#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x0o n ALA 2 N 0.00 -2.37 -1.83 4.61 0.00 -1.26 -4.98 120.51 114.68 1x0o n ALA 2 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 1x0o n ALA 2 Cb 0.00 -4.00 0.02 0.00 0.00 0.00 0.00 19.45 15.48 1x0o n ALA 2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x0o s MET 3 N -5.50 3.33 -0.56 0.00 1.00 -1.26 -5.00 119.30 111.31 1x0o s MET 3 Ca 0.33 0.71 -0.24 0.00 0.00 0.00 0.00 55.69 56.48 1x0o s MET 3 Cb -0.09 -2.05 0.04 0.00 0.00 0.00 0.00 34.83 32.73 1x0o s MET 3 CO 0.81 -0.75 0.95 0.16 0.00 0.00 0.00 175.02 176.19 1x0o s ASP 4 N -4.17 6.33 -0.01 3.03 -4.77 -1.26 -5.00 116.67 110.82 1x0o s ASP 4 Ca 0.56 -0.38 -0.00 0.00 -3.30 0.00 0.00 52.55 49.43 1x0o s ASP 4 Cb -0.11 -2.44 0.01 0.00 -1.09 0.00 0.00 42.92 39.29 1x0o s ASP 4 CO 0.54 -1.25 0.02 0.20 0.70 0.00 0.00 175.17 175.38 1x0o s ASN 5 N 2.90 0.01 -0.29 2.11 0.01 -1.26 -4.96 114.94 113.46 1x0o s ASN 5 Ca 0.30 0.04 -0.19 0.00 -0.71 0.00 0.00 52.86 52.31 1x0o s ASN 5 Cb -0.13 0.01 0.15 0.00 0.41 0.00 0.00 41.25 41.69 1x0o s ASN 5 CO 0.19 -0.05 1.04 0.54 -1.51 0.00 0.00 177.10 177.31 1x0o s VAL 6 N 0.38 0.00 -1.15 1.60 0.11 -1.26 -5.01 120.40 115.07 1x0o s VAL 6 Ca -0.03 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 1x0o s VAL 6 Cb -0.04 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1x0o s VAL 6 CO -0.01 0.00 0.82 0.00 -3.33 0.00 0.00 175.10 172.58 1x0o s GLN 8 N -5.40 3.72 0.67 0.00 -1.52 -1.26 -5.08 119.66 110.79 1x0o s GLN 8 Ca 0.33 0.16 -0.16 0.00 -1.95 0.00 0.00 55.36 53.74 1x0o s GLN 8 Cb -0.08 -3.13 0.01 0.00 -0.22 0.00 0.00 33.01 29.58 1x0o s GLN 8 CO 0.80 0.67 1.19 -2.14 -0.25 0.00 0.00 175.29 175.56 1x0o s PRO 9 N -1.41 2.53 -0.18 2.91 0.02 -1.26 -4.77 135.00 132.84 1x0o s PRO 9 Ca 0.25 1.71 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1x0o s PRO 9 Cb -0.14 -1.89 0.23 0.00 0.02 0.00 0.00 34.50 32.72 1x0o s PRO 9 CO 0.13 -1.52 1.43 0.25 -0.33 0.00 0.00 177.00 176.96 1x0o n THR 10 N -2.31 1.92 -4.43 0.99 -2.24 -1.26 -4.26 114.28 102.70 1x0o n THR 10 Ca 0.13 -0.80 -0.22 0.00 -2.27 0.00 0.00 64.05 60.89 1x0o n THR 10 Cb 0.50 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.69 1x0o n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x0o s GLU 11 N -1.24 1.19 0.00 -0.78 2.12 -1.26 -0.94 118.70 117.79 1x0o s GLU 11 Ca 0.21 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.24 1x0o s GLU 11 Cb 0.18 -1.07 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 1x0o s GLU 11 CO 0.03 0.06 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.19 1x0o s PHE 12 N 0.46 0.32 -0.05 5.30 -0.71 -0.57 -4.80 117.98 117.93 1x0o s PHE 12 Ca -0.08 -0.15 -0.14 0.00 -1.04 0.00 0.00 56.93 55.53 1x0o s PHE 12 Cb -0.12 -0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.43 1x0o s PHE 12 CO 0.01 -0.03 0.35 -1.50 -1.34 0.00 0.00 175.22 172.72 1x0o s ILE 13 N -0.34 5.16 -0.02 -4.49 2.07 -1.26 -0.37 121.20 121.95 1x0o s ILE 13 Ca -0.02 0.71 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 1x0o s ILE 13 Cb -0.03 -3.66 0.01 0.00 0.13 0.00 0.00 42.46 38.91 1x0o s ILE 13 CO -0.00 0.54 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.60 1x0o s SER 14 N -0.74 0.51 -0.11 4.50 1.04 -0.15 -2.81 113.70 115.93 1x0o s SER 14 Ca 0.21 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1x0o s SER 14 Cb -0.15 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1x0o s SER 14 CO 0.10 -0.01 -0.10 -0.13 0.98 0.00 0.00 173.24 174.09 1x0o s ARG 15 N 0.35 3.18 0.17 4.02 0.52 0.68 -0.07 118.95 127.80 1x0o s ARG 15 Ca -0.04 -0.62 -0.10 0.00 -0.52 0.00 0.00 55.73 54.46 1x0o s ARG 15 Cb -0.07 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 1x0o s ARG 15 CO -0.01 0.38 0.31 -3.38 0.02 0.00 0.00 175.30 172.62 1x0o s HIS 16 N -0.06 0.39 0.53 -0.53 -3.43 0.52 -0.79 115.29 111.92 1x0o s HIS 16 Ca -0.01 -0.74 -0.17 0.00 -0.80 0.00 0.00 55.06 53.33 1x0o s HIS 16 Cb -0.14 -0.02 -0.07 0.00 -1.43 0.00 0.00 32.58 30.92 1x0o s HIS 16 CO 0.03 -0.75 1.02 1.21 -2.00 0.00 