#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ggm s ASN 1 N 0.00 6.90 -0.16 6.12 3.84 -1.26 -5.06 114.94 125.33 3ggm s ASN 1 Ca 0.00 1.08 0.01 0.00 0.21 0.00 0.00 52.86 54.16 3ggm s ASN 1 Cb 0.00 -2.35 0.01 0.00 -0.55 0.00 0.00 41.25 38.36 3ggm s ASN 1 CO 0.00 0.07 -0.19 -0.69 -2.79 0.00 0.00 177.10 173.50 3ggm s VAL 2 N 0.02 2.23 0.59 -5.21 1.01 -1.26 -4.99 120.40 112.79 3ggm s VAL 2 Ca 0.30 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 3ggm s VAL 2 Cb -0.17 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3ggm s VAL 2 CO 0.16 0.53 1.10 -2.16 0.00 0.00 0.00 175.10 174.73 3ggm s PRO 3 N 0.98 3.19 0.15 2.72 0.04 -1.26 -4.93 135.00 135.89 3ggm s PRO 3 Ca -0.03 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.43 3ggm s PRO 3 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3ggm s PRO 3 CO -0.05 -0.95 1.35 -0.44 0.04 0.00 0.00 177.00 176.95 3ggm h ASP 4 N 0.63 0.32 -4.62 6.66 3.32 -1.42 -3.40 116.42 117.92 3ggm h ASP 4 Ca -0.48 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.16 3ggm h ASP 4 Cb 1.24 -0.10 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 3ggm h ASP 4 CO 0.56 1.08 -0.39 -0.32 -1.72 0.00 0.00 179.24 178.44 3ggm s MET 5 N -3.19 0.49 -0.08 3.56 1.75 -0.72 -0.89 119.30 120.22 3ggm s MET 5 Ca -0.04 -0.09 -0.01 0.00 -1.25 0.00 0.00 55.69 54.31 3ggm s MET 5 Cb 0.10 0.22 0.03 0.00 2.84 0.00 0.00 34.83 38.01 3ggm s MET 5 CO 0.84 -0.11 -0.03 0.42 -0.65 0.00 0.00 175.02 175.49 3ggm s ILE 6 N -0.89 0.60 -0.25 10.11 1.01 0.27 0.17 121.20 132.23 3ggm s ILE 6 Ca -0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3ggm s ILE 6 Cb -0.05 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3ggm s ILE 6 CO 0.02 0.29 0.13 -0.76 0.00 0.00 0.00 174.94 174.62 3ggm s LEU 7 N 1.75 3.80 0.32 2.97 1.43 -0.16 -0.96 118.68 127.83 3ggm s LEU 7 Ca 0.03 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3ggm s LEU 7 Cb -0.13 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3ggm s LEU 7 CO -0.05 -0.00 0.09 -0.72 0.23 0.00 0.00 176.35 175.89 3ggm s TYR 8 N 1.45 1.78 -1.30 0.29 1.13 -0.46 -0.76 117.35 119.48 3ggm s TYR 8 Ca 0.06 -1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 54.58 3ggm s TYR 8 Cb -0.15 -1.11 0.01 0.00 -1.10 0.00 0.00 41.96 39.61 3ggm s TYR 8 CO 0.06 -0.19 0.98 -1.71 -2.51 0.00 0.00 175.55 172.18 3ggm n ASN 9 N -0.73 -3.14 -1.20 -0.18 5.15 -0.62 -0.15 115.26 114.39 3ggm n ASN 9 Ca -0.02 -0.66 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 3ggm n ASN 9 Cb 0.66 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 3ggm n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ggm n GLY 10 N -1.49 4.57 2.98 8.20 0.00 0.18 -0.33 105.19 119.30 3ggm n GLY 10 Ca -0.19 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3ggm n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ggm s LYS 11 N -1.42 1.91 -0.06 1.61 1.02 -0.37 -4.07 119.74 118.37 3ggm s LYS 11 Ca 0.00 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.16 3ggm s LYS 11 Cb 0.00 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.93 3ggm s LYS 11 CO 0.00 -0.45 -0.06 0.42 -0.92 0.00 0.00 175.35 174.34 3ggm s ILE 12 N 1.42 0.70 0.12 2.17 1.01 0.15 -0.64 121.20 126.13 3ggm s ILE 12 Ca -0.02 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.24 3ggm s ILE 12 Cb -0.16 -0.73 -0.07 0.00 0.01 0.00 0.00 42.46 41.51 3ggm s ILE 12 CO -0.08 