#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohs s ASN 2 N 0.00 1.92 0.39 7.83 0.01 -1.26 -4.61 114.94 119.23 1ohs s ASN 2 Ca 0.00 -0.32 -0.04 0.00 -0.71 0.00 0.00 52.86 51.79 1ohs s ASN 2 Cb 0.00 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.74 1ohs s ASN 2 CO 0.00 0.03 0.66 0.42 -1.51 0.00 0.00 177.10 176.70 1ohs s THR 3 N 0.70 4.99 0.23 1.60 -4.23 -1.26 -4.66 115.64 113.01 1ohs s THR 3 Ca -0.14 -0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 1ohs s THR 3 Cb -0.16 -3.83 0.09 0.00 1.34 0.00 0.00 72.50 69.95 1ohs s THR 3 CO 0.03 -0.62 1.72 -0.65 -0.54 0.00 0.00 174.62 174.55 1ohs h PRO 4 N 0.77 0.88 -0.76 3.99 0.11 -2.00 -2.41 132.00 132.57 1ohs h PRO 4 Ca -0.48 -0.26 0.04 0.00 0.11 0.00 0.00 66.00 65.41 1ohs h PRO 4 Cb 1.21 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1ohs h PRO 4 CO 0.63 0.88 0.47 0.93 -0.21 0.00 0.00 178.00 180.70 1ohs h GLU 5 N 0.81 0.88 0.53 1.05 3.07 -1.97 -0.21 114.58 118.75 1ohs h GLU 5 Ca 0.15 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 1ohs h GLU 5 Cb 0.51 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1ohs h GLU 5 CO 0.03 0.58 -0.26 1.25 -1.40 0.00 0.00 179.01 179.21 1ohs h HIS 6 N 0.91 -0.66 -0.64 4.33 2.76 -1.85 -0.49 115.15 119.50 1ohs h HIS 6 Ca 0.31 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1ohs h HIS 6 Cb 0.05 0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 1ohs h HIS 6 CO -0.04 -0.37 0.43 0.52 -1.30 0.00 0.00 177.93 177.17 1ohs h MET 7 N -0.82 0.84 -0.42 5.26 2.86 -1.25 -0.18 114.93 121.21 1ohs h MET 7 Ca -0.07 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1ohs h MET 7 Cb 0.59 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1ohs h MET 7 CO 0.12 0.56 -0.16 1.15 1.06 0.00 0.00 176.91 179.63 1ohs h THR 8 N 0.87 1.28 -0.69 2.22 2.02 -0.96 -1.88 112.91 115.77 1ohs h THR 8 Ca 0.24 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.05 1ohs h THR 8 Cb -0.09 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1ohs h THR 8 CO -0.05 0.44 0.15 0.00 0.37 0.00 0.00 175.52 176.42 1ohs h ALA 9 N 0.83 0.91 -0.67 6.16 0.00 -0.43 -1.69 119.26 124.38 1ohs h ALA 9 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ohs h ALA 9 Cb 0.72 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ohs h ALA 9 CO 0.05 0.65 0.37 0.28 0.00 0.00 0.00 179.25 180.60 1ohs h VAL 10 N 1.05 1.21 -0.62 0.00 2.07 -0.91 0.19 116.25 119.23 1ohs h VAL 10 Ca 0.21 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ohs h VAL 10 Cb 0.40 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1ohs h VAL 10 CO 0.01 0.23 0.38 0.58 0.02 0.00 0.00 177.57 178.78 1ohs h VAL 11 N 0.91 1.18 -0.71 2.57 2.07 -1.01 0.91 116.25 122.17 1ohs h VAL 11 Ca 0.24 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1ohs h VAL 11 Cb 0.03 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1ohs h VAL 11 CO -0.04 0.19 0.21 1.56 0.02 0.00 0.00 177.57 179.50 1ohs h GLN 12 N 0.84 1.11 -0.18 1.57 4.20 -0.62 -1.84 115.11 120.19 1ohs h GLN 12 Ca 0.22 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1ohs h GLN 12 Cb -0.03 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1ohs h GLN 12 CO -0.04 0.95 -0.34 0.00 -0.67 0.00 0.00 178.83 178.73 1ohs h ARG 13 N 1.06 0.37 0.47 1.46 3.08 -0.19 -1.24 114.38 119.39 1ohs h ARG 13 Ca 0.23 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1ohs h ARG 13 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ohs h ARG 13 CO -0.00 0.67 -0.23 0.35 -1.07 0.00 0.00 179.97 179.69 1ohs h PHE 14 N 0.32 -0.59 -0.62 3.04 3.57 -0.34 0.96 116.94 123.28 1ohs h PHE 14 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ohs h PHE 14 Cb 0.76 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1ohs h PHE 14 CO 0.02 -0.34 0.39 0.28 -2.23 0.00 0.00 178.31 176.43 1ohs h VAL 15 N -0.68 1.11 -0.51 1.41 2.07 -1.25 -1.36 116.25 117.04 1ohs h VAL 15 Ca -0.06 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1ohs h VAL 15 Cb 0.51 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ohs h VAL 15 CO 0.11 0.14 0.32 0.00 0.02 0.00 0.00 177.57 178.16 1ohs h ALA 16 N 1.25 0.64 -0.60 1.67 0.00 -1.08 -1.36 119.26 119.78 1ohs h ALA 16 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ohs h ALA 16 Cb -0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ohs h ALA 16 CO -0.08 0.12 0.15 0.00 0.00 0.00 0.00 179.25 179.44 1ohs h ALA 17 N 1.16 1.14 -0.32 0.00 0.00 -0.42 -0.64 119.26 120.19 1ohs h ALA 17 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ohs h ALA 17 Cb -0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ohs h ALA 17 CO -0.04 0.58 0.13 -0.07 0.00 0.00 0.00 179.25 179.85 1ohs h LEU 18 N 0.89 0.44 -1.52 0.00 3.38 -0.85 0.23 115.31 117.89 1ohs h LEU 18 Ca 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1ohs h LEU 18 Cb 0.