#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgt h PRO 11 N 0.00 0.00 -3.58 0.00 0.13 -1.87 -3.43 132.00 123.25 3kgt h PRO 11 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.77 3kgt h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 3kgt h PRO 11 CO 0.00 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 175.85 3kgt s LEU 12 N -5.26 0.75 0.01 1.56 2.96 -1.26 0.17 118.68 117.61 3kgt s LEU 12 Ca 0.06 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3kgt s LEU 12 Cb 0.09 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 3kgt s LEU 12 CO 0.54 -0.16 -0.03 -0.32 -1.32 0.00 0.00 176.35 175.06 3kgt s MET 13 N 1.54 0.25 -0.09 1.98 -2.45 -0.14 -4.35 119.30 116.05 3kgt s MET 13 Ca -0.03 -0.28 0.03 0.00 -1.25 0.00 0.00 55.69 54.17 3kgt s MET 13 Cb -0.13 -0.13 0.00 0.00 1.25 0.00 0.00 34.83 35.83 3kgt s MET 13 CO -0.03 0.03 -0.20 0.08 1.05 0.00 0.00 175.02 175.95 3kgt s VAL 14 N -0.52 1.75 -0.11 10.11 1.01 -0.92 -0.80 120.40 130.92 3kgt s VAL 14 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.14 3kgt s VAL 14 Cb -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3kgt s VAL 14 CO -0.00 0.49 -0.24 -0.75 0.00 0.00 0.00 175.10 174.60 3kgt s LYS 15 N 0.46 3.03 -0.06 2.72 2.20 0.72 -0.30 119.74 128.51 3kgt s LYS 15 Ca -0.17 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.60 3kgt s LYS 15 Cb -0.17 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 3kgt s LYS 15 CO 0.07 0.14 -0.18 0.08 -0.36 0.00 0.00 175.35 175.10 3kgt s VAL 16 N 0.44 1.53 0.08 4.02 1.01 0.15 -0.41 120.40 127.22 3kgt s VAL 16 Ca -0.17 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.15 3kgt s VAL 16 Cb -0.17 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3kgt s VAL 16 CO 0.07 0.44 -0.21 -0.76 0.00 0.00 0.00 175.10 174.63 3kgt s LEU 17 N 0.25 2.26 -0.36 3.92 1.43 0.04 -1.40 118.68 124.82 3kgt s LEU 17 Ca -0.10 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3kgt s LEU 17 Cb -0.14 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.13 3kgt s LEU 17 CO 0.04 0.11 0.22 -0.62 0.23 0.00 0.00 176.35 176.33 3kgt s ASP 18 N -1.67 5.87 0.00 2.29 -1.08 0.46 -0.77 116.67 121.78 3kgt s ASP 18 Ca 0.07 -0.70 0.29 0.00 -0.52 0.00 0.00 52.55 51.70 3kgt s ASP 18 Cb -0.10 -2.08 1.22 0.00 -1.46 0.00 0.00 42.92 40.50 3kgt s ASP 18 CO 0.04 -0.31 1.91 0.00 0.52 0.00 0.00 175.17 177.32 3kgt n ALA 19 N 5.06 2.42 -0.02 3.66 0.00 0.18 -1.41 120.51 130.40 3kgt n ALA 19 Ca -0.12 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 3kgt n ALA 19 Cb 0.48 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 3kgt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kgt h VAL 20 N 0.01 1.01 0.00 0.00 2.07 -1.94 -3.38 116.25 114.01 3kgt h VAL 20 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3kgt h VAL 20 Cb 0.48 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3kgt h VAL 20 CO 0.00 0.64 -0.81 0.54 0.02 0.00 0.00 177.57 177.95 3kgt n ARG 21 N -4.02 0.19 -3.12 1.57 1.74 -1.24 -4.98 116.66 106.80 3kgt n ARG 21 Ca -0.26 0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.69 3kgt n ARG 21 Cb 0.85 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.77 3kgt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kgt n GLY 22 N 1.41 -0.54 3.35 -0.13 0.00 -0.50 -5.03 105.19 103.74 3kgt n GLY 22 Ca 0.03 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 3kgt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kgt s SER 23 N -3.77 0.02 0.53 1.61 1.04 -1.06 -5.01 113.70 107.05 3kgt s SER 23 Ca 0.19 -0.85 -0.22 0.00 0.48 0.00 0.00 55.95 55.55 3kgt s SER 23 Cb -0.02 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 3kgt s SER 23 CO 0.63 -0.90 1.28 -0.81 0.98 0.00 0.00 173.24 174.42 3kgt n PRO 24 N -0.22 1.62 -3.02 4.02 -0.04 -1.26 -0.40 135.00 135.69 3kgt n PRO 24 Ca -0.07 0.59 -0.43 0.00 -0.04 0.00 0.00 63.50 63.55 3kgt n PRO 24 Cb 0.63 -2.47 -0.05 0.00 -0.04 0.00 0.00 33.50 31.57 3kgt n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kgt s ALA 25 N -1.30 3.29 0.15 0.55 0.00 -0.49 -4.55 121.76 119.41 3kgt s