#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgi s PRO 5 N 0.00 3.08 0.34 -1.09 0.02 -1.26 -4.98 135.00 131.12 3cgi s PRO 5 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.16 3cgi s PRO 5 Cb 0.00 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 3cgi s PRO 5 CO 0.00 -1.03 1.49 0.99 -0.33 0.00 0.00 177.00 178.11 3cgi s THR 6 N -2.18 2.18 -0.13 0.99 2.01 -1.26 -4.95 115.64 112.31 3cgi s THR 6 Ca 0.68 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 3cgi s THR 6 Cb -0.21 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 3cgi s THR 6 CO 0.36 0.04 -0.13 1.07 -0.69 0.00 0.00 174.62 175.26 3cgi n THR 7 N 1.04 0.74 -1.85 -0.82 5.66 -1.26 -5.01 114.28 112.79 3cgi n THR 7 Ca 0.03 -0.26 -0.42 0.00 -3.05 0.00 0.00 64.05 60.36 3cgi n THR 7 Cb 0.39 -1.15 -0.02 0.00 -1.55 0.00 0.00 70.33 68.00 3cgi n THR 7 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3cgi s ASP 8 N -5.51 6.46 -0.11 1.09 1.01 -1.26 -4.99 116.67 113.37 3cgi s ASP 8 Ca -0.18 2.83 -0.10 0.00 0.71 0.00 0.00 52.55 55.82 3cgi s ASP 8 Cb 0.05 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.39 3cgi s ASP 8 CO 0.28 -0.86 0.28 -0.60 0.21 0.00 0.00 175.17 174.48 3cgi s ARG 9 N -0.08 0.33 0.02 8.23 3.52 -1.26 -5.17 118.95 124.55 3cgi s ARG 9 Ca 0.64 0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 56.54 3cgi s ARG 9 Cb -0.46 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.09 3cgi s ARG 9 CO 0.43 -0.04 0.20 -1.64 -0.81 0.00 0.00 175.30 173.44 3cgi s MET 10 N 0.16 0.64 -0.07 5.12 -1.94 -1.26 -5.14 119.30 116.81 3cgi s MET 10 Ca -0.00 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.26 3cgi s MET 10 Cb -0.02 0.27 -0.04 0.00 2.01 0.00 0.00 34.83 37.05 3cgi s MET 10 CO 0.00 -0.18 0.62 0.42 -0.01 0.00 0.00 175.02 175.88 3cgi s ILE 11 N -2.06 5.06 -0.25 2.53 1.01 -1.26 -5.06 121.20 121.17 3cgi s ILE 11 Ca -0.09 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.81 3cgi s ILE 11 Cb -0.03 -3.96 0.02 0.00 0.01 0.00 0.00 42.46 38.50 3cgi s ILE 11 CO -0.01 0.30 -0.05 0.00 0.00 0.00 0.00 174.94 175.18 3cgi s GLN 12 N 0.56 2.93 -0.38 2.79 -2.07 -1.26 -5.07 119.66 117.17 3cgi s GLN 12 Ca 0.33 -0.92 -0.23 0.00 -1.82 0.00 0.00 55.36 52.72 3cgi s GLN 12 Cb -0.17 -3.00 0.01 0.00 -1.09 0.00 0.00 33.01 28.76 3cgi s GLN 12 CO 0.16 -0.37 0.80 -1.21 -1.32 0.00 0.00 175.29 173.35 3cgi s GLU 13 N 1.36 3.69 0.06 9.60 2.02 -1.26 -5.03 118.70 129.15 3cgi s GLU 13 Ca 0.01 0.26 -0.21 0.00 0.02 0.00 0.00 54.97 55.05 3cgi s GLU 13 Cb -0.16 -3.84 -0.06 0.00 0.10 0.00 0.00 34.13 30.17 3cgi s GLU 13 CO -0.04 -0.92 0.64 1.52 0.02 0.00 0.00 175.26 176.48 3cgi s TYR 14 N 3.19 3.78 -0.03 1.61 1.13 -1.26 -5.06 117.35 120.72 3cgi s TYR 14 Ca 0.32 1.34 -0.12 0.00 -1.41 0.00 0.00 57.07 57.20 3cgi s TYR 14 Cb -0.13 -2.62 0.02 0.00 -1.10 0.00 0.00 41.96 38.14 3cgi s TYR 14 CO 0.18 0.47 0.27 0.14 -2.51 0.00 0.00 175.55 174.10 3cgi s VAL 15 N -0.72 0.05 0.35 -3.49 -7.23 -1.26 -5.15 120.40 102.96 3cgi s VAL 15 Ca 0.32 -0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 59.79 3cgi s VAL 15 Cb -0.20 -0.53 -0.09 0.00 0.56 0.00 0.00 36.38 36.11 3cgi s VAL 15 CO 0.20 -0.24 1.20 -2.16 -0.31 0.00 0.00 175.10 173.79 3cgi s PRO 16 N -1.05 4.27 0.98 4.82 0.04 -1.26 -5.04 135.00 137.75 3cgi s PRO 16 Ca -0.11 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3cgi s PRO 16 Cb -0.05 -2.90 0.19 0.00 0.04 0.00 0.00 34.50 31.78 3cgi s PRO 16 CO 0.03 -0.17 1.25 0.20 0.04 0.00 0.00 177.00 178.35 3cgi s GLY 17 N -0.89 1.70 -0.33 0.56 0.00 -1.26 -4.88 107.32 102.22 3cgi s GLY 17 Ca 0.52 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 3cgi s GLY 17 CO 0.43 -0.28 0.04 0.54 0.00 0.00 0.00 173.10 173.84 3cgi s LYS 18 N -5.70 2.20 -0.22 2.90 1.02 -1.26 -2.54 119.74 116.15 3cgi s LYS 18 Ca 0.71 -1.48 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 3cgi s LYS 18 Cb -0.07 -3.25 0.06 0.00 -0.52 0.00 0.00 37.83 34.05 3cgi s LYS 18 CO 0.53 -0.76 0.56 -1.14 -0.92 0.00 0.00 175.35 173.62 3cgi s GLN 19 N 1.17 