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1ohs h LEU 18 CO -0.00 0.49 -0.10 0.78 0.09 0.00 0.00 178.44 179.70 1ohs h ASN 19 N 0.37 0.17 0.53 -0.43 2.35 -0.85 -2.47 115.58 115.25 1ohs h ASN 19 Ca 0.11 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1ohs h ASN 19 Cb 0.19 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1ohs h ASN 19 CO -0.01 0.30 -0.33 0.00 -1.65 0.00 0.00 177.43 175.74 1ohs n ALA 20 N -2.50 3.17 -2.34 -0.83 0.00 -0.28 -4.86 120.51 112.88 1ohs n ALA 20 Ca -0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1ohs n ALA 20 Cb 0.23 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ohs n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ohs n GLY 21 N 1.45 -0.15 3.46 0.00 0.00 -0.10 -4.93 105.19 104.92 1ohs n GLY 21 Ca 0.08 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 1ohs n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ohs s ASP 22 N -2.48 6.90 0.16 1.61 2.15 -0.21 -4.88 116.67 119.91 1ohs s ASP 22 Ca 0.03 -2.62 -0.16 0.00 0.43 0.00 0.00 52.55 50.23 1ohs s ASP 22 Cb -0.02 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.26 1ohs s ASP 22 CO 0.04 -0.88 1.74 0.25 -0.17 0.00 0.00 175.17 176.16 1ohs h LEU 23 N 10.04 0.10 -0.78 -1.34 5.85 -1.92 -1.78 115.31 125.49 1ohs h LEU 23 Ca 0.26 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1ohs h LEU 23 Cb 0.93 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 1ohs h LEU 23 CO 1.20 0.09 0.41 0.44 -0.34 0.00 0.00 178.44 180.24 1ohs h ASP 24 N 0.25 0.99 -0.42 1.25 3.45 -1.98 -1.54 116.42 118.42 1ohs h ASP 24 Ca 0.16 -0.11 -0.05 0.00 0.43 0.00 0.00 57.03 57.46 1ohs h ASP 24 Cb 0.15 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 1ohs h ASP 24 CO -0.18 0.82 0.09 1.23 -1.57 0.00 0.00 179.24 179.63 1ohs h GLY 25 N 1.08 0.81 0.67 2.75 0.00 -1.88 -1.40 103.07 105.09 1ohs h GLY 25 Ca 0.27 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1ohs h GLY 25 CO -0.04 0.44 -0.07 -2.22 0.00 0.00 0.00 176.54 174.65 1ohs h ILE 26 N 0.72 1.01 -0.47 2.60 2.04 -0.81 -3.21 117.51 119.39 1ohs h ILE 26 Ca 0.16 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ohs h ILE 26 Cb 0.30 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1ohs h ILE 26 CO 0.00 0.16 0.29 0.58 0.00 0.00 0.00 178.15 179.18 1ohs h VAL 27 N -0.52 1.13 0.00 1.67 2.07 -1.17 -2.54 116.25 116.89 1ohs h VAL 27 Ca -0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1ohs h VAL 27 Cb 0.41 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1ohs h VAL 27 CO 0.03 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1ohs h ALA 28 N 1.68 1.00 0.00 1.67 0.00 -1.25 -1.71 119.26 120.64 1ohs h ALA 28 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ohs h ALA 28 Cb -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ohs h ALA 28 CO -0.03 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.06 1ohs h LEU 29 N 0.00 0.00 -9.97 0.00 3.38 -1.52 -3.46 115.31 103.74 1ohs h LEU 29 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1ohs h LEU 29 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1ohs h LEU 29 CO 0.00 0.09 -0.15 -0.36 0.09 0.00 0.00 178.44 178.10 1ohs s PHE 30 N -3.23 3.44 0.76 1.13 0.08 -0.64 -0.85 117.98 118.66 1ohs s PHE 30 Ca 0.06 0.82 -0.11 0.00 0.12 0.00 0.00 56.93 57.82 1ohs s PHE 30 Cb 0.06 -2.21 0.05 0.00 -0.57 0.00 0.00 43.02 40.34 1ohs s PHE 30 CO 0.67 0.31 1.08 0.00 -0.10 0.00 0.00 175.22 177.17 1ohs s ALA 31 N -1.77 2.38 0.41 5.36 0.00 -0.28 -4.76 121.76 123.09 1ohs s ALA 31 Ca 0.46 0.02 0.21 0.00 0.00 0.00 0.00 51.96 52.65 1ohs s ALA 31 Cb -0.11 -3.18 1.20 0.00 0.00 0.00 0.00 23.12 21.03 1ohs s ALA 31 CO 0.22 -1.57 2.00 0.22 0.00 0.00 0.00 175.76 176.63 1ohs h ASP 32 N -0.98 0.00 -0.46 0.00 1.82 -1.96 -2.39 116.42 112.45 1ohs h ASP 32 Ca -0.45 0.00 -0.19 0.00 -0.39 0.00 0.00 57.03 56.00 1ohs h ASP 32 Cb 1.24 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.13 