#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgi n THR 7 N 0.00 1.49 -2.04 12.58 -1.04 -1.26 -4.98 114.28 119.04 3cgi n THR 7 Ca 0.00 0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 3cgi n THR 7 Cb 0.00 -2.27 -0.03 0.00 -1.82 0.00 0.00 70.33 66.21 3cgi n THR 7 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3cgi s ASP 8 N -6.17 6.69 0.00 8.00 1.11 -1.26 -4.99 116.67 120.05 3cgi s ASP 8 Ca -0.28 2.60 0.02 0.00 0.18 0.00 0.00 52.55 55.07 3cgi s ASP 8 Cb 0.05 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 3cgi s ASP 8 CO 0.41 -0.69 -0.05 -0.60 1.18 0.00 0.00 175.17 175.41 3cgi s ARG 9 N -0.04 0.42 0.05 8.23 3.52 -1.26 -5.15 118.95 124.71 3cgi s ARG 9 Ca 0.61 -0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.81 3cgi s ARG 9 Cb -0.41 -0.37 0.02 0.00 -1.56 0.00 0.00 34.95 32.63 3cgi s ARG 9 CO 0.40 0.10 0.30 1.41 -0.81 0.00 0.00 175.30 176.70 3cgi s MET 10 N -0.34 0.82 -0.17 5.12 1.75 -1.26 -5.15 119.30 120.08 3cgi s MET 10 Ca 0.00 -0.53 -0.16 0.00 -1.25 0.00 0.00 55.69 53.75 3cgi s MET 10 Cb -0.03 0.36 -0.04 0.00 2.84 0.00 0.00 34.83 37.95 3cgi s MET 10 CO -0.00 -0.27 0.40 0.42 -0.65 0.00 0.00 175.02 174.93 3cgi s ILE 11 N -2.65 5.21 -0.24 10.11 1.01 -1.26 -5.07 121.20 128.31 3cgi s ILE 11 Ca -0.04 0.76 -0.03 0.00 0.00 0.00 0.00 60.65 61.34 3cgi s ILE 11 Cb -0.01 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.74 3cgi s ILE 11 CO -0.04 0.30 -0.05 -1.10 0.00 0.00 0.00 174.94 174.05 3cgi s GLN 12 N 0.96 3.01 -0.32 2.79 1.11 -1.26 -5.07 119.66 120.88 3cgi s GLN 12 Ca 0.21 -0.86 -0.24 0.00 0.01 0.00 0.00 55.36 54.47 3cgi s GLN 12 Cb -0.14 -3.01 0.00 0.00 -1.01 0.00 0.00 33.01 28.85 3cgi s GLN 12 CO 0.08 -0.34 0.81 -1.21 0.01 0.00 0.00 175.29 174.64 3cgi s GLU 13 N 1.38 3.91 -0.02 2.91 2.02 -1.26 -5.04 118.70 122.61 3cgi s GLU 13 Ca 0.02 0.55 -0.18 0.00 0.02 0.00 0.00 54.97 55.38 3cgi s GLU 13 Cb -0.16 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 3cgi s GLU 13 CO -0.04 -0.75 0.51 1.52 0.02 0.00 0.00 175.26 176.52 3cgi s TYR 14 N 3.06 3.68 -0.01 1.61 1.13 -1.26 -5.07 117.35 120.49 3cgi s TYR 14 Ca 0.33 1.08 -0.06 0.00 -1.41 0.00 0.00 57.07 57.01 3cgi s TYR 14 Cb -0.14 -2.48 0.00 0.00 -1.10 0.00 0.00 41.96 38.25 3cgi s TYR 14 CO 0.14 0.44 0.12 0.14 -2.51 0.00 0.00 175.55 173.88 3cgi s VAL 15 N -0.43 0.07 0.38 -3.49 -7.23 -1.26 -5.15 120.40 103.28 3cgi s VAL 15 Ca 0.27 -0.56 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 3cgi s VAL 15 Cb -0.17 -0.37 -0.09 0.00 0.56 0.00 0.00 36.38 36.31 3cgi s VAL 15 CO 0.15 -0.31 1.16 -2.16 -0.31 0.00 0.00 175.10 173.63 3cgi s PRO 16 N -1.07 4.18 0.96 4.82 0.04 -1.26 -5.05 135.00 137.62 3cgi s PRO 16 Ca -0.12 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 3cgi s PRO 16 Cb -0.06 -2.77 0.19 0.00 0.04 0.00 0.00 34.50 31.89 3cgi s PRO 16 CO 0.01 -0.21 1.28 0.20 0.04 0.00 0.00 177.00 178.32 3cgi s GLY 17 N -1.08 1.74 -0.34 0.56 0.00 -1.26 -4.87 107.32 102.07 3cgi s GLY 17 Ca 0.55 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 3cgi s GLY 17 CO 0.39 -0.36 0.06 0.54 0.00 0.00 0.00 173.10 173.74 3cgi s LYS 18 N -5.80 2.10 -0.26 2.90 1.02 -1.25 -2.33 119.74 116.11 3cgi s LYS 18 Ca 0.72 -1.56 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3cgi s LYS 18 Cb -0.05 -3.28 0.07 0.00 -0.52 0.00 0.00 37.83 34.04 3cgi s LYS 18 CO 0.53 -0.82 0.67 -1.14 -0.92 0.00 0.00 175.35 173.67 3cgi s GLN 19 N 1.13 0.75 -0.41 1.68 0.74 0.12 -1.46 119.66 122.22 3cgi s GLN 19 Ca 0.02 1.03 -0.12 0.00 0.05 0.00 0.00 55.36 56.33 3cgi s GLN 19 Cb -0.21 0.29 0.04 0.00 1.10 0.00 0.00 33.01 34.24 3cgi s GLN 19 CO -0.04 -0.12 0.27 0.08 -0.55 0.00 0.00 175.29 174.94 3cgi s VAL 20 N 0.81 4.81 -0.07 1.34 1.01 -0.07 -0.47 120.40 127.76 3cgi s VAL 20 Ca -0.04 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.09 3cgi s VAL 20 Cb -0.05 -3.75 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 3cgi s VAL 20 CO -0.06 -0.35 0.57 0.41 0.00 0.00 0.00 175.10 175.67 3cgi n THR 21 N 5.06 