0.28 0.66 -0.89 0.00 0.00 0.00 174.94 174.91 3ggm s THR 13 N 1.18 4.58 -0.02 2.92 2.01 -1.26 -0.89 115.64 124.17 3ggm s THR 13 Ca -0.06 1.41 0.03 0.00 0.31 0.00 0.00 61.69 63.38 3ggm s THR 13 Cb -0.14 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 3ggm s THR 13 CO -0.01 0.53 0.04 0.35 -0.69 0.00 0.00 174.62 174.84 3ggm n THR 14 N 1.63 0.11 -1.17 -0.82 -2.24 -0.83 -4.97 114.28 105.99 3ggm n THR 14 Ca -0.08 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.53 3ggm n THR 14 Cb 0.50 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 3ggm n THR 14 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ggm n LEU 15 N -1.88 -0.39 -4.35 3.22 4.77 -1.26 -4.99 117.00 112.12 3ggm n LEU 15 Ca -0.03 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3ggm n LEU 15 Cb 0.36 -1.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 3ggm n LEU 15 CO 0.07 -0.35 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.08 3ggm s ASP 16 N -2.82 5.83 0.55 -1.43 -1.08 -1.26 -4.97 116.67 111.50 3ggm s ASP 16 Ca 0.00 -1.25 0.33 0.00 -0.52 0.00 0.00 52.55 51.12 3ggm s ASP 16 Cb 0.00 -2.06 1.49 0.00 -1.46 0.00 0.00 42.92 40.88 3ggm s ASP 16 CO 0.00 -0.51 1.82 -0.65 0.52 0.00 0.00 175.17 176.35 3ggm h PRO 17 N 8.52 0.00 -0.16 4.34 0.11 -1.97 0.30 132.00 143.14 3ggm h PRO 17 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 3ggm h PRO 17 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3ggm h PRO 17 CO 0.76 0.00 -0.39 0.77 -0.21 0.00 0.00 178.00 178.92 3ggm h SER 18 N 0.00 0.38 -1.55 -2.05 0.02 -2.03 -3.39 113.55 104.92 3ggm h SER 18 Ca 0.46 -0.16 -0.29 0.00 -0.84 0.00 0.00 61.79 60.96 3ggm h SER 18 Cb 1.95 -0.10 -0.25 0.00 0.14 0.00 0.00 62.40 64.13 3ggm h SER 18 CO -0.00 0.74 -0.64 0.00 -1.14 0.00 0.00 176.83 175.78 3ggm s GLN 19 N -4.21 0.88 0.56 3.45 -2.07 0.04 -5.02 119.66 113.30 3ggm s GLN 19 Ca -0.06 -1.11 0.24 0.00 -1.82 0.00 0.00 55.36 52.62 3ggm s GLN 19 Cb 0.13 -0.50 1.58 0.00 -1.09 0.00 0.00 33.01 33.12 3ggm s GLN 19 CO 0.79 -1.28 2.21 -1.00 -1.32 0.00 0.00 175.29 174.68 3ggm h PRO 20 N 6.03 0.00 -4.26 9.60 0.13 -1.62 -3.40 132.00 138.48 3ggm h PRO 20 Ca 0.10 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.88 3ggm h PRO 20 Cb 1.06 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.89 3ggm h PRO 20 CO 0.15 0.00 -0.76 -2.00 -0.23 0.00 0.00 178.00 175.17 3ggm s GLU 21 N -4.81 0.54 0.28 0.86 2.12 -1.26 -1.96 118.70 114.46 3ggm s GLU 21 Ca -0.05 -0.17 0.02 0.00 0.36 0.00 0.00 54.97 55.13 3ggm s GLU 21 Cb 0.16 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 3ggm s GLU 21 CO 0.60 0.07 0.13 0.14 -0.54 0.00 0.00 175.26 175.65 3ggm s VAL 22 N 0.16 0.41 -0.47 3.70 -7.23 -0.07 -4.97 120.40 111.94 3ggm s VAL 22 Ca -0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 3ggm s VAL 22 Cb -0.06 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 3ggm s VAL 22 CO -0.00 0.00 0.40 -1.54 -0.31 0.00 0.00 175.10 173.65 3ggm n SER 23 N -0.68 0.67 -3.90 4.85 3.41 -0.78 -0.67 113.62 116.53 3ggm n SER 23 Ca 0.01 -0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 57.68 3ggm n SER 23 Cb 0.66 0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 65.22 3ggm n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ggm s ALA 24 N -1.29 -0.20 -0.01 7.33 0.00 0.37 -0.65 121.76 127.32 3ggm s ALA 24 Ca 0.04 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.58 