#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 0.35 -3.16 0.00 0.11 -1.90 -3.41 132.00 123.99 3grb h PRO 11 Ca 0.00 -0.08 -0.30 0.00 0.11 0.00 0.00 66.00 65.73 3grb h PRO 11 Cb 0.00 -0.05 -0.35 0.00 0.11 0.00 0.00 31.00 30.71 3grb h PRO 11 CO 0.00 0.45 -0.65 -1.17 -0.21 0.00 0.00 178.00 176.42 3grb s LEU 12 N -8.87 0.13 0.01 2.35 2.96 -1.26 -0.46 118.68 113.53 3grb s LEU 12 Ca -0.06 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.19 3grb s LEU 12 Cb 0.15 0.22 -0.02 0.00 0.50 0.00 0.00 46.19 47.05 3grb s LEU 12 CO 0.75 -0.23 -0.16 -0.32 -1.32 0.00 0.00 176.35 175.07 3grb s MET 13 N 2.05 1.23 -0.09 1.98 -2.45 -0.01 -4.32 119.30 117.69 3grb s MET 13 Ca 0.01 -0.68 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 3grb s MET 13 Cb -0.12 -1.23 -0.00 0.00 1.25 0.00 0.00 34.83 34.73 3grb s MET 13 CO -0.05 0.33 -0.23 0.08 1.05 0.00 0.00 175.02 176.20 3grb s VAL 14 N -0.56 1.94 -0.08 10.11 1.01 -0.92 -0.53 120.40 131.37 3grb s VAL 14 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3grb s VAL 14 Cb -0.07 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.64 3grb s VAL 14 CO 0.00 0.54 -0.15 -0.75 0.00 0.00 0.00 175.10 174.74 3grb s LYS 15 N 0.27 2.03 -0.13 2.72 2.20 0.21 -0.03 119.74 127.01 3grb s LYS 15 Ca -0.15 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 3grb s LYS 15 Cb -0.17 -1.65 0.01 0.00 -1.51 0.00 0.00 37.83 34.51 3grb s LYS 15 CO 0.07 0.04 -0.20 0.08 -0.36 0.00 0.00 175.35 174.98 3grb s VAL 16 N 0.68 1.91 -0.05 4.02 1.01 0.43 -0.38 120.40 128.02 3grb s VAL 16 Ca -0.14 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3grb s VAL 16 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3grb s VAL 16 CO 0.04 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 3grb s LEU 17 N 0.85 2.92 -0.50 3.92 1.43 0.17 -1.70 118.68 125.77 3grb s LEU 17 Ca -0.07 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 3grb s LEU 17 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.48 3grb s LEU 17 CO -0.02 0.34 0.87 -0.62 0.23 0.00 0.00 176.35 177.16 3grb s ASP 18 N -0.84 6.39 0.10 2.29 -1.08 0.16 -0.69 116.67 123.00 3grb s ASP 18 Ca 0.12 -0.21 0.27 0.00 -0.52 0.00 0.00 52.55 52.22 3grb s ASP 18 Cb -0.11 -2.41 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 3grb s ASP 18 CO 0.02 -1.07 1.76 0.00 0.52 0.00 0.00 175.17 176.39 3grb n ALA 19 N 7.09 2.48 0.10 3.66 0.00 0.14 -1.34 120.51 132.63 3grb n ALA 19 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 3grb n ALA 19 Cb 0.48 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 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 1.25 0.00 0.00 2.07 -1.92 -3.38 116.25 114.26 3grb h VAL 20 Ca 0.00 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.93 3grb h VAL 20 Cb 0.63 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3grb h VAL 20 CO 0.00 0.79 -1.15 0.54 0.02 0.00 0.00 177.57 177.77 3grb n ARG 21 N -3.82 0.74 -2.57 1.57 1.74 -1.23 -5.02 116.66 108.07 3grb n ARG 21 Ca -0.19 -0.05 -0.07 0.00 -0.77 0.00 0.00 57.85 56.77 3grb n ARG 21 Cb 1.01 -1.41 0.04 0.00 -1.02 0.00 0.00 32.46 31.08 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 1.43 0.07 3.26 -0.13 0.00 -0.45 -5.05 105.19 104.32 3grb n GLY 22 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3grb n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3grb s SER 23 N -3.53 -0.07 0.58 1.61 1.04 -1.15 -5.03 113.70 107.15 3grb s SER 23 Ca 0.03 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.84 3grb s SER 23 Cb -0.00 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 3grb s SER 23 CO 0.32 -0.75 1.34 -0.81 0.98 0.00 0.00 173.24 174.32 3grb n PRO 24 N 0.01 1.50 -3.02 4.02 -0.04 -1.26 -0.66 135.00 135.56 3grb n PRO 24 Ca -0.16 0.56 -0.43 0.00 -0.04 0.00 0.00 63.50 63.43 3grb n PRO 24 Cb 0.62 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.46 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 -1.32 3.37 -0.08 