#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3grb h PRO 11 N 0.00 0.19 -3.29 0.00 0.11 -1.90 -3.42 132.00 123.68 3grb h PRO 11 Ca 0.00 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 65.81 3grb h PRO 11 Cb 0.00 -0.03 -0.33 0.00 0.11 0.00 0.00 31.00 30.76 3grb h PRO 11 CO 0.00 0.33 -0.63 -1.17 -0.21 0.00 0.00 178.00 176.31 3grb s LEU 12 N -8.75 0.68 0.01 2.35 0.20 -1.25 -0.20 118.68 111.72 3grb s LEU 12 Ca -0.05 0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.04 3grb s LEU 12 Cb 0.16 0.25 -0.01 0.00 -0.43 0.00 0.00 46.19 46.16 3grb s LEU 12 CO 0.72 -0.16 -0.07 -0.32 -0.29 0.00 0.00 176.35 176.23 3grb s MET 13 N 1.31 0.52 -0.09 1.98 1.75 -0.24 -4.39 119.30 120.14 3grb s MET 13 Ca -0.07 -0.41 0.04 0.00 -1.25 0.00 0.00 55.69 53.99 3grb s MET 13 Cb -0.12 -0.44 0.00 0.00 2.84 0.00 0.00 34.83 37.11 3grb s MET 13 CO -0.05 0.11 -0.23 0.08 -0.65 0.00 0.00 175.02 174.28 3grb s VAL 14 N -0.56 1.95 -0.07 10.11 1.01 -1.05 -0.80 120.40 130.98 3grb s VAL 14 Ca -0.02 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.03 3grb s VAL 14 Cb -0.05 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3grb s VAL 14 CO 0.00 0.54 -0.16 -0.75 0.00 0.00 0.00 175.10 174.73 3grb s LYS 15 N 0.32 2.07 -0.11 2.72 2.20 0.08 -0.62 119.74 126.41 3grb s LYS 15 Ca -0.17 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 54.89 3grb s LYS 15 Cb -0.17 -1.66 0.02 0.00 -1.51 0.00 0.00 37.83 34.50 3grb s LYS 15 CO 0.08 0.10 -0.15 0.08 -0.36 0.00 0.00 175.35 175.11 3grb s VAL 16 N 0.47 1.47 -0.02 4.02 1.01 0.15 -0.47 120.40 127.02 3grb s VAL 16 Ca -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.27 3grb s VAL 16 Cb -0.16 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3grb s VAL 16 CO 0.05 0.44 -0.17 -0.76 0.00 0.00 0.00 175.10 174.65 3grb s LEU 17 N 1.03 2.58 -0.51 3.92 1.43 -0.01 -1.26 118.68 125.85 3grb s LEU 17 Ca -0.06 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 3grb s LEU 17 Cb -0.15 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.61 3grb s LEU 17 CO -0.02 0.32 0.77 -0.62 0.23 0.00 0.00 176.35 177.02 3grb s ASP 18 N -0.91 6.30 0.03 2.29 -1.08 0.86 -1.22 116.67 122.93 3grb s ASP 18 Ca 0.12 -0.54 0.25 0.00 -0.52 0.00 0.00 52.55 51.86 3grb s ASP 18 Cb -0.10 -2.36 1.06 0.00 -1.46 0.00 0.00 42.92 40.05 3grb s ASP 18 CO 0.02 -1.01 1.81 0.00 0.52 0.00 0.00 175.17 176.50 3grb n ALA 19 N 6.75 2.16 -0.05 3.66 0.00 -0.14 -1.17 120.51 131.72 3grb n ALA 19 Ca -0.02 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3grb n ALA 19 Cb 0.47 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 3grb n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3grb h VAL 20 N 0.00 1.01 -0.00 0.00 2.07 -1.92 -3.39 116.25 114.02 3grb h VAL 20 Ca 0.00 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3grb h VAL 20 Cb 0.46 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3grb h VAL 20 CO 0.00 0.54 -0.75 0.54 0.02 0.00 0.00 177.57 177.93 3grb n ARG 21 N -4.17 0.26 -2.76 1.57 1.74 -1.22 -5.00 116.66 107.08 3grb n ARG 21 Ca -0.27 -0.20 -0.09 0.00 -0.77 0.00 0.00 57.85 56.52 3grb n ARG 21 Cb 0.78 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.77 3grb n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3grb n GLY 22 N 1.48 0.03 3.12 -0.13 0.00 -0.32 -5.06 105.19 104.31 3grb n GLY 22 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3grb n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3grb s SER 23 N -3.69 0.08 0.60 1.61 0.01 -1.06 -5.01 113.70 106.24 3grb s SER 23 Ca 0.01 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.73 3grb s SER 23 Cb -0.01 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 3grb s SER 23 CO 0.38 -0.45 1.05 -0.81 0.41 0.00 0.00 173.24 173.82 3grb n PRO 24 N 1.09 0.99 -3.06 12.44 -0.04 -1.26 -0.10 135.00 145.05 3grb n PRO 24 Ca -0.21 0.38 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 3grb n PRO 24 Cb 0.57 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 3grb n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3grb s ALA 25 N -1.47 3.33 -0.06 0.55 0.00 -0.39 -4.55 121.76 119.17 3grb s ALA 25 Ca 0.77 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3grb s ALA 25 Cb -0.41 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3grb s ALA 25 CO 0.46 -1.82 0.09 0.42 0.00 0.00 0.00 175.76 174.92 3grb s ILE 26 N 2.97 4.96 -1.74 0.00 1.01 -1.26 -4.23 121.20 122.90 3grb s ILE 26 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.75 3grb s ILE 26 Cb -0.13 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3grb s ILE 26 CO 0.20 0.49 0.11 0.59 0.00 0.00 0.00 174.94 176.33 3grb n ASN 27 N 1.63 -5.96 -4.72 3.58 3.02 -0.37 -4.92 115.26 107.51 3grb n ASN 27 Ca -0.16 -0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 53.94 3grb n ASN 27 Cb 0.54 -4.93 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 3grb n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3grb s VAL 28 N -3.07 5.22 0.32 2.41 1.01 -1.26 -4.72 120.40 120.31 3grb s VAL 28 Ca 0.06 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3grb s VAL 28 Cb -0.02 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 3grb s VAL 28 CO 0.07 0.34 1.23 0.00 0.00 0.00 0.00 175.10 176.74 3grb s ALA 29 N 0.61 3.45 -0.04 5.51 0.00 -1.26 -0.83 121.76 129.20 3grb s ALA 29 Ca 0.23 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3grb s ALA 29 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3grb s ALA 29 CO 0.08 -0.47 -0.09 0.08 0.00 0.00 0.00 175.76 175.37 3grb s VAL 30 N -1.16 0.86 -0.09 0.00 1.01 -0.15 -1.00 120.40 119.87 3grb s VAL 30 Ca 0.48 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3grb s VAL 30 Cb -0.37 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 3grb s VAL 30 CO 0.48 0.28 -0.18 -1.00 0.00 0.00 0.00 175.10 174.69 3grb s HIS 31 N 0.55 2.66 -0.07 5.22 3.76 0.54 -1.92 115.29 126.03 3grb s HIS 31 Ca -0.10 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 3grb s HIS 31 Cb -0.13 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.81 3grb s HIS 31 CO 0.02 -0.15 -0.08 0.08 -0.85 0.00 0.00 174.74 173.75 3grb s VAL 32 N -0.03 3.56 0.10 -0.90 1.01 0.13 -0.45 120.40 123.84 3grb s VAL 32 Ca -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3grb s VAL 32 Cb -0.14 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3grb s VAL 32 CO 0.04 0.60 -0.13 -0.36 0.00 0.00 0.00 175.10 175.25 3grb s PHE 33 N -0.77 1.27 -0.05 5.22 0.40 0.19 -1.06 117.98 123.18 3grb s PHE 33 Ca 0.12 -0.55 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 3grb s PHE 33 Cb -0.11 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.73 3grb s PHE 33 CO 0.01 0.09 -0.22 0.50 0.70 0.00 0.00 175.22 176.30 3grb s ARG 34 N -2.45 2.27 0.02 0.44 3.52 0.10 -0.41 118.95 122.44 3grb s ARG 34 Ca 0.05 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 3grb s ARG 34 Cb -0.06 -1.94 -0.06 0.00 -1.56 0.00 0.00 34.95 31.34 3grb s ARG 34 CO 0.02 0.33 1.35 0.21 -0.81 0.00 0.00 175.30 176.40 3grb s LYS 35 N -0.09 4.32 0.39 5.12 2.36 0.11 -0.88 119.74 131.07 3grb s LYS 35 Ca -0.04 1.92 0.06 0.00 -2.55 0.00 0.00 55.97 55.36 3grb s LYS 35 Cb -0.13 -3.49 0.00 0.00 -1.05 0.00 0.00 37.83 33.17 3grb s LYS 35 CO 0.03 -0.49 0.55 0.00 1.55 0.00 0.00 175.35 176.99 3grb s ALA 36 N 1.98 4.23 0.54 3.13 0.00 0.13 -4.72 121.76 127.05 3grb s ALA 36 Ca 0.62 -1.46 0.34 0.00 0.00 0.00 0.00 51.96 51.47 3grb s ALA 36 Cb -0.31 -1.76 1.90 0.00 0.00 0.00 0.00 23.12 22.95 3grb s ALA 36 CO 0.27 -0.20 2.23 0.00 0.00 0.00 0.00 175.76 178.06 3grb h ALA 37 N 0.69 1.27 -0.33 0.00 0.00 -1.95 -0.73 119.26 118.22 3grb h ALA 37 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3grb h ALA 37 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3grb h ALA 37 CO 0.51 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.40 3grb n ASP 38 N -3.51 2.99 -0.62 0.00 5.68 -1.26 -4.86 116.55 114.97 3grb n ASP 38 Ca -0.02 -2.32 -0.08 0.00 -0.50 0.00 0.00 54.79 51.87 3grb n ASP 38 Cb 0.13 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.59 3grb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3grb n ASP 39 N 0.43 -4.18 -4.93 -1.12 