1.67 -4.55 3.92 -1.04 0.37 -2.12 114.28 117.58 3cgi n THR 21 Ca -0.11 -0.75 -0.21 0.00 -2.04 0.00 0.00 64.05 60.93 3cgi n THR 21 Cb 0.45 -1.27 -0.15 0.00 -1.82 0.00 0.00 70.33 67.55 3cgi n THR 21 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3cgi s LEU 22 N -6.40 2.02 -0.38 -4.42 1.43 -1.21 -4.73 118.68 104.97 3cgi s LEU 22 Ca -0.10 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 3cgi s LEU 22 Cb 0.08 -0.64 0.16 0.00 0.03 0.00 0.00 46.19 45.81 3cgi s LEU 22 CO 0.81 0.15 0.38 0.00 0.23 0.00 0.00 176.35 177.92 3cgi s ALA 23 N -0.27 -0.20 -0.07 4.21 0.00 -1.22 -1.97 121.76 122.24 3cgi s ALA 23 Ca 0.04 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3cgi s ALA 23 Cb -0.05 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3cgi s ALA 23 CO -0.00 -2.14 -0.17 -1.58 0.00 0.00 0.00 175.76 171.87 3cgi s HIS 24 N 1.19 1.80 -0.18 0.00 5.04 0.03 -1.71 115.29 121.47 3cgi s HIS 24 Ca 0.20 -0.65 -0.08 0.00 -1.54 0.00 0.00 55.06 52.99 3cgi s HIS 24 Cb -0.13 -1.25 -0.04 0.00 0.04 0.00 0.00 32.58 31.20 3cgi s HIS 24 CO -0.04 -0.28 0.07 -1.17 -2.34 0.00 0.00 174.74 170.98 3cgi s LEU 25 N 0.40 3.89 -0.28 8.88 2.96 0.14 -0.35 118.68 134.33 3cgi s LEU 25 Ca -0.13 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3cgi s LEU 25 Cb -0.15 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.63 3cgi s LEU 25 CO 0.05 0.20 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.60 3cgi s ILE 26 N 0.23 2.00 0.24 6.68 1.01 -0.26 -0.09 121.20 131.01 3cgi s ILE 26 Ca 0.05 -1.75 -0.01 0.00 0.00 0.00 0.00 60.65 58.94 3cgi s ILE 26 Cb -0.12 -2.27 0.05 0.00 0.01 0.00 0.00 42.46 40.13 3cgi s ILE 26 CO 0.00 -0.24 1.66 0.00 0.00 0.00 0.00 174.94 176.36 3cgi h ALA 27 N 7.78 0.97 -2.15 9.38 0.00 -1.48 -0.31 119.26 133.44 3cgi h ALA 27 Ca -0.14 -0.36 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 3cgi h ALA 27 Cb 1.04 -0.14 -0.35 0.00 0.00 0.00 0.00 17.79 18.34 3cgi h ALA 27 CO 0.47 0.60 -0.92 -1.71 0.00 0.00 0.00 179.25 177.69 3cgi n ASN 28 N -4.11 -0.85 -4.81 0.00 5.15 -1.26 -3.21 115.26 106.17 3cgi n ASN 28 Ca -0.00 -2.46 -0.32 0.00 -0.60 0.00 0.00 54.58 51.19 3cgi n ASN 28 Cb 0.43 -0.25 0.02 0.00 -0.53 0.00 0.00 39.78 39.45 3cgi n ASN 28 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3cgi s PRO 29 N 0.10 3.22 0.67 1.20 0.04 -1.26 -3.84 135.00 135.13 3cgi s PRO 29 Ca 0.33 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 3cgi s PRO 29 Cb 0.04 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3cgi s PRO 29 CO -0.18 -0.88 1.19 0.20 0.04 0.00 0.00 177.00 177.37 3cgi s GLY 30 N -3.15 2.45 0.23 0.56 0.00 -1.26 -4.87 107.32 101.29 3cgi s GLY 30 Ca 0.61 0.86 -0.07 0.00 0.00 0.00 0.00 44.72 46.12 3cgi s GLY 30 CO 0.43 1.25 1.91 1.70 0.00 0.00 0.00 173.10 178.38 3cgi h LYS 31 N 0.20 1.17 -0.57 2.90 3.64 -1.98 -1.97 116.57 119.96 3cgi h LYS 31 Ca -0.48 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 3cgi h LYS 31 Cb 1.29 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3cgi h LYS 31 CO 0.53 0.78 0.28 0.22 -2.27 0.00 0.00 179.45 178.98 3cgi h ASP 32 N 1.21 0.74 -0.31 4.20 3.58 -1.98 0.11 116.42 123.97 3cgi h ASP 32 Ca 0.34 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 3cgi h ASP 32 Cb -0.11 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 3cgi h ASP 32 CO -0.08 0.66 0.02 0.25 -2.88 0.00 0.00 179.24 177.21 3cgi h LEU 33 N 0.77 0.52 -0.77 2.28 5.85 -1.90 0.27 115.31 122.33 3cgi h LEU 33 Ca 0.20 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.66 3cgi h LEU 33 Cb 0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3cgi h LEU 33 CO -0.03 0.68 0.48 0.15 -0.34 0.00 0.00 178.44 179.39 3cgi h PHE 34 N 0.34 0.90 -0.16 1.25 3.57 -1.17 -0.80 116.94 120.87 3cgi h PHE 34 Ca 0.09 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3cgi h PHE 34 Cb 0.40 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3cgi h PHE 34 CO 0.03 0.51 -0.33 0.87 -2.23 0.00 0.00 178.31 177.16 3cgi h LYS 35 N 0.93 0.50 -0.08 1.11 1.57 -0.63 -2.80 116.57 117.17 3cgi h LYS 35 Ca 0.31 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3cgi h LYS 35 Cb 0.04 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3cgi h LYS 35 CO -0.12 0.94 0.14 0.87 -0.57 0.00 0.00 179.45 180.70 3cgi h LYS 36 N 0.13 0.00 -0.00 3.15 1.57 -0.07 0.21 116.57 121.56 3cgi h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cgi h LYS 36 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3cgi h LYS 36 CO 0.07 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.23 3cgi n LEU 37 N -3.51 0.02 -0.09 2.94 4.77 -0.34 -4.90 117.00 115.89 3cgi n LEU 37 Ca -0.01 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 3cgi n LEU 37 Cb 0.23 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3cgi n LEU 37 CO 0.24 0.00 -0.01 0.61 -1.33 0.00 0.00 177.39 176.90 3cgi n GLY 38 N 1.25 0.49 3.79 -0.72 0.00 0.75 -5.00 105.19 105.74 3cgi n GLY 38 Ca 0.15 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3cgi n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cgi s LEU 39 N -0.26 4.22 0.49 0.99 1.43 -1.07 -5.05 118.68 119.43 3cgi s LEU 39 Ca 0.00 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.02 3cgi s LEU 39 Cb 0.00 -4.15 0.01 0.00 0.03 0.00 0.00 46.19 42.07 3cgi s LEU 39 CO 0.00 -0.22 0.32 -1.10 0.23 0.00 0.00 176.35 175.57 3cgi s GLN 40 N -2.36 2.28 0.20 1.70 -0.21 -1.26 -4.64 119.66 115.36 3cgi s GLN 40 Ca 0.54 -1.94 0.00 0.00 0.02 0.00 0.00 55.36 53.98 3cgi s GLN 40 Cb -0.18 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.77 3cgi s GLN 40 CO 0.23 -0.42 0.00 -0.25 -2.12 0.00 0.00 175.29 172.72 3cgi n ASP 41 N -1.57 -4.63 -4.74 5.90 8.00 -1.26 -4.87 116.55 113.37 3cgi n ASP 41 Ca -0.02 0.36 -0.35 0.00 0.71 0.00 0.00 54.79 55.49 3cgi n ASP 41 Cb 0.64 -2.39 0.06 0.00 -0.02 0.00 0.00 41.12 39.42 3cgi n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cgi s ALA 42 N -1.86 2.35 0.29 2.24 0.00 -1.26 -4.93 121.76 118.60 3cgi s ALA 42 Ca 0.00 0.84 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 3cgi s ALA 42 Cb 0.00 -3.43 -0.14 0.00 0.00 0.00 0.00 23.12 19.56 3cgi s ALA 42 CO 0.00 -1.47 1.07 0.28 0.00 0.00 0.00 175.76 175.64 3cgi n VAL 43 N -2.24 1.95 -4.19 0.00 0.31 -1.26 -5.00 118.33 107.90 3cgi n VAL 43 Ca 0.13 -0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 63.82 3cgi n VAL 43 Cb 0.50 -1.10 -0.08 0.00 -0.91 0.00 0.00 33.84 32.26 3cgi n VAL 43 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3cgi s SER 44 N -0.49 0.78 0.63 4.52 1.04 -1.26 -5.08 113.70 113.83 3cgi s SER 44 Ca 0.59 -1.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 3cgi s SER 44 Cb -0.68 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 3cgi s SER 44 CO 0.60 -1.02 1.28 0.00 0.98 0.00 0.00 173.24 175.08 3cgi s ALA 45 N -3.72 2.45 0.07 5.32 0.00 -1.20 -4.46 121.76 120.22 3cgi s ALA 45 Ca 0.37 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.55 3cgi s ALA 45 Cb 0.03 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3cgi s ALA 45 CO 0.18 -1.49 -0.11 0.96 0.00 0.00 0.00 175.76 175.31 3cgi s ILE 46 N -1.42 0.86 -0.07 0.00 -4.36 -0.13 -3.13 121.20 112.95 3cgi s ILE 46 Ca 0.81 -1.29 0.05 0.00 -0.26 0.00 0.00 60.65 59.96 3cgi s ILE 46 Cb -0.36 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.38 3cgi s ILE 46 CO 0.39 -0.35 -0.24 -0.83 0.24 0.00 0.00 174.94 174.15 3cgi s GLY 47 N -1.82 1.33 -0.13 6.27 0.00 -0.21 -1.10 107.32 111.65 3cgi s GLY 47 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3cgi s GLY 47 CO 0.01 -0.56 -0.22 -0.42 0.00 0.00 0.00 173.10 171.91 3cgi s ILE 48 N -0.06 2.15 -0.05 0.90 1.09 0.53 -1.04 121.20 124.72 3cgi s ILE 48 Ca -0.06 -0.96 0.06 0.00 -1.10 0.00 0.00 60.65 58.58 3cgi s ILE 48 Cb -0.15 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.39 3cgi s ILE 48 CO 0.05 0.55 -0.23 -0.76 -0.10 0.00 0.00 174.94 174.44 3cgi s LEU 49 N 0.68 2.03 -0.21 2.97 1.43 -0.23 -0.79 118.68 124.56 3cgi s LEU 49 Ca -0.10 -0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3cgi s LEU 