0.55 0.00 -0.69 -4.59 121.76 119.00 3grb s ALA 25 Ca 0.75 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 3grb s ALA 25 Cb -0.40 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3grb s ALA 25 CO 0.46 -1.68 0.05 0.42 0.00 0.00 0.00 175.76 175.01 3grb s ILE 26 N 3.05 4.67 -1.48 0.00 1.01 -1.26 -4.16 121.20 123.03 3grb s ILE 26 Ca 0.28 -0.15 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 3grb s ILE 26 Cb -0.13 -3.01 0.06 0.00 0.01 0.00 0.00 42.46 39.40 3grb s ILE 26 CO 0.19 0.58 1.00 0.59 0.00 0.00 0.00 174.94 177.30 3grb n ASN 27 N 1.98 -4.75 -4.77 3.58 3.02 -0.61 -4.93 115.26 108.77 3grb n ASN 27 Ca -0.18 -0.74 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 3grb n ASN 27 Cb 0.54 -4.12 -0.07 0.00 -0.61 0.00 0.00 39.78 35.51 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 -3.34 5.42 0.18 2.41 1.01 -1.26 -4.76 120.40 120.06 3grb s VAL 28 Ca 0.59 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 3grb s VAL 28 Cb -0.29 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 3grb s VAL 28 CO 0.81 0.49 1.21 0.00 0.00 0.00 0.00 175.10 177.61 3grb s ALA 29 N -0.04 3.44 -0.12 5.51 0.00 -1.26 -1.46 121.76 127.82 3grb s ALA 29 Ca 0.11 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3grb s ALA 29 Cb -0.12 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3grb s ALA 29 CO 0.00 -0.39 -0.11 0.08 0.00 0.00 0.00 175.76 175.34 3grb s VAL 30 N 0.02 1.28 -0.17 0.00 1.01 0.19 -1.41 120.40 121.32 3grb s VAL 30 Ca 0.53 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3grb s VAL 30 Cb -0.33 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3grb s VAL 30 CO 0.36 0.41 -0.13 -1.00 0.00 0.00 0.00 175.10 174.75 3grb s HIS 31 N 1.47 2.83 -0.07 5.22 3.76 -0.27 -1.51 115.29 126.72 3grb s HIS 31 Ca 0.02 -1.01 -0.02 0.00 -0.15 0.00 0.00 55.06 53.91 3grb s HIS 31 Cb -0.13 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 3grb s HIS 31 CO -0.07 -0.48 0.03 0.08 -0.85 0.00 0.00 174.74 173.44 3grb s VAL 32 N 0.95 4.49 0.11 -0.90 1.01 0.13 -0.81 120.40 125.38 3grb s VAL 32 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3grb s VAL 32 Cb -0.15 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3grb s VAL 32 CO -0.01 0.56 -0.13 -0.36 0.00 0.00 0.00 175.10 175.15 3grb s PHE 33 N -0.95 1.32 -0.03 5.22 0.40 0.09 -0.47 117.98 123.56 3grb s PHE 33 Ca 0.15 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 3grb s PHE 33 Cb -0.11 -0.70 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 3grb s PHE 33 CO 0.04 0.11 -0.19 0.50 0.70 0.00 0.00 175.22 176.38 3grb s ARG 34 N -2.61 1.76 -0.01 0.44 3.52 0.20 -1.03 118.95 121.21 3grb s ARG 34 Ca 0.07 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.69 3grb s ARG 34 Cb -0.05 -1.60 -0.06 0.00 -1.56 0.00 0.00 34.95 31.68 3grb s ARG 34 CO 0.02 0.34 1.58 0.21 -0.81 0.00 0.00 175.30 176.65 3grb s LYS 35 N -0.22 4.21 0.70 5.12 2.47 0.06 -0.84 119.74 131.25 3grb s LYS 35 Ca 0.02 2.16 0.00 0.00 -1.56 0.00 0.00 55.97 56.59 3grb s LYS 35 Cb -0.10 -3.77 0.12 0.00 -1.46 0.00 0.00 37.83 32.62 3grb s LYS 35 CO 0.01 -0.75 0.97 0.00 0.16 0.00 0.00 175.35 175.74 3grb s ALA 36 N 3.23 3.79 0.33 3.13 0.00 0.56 -4.74 121.76 128.06 3grb s ALA 36 Ca 0.71 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 51.00 3grb s ALA 36 Cb -0.34 -1.97 0.79 0.00 0.00 0.00 0.00 23.12 21.60 3grb s ALA 36 CO 0.29 -1.39 1.82 0.00 0.00 0.00 0.00 175.76 176.48 3grb h ALA 37 N -0.45 1.78 -0.36 0.00 0.00 -1.94 -1.51 119.26 116.79 3grb h ALA 37 Ca -0.36 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3grb h ALA 37 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3grb h ALA 37 CO 0.41 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.16 3grb n ASP 38 N -4.65 3.94 0.00 0.00 3.85 -1.26 -4.87 116.55 113.57 3grb n ASP 38 Ca 0.21 -2.57 0.00 0.00 -0.71 0.00 0.00 54.79 51.71 3grb n ASP 38 Cb 0.54 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3grb