8.00 -0.28 -5.03 116.55 109.45 3grb n ASP 39 Ca 0.14 0.20 -0.29 0.00 0.71 0.00 0.00 54.79 55.55 3grb n ASP 39 Cb 0.60 -2.39 -0.04 0.00 -0.02 0.00 0.00 41.12 39.27 3grb n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3grb s THR 40 N -2.23 5.33 -0.33 -3.53 -4.23 -1.21 -4.86 115.64 104.57 3grb s THR 40 Ca 0.00 -0.45 -0.23 0.00 -1.18 0.00 0.00 61.69 59.83 3grb s THR 40 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 3grb s THR 40 CO 0.00 0.02 0.77 0.26 -0.54 0.00 0.00 174.62 175.13 3grb s TRP 41 N -1.64 3.16 -0.17 3.99 0.52 -1.26 0.22 118.94 123.76 3grb s TRP 41 Ca 0.36 0.66 -0.18 0.00 0.02 0.00 0.00 56.10 56.96 3grb s TRP 41 Cb -0.12 -3.28 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 3grb s TRP 41 CO 0.28 -0.64 0.47 -2.00 0.02 0.00 0.00 176.95 175.09 3grb s GLU 42 N 2.99 4.24 0.24 4.98 2.12 -0.06 -4.87 118.70 128.34 3grb s GLU 42 Ca 0.31 0.38 -0.31 0.00 0.36 0.00 0.00 54.97 55.71 3grb s GLU 42 Cb -0.14 -3.51 -0.14 0.00 0.26 0.00 0.00 34.13 30.61 3grb s GLU 42 CO 0.14 -0.01 1.32 -2.30 -0.54 0.00 0.00 175.26 173.88 3grb n PRO 43 N 4.29 1.83 0.00 4.30 -0.02 -1.26 -0.73 135.00 143.41 3grb n PRO 43 Ca -0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3grb n PRO 43 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3grb n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3grb n PHE 44 N 1.59 0.00 -3.58 6.00 7.35 -0.22 -4.80 117.46 123.80 3grb n PHE 44 Ca 0.12 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.75 3grb n PHE 44 Cb 0.31 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.11 3grb n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3grb s ALA 45 N -1.77 -2.02 0.30 3.13 0.00 -1.14 -5.00 121.76 115.27 3grb s ALA 45 Ca 0.00 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 3grb s ALA 45 Cb 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3grb s ALA 45 CO 0.00 -0.55 0.62 -1.54 0.00 0.00 0.00 175.76 174.29 3grb s SER 46 N -2.03 0.03 0.00 0.00 1.04 -1.26 0.22 113.70 111.70 3grb s SER 46 Ca 0.08 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3grb s SER 46 Cb -0.01 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3grb s SER 46 CO -0.05 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.42 3grb n GLY 47 N -0.47 -1.40 3.21 7.32 0.00 -0.81 -4.97 105.19 108.08 3grb n GLY 47 Ca -0.04 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3grb n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3grb s LYS 48 N -1.32 1.00 0.63 1.61 1.02 -1.26 -0.97 119.74 120.44 3grb s LYS 48 Ca 0.00 -0.98 -0.18 0.00 0.02 0.00 0.00 55.97 54.83 3grb s LYS 48 Cb 0.00 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.18 3grb s LYS 48 CO 0.00 0.26 1.20 0.95 -0.92 0.00 0.00 175.35 176.85 3grb s THR 49 N -1.10 2.59 0.59 2.17 -4.23 -0.01 -4.79 115.64 110.86 3grb s THR 49 Ca 0.03 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 3grb s THR 49 Cb -0.09 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.82 3grb s THR 49 CO 0.03 -0.10 0.78 -1.54 -0.54 0.00 0.00 174.62 173.25 3grb n SER 50 N -1.88 -0.01 0.28 3.99 3.41 0.75 -1.24 113.62 118.93 3grb n SER 50 Ca 0.13 -1.27 0.19 0.00 -0.26 0.00 0.00 58.87 57.66 3grb n SER 50 Cb 0.50 -0.60 0.92 0.00 -0.26 0.00 0.00 64.21 64.77 3grb n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3grb h GLU 51 N 0.00 0.00 -0.25 4.33 5.08 -1.93 -1.09 114.58 120.72 3grb h GLU 51 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3grb h GLU 51 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3grb h GLU 51 CO 0.18 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.06 3grb n SER 52 N -2.91 2.78 -0.06 1.42 3.41 -1.26 -4.78 113.62 112.22 3grb n SER 52 Ca -0.01 -1.89 -0.01 0.00 -0.26 0.00 0.00 58.87 56.70 3grb n SER 52 Cb 0.15 -0.16 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3grb n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3grb n GLY 53 N 1.36 0.48 3.75 5.00 0.00 -0.41 -4.81 105.19 110.56 3grb n GLY 53 Ca 0.18 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 3grb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3grb