3ggm s ALA 24 Cb 0.05 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.38 3ggm s ALA 24 CO 0.21 -0.29 0.10 -1.50 0.00 0.00 0.00 175.76 174.28 3ggm s ILE 25 N -2.17 0.06 -0.06 0.00 2.07 0.06 -1.55 121.20 119.61 3ggm s ILE 25 Ca -0.09 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 3ggm s ILE 25 Cb -0.03 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.22 3ggm s ILE 25 CO -0.02 -0.27 -0.15 0.00 -1.91 0.00 0.00 174.94 172.58 3ggm s ALA 26 N -0.91 2.60 -0.10 1.50 0.00 0.18 -0.98 121.76 124.05 3ggm s ALA 26 Ca -0.10 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.93 3ggm s ALA 26 Cb -0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 3ggm s ALA 26 CO 0.01 0.49 -0.24 0.42 0.00 0.00 0.00 175.76 176.44 3ggm s ILE 27 N -0.50 2.03 -0.07 0.00 1.01 0.13 -1.22 121.20 122.57 3ggm s ILE 27 Ca 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 3ggm s ILE 27 Cb -0.12 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.63 3ggm s ILE 27 CO 0.01 0.55 -0.01 -0.89 0.00 0.00 0.00 174.94 174.61 3ggm s THR 28 N 0.31 0.44 -1.50 2.92 2.01 0.79 -0.99 115.64 119.63 3ggm s THR 28 Ca -0.18 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 3ggm s THR 28 Cb -0.18 -0.57 0.06 0.00 0.01 0.00 0.00 72.50 71.83 3ggm s THR 28 CO 0.08 0.26 0.69 0.47 -0.69 0.00 0.00 174.62 175.43 3ggm n ASP 29 N 4.94 -2.28 0.00 3.53 8.00 -1.26 -0.73 116.55 128.76 3ggm n ASP 29 Ca -0.11 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.47 3ggm n ASP 29 Cb 0.50 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3ggm n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ggm n GLY 30 N -1.70 1.41 3.52 0.44 0.00 -1.26 -5.02 105.19 102.58 3ggm n GLY 30 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 3ggm n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ggm s LEU 31 N 0.00 2.88 -0.28 0.99 1.43 0.09 -5.08 118.68 118.71 3ggm s LEU 31 Ca 0.00 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 3ggm s LEU 31 Cb 0.00 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3ggm s LEU 31 CO 0.00 0.27 1.35 -0.63 0.23 0.00 0.00 176.35 177.56 3ggm s ILE 32 N -0.96 4.08 -1.15 -0.59 -1.09 -1.26 -0.15 121.20 120.07 3ggm s ILE 32 Ca 0.16 1.22 0.16 0.00 -2.23 0.00 0.00 60.65 59.96 3ggm s ILE 32 Cb -0.11 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.61 3ggm s ILE 32 CO 0.07 -0.44 0.77 0.35 -1.23 0.00 0.00 174.94 174.46 3ggm n THR 33 N 6.21 0.00 -3.55 2.92 -2.24 -0.36 -4.94 114.28 112.32 3ggm n THR 33 Ca 0.15 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3ggm n THR 33 Cb 0.46 1.11 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 3ggm n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ggm s ALA 34 N -2.17 -1.82 0.01 6.98 0.00 -1.22 -4.98 121.76 118.55 3ggm s ALA 34 Ca 0.10 1.46 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 3ggm s ALA 34 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3ggm s ALA 34 CO 0.51 -0.35 -0.01 0.14 0.00 0.00 0.00 175.76 176.06 3ggm s VAL 35 N -1.00 0.04 0.00 0.00 -7.23 -1.26 -0.65 120.40 110.30 3ggm s VAL 35 Ca -0.07 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 3ggm s VAL 35 Cb -0.01 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.83 3ggm s VAL 35 CO 0.06 -0.18 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 3ggm n GLY 36 N 2.54 -0.43 0.00 2.32 0.00 -0.60 -5.01 105.19 104.02 3ggm n GLY 36 