ALA 25 Ca 0.70 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3kgt s ALA 25 Cb -0.44 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 3kgt s ALA 25 CO 0.51 -2.25 0.36 0.96 0.00 0.00 0.00 175.76 175.33 3kgt s ILE 26 N 3.19 5.21 -1.53 0.00 -4.36 -1.26 -4.26 121.20 118.18 3kgt s ILE 26 Ca 0.20 -0.17 -0.04 0.00 -0.26 0.00 0.00 60.65 60.37 3kgt s ILE 26 Cb -0.18 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 39.88 3kgt s ILE 26 CO 0.13 -0.03 0.43 -3.20 0.24 0.00 0.00 174.94 172.51 3kgt n ASN 27 N -0.16 -5.61 -4.63 4.36 5.15 -0.57 -4.93 115.26 108.86 3kgt n ASN 27 Ca -0.04 -0.21 -0.42 0.00 -0.60 0.00 0.00 54.58 53.32 3kgt n ASN 27 Cb 0.52 -4.59 -0.05 0.00 -0.53 0.00 0.00 39.78 35.14 3kgt n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kgt s VAL 28 N -3.08 4.84 0.40 3.44 1.01 -1.26 -4.74 120.40 121.01 3kgt s VAL 28 Ca 0.23 1.40 -0.24 0.00 0.00 0.00 0.00 61.98 63.38 3kgt s VAL 28 Cb -0.11 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3kgt s VAL 28 CO 0.29 -0.12 1.02 0.00 0.00 0.00 0.00 175.10 176.29 3kgt s ALA 29 N 2.84 3.08 0.00 5.51 0.00 -1.26 -1.30 121.76 130.63 3kgt s ALA 29 Ca 0.33 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.74 3kgt s ALA 29 Cb -0.15 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.76 3kgt s ALA 29 CO 0.09 -0.13 0.39 0.00 0.00 0.00 0.00 175.76 176.12 3kgt s MET 30 N -2.58 0.81 -0.04 0.00 0.23 -0.07 -0.81 119.30 116.84 3kgt s MET 30 Ca 0.58 -0.19 0.06 0.00 -1.03 0.00 0.00 55.69 55.10 3kgt s MET 30 Cb -0.19 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 3kgt s MET 30 CO 0.25 -0.25 -0.21 -1.01 -2.03 0.00 0.00 175.02 171.77 3kgt s HIS 31 N -1.70 2.00 -0.14 3.16 3.76 -0.63 -1.70 115.29 120.04 3kgt s HIS 31 Ca -0.10 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 3kgt s HIS 31 Cb -0.03 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 3kgt s HIS 31 CO 0.03 -0.14 -0.03 0.08 -0.85 0.00 0.00 174.74 173.82 3kgt s VAL 32 N -0.18 3.96 0.20 -0.90 1.01 0.26 -0.89 120.40 123.86 3kgt s VAL 32 Ca -0.00 -0.34 0.11 0.00 0.00 0.00 0.00 61.98 61.74 3kgt s VAL 32 Cb -0.11 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3kgt s VAL 32 CO 0.02 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.06 3kgt s PHE 33 N 0.07 2.18 -0.03 5.22 0.40 0.45 0.15 117.98 126.42 3kgt s PHE 33 Ca 0.00 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 55.99 3kgt s PHE 33 Cb -0.13 -1.06 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 3kgt s PHE 33 CO 0.03 0.49 -0.16 0.50 0.70 0.00 0.00 175.22 176.78 3kgt s ARG 34 N -2.82 1.58 -0.12 0.44 3.52 0.43 -0.63 118.95 121.34 3kgt s ARG 34 Ca 0.21 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3kgt s ARG 34 Cb -0.07 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 3kgt s ARG 34 CO 0.10 0.24 1.20 0.21 -0.81 0.00 0.00 175.30 176.24 3kgt s LYS 35 N -0.02 4.30 0.81 5.12 2.20 -0.14 -0.86 119.74 131.16 3kgt s LYS 35 Ca -0.02 1.62 -0.12 0.00 -0.36 0.00 0.00 55.97 57.10 3kgt s LYS 35 Cb -0.10 -3.64 0.09 0.00 -1.51 0.00 0.00 37.83 32.67 3kgt s LYS 35 CO 0.01 -0.55 1.17 0.00 -0.36 0.00 0.00 175.35 175.62 3kgt s ALA 36 N 2.78 2.67 0.35 3.13 0.00 0.12 -4.69 121.76 126.12 3kgt s ALA 36 Ca 0.54 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.82 3kgt s ALA 36 Cb -0.22 -2.88 0.82 0.00 0.00 0.00 0.00 23.12 20.84 3kgt s ALA 36 CO 0.17 -1.73 1.85 0.00 0.00 0.00 0.00 175.76 176.05 3kgt h ALA 37 N -1.07 1.84 -0.22 0.00 0.00 -1.95 -0.60 119.26 117.25 3kgt h ALA 37 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kgt h ALA 37 Cb 1.