#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oh1 s SER 2 N 0.00 -0.56 0.00 1.61 0.15 -1.26 -5.06 113.70 108.58 1oh1 s SER 2 Ca 0.00 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1oh1 s SER 2 Cb 0.00 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1oh1 s SER 2 CO 0.00 -0.40 0.00 0.80 1.20 0.00 0.00 173.24 174.84 1oh1 n MET 3 N 1.37 0.00 -1.67 5.44 0.00 -1.26 -5.05 117.12 115.94 1oh1 n MET 3 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.23 1oh1 n MET 3 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.72 1oh1 n MET 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1oh1 n GLU 4 N -0.64 1.40 -3.03 2.12 -0.58 -1.26 -4.56 120.64 114.10 1oh1 n GLU 4 Ca 0.00 -2.16 0.04 0.00 -0.42 0.00 0.00 57.16 54.62 1oh1 n GLU 4 Cb 0.00 -3.43 0.00 0.00 -0.57 0.00 0.00 31.44 27.44 1oh1 n GLU 4 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1oh1 s GLN 5 N 6.16 0.20 -0.42 3.49 0.74 -1.26 -5.07 119.66 123.50 1oh1 s GLN 5 Ca 0.66 0.08 -0.09 0.00 0.05 0.00 0.00 55.36 56.06 1oh1 s GLN 5 Cb 0.05 0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.23 1oh1 s GLN 5 CO 0.15 -0.34 0.51 0.34 -0.55 0.00 0.00 175.29 175.39 1oh1 n PHE 6 N 4.63 -2.68 -3.41 1.67 7.35 0.14 -4.96 117.46 120.21 1oh1 n PHE 6 Ca 0.08 1.06 -0.45 0.00 -0.76 0.00 0.00 57.45 57.39 1oh1 n PHE 6 Cb 0.59 -3.59 -0.03 0.00 0.35 0.00 0.00 39.48 36.80 1oh1 n PHE 6 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1oh1 s GLU 7 N -2.51 3.51 -0.31 -4.13 2.02 -0.23 -5.00 118.70 112.06 1oh1 s GLU 7 Ca 0.14 -2.63 -0.08 0.00 0.02 0.00 0.00 54.97 52.42 1oh1 s GLU 7 Cb -0.04 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.88 1oh1 s GLU 7 CO 0.61 -1.26 0.12 -1.17 0.02 0.00 0.00 175.26 173.58 1oh1 s LEU 8 N -0.16 4.02 0.11 1.80 0.20 -1.26 -0.15 118.68 123.24 1oh1 s LEU 8 Ca 0.20 -0.62 0.09 0.00 0.69 0.00 0.00 54.13 54.49 1oh1 s LEU 8 Cb -0.12 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.66 1oh1 s LEU 8 CO -0.08 -0.20 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.19 1oh1 s PHE 9 N 1.56 1.93 -0.10 5.38 0.08 0.35 -5.01 117.98 122.17 1oh1 s PHE 9 Ca 0.04 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1oh1 s PHE 9 Cb -0.17 -1.05 0.05 0.00 -0.57 0.00 0.00 43.02 41.29 1oh1 s PHE 9 CO 0.05 0.25 0.21 -1.12 -0.10 0.00 0.00 175.22 174.50 1oh1 s SER 10 N -2.00 0.49 0.28 1.36 0.01 -1.26 -1.29 113.70 111.29 1oh1 s SER 10 Ca 0.09 0.45 -0.25 0.00 1.31 0.00 0.00 55.95 57.55 1oh1 s SER 10 Cb -0.10 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 66.50 1oh1 s SER 10 CO 0.05 -0.23 0.89 -0.51 0.41 0.00 0.00 173.24 173.85 1oh1 s ILE 11 N 2.24 4.27 0.33 1.44 2.07 -0.40 -2.60 121.20 128.54 1oh1 s ILE 11 Ca 0.01 1.76 0.38 0.00 -1.41 0.00 0.00 60.65 61.39 1oh1 s ILE 11 Cb -0.12 -4.04 0.40 0.00 0.13 0.00 0.00 42.46 38.83 1oh1 s ILE 11 CO -0.07 0.23 2.14 -0.78 -1.91 0.00 0.00 174.94 174.55 1oh1 h ASP 12 N 3.44 0.00 -6.07 4.50 3.58 -1.03 -1.72 116.42 119.13 1oh1 h ASP 12 Ca -0.47 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 56.59 1oh1 h ASP 12 Cb 1.19 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.35 1oh1 h ASP 12 CO 0.66 0.00 -0.92 1.17 -2.88 0.00 0.00 179.24 177.26 1oh1 n LYS 13 N -2.97 -1.54 0.00 0.28 0.00 -1.26 -4.56 118.16 108.11 1oh1 n LYS 13 Ca -0.01 0.54 0.04 0.00 0.00 0.00 0.00 58.31 58.88 1oh1 n LYS 13 Cb 0.16 -4.50 0.19 0.00 0.00 0.00 0.00 35.03 30.88 1oh1 n LYS 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1oh1 n PHE 14 N -4.00 0.00 0.00 5.64 7.35 -1.26 -4.84 117.46 120.35 1oh1 n PHE 14 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1oh1 n PHE 14 Cb 0.60 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.93 1oh1 n PHE 14 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1oh1 