 176 Cb 0.03 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3ghb s SER 176 CO -0.08 -0.00 -0.19 -0.31 1.20 0.00 0.00 173.24 173.86 3ghb s TYR 177 N 0.01 2.00 -0.27 3.44 1.51 0.70 -0.78 117.35 123.96 3ghb s TYR 177 Ca -0.00 -0.67 -0.02 0.00 -1.01 0.00 0.00 57.07 55.37 3ghb s TYR 177 Cb -0.00 -1.35 0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3ghb s TYR 177 CO -0.00 -0.26 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.98 3ghb s LEU 178 N 0.19 3.52 -0.15 -1.29 2.96 -0.67 -1.10 118.68 122.14 3ghb s LEU 178 Ca -0.09 -1.06 -0.13 0.00 -0.22 0.00 0.00 54.13 52.63 3ghb s LEU 178 Cb -0.14 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3ghb s LEU 178 CO 0.04 -0.19 0.27 -0.44 -1.32 0.00 0.00 176.35 174.72 3ghb s SER 179 N 1.29 6.44 0.13 3.68 0.01 -0.07 -0.71 113.70 124.47 3ghb s SER 179 Ca -0.03 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.73 3ghb s SER 179 Cb -0.18 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 3ghb s SER 179 CO -0.03 0.15 0.08 -0.76 0.41 0.00 0.00 173.24 173.10 3ghb s LEU 180 N 0.19 1.72 0.55 2.44 1.43 0.01 -4.69 118.68 120.32 3ghb s LEU 180 Ca 0.16 -1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.06 3ghb s LEU 180 Cb -0.13 0.43 -0.03 0.00 0.03 0.00 0.00 46.19 46.49 3ghb s LEU 180 CO 0.04 -0.74 0.89 0.42 0.23 0.00 0.00 176.35 177.20 3ghb s THR 181 N -4.02 4.75 0.34 5.49 -4.23 -1.26 -1.87 115.64 114.83 3ghb s THR 181 Ca 0.21 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 3ghb s THR 181 Cb 0.07 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.34 3ghb s THR 181 CO 0.00 -0.95 1.98 -0.65 -0.54 0.00 0.00 174.62 174.47 3ghb h PRO 182 N -0.03 0.87 -0.34 3.99 0.11 -1.82 -1.44 132.00 133.34 3ghb h PRO 182 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ghb h PRO 182 Cb 1.20 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3ghb h PRO 182 CO 0.62 0.58 0.20 0.93 -0.21 0.00 0.00 178.00 180.11 3ghb h GLU 183 N 0.90 0.47 -0.30 1.05 3.07 -1.97 -2.57 114.58 115.22 3ghb h GLU 183 Ca 0.28 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 3ghb h GLU 183 Cb -0.01 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3ghb h GLU 183 CO -0.07 0.37 0.11 1.96 -1.40 0.00 0.00 179.01 179.98 3ghb h GLN 184 N 0.43 0.46 -0.67 2.33 4.20 -1.81 -2.98 115.11 117.07 3ghb h GLN 184 Ca 0.12 -0.09 0.14 0.00 0.06 0.00 0.00 58.65 58.89 3ghb h GLN 184 Cb 0.03 -0.07 -0.11 0.00 0.30 0.00 0.00 27.48 27.62 3ghb h GLN 184 CO -0.02 0.48 -0.00 2.35 -0.67 0.00 0.00 178.83 180.97 3ghb h TRP 185 N 0.34 -0.05 0.00 2.96 2.91 -1.05 -0.16 115.95 120.90 3ghb h TRP 185 Ca 0.10 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3ghb h TRP 185 Cb 0.20 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 3ghb h TRP 185 CO -0.00 -0.19 0.00 1.63 -1.03 0.00 0.00 178.44 178.84 3ghb n LYS 186 N -5.31 0.02 0.20 2.65 5.02 -0.99 -3.54 118.16 116.22 3ghb n LYS 186 Ca 0.11 0.13 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 3ghb n LYS 186 Cb 0.40 -1.53 0.16 0.00 -0.02 0.00 0.00 35.03 34.03 3ghb n LYS 186 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3ghb h SER 187 N 0.00 0.00 -2.55 4.39 0.02 -0.86 -3.46 113.55 111.08 3ghb h SER 187 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3ghb