#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 6.14 0.27 6.12 0.02 -1.26 -4.95 114.94 121.28 1ohs s ASN 2 Ca 0.00 -0.51 -0.04 0.00 -1.02 0.00 0.00 52.86 51.30 1ohs s ASN 2 Cb 0.00 -2.56 -0.05 0.00 0.02 0.00 0.00 41.25 38.66 1ohs s ASN 2 CO 0.00 -1.84 0.51 0.42 0.02 0.00 0.00 177.10 176.21 1ohs s THR 3 N 5.86 5.07 0.40 1.60 -4.23 -1.26 -4.60 115.64 118.48 1ohs s THR 3 Ca 0.38 -0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.91 1ohs s THR 3 Cb -0.07 -3.73 0.26 0.00 1.34 0.00 0.00 72.50 70.29 1ohs s THR 3 CO 0.13 -0.29 2.05 -0.65 -0.54 0.00 0.00 174.62 175.32 1ohs h PRO 4 N 1.76 0.56 -0.47 3.99 0.11 -1.95 -1.75 132.00 134.24 1ohs h PRO 4 Ca -0.48 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1ohs h PRO 4 Cb 1.19 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1ohs h PRO 4 CO 0.67 0.38 0.28 0.93 -0.21 0.00 0.00 178.00 180.05 1ohs h GLU 5 N 0.57 0.56 -0.37 1.05 3.07 -1.96 -0.16 114.58 117.35 1ohs h GLU 5 Ca 0.15 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1ohs h GLU 5 Cb -0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1ohs h GLU 5 CO -0.03 0.37 0.12 1.25 -1.40 0.00 0.00 179.01 179.31 1ohs h HIS 6 N 0.57 0.59 -0.62 4.33 -0.00 -1.73 -1.12 115.15 117.17 1ohs h HIS 6 Ca 0.19 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.42 1ohs h HIS 6 Cb 0.01 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 1ohs h HIS 6 CO -0.06 0.56 0.08 0.52 -0.00 0.00 0.00 177.93 179.03 1ohs h MET 7 N 0.44 1.03 -0.55 5.26 2.86 -1.18 -1.24 114.93 121.55 1ohs h MET 7 Ca 0.12 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1ohs h MET 7 Cb 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1ohs h MET 7 CO -0.00 0.96 0.02 1.15 1.06 0.00 0.00 176.91 180.10 1ohs h THR 8 N 0.96 1.26 -0.36 2.22 2.02 -0.93 -1.92 112.91 116.16 1ohs h THR 8 Ca 0.19 -1.08 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1ohs h THR 8 Cb 0.45 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 1ohs h THR 8 CO 0.01 0.39 -0.02 0.00 0.37 0.00 0.00 175.52 176.27 1ohs h ALA 9 N 0.97 1.29 -0.59 6.16 0.00 -0.90 -2.11 119.26 124.07 1ohs h ALA 9 Ca 0.16 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1ohs h ALA 9 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ohs h ALA 9 CO 0.02 0.48 -0.04 0.28 0.00 0.00 0.00 179.25 179.99 1ohs h VAL 10 N 0.55 1.27 -0.73 0.00 2.07 -0.86 -0.82 116.25 117.74 1ohs h VAL 10 Ca 0.11 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1ohs h VAL 10 Cb 0.39 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1ohs h VAL 10 CO 0.02 0.43 0.45 0.58 0.02 0.00 0.00 177.57 179.07 1ohs h VAL 11 N 0.97 1.20 -0.71 2.57 2.07 -0.89 0.44 116.25 121.89 1ohs h VAL 11 Ca 0.16 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ohs h VAL 11 Cb 0.61 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1ohs h VAL 11 CO 0.04 0.21 0.36 1.56 0.02 0.00 0.00 177.57 179.75 1ohs h GLN 12 N 0.99 1.02 -0.29 1.57 1.08 -1.02 -0.95 115.11 117.50 1ohs h GLN 12 Ca 0.26 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.23 1ohs h GLN 12 Cb -0.05 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.17 1ohs h GLN 12 CO -0.05 0.79 -0.23 0.00 -0.95 0.00 0.00 178.83 178.39 1ohs h ARG 13 N 0.99 0.54 0.24 1.46 3.08 -0.59 -0.82 114.38 119.29 1ohs h ARG 13 Ca 0.25 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ohs h ARG 13 Cb 0.09 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ohs h ARG 13 CO -0.03 0.73 -0.12 0.35 -1.07 0.00 0.00 179.97 179.83 1ohs h PHE 14 N 0.48 -0.30 -0.76 3.04 3.57 -0.41 0.37 116.94 122.93 1ohs h PHE 14 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1ohs h PHE 14 Cb 0.66 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1ohs h PHE 14 CO 0.02 -0.08 0.50 0.28 -2.23 0.00 0.00 178.31 176.80 1ohs h VAL 15 N -0.48 1.17 -0.61 1.41 2.07 -1.07 -1.74 116.25 116.99 1ohs h VAL 15 Ca -0.03 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1ohs h VAL 15 Cb 0.36 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1ohs h VAL 15 CO 0.06 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.96 1ohs h ALA 16 N 1.29 1.07 -0.58 1.67 0.00 -0.99 -2.16 119.26 119.55 1ohs h ALA 16 Ca 0.29 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1ohs h ALA 16 