#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 5.77 -0.05 6.12 2.20 -1.26 -4.97 114.94 122.75 3ggm s ASN 1 Ca 0.00 1.23 -0.30 0.00 -0.94 0.00 0.00 52.86 52.85 3ggm s ASN 1 Cb 0.00 -2.14 -0.06 0.00 -2.00 0.00 0.00 41.25 37.05 3ggm s ASN 1 CO 0.00 -1.14 1.73 -0.69 -2.94 0.00 0.00 177.10 174.07 3ggm s VAL 2 N -3.27 3.46 0.55 3.54 1.01 -1.26 -4.95 120.40 119.47 3ggm s VAL 2 Ca 0.57 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.93 3ggm s VAL 2 Cb -0.11 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 3ggm s VAL 2 CO 0.52 -0.07 1.03 -2.16 0.00 0.00 0.00 175.10 174.42 3ggm s PRO 3 N 4.25 3.60 0.21 2.72 0.04 -1.26 -4.95 135.00 139.61 3ggm s PRO 3 Ca 0.77 1.13 0.10 0.00 0.04 0.00 0.00 61.00 63.05 3ggm s PRO 3 Cb -0.35 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.18 3ggm s PRO 3 CO 0.32 -0.57 1.43 -0.44 0.04 0.00 0.00 177.00 177.79 3ggm h ASP 4 N 0.75 0.00 -4.34 6.66 3.32 -0.89 -3.38 116.42 118.54 3ggm h ASP 4 Ca -0.47 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.48 3ggm h ASP 4 Cb 1.21 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.54 3ggm h ASP 4 CO 0.59 0.77 -0.11 -0.32 -1.72 0.00 0.00 179.24 178.45 3ggm s MET 5 N -3.07 0.68 -0.07 3.56 0.00 -0.63 -1.89 119.30 117.88 3ggm s MET 5 Ca 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 55.69 56.11 3ggm s MET 5 Cb 0.10 0.32 0.03 0.00 0.00 0.00 0.00 34.83 35.28 3ggm s MET 5 CO 0.78 -0.14 -0.02 0.42 0.00 0.00 0.00 175.02 176.06 3ggm s ILE 6 N -0.34 0.52 -0.19 10.11 1.01 0.33 -0.60 121.20 132.04 3ggm s ILE 6 Ca -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.55 3ggm s ILE 6 Cb -0.03 -0.63 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 3ggm s ILE 6 CO 0.03 0.27 0.02 -0.76 0.00 0.00 0.00 174.94 174.50 3ggm s LEU 7 N 1.73 3.42 0.27 2.97 1.02 -0.51 -0.57 118.68 127.02 3ggm s LEU 7 Ca 0.02 -0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.08 3ggm s LEU 7 Cb -0.13 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 3ggm s LEU 7 CO -0.05 0.10 0.18 -0.72 0.02 0.00 0.00 176.35 175.88 3ggm s TYR 8 N 0.80 1.49 -1.35 0.29 1.13 -0.64 -0.69 117.35 118.38 3ggm s TYR 8 Ca 0.01 -1.45 -0.08 0.00 -1.41 0.00 0.00 57.07 54.14 3ggm s TYR 8 Cb -0.14 -0.72 0.01 0.00 -1.10 0.00 0.00 41.96 40.01 3ggm s TYR 8 CO 0.02 -0.65 1.16 -1.71 -2.51 0.00 0.00 175.55 171.86 3ggm n ASN 9 N -0.86 -5.91 -0.39 -0.18 5.15 -0.60 -1.20 115.26 111.26 3ggm n ASN 9 Ca 0.03 -0.56 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 3ggm n ASN 9 Cb 0.65 -4.99 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 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 -1.92 5.75 2.88 8.20 0.00 -0.30 0.57 105.19 120.37 3ggm n GLY 10 Ca -0.02 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 0.19 1.35 -0.19 1.61 1.02 -0.38 -4.08 119.74 119.26 3ggm s LYS 