0.62 -0.43 1.68 0.74 0.91 -1.47 119.66 122.89 3cgi s GLN 19 Ca -0.00 0.87 -0.15 0.00 0.05 0.00 0.00 55.36 56.13 3cgi s GLN 19 Cb -0.20 0.22 0.04 0.00 1.10 0.00 0.00 33.01 34.17 3cgi s GLN 19 CO -0.03 -0.11 0.32 0.08 -0.55 0.00 0.00 175.29 175.01 3cgi s VAL 20 N 0.75 5.18 -0.05 1.34 1.01 0.25 -0.16 120.40 128.72 3cgi s VAL 20 Ca -0.04 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3cgi s VAL 20 Cb -0.05 -3.96 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 3cgi s VAL 20 CO -0.06 -0.39 0.62 0.74 0.00 0.00 0.00 175.10 176.01 3cgi h THR 21 N 5.70 0.83 -3.84 3.92 2.02 -1.18 -2.49 112.91 117.86 3cgi h THR 21 Ca -0.27 -2.64 -0.41 0.00 0.77 0.00 0.00 66.41 63.86 3cgi h THR 21 Cb 1.11 2.47 -0.30 0.00 -1.74 0.00 0.00 68.15 69.69 3cgi h THR 21 CO 0.77 0.61 -0.78 -0.22 0.37 0.00 0.00 175.52 176.28 3cgi s LEU 22 N -6.38 1.81 -0.40 2.58 2.96 -1.22 -4.73 118.68 113.31 3cgi s LEU 22 Ca -0.09 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 3cgi s LEU 22 Cb 0.08 -0.49 0.16 0.00 0.50 0.00 0.00 46.19 46.44 3cgi s LEU 22 CO 0.81 0.06 0.39 0.00 -1.32 0.00 0.00 176.35 176.29 3cgi s ALA 23 N 0.14 0.18 -0.10 5.97 0.00 -1.23 -1.88 121.76 124.84 3cgi s ALA 23 Ca -0.02 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.42 3cgi s ALA 23 Cb -0.07 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.14 3cgi s ALA 23 CO 0.00 -2.10 -0.19 -1.58 0.00 0.00 0.00 175.76 171.89 3cgi s HIS 24 N 0.83 2.21 -0.16 0.00 5.04 0.02 -1.46 115.29 121.76 3cgi s HIS 24 Ca 0.24 -0.95 -0.13 0.00 -1.54 0.00 0.00 55.06 52.69 3cgi s HIS 24 Cb -0.08 -1.52 -0.05 0.00 0.04 0.00 0.00 32.58 30.97 3cgi s HIS 24 CO -0.08 -0.42 0.26 -1.17 -2.34 0.00 0.00 174.74 170.98 3cgi s LEU 25 N 0.61 4.25 -0.28 8.88 2.96 0.08 -0.38 118.68 134.80 3cgi s LEU 25 Ca -0.14 0.47 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3cgi s LEU 25 Cb -0.17 -2.31 0.07 0.00 0.50 0.00 0.00 46.19 44.29 3cgi s LEU 25 CO 0.04 0.14 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.52 3cgi s ILE 26 N 0.30 2.15 0.31 6.68 1.01 -0.14 0.27 121.20 131.78 3cgi s ILE 26 Ca 0.15 -1.80 0.08 0.00 0.00 0.00 0.00 60.65 59.08 3cgi s ILE 26 Cb -0.13 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 40.03 3cgi s ILE 26 CO 0.03 -0.19 1.71 0.00 0.00 0.00 0.00 174.94 176.50 3cgi h ALA 27 N 7.74 1.14 -1.85 9.38 0.00 -1.21 -0.67 119.26 133.79 3cgi h ALA 27 Ca -0.15 -0.41 -0.46 0.00 0.00 0.00 0.00 54.91 53.89 3cgi h ALA 27 Cb 1.04 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.43 3cgi h ALA 27 CO 0.47 0.58 -0.84 -1.71 0.00 0.00 0.00 179.25 177.75 3cgi n ASN 28 N -4.02 -1.31 -4.78 0.00 4.05 -1.26 -3.34 115.26 104.60 3cgi n ASN 28 Ca -0.02 -2.59 -0.34 0.00 0.45 0.00 0.00 54.58 52.08 3cgi n ASN 28 Cb 0.48 0.15 0.02 0.00 1.23 0.00 0.00 39.78 41.66 3cgi n ASN 28 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3cgi s PRO 29 N 0.16 3.09 0.63 1.20 0.04 -1.26 -3.95 135.00 134.91 3cgi s PRO 29 Ca 0.32 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3cgi s PRO 29 Cb 0.05 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 3cgi s PRO 29 CO -0.15 -1.03 1.20 0.20 0.04 0.00 0.00 177.00 177.26 3cgi s GLY 30 N -2.31 2.59 0.28 0.56 0.00 -1.26 -4.86 107.32 102.32 3cgi s GLY 30 Ca 0.68 0.93 -0.01 0.00 0.00 0.00 0.00 44.72 46.33 3cgi s GLY 30 CO 0.35 1.33 1.91 1.70 0.00 0.00 0.00 173.10 178.39 3cgi h LYS 31 N 0.52 1.09 -0.36 2.90 3.64 -1.98 -2.05 116.57 120.32 3cgi h LYS 31 Ca -0.49 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 58.72 3cgi h LYS 31 Cb 1.29 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 3cgi h LYS 31 CO 0.54 0.72 -0.18 0.22 -2.27 0.00 0.00 179.45 178.48 3cgi h ASP 32 N 1.12 0.79 -0.41 4.20 3.58 -1.99 -1.25 116.42 122.46 3cgi h ASP 32 Ca 0.40 -0.41 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3cgi h ASP 32 Cb 0.12 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 3cgi h ASP 32 CO -0.14 1.02 0.22 0.25 -2.88 0.00 0.00 179.24 177.71 3cgi h LEU 33 N 0.56 0.53 -0.44 2.28 5.85 -1.90 0.34 115.31 