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kgt h ALA 37 CO 0.61 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 3kgt n ASP 38 N -4.59 1.79 0.00 0.00 5.75 -1.26 -4.92 116.55 113.33 3kgt n ASP 38 Ca 0.19 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3kgt n ASP 38 Cb 0.51 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3kgt n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3kgt n ASP 39 N 0.21 -1.59 -4.88 -1.12 8.00 -0.23 -5.03 116.55 111.91 3kgt n ASP 39 Ca 0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3kgt n ASP 39 Cb 0.34 -0.91 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 3kgt n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kgt s THR 40 N -2.60 4.84 -0.29 -3.53 -4.23 -1.26 -4.77 115.64 103.79 3kgt s THR 40 Ca 0.00 0.49 -0.28 0.00 -1.18 0.00 0.00 61.69 60.71 3kgt s THR 40 Cb 0.00 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.13 3kgt s THR 40 CO 0.00 -0.45 1.03 0.26 -0.54 0.00 0.00 174.62 174.92 3kgt s TRP 41 N -2.28 3.21 -0.13 3.99 0.52 -1.26 -0.70 118.94 122.29 3kgt s TRP 41 Ca 0.49 1.23 -0.05 0.00 0.02 0.00 0.00 56.10 57.80 3kgt s TRP 41 Cb -0.10 -3.52 -0.04 0.00 -1.15 0.00 0.00 33.47 28.66 3kgt s TRP 41 CO 0.30 -0.66 0.05 -1.21 0.02 0.00 0.00 176.95 175.45 3kgt s GLU 42 N 3.45 3.45 0.14 4.98 2.02 -0.04 -4.90 118.70 127.80 3kgt s GLU 42 Ca 0.44 -0.34 -0.34 0.00 0.02 0.00 0.00 54.97 54.74 3kgt s GLU 42 Cb -0.13 -3.02 -0.15 0.00 0.10 0.00 0.00 34.13 30.93 3kgt s GLU 42 CO 0.12 0.55 1.46 -2.30 0.02 0.00 0.00 175.26 175.11 3kgt n PRO 43 N 2.66 1.76 -0.02 0.39 -0.02 -1.26 -0.43 135.00 138.08 3kgt n PRO 43 Ca -0.18 0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 61.88 3kgt n PRO 43 Cb 0.53 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 3kgt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kgt n PHE 44 N 2.88 0.00 -3.59 6.00 7.35 0.12 -4.78 117.46 125.44 3kgt n PHE 44 Ca 0.17 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.78 3kgt n PHE 44 Cb 0.26 -0.17 -0.02 0.00 0.35 0.00 0.00 39.48 39.90 3kgt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kgt s ALA 45 N -2.09 -1.69 0.23 3.13 0.00 -0.84 -5.00 121.76 115.51 3kgt s ALA 45 Ca -0.07 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.24 3kgt s ALA 45 Cb 0.02 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.78 3kgt s ALA 45 CO 0.08 -0.84 0.64 -1.54 0.00 0.00 0.00 175.76 174.11 3kgt s SER 46 N -2.70 -0.34 0.00 0.00 1.04 -1.26 0.92 113.70 111.36 3kgt s SER 46 Ca 0.07 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kgt s SER 46 Cb -0.02 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3kgt s SER 46 CO -0.05 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.60 3kgt n GLY 47 N -0.41 -1.47 3.21 7.32 0.00 -0.69 -4.99 105.19 108.16 3kgt n GLY 47 Ca -0.09 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 3kgt n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgt s LYS 48 N -1.41 0.93 0.48 1.61 -2.85 -1.26 -0.89 119.74 116.35 3kgt s LYS 48 Ca 0.00 -1.33 -0.21 0.00 -1.00 0.00 0.00 55.97 53.43 3kgt s LYS 48 Cb 0.00 -0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 35.21 3kgt s LYS 48 CO 0.00 0.05 1.08 0.95 0.10 0.00 0.00 175.35 177.53 3kgt s THR 49 N -3.13 3.53 0.21 3.79 -4.23 -0.42 -4.71 115.64 110.68 3kgt s THR 49 Ca 0.12 1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.63 3kgt s THR 49 Cb 0.02 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.44 3kgt s THR 49 CO -0.01 -0.13 0.28 -1.54 -0.54 0.00 0.00 174.62 172.68 3kgt n SER 50 N -0.77 0.08 0.28 3.99 3.41 -0.04 -1.51 113.62 119.06 3kgt n SER 50 Ca 0.09 -1.14 0.16 0.00 -0.26 0.00 0.00 58.87 57.72 3kgt n SER 50 Cb 0.51 -0.21 0.92 0.00 -0.26 0.00 0.00 64.21 65.17 3kgt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kgt h GLU 51 N 0.00 0.00 -0.18 4.33 3.07 -1.95 -0.03 114.58 119.83 3kgt h GLU 51 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3kgt h GLU 51 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3kgt h GLU 51 CO 0.07 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.55 3kgt n SER 52 N -3.76 1.97 -0.06 1.42 3.41 -1.26 -4.79 113.62 110.55 3kgt n SER 52 Ca -0.02 -1.74 -0.01 0.00 -0.26 0.00 0.00 58.87 56.84 3kgt n SER 52 Cb 0.15 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3kgt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kgt n GLY 53 N 1.20 0.48 3.62 5.00 0.00 -0.02 -4.78 105.19 110.69 3kgt n GLY 53 Ca 0.17 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 3kgt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgt s GLU 54 N -1.00 2.47 -0.22 1.61 2.02 -1.26 -0.68 118.70 121.65 3kgt s GLU 54 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.18 3kgt s GLU 54 Cb 0.00 -2.48 0.05 0.00 0.10 0.00 0.00 34.13 31.80 3kgt s GLU 54 CO 0.00 0.57 -0.06 -1.17 0.02 0.00 0.00 175.26 174.62 3kgt s LEU 55 N -1.84 2.33 0.39 1.80 2.96 0.59 -0.86 118.68 124.06 3kgt s LEU 55 Ca 0.20 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3kgt s LEU 55 Cb -0.11 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 3kgt s LEU 55 CO 0.12 -0.21 0.27 -1.00 -1.32 0.00 0.00 176.35 174.21 3kgt s HIS 56 N 1.44 2.70 -1.33 5.38 3.76 -1.26 -2.17 115.29 123.81 3kgt s HIS 56 Ca -0.04 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 3kgt s HIS 56 Cb -0.18 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3kgt s HIS 56 CO -0.07 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 3kgt n GLY 57 N -1.37 0.39 0.20 -2.22 0.00 -1.26 -4.91 105.19 96.02 3kgt n GLY 57 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 3kgt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kgt h LEU 58 N 0.00 0.23 0.00 0.99 3.38 -1.86 -3.48 115.31 114.58 3kgt h LEU 58 Ca -0.32 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 3kgt h LEU 58 Cb 1.14 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 3kgt h LEU 58 CO 0.41 0.58 -0.02 1.07 0.09 0.00 0.00 178.44 180.57 3kgt n THR 59 N -4.07 0.00 -4.42 0.22 5.66 -1.26 -4.82 114.28 105.59 3kgt n THR 59 Ca -0.01 -1.31 -0.21 0.00 -3.05 0.00 0.00 64.05 59.47 3kgt n THR 59 Cb 0.44 0.90 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 3kgt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3kgt s THR 60 N -2.61 1.71 0.30 1.09 -4.23 -1.26 -4.64 115.64 106.00 3kgt s THR 60 Ca 0.21 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 3kgt s THR 60 Cb -0.02 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.73 3kgt s THR 60 CO 0.15 -0.36 1.89 -0.33 -0.54 0.00 0.00 174.62 175.44 3kgt h GLU 61 N 2.32 1.00 -0.36 3.99 5.08 -1.99 -0.68 114.58 123.93 3kgt h GLU 61 Ca -0.40 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3kgt h GLU 61 Cb 1.23 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3kgt h GLU 61 CO 0.66 0.66 -0.10 0.93 -1.00 0.00 0.00 179.01 180.16 3kgt h GLU 62 N 1.03 0.71 0.00 2.33 3.07 -2.04 -3.25 114.58 116.43 3kgt h GLU 62 Ca 0.42 -0.28 -0.19 0.00 -0.50 0.00 0.00 59.36 58.82 3kgt h GLU 62 Cb 0.29 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3kgt h GLU 62 CO -0.18 0.87 -0.90 1.49 -1.40 0.00 0.00 179.01 178.89 3kgt h GLU 63 N 0.50 0.00 -3.73 2.33 4.81 -1.92 -3.39 114.58 113.19 3kgt h GLU 63 Ca 0.09 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.61 3kgt h GLU 63 Cb 0.61 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 3kgt h GLU 63 CO 0.04 0.90 3.01 0.34 -0.73 0.00 0.00 179.01 182.57 3kgt n PHE 64 N -3.34 3.25 -1.76 0.92 7.35 -0.28 -4.95 117.46 118.65 3kgt n PHE 64 Ca 0.00 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 3kgt n PHE 64 Cb 0.90 -2.42 0.16 0.00 0.35 0.00 0.00 39.48 38.47 3kgt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3kgt s VAL 65 N 2.41 1.95 0.43 -2.13 -7.23 -1.26 -4.94 120.40 109.62 3kgt s VAL 65 Ca 0.49 0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 3kgt s VAL 65 Cb 0.14 -2.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.07 3kgt s VAL 65 CO -0.07 0.00 0.86 -0.62 -0.31 0.00 0.00 175.10 174.96 3kgt n GLU 66 N -3.79 1.06 -3.73 4.82 1.02 -1.26 -4.82 120.64 113.94 3kgt n GLU 66 Ca 0.12 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 3kgt n GLU 66 Cb 0.60 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 3kgt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kgt n GLY 67 N 1.38 -2.24 3.61 0.62 0.00 -1.11 -5.00 105.19 102.45 3kgt n GLY 67 Ca 0.10 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3kgt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgt s ILE 68 N -2.23 4.94 0.08 -0.61 1.01 -1.26 -0.66 121.20 122.46 3kgt s ILE 68 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.77 3kgt s ILE 68 Cb 0.00 