n ASP 38 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3grb n ASP 39 N 0.40 -4.01 -4.95 -1.12 10.43 -0.57 -5.00 116.55 111.72 3grb n ASP 39 Ca 0.17 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.30 3grb n ASP 39 Cb 0.84 -2.30 0.03 0.00 1.84 0.00 0.00 41.12 41.52 3grb n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3grb s THR 40 N -1.48 3.24 -0.36 -3.53 -4.23 -1.26 -4.76 115.64 103.26 3grb s THR 40 Ca 0.00 -0.49 -0.23 0.00 -1.18 0.00 0.00 61.69 59.79 3grb s THR 40 Cb 0.00 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.62 3grb s THR 40 CO 0.00 -0.18 0.78 0.26 -0.54 0.00 0.00 174.62 174.95 3grb s TRP 41 N -2.76 3.12 -0.15 3.99 0.52 -1.26 -0.32 118.94 122.08 3grb s TRP 41 Ca 0.54 0.58 -0.18 0.00 0.02 0.00 0.00 56.10 57.06 3grb s TRP 41 Cb -0.10 -3.38 -0.04 0.00 -1.15 0.00 0.00 33.47 28.80 3grb s TRP 41 CO 0.40 -0.72 0.50 -2.00 0.02 0.00 0.00 176.95 175.15 3grb s GLU 42 N 3.09 4.28 0.16 4.98 2.12 -0.02 -4.86 118.70 128.44 3grb s GLU 42 Ca 0.31 0.44 -0.34 0.00 0.36 0.00 0.00 54.97 55.74 3grb s GLU 42 Cb -0.13 -3.49 -0.15 0.00 0.26 0.00 0.00 34.13 30.62 3grb s GLU 42 CO 0.16 0.03 1.45 -2.30 -0.54 0.00 0.00 175.26 174.07 3grb n PRO 43 N 4.12 1.78 -0.01 4.30 -0.02 -1.26 -0.63 135.00 143.28 3grb n PRO 43 Ca -0.06 0.64 -0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3grb n PRO 43 Cb 0.51 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 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 2.75 0.00 -3.49 6.00 7.35 0.38 -4.80 117.46 125.64 3grb n PHE 44 Ca 0.16 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.71 3grb n PHE 44 Cb 0.26 -0.06 -0.04 0.00 0.35 0.00 0.00 39.48 39.99 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 -2.03 -1.74 0.11 3.13 0.00 -0.99 -5.01 121.76 115.23 3grb s ALA 45 Ca -0.02 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.83 3grb s ALA 45 Cb 0.01 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.41 3grb s ALA 45 CO 0.03 -0.53 0.38 -1.54 0.00 0.00 0.00 175.76 174.10 3grb s SER 46 N -1.84 -0.20 0.00 0.00 1.04 -1.26 0.17 113.70 111.62 3grb s SER 46 Ca -0.04 -0.30 -0.03 0.00 0.48 0.00 0.00 55.95 56.05 3grb s SER 46 Cb -0.00 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3grb s SER 46 CO -0.01 -0.80 0.15 0.61 0.98 0.00 0.00 173.24 174.17 3grb n GLY 47 N -0.07 0.73 3.19 7.32 0.00 -0.57 -4.97 105.19 110.83 3grb n GLY 47 Ca -0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.00 1.21 0.57 1.61 1.02 -1.26 -0.63 119.74 120.25 3grb s LYS 48 Ca 0.03 -0.81 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3grb s LYS 48 Cb -0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 3grb s LYS 48 CO 0.00 0.32 1.15 0.95 -0.92 0.00 0.00 175.35 176.85 3grb s THR 49 N -0.74 3.05 0.53 2.17 -4.23 -0.54 -4.74 115.64 111.14 3grb s THR 49 Ca 0.05 0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 61.11 3grb s THR 49 Cb -0.08 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.65 3grb s THR 49 CO 0.01 -0.16 0.72 -1.54 -0.54 0.00 0.00 174.62 173.11 3grb n SER 50 N -1.50 0.13 0.26 3.99 3.41 0.72 -1.58 113.62 119.05 3grb n SER 50 Ca 0.12 -1.30 0.18 0.00 -0.26 0.00 0.00 58.87 57.60 3grb n SER 50 Cb 0.51 -0.54 0.91 0.00 -0.26 0.00 0.00 64.21 64.82 3grb n SER 50 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3grb h GLU 51 N 0.00 0.00 -0.38 4.33 -0.00 -1.93 -0.98 114.58 115.62 3grb h GLU 51 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.13 3grb h GLU 51 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.41 3grb h GLU 51 CO 0.17 0.00 0.00 -1.13 -0.00 0.00 0.00 179.01 178.05 3grb n SER 52 N -2.75 2.87 -0.29 3.06 3.41 -1.26 -4.81 113.62 113.85 3grb n SER 52 Ca -0.02 -1.92 -0.04 0.00 -0.26 0.00 0.00 58.87 56.63 3grb n SER 52 Cb 0.10 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 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 1.38 0.63 3.76 5.00 0.00 -0.37 -4.79 105.19 