11 Ca 0.00 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.08 3ggm s LYS 11 Cb 0.00 -2.47 0.04 0.00 -0.52 0.00 0.00 37.83 34.88 3ggm s LYS 11 CO 0.00 -0.65 -0.10 0.42 -0.92 0.00 0.00 175.35 174.10 3ggm s ILE 12 N 1.49 1.54 0.12 2.17 1.01 0.89 -0.59 121.20 127.83 3ggm s ILE 12 Ca -0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 3ggm s ILE 12 Cb -0.18 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 3ggm s ILE 12 CO -0.08 0.20 1.07 -0.89 0.00 0.00 0.00 174.94 175.23 3ggm s THR 13 N 1.45 4.17 -0.06 2.92 2.01 -1.26 -1.39 115.64 123.48 3ggm s THR 13 Ca -0.00 1.76 0.11 0.00 0.31 0.00 0.00 61.69 63.87 3ggm s THR 13 Cb -0.16 -4.12 -0.16 0.00 0.01 0.00 0.00 72.50 68.07 3ggm s THR 13 CO -0.08 0.25 0.16 0.35 -0.69 0.00 0.00 174.62 174.60 3ggm n THR 14 N 2.90 0.37 -2.05 -0.82 -2.24 -0.71 -4.95 114.28 106.78 3ggm n THR 14 Ca 0.04 -0.37 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 3ggm n THR 14 Cb 0.47 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.16 -1.32 -4.18 3.22 4.77 -1.26 -5.00 117.00 111.07 3ggm n LEU 15 Ca -0.10 0.03 -0.35 0.00 -0.03 0.00 0.00 56.01 55.56 3ggm n LEU 15 Cb 0.58 -1.61 -0.13 0.00 -2.33 0.00 0.00 43.42 39.92 3ggm n LEU 15 CO 0.25 -0.16 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.20 3ggm s ASP 16 N -2.62 4.97 0.44 -1.43 -1.08 -1.26 -4.99 116.67 110.70 3ggm s ASP 16 Ca 0.00 -1.33 0.23 0.00 -0.52 0.00 0.00 52.55 50.93 3ggm s ASP 16 Cb 0.00 -1.74 1.22 0.00 -1.46 0.00 0.00 42.92 40.95 3ggm s ASP 16 CO 0.00 -0.29 1.80 -0.65 0.52 0.00 0.00 175.17 176.55 3ggm h PRO 17 N 8.02 0.27 0.25 4.34 0.11 -1.97 -1.34 132.00 141.69 3ggm h PRO 17 Ca -0.20 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3ggm h PRO 17 Cb 1.06 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ggm h PRO 17 CO 0.55 0.18 -0.15 0.77 -0.21 0.00 0.00 178.00 179.14 3ggm h SER 18 N 0.28 -0.37 -2.60 -2.05 0.02 -2.03 -3.38 113.55 103.42 3ggm h SER 18 Ca 0.56 0.02 -0.58 0.00 -0.84 0.00 0.00 61.79 60.95 3ggm h SER 18 Cb 1.64 0.11 -0.39 0.00 0.14 0.00 0.00 62.40 63.90 3ggm h SER 18 CO -0.20 -0.24 -0.87 0.00 -1.14 0.00 0.00 176.83 174.38 3ggm s GLN 19 N -6.13 0.69 0.57 3.45 -2.07 -0.66 -4.99 119.66 110.52 3ggm s GLN 19 Ca -0.15 -1.56 0.38 0.00 -1.82 0.00 0.00 55.36 52.21 3ggm s GLN 19 Cb 0.05 -1.41 1.99 0.00 -1.09 0.00 0.00 33.01 32.55 3ggm s GLN 19 CO 0.65 -1.25 2.16 -1.00 -1.32 0.00 0.00 175.29 174.53 3ggm h PRO 20 N 6.68 0.00 -3.24 9.60 0.13 -1.47 -3.41 132.00 140.29 3ggm h PRO 20 Ca 0.10 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.96 3ggm h PRO 20 Cb 0.95 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.74 3ggm h PRO 20 CO 0.30 0.00 -0.64 -2.00 -0.23 0.00 0.00 178.00 175.44 3ggm s GLU 21 N -3.93 0.04 0.29 0.86 2.56 -1.26 -1.73 118.70 115.53 3ggm s GLU 21 Ca -0.03 0.41 0.04 0.00 0.00 