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3kgt s ILE 68 CO 0.00 0.39 -0.20 -0.31 0.00 0.00 0.00 174.94 174.82 3kgt s TYR 69 N 0.87 2.49 -0.10 3.97 1.51 0.48 -0.97 117.35 125.60 3kgt s TYR 69 Ca 0.05 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 3kgt s TYR 69 Cb -0.13 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3kgt s TYR 69 CO 0.03 0.29 -0.15 0.21 -1.11 0.00 0.00 175.55 174.82 3kgt s LYS 70 N -1.73 2.20 -0.32 -0.62 2.20 0.19 -1.19 119.74 120.48 3kgt s LYS 70 Ca 0.15 -0.56 -0.07 0.00 -0.36 0.00 0.00 55.97 55.13 3kgt s LYS 70 Cb -0.10 -1.85 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 3kgt s LYS 70 CO 0.07 -0.04 0.10 0.08 -0.36 0.00 0.00 175.35 175.20 3kgt s VAL 71 N 0.91 3.97 -0.43 4.02 1.01 0.88 -0.41 120.40 130.35 3kgt s VAL 71 Ca -0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 3kgt s VAL 71 Cb -0.15 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.14 3kgt s VAL 71 CO -0.00 -0.03 0.34 -1.61 0.00 0.00 0.00 175.10 173.80 3kgt s GLU 72 N 1.48 2.98 -0.23 2.72 2.02 -0.07 -0.66 118.70 126.94 3kgt s GLU 72 Ca 0.01 -1.12 -0.18 0.00 0.02 0.00 0.00 54.97 53.71 3kgt s GLU 72 Cb -0.18 -4.03 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 3kgt s GLU 72 CO 0.03 -0.85 0.49 0.42 0.02 0.00 0.00 175.26 175.37 3kgt s ILE 73 N 1.69 5.11 -1.31 -1.63 1.01 0.14 -1.60 121.20 124.60 3kgt s ILE 73 Ca 0.05 0.87 -0.17 0.00 0.00 0.00 0.00 60.65 61.40 3kgt s ILE 73 Cb -0.21 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.47 3kgt s ILE 73 CO 0.09 0.15 2.00 -0.67 0.00 0.00 0.00 174.94 176.51 3kgt n ASP 74 N 5.07 4.09 0.16 3.58 2.03 0.01 -1.56 116.55 129.93 3kgt n ASP 74 Ca -0.05 -2.84 0.01 0.00 0.52 0.00 0.00 54.79 52.42 3kgt n ASP 74 Cb 0.50 -1.65 0.26 0.00 -0.72 0.00 0.00 41.12 39.51 3kgt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3kgt h THR 75 N 4.79 1.32 -0.34 5.18 1.35 -1.85 -3.23 112.91 120.14 3kgt h THR 75 Ca 0.49 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3kgt h THR 75 Cb 0.75 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 3kgt h THR 75 CO 1.69 0.49 0.12 0.50 -0.25 0.00 0.00 175.52 178.07 3kgt h LYS 76 N 0.00 0.51 -0.74 4.72 3.64 -1.75 -1.56 116.57 121.40 3kgt h LYS 76 Ca -0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3kgt h LYS 76 Cb 0.91 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3kgt h LYS 76 CO 0.07 0.53 0.31 0.77 -2.27 0.00 0.00 179.45 178.86 3kgt h SER 77 N 0.39 0.99 0.10 4.20 0.02 -1.86 -0.12 113.55 117.28 3kgt h SER 77 Ca 0.11 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kgt h SER 77 Cb 0.22 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 3kgt h SER 77 CO -0.01 0.87 -0.18 0.22 -1.14 0.00 0.00 176.83 176.60 3kgt h TYR 78 N 1.07 -0.47 -0.56 3.45 3.20 -1.51 -1.22 116.97 120.93 3kgt h TYR 78 Ca 0.25 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 3kgt h TYR 78 Cb 0.17 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3kgt h TYR 78 CO 0.02 -0.26 0.07 -1.49 -1.64 0.00 0.00 178.16 174.85 3kgt h TRP 79 N -0.35 1.01 -0.86 -3.82 4.06 -1.06 -3.04 115.95 111.89 3kgt h TRP 79 Ca 0.02 -0.15 -0.00 0.00 2.06 0.00 0.00 58.89 60.82 3kgt h TRP 79 Cb 0.36 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.21 3kgt h TRP 79 CO -0.18 0.89 0.53 0.87 -3.56 0.00 0.00 178.44 176.99 3kgt h LYS 80 N 0.83 1.15 0.00 0.49 1.57 -0.76 -0.64 116.57 119.21 3kgt h LYS 80 Ca 0.17 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3kgt h LYS 80 Cb 0.45 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3kgt h LYS 80 CO 0.02 0.80 -0.09 0.00 -0.57 0.00 0.00 179.45 179.61 3kgt h ALA 81 N 1.29 1.26 -0.16 3.86 0.00 -1.14 -1.22 119.26 123.15 3kgt h ALA 81 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kgt h ALA 81 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kgt h ALA 81 CO -0.06 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.58 3kgt n LEU 82 N -3.56 1.92 0.00 0.00 4.77 -0.37 -4.93 117.00 114.83 3kgt n LEU 82 Ca -0.02 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 3kgt n LEU 82 Cb 0.21 