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1ohs h ALA 16 CO -0.08 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.81 1ohs h ALA 17 N 1.21 0.78 -0.37 0.00 0.00 -0.39 -1.48 119.26 119.01 1ohs h ALA 17 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ohs h ALA 17 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ohs h ALA 17 CO 0.00 0.60 0.21 -0.07 0.00 0.00 0.00 179.25 179.99 1ohs h LEU 18 N 0.91 0.46 -1.24 0.00 3.38 -1.10 0.13 115.31 117.85 1ohs h LEU 18 Ca 0.17 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ohs h LEU 18 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1ohs h LEU 18 CO 0.03 0.41 0.28 0.78 0.09 0.00 0.00 178.44 180.02 1ohs h ASN 19 N 0.47 0.73 0.87 -0.43 2.35 -1.17 -2.15 115.58 116.24 1ohs h ASN 19 Ca 0.13 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1ohs h ASN 19 Cb 0.05 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1ohs h ASN 19 CO -0.02 0.62 -0.29 0.00 -1.65 0.00 0.00 177.43 176.09 1ohs n ALA 20 N -2.45 2.85 -2.27 -0.83 0.00 -0.58 -4.85 120.51 112.38 1ohs n ALA 20 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 1ohs n ALA 20 Cb 0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 1.44 -0.12 3.46 0.00 0.00 0.26 -4.93 105.19 105.31 1ohs n GLY 21 Ca 0.06 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.27 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 6.62 0.11 1.61 2.15 -0.09 -4.89 116.67 119.69 1ohs s ASP 22 Ca 0.01 -1.99 -0.21 0.00 0.43 0.00 0.00 52.55 50.79 1ohs s ASP 22 Cb -0.01 -2.42 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 1ohs s ASP 22 CO 0.02 -1.11 1.72 0.25 -0.17 0.00 0.00 175.17 175.88 1ohs h LEU 23 N 10.65 -0.10 -0.70 -1.34 5.85 -1.92 -1.93 115.31 125.82 1ohs h LEU 23 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ohs h LEU 23 Cb 1.02 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1ohs h LEU 23 CO 1.14 -0.03 0.39 0.44 -0.34 0.00 0.00 178.44 180.04 1ohs h ASP 24 N -0.00 0.87 -0.59 1.25 3.45 -1.99 -1.95 116.42 117.47 1ohs h ASP 24 Ca 0.05 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.47 1ohs h ASP 24 Cb 0.08 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.58 1ohs h ASP 24 CO -0.11 0.71 0.31 1.23 -1.57 0.00 0.00 179.24 179.82 1ohs h GLY 25 N 0.96 0.84 0.90 2.75 0.00 -1.91 0.05 103.07 106.66 1ohs h GLY 25 Ca 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1ohs h GLY 25 CO -0.04 0.14 -0.08 -2.22 0.00 0.00 0.00 176.54 174.34 1ohs h ILE 26 N 0.60 0.88 -0.35 2.60 2.04 -0.98 -2.99 117.51 119.30 1ohs h ILE 26 Ca 0.26 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1ohs h ILE 26 Cb 0.15 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1ohs h ILE 26 CO -0.16 0.05 0.23 0.58 0.00 0.00 0.00 178.15 178.85 1ohs h VAL 27 N -0.33 1.05 0.00 1.67 2.07 -1.02 -2.48 116.25 117.21 1ohs h VAL 27 Ca -0.02 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ohs h VAL 27 Cb 0.26 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1ohs h VAL 27 CO 0.04 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.69 1ohs h ALA 28 N 1.79 1.11 0.00 1.67 0.00 -0.84 -2.10 119.26 120.90 1ohs h ALA 28 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ohs h ALA 28 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ohs h ALA 28 CO -0.03 0.02 -0.02 -0.07 0.00 0.00 0.00 179.25 179.15 1ohs h LEU 29 N 0.00 0.00 -9.93 0.00 3.38 -1.50 -3.46 115.31 103.80 1ohs h LEU 29 Ca -0.00 -0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1ohs h LEU 29 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1ohs h LEU 29 CO 0.00 0.00 -0.35 -0.36 0.09 0.00 0.00 178.44 177.82 1ohs s PHE 30 N -3.16 3.49 0.81 1.13 0.08 -0.79 -1.04 117.98 118.50 1ohs s PHE 30 Ca 0.09 0.50 -0.11 0.00 0.12 0.00 0.00 56.93 57.52 1ohs s PHE 30 Cb 0.08 -1.96 0.08 0.00 -0.57 0.00 0.00 43.02 40.65 1ohs s PHE 30 CO 0.64 0.47 1.09 0.00 -0.10 0.00 0.00 175.22 177.32 1ohs s ALA 31 N -1.61 2.07 0.32 5.36 0.00 -0.50 -4.79 121.76 122.61 1ohs s ALA 31 Ca 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1ohs s ALA 31 Cb -0.12 -3.17 0.56 0.00 0.00 0.00 0.00 23.12 20.39 1ohs s ALA 31 CO 0.25 -1.88 1.94 -0.44 0.00 0.00 0.00 175.76 175.63 1ohs h ASP 32 N -1.20 0.85 -0.55 0.00 3.45 -1.95 -2.28 116.42 114.74 1ohs