1ohs h ASP 32 CO 0.56 0.18 0.08 -0.90 -1.61 0.00 0.00 179.24 177.55 1ohs n ASP 33 N -3.89 3.21 -4.75 2.28 5.75 -1.26 -3.00 116.55 114.89 1ohs n ASP 33 Ca -0.02 -3.53 -0.34 0.00 -0.01 0.00 0.00 54.79 50.90 1ohs n ASP 33 Cb 0.27 -0.66 0.07 0.00 -1.03 0.00 0.00 41.12 39.77 1ohs n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ohs s ALA 34 N -3.14 2.32 -0.05 2.12 0.00 -0.90 -4.66 121.76 117.45 1ohs s ALA 34 Ca 0.47 0.72 0.05 0.00 0.00 0.00 0.00 51.96 53.19 1ohs s ALA 34 Cb 0.41 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ohs s ALA 34 CO 0.05 -1.52 -0.19 0.99 0.00 0.00 0.00 175.76 175.09 1ohs s THR 35 N -2.14 1.59 -0.16 0.00 2.01 -0.22 -0.97 115.64 115.74 1ohs s THR 35 Ca 0.71 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1ohs s THR 35 Cb -0.25 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 70.92 1ohs s THR 35 CO 0.42 0.45 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.91 1ohs s VAL 36 N 0.05 2.03 -0.38 3.82 1.01 0.34 -1.70 120.40 125.57 1ohs s VAL 36 Ca -0.05 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1ohs s VAL 36 Cb -0.13 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.54 1ohs s VAL 36 CO 0.03 0.54 0.12 -0.70 0.00 0.00 0.00 175.10 175.09 1ohs s GLU 37 N 1.07 1.70 -0.23 2.72 2.12 0.16 -0.15 118.70 126.08 1ohs s GLU 37 Ca -0.01 -1.93 -0.02 0.00 0.36 0.00 0.00 54.97 53.37 1ohs s GLU 37 Cb -0.14 -3.34 0.07 0.00 0.26 0.00 0.00 34.13 30.98 1ohs s GLU 37 CO -0.08 -1.00 0.05 1.21 -0.54 0.00 0.00 175.26 174.90 1ohs s ASN 38 N 1.09 3.29 0.75 -1.70 2.47 -1.26 -1.22 114.94 118.35 1ohs s ASN 38 Ca 0.11 -1.07 -0.05 0.00 0.42 0.00 0.00 52.86 52.27 1ohs s ASN 38 Cb -0.21 -0.70 0.12 0.00 -1.45 0.00 0.00 41.25 39.01 1ohs s ASN 38 CO -0.06 -0.33 1.04 -2.16 -3.72 0.00 0.00 177.10 171.87 1ohs s PRO 39 N 1.77 1.67 0.24 0.43 0.04 -1.26 -4.88 135.00 133.01 1ohs s PRO 39 Ca 0.02 -0.75 -0.31 0.00 0.04 0.00 0.00 61.00 59.99 1ohs s PRO 39 Cb -0.17 -2.22 -0.13 0.00 0.04 0.00 0.00 34.50 32.02 1ohs s PRO 39 CO -0.13 -1.52 1.40 0.28 0.04 0.00 0.00 177.00 177.07 1ohs n VAL 40 N -2.99 0.94 0.00 -0.36 0.31 0.08 -1.65 118.33 114.66 1ohs n VAL 40 Ca 0.13 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1ohs n VAL 40 Cb 0.60 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1ohs n VAL 40 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ohs n GLY 41 N 2.16 1.94 3.99 2.92 0.00 -1.26 -4.96 105.19 109.98 1ohs n GLY 41 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1ohs n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ohs s SER 42 N -1.58 5.63 0.07 1.61 1.04 -0.66 -5.03 113.70 114.78 1ohs s SER 42 Ca 0.00 -0.13 -0.31 0.00 0.48 0.00 0.00 55.95 55.99 1ohs s SER 42 Cb 0.00 -0.99 -0.08 0.00 0.10 0.00 0.00 66.02 65.05 1ohs s SER 42 CO 0.00 -0.80 1.61 -0.70 0.98 0.00 0.00 173.24 174.32 1ohs s GLU 43 N -4.48 4.21 0.59 4.02 2.56 -1.26 -4.83 118.70 119.51 1ohs s GLU 43 Ca 0.53 2.28 -0.19 0.00 0.00 0.00 0.00 54.97 57.58 1ohs s GLU 43 Cb -0.10 -3.55 -0.04 0.00 2.00 0.00 0.00 34.13 32.44 1ohs s GLU 43 CO 0.35 -0.70 1.22 -2.14 -0.56 0.00 0.00 175.26 173.43 1ohs s PRO 44 N 2.46 2.99 -0.32 4.30 0.02 -1.26 -4.79 135.00 138.39 1ohs s PRO 44 Ca 0.72 1.85 -0.12 0.00 0.02 0.00 0.00 61.00 63.47 1ohs s PRO 44 Cb -0.39 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.15 1ohs s PRO 44 CO 0.31 -1.20 0.23 1.03 -0.33 0.00 0.00 177.00 177.04 1ohs s ARG 45 N -3.30 3.65 -0.13 5.54 1.81 0.79 -4.92 118.95 122.39 1ohs s ARG 45 Ca 0.77 -0.52 -0.00 0.00 -1.72 0.00 0.00 55.73 54.26 1ohs s ARG 45 Cb -0.31 -3.76 -0.01 0.00 -0.45 0.00 0.00 34.95 30.42 1ohs s ARG 45 CO 0.34 -0.36 -0.13 -1.12 -0.68 0.00 0.00 175.30 173.34 1ohs s SER 46 N 1.73 3.98 0.00 0.23 0.01 -1.26 -0.50 113.70 117.89 1ohs s SER 46 Ca 0.07 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1ohs s SER 46 Cb -0.17 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1ohs s SER 46 CO 0.11 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1ohs n GLY 47 N 3.53 0.90 0.33 3.44 0.00 -0.15 -4.37 105.19 108.88 1ohs n GLY 47 Ca -0.18 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1ohs n GLY 47 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ohs h THR 48 N 0.00 0.28 -0.47 2.61 2.02 -1.80 -0.87 112.91 114.69 1ohs h THR 48 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1ohs