110.80 3grb n GLY 53 Ca 0.18 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.66 3.06 -0.24 1.61 2.02 -1.26 -0.43 118.70 121.80 3grb s GLU 54 Ca 0.00 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3grb s GLU 54 Cb 0.00 -2.86 0.06 0.00 0.10 0.00 0.00 34.13 31.43 3grb s GLU 54 CO 0.00 0.67 -0.04 -1.17 0.02 0.00 0.00 175.26 174.75 3grb s LEU 55 N -1.44 2.56 0.37 1.80 0.20 0.96 -0.20 118.68 122.92 3grb s LEU 55 Ca 0.19 -1.22 0.08 0.00 0.69 0.00 0.00 54.13 53.87 3grb s LEU 55 Cb -0.12 -1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 44.47 3grb s LEU 55 CO 0.10 -0.25 0.35 -1.00 -0.29 0.00 0.00 176.35 175.25 3grb s HIS 56 N 1.41 2.84 -0.49 5.38 3.76 -1.26 -2.17 115.29 124.76 3grb s HIS 56 Ca -0.04 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3grb s HIS 56 Cb -0.19 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3grb s HIS 56 CO -0.07 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.26 3grb n GLY 57 N -1.48 0.74 0.30 -2.22 0.00 -1.26 -4.91 105.19 96.36 3grb n GLY 57 Ca 0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 0.93 -8.28 0.99 3.38 -1.85 -3.47 115.31 107.00 3grb h LEU 58 Ca -0.09 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 3grb h LEU 58 Cb 0.33 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3grb h LEU 58 CO 0.14 0.96 -0.02 0.28 0.09 0.00 0.00 178.44 179.90 3grb s THR 59 N -5.08 0.00 0.27 0.22 -1.32 -1.26 -4.72 115.64 103.75 3grb s THR 59 Ca -0.11 -1.35 0.12 0.00 -1.21 0.00 0.00 61.69 59.14 3grb s THR 59 Cb 0.14 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 3grb s THR 59 CO 0.83 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 173.48 3grb s THR 60 N -3.08 2.56 0.25 5.08 -4.23 -1.26 -4.59 115.64 110.37 3grb s THR 60 Ca 0.23 -2.31 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 3grb s THR 60 Cb -0.02 -2.33 0.22 0.00 1.34 0.00 0.00 72.50 71.71 3grb s THR 60 CO 0.15 -0.36 1.79 -0.08 -0.54 0.00 0.00 174.62 175.58 3grb h GLU 61 N 2.37 0.71 0.00 3.99 4.81 -1.99 -1.46 114.58 123.00 3grb h GLU 61 Ca -0.41 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3grb h GLU 61 Cb 1.25 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3grb h GLU 61 CO 0.58 0.47 -0.05 1.05 -0.73 0.00 0.00 179.01 180.33 3grb h GLU 62 N 0.73 0.00 0.00 1.92 9.09 -2.04 -2.97 114.58 121.31 3grb h GLU 62 Ca 0.41 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.61 3grb h GLU 62 Cb 0.45 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.52 3grb h GLU 62 CO -0.28 0.05 -1.05 0.93 0.05 0.00 0.00 179.01 178.71 3grb h GLU 63 N 0.00 0.00 -4.20 1.06 5.08 -1.78 -3.42 114.58 111.32 3grb h GLU 63 Ca -0.00 -0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.62 3grb h GLU 63 Cb 0.82 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.92 3grb h GLU 63 CO 0.01 0.97 1.85 0.34 -1.00 0.00 0.00 179.01 181.17 3grb n PHE 64 N -3.33 3.92 -2.16 4.33 7.35 -0.62 -4.97 117.46 121.98 3grb n PHE 64 Ca -0.01 -3.03 -0.26 0.00 -0.76 0.00 0.00 57.45 53.38 3grb n PHE 64 Cb 0.95 -2.14 0.08 0.00 0.35 0.00 0.00 39.48 38.72 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 1.32 2.22 0.52 -2.13 -7.23 -1.26 -4.96 120.40 108.88 3grb s VAL 65 Ca 0.42 -0.24 -0.22 0.00 -1.81 0.00 0.00 61.98 60.14 3grb s VAL 65 Cb 0.05 -2.98 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 3grb s VAL 65 CO 0.00 0.00 1.14 -0.62 -0.31 0.00 0.00 175.10 175.32 3grb n GLU 66 N -3.01 1.40 -3.83 4.82 1.02 -1.26 -4.83 120.64 114.95 3grb n GLU 66 Ca 0.09 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 3grb n GLU 66 Cb 0.60 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3grb n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3grb n GLY 67 N 1.03 -1.24 3.44 0.62 0.00 -1.18 -4.99 105.19 102.87 3grb n GLY 67 Ca 0.11 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 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 3.85 0.06 -0.61 1.01 -1.26 -0.56 121.20 