h ASP 32 Ca -0.47 -0.00 -0.13 0.00 0.43 0.00 0.00 57.03 56.86 1ohs h ASP 32 Cb 1.26 -0.19 -0.07 0.00 -0.56 0.00 0.00 39.33 39.77 1ohs h ASP 32 CO 0.56 0.57 0.12 -0.90 -1.57 0.00 0.00 179.24 178.02 1ohs n ASP 33 N -4.46 4.48 -4.70 6.45 5.75 -1.26 -2.30 116.55 120.50 1ohs n ASP 33 Ca 0.11 -3.19 -0.31 0.00 -0.01 0.00 0.00 54.79 51.39 1ohs n ASP 33 Cb 0.15 -0.67 0.14 0.00 -1.03 0.00 0.00 41.12 39.71 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 -2.95 1.73 0.01 2.12 0.00 -0.86 -4.50 121.76 117.32 1ohs s ALA 34 Ca 0.51 0.56 0.06 0.00 0.00 0.00 0.00 51.96 53.09 1ohs s ALA 34 Cb 0.41 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 1ohs s ALA 34 CO 0.11 -2.43 -0.18 0.95 0.00 0.00 0.00 175.76 174.21 1ohs s THR 35 N -2.62 1.45 -0.14 0.00 -4.23 -0.95 -1.51 115.64 107.65 1ohs s THR 35 Ca 0.66 -0.95 -0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1ohs s THR 35 Cb -0.22 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.40 1ohs s THR 35 CO 0.56 0.27 -0.11 -0.69 -0.54 0.00 0.00 174.62 174.11 1ohs s VAL 36 N -0.62 1.32 -0.38 2.29 1.01 0.09 -1.37 120.40 122.74 1ohs s VAL 36 Ca 0.06 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ohs s VAL 36 Cb -0.08 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 35.09 1ohs s VAL 36 CO 0.00 0.39 0.16 -0.70 0.00 0.00 0.00 175.10 174.96 1ohs s GLU 37 N 1.59 2.35 -0.14 2.72 2.12 0.29 -0.03 118.70 127.60 1ohs s GLU 37 Ca 0.05 -1.51 -0.03 0.00 0.36 0.00 0.00 54.97 53.84 1ohs s GLU 37 Cb -0.13 -3.53 0.05 0.00 0.26 0.00 0.00 34.13 30.78 1ohs s GLU 37 CO -0.09 -0.88 0.05 1.21 -0.54 0.00 0.00 175.26 175.01 1ohs s ASN 38 N 1.72 2.17 0.75 -1.70 2.47 -1.26 -1.63 114.94 117.46 1ohs s ASN 38 Ca 0.02 -0.46 -0.03 0.00 0.42 0.00 0.00 52.86 52.81 1ohs s ASN 38 Cb -0.22 -0.36 0.14 0.00 -1.45 0.00 0.00 41.25 39.36 1ohs s ASN 38 CO -0.01 -0.29 1.04 -2.16 -3.72 0.00 0.00 177.10 171.96 1ohs s PRO 39 N 2.03 1.54 0.27 0.43 0.04 -1.26 -4.88 135.00 133.18 1ohs s PRO 39 Ca 0.02 -1.02 -0.30 0.00 0.04 0.00 0.00 61.00 59.75 1ohs s PRO 39 Cb -0.15 -2.26 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 1ohs s PRO 39 CO -0.07 -1.58 1.37 0.28 0.04 0.00 0.00 177.00 177.04 1ohs n VAL 40 N -2.96 1.28 0.00 -0.36 0.31 -0.61 -1.97 118.33 114.02 1ohs n VAL 40 Ca 0.15 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1ohs n VAL 40 Cb 0.60 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 1.73 1.16 3.94 2.92 0.00 -1.26 -4.95 105.19 108.73 1ohs n GLY 41 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.81 5.73 0.08 1.61 1.04 -0.83 -5.05 113.70 114.47 1ohs s SER 42 Ca 0.00 -0.30 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 1ohs s SER 42 Cb 0.00 -1.15 -0.09 0.00 0.10 0.00 0.00 66.02 64.88 1ohs s SER 42 CO 0.00 -0.39 1.72 -1.61 0.98 0.00 0.00 173.24 173.94 1ohs s GLU 43 N -4.10 4.18 0.41 4.02 0.41 -1.26 -4.80 118.70 117.55 1ohs s GLU 43 Ca 0.43 2.41 -0.26 0.00 -0.41 0.00 0.00 54.97 57.14 1ohs s GLU 43 Cb -0.08 -3.64 -0.09 0.00 -1.78 0.00 0.00 34.13 28.54 1ohs s GLU 43 CO 0.29 -0.78 1.32 -2.14 -0.49 0.00 0.00 175.26 173.47 1ohs s PRO 44 N 2.82 3.95 0.14 0.39 0.02 -1.26 -4.77 135.00 136.29 1ohs s PRO 44 Ca 0.77 2.20 -0.24 0.00 0.02 0.00 0.00 61.00 63.75 1ohs s PRO 44 Cb -0.41 -2.76 -0.08 0.00 0.02 0.00 0.00 34.50 31.27 1ohs s PRO 44 CO 0.34 -0.52 0.73 1.03 -0.33 0.00 0.00 177.00 178.24 1ohs s ARG 45 N -2.25 4.48 -0.04 5.54 3.00 0.96 -4.87 118.95 125.78 1ohs s ARG 45 Ca 0.57 1.06 0.03 0.00 0.00 0.00 0.00 55.73 57.39 1ohs s ARG 45 Cb -0.39 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.30 1ohs s ARG 45 CO 0.50 0.58 -0.13 0.45 0.00 0.00 0.00 175.30 176.70 1ohs s SER 46 N -1.10 1.76 0.00 0.23 0.15 -1.26 -0.74 113.70 112.75 1ohs s SER 46 Ca 0.34 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ohs s SER 46 Cb -0.22 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1ohs s SER 46 CO 0.25 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1ohs n GLY 47 N 3.34 1.28 0.25 9.45 0.00 -0.57 -4.32 105.19 114.62 1ohs n GLY 47 Ca -0.19 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 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 0.92 -0.07 2.61 2.02 -1.73 -1.23 112.91 115.43 1ohs h THR 48 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ohs