s GLU 54 N -0.88 2.86 -0.21 1.61 2.02 -1.26 -0.68 118.70 122.16 3grb s GLU 54 Ca 0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 54.97 54.33 3grb s GLU 54 Cb 0.00 -2.72 0.06 0.00 0.10 0.00 0.00 34.13 31.57 3grb s GLU 54 CO 0.00 0.59 -0.03 -1.17 0.02 0.00 0.00 175.26 174.67 3grb s LEU 55 N -2.09 2.08 0.30 1.80 0.20 0.21 -0.17 118.68 121.00 3grb s LEU 55 Ca 0.26 -1.00 0.08 0.00 0.69 0.00 0.00 54.13 54.16 3grb s LEU 55 Cb -0.12 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.60 3grb s LEU 55 CO 0.18 -0.24 0.11 -1.00 -0.29 0.00 0.00 176.35 175.11 3grb s HIS 56 N 1.54 2.78 0.00 5.38 3.76 -1.26 -2.53 115.29 124.96 3grb s HIS 56 Ca -0.03 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 3grb s HIS 56 Cb -0.18 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.05 3grb s HIS 56 CO -0.07 0.45 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 3grb n GLY 57 N -1.09 0.40 0.30 -2.22 0.00 -1.26 -4.94 105.19 96.38 3grb n GLY 57 Ca -0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 3grb n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3grb h LEU 58 N 0.00 0.87 -8.22 0.99 3.38 -1.85 -3.48 115.31 107.01 3grb h LEU 58 Ca 0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3grb h LEU 58 Cb 0.00 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3grb h LEU 58 CO 0.00 0.90 0.02 0.28 0.09 0.00 0.00 178.44 179.73 3grb s THR 59 N -5.11 0.00 0.24 0.22 -1.32 -1.26 -4.80 115.64 103.60 3grb s THR 59 Ca -0.10 -1.29 0.10 0.00 -1.21 0.00 0.00 61.69 59.18 3grb s THR 59 Cb 0.15 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 3grb s THR 59 CO 0.82 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 173.60 3grb s THR 60 N -3.24 3.27 0.27 5.08 -4.23 -1.26 -4.55 115.64 110.98 3grb s THR 60 Ca 0.21 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 3grb s THR 60 Cb -0.03 -2.70 0.26 0.00 1.34 0.00 0.00 72.50 71.37 3grb s THR 60 CO 0.13 -0.29 1.78 -0.08 -0.54 0.00 0.00 174.62 175.62 3grb h GLU 61 N 2.26 0.71 -0.00 3.99 4.81 -1.99 -0.86 114.58 123.49 3grb h GLU 61 Ca -0.45 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.58 3grb h GLU 61 Cb 1.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3grb h GLU 61 CO 0.58 0.47 -0.77 1.05 -0.73 0.00 0.00 179.01 179.61 3grb h GLU 62 N 0.73 0.00 0.00 1.92 9.09 -2.03 -3.15 114.58 121.15 3grb h GLU 62 Ca 0.49 -0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.79 3grb h GLU 62 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.74 3grb h GLU 62 CO -0.34 0.77 -0.50 1.49 0.05 0.00 0.00 179.01 180.48 3grb h GLU 63 N 0.00 0.00 -3.56 1.06 4.81 -1.72 -3.37 114.58 111.80 3grb h GLU 63 Ca -0.01 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 3grb h GLU 63 Cb 1.36 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 3grb h GLU 63 CO 0.10 0.50 2.76 0.34 -0.73 0.00 0.00 179.01 181.98 3grb n PHE 64 N -3.41 3.08 -1.45 0.92 7.35 -0.42 -4.94 117.46 118.60 3grb n PHE 64 Ca 0.01 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.49 3grb n PHE 64 Cb 0.65 -2.26 0.09 0.00 0.35 0.00 0.00 39.48 38.31 3grb n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3grb s VAL 65 N 1.63 3.18 0.38 -2.13 -7.23 -1.26 -4.96 120.40 110.01 3grb s VAL 65 Ca 0.48 0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 60.75 3grb s VAL 65 Cb 0.13 -3.05 -0.11 0.00 0.56 0.00 0.00 36.38 33.92 3grb s VAL 65 CO -0.05 -0.50 1.50 -1.61 -0.31 0.00 0.00 175.10 174.13 3grb s GLU 66 N -5.06 4.09 0.00 4.82 2.02 -1.26 -4.85 118.70 118.46 3grb s GLU 66 Ca 0.61 2.60 0.00 0.00 0.02 0.00 0.00 54.97 58.20 3grb s GLU 66 Cb -0.15 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.11 3grb s GLU 66 CO 0.55 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3grb n GLY 67 N 0.46 -1.34 3.43 -1.39 0.00 -1.23 -5.01 105.19 100.12 3grb n GLY 67 Ca 0.01 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 3grb n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grb s ILE 68 N -3.00 3.81 -0.02 -0.61 1.01 -1.26 -0.16 121.20 120.97 3grb s ILE 68 