h THR 48 Cb 0.00 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 66.64 1ohs h THR 48 CO 0.00 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.09 1ohs h ALA 49 N 0.55 0.57 -0.59 6.16 0.00 -1.92 0.24 119.26 124.28 1ohs h ALA 49 Ca 0.12 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ohs h ALA 49 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ohs h ALA 49 CO -0.41 -0.18 0.04 0.00 0.00 0.00 0.00 179.25 178.70 1ohs h ALA 50 N 1.28 0.79 -0.31 0.00 0.00 -1.70 -1.49 119.26 117.83 1ohs h ALA 50 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ohs h ALA 50 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ohs h ALA 50 CO -0.19 0.59 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 1ohs h ILE 51 N 0.91 1.26 -0.81 0.00 2.04 -0.69 -1.60 117.51 118.62 1ohs h ILE 51 Ca 0.17 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1ohs h ILE 51 Cb 0.50 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1ohs h ILE 51 CO 0.02 0.32 0.51 -0.09 0.00 0.00 0.00 178.15 178.91 1ohs h ARG 52 N 0.34 0.97 -0.48 2.37 2.43 -0.44 -1.59 114.38 117.98 1ohs h ARG 52 Ca 0.08 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ohs h ARG 52 Cb 0.47 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1ohs h ARG 52 CO 0.02 0.64 0.24 1.49 -1.51 0.00 0.00 179.97 180.85 1ohs h GLU 53 N 1.00 0.69 -0.24 0.20 4.81 -1.07 0.82 114.58 120.78 1ohs h GLU 53 Ca 0.32 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1ohs h GLU 53 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ohs h GLU 53 CO -0.12 0.57 0.09 0.35 -0.73 0.00 0.00 179.01 179.17 1ohs h PHE 54 N 0.63 0.16 0.00 0.92 3.57 -0.64 -1.44 116.94 120.14 1ohs h PHE 54 Ca 0.17 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1ohs h PHE 54 Cb 0.11 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1ohs h PHE 54 CO -0.01 0.08 -0.68 1.88 -2.23 0.00 0.00 178.31 177.34 1ohs h TYR 55 N 0.20 0.00 -0.77 0.41 -1.99 -1.20 -0.89 116.97 112.72 1ohs h TYR 55 Ca 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.80 1ohs h TYR 55 Cb 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 1ohs h TYR 55 CO -0.12 0.68 0.38 0.00 -0.00 0.00 0.00 178.16 179.10 1ohs h ALA 56 N 1.32 1.20 0.08 3.88 0.00 -0.48 0.03 119.26 125.28 1ohs h ALA 56 Ca -0.01 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1ohs h ALA 56 Cb 1.23 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1ohs h ALA 56 CO 0.09 0.61 -1.13 -0.91 0.00 0.00 0.00 179.25 177.91 1ohs h ASN 57 N 1.10 0.60 -0.18 0.00 2.35 -1.11 -3.24 115.58 115.10 1ohs h ASN 57 Ca 0.27 -0.55 -0.05 0.00 -0.55 0.00 0.00 56.30 55.42 1ohs h ASN 57 Cb 0.10 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1ohs h ASN 57 CO -0.03 1.38 -0.02 0.28 -1.65 0.00 0.00 177.43 177.38 1ohs h SER 58 N 0.19 0.42 -0.15 5.81 0.02 -0.72 -0.98 113.55 118.15 1ohs h SER 58 Ca -0.13 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1ohs h SER 58 Cb 1.80 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.23 1ohs h SER 58 CO 0.20 0.51 0.00 0.18 -1.14 0.00 0.00 176.83 176.57 1ohs n LEU 59 N -4.29 0.91 -0.08 5.07 4.77 -0.04 -3.96 117.00 119.37 1ohs n LEU 59 Ca 0.01 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.47 1ohs n LEU 59 Cb 0.24 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ohs n LEU 59 CO 0.38 0.21 0.82 0.50 -1.33 0.00 0.00 177.39 177.98 1ohs h LYS 60 N 0.88 0.02 -6.17 3.23 1.63 -1.20 -3.41 116.57 111.55 1ohs h LYS 60 Ca 0.00 -0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.28 1ohs h LYS 60 Cb 0.25 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1ohs h LYS 60 CO 0.01 0.01 -0.50 -0.51 -3.45 0.00 0.00 179.45 175.01 1ohs s LEU 61 N -10.49 4.03 0.27 5.20 2.01 -1.25 -5.08 118.68 113.37 1ohs s LEU 61 Ca -0.14 -0.07 -0.29 0.00 0.01 0.00 0.00 54.13 53.65 1ohs s LEU 61 Cb 0.12 -2.59 -0.10 0.00 0.01 0.00 0.00 46.19 43.64 1ohs s LEU 61 CO 0.70 -0.00 1.25 -2.16 1.01 0.00 0.00 176.35 177.14 1ohs s PRO 62 N -3.56 4.45 -0.02 1.29 0.04 -1.26 -5.03 135.00 130.91 1ohs s PRO 62 Ca 0.33 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1ohs s PRO 62 Cb -0.09 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1ohs s PRO 62 CO 0.26 -0.09 -0.26 -0.51 0.04 0.00 0.00 177.00 176.44 1ohs s LEU 63 N -1.17 2.05 -0.29 -3.56 1.43 -1.26 -4.67 118.68 111.21 1ohs s LEU 63 Ca 0.50 