n LYS 15 N -1.50 0.00 0.00 -4.13 4.81 -1.26 -5.03 118.16 111.06 1oh1 n LYS 15 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1oh1 n LYS 15 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 1oh1 n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1oh1 n ASN 17 N -3.11 -0.03 0.00 0.00 5.03 -1.26 -5.07 115.26 110.82 1oh1 n ASN 17 Ca 0.00 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.77 1oh1 n ASN 17 Cb 0.00 0.23 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1oh1 n ASN 17 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1oh1 n SER 18 N -3.20 0.95 -2.02 6.41 3.41 -1.26 -5.09 113.62 112.83 1oh1 n SER 18 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1oh1 n SER 18 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1oh1 n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1oh1 n GLU 19 N 0.00 -5.58 0.00 4.33 4.71 -1.26 -4.98 120.64 117.87 1oh1 n GLU 19 Ca 0.00 3.98 0.00 0.00 -0.01 0.00 0.00 57.16 61.13 1oh1 n GLU 19 Cb 0.00 -4.36 0.00 0.00 -1.01 0.00 0.00 31.44 26.07 1oh1 n GLU 19 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oh1 n ALA 20 N 1.15 0.00 -0.92 0.62 0.00 -1.26 -4.97 120.51 115.13 1oh1 n ALA 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1oh1 n ALA 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1oh1 n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oh1 n LYS 21 N 0.00 0.00 -0.25 0.00 4.01 -1.26 -0.01 118.16 120.65 1oh1 n LYS 21 Ca 0.00 0.27 0.26 0.00 -0.51 0.00 0.00 58.31 58.33 1oh1 n LYS 21 Cb 0.00 -1.04 0.63 0.00 -0.51 0.00 0.00 35.03 34.11 1oh1 n LYS 21 CO 0.00 0.00 0.00 0.10 -1.11 0.00 0.00 177.40 176.39 1oh1 h TYR 22 N 0.00 0.28 0.63 2.13 -0.00 -1.93 0.38 116.97 118.46 1oh1 h TYR 22 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.71 1oh1 h TYR 22 Cb 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 36.73 36.65 1oh1 h TYR 22 CO -0.02 0.05 -0.30 -0.92 -0.00 0.00 0.00 178.16 176.96 1oh1 h TYR 23 N 0.19 -0.78 -0.78 0.10 3.20 -1.67 -1.15 116.97 116.08 1oh1 h TYR 23 Ca 0.49 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.36 1oh1 h TYR 23 Cb 1.60 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 40.08 1oh1 h TYR 23 CO -0.00 -0.49 0.51 1.37 -1.64 0.00 0.00 178.16 177.91 1oh1 h LEU 24 N -0.99 0.87 -1.83 2.82 8.10 0.14 0.23 115.31 124.65 1oh1 h LEU 24 Ca -0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 57.88 57.86 1oh1 h LEU 24 Cb 0.65 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1oh1 h LEU 24 CO 0.14 0.62 -0.14 -1.13 -4.11 0.00 0.00 178.44 173.82 1oh1 h ASN 25 N 1.03 0.00 0.00 0.17 -1.24 -0.95 -2.80 115.58 111.79 1oh1 h ASN 25 Ca 0.29 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1oh1 h ASN 25 Cb -0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1oh1 h ASN 25 CO -0.08 0.14 -0.74 -0.38 -1.29 0.00 0.00 177.43 175.09 1oh1 n ILE 26 N -3.86 0.26 0.11 2.57 -0.00 -0.44 -4.88 119.36 113.12 1oh1 n ILE 26 Ca -0.02 0.09 -0.23 0.00 -0.00 0.00 0.00 62.75 62.58 1oh1 n ILE 26 Cb 0.24 -1.46 -0.15 0.00 -0.00 0.00 0.00 39.64 38.27 1oh1 n ILE 26 CO 0.00 0.00 0.00 -0.29 -0.00 0.00 0.00 176.55 176.26 1oh1 h ILE 27 N 0.00 1.30 -0.74 1.39 2.10 -0.73 -3.43 117.51 117.41 1oh1 h ILE 27 Ca 0.00 -2.57 -0.53 0.00 1.08 0.00 0.00 64.86 62.84 1oh1 h ILE 27 Cb 0.74 2.91 -0.07 0.00 -1.09 0.00 0.00 36.82 39.31 1oh1 h ILE 27 CO 0.00 0.77 1.65 -0.70 -1.08 0.00 0.00 178.15 178.79 1oh1 s GLU 28 N -2.75 3.35 0.00 2.19 -6.30 -1.06 -3.92 118.70 110.21 1oh1 s GLU 28 Ca -0.10 -1.51 0.00 0.00 -2.50 0.00 0.00 54.97 50.86 1oh1 s GLU 28 Cb 0.04 -5.39 0.00 0.00 0.00 0.00 0.00 34.13 28.78 1oh1 s GLU 28 CO 0.93 -2.91 0.00 0.41 0.02 0.00 0.00 175.26 173.71 1oh1 n GLY 29 N 5.79 0.09 3.08 -1.50 0.00 -0.73 -4.76 105.19 