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3grb s ILE 68 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3grb s ILE 68 CO 0.00 0.44 -0.18 -0.31 0.00 0.00 0.00 174.94 174.90 3grb s TYR 69 N 0.92 2.59 -0.10 3.97 1.51 0.09 0.06 117.35 126.39 3grb s TYR 69 Ca 0.00 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3grb s TYR 69 Cb -0.14 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 3grb s TYR 69 CO 0.02 0.17 -0.17 0.21 -1.11 0.00 0.00 175.55 174.66 3grb s LYS 70 N -0.93 3.00 -0.20 -0.62 2.20 0.45 -1.18 119.74 122.46 3grb s LYS 70 Ca 0.12 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.94 3grb s LYS 70 Cb -0.10 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 3grb s LYS 70 CO 0.02 0.32 -0.04 0.08 -0.36 0.00 0.00 175.35 175.37 3grb s VAL 71 N 0.03 3.51 -0.18 4.02 1.01 0.89 -0.64 120.40 129.04 3grb s VAL 71 Ca -0.06 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3grb s VAL 71 Cb -0.15 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3grb s VAL 71 CO 0.05 0.44 -0.07 -1.61 0.00 0.00 0.00 175.10 173.91 3grb s GLU 72 N 1.15 3.44 -0.22 2.72 2.02 0.41 -0.69 118.70 127.51 3grb s GLU 72 Ca 0.02 -0.62 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 3grb s GLU 72 Cb -0.15 -2.87 -0.02 0.00 0.10 0.00 0.00 34.13 31.19 3grb s GLU 72 CO -0.00 0.02 0.02 0.42 0.02 0.00 0.00 175.26 175.73 3grb s ILE 73 N 0.90 3.96 0.08 -1.63 1.01 0.88 -0.34 121.20 126.05 3grb s ILE 73 Ca -0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3grb s ILE 73 Cb -0.15 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 3grb s ILE 73 CO 0.01 0.39 1.09 -0.62 0.00 0.00 0.00 174.94 175.81 3grb s ASP 74 N 1.34 7.24 0.00 3.58 2.15 -0.17 -0.65 116.67 130.16 3grb s ASP 74 Ca 0.04 1.92 0.00 0.00 0.43 0.00 0.00 52.55 54.94 3grb s ASP 74 Cb -0.15 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3grb s ASP 74 CO 0.01 -0.32 0.15 0.35 -0.17 0.00 0.00 175.17 175.19 3grb n THR 75 N 3.44 0.00 -0.12 1.71 -2.24 -0.54 -4.66 114.28 111.88 3grb n THR 75 Ca 0.06 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 3grb n THR 75 Cb 0.48 1.11 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 3grb n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3grb h LYS 76 N 0.00 -0.38 -0.12 -0.78 3.64 -1.72 -2.24 116.57 114.98 3grb h LYS 76 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3grb h LYS 76 Cb 0.05 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3grb h LYS 76 CO 0.00 -0.25 0.00 -1.13 -2.27 0.00 0.00 179.45 175.80 3grb n SER 77 N -5.40 2.72 0.14 4.20 3.41 -1.26 -4.45 113.62 112.97 3grb n SER 77 Ca -0.03 -1.81 0.14 0.00 -0.26 0.00 0.00 58.87 56.91 3grb n SER 77 Cb 0.35 -0.06 0.67 0.00 -0.26 0.00 0.00 64.21 64.91 3grb n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3grb h TYR 78 N 3.61 0.00 -0.02 7.33 3.20 -1.72 -2.02 116.97 127.34 3grb h TYR 78 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3grb h TYR 78 Cb 0.79 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3grb h TYR 78 CO 0.06 0.00 -0.27 0.91 -1.64 0.00 0.00 178.16 177.22 3grb n TRP 79 N -4.45 0.00 -0.31 -3.82 5.03 -1.26 -4.62 117.44 108.02 3grb n TRP 79 Ca 0.03 0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.55 3grb n TRP 79 Cb 0.34 -0.01 0.11 0.00 -1.03 0.00 0.00 31.31 30.72 3grb n TRP 79 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 3grb h LYS 80 N 3.03 1.02 0.00 -0.99 3.64 -1.53 0.24 116.57 121.98 3grb h LYS 80 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3grb h LYS 80 Cb 0.79 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3grb h LYS 80 CO 0.00 0.68 -0.00 0.00 -2.27 0.00 0.00 179.45 177.85 3grb h ALA 81 N 1.36 1.04 0.00 5.00 0.00 -1.82 -0.10 119.26 124.74 3grb h ALA 81 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3grb h ALA 81 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3grb h ALA 81 CO -0.12 0.01 -0.16 1.28 0.00 0.00 0.00 179.25 180.25 3grb n LEU 82 N -3.14 0.55 -0.38 0.00 4.77 0.83 -4.92 117.00 114.70 3grb n LEU 82 Ca -0.02 0.44 -0.04 0.00 -0.03 0.00 0.00 56.01 56.36 3grb n LEU 82 Cb 0.12 