0.00 174.74 174.25 1x0o s ASN 17 N -2.97 6.26 0.52 7.38 3.84 0.79 -0.50 114.94 130.26 1x0o s ASN 17 Ca 0.18 1.76 0.30 0.00 0.21 0.00 0.00 52.86 55.31 1x0o s ASN 17 Cb 0.03 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.63 1x0o s ASN 17 CO 0.01 -0.84 1.88 0.16 -2.79 0.00 0.00 177.10 175.52 1x0o h ILE 18 N 0.96 0.55 0.00 -5.21 3.07 -1.95 0.58 117.51 115.51 1x0o h ILE 18 Ca -0.48 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 65.92 1x0o h ILE 18 Cb 1.21 0.49 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1x0o h ILE 18 CO 0.59 0.01 0.00 -0.33 -1.05 0.00 0.00 178.15 177.37 1x0o h GLU 19 N 0.05 0.00 0.00 0.16 5.08 -2.03 -3.45 114.58 114.39 1x0o h GLU 19 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1x0o h GLU 19 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 1x0o h GLU 19 CO -0.03 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 1x0o n GLY 20 N 0.00 1.38 3.53 -3.84 0.00 0.20 -4.86 105.19 101.61 1x0o n GLY 20 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1x0o n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x0o s ILE 21 N -2.00 4.78 0.22 -0.61 -1.09 -1.00 -2.21 121.20 119.29 1x0o s ILE 21 Ca 0.00 0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.35 1x0o s ILE 21 Cb 0.00 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.56 1x0o s ILE 21 CO 0.00 -0.61 1.33 -0.36 -1.23 0.00 0.00 174.94 174.07 1x0o s PHE 22 N 2.94 3.20 -0.00 3.97 0.40 -1.26 -0.15 117.98 127.07 1x0o s PHE 22 Ca 0.25 1.21 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1x0o s PHE 22 Cb -0.14 -3.65 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 1x0o s PHE 22 CO 0.20 -2.01 0.03 0.25 0.70 0.00 0.00 175.22 174.38 1x0o n THR 23 N 2.39 0.01 -3.68 0.64 -2.24 0.03 -3.44 114.28 108.00 1x0o n THR 23 Ca 0.06 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1x0o n THR 23 Cb 0.42 0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.81 1x0o n THR 23 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1x0o s PHE 24 N -2.10 -0.42 -0.02 4.78 5.36 -0.69 -5.01 117.98 119.87 1x0o s PHE 24 Ca -0.01 0.96 0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1x0o s PHE 24 Cb 0.01 0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1x0o s PHE 24 CO 0.07 -0.33 -0.11 0.08 -1.46 0.00 0.00 175.22 173.47 1x0o s VAL 25 N 2.12 0.92 0.28 3.12 1.01 -1.26 -0.23 120.40 126.36 1x0o s VAL 25 Ca -0.02 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1x0o s VAL 25 Cb -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 1x0o s VAL 25 CO -0.09 0.28 0.71 -0.62 0.00 0.00 0.00 175.10 175.38 1x0o s ASP 26 N 0.05 6.85 0.64 3.32 -1.08 -1.12 -4.71 116.67 120.60 1x0o s ASP 26 Ca -0.01 1.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.56 1x0o s ASP 26 Cb -0.08 -2.37 1.37 0.00 -1.46 0.00 0.00 42.92 40.37 1x0o s ASP 26 CO 0.00 -0.12 1.78 0.45 0.52 0.00 0.00 175.17 177.81 1x0o h HIS 27 N 2.66 0.00 0.00 -5.34 3.86 -1.93 -1.01 115.15 113.40 1x0o h HIS 27 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1x0o h HIS 27 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1x0o h HIS 27 CO 0.62 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.95 1x0o n ARG 28 N -3.12 0.13 -0.11 2.45 1.74 -1.26 -2.54 116.66 113.95 1x0o n ARG 28 Ca 0.03 0.20 -0.02 0.00 -0.77 0.00 0.00 57.85 57.29 1x0o n ARG 28 Cb 0.59 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.74 1x0o n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x0o h VAL 30 N 0.75 1.13 0.01 0.00 -1.51 -1.00 0.28 116.25 115.90 1x0o h VAL 30 Ca 0.16 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1x0o h VAL 30 Cb 0.30 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1x0o h VAL 30 CO 0.00 0.17 -0.00 0.00 -1.23 0.00 0.00 177.57 176.51 1x0o h ALA 31 N 1.76 -0.01 0.15 5.19 0.00 -1.70 -1.33 119.26 123.33 1x0o h ALA 31 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1x0o h ALA 31 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1x0o h ALA 31 CO 0.01 -0.03 -0.07 1.15 0.00 0.00 0.00 179.25 180.31 1x0o h THR 32 N -0.97 0.85 0.00 0.00 2.02 -1.26 -3.38 112.91 110.17 1x0o h THR 32 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1x0o h THR 32 Cb 0.78 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1x0o h THR 32 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.23 1x0o n VAL 33 N -5.18 0.27 0.00 3.16 0.24 0.91 -4.93 118.33 112.80 1x0o n VAL 33 Ca -0.09 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1x0o n VAL 33 Cb 0.11 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1x0o n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x0o n GLY 34 N -0.13 2.15 3.77 7.63 0.00 -0.50 -0.99 105.19 117.12 1x0o n GLY 34 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1x0o n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x0o s TYR 35 N -0.54 3.14 0.49 1.61 2.02 -1.25 -4.51 117.35 118.32 1x0o s TYR 35 Ca 0.00 1.59 -0.03 0.00 -0.37 0.00 0.00 57.07 58.26 1x0o s TYR 35 Cb 0.00 -3.30 -0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1x0o s TYR 35 CO 0.00 -1.08 0.77 -0.65 -1.57 0.00 0.00 175.55 173.02 1x0o s GLN 36 N -2.35 3.20 0.20 -0.62 -0.21 -1.26 -1.57 119.66 117.05 1x0o s GLN 36 Ca 0.57 -0.11 -0.17 0.00 0.02 0.00 0.00 55.36 55.67 1x0o s GLN 36 Cb -0.28 -2.42 0.18 0.00 1.00 0.00 0.00 33.01 31.49 1x0o s GLN 36 CO 0.35 -0.34 1.61 -1.35 -2.12 0.00 0.00 175.29 173.43 1x0o h PRO 37 N 0.20 -0.08 -0.79 2.91 0.11 -1.84 -0.21 132.00 132.30 1x0o h PRO 37 Ca -0.46 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1x0o h PRO 37 Cb 1.24 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1x0o h PRO 37 CO 0.60 -0.06 0.39 1.96 -0.21 0.00 0.00 178.00 180.69 1x0o h GLN 38 N -0.09 1.12 -0.72 1.05 1.08 -1.93 -2.39 115.11 113.23 1x0o h GLN 38 Ca 0.27 -0.15 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1x0o h GLN 38 Cb 0.50 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1x0o h GLN 38 CO -0.65 0.85 0.48 0.93 -0.95 0.00 0.00 178.83 179.49 1x0o h GLU 39 N 1.12 0.77 0.00 1.46 4.39 -1.42 -1.97 114.58 118.92 1x0o h GLU 39 Ca 0.27 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1x0o h GLU 39 Cb 0.09 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1x0o h GLU 39 CO -0.04 0.51 -0.94 1.25 -1.16 0.00 0.00 179.01 178.63 1x0o h LEU 40 N 0.79 0.00 -8.37 1.33 5.85 -1.00 -3.41 115.31 110.51 1x0o h LEU 40 Ca 0.31 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.61 1x0o h LEU 40 Cb 0.20 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1x0o h LEU 40 CO -0.10 0.09 1.09 -0.76 -0.34 0.00 0.00 178.44 178.42 1x0o s LEU 41 N -5.53 3.24 0.00 2.25 1.43 -0.74 -2.50 118.68 116.83 1x0o s LEU 41 Ca 0.00 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1x0o s LEU 41 Cb 0.09 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1x0o s LEU 41 CO 0.78 -2.50 0.00 0.61 0.23 0.00 0.00 176.35 175.47 1x0o n GLY 42 N 6.21 1.22 3.61 -3.19 0.00 -1.22 -4.98 105.19 106.83 1x0o n GLY 42 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 1x0o n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x0o s LYS 43 N 0.00 3.24 0.37 1.61 1.02 -1.04 -4.91 119.74 120.03 1x0o s LYS 43 Ca 0.00 -0.46 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 1x0o s LYS 43 Cb 0.00 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 1x0o s LYS 43 CO 0.00 0.52 1.10 1.21 -0.92 0.00 0.00 175.35 177.27 1x0o s ASN 44 N -0.40 6.80 0.54 2.83 3.84 -1.26 -4.27 114.94 123.03 1x0o s ASN 44 Ca 0.07 2.20 0.25 0.00 0.21 0.00 0.00 52.86 55.59 1x0o s ASN 44 Cb -0.12 -2.61 1.54 0.00 -0.55 0.00 0.00 41.25 39.51 1x0o s ASN 44 CO 0.02 -0.47 2.16 -0.29 -2.79 0.00 0.00 177.10 175.73 1x0o h ILE 45 N 2.46 0.69 0.00 -5.21 2.10 -1.77 -1.15 117.51 114.62 1x0o h ILE 45 Ca -0.48 -0.23 -0.08 0.00 1.08 0.00 0.00 64.86 65.16 1x0o h ILE 45 Cb 1.22 1.14 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 1x0o h ILE 45 CO 0.63 0.06 -0.36 0.58 -1.08 0.00 0.00 178.15 177.98 1x0o h VAL 46 N 0.00 0.72 0.00 2.19 2.07 -1.89 -0.42 116.25 118.93 1x0o h VAL 46 Ca -0.00 -1.64 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 1x0o h VAL 46 Cb 