h THR 48 Cb 0.00 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1ohs h THR 48 CO 0.00 0.11 0.04 0.00 0.37 0.00 0.00 175.52 176.04 1ohs h ALA 49 N 1.36 0.09 -0.65 6.16 0.00 -1.90 -0.39 119.26 123.94 1ohs h ALA 49 Ca 0.30 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ohs h ALA 49 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ohs h ALA 49 CO -0.21 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.70 1ohs h ALA 50 N 1.03 0.92 -0.54 0.00 0.00 -1.70 -2.00 119.26 116.96 1ohs h ALA 50 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ohs h ALA 50 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1ohs h ALA 50 CO -0.01 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.81 1ohs h ILE 51 N 1.01 1.25 -0.61 0.00 2.04 -1.04 -1.25 117.51 118.90 1ohs h ILE 51 Ca 0.20 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1ohs h ILE 51 Cb 0.46 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1ohs h ILE 51 CO 0.02 0.35 0.27 -0.09 0.00 0.00 0.00 178.15 178.69 1ohs h ARG 52 N 0.79 0.90 -0.28 2.37 2.43 -0.91 -1.92 114.38 117.77 1ohs h ARG 52 Ca 0.16 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ohs h ARG 52 Cb 0.41 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1ohs h ARG 52 CO 0.01 0.75 0.13 1.49 -1.51 0.00 0.00 179.97 180.85 1ohs h GLU 53 N 0.85 0.40 -0.09 0.20 4.81 -1.14 -0.89 114.58 118.71 1ohs h GLU 53 Ca 0.21 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1ohs h GLU 53 Cb 0.17 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1ohs h GLU 53 CO -0.02 0.38 -0.14 0.35 -0.73 0.00 0.00 179.01 178.86 1ohs h PHE 54 N 0.31 -0.35 0.00 0.92 3.57 -0.99 -1.92 116.94 118.48 1ohs h PHE 54 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 1ohs h PHE 54 Cb 0.12 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1ohs h PHE 54 CO -0.02 -0.20 -0.33 1.88 -2.23 0.00 0.00 178.31 177.41 1ohs h TYR 55 N -0.18 0.00 -0.18 0.41 -1.99 -1.24 -0.54 116.97 113.24 1ohs h TYR 55 Ca 0.08 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 1ohs h TYR 55 Cb 0.30 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1ohs h TYR 55 CO -0.24 0.33 0.05 0.00 -0.00 0.00 0.00 178.16 178.30 1ohs h ALA 56 N 1.67 0.24 -0.18 3.88 0.00 -0.60 -1.34 119.26 122.94 1ohs h ALA 56 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1ohs h ALA 56 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ohs h ALA 56 CO 0.04 -0.13 -0.41 -0.91 0.00 0.00 0.00 179.25 177.84 1ohs h ASN 57 N 0.12 0.43 0.87 0.00 2.35 -1.16 -2.76 115.58 115.44 1ohs h ASN 57 Ca 0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1ohs h ASN 57 Cb 0.24 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1ohs h ASN 57 CO -0.00 0.80 0.00 0.28 -1.65 0.00 0.00 177.43 176.86 1ohs h SER 58 N 0.34 0.00 -0.15 5.81 0.02 -0.84 -2.94 113.55 115.79 1ohs h SER 58 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ohs h SER 58 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1ohs h SER 58 CO 0.07 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.94 1ohs n LEU 59 N -2.50 2.64 -0.27 5.07 4.77 -0.53 -4.54 117.00 121.64 1ohs n LEU 59 Ca 0.02 -1.27 0.14 0.00 -0.03 0.00 0.00 56.01 54.87 1ohs n LEU 59 Cb 0.27 -0.09 0.41 0.00 -2.33 0.00 0.00 43.42 41.67 1ohs n LEU 59 CO 0.23 0.53 1.22 0.11 -1.33 0.00 0.00 177.39 178.15 1ohs h LYS 60 N 3.18 0.60 -5.28 3.23 1.79 -1.37 -3.37 116.57 115.35 1ohs h LYS 60 Ca 0.00 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 57.81 1ohs h LYS 60 Cb 0.73 -0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 31.07 1ohs h LYS 60 CO 0.00 0.40 -0.58 -1.17 -1.08 0.00 0.00 179.45 177.02 1ohs s LEU 61 N -9.75 3.72 0.07 2.94 2.96 -1.26 -5.05 118.68 112.30 1ohs s LEU 61 Ca -0.10 0.04 -0.35 0.00 -0.22 0.00 0.00 54.13 53.51 1ohs s LEU 61 Cb 0.22 -1.93 -0.14 0.00 0.50 0.00 0.00 46.19 44.84 1ohs s LEU 61 CO 0.79 0.17 1.57 -0.81 -1.32 0.00 0.00 176.35 176.75 1ohs n PRO 62 N 3.55 1.81 -4.96 0.98 -0.04 -1.26 -4.98 135.00 130.11 1ohs n PRO 62 Ca -0.17 0.66 -0.32 0.00 -0.04 0.00 0.00 63.50 63.63 1ohs n PRO 62 Cb 0.52 -2.40 -0.14 0.00 -0.04 0.00 0.00 33.50 31.44 1ohs n PRO 62 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ohs s LEU 63 N 1.47 2.59 -0.39 1.53 1.43 -1.26 -4.59 118.68 119.45 1ohs s LEU 63 Ca 0.84 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.56 1ohs s LEU 63 Cb -0.78 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 43.97 1ohs s LEU 63 CO 0.44 0.30 0.22 0.00 0.23 0.00 0.00 176.35 177.54 1ohs s ALA 64 N -0.46 3.26 -0.14 4.21 0.00 -0.71 -4.42 121.76 123.50 1ohs s ALA 64 Ca 0.05 -1.