107.16 1oh1 n GLY 29 Ca 0.45 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1oh1 n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1oh1 s GLU 30 N -2.00 2.03 0.06 1.61 -1.05 -1.25 -1.68 118.70 116.42 1oh1 s GLU 30 Ca 0.00 -0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 53.97 1oh1 s GLU 30 Cb 0.00 -1.63 -0.05 0.00 -0.44 0.00 0.00 34.13 32.00 1oh1 s GLU 30 CO 0.00 0.09 1.14 -1.58 0.95 0.00 0.00 175.26 175.86 1oh1 s TRP 31 N 0.51 3.50 0.23 4.83 0.52 -0.48 -4.66 118.94 123.41 1oh1 s TRP 31 Ca -0.14 1.42 0.00 0.00 0.02 0.00 0.00 56.10 57.40 1oh1 s TRP 31 Cb -0.16 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 28.82 1oh1 s TRP 31 CO 0.05 -0.93 0.00 0.72 0.02 0.00 0.00 176.95 176.81 1oh1 n HIS 32 N 3.73 -3.68 -2.22 -1.98 8.25 -1.26 -3.76 115.22 114.30 1oh1 n HIS 32 Ca 0.08 2.05 -0.32 0.00 -0.26 0.00 0.00 57.72 59.26 1oh1 n HIS 32 Cb 0.47 -3.21 -0.04 0.00 1.12 0.00 0.00 29.99 28.33 1oh1 n HIS 32 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1oh1 s PRO 33 N -1.99 2.94 -1.83 -0.41 0.04 -1.26 -4.26 135.00 128.23 1oh1 s PRO 33 Ca 0.00 -1.28 0.00 0.00 0.04 0.00 0.00 61.00 59.76 1oh1 s PRO 33 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1oh1 s PRO 33 CO 0.00 -3.38 0.00 1.04 0.04 0.00 0.00 177.00 174.70 1oh1 n GLN 34 N 8.41 -1.63 0.00 4.56 6.02 -1.26 -4.84 117.38 128.64 1oh1 n GLN 34 Ca 0.45 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.47 1oh1 n GLN 34 Cb 0.47 -5.56 0.00 0.00 1.02 0.00 0.00 30.24 26.17 1oh1 n GLN 34 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1oh1 n ASP 35 N -1.64 2.39 -2.78 1.08 9.92 -1.26 -2.84 116.55 121.42 1oh1 n ASP 35 Ca -0.21 -1.85 -0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1oh1 n ASP 35 Cb 0.66 -0.46 0.01 0.00 -0.64 0.00 0.00 41.12 40.69 1oh1 n ASP 35 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1oh1 s LEU 36 N 0.00 -0.51 -1.67 0.64 2.96 -1.26 -5.01 118.68 113.83 1oh1 s LEU 36 Ca 0.00 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1oh1 s LEU 36 Cb 0.00 0.66 0.10 0.00 0.50 0.00 0.00 46.19 47.44 1oh1 s LEU 36 CO 0.00 -0.04 0.30 -3.20 -1.32 0.00 0.00 176.35 172.09 1oh1 n ASN 37 N 3.32 -0.43 -2.46 3.68 4.05 -1.23 -0.18 115.26 122.02 1oh1 n ASN 37 Ca 0.09 -1.23 -0.07 0.00 0.45 0.00 0.00 54.58 53.82 1oh1 n ASN 37 Cb 0.63 -1.79 -0.00 0.00 1.23 0.00 0.00 39.78 39.84 1oh1 n ASN 37 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1oh1 n ASP 38 N -2.73 -2.61 -2.71 1.20 5.68 -1.13 -4.91 116.55 109.34 1oh1 n ASP 38 Ca -0.14 0.33 -0.24 0.00 -0.50 0.00 0.00 54.79 54.24 1oh1 n ASP 38 Cb 0.60 -2.29 -0.01 0.00 -1.14 0.00 0.00 41.12 38.28 1oh1 n ASP 38 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1oh1 n SER 39 N -1.65 3.87 -3.13 -1.12 3.41 0.75 -4.93 113.62 110.83 1oh1 n SER 39 Ca -0.08 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 1oh1 n SER 39 Cb 0.56 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1oh1 n SER 39 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1oh1 n PRO 40 N -0.29 1.54 -3.50 4.33 -0.02 -1.26 -0.68 135.00 135.13 1oh1 n PRO 40 Ca 0.31 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1oh1 n PRO 40 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 34.00 1oh1 n PRO 40 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1oh1 s LEU 41 N 0.00 5.62 -0.21 2.45 2.96 -1.25 -1.06 118.68 127.19 1oh1 s LEU 41 Ca 0.00 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 52.22 1oh1 s LEU 41 Cb 0.00 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1oh1 s LEU 41 CO 0.00 -0.67 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.47 1oh1 s LYS 42 N 1.46 2.89 -0.00 1.98 2.20 0.79 -1.38 119.74 127.69 1oh1 s LYS 42 Ca 0.04 -0.91 0.08 0.00 -0.36 0.00 0.00 55.97 54.81 