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3ggm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ggm n GLY 37 N 0.00 5.06 0.34 -0.02 0.00 -1.26 -0.48 105.19 108.84 3ggm n GLY 37 Ca 0.00 -1.96 0.18 0.00 0.00 0.00 0.00 46.02 44.24 3ggm n GLY 37 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ggm h ASP 38 N 0.00 0.00 -0.01 1.61 3.32 -1.96 -2.09 116.42 117.29 3ggm h ASP 38 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ggm h ASP 38 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ggm h ASP 38 CO 0.00 0.00 0.03 1.05 -1.72 0.00 0.00 179.24 178.60 3ggm h GLU 39 N 0.00 0.00 -0.28 3.56 9.09 -2.01 -0.60 114.58 124.34 3ggm h GLU 39 Ca 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.43 3ggm h GLU 39 Cb 0.51 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.60 3ggm h GLU 39 CO -0.00 0.00 0.09 -0.07 0.05 0.00 0.00 179.01 179.08 3ggm h LEU 40 N 0.00 0.35 -2.79 3.06 4.07 -1.76 -1.79 115.31 116.46 3ggm h LEU 40 Ca 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 3ggm h LEU 40 Cb 0.07 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 3ggm h LEU 40 CO -0.00 0.34 -0.00 -0.07 -1.08 0.00 0.00 178.44 177.63 3ggm h LEU 41 N 0.39 0.00 -1.77 1.67 3.38 -1.33 -0.46 115.31 117.19 3ggm h LEU 41 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ggm h LEU 41 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ggm h LEU 41 CO -0.01 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.31 3ggm h ASN 42 N 0.00 0.00 0.51 -0.43 2.35 -1.48 -2.54 115.58 113.99 3ggm h ASN 42 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ggm h ASN 42 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3ggm h ASN 42 CO 0.00 0.00 -0.17 -1.54 -1.65 0.00 0.00 177.43 174.07 3ggm n SER 43 N -3.04 0.41 -4.85 5.81 3.41 -0.18 -4.91 113.62 110.27 3ggm n SER 43 Ca -0.00 -0.30 -0.32 0.00 -0.26 0.00 0.00 58.87 57.99 3ggm n SER 43 Cb 0.25 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3ggm n SER 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ggm s ALA 44 N -2.69 3.04 0.39 7.33 0.00 -0.96 -4.41 121.76 124.47 3ggm s ALA 44 Ca 0.22 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.31 3ggm s ALA 44 Cb 0.19 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3ggm s ALA 44 CO 0.53 -0.47 0.10 0.95 0.00 0.00 0.00 175.76 176.87 3ggm s THR 45 N -2.83 0.82 0.60 0.00 -4.23 -1.26 -4.99 115.64 103.75 3ggm s THR 45 Ca 0.58 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 3ggm s THR 45 Cb -0.11 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.64 3ggm s THR 45 CO 0.41 0.00 1.97 -0.33 -0.54 0.00 0.00 174.62 176.13 3ggm h GLU 46 N 1.84 0.00 0.00 3.99 5.08 -2.00 0.37 114.58 123.86 3ggm h GLU 46 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3ggm h GLU 46 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3ggm h GLU 46 CO 0.62 0.00 -0.08 1.63 -1.00 0.00 0.00 179.01 180.18 3ggm n LYS 47 N -3.60 0.10 -2.71 2.33 5.02 -1.26 -4.82 118.16 113.21 3ggm n LYS 47 Ca 0.04 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3ggm n LYS 47 Cb 0.50 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3ggm n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ggm s THR 48 N -3.04 4.87 -0.19 -0.18 2.01 0.12 -4.91 115.64 114.31 3ggm s THR 48 Ca 0.12 2.06 -0.23 0.00 0.31 0.00 0.00 61.69 63.95 3ggm s THR 48 Cb 0.16 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 