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.05 1ohs s ALA 64 Cb -0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1ohs s ALA 64 CO 0.02 -1.52 -0.04 0.08 0.00 0.00 0.00 175.76 174.30 1ohs s VAL 65 N 1.47 3.88 -0.03 0.00 1.01 -1.26 -1.17 120.40 124.31 1ohs s VAL 65 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1ohs s VAL 65 Cb -0.21 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1ohs s VAL 65 CO 0.04 0.51 0.05 -1.61 0.00 0.00 0.00 175.10 174.09 1ohs s GLU 66 N 0.18 -0.01 0.03 2.72 0.41 -0.78 -4.89 118.70 116.36 1ohs s GLU 66 Ca -0.02 0.19 -0.30 0.00 -0.41 0.00 0.00 54.97 54.43 1ohs s GLU 66 Cb -0.14 -0.19 -0.05 0.00 -1.78 0.00 0.00 34.13 31.97 1ohs s GLU 66 CO 0.03 -0.14 1.30 -0.51 -0.49 0.00 0.00 175.26 175.45 1ohs s LEU 67 N 0.88 4.33 0.00 1.80 1.43 -1.26 -1.66 118.68 124.21 1ohs s LEU 67 Ca -0.07 2.06 0.22 0.00 -1.03 0.00 0.00 54.13 55.31 1ohs s LEU 67 Cb -0.10 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.41 1ohs s LEU 67 CO -0.03 -0.61 0.98 0.35 0.23 0.00 0.00 176.35 177.27 1ohs n THR 68 N 4.33 0.00 -3.99 5.49 -2.24 -0.89 -4.97 114.28 112.01 1ohs n THR 68 Ca 0.11 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1ohs n THR 68 Cb 0.45 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 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 -2.81 1.60 0.73 -0.78 -0.21 -1.25 -5.03 119.66 111.90 1ohs s GLN 69 Ca 0.12 -1.28 -0.15 0.00 0.02 0.00 0.00 55.36 54.07 1ohs s GLN 69 Cb 0.17 0.48 0.04 0.00 1.00 0.00 0.00 33.01 34.69 1ohs s GLN 69 CO 0.76 -0.67 1.19 -1.83 -2.12 0.00 0.00 175.29 172.62 1ohs s GLU 70 N -3.91 2.19 0.20 2.91 -1.05 -1.26 -4.75 118.70 113.02 1ohs s GLU 70 Ca 0.22 1.70 -0.27 0.00 -0.15 0.00 0.00 54.97 56.47 1ohs s GLU 70 Cb -0.01 -1.85 -0.08 0.00 -0.44 0.00 0.00 34.13 31.75 1ohs s GLU 70 CO 0.10 -1.78 0.85 0.08 0.95 0.00 0.00 175.26 175.46 1ohs s VAL 71 N -2.06 4.23 -0.22 1.83 1.01 -1.26 -4.74 120.40 119.19 1ohs s VAL 71 Ca 0.73 1.89 -0.10 0.00 0.00 0.00 0.00 61.98 64.50 1ohs s VAL 71 Cb -0.28 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1ohs s VAL 71 CO 0.45 0.51 0.14 -0.13 0.00 0.00 0.00 175.10 176.07 1ohs s ARG 72 N -1.14 4.10 -0.10 2.72 3.00 -0.63 -5.00 118.95 121.89 1ohs s ARG 72 Ca 0.38 -0.26 -0.06 0.00 0.00 0.00 0.00 55.73 55.79 1ohs s ARG 72 Cb -0.24 -3.46 0.04 0.00 0.00 0.00 0.00 34.95 31.28 1ohs s ARG 72 CO 0.29 0.16 0.24 0.00 0.00 0.00 0.00 175.30 175.99 1ohs s ALA 73 N 0.75 -0.57 -0.16 2.13 0.00 -1.26 -0.82 121.76 121.84 1ohs s ALA 73 Ca 0.07 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1ohs s ALA 73 Cb -0.13 -0.58 0.13 0.00 0.00 0.00 0.00 23.12 22.55 1ohs s ALA 73 CO 0.02 -0.18 1.02 0.54 0.00 0.00 0.00 175.76 177.16 1ohs s VAL 74 N 1.00 0.00 -0.93 0.00 0.11 0.00 -4.86 120.40 115.72 1ohs s VAL 74 Ca -0.07 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.75 1ohs s VAL 74 Cb -0.08 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1ohs s VAL 74 CO -0.07 0.00 0.54 0.00 -3.33 0.00 0.00 175.10 172.25 1ohs n ALA 75 N 0.65 -2.37 -1.52 1.54 0.00 -1.26 -0.75 120.51 116.81 1ohs n ALA 75 Ca -0.09 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 52.73 1ohs n ALA 75 Cb 0.58 -1.75 -0.08 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.69 -5.48 -4.06 0.00 3.02 -1.26 -4.97 115.26 100.83 1ohs n ASN 76 Ca -0.13 0.44 -0.11 0.00 -0.03 0.00 0.00 54.58 54.75 1ohs n ASN 76 Cb 0.48 -4.55 -0.11 0.00 -0.61 0.00 0.00 39.78 35.00 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 -3.50 0.52 -0.01 3.52 2.02 0.07 -0.67 118.70 120.65 1ohs s GLU 77 Ca 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 54.97 54.07 1ohs s GLU 77 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1ohs s GLU 77 CO 0.00 -0.00 0.15 0.00 0.02 0.00 0.00 175.26 175.43 1ohs s ALA 78 N -1.94 -0.37 0.01 5.21 0.00 -0.36 -0.82 121.76 123.50 1ohs s ALA 78 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1ohs