49 Cb -0.16 -1.26 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3cgi s LEU 49 CO 0.01 0.23 -0.13 -0.89 0.23 0.00 0.00 176.35 175.80 3cgi s THR 50 N -0.14 2.50 -0.03 5.49 2.01 -0.83 -2.12 115.64 122.51 3cgi s THR 50 Ca -0.03 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.06 3cgi s THR 50 Cb -0.13 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.24 3cgi s THR 50 CO 0.03 0.39 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.66 3cgi s ILE 51 N 1.32 0.58 -0.06 1.82 1.01 -1.20 -0.48 121.20 124.19 3cgi s ILE 51 Ca 0.03 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.50 3cgi s ILE 51 Cb -0.15 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.77 3cgi s ILE 51 CO -0.09 0.21 -0.15 -0.89 0.00 0.00 0.00 174.94 174.03 3cgi s THR 52 N 0.51 1.29 0.84 2.92 2.01 0.38 -3.97 115.64 119.62 3cgi s THR 52 Ca -0.07 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 3cgi s THR 52 Cb -0.11 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.35 3cgi s THR 52 CO 0.00 0.39 1.09 -2.16 -0.69 0.00 0.00 174.62 173.25 3cgi s PRO 53 N 0.44 1.74 0.38 4.92 0.04 -0.99 0.12 135.00 141.66 3cgi s PRO 53 Ca -0.12 1.06 0.13 0.00 0.04 0.00 0.00 61.00 62.11 3cgi s PRO 53 Cb -0.15 -1.85 0.75 0.00 0.04 0.00 0.00 34.50 33.30 3cgi s PRO 53 CO 0.04 -1.97 1.85 0.66 0.04 0.00 0.00 177.00 177.61 3cgi h SER 54 N -1.36 0.02 0.46 6.66 4.64 -1.81 -2.16 113.55 119.99 3cgi h SER 54 Ca -0.46 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3cgi h SER 54 Cb 1.25 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3cgi h SER 54 CO 0.52 0.35 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.39 3cgi h GLU 55 N 0.01 0.00 0.00 4.77 3.07 -1.90 -2.67 114.58 117.87 3cgi h GLU 55 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cgi h GLU 55 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3cgi h GLU 55 CO 0.04 0.11 0.00 0.00 -1.40 0.00 0.00 179.01 177.77 3cgi h ALA 56 N 1.89 1.00 -0.60 3.43 0.00 -1.74 -1.81 119.26 121.42 3cgi h ALA 56 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3cgi h ALA 56 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3cgi h ALA 56 CO 0.01 0.00 0.42 0.66 0.00 0.00 0.00 179.25 180.34 3cgi h SER 57 N 0.00 0.21 -0.49 0.00 4.64 -1.65 -0.65 113.55 115.61 3cgi h SER 57 Ca 0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3cgi h SER 57 Cb 0.10 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 3cgi h SER 57 CO 0.00 0.12 -0.06 0.40 -0.87 0.00 0.00 176.83 176.42 3cgi h ILE 58 N 0.23 1.27 -0.26 0.95 2.04 -1.56 -0.59 117.51 119.59 3cgi h ILE 58 Ca 0.29 -1.17 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 3cgi h ILE 58 Cb 0.82 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3cgi h ILE 58 CO -0.06 0.41 -0.17 0.40 0.00 0.00 0.00 178.15 178.73 3cgi h ILE 59 N 0.77 1.30 -0.71 -0.67 2.04 -1.52 -2.34 117.51 116.38 3cgi h ILE 59 Ca 0.13 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.74 3cgi h ILE 59 Cb 0.59 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3cgi h ILE 59 CO 0.04 0.40 0.45 0.00 0.00 0.00 0.00 178.15 179.04 3cgi h ALA 60 N 0.72 0.93 -0.30 1.87 0.00 -1.10 -1.03 119.26 120.34 3cgi h ALA 60 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3cgi h ALA 60 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3cgi h ALA 60 CO 0.05 0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.72 3cgi h ASP 62 N 0.39 0.06 -0.40 0.00 3.58 -1.07 0.20 116.42 119.18 3cgi h ASP 62 Ca 0.11 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3cgi h ASP 62 Cb -0.03 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3cgi h ASP 62 CO -0.04 0.06 0.26 0.40 -2.88 0.00 0.00 179.24 177.04 3cgi h ILE 63 N 0.14 1.10 -0.13 2.25 2.04 -1.04 -1.79 117.51 120.08 3cgi h ILE 63 Ca 0.08 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3cgi h ILE 63 Cb 0.06 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3cgi h ILE 63 CO -0.09 0.10 0.07 0.00 0.00 0.00 0.00 178.15 178.23 3cgi h ALA 64 N 1.14 0.17 0.00 1.87 0.00 -0.71 -1.80 119.26 119.93 3cgi h ALA 64 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3cgi h ALA 64 Cb -0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3cgi h ALA 64 CO -0.03 -0.28 -0.31 1.79 0.00 0.00 0.00 179.25 180.42 3cgi h THR 65 N 0.09 0.84 0.00 0.00 1.35 -0.90 -2.47 112.91 111.83 3cgi h THR 65 Ca 0.05 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3cgi h THR 65 Cb 0.11 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3cgi h THR 65 CO -0.01 0.30 -0.11 0.11 -0.25 0.00 0.00 175.52 175.56 3cgi h LYS 66 N 0.00 0.00 0.00 4.72 1.57 -1.16 -3.31 116.57 118.38 3cgi h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3cgi h LYS 66 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3cgi h LYS 66 CO 0.04 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 3cgi h SER 67 N 0.00 0.00 0.00 0.86 4.64 -0.83 -3.49 113.55 114.73 3cgi h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cgi h SER 67 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3cgi h SER 67 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cgi n GLY 68 N 0.35 -0.50 2.62 -0.77 0.00 -1.25 -4.90 105.19 100.74 3cgi n GLY 68 Ca 0.02 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3cgi n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgi n ALA 69 N 0.00 6.14 -2.46 4.61 0.00 -1.26 -4.75 120.51 122.79 3cgi n ALA 69 Ca 0.00 -3.82 -0.26 0.00 0.00 0.00 0.00 53.44 49.36 3cgi n ALA 69 Cb 0.00 -3.44 -0.15 0.00 0.00 0.00 0.00 19.45 15.86 3cgi n ALA 69 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cgi s VAL 70 N 2.60 1.54 0.27 0.00 1.01 -1.26 -4.36 120.40 120.21 3cgi s VAL 70 Ca 0.53 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3cgi s VAL 70 Cb 0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3cgi s VAL 70 CO -0.08 0.41 0.04 -1.61 0.00 0.00 0.00 175.10 173.87 3cgi s GLU 71 N -0.53 2.41 -0.43 2.72 2.02 0.33 -4.57 118.70 120.65 3cgi s GLU 71 Ca 0.07 -1.37 -0.26 0.00 0.02 0.00 0.00 54.97 53.44 3cgi s GLU 71 Cb -0.08 -2.23 0.02 0.00 0.10 0.00 0.00 34.13 31.95 3cgi s GLU 71 CO -0.01 0.35 0.93 0.42 0.02 0.00 0.00 175.26 176.98 3cgi s ILE 72 N -2.30 4.49 -0.00 -1.63 1.01 -1.26 -0.93 121.20 120.58 3cgi s ILE 72 Ca 0.32 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 61.63 3cgi s ILE 72 Cb -0.06 -4.41 -0.15 0.00 0.01 0.00 0.00 42.46 37.85 3cgi s ILE 72 CO 0.21 -0.76 1.09 1.23 0.00 0.00 0.00 174.94 176.72 3cgi h GLY 73 N 10.45 -0.61 -3.20 6.18 0.00 0.02 -3.47 103.07 112.44 3cgi h GLY 73 Ca -0.24 0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3cgi h GLY 73 CO 1.02 -0.22 0.18 -0.11 0.00 0.00 0.00 176.54 177.41 3cgi s PHE 74 N -4.41 -0.53 -0.02 5.60 -0.71 -0.93 -4.93 117.98 112.04 3cgi s PHE 74 Ca -0.13 0.44 0.06 0.00 -1.04 0.00 0.00 56.93 56.26 3cgi s PHE 74 Cb 0.02 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.32 3cgi s PHE 74 CO 0.46 -0.79 -0.20 -1.17 -1.34 0.00 0.00 175.22 172.19 3cgi s LEU 75 N -2.46 2.02 -0.38 -1.99 2.96 -1.26 -1.36 118.68 116.21 3cgi s LEU 75 Ca -0.01 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3cgi s LEU 75 Cb -0.01 -1.03 0.12 0.00 0.50 0.00 0.00 46.19 45.77 3cgi s LEU 75 CO -0.09 0.23 0.17 -0.62 -1.32 0.00 0.00 176.35 174.72 3cgi s ASP 76 N -0.36 3.86 0.22 3.68 -1.08 -0.24 -4.97 116.67 117.77 3cgi s ASP 76 Ca 0.05 -2.17 0.21 0.00 -0.52 0.00 0.00 52.55 50.13 3cgi s ASP 76 Cb -0.09 -0.98 0.92 0.00 -1.46 0.00 0.00 42.92 41.31 3cgi s ASP 76 CO -0.00 -0.34 1.65 -2.11 0.52 0.00 0.00 175.17 174.89 3cgi n ARG 77 N 4.16 0.15 0.13 4.34 1.85 -1.26 0.13 116.66 126.16 3cgi n ARG 77 Ca 0.04 0.41 -0.23 0.00 -1.00 0.00 0.00 57.85 57.08 3cgi n ARG 77 Cb 0.38 -1.81 -0.15 0.00 -1.05 0.00 0.00 32.46 29.83 3cgi n ARG 77 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3cgi h PHE 78 N 0.00 0.93 0.00 2.89 -1.00 -1.93 -3.31 116.94 114.52 3cgi h PHE 78 Ca 0.00 -0.65 -0.11 0.00 2.81 0.00 0.00 57.97 60.02 3cgi h PHE 78 Cb 0.31 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3cgi h PHE 78 CO 0.00 1.50 -1.84 0.25 -1.61 0.00 0.00 178.31 176.61 3cgi n THR 79 N -3.72 0.40 -0.09 -1.55 -2.24 -1.03 -4.87 114.28 101.18 3cgi n THR 79 Ca -0.15 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3cgi n THR 79 Cb 1.06 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3cgi n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgi n GLY 80 N 1.79 0.51 3.76 3.38 0.00 0.35 -4.70 105.19 110.28 3cgi n GLY 80 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3cgi n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgi s ALA 81 N -2.20 3.42 -0.04 4.61 0.00 -1.14 -3.24 121.76 123.16 3cgi s ALA 81 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 51.96 52.91 3cgi s ALA 81 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3cgi s ALA 81 CO 0.00 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 3cgi s VAL 82 N -1.00 0.68 -0.20 0.00 1.01 -0.90 -1.08 120.40 118.91 3cgi s VAL 82 Ca 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 3cgi s VAL 82 Cb -0.33 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.41 3cgi s VAL 82 CO 0.41 0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.92 3cgi s VAL 83 N 0.68 2.40 -0.02 2.92 1.01 -0.47 -1.07 120.40 125.85 3cgi s VAL 83 Ca -0.10 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3cgi s VAL 83 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3cgi s VAL 83 CO 0.01 0.47 0.16 -0.76 0.00 0.00 0.00 175.10 174.98 3cgi s LEU 84 N 1.33 4.27 0.11 3.92 1.43 -0.21 0.74 118.68 130.28 3cgi s LEU 84 Ca 0.04 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3cgi s LEU 84 Cb -0.14 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3cgi s LEU 84 CO -0.10 0.29 -0.17 0.42 0.23 0.00 0.00 176.35 177.02 3cgi s THR 85 N -1.26 1.44 -5.00 5.49 -4.23 -0.11 -1.05 115.64 110.93 3cgi s THR 85 Ca 0.25 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3cgi s THR 85 Cb -0.12 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.26 3cgi s THR 85 CO 0.16 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3cgi n GLY 86 N 0.86 -0.49 3.76 3.99 0.00 -1.18 -0.51 105.19 111.61 3cgi n GLY 86 Ca -0.18 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 3cgi n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cgi s ASP 87 N -4.00 5.89 0.26 1.61 2.15 -1.26 -3.43 116.67 117.89 3cgi s ASP 87 Ca 0.00 2.80 -0.02 0.00 0.43 0.00 0.00 52.55 55.76 3cgi s ASP 87 Cb 0.00 -2.64 0.54 0.00 -0.30 0.00 0.00 42.92 40.51 3cgi s ASP 87 CO 0.00 -1.15 1.73 1.62 -0.17 0.00 0.00 175.17 177.20 3cgi h VAL 88 N 2.17 0.63 -0.18 1.11 3.04 -1.91 -0.51 116.25 120.59 3cgi h VAL 88 Ca -0.50 -0.16 -0.17 0.00 -1.01 0.00 0.00 66.70 64.85 3cgi h VAL 88 Cb 1.27 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 3cgi h VAL 88 CO 0.61 0.09 -0.57 0.28 -1.01 0.00 0.00 177.57 176.96 3cgi h SER 89 N 0.48 0.65 -0.30 3.17 0.02 -1.99 -1.80 113.55 113.78 3cgi h SER 89 Ca 0.46 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3cgi h SER 89 Cb 0.73 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3cgi h SER 89 CO -0.42 1.08 0.07 0.00 -1.14 0.00 0.00 176.83 176.42 3cgi h ALA 90 N 0.93 0.39 -0.64 3.77 0.00 -1.71 -1.58 119.26 120.43 3cgi h ALA 90 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3cgi h ALA 90 Cb 1.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3cgi h ALA 90 CO 0.11 0.06 0.14 0.28 0.00 0.00 0.00 179.25 179.84 3cgi h VAL 91 N 0.32 1.26 -0.49 0.00 2.07 -1.07 -0.12 116.25 118.21 3cgi h VAL 91 Ca 0.09 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3cgi h VAL 91 Cb 0.30 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3cgi h VAL 91 CO 0.00 0.36 0.25 -0.08 0.02 0.00 0.00 177.57 178.12 3cgi h GLU 92 N 0.96 0.70 -0.37 1.57 4.81 -1.24 -1.15 114.58 119.85 3cgi h GLU 92 Ca 0.20 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3cgi h GLU 92 Cb 0.38 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3cgi h GLU 92 CO 0.00 0.57 0.18 -0.92 -0.73 0.00 0.00 179.01 178.12 3cgi h TYR 93 N 0.65 0.53 -0.66 0.92 3.20 -0.96 -2.12 116.97 118.54 3cgi h TYR 93 Ca 0.17 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.11 3cgi h TYR 93 Cb 0.09 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.12 3cgi h TYR 93 CO -0.01 0.45 0.29 0.00 -1.64 0.00 0.00 178.16 177.24 3cgi h ALA 94 N 1.04 0.89 -0.63 1.82 0.00 -0.75 -0.64 119.26 121.00 3cgi h ALA 94 Ca 0.13 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3cgi h ALA 94 Cb 0.