120.68 3grb s ILE 68 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.38 3grb s ILE 68 Cb 0.00 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 3grb s ILE 68 CO 0.00 0.44 -0.24 -0.31 0.00 0.00 0.00 174.94 174.83 3grb s TYR 69 N 0.91 2.39 -0.14 3.97 1.51 0.06 -0.76 117.35 125.30 3grb s TYR 69 Ca 0.00 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 3grb s TYR 69 Cb -0.14 -1.40 0.00 0.00 -0.11 0.00 0.00 41.96 40.32 3grb s TYR 69 CO 0.02 0.19 -0.20 0.21 -1.11 0.00 0.00 175.55 174.66 3grb s LYS 70 N -1.41 3.09 -0.29 -0.62 2.20 -0.20 -1.07 119.74 121.44 3grb s LYS 70 Ca 0.13 -0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 3grb s LYS 70 Cb -0.10 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 3grb s LYS 70 CO 0.04 0.04 0.23 0.08 -0.36 0.00 0.00 175.35 175.37 3grb s VAL 71 N 0.71 5.28 -0.28 4.02 1.01 0.58 -0.73 120.40 130.99 3grb s VAL 71 Ca -0.09 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 3grb s VAL 71 Cb -0.16 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3grb s VAL 71 CO 0.01 0.19 0.05 -0.70 0.00 0.00 0.00 175.10 174.65 3grb s GLU 72 N 1.81 3.11 -0.22 2.72 2.12 0.01 -0.79 118.70 127.46 3grb s GLU 72 Ca 0.08 -0.84 -0.08 0.00 0.36 0.00 0.00 54.97 54.49 3grb s GLU 72 Cb -0.16 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 3grb s GLU 72 CO 0.11 -0.41 0.09 0.42 -0.54 0.00 0.00 175.26 174.93 3grb s ILE 73 N 1.48 4.84 -0.68 -3.70 1.01 0.52 -1.11 121.20 123.55 3grb s ILE 73 Ca 0.03 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 3grb s ILE 73 Cb -0.17 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.12 3grb s ILE 73 CO 0.01 0.39 1.14 -0.62 0.00 0.00 0.00 174.94 175.87 3grb s ASP 74 N 0.90 6.21 0.00 3.58 2.15 -0.50 -0.90 116.67 128.11 3grb s ASP 74 Ca 0.05 -0.54 0.15 0.00 0.43 0.00 0.00 52.55 52.64 3grb s ASP 74 Cb -0.14 -2.51 0.31 0.00 -0.30 0.00 0.00 42.92 40.29 3grb s ASP 74 CO 0.03 -1.62 1.22 0.35 -0.17 0.00 0.00 175.17 174.98 3grb n THR 75 N 6.26 0.66 0.07 1.71 -2.24 -0.94 -4.59 114.28 115.21 3grb n THR 75 Ca 0.01 -0.83 -0.10 0.00 -2.27 0.00 0.00 64.05 60.86 3grb n THR 75 Cb 0.48 0.78 -0.06 0.00 -2.10 0.00 0.00 70.33 69.42 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 2.81 -0.45 -0.31 -0.78 3.64 -1.77 -3.14 116.57 116.58 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 0.75 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3grb h LYS 76 CO 0.00 -0.30 0.00 -1.13 -2.27 0.00 0.00 179.45 175.75 3grb n SER 77 N -4.33 3.06 -0.15 4.20 3.41 -1.26 -4.54 113.62 114.02 3grb n SER 77 Ca -0.05 -1.89 0.12 0.00 -0.26 0.00 0.00 58.87 56.79 3grb n SER 77 Cb 0.26 -0.20 0.46 0.00 -0.26 0.00 0.00 64.21 64.47 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 3.53 0.55 -0.31 7.33 3.20 -1.82 -2.35 116.97 127.10 3grb h TYR 78 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3grb h TYR 78 Cb 0.83 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3grb h TYR 78 CO 0.20 0.24 0.00 0.91 -1.64 0.00 0.00 178.16 177.87 3grb n TRP 79 N -4.48 0.75 -0.34 -3.82 8.01 -1.26 -4.65 117.44 111.65 3grb n TRP 79 Ca 0.12 -0.70 0.12 0.00 -1.31 0.00 0.00 57.50 55.73 3grb n TRP 79 Cb 0.41 -0.19 0.31 0.00 -2.01 0.00 0.00 31.31 29.84 3grb n TRP 79 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3grb h LYS 80 N 1.96 0.70 0.00 -0.99 3.64 -1.60 -0.41 116.57 119.87 3grb h LYS 80 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3grb h LYS 80 Cb 1.