s ALA 78 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ohs s ALA 78 CO -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 175.76 175.51 1ohs s ALA 79 N -1.20 0.23 -0.03 0.00 0.00 0.00 -0.17 121.76 120.59 1ohs s ALA 79 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1ohs s ALA 79 Cb -0.07 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1ohs s ALA 79 CO 0.02 -0.02 0.26 -0.59 0.00 0.00 0.00 175.76 175.43 1ohs s PHE 80 N -0.65 -0.16 -0.10 0.00 -0.71 -0.67 -1.61 117.98 114.08 1ohs s PHE 80 Ca -0.05 0.30 -0.06 0.00 -1.04 0.00 0.00 56.93 56.08 1ohs s PHE 80 Cb -0.05 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 1ohs s PHE 80 CO -0.00 -0.31 0.12 0.00 -1.34 0.00 0.00 175.22 173.69 1ohs s ALA 81 N -0.97 3.78 0.28 1.99 0.00 -1.26 -1.43 121.76 124.15 1ohs s ALA 81 Ca -0.10 -0.68 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1ohs s ALA 81 Cb -0.05 -1.88 0.07 0.00 0.00 0.00 0.00 23.12 21.26 1ohs s ALA 81 CO 0.03 0.62 0.92 -0.59 0.00 0.00 0.00 175.76 176.74 1ohs s PHE 82 N -1.03 0.10 0.10 0.00 -0.12 -1.16 -2.10 117.98 113.78 1ohs s PHE 82 Ca 0.16 -0.64 0.03 0.00 -0.05 0.00 0.00 56.93 56.43 1ohs s PHE 82 Cb -0.12 0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1ohs s PHE 82 CO 0.05 -1.24 -0.09 0.96 -0.05 0.00 0.00 175.22 174.85 1ohs s ILE 83 N -2.19 0.92 -0.10 -4.49 -0.00 -0.66 -3.22 121.20 111.45 1ohs s ILE 83 Ca 0.19 -1.75 -0.01 0.00 -0.00 0.00 0.00 60.65 59.09 1ohs s ILE 83 Cb -0.04 -1.48 0.03 0.00 -0.00 0.00 0.00 42.46 40.97 1ohs s ILE 83 CO 0.08 -0.64 -0.06 -0.69 -0.00 0.00 0.00 174.94 173.63 1ohs s VAL 84 N -2.78 0.87 0.00 8.37 1.01 0.22 -1.86 120.40 126.24 1ohs s VAL 84 Ca 0.08 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1ohs s VAL 84 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1ohs s VAL 84 CO -0.01 0.34 -0.23 -0.44 0.00 0.00 0.00 175.10 174.76 1ohs s SER 85 N 1.74 3.36 0.27 3.32 0.01 -0.32 -0.69 113.70 121.40 1ohs s SER 85 Ca 0.04 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.65 1ohs s SER 85 Cb -0.13 -0.45 0.02 0.00 0.21 0.00 0.00 66.02 65.67 1ohs s SER 85 CO -0.07 0.30 0.69 0.72 0.41 0.00 0.00 173.24 175.28 1ohs s PHE 86 N -0.74 -0.13 -0.00 2.43 -0.12 -0.75 -1.73 117.98 116.94 1ohs s PHE 86 Ca 0.11 -0.32 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 1ohs s PHE 86 Cb -0.10 0.65 -0.00 0.00 -0.63 0.00 0.00 43.02 42.93 1ohs s PHE 86 CO 0.01 -1.21 0.09 -2.00 -0.05 0.00 0.00 175.22 172.07 1ohs s GLU 87 N -3.93 0.37 -0.23 1.99 2.12 -1.26 -1.19 118.70 116.56 1ohs s GLU 87 Ca 0.12 -0.34 -0.11 0.00 0.36 0.00 0.00 54.97 55.00 1ohs s GLU 87 Cb -0.05 0.15 0.08 0.00 0.26 0.00 0.00 34.13 34.57 1ohs s GLU 87 CO 0.07 -0.08 0.54 -0.47 -0.54 0.00 0.00 175.26 174.78 1ohs s TYR 88 N -1.11 -0.90 -1.30 5.30 5.04 -0.90 -4.93 117.35 118.56 1ohs s TYR 88 Ca -0.12 1.77 -0.05 0.00 -2.44 0.00 0.00 57.07 56.23 1ohs s TYR 88 Cb -0.07 0.48 0.01 0.00 0.35 0.00 0.00 41.96 42.73 1ohs s TYR 88 CO 0.01 -0.48 1.06 1.04 -1.34 0.00 0.00 175.55 175.84 1ohs n GLN 89 N 4.62 -7.04 -1.26 4.97 1.13 -1.26 -1.85 117.38 116.69 1ohs n GLN 89 Ca -0.18 0.81 -0.09 0.00 -1.94 0.00 0.00 57.00 55.60 1ohs n GLN 89 Cb 0.55 -5.81 -0.04 0.00 0.11 0.00 0.00 30.24 25.05 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 -1.57 0.91 3.29 1.08 0.00 -1.26 -4.96 105.19 102.67 1ohs n GLY 90 Ca -0.14 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1ohs n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ohs s ARG 91 N -2.63 3.24 0.04 1.61 3.00 -0.77 -5.09 118.95 118.35 1ohs s ARG 91 Ca 0.00 -0.72 -0.19 0.00 -1.00 0.00 0.00 55.73 53.83 1ohs s ARG 91 Cb 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 34.95 31.83 1ohs s ARG 91 CO 0.00 -0.27 0.54 0.15 0.00 0.00 0.00 175.30 175.72 1ohs s LYS 92 N 1.45 4.17 -0.01 5.12 1.02 -1.23 -2.11 119.74 128.15 1ohs s LYS 92 Ca 0.04 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.72 1ohs s LYS 92 Cb -0.15 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1ohs s LYS 92 CO -0.03 0.59 -0.09 0.99 -0.92 0.00 0.00 175.35 175.89 1ohs s THR 93 N -0.89 0.74 -0.12 2.17 2.01 -0.34 -1.05 115.64 118.17 1ohs s THR 93 Ca 0.28 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1ohs s THR 93 Cb -0.19 