1oh1 s LYS 42 Cb -0.26 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1oh1 s LYS 42 CO 0.02 -0.30 -0.24 0.12 -0.36 0.00 0.00 175.35 174.59 1oh1 s PHE 43 N 1.29 2.13 0.29 4.03 2.19 -0.68 -0.50 117.98 126.74 1oh1 s PHE 43 Ca 0.02 -0.40 0.09 0.00 0.33 0.00 0.00 56.93 56.97 1oh1 s PHE 43 Cb -0.15 -1.34 -0.06 0.00 -1.31 0.00 0.00 43.02 40.16 1oh1 s PHE 43 CO -0.09 0.01 -0.12 -1.50 1.83 0.00 0.00 175.22 175.34 1oh1 s ILE 44 N -0.63 2.10 -0.10 3.12 1.10 -0.41 -1.78 121.20 124.60 1oh1 s ILE 44 Ca 0.09 -2.24 0.01 0.00 -0.51 0.00 0.00 60.65 58.00 1oh1 s ILE 44 Cb -0.09 -2.42 -0.02 0.00 0.15 0.00 0.00 42.46 40.07 1oh1 s ILE 44 CO -0.00 -0.33 -0.12 -0.76 -2.11 0.00 0.00 174.94 171.62 1oh1 s LEU 45 N -3.50 2.81 0.54 8.50 1.02 -1.26 -1.28 118.68 125.50 1oh1 s LEU 45 Ca 0.30 -0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.22 1oh1 s LEU 45 Cb 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.60 1oh1 s LEU 45 CO 0.14 0.25 0.00 -1.54 0.02 0.00 0.00 176.35 175.22 1oh1 n SER 46 N 2.95 -8.50 0.00 2.29 3.41 -0.65 -4.70 113.62 108.42 1oh1 n SER 46 Ca -0.18 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1oh1 n SER 46 Cb 0.53 -4.83 0.00 0.00 -0.26 0.00 0.00 64.21 59.64 1oh1 n SER 46 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1oh1 n THR 47 N -4.34 0.00 -3.63 6.66 -1.04 -1.26 -4.79 114.28 105.88 1oh1 n THR 47 Ca -0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.71 1oh1 n THR 47 Cb 0.69 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.16 1oh1 n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1oh1 n SER 48 N 2.12 -2.01 0.00 8.00 2.88 -1.26 -2.61 113.62 120.74 1oh1 n SER 48 Ca 0.00 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1oh1 n SER 48 Cb 0.00 -1.76 0.00 0.00 -0.75 0.00 0.00 64.21 61.70 1oh1 n SER 48 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1oh1 n ASP 49 N -2.12 0.00 -3.02 -3.46 2.03 -1.26 -4.38 116.55 104.33 1oh1 n ASP 49 Ca 0.05 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.38 1oh1 n ASP 49 Cb 0.49 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1oh1 n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1oh1 s ASP 50 N 0.00 -0.94 0.57 1.67 2.15 -1.07 -5.18 116.67 113.87 1oh1 s ASP 50 Ca 0.00 -0.34 -0.18 0.00 0.43 0.00 0.00 52.55 52.47 1oh1 s ASP 50 Cb 0.00 1.28 -0.05 0.00 -0.30 0.00 0.00 42.92 43.85 1oh1 s ASP 50 CO 0.00 -0.12 1.08 -0.94 -0.17 0.00 0.00 175.17 175.02 1oh1 s SER 51 N 2.13 5.79 0.00 -0.34 1.04 -1.07 -5.02 113.70 116.22 1oh1 s SER 51 Ca 0.16 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.55 1oh1 s SER 51 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1oh1 s SER 51 CO -0.14 -1.16 0.00 0.47 0.98 0.00 0.00 173.24 173.39 1oh1 n ASP 52 N -1.67 2.43 -4.70 7.02 8.00 -1.24 -4.91 116.55 121.48 1oh1 n ASP 52 Ca 0.10 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.18 1oh1 n ASP 52 Cb 0.52 0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 1oh1 n ASP 52 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1oh1 s TYR 53 N -1.30 3.45 -0.31 1.24 2.02 -1.07 -2.06 117.35 119.32 1oh1 s TYR 53 Ca 0.00 1.46 -0.13 0.00 -0.37 0.00 0.00 57.07 58.04 1oh1 s TYR 53 Cb 0.00 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 1oh1 s TYR 53 CO 0.00 -0.66 0.26 0.42 -1.57 0.00 0.00 175.55 174.00 1oh1 s ILE 54 N 1.64 5.26 -0.66 2.71 1.01 0.45 -0.34 121.20 131.27 1oh1 s ILE 54 Ca 0.53 0.09 -0.26 0.00 0.00 0.00 0.00 60.65 61.01 1oh1 s ILE 54 Cb -0.23 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1oh1 s ILE 54 CO 0.24 0.10 2.01 0.00 0.00 0.00 0.00 174.94 177.29 1oh1 n LYS 56 N 9.07 0.00 -3.66 0.00 0.00 -1.11 -4.71 118.16 117.75 1oh1 n LYS 56 Ca 0.29 0.21 -0.04 0.00 0.00 0.00 0.00 58.31 58.76 1oh1 n LYS 56 Cb 