0.00 0.00 54.97 55.39 3ggm s GLU 21 Cb 0.11 -0.24 -0.06 0.00 2.00 0.00 0.00 34.13 35.94 3ggm s GLU 21 CO 0.39 -0.22 0.01 0.14 -0.56 0.00 0.00 175.26 175.02 3ggm s VAL 22 N 1.58 1.28 -0.75 3.70 -7.23 -0.48 -4.95 120.40 113.55 3ggm s VAL 22 Ca -0.04 -2.04 0.13 0.00 -1.81 0.00 0.00 61.98 58.22 3ggm s VAL 22 Cb -0.12 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.12 3ggm s VAL 22 CO -0.05 -0.16 0.59 -1.54 -0.31 0.00 0.00 175.10 173.63 3ggm n SER 23 N -0.60 0.80 -3.87 4.85 3.41 -0.75 -0.08 113.62 117.38 3ggm n SER 23 Ca -0.04 -0.90 -0.10 0.00 -0.26 0.00 0.00 58.87 57.57 3ggm n SER 23 Cb 0.65 0.88 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 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 -2.08 -0.27 -0.05 7.33 0.00 0.11 -1.15 121.76 125.65 3ggm s ALA 24 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 3ggm s ALA 24 Cb 0.10 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.47 3ggm s ALA 24 CO 0.48 -0.32 0.25 -1.50 0.00 0.00 0.00 175.76 174.68 3ggm s ILE 25 N -2.33 0.04 -0.02 0.00 2.07 0.13 -0.43 121.20 120.66 3ggm s ILE 25 Ca -0.07 -0.32 0.05 0.00 -1.41 0.00 0.00 60.65 58.90 3ggm s ILE 25 Cb -0.02 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 3ggm s ILE 25 CO -0.03 -0.18 -0.17 0.00 -1.91 0.00 0.00 174.94 172.65 3ggm s ALA 26 N -0.71 2.56 -0.05 1.50 0.00 0.30 -1.43 121.76 123.93 3ggm s ALA 26 Ca -0.08 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.85 3ggm s ALA 26 Cb -0.04 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3ggm s ALA 26 CO 0.02 0.56 -0.10 0.42 0.00 0.00 0.00 175.76 176.66 3ggm s ILE 27 N -0.75 0.94 -0.08 0.00 1.01 0.23 -1.57 121.20 120.98 3ggm s ILE 27 Ca 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 3ggm s ILE 27 Cb -0.10 -0.87 0.03 0.00 0.01 0.00 0.00 42.46 41.53 3ggm s ILE 27 CO 0.01 0.30 0.01 -0.89 0.00 0.00 0.00 174.94 174.38 3ggm s THR 28 N 0.59 0.35 -1.32 2.92 2.01 -0.21 -0.15 115.64 119.83 3ggm s THR 28 Ca -0.11 0.11 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3ggm s THR 28 Cb -0.14 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.85 3ggm s THR 28 CO 0.02 0.23 0.91 0.47 -0.69 0.00 0.00 174.62 175.56 3ggm n ASP 29 N 5.15 -2.82 0.00 3.53 8.00 -1.26 -1.91 116.55 127.25 3ggm n ASP 29 Ca -0.07 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.72 3ggm n ASP 29 Cb 0.50 -4.48 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 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 -1.54 0.44 3.51 0.44 0.00 -1.26 -4.99 105.19 101.79 3ggm n GLY 30 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 2.80 -0.29 0.99 1.43 -0.80 -5.08 118.68 117.73 3ggm s LEU 31 Ca 0.00 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 3ggm s LEU 31 Cb 0.00 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3ggm s LEU 31 CO 0.00 0.22 1.05 -0.63 