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3grb n LEU 82 CO 0.22 -0.08 -0.04 0.61 -1.33 0.00 0.00 177.39 176.76 3grb n GLY 83 N 1.38 0.46 3.24 -0.72 0.00 -0.05 -5.05 105.19 104.45 3grb n GLY 83 Ca 0.06 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3grb n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3grb s ILE 84 N -2.17 2.00 -0.11 -0.61 1.01 -1.22 -5.06 121.20 115.03 3grb s ILE 84 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 3grb s ILE 84 Cb 0.00 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 3grb s ILE 84 CO 0.00 0.55 0.33 -0.94 0.00 0.00 0.00 174.94 174.88 3grb s SER 85 N -0.00 6.55 0.92 3.58 1.04 -1.26 -4.22 113.70 120.31 3grb s SER 85 Ca -0.08 0.65 -0.14 0.00 0.48 0.00 0.00 55.95 56.86 3grb s SER 85 Cb -0.15 -2.20 0.15 0.00 0.10 0.00 0.00 66.02 63.93 3grb s SER 85 CO 0.05 0.17 1.21 -2.16 0.98 0.00 0.00 173.24 173.49 3grb s PRO 86 N -0.01 1.01 0.57 4.02 0.04 -1.26 -4.95 135.00 134.42 3grb s PRO 86 Ca 0.19 -0.05 0.31 0.00 0.04 0.00 0.00 61.00 61.49 3grb s PRO 86 Cb -0.14 -1.86 1.75 0.00 0.04 0.00 0.00 34.50 34.29 3grb s PRO 86 CO 0.07 -2.22 2.19 0.00 0.04 0.00 0.00 177.00 177.08 3grb h MET 87 N -1.51 0.00 -2.44 4.56 -0.00 -1.33 -3.45 114.93 110.77 3grb h MET 87 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 3grb h MET 87 Cb 1.29 0.00 -0.16 0.00 -0.00 0.00 0.00 31.60 32.74 3grb h MET 87 CO 0.52 0.05 0.29 -1.58 -0.00 0.00 0.00 176.91 176.18 3grb s HIS 88 N -4.37 -0.53 -1.03 -0.10 5.65 -1.26 -5.05 115.29 108.60 3grb s HIS 88 Ca -0.04 0.58 0.19 0.00 0.25 0.00 0.00 55.06 56.03 3grb s HIS 88 Cb 0.14 0.50 0.81 0.00 -1.18 0.00 0.00 32.58 32.85 3grb s HIS 88 CO 0.54 -0.68 1.60 -0.85 -0.65 0.00 0.00 174.74 174.70 3grb n GLU 89 N 0.13 0.02 -4.15 2.88 0.00 -1.26 -4.55 120.64 113.72 3grb n GLU 89 Ca -0.16 0.17 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 3grb n GLU 89 Cb 0.61 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.45 3grb n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3grb s HIS 90 N -2.97 0.93 -0.17 -1.84 3.76 -1.26 -1.46 115.29 112.29 3grb s HIS 90 Ca 0.10 -0.66 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 3grb s HIS 90 Cb 0.12 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.25 3grb s HIS 90 CO 0.34 -0.05 0.07 0.00 -0.85 0.00 0.00 174.74 174.24 3grb s ALA 91 N -2.38 3.46 0.01 -1.40 0.00 0.17 -4.85 121.76 116.77 3grb s ALA 91 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.30 3grb s ALA 91 Cb -0.03 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 3grb s ALA 91 CO -0.01 0.27 -0.16 -1.21 0.00 0.00 0.00 175.76 174.66 3grb s GLU 92 N 0.07 1.21 -0.05 0.00 8.01 -1.26 -0.08 118.70 126.60 3grb s GLU 92 Ca 0.06 -0.65 0.02 0.00 0.01 0.00 0.00 54.97 54.40 3grb s GLU 92 Cb -0.12 -1.20 0.02 0.00 -4.31 0.00 0.00 34.13 28.52 3grb s GLU 92 CO 0.01 0.32 -0.07 0.08 0.01 0.00 0.00 175.26 175.60 3grb s VAL 93 N -0.53 0.75 -0.09 2.63 1.01 0.13 -4.98 120.40 119.32 3grb s VAL 93 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3grb s VAL 93 Cb -0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3grb s VAL 93 CO 0.00 0.27 -0.09 -0.69 0.00 0.00 0.00 175.10 174.59 3grb s VAL 94 N 0.77 3.46 0.03 2.92 1.01 -1.26 -0.08 120.40 127.25 3grb s VAL 94 Ca -0.12 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3grb s VAL 94 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 3grb s VAL 94 CO 0.02 0.56 -0.06 0.72 0.00 0.00 0.00 175.10 176.33 3grb s PHE 95 N -0.34 0.55 -0.22 5.22 -0.71 -0.33 -5.00 117.98 117.15 3grb s PHE 95 Ca 0.04 -0.49 -0.12 0.00 -1.04 0.00 0.00 56.93 55.32 3grb s PHE 95 Cb -0.12 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.30 3grb s PHE 95 CO 0.02 -0.11 0.23 0.99 -1.34 0.00 0.00 175.22 175.02 3grb s THR 96 N -1.35 5.32 0.20 -4.49 2.01 -1.26 -0.73 115.64 115.34 3grb s THR 96 Ca -0.11 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.32 3grb s THR 96 Cb -0.10 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3grb s THR 96 CO 0.00 0.33 0.00 0.00 -0.69 0.00 0.00 174.62 174.26 3grb s ALA 