0.51 -1.10 -0.01 0.00 0.00 0.00 0.00 35.03 34.42 1oh1 n LYS 56 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1oh1 s TYR 57 N -1.53 -0.18 0.18 5.64 1.13 -1.08 -4.94 117.35 116.57 1oh1 s TYR 57 Ca 0.00 -0.04 -0.10 0.00 -1.41 0.00 0.00 57.07 55.52 1oh1 s TYR 57 Cb 0.00 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.39 1oh1 s TYR 57 CO 0.00 -0.65 0.51 0.96 -2.51 0.00 0.00 175.55 173.86 1oh1 s ILE 58 N -3.09 4.96 -0.34 -3.49 -5.25 -1.26 -1.84 121.20 110.89 1oh1 s ILE 58 Ca 0.10 0.50 -0.01 0.00 -0.99 0.00 0.00 60.65 60.25 1oh1 s ILE 58 Cb -0.00 -3.65 0.08 0.00 2.95 0.00 0.00 42.46 41.84 1oh1 s ILE 58 CO -0.02 0.06 0.06 0.20 -1.79 0.00 0.00 174.94 173.45 1oh1 s ASN 59 N -2.15 4.94 0.00 4.36 0.02 0.12 -4.94 114.94 117.29 1oh1 s ASN 59 Ca 0.43 -1.66 0.00 0.00 -1.02 0.00 0.00 52.86 50.61 1oh1 s ASN 59 Cb -0.12 -1.72 0.00 0.00 0.02 0.00 0.00 41.25 39.43 1oh1 s ASN 59 CO 0.21 -0.36 0.21 0.41 0.02 0.00 0.00 177.10 177.59 1oh1 n THR 60 N 4.53 0.00 0.00 1.60 -1.04 -1.26 -2.20 114.28 115.91 1oh1 n THR 60 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1oh1 n THR 60 Cb 0.42 -0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1oh1 n THR 60 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1oh1 n GLU 61 N -0.14 0.00 -3.16 -2.82 2.13 -1.26 -4.61 120.64 110.77 1oh1 n GLU 61 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1oh1 n GLU 61 Cb 0.03 -0.65 -0.06 0.00 0.27 0.00 0.00 31.44 31.03 1oh1 n GLU 61 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1oh1 n HIS 62 N -0.48 3.36 -3.87 4.31 8.25 -1.25 -4.97 115.22 120.57 1oh1 n HIS 62 Ca 0.00 -4.02 -0.24 0.00 -0.26 0.00 0.00 57.72 53.20 1oh1 n HIS 62 Cb 0.00 -0.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 1oh1 n HIS 62 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1oh1 n LYS 63 N 0.32 -0.94 -4.40 -0.41 4.76 -1.22 -4.75 118.16 111.52 1oh1 n LYS 63 Ca 0.30 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.59 1oh1 n LYS 63 Cb 0.43 -2.66 -0.10 0.00 -1.84 0.00 0.00 35.03 30.85 1oh1 n LYS 63 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1oh1 s GLN 64 N -6.31 1.49 0.00 1.97 -2.07 -0.94 -4.35 119.66 109.45 1oh1 s GLN 64 Ca 0.01 -1.67 0.07 0.00 -1.82 0.00 0.00 55.36 51.95 1oh1 s GLN 64 Cb -0.00 -1.40 -0.02 0.00 -1.09 0.00 0.00 33.01 30.50 1oh1 s GLN 64 CO 0.75 0.24 -0.23 -1.17 -1.32 0.00 0.00 175.29 173.57 1oh1 s LEU 65 N -3.40 2.08 -0.20 2.60 0.20 -0.99 0.12 118.68 119.10 1oh1 s LEU 65 Ca 0.26 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.61 1oh1 s LEU 65 Cb -0.02 -1.14 -0.00 0.00 -0.43 0.00 0.00 46.19 44.60 1oh1 s LEU 65 CO 0.10 0.25 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.44 1oh1 s THR 66 N -0.60 3.05 0.10 3.68 2.01 -0.77 -2.59 115.64 120.52 1oh1 s THR 66 Ca 0.09 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1oh1 s THR 66 Cb -0.09 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1oh1 s THR 66 CO -0.00 0.46 -0.13 -1.48 -0.69 0.00 0.00 174.62 172.78 1oh1 s LEU 67 N 1.25 2.37 -0.06 4.42 -0.00 -0.01 -2.64 118.68 124.01 1oh1 s LEU 67 Ca 0.03 -0.76 0.04 0.00 -0.00 0.00 0.00 54.13 53.43 1oh1 s LEU 67 Cb -0.14 -0.49 0.00 0.00 -0.00 0.00 0.00 46.19 45.56 1oh1 s LEU 67 CO -0.04 -0.15 -0.17 -0.72 -0.00 0.00 0.00 176.35 175.27 1oh1 s TYR 68 N -1.99 1.80 -0.26 3.48 1.13 -0.50 0.12 117.35 121.12 1oh1 s TYR 68 Ca 0.06 -0.61 -0.23 0.00 -1.41 0.00 0.00 57.07 54.87 1oh1 s TYR 68 Cb -0.06 -1.23 -0.01 0.00 -1.10 0.00 0.00 41.96 39.56 1oh1 s TYR 68 CO 0.02 -0.25 0.78 1.21 -2.51 0.00 0.00 175.55 174.81 1oh1 s ASN 69 N 0.29 6.74 -0.06 -0.18 3.04 0.47 -0.41 114.94 124.83 1oh1 s ASN 69 Ca -0.10 0.89 0.08 0.00 0.04 0.00 0.00 52.86 53.76 1oh1 s ASN 69 Cb -0.14 -2.41 0.33 0.00 -1.54 0.00 0.00 41.25 37.49 1oh1 s ASN 69 CO 0.04 -0.51 1.12 1.17 -3.04 0.00 0.00 177.10 175.88 1oh1 n LYS 70 N 6.00 2.31 -0.74 0.43 4.81 -0.88 -3.55 118.16 126.55 1oh1 n LYS 70 Ca 0.04 -1.28 -0.01 0.00 -0.87 0.00 0.00 58.31 56.19 1oh1 n LYS 70 Cb 0.48 -1.59 0.24 0.00 0.02 0.00 0.00 35.03 34.18 1oh1 n LYS 70 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1oh1 n ASN 71 N 0.34 3.55 0.04 3.14 2.85 -1.26 -4.71 115.26 119.21 1oh1 n ASN 71 Ca 0.12 -3.