0.13 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1x0o h VAL 46 CO 0.01 0.35 -0.32 -0.33 0.02 0.00 0.00 177.57 177.29 1x0o h GLU 47 N 0.00 0.00 -0.40 1.57 4.39 -1.58 -2.37 114.58 116.20 1x0o h GLU 47 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x0o h GLU 47 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1x0o h GLU 47 CO 0.05 0.32 0.00 1.19 -1.16 0.00 0.00 179.01 179.41 1x0o n PHE 48 N -3.82 0.84 -3.22 4.33 3.72 -0.97 -4.95 117.46 113.38 1x0o n PHE 48 Ca -0.01 -0.64 -0.39 0.00 -0.05 0.00 0.00 57.45 56.36 1x0o n PHE 48 Cb 0.41 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.73 1x0o n PHE 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x0o n HIS 50 N 3.14 1.69 -0.14 0.00 -0.00 -0.14 -4.77 115.22 115.00 1x0o n HIS 50 Ca -0.06 0.79 0.28 0.00 0.46 0.00 0.00 57.72 59.19 1x0o n HIS 50 Cb 0.51 -2.32 0.70 0.00 -0.12 0.00 0.00 29.99 28.76 1x0o n HIS 50 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1x0o h PRO 51 N 5.57 0.00 -0.01 1.57 0.11 -1.92 0.73 132.00 138.06 1x0o h PRO 51 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1x0o h PRO 51 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1x0o h PRO 51 CO 0.89 0.00 -0.27 0.39 -0.21 0.00 0.00 178.00 178.80 1x0o n GLU 52 N -3.87 0.82 0.00 1.05 -0.58 -1.26 -3.84 120.64 112.96 1x0o n GLU 52 Ca 0.18 -0.49 0.06 0.00 -0.42 0.00 0.00 57.16 56.48 1x0o n GLU 52 Cb 1.02 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.39 1x0o n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1x0o n ASP 53 N -0.66 1.19 -0.10 1.62 9.92 0.25 -4.56 116.55 124.21 1x0o n ASP 53 Ca 0.12 -1.10 -0.03 0.00 -0.53 0.00 0.00 54.79 53.25 1x0o n ASP 53 Cb 0.35 0.55 0.20 0.00 -0.64 0.00 0.00 41.12 41.58 1x0o n ASP 53 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1x0o h GLN 54 N 1.09 0.77 -0.27 -1.24 4.20 -1.57 0.16 115.11 118.25 1x0o h GLN 54 Ca 0.00 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.38 1x0o h GLN 54 Cb 0.37 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1x0o h GLN 54 CO 0.00 0.74 -0.46 0.37 -0.67 0.00 0.00 178.83 178.80 1x0o h GLN 55 N 0.73 0.72 -0.15 1.46 5.75 -1.84 0.71 115.11 122.49 1x0o h GLN 55 Ca 0.15 -0.41 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1x0o h GLN 55 Cb 0.35 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1x0o h GLN 55 CO 0.01 1.03 0.07 1.25 -2.65 0.00 0.00 178.83 178.54 1x0o h LEU 56 N 0.57 0.19 -0.73 -2.39 6.46 -1.50 0.11 115.31 118.02 1x0o h LEU 56 Ca 0.03 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1x0o h LEU 56 Cb 1.02 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 1x0o h LEU 56 CO 0.10 0.25 0.38 -0.07 -0.62 0.00 0.00 178.44 178.48 1x0o h LEU 57 N 0.12 0.93 0.12 2.25 3.38 -0.70 -1.27 115.31 120.14 1x0o h LEU 57 Ca 0.05 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1x0o h LEU 57 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1x0o h LEU 57 CO -0.01 0.78 -0.18 -0.09 0.09 0.00 0.00 178.44 179.03 1x0o h ARG 58 N 1.01 -0.35 -0.20 1.13 2.43 -0.33 0.26 114.38 118.34 1x0o h ARG 58 Ca 0.25 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1x0o h ARG 58 Cb 0.07 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1x0o h ARG 58 CO -0.04 -0.23 0.10 0.22 -1.51 0.00 0.00 179.97 178.52 1x0o h ASP 59 N -0.36 0.16 0.21 -3.80 1.82 -0.69 -1.55 116.42 112.21 1x0o h ASP 59 Ca 0.02 0.01 -0.13 0.00 -0.39 0.00 0.00 57.03 56.53 1x0o h ASP 59 Cb 0.37 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1x0o h ASP 59 CO -0.09 0.12 -0.49 0.28 -1.61 0.00 0.00 179.24 177.46 1x0o h SER 60 N 0.22 0.35 -0.37 2.28 0.02 -0.96 0.21 113.55 115.31 1x0o h SER 60 Ca 0.08 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.74 1x0o h SER 60 Cb 0.