97 N 1.05 3.19 -1.01 7.40 0.00 0.77 -4.87 121.76 128.29 3grb s ALA 97 Ca 0.11 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.54 3grb s ALA 97 Cb -0.14 -0.93 0.07 0.00 0.00 0.00 0.00 23.12 22.13 3grb s ALA 97 CO 0.05 0.41 0.32 0.09 0.00 0.00 0.00 175.76 176.63 3grb n ASN 98 N -0.37 -2.68 -4.71 0.00 5.03 -1.26 -3.47 115.26 107.80 3grb n ASN 98 Ca -0.09 -0.23 -0.34 0.00 0.87 0.00 0.00 54.58 54.80 3grb n ASN 98 Cb 0.56 -2.29 0.11 0.00 -1.02 0.00 0.00 39.78 37.15 3grb n ASN 98 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3grb s ASP 99 N -2.53 3.86 -0.63 6.41 -0.00 -1.26 -4.22 116.67 118.29 3grb s ASP 99 Ca 0.32 2.36 -0.02 0.00 -0.00 0.00 0.00 52.55 55.20 3grb s ASP 99 Cb -0.18 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 3grb s ASP 99 CO 0.39 -2.49 0.54 -1.20 -0.00 0.00 0.00 175.17 172.41 3grb n SER 100 N -3.06 -3.15 0.00 0.27 7.64 -1.26 -4.79 113.62 109.26 3grb n SER 100 Ca 0.13 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.73 3grb n SER 100 Cb 0.50 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.96 3grb n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3grb n GLY 101 N -1.16 -0.33 3.75 0.23 0.00 -1.26 -4.83 105.19 101.59 3grb n GLY 101 Ca -0.06 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3grb n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3grb s PRO 102 N 0.00 4.64 -0.00 1.61 0.04 -1.26 -4.83 135.00 135.19 3grb s PRO 102 Ca 0.00 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 3grb s PRO 102 Cb 0.00 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 3grb s PRO 102 CO 0.00 0.38 0.02 1.03 0.04 0.00 0.00 177.00 178.48 3grb s ARG 103 N -0.54 0.17 -0.08 4.56 0.52 -1.26 -4.36 118.95 117.96 3grb s ARG 103 Ca 0.41 -0.21 -0.09 0.00 -0.52 0.00 0.00 55.73 55.31 3grb s ARG 103 Cb -0.23 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 3grb s ARG 103 CO 0.27 -0.03 0.22 1.03 0.02 0.00 0.00 175.30 176.81 3grb s ARG 104 N -0.61 3.57 -0.08 3.54 0.52 -0.38 -4.90 118.95 120.61 3grb s ARG 104 Ca -0.07 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.20 3grb s ARG 104 Cb -0.04 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 3grb s ARG 104 CO -0.00 0.75 -0.23 0.71 0.02 0.00 0.00 175.30 176.55 3grb s TYR 105 N -1.06 2.53 -0.19 -0.53 1.51 0.72 -1.44 117.35 118.89 3grb s TYR 105 Ca 0.18 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.41 3grb s TYR 105 Cb -0.13 -1.66 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 3grb s TYR 105 CO 0.07 -0.28 -0.12 0.99 -1.11 0.00 0.00 175.55 175.10 3grb s THR 106 N 0.05 2.77 -0.33 -0.71 2.01 -0.51 -1.08 115.64 117.84 3grb s THR 106 Ca -0.10 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.07 3grb s THR 106 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3grb s THR 106 CO 0.06 0.49 0.24 -0.63 -0.69 0.00 0.00 174.62 174.08 3grb s ILE 107 N 1.24 5.29 -0.18 1.82 -1.09 0.02 -0.75 121.20 127.54 3grb s ILE 107 Ca 0.03 -0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 3grb s ILE 107 Cb -0.14 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 3grb s ILE 107 CO -0.06 0.05 -0.06 0.00 -1.23 0.00 0.00 174.94 173.64 3grb s ALA 108 N 1.75 2.85 -0.13 9.38 0.00 -0.14 -0.74 121.76 134.73 3grb s ALA 108 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3grb s ALA 108 Cb -0.17 -1.55 0.02 0.00 0.00 0.00 0.00 23.12 21.42 3grb s ALA 108 CO 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 175.76 175.69 3grb s ALA 109 N 0.81 1.76 -0.33 0.00 0.00 0.37 -0.84 121.76 123.54 3grb s ALA 109 Ca -0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 3grb s ALA 109 Cb -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3grb s ALA 109 CO 0.02 -0.26 0.10 -1.64 0.00 0.00 0.00 175.76 173.97 3grb s MET 110 N 1.30 2.74 -0.14 0.00 -1.94 0.63 -0.83 119.30 121.06 3grb s MET 110 Ca 0.00 -1.09 -0.05 0.00 -1.71 0.00 0.00 55.69 52.84 3grb s MET 110 Cb -0.14 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 3grb s MET 110 CO -0.07 -0.61 0.03 -0.51 -0.01 0.00 0.00 175.02 173.86 3grb s LEU 111 N 1.43 3.70 