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.73 1ohs s THR 93 CO 0.17 0.21 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.55 1ohs s VAL 94 N -0.15 1.07 -0.14 3.82 1.01 -0.05 -1.81 120.40 124.14 1ohs s VAL 94 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1ohs s VAL 94 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1ohs s VAL 94 CO -0.00 0.34 0.03 -0.69 0.00 0.00 0.00 175.10 174.77 1ohs s VAL 95 N 1.69 4.50 -0.62 2.92 1.01 0.14 -0.13 120.40 129.91 1ohs s VAL 95 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1ohs s VAL 95 Cb -0.13 -2.97 0.15 0.00 0.00 0.00 0.00 36.38 33.44 1ohs s VAL 95 CO -0.08 0.53 0.38 0.00 0.00 0.00 0.00 175.10 175.93 1ohs s ALA 96 N -0.20 3.57 0.70 5.51 0.00 0.25 -0.61 121.76 130.99 1ohs s ALA 96 Ca 0.06 -3.56 0.01 0.00 0.00 0.00 0.00 51.96 48.47 1ohs s ALA 96 Cb -0.12 -2.18 0.12 0.00 0.00 0.00 0.00 23.12 20.94 1ohs s ALA 96 CO 0.02 -2.06 0.97 -2.14 0.00 0.00 0.00 175.76 172.55 1ohs s PRO 97 N -0.87 1.74 -0.12 0.00 0.02 -1.20 -4.87 135.00 129.71 1ohs s PRO 97 Ca 0.21 -1.22 -0.01 0.00 0.02 0.00 0.00 61.00 59.99 1ohs s PRO 97 Cb -0.15 -2.38 0.03 0.00 0.02 0.00 0.00 34.50 32.02 1ohs s PRO 97 CO -0.08 -1.38 -0.03 0.42 -0.33 0.00 0.00 177.00 175.60 1ohs s ILE 98 N -3.08 0.72 -0.00 2.83 1.01 -0.84 -2.97 121.20 118.87 1ohs s ILE 98 Ca 0.66 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 1ohs s ILE 98 Cb -0.05 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1ohs s ILE 98 CO 0.44 0.21 0.22 -1.81 0.00 0.00 0.00 174.94 174.00 1ohs s ASP 99 N 1.82 6.43 -0.12 3.58 1.11 -0.52 -0.95 116.67 128.02 1ohs s ASP 99 Ca 0.04 0.45 0.02 0.00 0.18 0.00 0.00 52.55 53.24 1ohs s ASP 99 Cb -0.13 -2.04 0.01 0.00 1.07 0.00 0.00 42.92 41.82 1ohs s ASP 99 CO -0.07 0.26 -0.18 -2.28 1.18 0.00 0.00 175.17 174.07 1ohs s HIS 100 N -1.32 2.26 -0.05 4.23 5.65 -0.08 -1.67 115.29 124.32 1ohs s HIS 100 Ca 0.27 -1.08 0.05 0.00 0.25 0.00 0.00 55.06 54.55 1ohs s HIS 100 Cb -0.13 -1.58 -0.02 0.00 -1.18 0.00 0.00 32.58 29.67 1ohs s HIS 100 CO 0.17 -0.52 -0.18 -0.06 -0.65 0.00 0.00 174.74 173.50 1ohs s PHE 101 N 0.86 2.59 -0.07 3.88 0.40 0.76 -1.41 117.98 124.99 1ohs s PHE 101 Ca -0.08 -0.33 0.05 0.00 -0.60 0.00 0.00 56.93 55.97 1ohs s PHE 101 Cb -0.15 -1.61 -0.00 0.00 0.51 0.00 0.00 43.02 41.76 1ohs s PHE 101 CO -0.01 0.06 -0.22 0.50 0.70 0.00 0.00 175.22 176.25 1ohs s ARG 102 N -0.55 2.55 0.17 0.44 3.52 -0.19 -1.22 118.95 123.68 1ohs s ARG 102 Ca 0.08 -0.80 0.07 0.00 -0.13 0.00 0.00 55.73 54.94 1ohs s ARG 102 Cb -0.11 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1ohs s ARG 102 CO 0.01 0.24 0.03 -0.06 -0.81 0.00 0.00 175.30 174.71 1ohs s PHE 103 N 0.15 2.90 0.63 5.12 0.40 0.16 -0.40 117.98 126.95 1ohs s PHE 103 Ca -0.11 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 1ohs s PHE 103 Cb -0.15 -1.40 0.11 0.00 0.51 0.00 0.00 43.02 42.08 1ohs s PHE 103 CO 0.06 0.52 0.87 0.54 0.70 0.00 0.00 175.22 177.91 1ohs s ASN 104 N -2.99 4.80 0.52 1.36 6.03 -0.34 -4.83 114.94 119.49 1ohs s ASN 104 Ca 0.28 -0.74 0.16 0.00 -1.03 0.00 0.00 52.86 51.54 1ohs s ASN 104 Cb -0.09 0.29 1.27 0.00 -3.03 0.00 0.00 41.25 39.69 1ohs s ASN 104 CO 0.20 -1.56 2.14 1.23 -2.03 0.00 0.00 177.10 177.08 1ohs h GLY 105 N -0.09 0.00 1.54 0.45 0.00 -2.00 -1.19 103.07 101.78 1ohs h GLY 105 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ohs h GLY 105 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.94 1ohs n ALA 106 N -2.53 2.32 -0.58 3.60 0.00 -1.26 -3.06 120.51 119.00 1ohs n ALA 106 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1ohs n ALA 106 Cb 0.10 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.92 0.73 3.90 0.00 0.00 -0.45 -4.91 105.19 105.38 1ohs n GLY 107 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.42 3.63 -0.27 1.61 -0.14 -1.26 -4.83 119.74 118.06 1ohs s LYS 108 Ca 0.00 -0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.28 1ohs s LYS 108 Cb 0.00 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 1ohs s LYS 108 CO 0.00 0.29 1.15 0.08 -0.76 0.00 0.00 175.35 176.11 1ohs s VAL 109 N -1.96 4.43 -0.50 3.17 1.01 -0.20 -1.19 120.40 125.15 1ohs s VAL 109 Ca 0.43 1.67 0.22 0.00 0.00 0.00 0.00 61.98 64.31 1ohs s VAL 109 Cb -0.11 -4.26 -0.17 0.00 