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1ohs s LEU 63 Cb -0.36 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1ohs s LEU 63 CO 0.45 0.32 -0.03 0.00 0.23 0.00 0.00 176.35 177.32 1ohs s ALA 64 N -0.61 2.76 -0.07 4.21 0.00 -0.76 -4.42 121.76 122.88 1ohs s ALA 64 Ca 0.10 -1.71 0.05 0.00 0.00 0.00 0.00 51.96 50.40 1ohs s ALA 64 Cb -0.10 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.16 1ohs s ALA 64 CO -0.01 -1.18 -0.21 0.08 0.00 0.00 0.00 175.76 174.44 1ohs s VAL 65 N 1.24 2.42 -0.02 0.00 1.01 -1.26 -0.68 120.40 123.12 1ohs s VAL 65 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1ohs s VAL 65 Cb -0.19 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1ohs s VAL 65 CO -0.02 0.57 -0.00 -0.70 0.00 0.00 0.00 175.10 174.94 1ohs s GLU 66 N -0.18 0.24 0.15 2.72 2.12 -0.89 -4.93 118.70 117.93 1ohs s GLU 66 Ca -0.02 0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.04 1ohs s GLU 66 Cb -0.14 -0.37 -0.07 0.00 0.26 0.00 0.00 34.13 33.82 1ohs s GLU 66 CO 0.03 -0.08 1.15 -0.51 -0.54 0.00 0.00 175.26 175.31 1ohs s LEU 67 N 0.67 4.45 0.00 2.70 1.43 -1.26 -1.48 118.68 125.20 1ohs s LEU 67 Ca -0.07 2.11 0.17 0.00 -1.03 0.00 0.00 54.13 55.32 1ohs s LEU 67 Cb -0.10 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1ohs s LEU 67 CO -0.01 -0.32 0.90 0.35 0.23 0.00 0.00 176.35 177.50 1ohs n THR 68 N 2.76 0.00 -3.96 5.49 -2.24 -0.78 -4.94 114.28 110.61 1ohs n THR 68 Ca 0.05 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1ohs n THR 68 Cb 0.46 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.85 1ohs n THR 68 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ohs s GLN 69 N -2.00 1.67 0.62 -0.78 -0.21 -1.25 -5.02 119.66 112.69 1ohs s GLN 69 Ca 0.14 -1.25 -0.18 0.00 0.02 0.00 0.00 55.36 54.09 1ohs s GLN 69 Cb 0.14 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.63 1ohs s GLN 69 CO 0.43 -0.72 1.24 -1.83 -2.12 0.00 0.00 175.29 172.30 1ohs s GLU 70 N -3.81 2.80 0.36 2.91 -1.05 -1.26 -4.75 118.70 113.89 1ohs s GLU 70 Ca 0.20 1.92 -0.24 0.00 -0.15 0.00 0.00 54.97 56.70 1ohs s GLU 70 Cb -0.02 -1.89 -0.10 0.00 -0.44 0.00 0.00 34.13 31.67 1ohs s GLU 70 CO 0.10 -1.37 0.94 0.08 0.95 0.00 0.00 175.26 175.96 1ohs s VAL 71 N -1.52 4.29 -0.21 1.83 1.01 -1.26 -4.76 120.40 119.77 1ohs s VAL 71 Ca 0.79 1.69 -0.04 0.00 0.00 0.00 0.00 61.98 64.42 1ohs s VAL 71 Cb -0.33 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1ohs s VAL 71 CO 0.36 -0.03 -0.03 -0.13 0.00 0.00 0.00 175.10 175.27 1ohs s ARG 72 N -2.47 3.45 -0.03 2.72 3.00 -0.69 -5.01 118.95 119.93 1ohs s ARG 72 Ca 0.54 -0.60 -0.00 0.00 0.00 0.00 0.00 55.73 55.67 1ohs s ARG 72 Cb -0.15 -3.02 0.03 0.00 0.00 0.00 0.00 34.95 31.82 1ohs s ARG 72 CO 0.20 -0.12 0.04 0.00 0.00 0.00 0.00 175.30 175.42 1ohs s ALA 73 N 1.29 0.05 -0.16 2.13 0.00 -1.26 -0.56 121.76 123.24 1ohs s ALA 73 Ca 0.04 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1ohs s ALA 73 Cb -0.14 -0.28 0.12 0.00 0.00 0.00 0.00 23.12 22.81 1ohs s ALA 73 CO -0.01 -0.13 0.97 0.54 0.00 0.00 0.00 175.76 177.14 1ohs s VAL 74 N 1.12 0.00 -0.86 0.00 0.11 -0.10 -4.88 120.40 115.80 1ohs s VAL 74 Ca -0.09 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.81 1ohs s VAL 74 Cb -0.13 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1ohs s VAL 74 CO -0.03 0.00 0.54 0.00 -3.33 0.00 0.00 175.10 172.27 1ohs n ALA 75 N 0.89 -2.44 -1.37 1.54 0.00 -1.26 -1.11 120.51 116.75 1ohs n ALA 75 Ca -0.11 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1ohs n ALA 75 Cb 0.58 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1ohs n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ohs n ASN 76 N -1.89 -5.51 -4.04 0.00 3.02 -1.26 -4.97 115.26 100.61 1ohs n ASN 76 Ca -0.18 0.32 -0.10 0.00 -0.03 0.00 0.00 54.58 54.58 1ohs n ASN 76 Cb 0.53 -4.14 -0.11 0.00 -0.61 0.00 0.00 39.78 35.45 1ohs n ASN 76 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ohs s GLU 77 N -3.04 0.47 -0.03 3.52 2.02 -0.26 -0.55 118.70 120.83 1ohs s GLU 77 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 1ohs s GLU 77 Cb 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.21 1ohs s GLU 77 CO 0.00 -0.02 0.23 0.00 0.02 0.00 0.00 175.26 175.48 1ohs s ALA 78 N -1.99 -0.56 0.02 5.21 0.00 -0.40 -0.93 121.76 123.12 1ohs s ALA 78 Ca -0.08 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.16 