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 1oh1 n ASN 71 Cb 0.50 -0.64 0.00 0.00 1.24 0.00 0.00 39.78 40.89 1oh1 n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1oh1 n ASN 72 N -0.71 -0.32 0.01 1.20 2.85 -1.25 -5.11 115.26 111.93 1oh1 n ASN 72 Ca 0.32 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.94 1oh1 n ASN 72 Cb 1.09 0.45 0.00 0.00 1.24 0.00 0.00 39.78 42.56 1oh1 n ASN 72 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1oh1 n SER 73 N -2.73 -0.25 -2.72 1.20 2.88 -1.26 -5.06 113.62 105.68 1oh1 n SER 73 Ca 0.00 0.49 -0.07 0.00 -1.33 0.00 0.00 58.87 57.97 1oh1 n SER 73 Cb 0.00 0.67 0.06 0.00 -0.75 0.00 0.00 64.21 64.19 1oh1 n SER 73 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1oh1 n SER 74 N -2.96 -2.26 -4.28 -3.46 2.88 -1.26 -4.87 113.62 97.40 1oh1 n SER 74 Ca 0.00 -2.70 -0.42 0.00 -1.33 0.00 0.00 58.87 54.41 1oh1 n SER 74 Cb 0.00 1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 64.77 1oh1 n SER 74 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1oh1 s ILE 75 N 0.46 4.62 -0.30 2.46 -1.09 -1.23 -0.94 121.20 125.17 1oh1 s ILE 75 Ca 0.30 -1.47 -0.11 0.00 -2.23 0.00 0.00 60.65 57.13 1oh1 s ILE 75 Cb 0.22 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1oh1 s ILE 75 CO -0.18 -0.68 0.20 0.54 -1.23 0.00 0.00 174.94 173.59 1oh1 s VAL 76 N 1.48 5.17 -0.10 2.92 0.11 0.55 -0.40 120.40 130.13 1oh1 s VAL 76 Ca 0.04 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1oh1 s VAL 76 Cb -0.26 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 1oh1 s VAL 76 CO 0.02 0.15 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.17 1oh1 s ILE 77 N 1.72 3.02 -0.23 7.04 1.01 0.12 -0.45 121.20 133.44 1oh1 s ILE 77 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1oh1 s ILE 77 Cb -0.17 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.11 1oh1 s ILE 77 CO 0.10 0.55 -0.13 -0.70 0.00 0.00 0.00 174.94 174.76 1oh1 s GLU 78 N -0.02 2.37 -0.01 2.79 2.12 -0.87 -0.83 118.70 124.26 1oh1 s GLU 78 Ca -0.04 -1.10 0.04 0.00 0.36 0.00 0.00 54.97 54.23 1oh1 s GLU 78 Cb -0.14 -2.70 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 1oh1 s GLU 78 CO 0.04 -0.45 -0.13 0.96 -0.54 0.00 0.00 175.26 175.15 1oh1 s ILE 79 N 1.22 0.99 -0.13 -3.70 -4.36 -1.07 -1.53 121.20 112.62 1oh1 s ILE 79 Ca -0.04 -0.55 -0.01 0.00 -0.26 0.00 0.00 60.65 59.79 1oh1 s ILE 79 Cb -0.17 -0.83 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1oh1 s ILE 79 CO -0.08 0.26 -0.10 0.12 0.24 0.00 0.00 174.94 175.39 1oh1 s PHE 80 N -0.32 2.88 -0.54 1.37 5.36 -0.95 -2.34 117.98 123.44 1oh1 s PHE 80 Ca 0.05 -0.46 0.04 0.00 -0.96 0.00 0.00 56.93 55.60 1oh1 s PHE 80 Cb -0.05 -1.85 0.14 0.00 -0.34 0.00 0.00 43.02 40.92 1oh1 s PHE 80 CO -0.00 -0.09 0.31 0.42 -1.46 0.00 0.00 175.22 174.39 1oh1 s ILE 81 N 0.19 2.34 0.00 3.12 1.09 -1.26 -2.69 121.20 123.99 1oh1 s ILE 81 Ca -0.06 -3.36 0.00 0.00 -1.10 0.00 0.00 60.65 56.14 1oh1 s ILE 81 Cb -0.15 -2.60 0.00 0.00 -1.06 0.00 0.00 42.46 38.65 1oh1 s ILE 81 CO 0.04 -0.88 0.00 -0.81 -0.10 0.00 0.00 174.94 173.19 1oh1 n PRO 82 N 2.94 0.00 -2.63 2.79 -0.04 -1.25 -4.65 135.00 132.15 1oh1 n PRO 82 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1oh1 n PRO 82 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 1oh1 n PRO 82 