#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 0.63 -3.58 0.00 0.11 -1.90 -3.41 132.00 123.84 3grb h PRO 11 Ca 0.00 -0.06 -0.36 0.00 0.11 0.00 0.00 66.00 65.69 3grb h PRO 11 Cb 0.00 -0.13 -0.36 0.00 0.11 0.00 0.00 31.00 30.62 3grb h PRO 11 CO 0.00 0.47 -0.75 -1.17 -0.21 0.00 0.00 178.00 176.35 3grb s LEU 12 N -9.45 0.81 0.01 2.35 0.20 -1.26 -0.38 118.68 110.96 3grb s LEU 12 Ca -0.09 0.00 0.04 0.00 0.69 0.00 0.00 54.13 54.77 3grb s LEU 12 Cb 0.17 -0.21 -0.01 0.00 -0.43 0.00 0.00 46.19 45.70 3grb s LEU 12 CO 0.75 -0.16 -0.11 -0.32 -0.29 0.00 0.00 176.35 176.22 3grb s MET 13 N 1.46 0.81 -0.10 1.98 1.75 -0.24 -4.38 119.30 120.59 3grb s MET 13 Ca -0.04 -0.53 0.04 0.00 -1.25 0.00 0.00 55.69 53.91 3grb s MET 13 Cb -0.13 -0.78 0.00 0.00 2.84 0.00 0.00 34.83 36.77 3grb s MET 13 CO -0.03 0.20 -0.22 0.08 -0.65 0.00 0.00 175.02 174.40 3grb s VAL 14 N -0.55 1.92 -0.08 10.11 1.01 -1.04 -0.66 120.40 131.11 3grb s VAL 14 Ca 0.02 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3grb s VAL 14 Cb -0.06 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3grb s VAL 14 CO 0.00 0.53 -0.17 -0.75 0.00 0.00 0.00 175.10 174.71 3grb s LYS 15 N 0.43 2.25 -0.13 2.72 2.20 0.25 -0.49 119.74 126.96 3grb s LYS 15 Ca -0.17 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 54.84 3grb s LYS 15 Cb -0.17 -1.77 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 3grb s LYS 15 CO 0.07 0.09 -0.13 0.08 -0.36 0.00 0.00 175.35 175.10 3grb s VAL 16 N 0.52 1.47 -0.01 4.02 1.01 0.12 -0.31 120.40 127.22 3grb s VAL 16 Ca -0.16 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3grb s VAL 16 Cb -0.17 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 3grb s VAL 16 CO 0.06 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.74 3grb s LEU 17 N 1.40 3.00 -0.52 3.92 1.43 -0.07 -1.09 118.68 126.75 3grb s LEU 17 Ca 0.02 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.74 3grb s LEU 17 Cb -0.13 -1.70 0.06 0.00 0.03 0.00 0.00 46.19 44.44 3grb s LEU 17 CO -0.08 0.30 0.69 -0.62 0.23 0.00 0.00 176.35 176.87 3grb s ASP 18 N -1.21 6.24 0.12 2.29 -1.08 0.60 -1.39 116.67 122.25 3grb s ASP 18 Ca 0.15 -0.82 0.23 0.00 -0.52 0.00 0.00 52.55 51.59 3grb s ASP 18 Cb -0.11 -2.32 0.90 0.00 -1.46 0.00 0.00 42.92 39.93 3grb s ASP 18 CO 0.05 -0.97 1.71 0.00 0.52 0.00 0.00 175.17 176.47 3grb n ALA 19 N 6.45 1.95 -0.03 3.66 0.00 -0.24 -1.21 120.51 131.08 3grb n ALA 19 Ca -0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 3grb n ALA 19 Cb 0.46 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 1.44 -0.00 0.00 2.07 -1.92 -3.39 116.25 114.45 3grb h VAL 20 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3grb h VAL 20 Cb 0.44 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3grb h VAL 20 CO 0.00 0.60 -0.84 0.54 0.02 0.00 0.00 177.57 177.89 3grb n ARG 21 N -4.34 0.18 -2.64 1.57 1.74 -1.22 -4.99 116.66 106.95 3grb n ARG 21 Ca -0.17 -0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 56.69 3grb n ARG 21 Cb 0.67 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.66 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 1.49 0.03 3.14 -0.13 0.00 -0.35 -5.06 105.19 104.32 3grb n GLY 22 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.59 0.34 0.59 1.61 0.01 -1.03 -5.01 113.70 106.61 3grb s SER 23 Ca 0.03 -1.16 -0.19 0.00 1.31 0.00 0.00 55.95 55.95 3grb s SER 23 Cb -0.00 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 3grb s SER 23 CO 0.35 -0.71 1.22 -2.16 0.41 0.00 0.00 173.24 172.35 3grb s PRO 24 N -4.02 3.01 -0.39 12.44 0.04 -1.26 -0.29 135.00 144.52 3grb s PRO 24 Ca 0.20 1.85 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 3grb s PRO 24 Cb 0.07 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.66 3grb s PRO 24 CO -0.01 -1.19 0.51 0.00 0.04 0.00 0.00 177.00 176.36 3grb s ALA 25 N -1.57 3.43 -0.02 8.56 0.00 -0.25 -4.56 121.76 