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3cgi h ALA 94 CO -0.02 -0.13 0.10 -0.07 0.00 0.00 0.00 179.25 179.14 3cgi h LEU 95 N 0.49 0.97 -0.64 0.00 3.38 -0.99 -1.62 115.31 116.90 3cgi h LEU 95 Ca 0.33 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3cgi h LEU 95 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3cgi h LEU 95 CO -0.30 0.97 0.07 0.11 0.09 0.00 0.00 178.44 179.38 3cgi h LYS 96 N 0.96 1.09 -0.30 1.13 1.57 -0.85 -2.49 116.57 117.68 3cgi h LYS 96 Ca 0.19 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3cgi h LYS 96 Cb 0.41 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3cgi h LYS 96 CO 0.01 1.02 -0.34 1.96 -0.57 0.00 0.00 179.45 181.53 3cgi h GLN 97 N 1.00 0.68 0.40 3.15 1.08 -0.92 -0.60 115.11 119.90 3cgi h GLN 97 Ca 0.19 -0.32 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3cgi h GLN 97 Cb 0.48 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3cgi h GLN 97 CO 0.02 0.92 -0.22 0.28 -0.95 0.00 0.00 178.83 178.88 3cgi h VAL 98 N 0.57 0.55 -0.66 -0.54 2.07 -1.16 0.95 116.25 118.02 3cgi h VAL 98 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3cgi h VAL 98 Cb 0.86 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3cgi h VAL 98 CO 0.07 0.00 0.21 0.71 0.02 0.00 0.00 177.57 178.59 3cgi h THR 99 N -0.57 1.25 -0.07 2.57 1.35 -1.44 -0.06 112.91 115.94 3cgi h THR 99 Ca -0.05 -0.85 0.01 0.00 -0.55 0.00 0.00 66.41 64.97 3cgi h THR 99 Cb 0.46 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 3cgi h THR 99 CO 0.07 0.33 0.02 -0.09 -0.25 0.00 0.00 175.52 175.60 3cgi h ARG 100 N 0.96 0.05 0.05 4.72 2.43 -1.02 -0.88 114.38 120.69 3cgi h ARG 100 Ca 0.21 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3cgi h ARG 100 Cb 0.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3cgi h ARG 100 CO -0.01 0.04 -0.02 1.15 -1.51 0.00 0.00 179.97 179.62 3cgi h THR 101 N 0.06 1.30 -0.85 0.20 2.02 -0.69 -1.26 112.91 113.69 3cgi h THR 101 Ca 0.03 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.96 3cgi h THR 101 Cb 0.02 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3cgi h THR 101 CO -0.03 0.31 0.53 -0.07 0.37 0.00 0.00 175.52 176.63 3cgi h LEU 102 N -0.62 1.00 0.08 2.58 3.38 -1.07 -1.41 115.31 119.26 3cgi h LEU 102 Ca -0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3cgi h LEU 102 Cb 0.55 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3cgi h LEU 102 CO 0.01 0.75 -0.04 1.23 0.09 0.00 0.00 178.44 180.48 3cgi h GLY 103 N 1.16 -0.12 1.27 0.83 0.00 -1.19 -2.13 103.07 102.90 3cgi h GLY 103 Ca 0.31 0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.41 3cgi h GLY 103 CO -0.06 -0.04 -1.11 0.83 0.00 0.00 0.00 176.54 176.16 3cgi h GLU 104 N -0.61 0.63 0.00 4.80 5.08 -1.23 -2.77 114.58 120.47 3cgi h GLU 104 Ca -0.01 -0.74 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 3cgi h GLU 104 Cb 0.50 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3cgi h GLU 104 CO 0.02 1.32 -1.73 -1.33 -1.00 0.00 0.00 179.01 176.29 3cgi n MET 105 N -3.81 0.53 -0.04 2.33 2.81 -0.53 -4.41 117.12 113.99 3cgi n MET 105 Ca -0.11 -0.14 0.01 0.00 -1.81 0.00 0.00 57.70 55.65 3cgi n MET 105 Cb 0.92 -1.54 0.02 0.00 -0.71 0.00 0.00 33.22 31.91 3cgi n MET 105 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3cgi n MET 106 N -2.14 1.82 -2.52 0.03 2.81 -0.88 -5.02 117.12 111.21 3cgi n MET 106 Ca -0.02 -1.38 -0.18 0.00 -1.81 0.00 0.00 57.70 54.31 3cgi n MET 106 Cb 0.52 -0.92 -0.00 0.00 -0.71 0.00 0.00 33.22 32.11 3cgi n MET 106 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3cgi n GLN 107 N -0.48 -2.29 -2.47 