3ggm s THR 48 CO 0.58 0.16 0.72 -0.54 -0.69 0.00 0.00 174.62 174.84 3ggm s LYS 49 N 1.02 4.24 -0.19 4.92 3.01 -0.06 -4.85 119.74 127.82 3ggm s LYS 49 Ca 0.52 0.78 -0.04 0.00 -1.01 0.00 0.00 55.97 56.22 3ggm s LYS 49 Cb -0.21 -3.58 -0.02 0.00 -1.01 0.00 0.00 37.83 33.01 3ggm s LYS 49 CO 0.28 -0.29 -0.02 0.15 0.51 0.00 0.00 175.35 175.98 3ggm s LYS 50 N 2.06 3.59 -0.14 1.68 1.02 -1.26 -0.56 119.74 126.12 3ggm s LYS 50 Ca 0.33 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.79 3ggm s LYS 50 Cb -0.16 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.16 3ggm s LYS 50 CO 0.11 0.05 -0.18 0.42 -0.92 0.00 0.00 175.35 174.84 3ggm s ILE 51 N 0.87 1.78 -0.36 2.17 1.01 -0.13 -4.98 121.20 121.55 3ggm s ILE 51 Ca -0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3ggm s ILE 51 Cb -0.14 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.73 3ggm s ILE 51 CO 0.02 0.50 1.13 -0.62 0.00 0.00 0.00 174.94 175.96 3ggm s ASP 52 N 1.14 6.80 0.00 3.58 -1.08 -1.26 -1.36 116.67 124.49 3ggm s ASP 52 Ca -0.01 0.91 0.20 0.00 -0.52 0.00 0.00 52.55 53.13 3ggm s ASP 52 Cb -0.14 -2.54 0.95 0.00 -1.46 0.00 0.00 42.92 39.72 3ggm s ASP 52 CO -0.07 -1.02 1.65 0.18 0.52 0.00 0.00 175.17 176.44 3ggm n LEU 53 N 7.28 0.00 -3.97 -1.34 4.77 0.79 -4.91 117.00 119.62 3ggm n LEU 53 Ca 0.12 0.40 -0.30 0.00 -0.03 0.00 0.00 56.01 56.21 3ggm n LEU 53 Cb 0.48 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 3ggm n LEU 53 CO 0.63 -0.12 -0.00 0.29 -1.33 0.00 0.00 177.39 176.86 3ggm n LYS 54 N -1.40 -4.51 -0.99 3.23 5.02 -1.20 -1.76 118.16 116.54 3ggm n LYS 54 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3ggm n LYS 54 Cb 0.20 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.01 3ggm n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ggm n ARG 55 N -4.51 -0.90 -2.11 1.97 5.12 0.55 -5.00 116.66 111.78 3ggm n ARG 55 Ca -0.05 0.23 -0.33 0.00 -1.93 0.00 0.00 57.85 55.76 3ggm n ARG 55 Cb 0.56 -3.91 0.01 0.00 -1.16 0.00 0.00 32.46 27.96 3ggm n ARG 55 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ggm s LYS 56 N -0.91 3.32 -0.21 5.56 1.02 -0.72 -4.55 119.74 123.24 3ggm s LYS 56 Ca 0.00 1.31 -0.28 0.00 0.02 0.00 0.00 55.97 57.02 3ggm s LYS 56 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3ggm s LYS 56 CO 0.00 -0.82 0.97 0.50 -0.92 0.00 0.00 175.35 175.08 3ggm s ARG 57 N -3.84 4.26 -0.23 1.68 3.52 -1.26 -1.24 118.95 121.85 3ggm s ARG 57 Ca 0.66 1.24 -0.10 0.00 -0.13 0.00 0.00 55.73 57.40 3ggm s ARG 57 Cb -0.18 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.54 3ggm s ARG 57 CO 0.33 -0.54 0.14 0.00 -0.81 0.00 0.00 175.30 174.42 3ggm s ALA 58 N 2.90 3.54 -0.07 6.12 0.00 0.18 -4.90 121.76 129.53 3ggm s ALA 58 Ca 0.42 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.54 3ggm s ALA 58 Cb -0.16 -2.24 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 3ggm s ALA 58 CO 0.08 -0.16 -0.20 0.42 0.00 0.00 0.00 175.76 175.90 3ggm s ILE 59 N 0.99 1.72 0.45 0.00 1.01 -1.26 -4.52 121.20 119.59 3ggm s ILE 59 Ca 0.07 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 3ggm s ILE 59 Cb -0.13 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.76 3ggm s ILE 59 CO 0.04 0.49 1.26 -2.65 0.00 0.00 0.00 174.94 174.07 3ggm n PRO 60 N 3.33 1.83 -2.14 2.79 -0.02 -1.26 -4.90 135.00 134.62 3ggm n PRO 60 Ca -0.19 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 3ggm