0.23 0.00 0.00 176.35 177.21 3ggm s ILE 32 N -1.07 4.58 -0.18 -0.59 -1.09 -1.26 -1.05 121.20 120.54 3ggm s ILE 32 Ca 0.18 1.81 0.22 0.00 -2.23 0.00 0.00 60.65 60.62 3ggm s ILE 32 Cb -0.11 -4.37 -0.32 0.00 -1.58 0.00 0.00 42.46 36.09 3ggm s ILE 32 CO 0.09 -0.37 0.55 0.35 -1.23 0.00 0.00 174.94 174.33 3ggm n THR 33 N 5.67 0.01 -3.55 2.92 -2.24 -0.61 -4.96 114.28 111.52 3ggm n THR 33 Ca 0.12 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 3ggm n THR 33 Cb 0.47 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.44 -1.85 0.04 6.98 0.00 -1.23 -4.99 121.76 117.27 3ggm s ALA 34 Ca -0.06 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3ggm s ALA 34 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3ggm s ALA 34 CO 0.90 -0.36 -0.08 0.14 0.00 0.00 0.00 175.76 176.36 3ggm s VAL 35 N -1.27 0.58 0.00 0.00 -7.23 -1.26 -0.54 120.40 110.68 3ggm s VAL 35 Ca -0.06 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3ggm s VAL 35 Cb -0.00 -0.62 0.00 0.00 0.56 0.00 0.00 36.38 36.31 3ggm s VAL 35 CO 0.05 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 3ggm n GLY 36 N 1.59 -0.53 0.00 2.32 0.00 0.43 -4.97 105.19 104.03 3ggm n GLY 36 Ca -0.22 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 5.81 0.34 -0.02 0.00 -1.26 0.08 105.19 110.14 3ggm n GLY 37 Ca 0.00 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.45 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 0.22 1.61 5.19 -1.97 -1.72 116.42 119.76 3ggm h ASP 38 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3ggm h ASP 38 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3ggm h ASP 38 CO 0.00 0.00 0.00 1.05 -3.12 0.00 0.00 179.24 177.17 3ggm h GLU 39 N 0.00 0.00 0.00 3.56 9.09 -2.02 -1.24 114.58 123.97 3ggm h GLU 39 Ca 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.44 3ggm h GLU 39 Cb 0.47 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.56 3ggm h GLU 39 CO -0.00 0.00 -0.11 -0.07 0.05 0.00 0.00 179.01 178.88 3ggm h LEU 40 N 0.00 0.00 -1.53 3.06 4.07 -1.70 -2.07 115.31 117.14 3ggm h LEU 40 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ggm h LEU 40 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3ggm h LEU 40 CO 0.00 0.11 0.00 -0.07 -1.08 0.00 0.00 178.44 177.40 3ggm h LEU 41 N 0.00 0.00 -1.97 1.67 3.38 -1.44 -1.55 115.31 115.39 3ggm h LEU 41 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ggm h LEU 41 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ggm h LEU 41 CO 0.01 0.00 -0.05 0.78 0.09 0.00 0.00 178.44 179.27 3ggm h ASN 42 N 0.00 0.00 0.52 -0.43 2.35 -1.57 -2.53 115.58 113.92 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 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ggm h ASN 42 CO 0.00 0.05 -0.36 -1.54 -1.65 0.00 0.00 177.43 173.93 3ggm n SER 43 N -3.28 0.51 -4.80 5.81 3.41 -0.58 -4.94 