h SER 187 Cb 0.40 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3ghb h SER 187 CO 0.00 0.14 -0.56 -1.00 -1.14 0.00 0.00 176.83 174.28 3ghb s HIS 188 N -3.17 3.13 -0.14 3.45 3.76 -1.23 -5.03 115.29 116.06 3ghb s HIS 188 Ca 0.06 -0.05 0.17 0.00 -0.15 0.00 0.00 55.06 55.09 3ghb s HIS 188 Cb 0.06 -1.47 -0.08 0.00 1.11 0.00 0.00 32.58 32.20 3ghb s HIS 188 CO 0.69 0.52 1.00 0.07 -0.85 0.00 0.00 174.74 176.16 3ghb h ARG 189 N 2.14 0.00 -3.17 1.40 -0.00 -1.90 -3.42 114.38 109.44 3ghb h ARG 189 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.44 3ghb h ARG 189 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 29.97 31.03 3ghb h ARG 189 CO 0.62 0.32 -0.07 -1.54 -0.00 0.00 0.00 179.97 179.30 3ghb s SER 190 N -5.92 -0.28 0.00 0.08 1.04 -1.26 -4.11 113.70 103.24 3ghb s SER 190 Ca -0.01 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3ghb s SER 190 Cb 0.08 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 3ghb s SER 190 CO 0.79 -0.76 -0.00 -0.31 0.98 0.00 0.00 173.24 173.94 3ghb s TYR 191 N -3.11 0.03 0.03 5.02 1.51 -0.68 -1.07 117.35 119.09 3ghb s TYR 191 Ca -0.01 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 3ghb s TYR 191 Cb 0.00 -0.02 -0.02 0.00 -0.11 0.00 0.00 41.96 41.81 3ghb s TYR 191 CO -0.07 -0.01 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.14 3ghb s SER 192 N -0.07 1.20 -0.27 2.29 0.01 0.46 -1.80 113.70 115.52 3ghb s SER 192 Ca -0.01 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.84 3ghb s SER 192 Cb -0.01 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.22 3ghb s SER 192 CO -0.00 -0.04 -0.06 0.00 0.41 0.00 0.00 173.24 173.55 3ghb s GLN 194 N 1.23 3.52 -0.22 0.00 -0.21 -0.30 -2.04 119.66 121.64 3ghb s GLN 194 Ca -0.04 -0.55 -0.06 0.00 0.02 0.00 0.00 55.36 54.73 3ghb s GLN 194 Cb -0.18 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 3ghb s GLN 194 CO -0.04 -0.16 0.01 0.08 -2.12 0.00 0.00 175.29 173.06 3ghb s VAL 195 N 1.46 3.96 -0.19 1.09 1.01 0.11 -1.71 120.40 126.13 3ghb s VAL 195 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3ghb s VAL 195 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 3ghb s VAL 195 CO 0.00 0.40 0.07 -0.89 0.00 0.00 0.00 175.10 174.68 3ghb s THR 196 N 1.27 4.82 -0.06 3.92 2.01 -0.44 0.05 115.64 127.21 3ghb s THR 196 Ca 0.04 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 3ghb s THR 196 Cb -0.15 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.22 3ghb s THR 196 CO 0.01 0.44 0.11 -2.28 -0.69 0.00 0.00 174.62 172.21 3ghb s HIS 197 N 0.52 -0.05 -1.43 4.92 5.04 0.69 -1.83 115.29 123.14 3ghb s HIS 197 Ca 0.04 0.40 -0.05 0.00 -1.54 0.00 0.00 55.06 53.91 3ghb s HIS 197 Cb -0.13 -0.39 0.03 0.00 0.04 0.00 0.00 32.58 32.14 3ghb s HIS 197 CO 0.01 -0.24 0.64 0.39 -2.34 0.00 0.00 174.74 173.20 3ghb n GLU 198 N 5.31 -4.16 0.00 2.88 -0.58 -1.26 -1.44 120.64 121.39 3ghb n GLU 198 Ca -0.04 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 3ghb n GLU 198 Cb 0.50 -4.96 0.00 0.00 -0.57 0.00 0.00 31.44 26.41 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 -1.74 2.97 3.79 0.62 0.00 -1.26 -5.00 105.19 104.57 3ghb n GLY 199 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.26 5.87 -0.14 