n PRO 60 Cb 0.52 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3ggm n PRO 60 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ggm s GLY 61 N -0.63 2.85 -0.27 -1.23 0.00 -1.26 -4.92 107.32 101.87 3ggm s GLY 61 Ca 0.63 1.08 -0.29 0.00 0.00 0.00 0.00 44.72 46.14 3ggm s GLY 61 CO 0.56 1.58 1.61 -2.27 0.00 0.00 0.00 173.10 174.59 3ggm s LEU 62 N -2.85 3.78 -0.30 0.66 0.20 -1.26 -4.96 118.68 113.94 3ggm s LEU 62 Ca 0.62 1.45 0.00 0.00 0.69 0.00 0.00 54.13 56.89 3ggm s LEU 62 Cb -0.33 -3.53 0.09 0.00 -0.43 0.00 0.00 46.19 41.99 3ggm s LEU 62 CO 0.41 -1.36 0.07 0.54 -0.29 0.00 0.00 176.35 175.72 3ggm s ASN 63 N 4.51 4.13 0.00 3.68 4.22 -1.26 -4.82 114.94 125.40 3ggm s ASN 63 Ca 0.71 -1.67 0.00 0.00 -2.14 0.00 0.00 52.86 49.76 3ggm s ASN 63 Cb -0.23 -1.06 -0.00 0.00 1.28 0.00 0.00 41.25 41.24 3ggm s ASN 63 CO 0.30 -0.38 -0.01 -0.62 -2.04 0.00 0.00 177.10 174.35 3ggm s ASP 64 N 1.44 0.10 0.62 3.54 2.15 -1.26 -5.04 116.67 118.21 3ggm s ASP 64 Ca 0.08 -0.05 0.34 0.00 0.43 0.00 0.00 52.55 53.34 3ggm s ASP 64 Cb -0.18 0.00 1.93 0.00 -0.30 0.00 0.00 42.92 44.38 3ggm s ASP 64 CO -0.18 -0.02 2.22 0.77 -0.17 0.00 0.00 175.17 177.79 3ggm h SER 65 N 6.00 0.00 -0.02 -0.34 4.64 -2.06 -1.73 113.55 120.04 3ggm h SER 65 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ggm h SER 65 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ggm h SER 65 CO 0.50 0.00 -0.01 1.41 -0.87 0.00 0.00 176.83 177.86 3ggm n HIS 66 N -3.56 0.00 -5.04 4.77 8.25 -1.26 -4.91 115.22 113.48 3ggm n HIS 66 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3ggm n HIS 66 Cb 0.17 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.11 3ggm n HIS 66 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ggm s ILE 67 N -2.02 1.71 -0.21 1.59 -1.09 -0.65 -5.11 121.20 115.43 3ggm s ILE 67 Ca 0.34 -0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 57.86 3ggm s ILE 67 Cb 0.21 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 39.64 3ggm s ILE 67 CO 0.33 0.48 -0.10 -2.28 -1.23 0.00 0.00 174.94 172.14 3ggm s HIS 68 N -0.11 2.92 -0.27 3.97 5.65 -1.26 -4.58 115.29 121.61 3ggm s HIS 68 Ca -0.02 -1.32 -0.20 0.00 0.25 0.00 0.00 55.06 53.77 3ggm s HIS 68 Cb -0.12 -2.03 -0.02 0.00 -1.18 0.00 0.00 32.58 29.23 3ggm s HIS 68 CO 0.02 -0.68 0.63 0.08 -0.65 0.00 0.00 174.74 174.15 3ggm s VAL 69 N 1.38 4.97 -0.12 0.89 1.01 -1.26 -5.02 120.40 122.25 3ggm s VAL 69 Ca 0.04 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 3ggm s VAL 69 Cb -0.14 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3ggm s VAL 69 CO -0.07 -0.03 1.31 -0.63 0.00 0.00 0.00 175.10 175.68 3ggm s ILE 70 N 2.54 4.14 -0.37 2.22 1.01 -1.26 -4.87 121.20 124.61 3ggm s ILE 70 Ca 0.26 1.41 0.15 0.00 0.00 0.00 0.00 60.65 62.47 3ggm s ILE 70 Cb -0.15 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.20 3ggm s ILE 70 CO 0.10 -0.09 0.49 0.54 0.00 0.00 0.00 174.94 175.97 3ggm n ARG 71 N 6.31 1.25 0.00 2.79 5.12 -1.26 -4.59 116.66 126.28 3ggm n ARG 71 Ca 0.14 -0.07 0.08 0.00 -1.93 0.00 0.00 57.85 56.07 3ggm n ARG 71 Cb 0.45 -1.29 0.47 0.00 -1.16 0.00 0.00 32.46 30.92 3ggm n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ggm n GLY 72 N 1.49 -0.62 0.40 -0.13 0.00 -1.26 -5.37 105.19 99.69 3ggm n GLY 72 Ca 0.00 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.07 3ggm n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36