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3kgt n LEU 82 CO 0.29 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3kgt n GLY 83 N 1.20 0.75 3.56 -0.72 0.00 -0.46 -5.06 105.19 104.46 3kgt n GLY 83 Ca 0.17 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3kgt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kgt s ILE 84 N -2.00 3.98 -0.56 -0.61 1.01 -0.47 -4.98 121.20 117.56 3kgt s ILE 84 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 3kgt s ILE 84 Cb 0.00 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.84 3kgt s ILE 84 CO 0.00 0.54 0.71 -0.44 0.00 0.00 0.00 174.94 175.75 3kgt s SER 85 N -0.18 6.21 0.69 3.58 0.01 -1.26 -2.60 113.70 120.15 3kgt s SER 85 Ca 0.04 -1.07 -0.06 0.00 1.31 0.00 0.00 55.95 56.16 3kgt s SER 85 Cb -0.13 -2.32 0.06 0.00 0.21 0.00 0.00 66.02 63.84 3kgt s SER 85 CO 0.02 -1.06 1.00 -2.16 0.41 0.00 0.00 173.24 171.45 3kgt s PRO 86 N 2.90 2.22 -0.04 12.44 0.04 -1.26 -5.00 135.00 146.29 3kgt s PRO 86 Ca 0.16 -0.29 -0.23 0.00 0.04 0.00 0.00 61.00 60.67 3kgt s PRO 86 Cb -0.20 -2.19 -0.18 0.00 0.04 0.00 0.00 34.50 31.97 3kgt s PRO 86 CO 0.10 -1.20 1.01 0.35 0.04 0.00 0.00 177.00 177.30 3kgt h PHE 87 N -0.55 -0.14 -3.89 0.56 3.57 -1.46 -3.47 116.94 111.55 3kgt h PHE 87 Ca -0.44 -0.00 -0.47 0.00 3.53 0.00 0.00 57.97 60.59 3kgt h PHE 87 Cb 1.31 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 3kgt h PHE 87 CO 0.34 0.34 0.34 -1.01 -2.23 0.00 0.00 178.31 176.08 3kgt s HIS 88 N -3.69 3.65 0.16 0.41 3.76 -1.26 -4.96 115.29 113.35 3kgt s HIS 88 Ca -0.14 1.75 -0.08 0.00 -0.15 0.00 0.00 55.06 56.44 3kgt s HIS 88 Cb 0.01 -2.90 0.01 0.00 1.11 0.00 0.00 32.58 30.80 3kgt s HIS 88 CO 0.56 0.18 1.48 0.93 -0.85 0.00 0.00 174.74 177.04 3kgt h GLU 89 N 3.04 0.82 -2.73 1.40 4.39 -1.97 -3.38 114.58 116.15 3kgt h GLU 89 Ca -0.47 -0.46 0.10 0.00 0.34 0.00 0.00 59.36 58.87 3kgt h GLU 89 Cb 1.19 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 3kgt h GLU 89 CO 0.65 1.09 0.37 -3.38 -1.16 0.00 0.00 179.01 176.57 3kgt s HIS 90 N -4.26 -0.08 -0.14 4.33 -3.43 -1.26 -3.56 115.29 106.88 3kgt s HIS 90 Ca -0.10 -0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 53.76 3kgt s HIS 90 Cb 0.11 0.71 -0.03 0.00 -1.43 0.00 0.00 32.58 31.94 3kgt s HIS 90 CO 0.87 -1.13 -0.04 0.00 -2.00 0.00 0.00 174.74 172.44 3kgt s ALA 91 N -3.18 3.03 -0.08 -1.38 0.00 -0.60 -4.89 121.76 114.65 3kgt s ALA 91 Ca 0.14 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3kgt s ALA 91 Cb -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.56 3kgt s ALA 91 CO 0.06 0.28 -0.20 -2.00 0.00 0.00 0.00 175.76 173.90 3kgt s GLU 92 N 0.16 2.51 -0.20 0.00 2.12 -1.26 0.23 118.70 122.27 3kgt s GLU 92 Ca -0.01 -0.72 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3kgt s GLU 92 Cb -0.14 -1.96 0.03 0.00 0.26 0.00 0.00 34.13 32.32 3kgt s GLU 92 CO 0.03 0.15 -0.18 0.08 -0.54 0.00 0.00 175.26 174.79 3kgt s VAL 93 N 0.40 2.10 -0.13 3.70 1.01 0.16 -4.97 120.40 122.67 3kgt s VAL 93 Ca -0.16 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.79 3kgt s VAL 93 Cb -0.17 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3kgt s VAL 93 CO 0.07 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.69 3kgt s VAL 94 N 1.26 2.04 -0.06 2.92 1.01 -1.26 -0.08 120.40 126.22 3kgt s VAL 94 Ca 0.02 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3kgt s VAL 94 Cb -0.14 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.49 3kgt s VAL 94 CO -0.11 0.55 0.50 0.72 0.00 0.00 0.00 175.10 176.75 3kgt s PHE 95 N 0.72 -0.44 0.01 5.22 -0.71 -0.34 -4.98 117.98 117.47 3kgt s PHE 95 Ca -0.09 0.80 -0.30 0.00 -1.04 0.00 0.00 56.93 56.29 3kgt s PHE 95 Cb -0.16 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 3kgt s PHE 95 CO 0.00 -0.47 1.00 0.99 -1.34 0.00 0.00 175.22 175.40 3kgt s THR 96 N -1.04 4.77 0.08 -4.49 2.01 -1.26 -0.39 115.64 115.33 3kgt s THR 96 Ca -0.11 2.01 0.08 0.00 0.31 0.00 0.00 61.69 63.98 3kgt s THR 96 Cb -0.03 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3kgt s THR 96 CO 0.06 0.17 -0.16 0.00 -0.69 0.00 0.00 174.62 