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1oh1 n ASN 83 N 0.00 0.00 -4.23 3.54 4.05 -1.26 -4.80 115.26 112.56 1oh1 n ASN 83 Ca 0.00 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.66 1oh1 n ASN 83 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 1oh1 n ASN 83 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1oh1 n ASP 84 N 0.00 -2.32 -2.82 1.20 2.03 -1.26 -3.13 116.55 110.24 1oh1 n ASP 84 Ca 0.00 -0.99 -0.03 0.00 0.52 0.00 0.00 54.79 54.28 1oh1 n ASP 84 Cb 0.00 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 1oh1 n ASP 84 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1oh1 n ASN 85 N -2.43 -7.81 -3.64 1.67 5.03 -1.26 -4.92 115.26 101.90 1oh1 n ASN 85 Ca 0.09 1.09 -0.03 0.00 0.87 0.00 0.00 54.58 56.60 1oh1 n ASN 85 Cb 0.47 -4.87 -0.07 0.00 -1.02 0.00 0.00 39.78 34.29 1oh1 n ASN 85 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1oh1 s LYS 86 N -1.82 0.33 -0.11 3.52 2.47 -1.18 -4.25 119.74 118.69 1oh1 s LYS 86 Ca 0.07 0.52 -0.24 0.00 -1.56 0.00 0.00 55.97 54.76 1oh1 s LYS 86 Cb -0.02 0.09 0.06 0.00 -1.46 0.00 0.00 37.83 36.50 1oh1 s LYS 86 CO 0.71 -0.06 0.57 -1.50 0.16 0.00 0.00 175.35 175.23 1oh1 s ILE 87 N 1.03 0.01 -0.03 5.43 2.07 0.39 -3.96 121.20 126.13 1oh1 s ILE 87 Ca -0.06 -0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.14 1oh1 s ILE 87 Cb -0.04 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 1oh1 s ILE 87 CO -0.13 -0.06 -0.22 -1.48 -1.91 0.00 0.00 174.94 171.15 1oh1 s LEU 88 N -0.66 2.02 -0.16 8.50 2.34 -1.09 -0.66 118.68 128.96 1oh1 s LEU 88 Ca -0.07 -0.42 -0.01 0.00 0.06 0.00 0.00 54.13 53.69 1oh1 s LEU 88 Cb -0.03 -1.15 -0.01 0.00 -0.56 0.00 0.00 46.19 44.44 1oh1 s LEU 88 CO 0.05 0.24 -0.12 -0.22 -1.06 0.00 0.00 176.35 175.24 1oh1 s LEU 89 N -0.30 2.69 -0.02 1.48 1.98 0.30 -2.23 118.68 122.58 1oh1 s LEU 89 Ca 0.03 -0.38 0.04 0.00 -2.89 0.00 0.00 54.13 50.93 1oh1 s LEU 89 Cb -0.10 -1.63 -0.01 0.00 0.66 0.00 0.00 46.19 45.11 1oh1 s LEU 89 CO 0.01 0.10 -0.14 -0.89 -1.89 0.00 0.00 176.35 173.54 1oh1 s THR 90 N 0.73 1.14 -0.09 3.68 2.01 -0.58 -1.78 115.64 120.76 1oh1 s THR 90 Ca -0.05 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.38 1oh1 s THR 90 Cb -0.15 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 1oh1 s THR 90 CO 0.02 0.33 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.53 1oh1 s ILE 91 N -0.25 2.01 0.10 1.82 2.07 -1.26 -2.04 121.20 123.65 1oh1 s ILE 91 Ca 0.04 -1.00 -0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1oh1 s ILE 91 Cb -0.07 -1.73 -0.03 0.00 0.13 0.00 0.00 42.46 40.76 1oh1 s ILE 91 CO -0.00 0.55 0.09 -0.04 -1.91 0.00 0.00 174.94 173.63 1oh1 s MET 92 N 0.24 0.84 -0.06 3.50 -1.94 0.41 -2.70 119.30 119.60 1oh1 s MET 92 Ca -0.15 -1.22 0.01 0.00 -1.71 0.00 0.00 55.69 52.62 1oh1 s MET 92 Cb -0.17 0.27 0.02 0.00 2.01 0.00 0.00 34.83 36.97 1oh1 s MET 92 CO 0.08 -0.24 -0.06 1.21 -0.01 0.00 0.00 175.02 175.99 1oh1 s ASN 93 N -2.95 1.28 0.62 3.03 3.84 0.08 -0.33 114.94 120.50 1oh1 s ASN 93 Ca 0.13 -0.18 0.35 0.00 0.21 0.00 0.00 52.86 53.37 1oh1 s ASN 93 Cb 0.06 -0.57 2.06 0.00 -0.55 0.00 0.00 41.25 42.25 1oh1 s ASN 93 CO -0.05 -0.04 2.30 0.74 -2.79 0.00 0.00 177.10 177.25 1oh1 h THR 94 N 6.11 0.32 0.00 -5.21 2.02 -1.36 -1.59 112.91 113.20 1oh1 h THR 94 Ca -0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1oh1 h THR 94 Cb 1.16 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1oh1 h THR 94 CO 0.46 0.00 -0.41 -0.62 0.37 0.00 0.00 175.52 175.31 1oh1 n GLU 95 N -3.55 1.43 0.00 6.66 4.71 -1.26 -5.08 120.64 123.54 1oh1 n GLU 95 Ca -0.03 -3.06 0.00 0.00 -0.01 0.00 0.00 57.16 54.07 1oh1 n GLU 95 Cb 0.08 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1oh1 n GLU 95 