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1x0o h SER 60 CO -0.05 0.79 -0.20 -0.26 -1.14 0.00 0.00 176.83 175.97 1x0o h PHE 61 N 0.26 0.98 -0.60 3.45 0.04 -0.33 -1.56 116.94 119.17 1x0o h PHE 61 Ca 0.01 -0.22 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 1x0o h PHE 61 Cb 0.96 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 1x0o h PHE 61 CO 0.02 0.98 0.07 1.96 -0.60 0.00 0.00 178.31 180.75 1x0o h GLN 62 N 0.75 1.00 0.14 1.51 1.08 -0.57 -2.65 115.11 116.37 1x0o h GLN 62 Ca 0.10 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1x0o h GLN 62 Cb 0.74 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1x0o h GLN 62 CO 0.06 0.94 -0.11 1.96 -0.95 0.00 0.00 178.83 180.72 1x0o h GLN 63 N 0.94 -0.25 0.00 1.46 1.08 -0.12 -1.46 115.11 116.75 1x0o h GLN 63 Ca 0.18 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1x0o h GLN 63 Cb 0.45 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1x0o h GLN 63 CO 0.02 -0.17 -0.26 -0.24 -0.95 0.00 0.00 178.83 177.22 1x0o h VAL 64 N -0.26 1.13 0.00 -0.54 3.04 -1.26 0.35 116.25 118.71 1x0o h VAL 64 Ca -0.00 -0.92 -0.08 0.00 -1.01 0.00 0.00 66.70 64.69 1x0o h VAL 64 Cb 0.24 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 1x0o h VAL 64 CO -0.02 0.26 -0.40 0.58 -1.01 0.00 0.00 177.57 176.98 1x0o h VAL 65 N 0.00 1.13 0.06 1.51 2.07 -1.09 0.38 116.25 120.31 1x0o h VAL 65 Ca -0.00 -1.44 -0.26 0.00 0.82 0.00 0.00 66.70 65.81 1x0o h VAL 65 Cb 0.48 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1x0o h VAL 65 CO 0.03 0.39 -1.30 0.11 0.02 0.00 0.00 177.57 176.82 1x0o h LYS 66 N 0.00 0.14 0.12 1.57 1.57 -0.04 -3.35 116.57 116.57 1x0o h LYS 66 Ca -0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1x0o h LYS 66 Cb 0.78 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1x0o h LYS 66 CO 0.05 1.02 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.83 1x0o h LEU 67 N 0.04 -0.14 -2.24 2.94 3.38 0.00 -3.50 115.31 115.80 1x0o h LEU 67 Ca -0.14 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1x0o h LEU 67 Cb 1.92 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.66 1x0o h LEU 67 CO 0.15 0.37 -1.15 0.29 0.09 0.00 0.00 178.44 178.19 1x0o n LYS 68 N -4.92 -3.52 0.00 1.13 5.02 0.13 -4.50 118.16 111.50 1x0o n LYS 68 Ca -0.08 2.79 0.00 0.00 -2.02 0.00 0.00 58.31 59.00 1x0o n LYS 68 Cb 0.27 -4.76 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1x0o n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x0o n GLY 69 N 1.15 2.26 3.71 0.72 0.00 -1.26 -5.01 105.19 106.77 1x0o n GLY 69 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1x0o n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x0o s GLN 70 N -0.25 4.42 -0.43 1.61 2.00 -1.26 -4.91 119.66 120.84 1x0o s GLN 70 Ca 0.00 0.90 -0.29 0.00 -2.00 0.00 0.00 55.36 53.97 1x0o s GLN 70 Cb 0.00 -3.46 0.02 0.00 0.80 0.00 0.00 33.01 30.37 1x0o s GLN 70 CO 0.00 0.02 1.26 0.08 -0.50 0.00 0.00 175.29 176.14 1x0o s VAL 71 N 0.95 4.10 -0.20 1.34 1.01 -1.25 -4.55 120.40 121.80 1x0o s VAL 71 Ca 0.38 1.14 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 1x0o s VAL 71 Cb -0.18 -4.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.75 1x0o s VAL 71 CO 0.18 -0.84 0.11 -0.22 0.00 0.00 0.00 175.10 174.33 1x0o s LEU 72 N 4.78 4.09 -0.23 3.92 2.96 -0.09 -4.80 118.68 129.31 1x0o s LEU 72 Ca 0.54 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 1x0o s LEU 72 Cb -0.11 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1x0o s LEU 72 CO 0.30 0.17 0.59 -0.44 -1.32 0.00 0.00 176.35 175.66 1x0o s SER 73 N 0.40 6.59 -0.05 3.68 0.01 -1.26 0.07 113.70 123.14 1x0o s SER 73 Ca 0.07 0.71 0.02 0.00 1.31 0.00 0.00 55.95 58.06 1x0o s SER 73 Cb -0.12 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.80 1x0o s SER 73 CO -0.01 -0.29 -0.12 0.54 0.41 0.00 0.00 173.24 173.77 1x0o s VAL 74 N 2.14 1.07 -0.12 3.43 0.11 -0.36 -4.97 120.40 121.69 1x0o s VAL 74 Ca 0.26 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 1x0o s VAL 74 Cb -0.16 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1x0o s VAL 74 CO 0.09 0.33 -0.13 -0.32 -3.33 0.00 0.00 175.10 171.75 1x0o s MET 75 N 0.51 3.28 0.38 1.54 1.75 -1.26 -0.17 119.30 125.33 1x0o s MET 75 Ca -0.11 -0.67 -0.16 0.00 -1.25 0.00 0.00 55.69 53.50 1x0o s MET 75 Cb -0.14 -2.62 0.06 0.00 2.84 0.00 0.00 34.83 34.97 1x0o s MET 75 CO 0.03 0.28 0.79 -0.59 -0.65 0.00 0.00 175.02 174.87 1x0o s PHE 76 N 0.19 0.12 -0.28 4.11 -0.71 -0.96 -4.97 117.98 115.47 1x0o s PHE 76 Ca -0.07 -0.79 -0.08 0.00 -1.04 0.00 0.00 56.93 54.95 1x0o s PHE 76 Cb -0.15 0.84 -0.01 0.00 -1.21 0.00 0.00 43.02 42.49 1x0o s PHE 76 CO 0.05 -1.57 0.10 1.03 -1.34 0.00 0.00 175.22 173.49 1x0o s ARG 77 N -2.32 3.38 -0.05 1.99 0.52 -1.25 -1.89 118.95 119.32 1x0o s ARG 77 Ca 0.15 -0.67 -0.17 0.00 -0.52 0.00 0.00 55.73 54.53 1x0o s ARG 77 Cb -0.05 -3.41 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 1x0o s ARG 77 CO 0.11 -0.34 0.45 0.12 0.02 0.00 0.00 175.30 175.67 1x0o s PHE 78 N 1.58 3.63 -0.47 -0.53 2.19 0.06 -0.97 117.98 123.46 1x0o s PHE 78 Ca 0.05 0.96 -0.29 0.00 0.33 0.00 0.00 56.93 57.98 1x0o s PHE 78 Cb -0.16 -2.43 0.02 0.00 -1.31 0.00 0.00 43.02 39.14 1x0o s PHE 78 CO 0.04 0.41 1.26 0.50 1.83 0.00 0.00 175.22 179.26 1x0o s ARG 79 N -0.24 3.61 1.26 10.12 3.52 0.10 -0.63 118.95 136.70 1x0o s ARG 79 Ca 0.25 0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 56.29 1x0o s ARG 79 Cb -0.16 -3.98 0.31 0.00 -1.56 0.00 0.00 34.95 29.56 1x0o s ARG 79 CO 0.12 -1.53 1.08 -1.54 -0.81 0.00 0.00 175.30 172.62 1x0o s SER 80 N 3.19 0.38 0.00 -2.12 1.04 0.72 -4.86 113.70 112.05 1x0o s SER 80 Ca 0.53 0.62 0.20 0.00 0.48 0.00 0.00 55.95 57.77 1x0o s SER 80 Cb -0.10 -0.84 1.20 0.00 0.10 0.00 0.00 66.02 66.39 1x0o s SER 80 CO 0.31 -4.45 1.64 1.17 0.98 0.00 0.00 173.24 172.88 1x0o n LYS 81 N -4.98 0.77 -0.19 4.02 3.00 -0.16 -1.47 118.16 119.15 1x0o n LYS 81 Ca 0.14 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.52 1x0o n LYS 81 Cb 0.60 -1.41 0.17 0.00 0.00 0.00 0.00 35.03 34.39 1x0o n LYS 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x0o n ASN 82 N -0.91 3.04 -0.16 3.14 3.02 -1.26 -4.95 115.26 117.17 1x0o n ASN 82 Ca 0.15 -1.95 -0.02 0.00 -0.03 0.00 0.00 54.58 52.73 1x0o n ASN 82 Cb 0.07 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1x0o n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x0o n GLN 83 N 0.76 -1.11 -3.95 3.52 3.00 -0.54 -4.99 117.38 114.07 1x0o n GLN 83 Ca 0.14 0.40 -0.31 0.00 -0.01 0.00 0.00 57.00 57.22 1x0o n GLN 83 Cb 0.45 -4.30 -0.05 0.00 0.00 0.00 0.00 30.24 26.35 1x0o n GLN 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1x0o s GLU 84 N -1.49 3.33 -0.44 -1.09 -1.05 -1.26 -4.83 118.70 111.87 1x0o s GLU 84 Ca 0.00 -0.48 -0.12 0.00 -0.15 0.00 0.00 54.97 54.21 1x0o s GLU 84 Cb 0.00 -2.98 0.07 0.00 -0.44 0.00 0.00 34.13 30.78 1x0o s GLU 84 CO 0.00 0.60 0.32 -1.58 0.95 0.00 0.00 175.26 175.55 1x0o s TRP 85 N -1.48 3.29 0.39 4.83 0.52 -1.26 -0.20 118.94 125.04 1x0o s TRP 85 Ca 0.33 -1.22 -0.01 0.00 0.02 0.00 0.00 56.10 55.23 1x0o s TRP 85 Cb -0.13 -3.01 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 1x0o s TRP 85 CO 0.26 -0.81 0.63 -0.51 0.02 0.00 0.00 176.95 176.54 1x0o s LEU 86 N 1.53 3.87 -0.29 2.99 1.02 0.20 -4.29 118.68 123.72 1x0o s LEU 86 Ca 0.03 0.57 -0.21 0.00 0.02 0.00 0.00 54.13 54.54 1x0o s LEU 86 Cb -0.23 -3.46 -0.01 0.00 0.02 0.00 0.00 46.19 42.51 1x0o s LEU 86 CO 0.04 -0.41 0.69 0.26 0.02 0.00 0.00 176.35 176.95 1x0o s TRP 87 N -2.46 3.24 0.03 0.29 0.52 0.18 -0.76 118.94 119.98 1x0o s TRP 87 Ca 0.43 0.75 0.04 0.00 0.02 0.00 0.00 56.10 57.34 1x0o s TRP 87 Cb -0.10 -3.02 -0.02 0.00 -1.15 0.00 0.00 33.47 29.19 1x0o s TRP 87 CO 0.39 -0.45 -0.11 0.00 0.02 0.00 0.00 176.95 176.79 1x0o s MET 88 N 2.70 0.79 -0.37 4.98 0.23 -0.79 -1.20 119.30 125.64 1x0o s MET 88 Ca 0.28 -0.63 -0.11 0.00 -1.03 0.00 0.00 55.69 54.20 1x0o s MET 88 Cb -0.15 -0.75 0.03 0.00 -1.53 0.00 0.00 34.83 32.43 1x0o s MET 88 CO 0.11 0.19 0.21 0.50 -2.03 0.00 0.00 175.02 173.99 1x0o s ARG 89 N -0.96 2.84 -0.13 3.16 3.52 -0.52 -2.28 118.95 124.58 1x0o s ARG 89 Ca 0.00 -1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 54.38 1x0o s ARG 89 Cb -0.07 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 1x0o s ARG 89 CO 0.01 -0.69 0.36 0.99 -0.81 0.00 0.00 175.30 175.16 1x0o s THR 90 N 1.55 5.24 -0.29 4.11 2.01 0.76 -2.55 115.64 