127.35 3grb s ALA 25 Ca 0.77 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 51.50 3grb s ALA 25 Cb -0.31 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3grb s ALA 25 CO 0.34 -1.47 -0.02 0.42 0.00 0.00 0.00 175.76 175.03 3grb s ILE 26 N 2.38 4.03 -1.67 0.00 1.01 -1.26 -4.24 121.20 121.46 3grb s ILE 26 Ca 0.17 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 3grb s ILE 26 Cb -0.16 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3grb s ILE 26 CO 0.15 0.44 0.31 0.59 0.00 0.00 0.00 174.94 176.43 3grb n ASN 27 N 1.64 -6.03 -4.73 3.58 3.02 -0.25 -4.92 115.26 107.56 3grb n ASN 27 Ca -0.16 -0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 53.87 3grb n ASN 27 Cb 0.53 -4.94 -0.07 0.00 -0.61 0.00 0.00 39.78 34.69 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 -3.11 5.28 0.29 2.41 1.01 -1.26 -4.73 120.40 120.28 3grb s VAL 28 Ca 0.16 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 3grb s VAL 28 Cb -0.07 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 3grb s VAL 28 CO 0.19 0.39 1.20 0.00 0.00 0.00 0.00 175.10 176.88 3grb s ALA 29 N 0.40 3.45 -0.04 5.51 0.00 -1.26 -0.75 121.76 129.06 3grb s ALA 29 Ca 0.18 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.21 3grb s ALA 29 Cb -0.13 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3grb s ALA 29 CO 0.05 -0.38 -0.10 0.08 0.00 0.00 0.00 175.76 175.42 3grb s VAL 30 N -0.99 0.87 -0.08 0.00 1.01 -0.20 -0.98 120.40 120.03 3grb s VAL 30 Ca 0.47 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.13 3grb s VAL 30 Cb -0.35 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3grb s VAL 30 CO 0.45 0.28 -0.21 -1.00 0.00 0.00 0.00 175.10 174.62 3grb s HIS 31 N 0.45 2.58 -0.07 5.22 3.76 0.27 -1.86 115.29 125.64 3grb s HIS 31 Ca -0.08 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.14 3grb s HIS 31 Cb -0.12 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 3grb s HIS 31 CO 0.01 -0.21 -0.10 0.08 -0.85 0.00 0.00 174.74 173.68 3grb s VAL 32 N -0.02 3.44 0.14 -0.90 1.01 0.88 -0.63 120.40 124.32 3grb s VAL 32 Ca -0.07 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.40 3grb s VAL 32 Cb -0.15 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 3grb s VAL 32 CO 0.05 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.23 3grb s PHE 33 N -0.69 1.49 -0.04 5.22 0.40 0.23 -0.95 117.98 123.64 3grb s PHE 33 Ca 0.10 -0.55 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 3grb s PHE 33 Cb -0.11 -0.76 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 3grb s PHE 33 CO 0.01 0.19 -0.22 0.50 0.70 0.00 0.00 175.22 176.40 3grb s ARG 34 N -2.80 2.01 -0.00 0.44 3.52 0.19 -0.82 118.95 121.49 3grb s ARG 34 Ca 0.11 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.63 3grb s ARG 34 Cb -0.04 -1.81 -0.06 0.00 -1.56 0.00 0.00 34.95 31.47 3grb s ARG 34 CO 0.04 0.39 1.51 0.15 -0.81 0.00 0.00 175.30 176.58 3grb s LYS 35 N -0.27 4.24 0.55 5.12 -0.14 0.15 -0.99 119.74 128.40 3grb s LYS 35 Ca 0.02 2.09 0.02 0.00 -1.36 0.00 0.00 55.97 56.74 3grb s LYS 35 Cb -0.11 -3.68 0.04 0.00 -1.68 0.00 0.00 37.83 32.40 3grb s LYS 35 CO 0.01 -0.68 0.78 0.00 -0.76 0.00 0.00 175.35 174.70 3grb s ALA 36 N 2.87 3.94 0.55 5.17 0.00 -0.14 -4.71 121.76 129.44 3grb s ALA 36 Ca 0.68 -1.39 0.26 0.00 0.00 0.00 0.00 51.96 51.51 3grb s ALA 36 Cb -0.33 -2.03 1.45 0.00 0.00 0.00 0.00 23.12 22.20 3grb s ALA 36 CO 0.28 -0.77 2.00 0.00 0.00 0.00 0.00 175.76 177.27 3grb h ALA 37 N 0.07 2.35 -0.62 0.00 0.00 -1.95 -0.65 119.26 118.45 3grb h ALA 37 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3grb h ALA 37 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3grb h ALA 37 CO 0.51 -0.61 0.00 -0.40 0.00 0.00 0.00 179.25 178.75 3grb n ASP 38 N -4.20 4.00 -1.14 0.00 5.68 -1.26 -4.93 116.55 114.71 3grb n ASP 38 Ca 0.08 -2.23 -0.12 0.00 -0.50 0.00 0.00 54.79 52.02 3grb n ASP 