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oh1 n ALA 96 N -1.10 0.00 -2.41 0.62 0.00 -0.60 -5.11 120.51 111.91 1oh1 n ALA 96 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.47 1oh1 n ALA 96 Cb 0.70 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.23 1oh1 n ALA 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oh1 n LEU 97 N 0.00 0.00 0.00 0.00 4.32 -1.26 -4.57 117.00 115.49 1oh1 n LEU 97 Ca 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 1oh1 n LEU 97 Cb 0.00 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1oh1 n LEU 97 CO 0.00 -0.82 0.00 0.61 -1.22 0.00 0.00 177.39 175.96 1oh1 n GLY 98 N 0.21 -0.74 4.12 -0.72 0.00 -1.26 -0.74 105.19 106.06 1oh1 n GLY 98 Ca 0.10 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1oh1 n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1oh1 n THR 99 N 2.47 -1.71 0.13 2.61 5.66 -1.10 -4.83 114.28 117.51 1oh1 n THR 99 Ca 0.00 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1oh1 n THR 99 Cb 0.00 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.26 1oh1 n THR 99 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1oh1 n SER 100 N -2.23 0.03 0.00 1.09 2.88 -1.26 -5.06 113.62 109.07 1oh1 n SER 100 Ca -0.20 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1oh1 n SER 100 Cb 0.58 0.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 1oh1 n SER 100 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1oh1 n PRO 101 N -3.46 0.00 -2.40 -1.46 -0.04 -1.26 -5.06 135.00 121.32 1oh1 n PRO 101 Ca 0.00 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.56 1oh1 n PRO 101 Cb 0.00 -0.87 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1oh1 n PRO 101 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1oh1 n ARG 102 N -0.83 -4.67 -3.86 0.54 1.74 -1.24 -5.02 116.66 103.32 1oh1 n ARG 102 Ca 0.00 3.41 -0.36 0.00 -0.77 0.00 0.00 57.85 60.13 1oh1 n ARG 102 Cb 0.00 -4.44 -0.13 0.00 -1.02 0.00 0.00 32.46 26.86 1oh1 n ARG 102 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1oh1 s MET 103 N -0.56 2.98 -0.55 5.56 1.75 -0.73 -4.93 119.30 122.82 1oh1 s MET 103 Ca -0.06 -0.90 -0.09 0.00 -1.25 0.00 0.00 55.69 53.38 1oh1 s MET 103 Cb 0.00 -3.18 0.14 0.00 2.84 0.00 0.00 34.83 34.63 1oh1 s MET 103 CO 0.16 -0.41 0.43 0.99 -0.65 0.00 0.00 175.02 175.54 1oh1 s THR 104 N 1.42 4.36 -0.02 10.11 2.01 -1.26 -0.54 115.64 131.71 1oh1 s THR 104 Ca 0.01 -2.08 0.07 0.00 0.31 0.00 0.00 61.69 60.01 1oh1 s THR 104 Cb -0.17 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1oh1 s THR 104 CO -0.01 -0.83 -0.23 0.72 -0.69 0.00 0.00 174.62 173.58 1oh1 s PHE 105 N 0.95 2.43 0.07 4.92 -0.71 0.16 -4.95 117.98 120.85 1oh1 s PHE 105 Ca 0.09 -0.36 0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1oh1 s PHE 105 Cb -0.23 -1.53 -0.04 0.00 -1.21 0.00 0.00 43.02 40.02 1oh1 s PHE 105 CO -0.02 0.03 -0.02 0.96 -1.34 0.00 0.00 175.22 174.83 1oh1 s ILE 106 N -0.66 3.94 -1.04 -4.49 -4.36 -1.26 -0.46 121.20 112.87 1oh1 s ILE 106 Ca 0.11 -0.96 -0.23 0.00 -0.26 0.00 0.00 60.65 59.31 1oh1 s ILE 106 Cb -0.10 -2.85 -0.13 0.00 1.25 0.00 0.00 42.46 40.64 1oh1 s ILE 106 CO -0.00 0.17 1.93 1.17 0.24 0.00 0.00 174.94 178.45 1oh1 n LYS 107 N 0.75 1.42 0.00 0.37 0.00 -1.26 -4.18 118.16 115.27 1oh1 n LYS 107 Ca -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 58.31 55.98 1oh1 n LYS 107 Cb 0.52 -3.50 0.00 0.00 0.00 0.00 0.00 35.03 32.05 1oh1 n LYS 107 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1oh1 n HIS 108 N 12.87 0.00 -0.89 5.64 8.25 -1.26 -4.68 115.22 135.15 1oh1 n HIS 108 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1oh1 n HIS 108 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1oh1 n HIS 108 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15