1ohs s ALA 78 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1ohs s ALA 78 CO -0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 175.76 175.49 1ohs s ALA 79 N -0.90 0.41 -0.02 0.00 0.00 0.27 0.52 121.76 122.04 1ohs s ALA 79 Ca -0.10 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 1ohs s ALA 79 Cb -0.05 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ohs s ALA 79 CO 0.02 0.00 0.38 -0.59 0.00 0.00 0.00 175.76 175.57 1ohs s PHE 80 N -0.85 -0.26 -0.07 0.00 -0.71 -0.58 -1.70 117.98 113.80 1ohs s PHE 80 Ca -0.06 0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 56.21 1ohs s PHE 80 Cb -0.06 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1ohs s PHE 80 CO -0.00 -0.43 0.10 0.00 -1.34 0.00 0.00 175.22 173.55 1ohs s ALA 81 N -1.32 3.70 0.29 1.99 0.00 -1.26 -1.09 121.76 124.07 1ohs s ALA 81 Ca -0.13 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.89 1ohs s ALA 81 Cb -0.04 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.38 1ohs s ALA 81 CO 0.05 0.65 0.89 -0.59 0.00 0.00 0.00 175.76 176.77 1ohs s PHE 82 N -1.08 0.07 0.05 0.00 -0.12 -1.11 -1.86 117.98 113.93 1ohs s PHE 82 Ca 0.18 -0.61 0.04 0.00 -0.05 0.00 0.00 56.93 56.49 1ohs s PHE 82 Cb -0.12 0.77 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1ohs s PHE 82 CO 0.08 -1.27 -0.12 0.96 -0.05 0.00 0.00 175.22 174.83 1ohs s ILE 83 N -2.38 0.93 -0.13 -4.49 -5.25 -0.55 -3.23 121.20 106.12 1ohs s ILE 83 Ca 0.18 -1.11 0.00 0.00 -0.99 0.00 0.00 60.65 58.73 1ohs s ILE 83 Cb -0.04 -0.90 0.02 0.00 2.95 0.00 0.00 42.46 44.49 1ohs s ILE 83 CO 0.08 -0.18 -0.11 -0.69 -1.79 0.00 0.00 174.94 172.25 1ohs s VAL 84 N -1.12 1.28 0.01 8.37 1.01 0.55 -2.10 120.40 128.40 1ohs s VAL 84 Ca -0.03 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1ohs s VAL 84 Cb -0.09 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1ohs s VAL 84 CO 0.01 0.41 -0.18 -0.44 0.00 0.00 0.00 175.10 174.91 1ohs s SER 85 N 1.54 3.80 0.22 3.32 0.01 0.14 -1.28 113.70 121.45 1ohs s SER 85 Ca 0.04 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 1ohs s SER 85 Cb -0.13 -0.66 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1ohs s SER 85 CO -0.08 0.29 0.86 0.72 0.41 0.00 0.00 173.24 175.43 1ohs s PHE 86 N -0.83 -0.13 0.03 2.43 -0.12 -0.88 -1.82 117.98 116.65 1ohs s PHE 86 Ca 0.13 -0.26 0.07 0.00 -0.05 0.00 0.00 56.93 56.82 1ohs s PHE 86 Cb -0.10 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1ohs s PHE 86 CO 0.03 -1.04 -0.21 -1.21 -0.05 0.00 0.00 175.22 172.74 1ohs s GLU 87 N -3.45 2.05 -0.24 1.99 2.02 -1.26 0.35 118.70 120.16 1ohs s GLU 87 Ca 0.12 -0.98 -0.02 0.00 0.02 0.00 0.00 54.97 54.12 1ohs s GLU 87 Cb -0.04 -2.14 0.08 0.00 0.10 0.00 0.00 34.13 32.13 1ohs s GLU 87 CO 0.05 0.54 0.05 -0.47 0.02 0.00 0.00 175.26 175.45 1ohs s TYR 88 N -0.84 1.47 -1.92 1.61 5.04 0.43 -4.82 117.35 118.33 1ohs s TYR 88 Ca 0.13 -1.31 0.00 0.00 -2.44 0.00 0.00 57.07 53.44 1ohs s TYR 88 Cb -0.10 -1.36 0.00 0.00 0.35 0.00 0.00 41.96 40.85 1ohs s TYR 88 CO 0.03 -0.74 0.00 1.04 -1.34 0.00 0.00 175.55 174.55 1ohs n GLN 89 N 4.92 -1.53 0.00 4.97 1.13 -1.26 -3.24 117.38 122.37 1ohs n GLN 89 Ca -0.07 1.09 0.00 0.00 -1.94 0.00 0.00 57.00 56.08 1ohs n GLN 89 Cb 0.45 -5.59 0.00 0.00 0.11 0.00 0.00 30.24 25.20 1ohs n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ohs n GLY 90 N -0.78 3.12 3.79 1.08 0.00 -1.26 -5.09 105.19 106.05 1ohs n GLY 90 Ca -0.22 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 1ohs n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ohs s ARG 91 N 0.00 4.52 0.05 1.61 3.03 -1.20 -5.01 118.95 121.95 1ohs s ARG 91 Ca 0.00 1.31 -0.20 0.00 2.03 0.00 0.00 55.73 58.87 1ohs s ARG 91 Cb 0.00 -2.71 -0.06 0.00 -1.03 0.00 0.00 34.95 31.15 1ohs s ARG 91 CO 0.00 0.22 0.57 0.21 -1.13 0.00 0.00 175.30 175.18 1ohs s LYS 92 N -2.22 4.23 0.04 3.89 2.20 -1.26 -0.43 119.74 126.20 1ohs s LYS 92 Ca 0.52 0.73 0.08 0.00 -0.36 0.00 0.00 55.97 56.94 1ohs s LYS 92 Cb -0.17 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1ohs s LYS 92 CO 0.22 0.55 -0.23 0.99 -0.36 0.00 0.00 175.35 176.53 1ohs s THR 93 N -0.81 2.40 -0.12 3.43 2.01 0.16 0.73 115.64 123.43 1ohs s THR 93 Ca 0.29 -1.31 -0.00 0.00 0.31 0.00 0.00 61.69 60.98 1ohs s THR 93 Cb -0.19 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1ohs s THR 93 CO 0.18 