0.03 1.13 -1.03 -4.92 117.38 107.34 3cgi n GLN 107 Ca 0.02 0.82 -0.37 0.00 -1.94 0.00 0.00 57.00 55.53 3cgi n GLN 107 Cb 0.40 -5.48 -0.04 0.00 0.11 0.00 0.00 30.24 25.23 3cgi n GLN 107 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3cgi s PHE 108 N -2.89 3.27 0.18 1.08 0.40 -0.85 -4.95 117.98 114.20 3cgi s PHE 108 Ca 0.05 1.63 -0.30 0.00 -0.60 0.00 0.00 56.93 57.71 3cgi s PHE 108 Cb -0.02 -3.21 -0.08 0.00 0.51 0.00 0.00 43.02 40.21 3cgi s PHE 108 CO 0.06 -0.77 1.26 0.99 0.70 0.00 0.00 175.22 177.46 3cgi s THR 109 N -1.53 3.42 0.08 0.64 2.01 -0.53 -4.21 115.64 115.52 3cgi s THR 109 Ca 0.56 1.15 0.06 0.00 0.31 0.00 0.00 61.69 63.77 3cgi s THR 109 Cb -0.25 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3cgi s THR 109 CO 0.32 0.16 -0.16 0.42 -0.69 0.00 0.00 174.62 174.67 3cgi s THR 110 N 0.20 1.31 0.55 -0.82 -4.23 -1.26 -0.89 115.64 110.49 3cgi s THR 110 Ca 0.56 -1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 3cgi s THR 110 Cb -0.34 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.29 3cgi s THR 110 CO 0.36 -0.15 0.81 0.00 -0.54 0.00 0.00 174.62 175.10 3cgi s SER 112 N -4.34 5.93 0.07 0.00 0.01 -1.26 -4.93 113.70 109.18 3cgi s SER 112 Ca 0.54 1.60 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 3cgi s SER 112 Cb -0.10 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 3cgi s SER 112 CO 0.41 -1.07 1.03 -0.63 0.41 0.00 0.00 173.24 173.38 3cgi s ILE 113 N -2.87 4.49 0.24 1.44 -1.09 -1.26 -4.50 121.20 117.65 3cgi s ILE 113 Ca 0.59 1.91 0.10 0.00 -2.23 0.00 0.00 60.65 61.02 3cgi s ILE 113 Cb -0.13 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3cgi s ILE 113 CO 0.46 0.22 -0.10 0.42 -1.23 0.00 0.00 174.94 174.71 3cgi s THR 114 N 0.54 3.03 -0.01 2.92 -4.23 -0.69 -5.03 115.64 112.16 3cgi s THR 114 Ca 0.51 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 3cgi s THR 114 Cb -0.24 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.04 3cgi s THR 114 CO 0.30 -0.29 0.24 -0.13 -0.54 0.00 0.00 174.62 174.20 3cgi s ARG 115 N -3.32 0.57 -0.26 3.99 0.52 -1.26 -0.68 118.95 118.51 3cgi s ARG 115 Ca 0.28 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.25 3cgi s ARG 115 Cb -0.07 0.25 0.08 0.00 0.52 0.00 0.00 34.95 35.73 3cgi s ARG 115 CO 0.16 -0.15 0.04 0.99 0.02 0.00 0.00 175.30 176.37 3cgi s THR 116 N -1.26 1.03 -2.71 0.02 2.01 0.87 -4.94 115.64 110.66 3cgi s THR 116 Ca -0.13 -1.18 0.24 0.00 0.31 0.00 0.00 61.69 60.93 3cgi s THR 116 Cb -0.06 -1.59 0.33 0.00 0.01 0.00 0.00 72.50 71.19 3cgi s THR 116 CO 0.03 -0.40 1.35 0.18 -0.69 0.00 0.00 174.62 175.09 3cgi n LEU 117 N 4.82 3.18 -4.80 4.42 4.77 -1.26 -1.33 117.00 126.80 3cgi n LEU 117 Ca -0.06 -1.23 -0.33 0.00 -0.03 0.00 0.00 56.01 54.35 3cgi n LEU 117 Cb 0.44 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3cgi n LEU 117 CO 0.14 0.62 0.72 -1.61 -1.33 0.00 0.00 177.39 175.93 3cgi s GLU 118 N -1.74 3.48 0.28 3.23 0.41 -1.26 -4.75 118.70 118.35 3cgi s GLU 118 Ca 0.34 1.28 -0.29 0.00 -0.41 0.00 0.00 54.97 55.89 3cgi s GLU 118 Cb 0.21 -2.05 -0.10 0.00 -1.78 0.00 0.00 34.13 30.42 3cgi s GLU 118 CO 0.31 -0.69 1.16 -1.58 -0.49 0.00 0.00 175.26 173.97 3cgi s HIS 119 N -2.25 3.44 -0.73 1.61 5.65 -1.26 -4.29 115.29 117.46 3cgi s HIS 119 Ca 0.65 1.61 -0.26 0.00 0.25 0.00 0.00 55.06 57.31 3cgi s HIS 119 Cb -0.17 -3.39 0.04 0.00 -1.18 0.00 0.00 32.58 27.88 3cgi s HIS 119 CO 0.31 -0.92 1.23 -1.58 -0.65 0.00 0.00 174.74 173.13 3cgi s HIS 120 N -1.05 2.34 -0.23 3.88 2.46 -1.25 -4.95 115.29 116.49 3cgi s HIS 120 Ca 0.46 -0.12 -0.29 0.00 0.47 0.00 0.00 55.06 55.59 3cgi s HIS 120 Cb -0.34 -4.58 -0.04 0.00 -0.13 0.00 0.00 32.58 27.50 3cgi s HIS 120 CO 0.43 -2.01 1.85 -1.01 -2.47 0.00 0.00 174.74 171.54 3cgi s HIS 121 N 5.49 1.70 -2.00 3.88 3.76 -1.26 -5.00 115.29 121.86 3cgi s HIS 121 Ca 0.33 0.46 0.27 0.00 -0.15 0.00 0.00 55.06 55.97 3cgi s HIS 121 Cb -0.09 -4.05 1.62 0.00 1.11 0.00 0.00 32.58 31.17 3cgi s HIS 121 CO 0.14 -3.49 1.97 1.58 -0.85 0.00 0.00 174.74 174.09