38 Cb 0.57 -0.50 -0.03 0.00 -1.14 0.00 0.00 41.12 40.01 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 1.20 -4.27 -4.94 -1.12 8.00 -0.25 -5.03 116.55 110.13 3grb n ASP 39 Ca 0.23 0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.66 3grb n ASP 39 Cb 0.71 -3.11 -0.02 0.00 -0.02 0.00 0.00 41.12 38.67 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 -2.52 5.21 -0.23 -3.53 -4.23 -1.26 -4.90 115.64 104.17 3grb s THR 40 Ca 0.00 -0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 59.72 3grb s THR 40 Cb 0.00 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 3grb s THR 40 CO 0.00 -0.27 0.70 0.26 -0.54 0.00 0.00 174.62 174.77 3grb s TRP 41 N -1.97 3.32 -0.18 3.99 0.52 -1.26 -0.97 118.94 122.39 3grb s TRP 41 Ca 0.37 0.96 -0.15 0.00 0.02 0.00 0.00 56.10 57.31 3grb s TRP 41 Cb -0.10 -2.91 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 3grb s TRP 41 CO 0.30 -0.32 0.35 -2.00 0.02 0.00 0.00 176.95 175.31 3grb s GLU 42 N 2.47 4.21 0.20 4.98 2.12 -0.16 -4.88 118.70 127.65 3grb s GLU 42 Ca 0.30 0.15 -0.32 0.00 0.36 0.00 0.00 54.97 55.46 3grb s GLU 42 Cb -0.16 -3.49 -0.15 0.00 0.26 0.00 0.00 34.13 30.60 3grb s GLU 42 CO 0.09 0.08 1.27 -2.30 -0.54 0.00 0.00 175.26 173.86 3grb n PRO 43 N 4.07 1.56 0.00 4.30 -0.02 -1.26 -0.63 135.00 143.01 3grb n PRO 43 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3grb n PRO 43 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.68 0.00 -3.60 6.00 7.35 -0.12 -4.79 117.46 123.97 3grb n PHE 44 Ca 0.13 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.78 3grb n PHE 44 Cb 0.28 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.09 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 -1.76 -2.08 0.34 3.13 0.00 -1.11 -4.98 121.76 115.30 3grb s ALA 45 Ca 0.00 1.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.45 3grb s ALA 45 Cb 0.00 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.96 3grb s ALA 45 CO 0.00 -0.57 0.68 -1.54 0.00 0.00 0.00 175.76 174.32 3grb s SER 46 N -2.11 0.12 0.00 0.00 1.04 -1.26 -0.08 113.70 111.41 3grb s SER 46 Ca 0.09 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.44 3grb s SER 46 Cb -0.01 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3grb s SER 46 CO -0.04 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.30 3grb n GLY 47 N -0.51 -1.47 3.20 7.32 0.00 -0.78 -4.98 105.19 107.97 3grb n GLY 47 Ca -0.05 -1.14 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.56 1.04 0.62 1.61 1.02 -1.26 -1.03 119.74 120.18 3grb s LYS 48 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 55.97 54.89 3grb s LYS 48 Cb 0.00 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.17 3grb s LYS 48 CO 0.00 0.27 1.19 0.95 -0.92 0.00 0.00 175.35 176.84 3grb s THR 49 N -0.99 2.72 0.64 2.17 -4.23 0.07 -4.79 115.64 111.22 3grb s THR 49 Ca 0.03 0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.86 3grb s THR 49 Cb -0.09 -3.09 0.14 0.00 1.34 0.00 0.00 72.50 70.80 3grb s THR 49 CO 0.02 -0.13 0.87 -1.54 -0.54 0.00 0.00 174.62 173.30 3grb n SER 50 N -1.85 0.16 0.32 3.99 3.41 0.48 -1.09 113.62 119.04 3grb n SER 50 Ca 0.13 -1.37 0.21 0.00 -0.26 0.00 0.00 58.87 57.58 3grb n SER 50 Cb 0.50 -0.65 1.10 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.37 4.33 5.08 -1.93 -1.08 114.58 120.61 3grb h GLU 51 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3grb h GLU 51 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3grb h GLU 51 CO 0.21 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.09 3grb n SER 52 N -3.01 3.16 -0.01 1.42 3.41 -1.26 -4.79 113.62 112.53 3grb n SER 52 Ca -0.02 -1.95 -0.00 0.00 -0.26 0.00 0.00 58.87 56.63 3grb n SER 52 Cb 0.10 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.45 0.47 3.75 5.00 0.00 -0.41 -4.80 105.19 110.65 3grb n GLY 53 Ca 0.19 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.62 2.83 -0.24 