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3grb h LYS 80 CO 0.13 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.77 3grb h ALA 81 N 1.64 1.00 -0.00 5.00 0.00 -1.82 -0.19 119.26 124.89 3grb h ALA 81 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3grb h ALA 81 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3grb h ALA 81 CO -0.39 0.00 -0.26 1.28 0.00 0.00 0.00 179.25 179.88 3grb n LEU 82 N -3.03 0.37 -0.61 0.00 4.77 -0.18 -4.97 117.00 113.35 3grb n LEU 82 Ca 0.00 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3grb n LEU 82 Cb 0.27 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3grb n LEU 82 CO 0.26 0.08 -0.07 0.61 -1.33 0.00 0.00 177.39 176.94 3grb n GLY 83 N 1.45 0.38 3.15 -0.72 0.00 -0.08 -5.04 105.19 104.33 3grb n GLY 83 Ca 0.08 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.27 1.62 -0.06 -0.61 1.01 -1.23 -5.07 121.20 114.58 3grb s ILE 84 Ca 0.00 -0.80 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3grb s ILE 84 Cb 0.00 -1.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 3grb s ILE 84 CO 0.00 0.46 0.45 -0.94 0.00 0.00 0.00 174.94 174.91 3grb s SER 85 N 0.21 6.75 0.98 3.58 1.04 -1.26 -4.28 113.70 120.71 3grb s SER 85 Ca -0.10 0.89 -0.16 0.00 0.48 0.00 0.00 55.95 57.06 3grb s SER 85 Cb -0.14 -2.27 0.20 0.00 0.10 0.00 0.00 66.02 63.90 3grb s SER 85 CO 0.04 0.14 1.27 -2.16 0.98 0.00 0.00 173.24 173.52 3grb s PRO 86 N -0.12 0.53 0.62 4.02 0.04 -1.26 -4.92 135.00 133.90 3grb s PRO 86 Ca 0.25 -0.28 0.37 0.00 0.04 0.00 0.00 61.00 61.39 3grb s PRO 86 Cb -0.16 -1.82 2.06 0.00 0.04 0.00 0.00 34.50 34.62 3grb s PRO 86 CO 0.12 -2.51 2.27 0.00 0.04 0.00 0.00 177.00 176.92 3grb h MET 87 N -1.71 0.00 -1.61 4.56 -0.00 -1.12 -3.44 114.93 111.61 3grb h MET 87 Ca -0.45 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.33 3grb h MET 87 Cb 1.26 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 32.63 3grb h MET 87 CO 0.41 0.02 0.53 -1.58 -0.00 0.00 0.00 176.91 176.29 3grb s HIS 88 N -4.25 -0.38 -0.78 -0.10 5.65 -1.26 -5.05 115.29 109.12 3grb s HIS 88 Ca -0.04 0.63 0.13 0.00 0.25 0.00 0.00 55.06 56.03 3grb s HIS 88 Cb 0.13 0.45 0.59 0.00 -1.18 0.00 0.00 32.58 32.58 3grb s HIS 88 CO 0.48 -0.36 1.41 -0.85 -0.65 0.00 0.00 174.74 174.77 3grb n GLU 89 N 0.69 0.06 -4.23 2.88 0.00 -1.26 -4.65 120.64 114.14 3grb n GLU 89 Ca -0.10 0.41 -0.14 0.00 0.00 0.00 0.00 57.16 57.33 3grb n GLU 89 Cb 0.58 -1.64 -0.10 0.00 0.00 0.00 0.00 31.44 30.28 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 -3.14 1.20 -0.22 -1.84 3.76 -1.26 -2.21 115.29 111.57 3grb s HIS 90 Ca 0.03 -0.73 -0.05 0.00 -0.15 0.00 0.00 55.06 54.16 3grb s HIS 90 Cb 0.06 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 3grb s HIS 90 CO 0.20 0.05 0.00 0.00 -0.85 0.00 0.00 174.74 174.15 3grb s ALA 91 N -3.05 3.00 -0.06 -1.40 0.00 -0.08 -4.86 121.76 115.31 3grb s ALA 91 Ca 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.07 3grb s ALA 91 Cb 0.01 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3grb s ALA 91 CO 0.00 -0.30 -0.21 -1.21 0.00 0.00 0.00 175.76 174.05 3grb s GLU 92 N 1.26 2.55 -0.11 0.00 8.01 -1.26 -0.35 118.70 128.79 3grb s GLU 92 Ca 0.04 -0.82 0.02 0.00 0.01 0.00 0.00 54.97 54.21 3grb s GLU 92 Cb -0.15 -2.26 0.01 0.00 -4.31 0.00 0.00 34.13 27.43 3grb s GLU 92 CO 0.01 0.47 -0.17 0.08 0.01 0.00 0.00 175.26 175.66 3grb s VAL 93 N -0.36 1.59 -0.15 2.63 1.01 0.03 -4.98 120.40 120.18 3grb s VAL 93 Ca 0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3grb s VAL 93 Cb -0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3grb s VAL 93 CO 0.02 0.46 0.00 -0.69 0.00 0.00 0.00 175.10 174.89 3grb s VAL 94 N 0.91 4.28 0.06 2.92 1.01 -1.26 -0.31 120.40 128.02 3grb s VAL 94 Ca -0.08 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.71 3grb s VAL 94 Cb -0.15 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3grb s VAL 94 CO -0.01 0.51 -0.10 0.72 0.00 0.00 0.00 175.10 176.23 3grb s PHE 95 N 0.03 0.89 -0.24 5.22 -0.71 -0.23 -4.99 117.98 117.95 3grb s PHE 95 Ca 0.03 -0.56 -0.10 0.00 -1.04 0.00 0.00 56.93 55.26 3grb s PHE 95 Cb -0.13 -0.51 -0.05 0.00 -1.21 0.00 0.00 43.02 41.12 3grb s PHE 95 CO 0.02 -0.04 0.15 0.99 -1.34 0.00 0.00 175.22 175.00 3grb s THR 96 N -1.75 5.31 0.22 -4.49 2.01 -1.26 -0.76 115.64 114.93 3grb s THR 96 Ca -0.03 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.20 3grb s THR 96 Cb -0.07 