174.00 3kgt s ALA 97 N 0.94 2.74 -1.83 7.40 0.00 0.16 -4.80 121.76 126.37 3kgt s ALA 97 Ca 0.52 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3kgt s ALA 97 Cb -0.22 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3kgt s ALA 97 CO 0.28 0.60 0.00 0.09 0.00 0.00 0.00 175.76 176.73 3kgt n ASN 98 N 1.06 -5.24 0.14 0.00 3.02 -1.26 -2.76 115.26 110.22 3kgt n ASN 98 Ca -0.15 0.26 0.13 0.00 -0.03 0.00 0.00 54.58 54.79 3kgt n ASN 98 Cb 0.52 -4.53 0.44 0.00 -0.61 0.00 0.00 39.78 35.61 3kgt n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3kgt h ASP 99 N 0.00 0.00 -0.32 6.41 2.03 -1.93 -2.50 116.42 120.11 3kgt h ASP 99 Ca -0.42 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.85 3kgt h ASP 99 Cb 1.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 3kgt h ASP 99 CO 0.55 0.00 0.01 -1.20 -1.03 0.00 0.00 179.24 177.57 3kgt n SER 100 N -2.38 3.92 0.00 4.15 7.64 -1.26 -5.08 113.62 120.61 3kgt n SER 100 Ca 0.04 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3kgt n SER 100 Cb 0.35 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3kgt n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kgt n GLY 101 N -0.49 1.76 3.76 0.23 0.00 -0.94 -5.04 105.19 104.47 3kgt n GLY 101 Ca 0.24 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3kgt n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kgt s PRO 102 N -1.85 4.28 0.16 1.61 0.02 -1.26 -4.33 135.00 133.63 3kgt s PRO 102 Ca 0.00 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.36 3kgt s PRO 102 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3kgt s PRO 102 CO 0.00 -0.34 -0.06 1.03 -0.33 0.00 0.00 177.00 177.30 3kgt s ARG 103 N -1.22 1.08 -0.16 5.54 1.81 -1.26 -4.58 118.95 120.16 3kgt s ARG 103 Ca 0.54 -1.49 -0.09 0.00 -1.72 0.00 0.00 55.73 52.97 3kgt s ARG 103 Cb -0.42 -0.49 -0.05 0.00 -0.45 0.00 0.00 34.95 33.55 3kgt s ARG 103 CO 0.50 -0.01 0.14 1.03 -0.68 0.00 0.00 175.30 176.29 3kgt s ARG 104 N -3.81 3.87 -0.14 3.54 0.52 -0.03 -4.82 118.95 118.08 3kgt s ARG 104 Ca 0.19 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 3kgt s ARG 104 Cb 0.04 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 32.20 3kgt s ARG 104 CO 0.02 0.50 -0.21 0.71 0.02 0.00 0.00 175.30 176.34 3kgt s TYR 105 N -0.24 2.68 -0.22 -0.53 1.51 0.13 -1.71 117.35 118.97 3kgt s TYR 105 Ca 0.11 -1.31 -0.04 0.00 -1.01 0.00 0.00 57.07 54.82 3kgt s TYR 105 Cb -0.12 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 3kgt s TYR 105 CO 0.01 -0.60 -0.05 0.99 -1.11 0.00 0.00 175.55 174.79 3kgt s THR 106 N 0.81 3.30 -0.26 -0.71 2.01 -0.24 -0.97 115.64 119.57 3kgt s THR 106 Ca -0.07 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 3kgt s THR 106 Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3kgt s THR 106 CO -0.02 0.42 0.14 -0.63 -0.69 0.00 0.00 174.62 173.84 3kgt s ILE 107 N 1.47 4.91 -0.11 1.82 -1.09 0.02 -0.61 121.20 127.59 3kgt s ILE 107 Ca 0.06 0.03 -0.01 0.00 -2.23 0.00 0.00 60.65 58.50 3kgt s ILE 107 Cb -0.14 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3kgt s ILE 107 CO -0.04 0.30 -0.08 0.00 -1.23 0.00 0.00 174.94 173.89 3kgt s ALA 108 N 1.63 2.89 -0.08 9.38 0.00 0.01 -0.20 121.76 135.39 3kgt s ALA 108 Ca 0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3kgt s ALA 108 Cb -0.15 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.64 3kgt s ALA 108 CO 0.08 0.37 -0.18 0.00 0.00 0.00 0.00 175.76 176.03 3kgt s ALA 109 N -0.13 1.69 -0.21 0.00 0.00 0.45 -1.11 121.76 122.45 3kgt s ALA 109 Ca 0.01 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 3kgt s ALA 109 Cb -0.13 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 3kgt s ALA 109 CO 0.03 0.21 -0.03 -1.17 0.00 0.00 0.00 175.76 174.80 3kgt s LEU 110 N 0.44 2.97 -0.15 0.00 2.96 0.29 -0.78 118.68 124.42 3kgt s LEU 110 Ca -0.15 -0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3kgt s LEU 110 Cb -0.16 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3kgt s LEU 110 CO 0.06 -0.00 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.30 3kgt s LEU 111 N 1.36 3.30 0.21 -0.68 