1.61 2.02 -1.26 -0.70 118.70 122.34 3grb s GLU 54 Ca 0.00 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3grb s GLU 54 Cb 0.00 -2.70 0.06 0.00 0.10 0.00 0.00 34.13 31.59 3grb s GLU 54 CO 0.00 0.58 -0.03 -1.17 0.02 0.00 0.00 175.26 174.65 3grb s LEU 55 N -2.22 2.49 0.25 1.80 0.20 0.35 -0.39 118.68 121.17 3grb s LEU 55 Ca 0.27 -1.20 0.07 0.00 0.69 0.00 0.00 54.13 53.96 3grb s LEU 55 Cb -0.12 -1.12 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 3grb s LEU 55 CO 0.19 -0.26 0.18 -1.00 -0.29 0.00 0.00 176.35 175.17 3grb s HIS 56 N 1.43 3.08 -0.21 5.38 3.76 -1.26 -2.50 115.29 124.97 3grb s HIS 56 Ca -0.04 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3grb s HIS 56 Cb -0.19 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.11 3grb s HIS 56 CO -0.07 0.53 0.00 0.41 -0.85 0.00 0.00 174.74 174.76 3grb n GLY 57 N -1.10 0.47 0.29 -2.22 0.00 -1.26 -4.94 105.19 96.42 3grb n GLY 57 Ca -0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 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 0.83 -8.28 0.99 3.38 -1.85 -3.47 115.31 106.91 3grb h LEU 58 Ca -0.05 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3grb h LEU 58 Cb 0.41 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3grb h LEU 58 CO 0.06 0.90 -0.01 0.28 0.09 0.00 0.00 178.44 179.76 3grb s THR 59 N -4.98 0.00 0.20 0.22 -1.32 -1.26 -4.79 115.64 103.70 3grb s THR 59 Ca -0.10 -1.34 0.09 0.00 -1.21 0.00 0.00 61.69 59.13 3grb s THR 59 Cb 0.14 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.49 3grb s THR 59 CO 0.82 0.00 -0.11 0.42 -2.21 0.00 0.00 174.62 173.55 3grb s THR 60 N -3.04 3.09 0.22 5.08 -4.23 -1.26 -4.62 115.64 110.88 3grb s THR 60 Ca 0.23 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 3grb s THR 60 Cb -0.02 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.52 3grb s THR 60 CO 0.15 -0.16 1.63 -0.08 -0.54 0.00 0.00 174.62 175.62 3grb h GLU 61 N 2.78 0.02 -0.22 3.99 4.81 -1.99 0.11 114.58 124.09 3grb h GLU 61 Ca -0.46 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 3grb h GLU 61 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3grb h GLU 61 CO 0.55 0.02 -0.30 1.05 -0.73 0.00 0.00 179.01 179.60 3grb h GLU 62 N 0.02 0.45 0.00 1.92 9.09 -2.03 -2.88 114.58 121.15 3grb h GLU 62 Ca 0.33 -0.18 -0.06 0.00 0.05 0.00 0.00 59.36 59.50 3grb h GLU 62 Cb 0.52 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.59 3grb h GLU 62 CO -0.66 0.70 -0.29 0.93 0.05 0.00 0.00 179.01 179.74 3grb h GLU 63 N 0.39 0.00 -3.46 1.06 5.08 -1.53 -3.36 114.58 112.77 3grb h GLU 63 Ca 0.05 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.70 3grb h GLU 63 Cb 0.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3grb h GLU 63 CO 0.06 0.29 3.01 0.34 -1.00 0.00 0.00 179.01 181.71 3grb n PHE 64 N -3.40 2.99 -1.30 4.33 7.35 0.24 -4.92 117.46 122.75 3grb n PHE 64 Ca 0.00 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.46 3grb n PHE 64 Cb 0.49 -2.32 0.16 0.00 0.35 0.00 0.00 39.48 38.16 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 1.78 2.03 0.37 -2.13 -7.23 -1.26 -4.98 120.40 108.98 3grb s VAL 65 Ca 0.52 0.01 -0.27 0.00 -1.81 0.00 0.00 61.98 60.43 3grb s VAL 65 Cb 0.15 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.40 3grb s VAL 65 CO -0.06 -0.01 1.24 -1.61 -0.31 0.00 0.00 175.10 174.35 3grb s GLU 66 N -5.08 4.17 0.00 4.82 2.02 -1.26 -4.90 118.70 118.47 3grb s GLU 66 Ca 0.65 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.67 3grb s GLU 66 Cb -0.17 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3grb s GLU 66 CO 0.56 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3grb n GLY 67 N 0.75 -1.84 3.58 -1.39 0.00 -1.26 -5.04 105.19 99.98 3grb n GLY 67 Ca 0.02 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.57 4.53 -0.01 -0.61 -1.09 -1.26 -1.11 121.20 119.09 3grb s ILE 68 Ca 0.00 -0.12 0.07 0.00 -2.23 