113.62 109.73 3ggm n SER 43 Ca -0.01 -0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 57.99 3ggm n SER 43 Cb 0.23 0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 -2.88 3.06 0.05 7.33 0.00 -0.96 -4.31 121.76 124.06 3ggm s ALA 44 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3ggm s ALA 44 Cb 0.18 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 3ggm s ALA 44 CO 0.63 0.05 0.01 0.25 0.00 0.00 0.00 175.76 176.70 3ggm n THR 45 N -0.33 0.00 0.28 0.00 -2.24 -1.26 -4.99 114.28 105.74 3ggm n THR 45 Ca 0.06 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 61.71 3ggm n THR 45 Cb 0.52 0.09 0.83 0.00 -2.10 0.00 0.00 70.33 69.67 3ggm n THR 45 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ggm h GLU 46 N 0.00 0.00 0.00 -0.78 5.08 -2.00 -2.29 114.58 114.59 3ggm h GLU 46 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ggm h GLU 46 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ggm h GLU 46 CO 0.06 0.05 -0.17 1.63 -1.00 0.00 0.00 179.01 179.59 3ggm n LYS 47 N -3.79 0.26 -2.58 2.33 5.02 -1.26 -4.86 118.16 113.29 3ggm n LYS 47 Ca -0.03 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3ggm n LYS 47 Cb 0.15 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 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 -3.11 4.50 0.04 -0.18 2.01 -0.86 -4.90 115.64 113.14 3ggm s THR 48 Ca 0.10 1.80 -0.21 0.00 0.31 0.00 0.00 61.69 63.69 3ggm s THR 48 Cb 0.13 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 3ggm s THR 48 CO 0.63 0.13 0.60 -0.54 -0.69 0.00 0.00 174.62 174.75 3ggm s LYS 49 N 1.10 4.29 -0.04 4.92 3.01 -0.79 -4.84 119.74 127.38 3ggm s LYS 49 Ca 0.55 0.78 0.07 0.00 -1.01 0.00 0.00 55.97 56.36 3ggm s LYS 49 Cb -0.25 -3.29 -0.01 0.00 -1.01 0.00 0.00 37.83 33.27 3ggm s LYS 49 CO 0.28 0.49 -0.25 0.15 0.51 0.00 0.00 175.35 176.53 3ggm s LYS 50 N -0.64 2.39 -0.18 1.68 1.02 -1.26 -0.51 119.74 122.23 3ggm s LYS 50 Ca 0.31 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3ggm s LYS 50 Cb -0.19 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3ggm s LYS 50 CO 0.19 0.45 -0.08 0.42 -0.92 0.00 0.00 175.35 175.41 3ggm s ILE 51 N -0.34 1.39 -0.61 2.17 1.01 0.27 -4.97 121.20 120.12 3ggm s ILE 51 Ca 0.02 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 3ggm s ILE 51 Cb -0.12 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.86 3ggm s ILE 51 CO 0.02 0.14 1.12 -0.62 0.00 0.00 0.00 174.94 175.60 3ggm s ASP 52 N 1.51 6.33 0.09 3.58 -1.08 -1.26 -1.62 116.67 124.21 3ggm s ASP 52 Ca -0.00 -0.25 0.11 0.00 -0.52 0.00 0.00 52.55 51.89 3ggm s ASP 52 Cb -0.16 -2.51 0.51 0.00 -1.46 0.00 0.00 42.92 39.30 3ggm s ASP 52 CO -0.08 -1.48 1.34 0.18 0.52 0.00 0.00 175.17 175.66 3ggm n LEU 53 N 8.28 0.18 -3.73 -1.34 4.77 -0.34 -4.87 117.00 119.94 3ggm n LEU 53 Ca 0.04 