0.00 0.00 0.00 36.38 31.84 1ohs s VAL 109 CO 0.28 -0.35 0.89 1.33 0.00 0.00 0.00 175.10 177.26 1ohs n VAL 110 N 5.73 0.15 -3.67 2.92 0.24 0.46 -1.41 118.33 122.76 1ohs n VAL 110 Ca 0.13 -0.30 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1ohs n VAL 110 Cb 0.46 0.21 -0.08 0.00 -1.47 0.00 0.00 33.84 32.96 1ohs n VAL 110 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ohs s SER 111 N -4.07 -0.72 -0.05 -1.34 0.15 -1.07 -2.23 113.70 104.37 1ohs s SER 111 Ca 0.01 1.24 0.03 0.00 0.70 0.00 0.00 55.95 57.93 1ohs s SER 111 Cb 0.14 1.16 0.01 0.00 -1.71 0.00 0.00 66.02 65.62 1ohs s SER 111 CO 0.83 -0.22 -0.11 -0.32 1.20 0.00 0.00 173.24 174.63 1ohs s MET 112 N 1.15 1.36 -0.07 5.44 0.00 -0.47 -1.02 119.30 125.69 1ohs s MET 112 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 55.69 55.25 1ohs s MET 112 Cb -0.06 -1.19 0.02 0.00 0.00 0.00 0.00 34.83 33.61 1ohs s MET 112 CO -0.11 0.08 -0.05 1.03 0.00 0.00 0.00 175.02 175.97 1ohs s ARG 113 N 0.43 1.01 -0.39 4.11 0.52 -0.50 -0.55 118.95 123.59 1ohs s ARG 113 Ca -0.09 -0.10 -0.12 0.00 -0.52 0.00 0.00 55.73 54.90 1ohs s ARG 113 Cb -0.13 -1.12 0.04 0.00 0.52 0.00 0.00 34.95 34.26 1ohs s ARG 113 CO 0.02 -0.19 0.23 0.00 0.02 0.00 0.00 175.30 175.39 1ohs s ALA 114 N 1.42 3.32 -0.34 2.13 0.00 -0.65 -0.90 121.76 126.74 1ohs s ALA 114 Ca -0.02 -1.79 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 1ohs s ALA 114 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1ohs s ALA 114 CO -0.03 -1.45 0.36 -1.17 0.00 0.00 0.00 175.76 173.47 1ohs s LEU 115 N 1.56 4.46 -0.19 0.00 0.20 -0.13 -1.58 118.68 123.00 1ohs s LEU 115 Ca 0.02 -0.25 -0.29 0.00 0.69 0.00 0.00 54.13 54.31 1ohs s LEU 115 Cb -0.20 -2.34 0.12 0.00 -0.43 0.00 0.00 46.19 43.35 1ohs s LEU 115 CO 0.07 -0.35 1.00 0.72 -0.29 0.00 0.00 176.35 177.50 1ohs s PHE 116 N 2.02 -0.41 0.25 5.38 -0.71 -1.26 -1.99 117.98 121.26 1ohs s PHE 116 Ca 0.12 0.80 0.00 0.00 -1.04 0.00 0.00 56.93 56.81 1ohs s PHE 116 Cb -0.17 0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1ohs s PHE 116 CO 0.12 -0.31 0.01 0.41 -1.34 0.00 0.00 175.22 174.10 1ohs n GLY 117 N 1.18 3.86 0.30 1.99 0.00 -1.26 -4.79 105.19 106.47 1ohs n GLY 117 Ca -0.11 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.73 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 0.21 0.00 1.61 4.39 -2.03 -0.35 114.58 118.41 1ohs h GLU 118 Ca -0.21 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ohs h GLU 118 Cb 0.64 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1ohs h GLU 118 CO 0.34 0.14 0.00 0.36 -1.16 0.00 0.00 179.01 178.69 1ohs n LYS 119 N -4.50 0.05 -0.23 2.33 2.85 -1.26 -1.60 118.16 115.80 1ohs n LYS 119 Ca 0.02 0.30 0.11 0.00 -1.05 0.00 0.00 58.31 57.68 1ohs n LYS 119 Cb 0.16 -1.60 0.23 0.00 -0.65 0.00 0.00 35.03 33.18 1ohs n LYS 119 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ohs n ASN 120 N -1.69 3.49 -4.28 -5.58 5.03 -0.15 -4.77 115.26 107.31 1ohs n ASN 120 Ca 0.03 -1.97 -0.38 0.00 0.87 0.00 0.00 54.58 53.13 1ohs n ASN 120 Cb 0.18 -0.30 -0.12 0.00 -1.02 0.00 0.00 39.78 38.52 1ohs n ASN 120 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ohs s ILE 121 N -1.27 3.91 -0.33 2.41 1.01 -0.63 -0.58 121.20 125.71 1ohs s ILE 121 Ca 0.39 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 1ohs s ILE 121 Cb 0.22 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1ohs s ILE 121 CO 0.30 -0.22 0.15 -1.00 0.00 0.00 0.00 174.94 174.17 1ohs s HIS 122 N 1.42 3.20 0.39 3.97 3.76 0.81 -4.97 115.29 123.87 1ohs s HIS 122 Ca -0.01 -0.87 -0.02 0.00 -0.15 0.00 0.00 55.06 54.01 1ohs s HIS 122 Cb -0.20 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 1ohs s HIS 122 CO 0.03 -0.58 0.63 0.00 -0.85 0.00 0.00 174.74 173.97 1ohs s ALA 123 N 1.55 3.59 0.00 -1.40 0.00 -1.26 -0.87 121.76 123.36 1ohs s ALA 123 Ca 0.03 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1ohs s ALA 123 Cb -0.18 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1ohs s ALA 123 CO 0.05 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1ohs n GLY 124 N -1.85 2.23 0.00 0.00 0.00 -0.21 -4.98 105.19 100.39 1ohs n GLY 124 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1ohs n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32