0.00 0.00 60.65 58.37 3grb s ILE 68 Cb 0.00 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3grb s ILE 68 CO 0.00 0.45 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.63 3grb s TYR 69 N 0.52 2.44 -0.10 3.97 1.51 -0.07 0.33 117.35 125.93 3grb s TYR 69 Ca 0.02 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 3grb s TYR 69 Cb -0.13 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3grb s TYR 69 CO 0.01 0.08 -0.16 0.21 -1.11 0.00 0.00 175.55 174.58 3grb s LYS 70 N -0.87 3.10 -0.21 -0.62 2.20 -0.00 -1.31 119.74 122.03 3grb s LYS 70 Ca 0.11 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.94 3grb s LYS 70 Cb -0.10 -2.50 -0.02 0.00 -1.51 0.00 0.00 37.83 33.70 3grb s LYS 70 CO 0.01 0.30 -0.00 0.08 -0.36 0.00 0.00 175.35 175.38 3grb s VAL 71 N 0.10 3.86 -0.15 4.02 1.01 0.13 -0.60 120.40 128.77 3grb s VAL 71 Ca -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 3grb s VAL 71 Cb -0.15 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3grb s VAL 71 CO 0.05 0.42 -0.11 -1.61 0.00 0.00 0.00 175.10 173.85 3grb s GLU 72 N 1.15 3.36 -0.20 2.72 2.02 0.20 -0.67 118.70 127.28 3grb s GLU 72 Ca 0.03 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.30 3grb s GLU 72 Cb -0.14 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.34 3grb s GLU 72 CO 0.01 0.09 -0.02 0.42 0.02 0.00 0.00 175.26 175.78 3grb s ILE 73 N 0.68 3.76 -0.57 -1.63 1.01 0.98 -0.56 121.20 124.86 3grb s ILE 73 Ca -0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 3grb s ILE 73 Cb -0.15 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.66 3grb s ILE 73 CO 0.02 0.44 1.11 -0.62 0.00 0.00 0.00 174.94 175.89 3grb s ASP 74 N 1.04 6.40 0.00 3.58 3.68 -0.16 -0.38 116.67 130.84 3grb s ASP 74 Ca 0.01 -0.07 0.14 0.00 2.13 0.00 0.00 52.55 54.77 3grb s ASP 74 Cb -0.14 -2.51 -0.07 0.00 -1.45 0.00 0.00 42.92 38.74 3grb s ASP 74 CO 0.01 -1.40 0.70 0.35 0.13 0.00 0.00 175.17 174.95 3grb n THR 75 N 6.50 0.00 -0.18 1.71 -2.24 -0.52 -4.56 114.28 115.00 3grb n THR 75 Ca 0.06 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3grb n THR 75 Cb 0.48 1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.84 -0.30 -0.28 -0.78 3.64 -1.74 -2.43 116.57 115.52 3grb h LYS 76 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3grb h LYS 76 Cb 0.41 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3grb h LYS 76 CO 0.00 -0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 175.85 3grb n SER 77 N -5.38 2.78 0.26 4.20 3.41 -1.26 -4.49 113.62 113.14 3grb n SER 77 Ca -0.01 -1.85 0.11 0.00 -0.26 0.00 0.00 58.87 56.86 3grb n SER 77 Cb 0.34 -0.18 0.73 0.00 -0.26 0.00 0.00 64.21 64.84 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 2.55 0.00 -0.31 7.33 3.20 -1.72 -2.13 116.97 125.89 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 0.71 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3grb h TYR 78 CO 0.18 0.00 0.00 0.91 -1.64 0.00 0.00 178.16 177.61 3grb n TRP 79 N -4.30 0.39 -0.18 -3.82 5.03 -1.26 -4.60 117.44 108.70 3grb n TRP 79 Ca -0.03 -0.25 -0.07 0.00 3.03 0.00 0.00 57.50 60.18 3grb n TRP 79 Cb 0.10 -0.01 0.07 0.00 -1.03 0.00 0.00 31.31 30.45 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 3.55 0.99 0.00 -0.99 1.63 -1.56 -0.91 116.57 119.28 3grb h LYS 80 Ca 0.00 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3grb h LYS 80 Cb 0.84 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 3grb h LYS 80 CO 0.00 0.97 0.00 0.00 -3.45 0.00 0.00 179.45 176.97 3grb h ALA 81 N 1.09 1.00 -0.01 5.00 0.00 -1.81 -0.69 119.26 123.84 3grb h ALA 81 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3grb h ALA 81 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3grb h ALA 81 CO 0.03 0.00 -0.16 1.28 0.00 0.00 0.00 179.25 180.40 3grb n LEU 82 N -3.07 0.85 -0.36 0.00 4.77 -0.35 -4.93 117.00 113.91 3grb n LEU 82 Ca -0.01 -0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.74 3grb n LEU 82 Cb 0.18 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3grb n LEU 82 CO 0.23 0.15 -0.04 0.61 -1.33 0.00 0.00 177.39 177.01 3grb n GLY 83 N 1.28 0.59 3.20 -0.72 0.00 -0.26 -5.03 105.19 104.24 3grb n GLY 83 Ca 0.14 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 1.89 -0.11 -0.61 1.01 -1.18 -5.06 121.20 114.97 3grb s ILE 84 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 3grb s ILE 84 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 3grb s ILE 84 CO 0.00 0.52 0.63 -0.55 0.00 0.00 0.00 174.94 175.54 3grb s SER 85 N 0.25 6.84 0.95 3.58 0.15 -1.26 -4.28 113.70 119.93 3grb s SER 85 Ca -0.14 1.01 -0.15 0.00 0.70 0.00 0.00 55.95 57.37 3grb s SER 85 Cb -0.16 -2.37 0.17 0.00 -1.71 0.00 0.00 66.02 61.95 3grb s SER 85 CO 0.07 -0.13 1.21 -2.16 1.20 0.00 0.00 173.24 173.43 3grb s PRO 86 N 1.05 0.82 0.55 5.44 0.04 -1.26 -4.95 135.00 136.69 3grb s PRO 86 Ca 0.32 -0.05 0.29 0.00 0.04 0.00 0.00 61.00 61.60 3grb s PRO 86 Cb -0.17 -1.83 1.59 0.00 0.04 0.00 0.00 34.50 34.13 3grb s PRO 86 CO 0.14 -2.35 2.13 0.00 0.04 0.00 0.00 177.00 176.96 3grb h MET 87 N -1.60 0.00 -2.24 4.56 -0.00 -1.29 -3.45 114.93 110.91 3grb h MET 87 Ca -0.46 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.25 3grb h MET 87 Cb 1.29 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 32.72 3grb h MET 87 CO 0.50 0.08 0.34 -1.58 -0.00 0.00 0.00 176.91 176.25 3grb s HIS 88 N -4.29 -0.50 -0.79 -0.10 5.65 -1.26 -5.05 115.29 108.95 3grb s HIS 88 Ca -0.03 0.61 0.17 0.00 0.25 0.00 0.00 55.06 56.06 3grb s HIS 88 Cb 0.13 0.49 0.74 0.00 -1.18 0.00 0.00 32.58 32.76 3grb s HIS 88 CO 0.57 -0.60 1.54 -0.85 -0.65 0.00 0.00 174.74 174.74 3grb n GLU 89 N 0.27 0.07 -4.18 2.88 0.00 -1.26 -4.58 120.64 113.84 3grb n GLU 89 Ca -0.14 0.33 -0.15 0.00 0.00 0.00 0.00 57.16 57.20 3grb n GLU 89 Cb 0.60 -1.65 -0.11 0.00 0.00 0.00 0.00 31.44 30.29 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 -3.13 1.11 -0.18 -1.84 3.76 -1.26 -1.43 115.29 112.32 3grb s HIS 90 Ca 0.06 -0.64 -0.08 0.00 -0.15 0.00 0.00 55.06 54.25 3grb s HIS 90 Cb 0.09 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 3grb s HIS 90 CO 0.30 0.02 0.10 0.00 -0.85 0.00 0.00 174.74 174.31 3grb s ALA 91 N -2.38 3.57 0.02 -1.40 0.00 0.49 -4.85 121.76 117.21 3grb s ALA 91 Ca 0.06 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3grb s ALA 91 Cb -0.03 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3grb s ALA 91 CO 0.00 0.23 -0.19 -1.21 0.00 0.00 0.00 175.76 174.59 3grb s GLU 92 N 0.19 1.38 -0.05 0.00 8.01 -1.26 -0.02 118.70 126.95 3grb s GLU 92 Ca 0.07 -0.82 0.01 0.00 0.01 0.00 0.00 54.97 54.24 3grb s GLU 92 Cb -0.12 -1.42 0.02 0.00 -4.31 0.00 0.00 34.13 28.30 3grb s GLU 92 CO -0.00 0.37 -0.05 0.08 0.01 0.00 0.00 175.26 175.67 3grb s VAL 93 N -0.67 0.62 -0.12 2.63 1.01 0.15 -4.98 120.40 119.04 3grb s VAL 93 Ca 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 3grb s VAL 93 Cb -0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 3grb s VAL 93 CO 0.01 0.25 -0.10 -0.69 0.00 0.00 0.00 175.10 174.56 3grb s VAL 94 N 1.00 3.31 0.06 2.92 1.01 -1.26 0.20 120.40 127.64 3grb s VAL 94 Ca -0.10 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3grb s VAL 94 Cb -0.14 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3grb s VAL 94 CO -0.00 0.53 -0.10 0.72 0.00 0.00 0.00 175.10 176.24 3grb s PHE 95 N 0.14 0.95 -0.24 5.22 -0.71 -0.43 -5.00 117.98 117.90 3grb s PHE 95 Ca -0.05 -0.53 -0.10 0.00 -1.04 0.00 0.00 56.93 55.22 3grb s PHE 95 Cb -0.15 -0.54 -0.05 0.00 -1.21 0.00 0.00 43.02 41.08 3grb s PHE 95 CO 0.04 -0.02 0.14 0.99 -1.34 0.00 0.00 175.22 175.04 3grb s THR 96 N -1.60 5.14 0.25 -4.49 2.01 -1.26 -0.90 115.64 114.80 3grb s THR 96 Ca -0.04 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.09 3grb s THR 96 Cb -0.08 