0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 56.36 3ggm n LEU 53 Cb 0.48 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3ggm n LEU 53 CO 0.68 -0.50 -0.10 0.29 -1.33 0.00 0.00 177.39 176.43 3ggm n LYS 54 N -1.72 -4.29 -0.74 3.23 5.02 -1.19 -1.70 118.16 116.78 3ggm n LYS 54 Ca 0.01 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 3ggm n LYS 54 Cb 0.09 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 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 -4.26 -0.41 -1.59 1.97 5.12 0.19 -4.98 116.66 112.70 3ggm n ARG 55 Ca -0.28 0.10 -0.31 0.00 -1.93 0.00 0.00 57.85 55.43 3ggm n ARG 55 Cb 0.67 -4.11 0.05 0.00 -1.16 0.00 0.00 32.46 27.92 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 -0.94 2.80 0.32 5.56 1.02 -0.69 -4.44 119.74 123.37 3ggm s LYS 56 Ca 0.00 1.10 -0.23 0.00 0.02 0.00 0.00 55.97 56.85 3ggm s LYS 56 Cb 0.00 -1.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3ggm s LYS 56 CO 0.00 -1.21 0.89 0.50 -0.92 0.00 0.00 175.35 174.61 3ggm s ARG 57 N -4.75 4.43 -0.04 1.68 3.52 -1.26 -1.25 118.95 121.29 3ggm s ARG 57 Ca 0.61 1.16 0.03 0.00 -0.13 0.00 0.00 55.73 57.40 3ggm s ARG 57 Cb -0.16 -2.69 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3ggm s ARG 57 CO 0.51 0.25 -0.13 0.00 -0.81 0.00 0.00 175.30 175.11 3ggm s ALA 58 N -1.71 1.20 0.05 6.12 0.00 0.24 -4.86 121.76 122.80 3ggm s ALA 58 Ca 0.51 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3ggm s ALA 58 Cb -0.16 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 3ggm s ALA 58 CO 0.21 0.21 -0.08 0.96 0.00 0.00 0.00 175.76 177.05 3ggm s ILE 59 N 0.13 0.62 0.36 0.00 -4.36 -1.26 -4.18 121.20 112.51 3ggm s ILE 59 Ca -0.04 -1.22 -0.28 0.00 -0.26 0.00 0.00 60.65 58.85 3ggm s ILE 59 Cb -0.10 -0.80 -0.11 0.00 1.25 0.00 0.00 42.46 42.70 3ggm s ILE 59 CO 0.01 -0.43 1.51 -2.84 0.24 0.00 0.00 174.94 173.43 3ggm s PRO 60 N -1.90 4.11 0.53 0.37 0.02 -1.26 -4.95 135.00 131.92 3ggm s PRO 60 Ca -0.06 2.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 3ggm s PRO 60 Cb -0.08 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 3ggm s PRO 60 CO -0.00 -0.55 1.25 0.20 -0.33 0.00 0.00 177.00 177.56 3ggm s GLY 61 N -0.02 2.81 0.05 0.52 0.00 -1.26 -4.86 107.32 104.55 3ggm s GLY 61 Ca 0.55 1.10 -0.34 0.00 0.00 0.00 0.00 44.72 46.03 3ggm s GLY 61 CO 0.60 1.56 1.73 -0.10 0.00 0.00 0.00 173.10 176.89 3ggm n LEU 62 N -1.01 3.31 -3.61 0.66 -0.00 -1.26 -4.92 117.00 110.17 3ggm n LEU 62 Ca 0.10 1.03 -0.29 0.00 -0.00 0.00 0.00 56.01 56.85 3ggm n LEU 62 Cb 0.47 -1.41 -0.13 0.00 -0.00 0.00 0.00 43.42 42.35 3ggm n LEU 62 CO 0.48 -0.16 -0.30 0.21 -0.00 0.00 0.00 177.39 177.63 3ggm s ASN 63 N 2.42 3.46 0.01 1.96 3.04 -1.26 -4.84 114.94 119.73 3ggm s ASN 63 Ca 0.85 -2.16 0.01 0.00 0.04 0.00 0.00 52.86 51.60 3ggm s ASN 63 Cb -0.67 -0.71 -0.01 0.00 -1.54 0.00 0.00 41.25 