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3grb s THR 96 CO 0.00 0.35 0.12 0.00 -0.69 0.00 0.00 174.62 174.41 3grb s ALA 97 N 1.06 3.46 -1.21 7.40 0.00 0.27 -4.89 121.76 127.86 3grb s ALA 97 Ca 0.07 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.62 3grb s ALA 97 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3grb s ALA 97 CO 0.04 0.34 0.06 0.09 0.00 0.00 0.00 175.76 176.30 3grb n ASN 98 N -0.81 -4.44 0.00 0.00 5.03 -1.26 -3.07 115.26 110.70 3grb n ASN 98 Ca -0.08 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.33 3grb n ASN 98 Cb 0.57 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.78 3grb n ASN 98 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3grb n ASP 99 N -0.81 0.00 0.00 6.41 8.00 -1.26 -3.74 116.55 125.14 3grb n ASP 99 Ca -0.16 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3grb n ASP 99 Cb 0.62 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3grb n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3grb n SER 100 N -1.05 0.00 -0.45 -2.24 7.64 -1.26 -5.15 113.62 111.11 3grb n SER 100 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3grb n SER 100 Cb 0.08 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 2.42 3.86 3.70 0.23 0.00 -1.25 -5.11 105.19 109.05 3grb n GLY 101 Ca 0.00 -1.28 -0.64 0.00 0.00 0.00 0.00 46.02 44.10 3grb n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3grb n PRO 102 N 0.00 0.22 -4.72 1.61 -0.04 -1.26 -4.80 135.00 126.00 3grb n PRO 102 Ca 0.00 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 3grb n PRO 102 Cb 0.00 -1.62 -0.14 0.00 -0.04 0.00 0.00 33.50 31.70 3grb n PRO 102 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3grb s ARG 103 N 2.52 1.66 -0.09 0.54 1.81 -1.26 -4.86 118.95 119.27 3grb s ARG 103 Ca 1.01 -1.19 -0.15 0.00 -1.72 0.00 0.00 55.73 53.68 3grb s ARG 103 Cb -1.38 -1.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.12 3grb s ARG 103 CO 0.74 0.49 0.37 1.03 -0.68 0.00 0.00 175.30 177.25 3grb s ARG 104 N -1.53 4.09 -0.08 3.54 0.52 -0.35 -4.88 118.95 120.26 3grb s ARG 104 Ca 0.13 0.28 0.01 0.00 -0.52 0.00 0.00 55.73 55.62 3grb s ARG 104 Cb -0.10 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3grb s ARG 104 CO 0.03 0.43 -0.09 0.71 0.02 0.00 0.00 175.30 176.40 3grb s TYR 105 N -0.18 2.87 -0.13 -0.53 1.51 0.39 -1.06 117.35 120.22 3grb s TYR 105 Ca 0.21 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.13 3grb s TYR 105 Cb -0.15 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.97 3grb s TYR 105 CO 0.09 0.16 -0.21 0.99 -1.11 0.00 0.00 175.55 175.47 3grb s THR 106 N -0.46 1.93 -0.32 -0.71 2.01 0.02 -0.83 115.64 117.28 3grb s THR 106 Ca 0.06 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 3grb s THR 106 Cb -0.12 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.68 3grb s THR 106 CO 0.02 0.53 0.15 -0.63 -0.69 0.00 0.00 174.62 173.99 3grb s ILE 107 N 0.81 4.46 -0.22 1.82 -1.09 0.31 -0.31 121.20 126.98 3grb s ILE 107 Ca -0.08 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.71 3grb s ILE 107 Cb -0.16 -3.33 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 3grb s ILE 107 CO -0.01 0.01 0.05 0.00 -1.23 0.00 0.00 174.94 173.76 3grb s ALA 108 N 1.58 3.16 -0.17 9.38 0.00 -0.22 -0.62 121.76 134.88 3grb s ALA 108 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3grb s ALA 108 Cb -0.18 -1.97 0.04 0.00 0.00 0.00 0.00 23.12 21.02 3grb s ALA 108 CO 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 175.76 175.45 3grb s ALA 109 N 1.23 1.71 -0.29 0.00 0.00 0.48 -0.74 121.76 124.15 3grb s ALA 109 Ca 0.04 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 3grb s ALA 109 Cb -0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 3grb s ALA 109 CO 0.03 -0.73 0.66 -1.64 0.00 0.00 0.00 175.76 174.08 3grb s MET 110 N 1.53 3.96 -0.07 0.00 -1.94 0.19 -0.66 119.30 122.31 3grb s MET 110 Ca 0.01 0.41 0.05 0.00 -1.71 0.00 0.00 55.69 54.44 3grb s MET 110 Cb -0.15 -3.71 -0.01 0.00 2.01 0.00 0.00 34.83 32.96 3grb s MET 110 CO -0.08 -0.56 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.65 3grb s LEU 111 N 2.65 2.28 0.16 -0.03 1.43 0.13 -1.52 118.68 123.77 3grb s LEU 111 Ca 0.27 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3grb s LEU 111 Cb -0.15 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3grb s LEU 111 CO 0.11 0.24 -0.10 -0.44 0.23 0.00 0.00 176.35 176.39 3grb s SER 112 N -0.14 1.87 0.42 2.29 0.01 -0.59 -0.69 113.70 116.87 3grb s SER 112 Ca -0.03 -1.02 0.13 0.00 1.31 0.00 0.00 55.95 56.34 3grb s SER 112 Cb -0.14 -0.02 0.99 0.00 0.21 0.00 0.00 66.02 67.06 3grb s SER 112 CO 0.04 -0.32 1.95 -0.65 0.41 0.00 0.00 173.24 174.66 3grb h PRO 113 N 2.75 0.45 0.00 12.44 0.11 -1.98 -3.10 132.00 142.67 3grb h PRO 113 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3grb h PRO 113 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3grb h PRO 113 CO 0.63 0.30 -0.00 0.66 -0.21 0.00 0.00 178.00 179.38 3grb n TYR 114 N -4.48 0.00 -4.05 0.65 4.02 -1.26 -0.44 117.16 111.61 3grb n TYR 114 Ca 0.12 -0.37 -0.08 0.00 -0.01 0.00 0.00 57.90 57.56 3grb n TYR 114 Cb 0.42 -0.04 -0.10 0.00 -0.02 0.00 0.00 39.34 39.60 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 -0.75 0.42 -0.06 7.72 0.15 -1.17 -4.99 113.70 115.02 3grb s SER 115 Ca 0.00 -0.78 -0.23 0.00 0.70 0.00 0.00 55.95 55.64 3grb s SER 115 Cb 0.00 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.51 3grb s SER 115 CO 0.00 -0.46 0.52 -0.72 1.20 0.00 0.00 173.24 173.78 3grb s TYR 116 N -2.82 -0.46 -0.16 3.44 1.13 -1.26 -1.54 117.35 115.68 3grb s TYR 116 Ca -0.03 0.83 0.01 0.00 -1.41 0.00 0.00 57.07 56.47 3grb s TYR 116 Cb -0.00 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 3grb s TYR 116 CO -0.06 -0.48 -0.18 -1.12 -2.51 0.00 0.00 175.55 171.21 3grb s SER 117 N -1.04 3.43 -0.06 -0.18 0.01 -0.58 -5.01 113.70 110.26 3grb s SER 117 Ca -0.11 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.65 3grb s SER 117 Cb -0.03 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.69 3grb s SER 117 CO 0.06 0.06 -0.17 0.42 0.41 0.00 0.00 173.24 174.03 3grb s THR 118 N 0.94 1.44 -0.03 1.44 -4.23 -1.26 -0.63 115.64 113.31 3grb s THR 118 Ca -0.03 -0.69 0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3grb s THR 118 Cb -0.15 -1.26 -0.01 0.00 1.34 0.00 0.00 72.50 72.42 3grb s THR 118 CO -0.03 0.42 -0.19 -0.89 -0.54 0.00 0.00 174.62 173.39 3grb s THR 119 N 0.28 1.54 -0.22 3.99 2.01 0.08 -4.99 115.64 118.32 3grb s THR 119 Ca -0.10 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 3grb s THR 119 Cb -0.14 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 3grb s THR 119 CO 0.04 0.44 0.06 0.00 -0.69 0.00 0.00 174.62 174.47 3grb s ALA 120 N -0.22 3.22 -0.24 7.40 0.00 -1.26 -1.05 121.76 129.61 3grb s ALA 120 Ca 0.02 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 3grb s ALA 120 Cb -0.10 -2.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3grb s ALA 120 CO 0.01 -0.26 0.08 0.08 0.00 0.00 0.00 175.76 175.67 3grb s VAL 121 N 1.19 4.45 -0.15 0.00 1.01 0.58 -4.96 120.40 122.53 3grb s VAL 121 Ca 0.04 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3grb s VAL 121 Cb -0.14 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3grb s VAL 121 CO 0.03 0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 3grb s VAL 122 N 1.40 1.94 0.05 2.92 1.01 -1.26 -0.80 120.40 125.66 3grb s VAL 122 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3grb s VAL 122 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3grb s VAL 122 CO 0.04 0.52 -0.17 0.42 0.00 0.00 0.00 175.10 175.92 3grb s THR 123 N 1.04 1.34 0.00 3.92 -4.23 -0.22 -4.96 115.64 112.52 3grb s THR 123 Ca -0.02 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3grb s THR 123 Cb -0.14 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3grb s THR 123 CO -0.06 0.02 0.48 -3.20 -0.54 0.00 0.00 174.62 171.32