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 1ohs s VAL 94 N -0.85 1.16 -0.15 3.82 1.01 0.49 -2.06 120.40 123.81 1ohs s VAL 94 Ca 0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 1ohs s VAL 94 Cb -0.10 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ohs s VAL 94 CO 0.03 0.39 -0.01 -0.69 0.00 0.00 0.00 175.10 174.82 1ohs s VAL 95 N 1.59 4.15 -0.60 2.92 1.01 -0.40 -0.45 120.40 128.61 1ohs s VAL 95 Ca 0.04 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1ohs s VAL 95 Cb -0.13 -2.82 0.15 0.00 0.00 0.00 0.00 36.38 33.58 1ohs s VAL 95 CO -0.08 0.50 0.37 0.00 0.00 0.00 0.00 175.10 175.89 1ohs s ALA 96 N 0.20 3.52 0.60 5.51 0.00 -0.38 -0.33 121.76 130.89 1ohs s ALA 96 Ca -0.00 -3.53 0.02 0.00 0.00 0.00 0.00 51.96 48.45 1ohs s ALA 96 Cb -0.13 -2.16 0.10 0.00 0.00 0.00 0.00 23.12 20.93 1ohs s ALA 96 CO 0.02 -2.06 0.74 -0.35 0.00 0.00 0.00 175.76 174.12 1ohs n PRO 97 N 2.59 0.25 -4.04 0.00 -0.05 -1.20 -4.89 135.00 127.67 1ohs n PRO 97 Ca 0.12 -2.26 -0.27 0.00 -0.05 0.00 0.00 63.50 61.04 1ohs n PRO 97 Cb 0.33 -0.41 -0.17 0.00 -0.05 0.00 0.00 33.50 33.20 1ohs n PRO 97 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1ohs s ILE 98 N -2.21 1.12 -0.06 0.52 1.01 -0.72 -2.75 121.20 118.10 1ohs s ILE 98 Ca 0.51 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 1ohs s ILE 98 Cb -0.03 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1ohs s ILE 98 CO 0.33 0.38 0.15 -1.81 0.00 0.00 0.00 174.94 174.00 1ohs s ASP 99 N 1.50 6.30 -0.19 3.58 1.11 -0.25 -0.87 116.67 127.85 1ohs s ASP 99 Ca 0.02 0.38 0.01 0.00 0.18 0.00 0.00 52.55 53.14 1ohs s ASP 99 Cb -0.13 -1.99 0.03 0.00 1.07 0.00 0.00 42.92 41.90 1ohs s ASP 99 CO -0.07 0.33 -0.16 -2.28 1.18 0.00 0.00 175.17 174.17 1ohs s HIS 100 N -1.19 2.69 -0.09 4.23 2.46 -0.43 -1.53 115.29 121.43 1ohs s HIS 100 Ca 0.22 -1.68 -0.02 0.00 0.47 0.00 0.00 55.06 54.04 1ohs s HIS 100 Cb -0.12 -1.81 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 1ohs s HIS 100 CO 0.12 -0.78 0.01 -0.06 -2.47 0.00 0.00 174.74 171.56 1ohs s PHE 101 N 1.31 3.20 -0.09 3.88 0.40 0.19 -1.53 117.98 125.34 1ohs s PHE 101 Ca 0.01 0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1ohs s PHE 101 Cb -0.15 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.58 1ohs s PHE 101 CO -0.10 0.48 -0.20 1.03 0.70 0.00 0.00 175.22 177.12 1ohs s ARG 102 N -0.84 2.63 -0.05 0.44 0.52 0.34 -1.28 118.95 120.71 1ohs s ARG 102 Ca 0.13 -0.73 -0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1ohs s ARG 102 Cb -0.11 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1ohs s ARG 102 CO 0.02 0.12 0.03 -0.06 0.02 0.00 0.00 175.30 175.43 1ohs s PHE 103 N 0.47 3.19 0.82 -0.53 0.40 0.28 -0.78 117.98 121.83 1ohs s PHE 103 Ca -0.17 0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.26 1ohs s PHE 103 Cb -0.17 -1.76 0.14 0.00 0.51 0.00 0.00 43.02 41.74 1ohs s PHE 103 CO 0.07 0.50 1.14 0.54 0.70 0.00 0.00 175.22 178.17 1ohs s ASN 104 N -1.25 3.96 0.47 1.36 6.03 -0.14 -4.87 114.94 120.50 1ohs s ASN 104 Ca 0.17 0.14 0.18 0.00 -1.03 0.00 0.00 52.86 52.32 1ohs s ASN 104 Cb -0.12 -0.45 1.16 0.00 -3.03 0.00 0.00 41.25 38.82 1ohs s ASN 104 CO 0.07 -2.16 1.98 1.23 -2.03 0.00 0.00 177.10 176.19 1ohs h GLY 105 N -1.02 0.41 0.87 0.45 0.00 -1.92 -1.08 103.07 100.78 1ohs h GLY 105 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1ohs h GLY 105 CO 0.45 0.05 0.00 0.00 0.00 0.00 0.00 176.54 177.05 1ohs n ALA 106 N -2.56 2.68 -0.64 3.60 0.00 -1.26 -0.98 120.51 121.36 1ohs n ALA 106 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ohs n ALA 106 Cb 0.48 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1ohs n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ohs n GLY 107 N 1.01 0.68 3.92 0.00 0.00 -0.41 -5.01 105.19 105.37 1ohs n GLY 107 Ca 0.23 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ohs n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ohs s LYS 108 N -0.43 3.54 -0.23 1.61 -0.14 -1.26 -4.85 119.74 117.99 1ohs s LYS 108 Ca 0.00 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.05 1ohs s LYS 108 Cb 0.00 -2.86 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1ohs s LYS 108 CO 0.00 0.44 1.21 0.08 -0.76 0.00 0.00 175.35 176.32 1ohs s VAL 109 N -1.77 4.35 -0.26 3.17 1.01 -0.03 -0.97 120.40 125.89 1ohs s VAL 109 Ca 0.39 1.59 0.21 0.00 0.00 