122.52 3cgi h LEU 33 Ca 0.08 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.76 3cgi h LEU 33 Cb 0.72 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 3cgi h LEU 33 CO 0.05 0.48 0.12 0.15 -0.34 0.00 0.00 178.44 178.90 3cgi h PHE 34 N 0.53 0.20 -0.31 1.25 3.57 -1.22 -0.35 116.94 120.62 3cgi h PHE 34 Ca 0.14 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 3cgi h PHE 34 Cb 0.07 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3cgi h PHE 34 CO -0.02 0.05 -0.33 0.87 -2.23 0.00 0.00 178.31 176.64 3cgi h LYS 35 N 0.27 0.78 0.00 1.11 1.57 -1.05 -2.70 116.57 116.54 3cgi h LYS 35 Ca 0.21 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3cgi h LYS 35 Cb 0.24 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3cgi h LYS 35 CO -0.25 1.05 -0.00 0.87 -0.57 0.00 0.00 179.45 180.55 3cgi h LYS 36 N 0.54 0.00 -0.00 3.15 1.57 0.20 0.27 116.57 122.31 3cgi h LYS 36 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3cgi h LYS 36 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3cgi h LYS 36 CO 0.08 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.24 3cgi n LEU 37 N -3.61 0.04 -0.11 2.94 4.77 -0.19 -4.91 117.00 115.93 3cgi n LEU 37 Ca -0.03 0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 3cgi n LEU 37 Cb 0.08 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3cgi n LEU 37 CO 0.25 0.01 -0.01 0.61 -1.33 0.00 0.00 177.39 176.92 3cgi n GLY 38 N 1.21 0.51 3.78 -0.72 0.00 0.96 -5.00 105.19 105.94 3cgi n GLY 38 Ca 0.17 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.32 4.16 0.52 0.99 1.43 -1.04 -5.04 118.68 119.40 3cgi s LEU 39 Ca 0.00 2.01 0.06 0.00 -1.03 0.00 0.00 54.13 55.17 3cgi s LEU 39 Cb 0.00 -4.17 0.03 0.00 0.03 0.00 0.00 46.19 42.09 3cgi s LEU 39 CO 0.00 -0.43 0.45 -1.10 0.23 0.00 0.00 176.35 175.50 3cgi s GLN 40 N -2.45 2.30 0.23 1.70 -0.21 -1.26 -4.63 119.66 115.34 3cgi s GLN 40 Ca 0.57 -1.88 0.00 0.00 0.02 0.00 0.00 55.36 54.06 3cgi s GLN 40 Cb -0.21 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.58 3cgi s GLN 40 CO 0.27 -0.57 0.00 -0.25 -2.12 0.00 0.00 175.29 172.62 3cgi n ASP 41 N -1.79 -4.92 -4.75 5.90 10.43 -1.26 -4.86 116.55 115.30 3cgi n ASP 41 Ca 0.02 0.44 -0.32 0.00 2.57 0.00 0.00 54.79 57.50 3cgi n ASP 41 Cb 0.63 -2.57 0.08 0.00 1.84 0.00 0.00 41.12 41.11 3cgi n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cgi s ALA 42 N -2.15 2.22 0.47 2.24 0.00 -1.26 -4.94 121.76 118.34 3cgi s ALA 42 Ca 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 51.96 52.21 3cgi s ALA 42 Cb 0.00 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3cgi s ALA 42 CO 0.00 -1.73 1.17 0.28 0.00 0.00 0.00 175.76 175.48 3cgi n VAL 43 N -3.11 2.94 -4.08 0.00 0.31 -1.26 -5.01 118.33 108.11 3cgi n VAL 43 Ca 0.10 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 3cgi n VAL 43 Cb 0.52 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.77 0.42 0.61 4.52 1.04 -1.26 -5.08 113.70 113.18 3cgi s SER 44 Ca 0.66 -1.27 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 3cgi s SER 44 Cb -0.49 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3cgi s SER 44 CO 0.54 -1.14 1.22 0.00 0.98 0.00 0.00 173.24 174.84 3cgi n ALA 45 N -0.44 1.00 -2.78 5.32 0.00 -1.21 -4.43 120.51 117.96 3cgi n ALA 45 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 3cgi n ALA 45 Cb 0.63 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.68 3cgi n ALA 45 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3cgi s ILE 46 N -1.39 0.78 -0.06 0.00 -4.36 -0.26 -3.34 121.20 112.57 3cgi s ILE 46 Ca 0.78 -1.08 0.04 0.00 -0.26 0.00 0.00 60.65 60.14 3cgi s ILE 46 Cb -0.40 -0.78 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 3cgi s ILE 46 CO 0.44 -0.25 -0.18 -0.83 0.24 0.00 0.00 174.94 174.36 3cgi s GLY 47 N -1.47 1.45 -0.14 6.27 0.00 -0.24 -0.96 107.32 112.23 3cgi s GLY 47 Ca -0.05 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3cgi s GLY 47 CO 0.01 -0.65 -0.21 -0.42 0.00 0.00 0.00 173.10 171.82 3cgi s ILE 48 N -0.40 2.10 -0.03 0.90 