126.47 1x0o s THR 90 Ca 0.02 0.71 -0.19 0.00 0.31 0.00 0.00 61.69 62.53 1x0o s THR 90 Cb -0.19 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1x0o s THR 90 CO 0.07 0.40 0.58 -0.44 -0.69 0.00 0.00 174.62 174.53 1x0o s SER 91 N 0.31 6.46 -0.17 3.53 0.01 0.67 -1.23 113.70 123.29 1x0o s SER 91 Ca 0.20 0.42 -0.14 0.00 1.31 0.00 0.00 55.95 57.74 1x0o s SER 91 Cb -0.14 -2.31 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 1x0o s SER 91 CO 0.07 -0.42 0.29 -0.44 0.41 0.00 0.00 173.24 173.16 1x0o s SER 92 N 1.62 6.42 -0.01 2.44 0.01 0.11 -1.69 113.70 122.60 1x0o s SER 92 Ca 0.23 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1x0o s SER 92 Cb -0.15 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1x0o s SER 92 CO 0.11 0.09 0.01 0.12 0.41 0.00 0.00 173.24 173.97 1x0o s PHE 93 N 0.54 0.08 -0.39 2.43 5.36 -0.40 -0.91 117.98 124.69 1x0o s PHE 93 Ca 0.16 0.03 -0.11 0.00 -0.96 0.00 0.00 56.93 56.06 1x0o s PHE 93 Cb -0.13 -0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.45 1x0o s PHE 93 CO 0.04 -0.04 0.22 0.95 -1.46 0.00 0.00 175.22 174.93 1x0o s THR 94 N 0.44 4.54 -0.52 0.12 -4.23 -1.26 0.13 115.64 114.85 1x0o s THR 94 Ca -0.04 -0.96 -0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1x0o s THR 94 Cb -0.06 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1x0o s THR 94 CO -0.01 -0.30 1.58 0.12 -0.54 0.00 0.00 174.62 175.47 1x0o s PHE 95 N 1.53 2.07 -0.11 3.99 2.19 -0.48 -4.01 117.98 123.17 1x0o s PHE 95 Ca 0.02 0.58 -0.18 0.00 0.33 0.00 0.00 56.93 57.67 1x0o s PHE 95 Cb -0.20 -4.28 -0.04 0.00 -1.31 0.00 0.00 43.02 37.19 1x0o s PHE 95 CO 0.06 -2.22 0.49 -0.65 1.83 0.00 0.00 175.22 174.72 1x0o s GLN 96 N 5.84 4.33 -0.08 10.12 -0.21 -1.25 -0.01 119.66 138.39 1x0o s GLN 96 Ca 0.61 0.47 -0.29 0.00 0.02 0.00 0.00 55.36 56.16 1x0o s GLN 96 Cb -0.13 -3.43 -0.06 0.00 1.00 0.00 0.00 33.01 30.39 1x0o s GLN 96 CO 0.26 0.17 1.83 1.21 -2.12 0.00 0.00 175.29 176.64 1x0o s ASN 97 N 0.57 6.35 0.25 5.90 3.84 0.26 -4.85 114.94 127.25 1x0o s ASN 97 Ca 0.26 2.20 0.16 0.00 0.21 0.00 0.00 52.86 55.69 1x0o s ASN 97 Cb -0.15 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 38.90 1x0o s ASN 97 CO 0.11 -1.19 1.49 -0.81 -2.79 0.00 0.00 177.10 173.91 1x0o n PRO 98 N 7.62 0.10 -0.08 0.43 -0.04 -1.26 0.74 135.00 142.51 1x0o n PRO 98 Ca 0.20 0.60 0.03 0.00 -0.04 0.00 0.00 63.50 64.29 1x0o n PRO 98 Cb 0.43 -1.86 0.07 0.00 -0.04 0.00 0.00 33.50 32.10 1x0o n PRO 98 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x0o n TYR 99 N -2.07 0.20 -0.09 0.54 4.01 -1.26 -4.64 117.16 113.85 1x0o n TYR 99 Ca -0.01 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.24 1x0o n TYR 99 Cb 0.04 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1x0o n TYR 99 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x0o n SER 100 N -0.04 0.00 0.00 7.72 2.88 -0.18 -5.02 113.62 118.98 1x0o n SER 100 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x0o n SER 100 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1x0o n SER 100 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1x0o n ASP 101 N 0.00 -0.00 -4.87 -3.46 9.92 0.23 -4.93 116.55 113.44 1x0o n ASP 101 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 1x0o n ASP 101 Cb 0.00 -1.59 -0.02 0.00 -0.64 0.00 0.00 41.12 38.87 1x0o n ASP 101 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1x0o s GLU 102 N -0.64 3.78 -0.39 -1.24 -1.05 -1.26 -4.69 118.70 113.23 1x0o s GLU 102 Ca 0.00 0.66 -0.22 0.00 -0.15 0.00 0.00 54.97 55.26 1x0o s GLU 102 Cb 0.00 -2.24 0.01 0.00 -0.44 0.00 0.00 34.13 31.46 1x0o s GLU 102 CO 0.00 -0.23 0.74 0.42 0.95 0.00 0.00 175.26 177.14 1x0o s ILE 103 N -2.64 4.75 0.12 1.83 -1.09 -1.26 -0.58 121.20 122.34 1x0o s ILE 103 Ca 0.54 0.68 -0.15 0.00 -2.23 0.00 0.00 60.65 59.49 1x0o s ILE 103 Cb -0.10 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 1x0o s ILE 103 CO 0.37 -0.48 1.54 -0.33 -1.23 0.00 0.00 174.94 174.81 1x0o h GLU 104 N 8.61 0.70 -1.90 2.79 5.08 -0.80 -3.49 114.58 125.57 1x0o h GLU 104 Ca -0.25 -0.25 