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3grb s THR 96 CO 0.01 0.34 0.42 0.00 -0.69 0.00 0.00 174.62 174.69 3grb s ALA 97 N 1.21 3.83 0.00 7.40 0.00 -0.27 -4.97 121.76 128.97 3grb s ALA 97 Ca 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3grb s ALA 97 Cb -0.14 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3grb s ALA 97 CO 0.05 0.26 0.00 0.09 0.00 0.00 0.00 175.76 176.16 3grb n ASN 98 N -1.19 0.00 0.00 0.00 5.03 -1.26 -4.27 115.26 113.57 3grb n ASN 98 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 3grb n ASN 98 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 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 5.42 0.00 -0.89 6.41 10.43 -1.26 -4.89 116.55 131.78 3grb n ASP 99 Ca 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.35 3grb n ASP 99 Cb 0.00 0.00 -0.02 0.00 1.84 0.00 0.00 41.12 42.94 3grb n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3grb n SER 100 N 0.00 -0.10 0.00 -2.24 7.64 -1.26 -5.14 113.62 112.52 3grb n SER 100 Ca 0.00 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.15 3grb n SER 100 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.11 -3.45 3.77 0.23 0.00 -1.26 -5.02 105.19 99.58 3grb n GLY 101 Ca -0.08 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.96 4.55 0.06 1.61 0.04 -1.26 -4.84 135.00 134.20 3grb s PRO 102 Ca 0.00 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.54 3grb s PRO 102 Cb 0.00 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 3grb s PRO 102 CO 0.00 0.22 -0.09 1.03 0.04 0.00 0.00 177.00 178.20 3grb s ARG 103 N -1.91 0.63 -0.10 4.56 0.52 -1.26 -4.80 118.95 116.59 3grb s ARG 103 Ca 0.49 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 3grb s ARG 103 Cb -0.23 -0.36 -0.04 0.00 0.52 0.00 0.00 34.95 34.84 3grb s ARG 103 CO 0.29 0.06 0.11 1.03 0.02 0.00 0.00 175.30 176.80 3grb s ARG 104 N -1.97 3.31 -0.08 3.54 0.52 -0.64 -4.89 118.95 118.74 3grb s ARG 104 Ca -0.05 -0.23 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 3grb s ARG 104 Cb -0.08 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3grb s ARG 104 CO -0.00 0.75 -0.21 0.71 0.02 0.00 0.00 175.30 176.57 3grb s TYR 105 N -1.03 2.21 -0.18 -0.53 1.51 0.49 -1.23 117.35 118.60 3grb s TYR 105 Ca 0.16 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3grb s TYR 105 Cb -0.12 -1.49 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 3grb s TYR 105 CO 0.05 -0.32 -0.12 0.99 -1.11 0.00 0.00 175.55 175.03 3grb s THR 106 N 0.28 2.79 -0.32 -0.71 2.01 -0.23 -1.08 115.64 118.39 3grb s THR 106 Ca -0.14 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 3grb s THR 106 Cb -0.16 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3grb s THR 106 CO 0.06 0.49 0.20 -0.63 -0.69 0.00 0.00 174.62 174.05 3grb s ILE 107 N 1.16 5.08 -0.17 1.82 -1.09 0.17 -0.81 121.20 127.36 3grb s ILE 107 Ca 0.01 -0.18 -0.02 0.00 -2.23 0.00 0.00 60.65 58.23 3grb s ILE 107 Cb -0.14 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 3grb s ILE 107 CO -0.04 0.08 -0.07 0.00 -1.23 0.00 0.00 174.94 173.67 3grb s ALA 108 N 1.70 2.78 -0.11 9.38 0.00 -0.29 -0.58 121.76 134.64 3grb s ALA 108 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3grb s ALA 108 Cb -0.17 -1.50 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3grb s ALA 108 CO 0.09 -0.05 -0.13 0.00 0.00 0.00 0.00 175.76 175.67 3grb s ALA 109 N 0.84 1.61 -0.30 0.00 0.00 0.57 -1.08 121.76 123.40 3grb s ALA 109 Ca -0.02 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 3grb s ALA 109 Cb -0.15 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3grb s ALA 109 CO 0.01 -0.17 0.09 -1.64 0.00 0.00 0.00 175.76 174.05 3grb s MET 110 N 1.16 3.00 -0.12 0.00 -1.94 0.67 -0.89 119.30 121.19 3grb s MET 110 Ca -0.03 -0.92 -0.02 0.00 -1.71 0.00 0.00 55.69 53.01 3grb s MET 110 Cb -0.14 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 3grb s MET 