1.09 0.48 -0.80 121.20 124.54 3cgi s ILE 48 Ca 0.04 -0.97 0.07 0.00 -1.10 0.00 0.00 60.65 58.69 3cgi s ILE 48 Cb -0.12 -1.84 -0.02 0.00 -1.06 0.00 0.00 42.46 39.42 3cgi s ILE 48 CO 0.02 0.55 -0.24 -0.76 -0.10 0.00 0.00 174.94 174.41 3cgi s LEU 49 N 0.84 2.17 -0.17 2.97 1.43 0.06 -0.80 118.68 125.18 3cgi s LEU 49 Ca -0.06 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3cgi s LEU 49 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.69 3cgi s LEU 49 CO -0.02 0.31 -0.17 -0.89 0.23 0.00 0.00 176.35 175.81 3cgi s THR 50 N -0.53 2.40 -0.04 5.49 2.01 -0.79 -2.46 115.64 121.73 3cgi s THR 50 Ca 0.07 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3cgi s THR 50 Cb -0.11 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.41 3cgi s THR 50 CO 0.00 0.52 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.79 3cgi s ILE 51 N 1.13 0.42 -0.06 1.82 1.01 -0.97 -0.67 121.20 123.88 3cgi s ILE 51 Ca 0.01 -0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.66 3cgi s ILE 51 Cb -0.14 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 3cgi s ILE 51 CO -0.07 0.20 -0.25 -0.89 0.00 0.00 0.00 174.94 173.93 3cgi s THR 52 N 0.92 2.04 0.81 2.92 2.01 0.78 -3.85 115.64 121.28 3cgi s THR 52 Ca -0.11 -1.06 -0.11 0.00 0.31 0.00 0.00 61.69 60.71 3cgi s THR 52 Cb -0.14 -1.73 0.08 0.00 0.01 0.00 0.00 72.50 70.72 3cgi s THR 52 CO -0.00 0.57 1.09 -2.16 -0.69 0.00 0.00 174.62 173.42 3cgi s PRO 53 N -0.16 1.94 0.34 4.92 0.04 -1.05 -0.06 135.00 140.97 3cgi s PRO 53 Ca -0.04 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.83 3cgi s PRO 53 Cb -0.14 -1.89 0.62 0.00 0.04 0.00 0.00 34.50 33.13 3cgi s PRO 53 CO 0.04 -1.76 1.92 0.66 0.04 0.00 0.00 177.00 177.90 3cgi h SER 54 N -1.20 0.59 -0.07 6.66 4.64 -1.84 -2.37 113.55 119.96 3cgi h SER 54 Ca -0.47 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.80 3cgi h SER 54 Cb 1.26 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3cgi h SER 54 CO 0.57 0.55 0.06 -0.33 -0.87 0.00 0.00 176.83 176.81 3cgi h GLU 55 N 0.64 0.00 0.00 4.77 3.07 -1.90 -2.11 114.58 119.05 3cgi h GLU 55 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3cgi h GLU 55 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3cgi h GLU 55 CO -0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.60 3cgi h ALA 56 N 1.94 1.00 -0.95 3.43 0.00 -1.77 -1.02 119.26 121.90 3cgi h ALA 56 Ca 0.03 0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.16 3cgi h ALA 56 Cb 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 3cgi h ALA 56 CO -0.00 0.00 0.62 0.66 0.00 0.00 0.00 179.25 180.53 3cgi h SER 57 N 0.00 0.42 -0.54 0.00 4.64 -1.55 -0.19 113.55 116.33 3cgi h SER 57 Ca 0.00 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3cgi h SER 57 Cb 0.08 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3cgi h SER 57 CO 0.00 0.15 0.16 0.40 -0.87 0.00 0.00 176.83 176.67 3cgi h ILE 58 N 0.41 1.24 -0.14 0.95 2.04 -1.40 -1.40 117.51 119.20 3cgi h ILE 58 Ca 0.51 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 3cgi h ILE 58 Cb 1.26 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3cgi h ILE 58 CO -0.21 0.30 -0.06 0.40 0.00 0.00 0.00 178.15 178.58 3cgi h ILE 59 N 0.76 1.31 -0.87 -0.67 2.04 -1.46 -2.23 117.51 116.39 3cgi h ILE 59 Ca 0.17 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 65.04 3cgi h ILE 59 Cb 0.30 1.73 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 3cgi h ILE 59 CO -0.00 0.32 0.52 0.00 0.00 0.00 0.00 178.15 178.98 3cgi h ALA 60 N 0.67 1.25 -0.50 1.87 0.00 -0.99 -0.77 119.26 120.79 3cgi h ALA 60 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3cgi h ALA 60 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3cgi h ALA 60 CO 0.02 0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.65 3cgi h ASP 62 N 0.66 -0.27 -0.59 0.00 3.58 -0.80 -0.61 116.42 118.39 3cgi h ASP 62 Ca 0.17 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.69 3cgi h ASP 62 Cb 0.17 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3cgi h ASP 62 CO -0.02 -0.19 0.29 0.40 -2.88 0.00 0.00 179.24 176.84 3cgi h ILE 63 N -0.32 0.91 -0.23 2.25 2.04 -1.08 -1.71 117.51 119.36 3cgi h ILE 63 Ca -0.03 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 3cgi h ILE 63 Cb 0.25 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3cgi h ILE 63 CO 0.05 0.10 0.03 0.00 0.00 0.00 0.00 178.15 178.33 3cgi h ALA 64 N 1.34 0.30 0.00 1.87 0.00 -0.91 -1.82 119.26 120.04 3cgi h ALA 64 Ca 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3cgi h ALA 64 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cgi h ALA 64 CO -0.21 -0.01 -0.36 1.79 0.00 0.00 0.00 179.25 180.47 3cgi h THR 65 N 0.18 0.91 0.00 0.00 1.35 -1.00 -2.60 112.91 111.74 3cgi h THR 65 Ca 0.07 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 3cgi h THR 65 Cb 0.34 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3cgi h THR 65 CO 0.01 0.35 -0.16 0.11 -0.25 0.00 0.00 175.52 175.58 3cgi h LYS 66 N 0.00 0.00 0.00 4.72 1.57 -1.18 -3.29 116.57 118.39 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 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3cgi h LYS 66 CO 0.05 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.59 3cgi h SER 67 N 0.00 0.00 0.00 0.86 4.64 -0.92 -3.49 113.55 114.64 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 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 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 0.74 -0.53 2.41 -0.77 0.00 -1.24 -4.92 105.19 100.87 3cgi n GLY 68 Ca 0.03 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 7.12 -2.33 4.61 0.00 -1.26 -4.76 120.51 123.89 3cgi n ALA 69 Ca 0.00 -3.68 -0.30 0.00 0.00 0.00 0.00 53.44 49.45 3cgi n ALA 69 Cb 0.00 -3.30 -0.16 0.00 0.00 0.00 0.00 19.45 15.99 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 1.77 2.03 0.22 0.00 1.01 -1.26 -4.40 120.40 119.78 3cgi s VAL 70 Ca 0.64 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 61.54 3cgi s VAL 70 Cb 0.17 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3cgi s VAL 70 CO -0.07 0.51 -0.05 -1.61 0.00 0.00 0.00 175.10 173.88 3cgi s GLU 71 N -0.77 2.17 -0.43 2.72 0.41 0.68 -4.58 118.70 118.89 3cgi s GLU 71 Ca 0.10 -1.35 -0.25 0.00 -0.41 0.00 0.00 54.97 53.06 3cgi s GLU 71 Cb -0.10 -2.15 0.02 0.00 -1.78 0.00 0.00 34.13 30.12 3cgi s GLU 71 CO -0.00 0.40 0.91 0.42 -0.49 0.00 0.00 175.26 176.50 3cgi s ILE 72 N -2.02 4.52 -0.00 -1.63 1.01 -1.26 -0.72 121.20 121.10 3cgi s ILE 72 Ca 0.28 0.85 -0.24 0.00 0.00 0.00 0.00 60.65 61.54 3cgi s ILE 72 Cb -0.08 -4.39 -0.14 0.00 0.01 0.00 0.00 42.46 37.86 3cgi s ILE 72 CO 0.17 -0.73 1.04 1.23 0.00 0.00 0.00 174.94 176.65 3cgi h GLY 73 N 10.38 -0.69 -3.51 6.18 0.00 -0.25 -3.47 103.07 111.71 3cgi h GLY 73 Ca -0.24 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3cgi h GLY 73 CO 1.01 -0.25 0.03 -0.11 0.00 0.00 0.00 176.54 177.22 3cgi s PHE 74 N -4.33 -0.40 -0.06 5.60 -0.71 -0.98 -4.94 117.98 112.17 3cgi s PHE 74 Ca -0.13 0.37 0.05 0.00 -1.04 0.00 0.00 56.93 56.18 3cgi s PHE 74 Cb 0.01 0.35 -0.00 0.00 -1.21 0.00 0.00 43.02 42.17 3cgi s PHE 74 CO 0.43 -0.67 -0.21 -1.17 -1.34 0.00 0.00 175.22 172.26 3cgi s LEU 75 N -2.16 1.98 -0.35 -1.99 2.96 -1.26 -1.59 118.68 116.27 3cgi s LEU 75 Ca -0.04 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3cgi s LEU 75 Cb -0.00 -1.19 0.10 0.00 0.50 0.00 0.00 46.19 45.60 3cgi s LEU 75 CO -0.04 0.18 0.09 -0.62 -1.32 0.00 0.00 176.35 174.64 3cgi s ASP 76 N 0.06 4.45 0.00 3.68 -1.08 0.44 -4.97 116.67 119.25 3cgi s ASP 76 Ca -0.07 -2.10 0.23 0.00 -0.52 0.00 0.00 52.55 50.08 3cgi s ASP 76 Cb -0.14 -1.37 1.28 0.00 -1.46 0.00 0.00 42.92 41.23 3cgi s ASP 76 CO 0.04 -0.37 1.75 -2.11 0.52 0.00 0.00 175.17 174.99 3cgi n ARG 77 N 4.29 0.56 -0.00 4.34 1.85 -1.26 -0.08 116.66 126.35 3cgi n ARG 77 Ca 0.03 0.03 -0.17 0.00 -1.00 0.00 0.00 57.85 56.74 3cgi n ARG 77 Cb 0.41 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.18 3cgi n ARG 77 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3cgi n PHE 78 N -1.12 1.18 -0.01 2.89 3.01 -1.26 -3.86 117.46 118.28 3cgi n PHE 78 Ca 0.15 0.30 0.04 0.00 1.01 0.00 0.00 57.45 58.95 3cgi n PHE 78 Cb 0.12 -1.17 -0.09 0.00 -0.01 0.00 0.00 39.48 38.33 3cgi n PHE 78 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3cgi n THR 79 N -3.32 0.14 -0.45 4.37 -2.24 -1.17 -4.85 114.28 106.76 3cgi n THR 79 Ca -0.26 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3cgi n THR 79 Cb 1.05 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.94 0.75 3.79 3.38 0.00 0.89 -4.68 105.19 111.26 3cgi n GLY 80 Ca -0.05 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 3.46 -0.03 4.61 0.00 -1.09 -2.30 121.76 124.41 3cgi s ALA 81 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3cgi s ALA 81 Cb 0.00 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.29 3cgi s ALA 81 CO 0.00 0.32 -0.01 0.08 0.00 0.00 0.00 175.76 176.16 3cgi s VAL 82 N -1.26 0.24 -0.20 0.00 1.01 -1.03 -0.42 120.40 118.74 3cgi s VAL 82 Ca 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 3cgi s VAL 82 Cb -0.20 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3cgi s VAL 82 CO 0.23 0.16 -0.12 -0.69 0.00 0.00 0.00 175.10 174.68 3cgi s VAL 83 N 1.00 2.79 0.06 2.92 1.01 -0.62 -0.76 120.40 126.79 3cgi s VAL 83 Ca -0.10 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3cgi s VAL 83 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3cgi s VAL 83 CO -0.01 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 174.98 3cgi s LEU 84 N 1.32 4.23 0.09 3.92 1.43 0.02 0.50 118.68 130.18 3cgi s LEU 84 Ca 0.04 0.21 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 3cgi s LEU 84 Cb -0.14 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3cgi s LEU 84 CO -0.07 0.17 -0.13 0.42 0.23 0.00 0.00 176.35 176.98 3cgi s THR 85 N -1.47 1.08 -5.00 5.49 -4.23 0.10 -1.08 115.64 110.53 3cgi s THR 85 Ca 0.33 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3cgi s THR 85 Cb -0.13 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3cgi s THR 85 CO 0.26 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3cgi n GLY 86 N 0.93 -0.89 3.71 3.99 0.00 -1.21 -0.23 105.19 111.47 3cgi n GLY 86 Ca -0.19 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 3cgi n GLY 86 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cgi n ASP 87 N 3.00 2.27 -0.32 1.61 2.03 -1.26 -3.51 116.55 120.37 3cgi n ASP 87 Ca 0.00 0.99 0.06 0.00 0.52 0.00 0.00 54.79 56.36 3cgi n ASP 87 Cb 0.00 -1.52 0.22 0.00 -0.72 0.00 0.00 41.12 39.10 3cgi n ASP 87 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 3cgi h VAL 88 N 1.45 0.83 -0.20 5.18 3.04 -1.91 -0.52 116.25 124.11 3cgi h VAL 88 Ca -0.49 -0.27 -0.17 0.00 -1.01 0.00 0.00 66.70 64.75 3cgi h VAL 88 Cb 1.31 -0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3cgi h VAL 88 CO 0.57 0.14 -0.57 0.28 -1.01 0.00 0.00 177.57 176.98 3cgi h SER 89 N 0.79 0.72 -0.19 3.17 0.02 -1.99 -1.83 113.55 114.23 3cgi h SER 89 Ca 0.46 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3cgi h SER 89 Cb 0.55 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3cgi h SER 89 CO -0.30 1.13 0.11 0.00 -1.14 0.00 0.00 176.83 176.63 3cgi h ALA 90 N 0.88 0.24 -0.48 3.77 0.00 -1.75 -1.71 119.26 120.21 3cgi h ALA 90 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3cgi h ALA 90 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3cgi h ALA 90 CO 0.11 -0.23 0.05 0.28 0.00 0.00 0.00 179.25 179.46 3cgi h VAL 91 N 0.20 1.25 -0.69 0.00 2.07 -1.07 -1.13 116.25 116.89 3cgi h VAL 91 Ca 0.07 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3cgi h VAL 91 Cb 0.06 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3cgi h VAL 91 CO -0.01 0.34 0.42 -0.08 0.02 0.00 0.00 177.57 178.26 3cgi h GLU 92 N 0.67 0.94 -0.54 1.57 4.81 -1.26 -1.58 114.58 119.19 3cgi h GLU 92 Ca 0.14 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3cgi h GLU 92 Cb 0.44 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3cgi h GLU 92 CO 0.02 0.67 0.10 -0.92 -0.73 0.00 0.00 179.01 178.14 3cgi h TYR 93 N 0.94 0.95 -0.72 0.92 