0.37 0.00 -1.00 0.00 0.00 59.36 58.23 1x0o h GLU 104 Cb 1.10 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.21 1x0o h GLU 104 CO 0.90 0.82 0.94 1.52 -1.00 0.00 0.00 179.01 182.20 1x0o s TYR 105 N -4.88 0.01 -0.04 4.33 -0.85 -1.26 -4.99 117.35 109.66 1x0o s TYR 105 Ca -0.13 -0.08 -0.03 0.00 -0.52 0.00 0.00 57.07 56.31 1x0o s TYR 105 Cb 0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 1x0o s TYR 105 CO 0.80 -0.16 0.13 0.42 -1.52 0.00 0.00 175.55 175.22 1x0o s ILE 106 N -2.05 5.20 -0.24 -3.49 1.01 0.34 -1.37 121.20 120.60 1x0o s ILE 106 Ca 0.27 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1x0o s ILE 106 Cb 0.01 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.17 1x0o s ILE 106 CO -0.02 0.43 -0.13 -0.63 0.00 0.00 0.00 174.94 174.59 1x0o s ILE 107 N -1.18 2.17 -0.29 2.92 1.01 0.12 -0.35 121.20 125.61 1x0o s ILE 107 Ca 0.22 -1.43 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 1x0o s ILE 107 Cb -0.12 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.21 1x0o s ILE 107 CO 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 174.94 175.18 1x0o s THR 109 N 1.29 5.01 -0.25 0.00 2.01 -0.68 -0.98 115.64 122.04 1x0o s THR 109 Ca -0.03 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.33 1x0o s THR 109 Cb -0.19 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.38 1x0o s THR 109 CO -0.02 0.31 -0.10 0.20 -0.69 0.00 0.00 174.62 174.32 1x0o s ASN 110 N 0.49 4.27 -0.24 3.53 0.01 0.51 -0.24 114.94 123.27 1x0o s ASN 110 Ca 0.35 -1.14 -0.07 0.00 -0.71 0.00 0.00 52.86 51.28 1x0o s ASN 110 Cb -0.18 -1.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.86 1x0o s ASN 110 CO 0.17 -0.16 0.08 -0.89 -1.51 0.00 0.00 177.10 174.79 1x0o s THR 111 N 1.20 4.43 -0.18 1.60 2.01 -1.06 -1.52 115.64 122.13 1x0o s THR 111 Ca -0.04 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1x0o s THR 111 Cb -0.18 -3.06 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1x0o s THR 111 CO -0.06 0.35 0.93 0.21 -0.69 0.00 0.00 174.62 175.37 1x0o s ASN 112 N 1.46 7.05 0.00 3.53 3.04 -0.12 -1.44 114.94 128.47 1x0o s ASN 112 Ca 0.06 1.30 0.00 0.00 0.04 0.00 0.00 52.86 54.26 1x0o s ASN 112 Cb -0.15 -2.50 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 1x0o s ASN 112 CO 0.04 -0.50 0.00 0.52 -3.04 0.00 0.00 177.10 174.12 1x0o n VAL 113 N 4.92 0.00 -0.74 -5.21 0.31 -0.34 -4.82 118.33 112.45 1x0o n VAL 113 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 1x0o n VAL 113 Cb 0.48 -0.08 0.22 0.00 -0.91 0.00 0.00 33.84 33.55 1x0o n VAL 113 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1x0o n LYS 114 N 0.00 2.84 0.00 5.55 2.85 -1.26 -5.03 118.16 123.11 1x0o n LYS 114 Ca 0.00 -2.53 0.00 0.00 -1.05 0.00 0.00 58.31 54.73 1x0o n LYS 114 Cb 0.00 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 1x0o n LYS 114 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x0o n ASN 115 N -0.36 0.00 0.10 -5.58 3.02 -1.26 -3.44 115.26 107.74 1x0o n ASN 115 Ca 0.40 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.77 1x0o n ASN 115 Cb 1.32 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 40.37 1x0o n ASN 115 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x0o h SER 116 N 6.09 0.64 -4.21 6.41 4.64 -1.87 0.52 113.55 125.77 1x0o h SER 116 Ca 0.00 -0.61 -0.39 0.00 -0.47 0.00 0.00 61.79 60.32 1x0o h SER 116 Cb 0.00 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1x0o h SER 116 CO 0.00 1.44 -0.56 -1.20 -0.87 0.00 0.00 176.83 175.64 1x0o n SER 117 N -3.69 -5.63 -4.19 4.97 7.64 -1.22 -4.70 113.62 106.79 1x0o n SER 117 Ca -0.11 -0.20 -0.40 0.00 1.01 0.00 0.00 58.87 59.18 1x0o n SER 117 Cb 0.97 -4.60 -0.04 0.00 -1.01 0.00 0.00 64.21 59.52 1x0o n SER 117 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1x0o s GLN 118 N -5.54 3.60 0.00 1.43 0.74 -1.26 -5.19 119.66 113.44 1x0o s GLN 118 Ca 0.22 -3.22 0.31 0.00 0.05 0.00 0.00 55.36 52.72 1x0o s GLN 118 Cb -0.10 -4.17 1.76 0.00 1.10 0.00 0.00 33.01 31.60 1x0o s GLN 118 CO 0.27 -1.25 2.15 -0.85 -0.55 0.00 0.00 175.29 175.06