110 CO -0.04 -0.49 -0.04 -0.51 -0.01 0.00 0.00 175.02 173.94 3grb s LEU 111 N 1.48 3.27 0.24 -0.03 1.43 -0.49 -1.32 118.68 123.26 3grb s LEU 111 Ca 0.02 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3grb s LEU 111 Cb -0.18 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3grb s LEU 111 CO 0.03 0.26 -0.04 -0.44 0.23 0.00 0.00 176.35 176.38 3grb s SER 112 N -0.20 2.21 0.32 2.29 0.01 -0.11 -1.08 113.70 117.14 3grb s SER 112 Ca 0.04 -1.17 0.09 0.00 1.31 0.00 0.00 55.95 56.21 3grb s SER 112 Cb -0.13 -0.07 0.84 0.00 0.21 0.00 0.00 66.02 66.88 3grb s SER 112 CO 0.02 -0.41 1.76 -0.65 0.41 0.00 0.00 173.24 174.37 3grb h PRO 113 N 2.44 0.63 0.00 12.44 0.11 -1.98 -3.03 132.00 142.62 3grb h PRO 113 Ca -0.39 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3grb h PRO 113 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3grb h PRO 113 CO 0.65 0.42 -0.12 0.66 -0.21 0.00 0.00 178.00 179.39 3grb n TYR 114 N -4.79 0.00 -3.57 0.65 4.02 -1.26 -0.75 117.16 111.46 3grb n TYR 114 Ca 0.25 -1.09 -0.16 0.00 -0.01 0.00 0.00 57.90 56.89 3grb n TYR 114 Cb 0.67 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.76 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 -2.93 -0.68 0.05 7.72 0.15 -1.14 -5.01 113.70 111.86 3grb s SER 115 Ca 0.33 1.00 -0.13 0.00 0.70 0.00 0.00 55.95 57.85 3grb s SER 115 Cb 0.30 0.90 0.02 0.00 -1.71 0.00 0.00 66.02 65.53 3grb s SER 115 CO 0.01 -0.45 0.29 -0.72 1.20 0.00 0.00 173.24 173.57 3grb s TYR 116 N -0.53 -0.08 -0.13 3.44 1.13 -1.26 -0.93 117.35 118.99 3grb s TYR 116 Ca -0.06 -0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.54 3grb s TYR 116 Cb -0.02 0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 3grb s TYR 116 CO 0.06 -0.51 -0.22 -1.12 -2.51 0.00 0.00 175.55 171.25 3grb s SER 117 N -2.14 3.17 0.05 -0.18 0.01 -0.44 -4.99 113.70 109.18 3grb s SER 117 Ca -0.04 -0.57 0.07 0.00 1.31 0.00 0.00 55.95 56.72 3grb s SER 117 Cb -0.00 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 3grb s SER 117 CO -0.04 0.11 -0.21 0.42 0.41 0.00 0.00 173.24 173.93 3grb s THR 118 N 0.63 1.70 -0.02 1.44 -4.23 -1.26 -0.23 115.64 113.67 3grb s THR 118 Ca -0.11 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3grb s THR 118 Cb -0.16 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.21 3grb s THR 118 CO 0.02 0.18 0.03 -0.89 -0.54 0.00 0.00 174.62 173.43 3grb s THR 119 N -0.84 -0.02 -0.34 3.99 2.01 -0.24 -5.00 115.64 115.20 3grb s THR 119 Ca 0.08 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.03 3grb s THR 119 Cb -0.09 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.35 3grb s THR 119 CO 0.02 0.03 0.21 0.00 -0.69 0.00 0.00 174.62 174.19 3grb s ALA 120 N 0.40 3.41 -0.30 7.40 0.00 -1.26 -1.14 121.76 130.26 3grb s ALA 120 Ca -0.03 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 3grb s ALA 120 Cb -0.05 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3grb s ALA 120 CO -0.01 -1.00 0.32 0.08 0.00 0.00 0.00 175.76 175.14 3grb s VAL 121 N 1.67 5.21 -0.21 0.00 1.01 0.01 -4.97 120.40 123.13 3grb s VAL 121 Ca 0.05 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3grb s VAL 121 Cb -0.17 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3grb s VAL 121 CO 0.09 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.42 3grb s VAL 122 N 1.95 2.18 0.26 2.92 1.01 -1.26 -1.06 120.40 126.40 3grb s VAL 122 Ca 0.11 -1.19 0.12 0.00 0.00 0.00 0.00 61.98 61.02 3grb s VAL 122 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3grb s VAL 122 CO 0.11 0.31 -0.20 0.42 0.00 0.00 0.00 175.10 175.74 3grb s THR 123 N 1.23 2.50 0.00 3.92 -4.23 -0.36 -4.96 115.64 113.73 3grb s THR 123 Ca -0.00 -2.29 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 3grb s THR 123 Cb -0.16 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3grb s THR 123 CO -0.09 -0.32 0.00 -0.46 -0.54 0.00 0.00 174.62 173.20