1.43 0.05 -1.57 118.68 122.79 3kgt s LEU 111 Ca 0.04 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.10 3kgt s LEU 111 Cb -0.14 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3kgt s LEU 111 CO -0.02 0.18 -0.08 -0.44 0.23 0.00 0.00 176.35 176.22 3kgt s SER 112 N 0.30 2.22 0.44 2.29 0.01 0.40 -0.65 113.70 118.71 3kgt s SER 112 Ca -0.03 -1.09 0.10 0.00 1.31 0.00 0.00 55.95 56.23 3kgt s SER 112 Cb -0.14 -0.07 0.96 0.00 0.21 0.00 0.00 66.02 66.98 3kgt s SER 112 CO 0.03 -0.33 2.07 -0.65 0.41 0.00 0.00 173.24 174.77 3kgt h PRO 113 N 2.55 0.37 -0.15 12.44 0.11 -1.99 -2.92 132.00 142.41 3kgt h PRO 113 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3kgt h PRO 113 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kgt h PRO 113 CO 0.64 0.26 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 3kgt n TYR 114 N -4.47 0.45 -3.57 0.65 4.02 -1.26 -1.07 117.16 111.91 3kgt n TYR 114 Ca 0.01 -0.83 -0.16 0.00 -0.01 0.00 0.00 57.90 56.91 3kgt n TYR 114 Cb 0.09 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.15 3kgt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3kgt s SER 115 N -2.04 -0.68 0.03 7.72 0.15 -1.10 -4.94 113.70 112.84 3kgt s SER 115 Ca 0.32 1.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.92 3kgt s SER 115 Cb 0.25 0.94 -0.00 0.00 -1.71 0.00 0.00 66.02 65.50 3kgt s SER 115 CO 0.07 -0.43 0.14 -0.72 1.20 0.00 0.00 173.24 173.50 3kgt s TYR 116 N -0.47 0.12 -0.02 3.44 -0.85 -1.26 -0.46 117.35 117.86 3kgt s TYR 116 Ca -0.05 -0.36 0.06 0.00 -0.52 0.00 0.00 57.07 56.19 3kgt s TYR 116 Cb -0.02 -0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 3kgt s TYR 116 CO 0.05 -0.38 -0.20 0.45 -1.52 0.00 0.00 175.55 173.96 3kgt s SER 117 N -2.00 2.32 -0.01 -0.18 0.15 -0.61 -4.98 113.70 108.39 3kgt s SER 117 Ca -0.07 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.25 3kgt s SER 117 Cb -0.02 -0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3kgt s SER 117 CO -0.03 0.23 -0.11 0.28 1.20 0.00 0.00 173.24 174.81 3kgt s THR 118 N -0.38 0.85 0.06 6.45 -1.32 -1.26 -0.54 115.64 119.50 3kgt s THR 118 Ca 0.06 -0.45 0.01 0.00 -1.21 0.00 0.00 61.69 60.10 3kgt s THR 118 Cb -0.08 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 3kgt s THR 118 CO -0.00 0.25 -0.05 0.28 -2.21 0.00 0.00 174.62 172.88 3kgt s THR 119 N -0.14 0.46 -0.08 5.08 -1.32 -0.26 -4.99 115.64 114.38 3kgt s THR 119 Ca 0.02 -1.63 0.04 0.00 -1.21 0.00 0.00 61.69 58.91 3kgt s THR 119 Cb -0.05 -1.28 -0.00 0.00 -1.51 0.00 0.00 72.50 69.65 3kgt s THR 119 CO -0.00 -0.78 -0.22 0.00 -2.21 0.00 0.00 174.62 171.40 3kgt s ALA 120 N -3.08 1.99 -0.25 11.08 0.00 -1.26 -0.81 121.76 129.43 3kgt s ALA 120 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3kgt s ALA 120 Cb 0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 3kgt s ALA 120 CO -0.05 0.30 0.05 0.08 0.00 0.00 0.00 175.76 176.14 3kgt s VAL 121 N 0.23 4.09 -0.19 0.00 1.01 0.22 -4.98 120.40 120.78 3kgt s VAL 121 Ca -0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3kgt s VAL 121 Cb -0.16 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3kgt s VAL 121 CO 0.06 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 3kgt s VAL 122 N 1.57 2.42 0.10 2.92 1.01 -1.26 -1.08 120.40 126.07 3kgt s VAL 122 Ca 0.06 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3kgt s VAL 122 Cb -0.15 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3kgt s VAL 122 CO 0.02 0.51 -0.22 0.42 0.00 0.00 0.00 175.10 175.83 3kgt s THR 123 N 1.30 1.79 -0.40 3.92 -4.23 -0.69 -4.97 115.64 112.35 3kgt s THR 123 Ca 0.04 -1.54 -0.18 0.00 -1.18 0.00 0.00 61.69 58.83 3kgt s THR 123 Cb -0.14 -1.61 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3kgt s THR 123 CO -0.10 -0.01 0.48 0.21 -0.54 0.00 0.00 174.62 174.66 3kgt s ASN 124 N -1.86 6.24 0.00 3.99 3.84 -1.26 -0.85 114.94 125.04 3kgt s ASN 124 Ca 0.08 -0.41 0.00 0.00 0.21 0.00 0.00 52.86 52.74 3kgt s ASN 124 Cb -0.10 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 3kgt s ASN 124 CO 0.04 -0.55 0.38 -0.81 -2.79 0.00 0.00 177.10 173.37