3.20 -1.12 -2.53 116.97 118.62 3cgi h TYR 93 Ca 0.25 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3cgi h TYR 93 Cb -0.03 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 3cgi h TYR 93 CO -0.01 0.84 0.45 0.00 -1.64 0.00 0.00 178.16 177.80 3cgi h ALA 94 N 1.00 0.94 -0.59 1.82 0.00 -0.79 -1.39 119.26 120.23 3cgi h ALA 94 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3cgi h ALA 94 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3cgi h ALA 94 CO 0.01 0.24 0.03 -0.07 0.00 0.00 0.00 179.25 179.46 3cgi h LEU 95 N 0.89 0.98 -0.95 0.00 3.38 -1.19 -1.44 115.31 116.97 3cgi h LEU 95 Ca 0.29 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3cgi h LEU 95 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3cgi h LEU 95 CO -0.10 1.01 0.04 0.11 0.09 0.00 0.00 178.44 179.59 3cgi h LYS 96 N 0.93 0.81 -0.17 1.13 1.57 -1.07 -2.07 116.57 117.70 3cgi h LYS 96 Ca 0.18 -0.20 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3cgi h LYS 96 Cb 0.50 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3cgi h LYS 96 CO 0.02 0.78 -0.63 1.96 -0.57 0.00 0.00 179.45 181.01 3cgi h GLN 97 N 0.76 0.60 0.28 3.15 1.08 -0.98 -0.00 115.11 120.00 3cgi h GLN 97 Ca 0.15 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3cgi h GLN 97 Cb 0.40 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3cgi h GLN 97 CO 0.01 1.04 -0.13 0.28 -0.95 0.00 0.00 178.83 179.08 3cgi h VAL 98 N 0.44 0.73 -0.48 -0.54 2.07 -1.05 0.77 116.25 118.20 3cgi h VAL 98 Ca -0.01 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3cgi h VAL 98 Cb 1.21 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3cgi h VAL 98 CO 0.12 0.01 0.08 0.71 0.02 0.00 0.00 177.57 178.52 3cgi h THR 99 N -0.41 1.25 -0.02 2.57 1.35 -1.39 -1.00 112.91 115.26 3cgi h THR 99 Ca -0.04 -0.91 0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3cgi h THR 99 Cb 0.31 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 3cgi h THR 99 CO 0.06 0.32 -0.06 -0.09 -0.25 0.00 0.00 175.52 175.51 3cgi h ARG 100 N 0.67 -0.09 -0.10 4.72 2.43 -0.92 -0.63 114.38 120.46 3cgi h ARG 100 Ca 0.15 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3cgi h ARG 100 Cb 0.38 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3cgi h ARG 100 CO 0.01 -0.06 -0.12 1.15 -1.51 0.00 0.00 179.97 179.44 3cgi h THR 101 N -0.09 1.37 -0.61 0.20 2.02 -0.77 -1.20 112.91 113.83 3cgi h THR 101 Ca 0.03 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 65.80 3cgi h THR 101 Cb 0.14 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3cgi h THR 101 CO -0.08 0.37 0.00 -0.07 0.37 0.00 0.00 175.52 176.12 3cgi h LEU 102 N -0.16 1.05 0.19 2.58 3.38 -1.23 -0.47 115.31 120.64 3cgi h LEU 102 Ca 0.01 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3cgi h LEU 102 Cb 0.65 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3cgi h LEU 102 CO 0.03 1.09 -0.09 1.23 0.09 0.00 0.00 178.44 180.79 3cgi h GLY 103 N 1.00 -0.27 0.54 0.83 0.00 -1.12 -1.34 103.07 102.71 3cgi h GLY 103 Ca 0.17 0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 3cgi h GLY 103 CO 0.03 -0.10 -0.61 0.83 0.00 0.00 0.00 176.54 176.69 3cgi h GLU 104 N -0.64 0.24 0.00 4.80 5.08 -1.25 -2.91 114.58 119.90 3cgi h GLU 104 Ca -0.03 -0.39 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 3cgi h GLU 104 Cb 0.46 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3cgi h GLU 104 CO 0.04 1.17 -1.29 0.52 -1.00 0.00 0.00 179.01 178.45 3cgi h MET 105 N -0.49 0.00 0.00 2.33 2.86 -1.24 -3.38 114.93 115.00 3cgi h MET 105 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3cgi h MET 105 Cb 1.