0.00 0.00 61.98 64.18 1ohs s VAL 109 Cb -0.12 -4.14 -0.31 0.00 0.00 0.00 0.00 36.38 31.82 1ohs s VAL 109 CO 0.28 -0.27 0.57 0.55 0.00 0.00 0.00 175.10 176.23 1ohs n VAL 110 N 5.63 0.00 -3.70 2.92 3.14 0.04 -1.12 118.33 125.23 1ohs n VAL 110 Ca 0.14 -0.37 -0.14 0.00 -2.96 0.00 0.00 64.34 61.00 1ohs n VAL 110 Cb 0.46 0.25 -0.14 0.00 -1.06 0.00 0.00 33.84 33.35 1ohs n VAL 110 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ohs s SER 111 N -4.11 0.19 -0.12 6.55 0.15 -1.01 -1.06 113.70 114.30 1ohs s SER 111 Ca -0.04 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.09 1ohs s SER 111 Cb 0.14 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 1ohs s SER 111 CO 0.89 -0.21 -0.12 -0.32 1.20 0.00 0.00 173.24 174.68 1ohs s MET 112 N 1.86 1.93 -0.14 5.44 0.00 -0.69 -0.51 119.30 127.19 1ohs s MET 112 Ca -0.03 -0.43 -0.01 0.00 0.00 0.00 0.00 55.69 55.22 1ohs s MET 112 Cb -0.11 -1.78 0.04 0.00 0.00 0.00 0.00 34.83 32.97 1ohs s MET 112 CO -0.07 -0.17 -0.04 1.03 0.00 0.00 0.00 175.02 175.76 1ohs s ARG 113 N 1.34 1.29 -0.30 4.11 0.52 -0.58 -0.67 118.95 124.67 1ohs s ARG 113 Ca -0.00 -0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 54.68 1ohs s ARG 113 Cb -0.14 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.53 1ohs s ARG 113 CO -0.06 -0.39 0.42 0.00 0.02 0.00 0.00 175.30 175.29 1ohs s ALA 114 N 1.71 3.54 -0.32 2.13 0.00 -0.36 -1.31 121.76 127.15 1ohs s ALA 114 Ca 0.02 -0.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1ohs s ALA 114 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1ohs s ALA 114 CO -0.08 -0.86 0.21 -0.51 0.00 0.00 0.00 175.76 174.52 1ohs s LEU 115 N 2.16 4.29 -0.21 0.00 1.43 -0.05 -0.74 118.68 125.55 1ohs s LEU 115 Ca 0.16 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 1ohs s LEU 115 Cb -0.16 -2.10 0.12 0.00 0.03 0.00 0.00 46.19 44.08 1ohs s LEU 115 CO 0.11 -0.18 0.97 0.72 0.23 0.00 0.00 176.35 178.20 1ohs s PHE 116 N 1.71 -0.46 0.39 0.29 -0.71 -1.26 -1.76 117.98 116.17 1ohs s PHE 116 Ca 0.06 0.96 0.02 0.00 -1.04 0.00 0.00 56.93 56.93 1ohs s PHE 116 Cb -0.17 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 1ohs s PHE 116 CO 0.10 -0.32 0.07 0.41 -1.34 0.00 0.00 175.22 174.14 1ohs n GLY 117 N 1.48 3.49 0.39 1.99 0.00 -1.26 -4.83 105.19 106.46 1ohs n GLY 117 Ca -0.12 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.87 1ohs n GLY 117 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ohs h GLU 118 N 0.00 0.35 0.00 1.61 4.39 -2.03 0.20 114.58 119.10 1ohs h GLU 118 Ca -0.32 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1ohs h GLU 118 Cb 1.07 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1ohs h GLU 118 CO 0.51 0.23 0.00 1.63 -1.16 0.00 0.00 179.01 180.23 1ohs n LYS 119 N -4.47 0.18 -0.24 2.33 4.76 -1.26 -1.74 118.16 117.72 1ohs n LYS 119 Ca 0.16 0.47 0.12 0.00 -2.87 0.00 0.00 58.31 56.19 1ohs n LYS 119 Cb 0.62 -1.89 0.25 0.00 -1.84 0.00 0.00 35.03 32.17 1ohs n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ohs n ASN 120 N -2.24 3.61 -4.34 4.39 4.13 0.71 -4.82 115.26 116.71 1ohs n ASN 120 Ca 0.01 -1.99 -0.38 0.00 1.68 0.00 0.00 54.58 53.90 1ohs n ASN 120 Cb 0.19 -0.32 -0.12 0.00 -1.54 0.00 0.00 39.78 37.98 1ohs n ASN 120 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ohs s ILE 121 N -1.33 4.02 -0.24 2.41 1.01 -0.71 -1.25 121.20 125.11 1ohs s ILE 121 Ca 0.42 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1ohs s ILE 121 Cb 0.23 -3.13 0.03 0.00 0.01 0.00 0.00 42.46 39.60 1ohs s ILE 121 CO 0.32 0.00 -0.08 -1.00 0.00 0.00 0.00 174.94 174.18 1ohs s HIS 122 N 1.49 3.04 -0.95 3.97 3.76 0.40 -4.99 115.29 122.02 1ohs s HIS 122 Ca 0.02 -1.60 -0.20 0.00 -0.15 0.00 0.00 55.06 53.13 1ohs s HIS 122 Cb -0.18 -2.03 0.10 0.00 1.11 0.00 0.00 32.58 31.58 1ohs s HIS 122 CO 0.03 -0.74 1.24 0.00 -0.85 0.00 0.00 174.74 174.42 1ohs s ALA 123 N 1.31 3.12 0.00 -1.40 0.00 -1.26 -0.38 121.76 123.15 1ohs s ALA 123 Ca 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 51.96 49.42 1ohs s ALA 123 Cb -0.16 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1ohs s ALA 123 CO -0.05 -3.21 0.00 0.41 0.00 0.00 0.00 175.76 172.91 1ohs n GLY 124 N 5.98 1.06 0.00 0.00 0.00 0.22 -4.93 105.19 107.53 1ohs n GLY 124 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ohs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32