1.61 0.01 -0.52 -5.10 113.70 113.16 3ghb s SER 200 Ca 0.00 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 3ghb s SER 200 Cb 0.00 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.42 3ghb s SER 200 CO 0.00 0.38 -0.10 -0.89 0.41 0.00 0.00 173.24 173.04 3ghb s THR 201 N -0.99 3.32 -0.12 1.44 2.01 -1.26 -0.22 115.64 119.82 3ghb s THR 201 Ca 0.15 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 3ghb s THR 201 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 3ghb s THR 201 CO 0.05 0.51 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 3ghb s VAL 202 N 0.39 4.06 0.06 3.82 1.01 0.11 -4.93 120.40 124.92 3ghb s VAL 202 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3ghb s VAL 202 Cb -0.15 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3ghb s VAL 202 CO 0.05 0.54 -0.14 -0.70 0.00 0.00 0.00 175.10 174.85 3ghb s GLU 203 N -0.23 0.85 0.02 2.72 2.12 -1.26 0.06 118.70 122.98 3ghb s GLU 203 Ca 0.05 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.55 3ghb s GLU 203 Cb -0.13 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 3ghb s GLU 203 CO 0.02 0.20 -0.07 0.15 -0.54 0.00 0.00 175.26 175.02 3ghb s LYS 204 N -1.45 0.52 0.04 4.30 -0.14 -0.86 -5.00 119.74 117.14 3ghb s LYS 204 Ca -0.01 -0.47 0.02 0.00 -1.36 0.00 0.00 55.97 54.15 3ghb s LYS 204 Cb -0.09 -0.42 -0.02 0.00 -1.68 0.00 0.00 37.83 35.62 3ghb s LYS 204 CO 0.02 0.10 -0.08 0.99 -0.76 0.00 0.00 175.35 175.62 3ghb s THR 205 N -0.69 0.53 0.07 2.17 2.01 -1.26 -1.39 115.64 117.08 3ghb s THR 205 Ca -0.03 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 60.90 3ghb s THR 205 Cb -0.06 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 3ghb s THR 205 CO 0.00 -0.40 -0.08 0.68 -0.69 0.00 0.00 174.62 174.14 3ghb s VAL 206 N -1.43 0.64 -0.09 3.82 -7.23 -0.75 -4.99 120.40 110.38 3ghb s VAL 206 Ca -0.10 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 3ghb s VAL 206 Cb -0.10 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.83 3ghb s VAL 206 CO 0.00 -0.55 -0.06 0.00 -0.31 0.00 0.00 175.10 174.18 3ghb s ALA 207 N -2.20 1.11 0.30 1.32 0.00 -1.26 -1.69 121.76 119.34 3ghb s ALA 207 Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3ghb s ALA 207 Cb -0.04 -0.76 0.77 0.00 0.00 0.00 0.00 23.12 23.08 3ghb s ALA 207 CO -0.01 -0.29 1.68 -1.35 0.00 0.00 0.00 175.76 175.79 3ghb h PRO 208 N 7.88 0.32 -0.75 0.00 0.11 -1.81 -0.67 132.00 137.07 3ghb h PRO 208 Ca -0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3ghb h PRO 208 Cb 1.14 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3ghb h PRO 208 CO 0.40 0.21 0.36 1.79 -0.21 0.00 0.00 178.00 180.55 3ghb h THR 209 N 0.33 1.24 -0.01 -1.15 1.35 -1.90 -2.89 112.91 109.88 3ghb h THR 209 Ca 0.58 -0.67 -0.15 0.00 -0.55 0.00 0.00 66.41 65.63 3ghb h THR 209 Cb 1.15 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.83 3ghb h THR 209 CO -0.58 0.28 -0.68 -0.33 -0.25 0.00 0.00 175.52 173.96 3ghb h GLU 210 N 1.07 0.05 0.00 4.72 5.08 -1.53 -3.56 114.58 120.41 3ghb h GLU 210 Ca 0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ghb h GLU 210 Cb 0.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ghb h GLU 210 CO -0.03 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.69