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.12 3cgi h MET 105 CO 0.11 0.24 0.00 -1.33 1.06 0.00 0.00 176.91 176.99 3cgi n MET 106 N -2.86 2.69 -2.39 1.72 2.81 -0.94 -5.02 117.12 113.13 3cgi n MET 106 Ca -0.07 -1.41 -0.19 0.00 -1.81 0.00 0.00 57.70 54.22 3cgi n MET 106 Cb 0.78 -0.98 -0.01 0.00 -0.71 0.00 0.00 33.22 32.30 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 -0.46 -1.65 -2.63 0.03 6.02 -0.82 -4.93 117.38 112.95 3cgi n GLN 107 Ca 0.00 0.92 -0.38 0.00 -0.01 0.00 0.00 57.00 57.54 3cgi n GLN 107 Cb 0.25 -5.49 -0.05 0.00 1.02 0.00 0.00 30.24 25.97 3cgi n GLN 107 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3cgi s PHE 108 N -2.96 3.52 0.19 1.08 0.40 -0.57 -4.95 117.98 114.69 3cgi s PHE 108 Ca 0.01 1.72 -0.30 0.00 -0.60 0.00 0.00 56.93 57.76 3cgi s PHE 108 Cb -0.01 -3.07 -0.08 0.00 0.51 0.00 0.00 43.02 40.37 3cgi s PHE 108 CO 0.01 -0.25 1.13 0.99 0.70 0.00 0.00 175.22 177.80 3cgi s THR 109 N -1.53 3.75 0.04 0.64 2.01 -0.54 -4.18 115.64 115.82 3cgi s THR 109 Ca 0.52 1.52 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3cgi s THR 109 Cb -0.23 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 3cgi s THR 109 CO 0.29 0.27 -0.09 0.42 -0.69 0.00 0.00 174.62 174.81 3cgi s THR 110 N -0.28 0.68 0.62 -0.82 -4.23 -1.26 -0.58 115.64 109.77 3cgi s THR 110 Ca 0.50 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 3cgi s THR 110 Cb -0.30 -0.68 0.05 0.00 1.34 0.00 0.00 72.50 72.90 3cgi s THR 110 CO 0.36 -0.22 0.88 0.00 -0.54 0.00 0.00 174.62 175.10 3cgi s SER 112 N -4.48 6.17 0.09 0.00 0.01 -1.26 -4.94 113.70 109.29 3cgi s SER 112 Ca 0.59 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 59.16 3cgi s SER 112 Cb -0.10 -2.51 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 3cgi s SER 112 CO 0.41 -0.90 1.12 -0.63 0.41 0.00 0.00 173.24 173.65 3cgi s ILE 113 N -2.73 4.15 0.25 1.44 -1.09 -1.26 -4.49 121.20 117.47 3cgi s ILE 113 Ca 0.59 1.64 0.10 0.00 -2.23 0.00 0.00 60.65 60.76 3cgi s ILE 113 Cb -0.12 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 3cgi s ILE 113 CO 0.40 0.18 -0.10 0.42 -1.23 0.00 0.00 174.94 174.61 3cgi s THR 114 N 0.61 3.03 0.05 2.92 -4.23 -0.54 -5.03 115.64 112.46 3cgi s THR 114 Ca 0.54 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 3cgi s THR 114 Cb -0.28 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 70.97 3cgi s THR 114 CO 0.31 -0.32 0.11 -0.13 -0.54 0.00 0.00 174.62 174.04 3cgi s ARG 115 N -3.42 0.65 -0.30 3.99 0.52 -1.26 -0.74 118.95 118.39 3cgi s ARG 115 Ca 0.29 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.65 3cgi s ARG 115 Cb -0.06 0.25 0.10 0.00 0.52 0.00 0.00 34.95 35.76 3cgi s ARG 115 CO 0.17 -0.17 0.11 0.99 0.02 0.00 0.00 175.30 176.43 3cgi s THR 116 N -2.97 0.36 -2.11 0.02 2.01 0.14 -4.92 115.64 108.16 3cgi s THR 116 Ca -0.02 -1.04 0.26 0.00 0.31 0.00 0.00 61.69 61.20 3cgi s THR 116 Cb 0.01 -1.28 0.26 0.00 0.01 0.00 0.00 72.50 71.49 3cgi s THR 116 CO -0.06 -0.70 1.46 0.18 -0.69 0.00 0.00 174.62 174.81 3cgi n LEU 117 N 5.07 1.57 -4.74 4.42 4.77 -1.26 -0.75 117.00 126.07 3cgi n LEU 117 Ca -0.04 -0.51 -0.38 0.00 -0.03 0.00 0.00 56.01 55.05 3cgi n LEU 117 Cb 0.42 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3cgi n LEU 117 CO 0.07 0.28 0.96 -1.61 -1.33 0.00 0.00 177.39 175.76 3cgi s GLU 118 N -2.34 2.91 0.47 3.23 0.41 -1.26 -4.73 118.70 117.40 3cgi s GLU 118 Ca 0.26 2.18 -0.21 0.00 -0.41 0.00 0.00 54.97 56.79 3cgi s GLU 118 Cb 0.19 -2.10 -0.08 0.00 -1.78 0.00 0.00 34.13 30.36 3cgi s GLU 118 CO 0.47 -1.35 1.08 -1.58 -0.49 0.00 0.00 175.26 173.39 3cgi s HIS 119 N -1.33 2.97 -0.48 1.61 5.65 -1.26 -4.23 115.29 118.21 3cgi s HIS 119 Ca 0.76 1.58 -0.20 0.00 0.25 0.00 0.00 55.06 57.44 3cgi s HIS 119 Cb -0.40 -3.18 0.04 0.00 -1.18 0.00 0.00 32.58 27.86 3cgi s HIS 119 CO 0.45 -1.06 0.66 -1.58 -0.65 0.00 0.00 174.74 172.56 3cgi s HIS 120 N -1.78 3.03 0.29 3.88 2.46 -1.25 -5.03 115.29 116.88 3cgi s HIS 120 Ca 0.66 -0.31 -0.29 0.00 0.47 0.00 0.00 55.06 55.59 3cgi s HIS 120 Cb -0.21 -3.50 -0.09 0.00 -0.13 0.00 0.00 32.58 28.64 3cgi s HIS 120 CO 0.26 -1.00 1.04 -1.01 -2.47 0.00 0.00 174.74 171.56 3cgi s HIS 121 N 2.83 3.66 0.00 3.88 3.76 -1.26 -5.02 115.29 123.13 3cgi s HIS 121 Ca 0.19 1.76 0.00 0.00 -0.15 0.00 0.00 55.06 56.86 3cgi s HIS 121 Cb -0.17 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.37 3cgi s HIS 121 CO 0.15 -0.23 0.00 1.58 -0.85 0.00 0.00 174.74 175.39