0.24 -0.03 1.43 -0.36 -1.58 118.68 123.51 3grb s LEU 111 Ca -0.01 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3grb s LEU 111 Cb -0.19 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 3grb s LEU 111 CO 0.03 0.27 -0.06 -0.44 0.23 0.00 0.00 176.35 176.39 3grb s SER 112 N -0.25 2.29 0.34 2.29 0.01 0.01 -0.97 113.70 117.43 3grb s SER 112 Ca 0.07 -1.16 0.11 0.00 1.31 0.00 0.00 55.95 56.28 3grb s SER 112 Cb -0.12 -0.08 0.91 0.00 0.21 0.00 0.00 66.02 66.93 3grb s SER 112 CO 0.02 -0.38 1.77 -0.65 0.41 0.00 0.00 173.24 174.41 3grb h PRO 113 N 2.44 0.57 0.00 12.44 0.11 -1.98 -3.04 132.00 142.55 3grb h PRO 113 Ca -0.39 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 3grb h PRO 113 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3grb h PRO 113 CO 0.65 0.38 -0.12 0.66 -0.21 0.00 0.00 178.00 179.35 3grb n TYR 114 N -4.73 0.00 -3.60 0.65 4.02 -1.26 -0.81 117.16 111.43 3grb n TYR 114 Ca 0.24 -0.88 -0.15 0.00 -0.01 0.00 0.00 57.90 57.10 3grb n TYR 114 Cb 0.70 -0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.81 3grb n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3grb s SER 115 N -2.62 -0.70 0.04 7.72 0.15 -1.15 -5.00 113.70 112.15 3grb s SER 115 Ca 0.28 1.16 -0.07 0.00 0.70 0.00 0.00 55.95 58.02 3grb s SER 115 Cb 0.25 1.12 -0.00 0.00 -1.71 0.00 0.00 66.02 65.68 3grb s SER 115 CO 0.02 -0.36 0.14 -0.72 1.20 0.00 0.00 173.24 173.51 3grb s TYR 116 N -0.16 0.13 -0.12 3.44 1.13 -1.26 -0.81 117.35 119.70 3grb s TYR 116 Ca -0.04 -0.40 0.03 0.00 -1.41 0.00 0.00 57.07 55.25 3grb s TYR 116 Cb -0.03 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 3grb s TYR 116 CO 0.04 -0.40 -0.23 -1.12 -2.51 0.00 0.00 175.55 171.33 3grb s SER 117 N -2.12 3.09 -0.08 -0.18 0.01 -0.61 -4.99 113.70 108.82 3grb s SER 117 Ca -0.05 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3grb s SER 117 Cb -0.01 -1.42 0.02 0.00 0.21 0.00 0.00 66.02 64.82 3grb s SER 117 CO -0.04 0.13 -0.06 0.42 0.41 0.00 0.00 173.24 174.09 3grb s THR 118 N 0.54 0.81 -0.03 1.44 -4.23 -1.26 -0.27 115.64 112.64 3grb s THR 118 Ca -0.14 -0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 3grb s THR 118 Cb -0.17 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 3grb s THR 118 CO 0.04 0.31 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.34 3grb s THR 119 N 1.32 1.63 -0.25 3.99 2.01 -0.02 -4.98 115.64 119.35 3grb s THR 119 Ca -0.03 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 3grb s THR 119 Cb -0.14 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3grb s THR 119 CO -0.03 0.46 0.10 0.00 -0.69 0.00 0.00 174.62 174.46 3grb s ALA 120 N -0.31 3.29 -0.29 7.40 0.00 -1.26 -0.96 121.76 129.63 3grb s ALA 120 Ca 0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 3grb s ALA 120 Cb -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.86 3grb s ALA 120 CO 0.01 -0.41 0.09 0.08 0.00 0.00 0.00 175.76 175.53 3grb s VAL 121 N 1.48 4.15 -0.20 0.00 1.01 0.07 -4.97 120.40 121.94 3grb s VAL 121 Ca 0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 3grb s VAL 121 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3grb s VAL 121 CO 0.05 0.12 -0.13 -0.69 0.00 0.00 0.00 175.10 174.45 3grb s VAL 122 N 1.54 2.63 0.11 2.92 1.01 -1.26 -1.43 120.40 125.92 3grb s VAL 122 Ca 0.04 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3grb s VAL 122 Cb -0.17 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3grb s VAL 122 CO 0.03 0.46 -0.21 0.42 0.00 0.00 0.00 175.10 175.81 3grb s THR 123 N 1.36 1.73 -0.36 3.92 -4.23 -0.52 -4.97 115.64 112.57 3grb s THR 123 Ca 0.05 -1.57 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 3grb s THR 123 Cb -0.14 -1.58 0.01 0.00 1.34 0.00 0.00 72.50 72.13 3grb s THR 123 CO -0.08 -0.07 0.23 0.21 -0.54 0.00 0.00 174.62 174.36 3grb s ASN 124 N -1.95 5.86 0.00 3.99 3.84 -1.26 -1.25 114.94 124.17 3grb s ASN 124 Ca 0.07 -0.74 0.30 0.00 0.21 0.00 0.00 52.86 52.70 3grb s ASN 124 Cb -0.10 -2.08 1.79 0.00 -0.55 0.00 0.00 41.25 40.32 3grb s ASN 124 CO 0.04 -0.33 2.12 -0.81 -2.79 0.00 0.00 177.10 175.34