38.32 3ggm s ASN 63 CO 0.44 -0.33 -0.03 -0.62 -3.04 0.00 0.00 177.10 173.52 3ggm s ASP 64 N 1.01 0.29 0.21 -4.21 2.15 -1.26 -5.04 116.67 109.82 3ggm s ASP 64 Ca 0.16 -0.28 0.21 0.00 0.43 0.00 0.00 52.55 53.06 3ggm s ASP 64 Cb -0.22 0.03 0.91 0.00 -0.30 0.00 0.00 42.92 43.34 3ggm s ASP 64 CO -0.07 -0.14 1.63 -1.54 -0.17 0.00 0.00 175.17 174.88 3ggm n SER 65 N 2.27 0.51 -0.51 -0.34 3.41 -1.26 -2.65 113.62 115.06 3ggm n SER 65 Ca -0.18 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 3ggm n SER 65 Cb 0.57 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3ggm n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ggm n HIS 66 N -2.09 0.00 -4.23 7.33 8.25 -1.26 -4.96 115.22 118.27 3ggm n HIS 66 Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.31 3ggm n HIS 66 Cb 0.18 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.14 3ggm n HIS 66 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3ggm s ILE 67 N -2.45 0.60 -0.20 1.59 -4.36 -1.08 -5.12 121.20 110.16 3ggm s ILE 67 Ca 0.19 -0.50 -0.06 0.00 -0.26 0.00 0.00 60.65 60.02 3ggm s ILE 67 Cb 0.18 -0.54 -0.03 0.00 1.25 0.00 0.00 42.46 43.32 3ggm s ILE 67 CO 0.56 0.05 0.04 -2.28 0.24 0.00 0.00 174.94 173.54 3ggm s HIS 68 N -0.44 3.13 -0.40 1.37 5.65 -1.26 -4.53 115.29 118.81 3ggm s HIS 68 Ca 0.00 -0.21 -0.21 0.00 0.25 0.00 0.00 55.06 54.89 3ggm s HIS 68 Cb -0.04 -2.11 0.01 0.00 -1.18 0.00 0.00 32.58 29.26 3ggm s HIS 68 CO 0.00 -0.09 0.68 0.08 -0.65 0.00 0.00 174.74 174.76 3ggm s VAL 69 N 0.85 4.81 -0.13 0.89 1.01 -1.26 -5.01 120.40 121.56 3ggm s VAL 69 Ca 0.03 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 3ggm s VAL 69 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3ggm s VAL 69 CO 0.02 -0.49 1.67 -0.63 0.00 0.00 0.00 175.10 175.68 3ggm s ILE 70 N 2.88 3.59 0.27 2.22 1.01 -1.26 -4.99 121.20 124.91 3ggm s ILE 70 Ca 0.25 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.67 3ggm s ILE 70 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3ggm s ILE 70 CO 0.18 -0.16 0.19 -0.13 0.00 0.00 0.00 174.94 175.02 3ggm s ARG 71 N 4.45 2.83 0.00 2.79 1.81 -1.26 -4.67 118.95 124.90 3ggm s ARG 71 Ca 0.74 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 3ggm s ARG 71 Cb -0.30 -2.51 0.00 0.00 -0.45 0.00 0.00 34.95 31.69 3ggm s ARG 71 CO 0.30 0.34 0.00 0.41 -0.68 0.00 0.00 175.30 175.67 3ggm n GLY 72 N -1.19 0.56 3.72 -3.53 0.00 -1.26 -5.06 105.19 98.44 3ggm n GLY 72 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3ggm n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ggm s LEU 73 N 0.00 4.41 0.00 0.99 1.43 -1.26 -5.38 118.68 118.87 3ggm s LEU 73 Ca 0.00 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 3ggm s LEU 73 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3ggm s LEU 73 CO 0.00 -0.42 0.00 -0.62 0.23 0.00 0.00 176.35 175.54