#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qso s ILE 9 N 0.00 1.87 -0.10 1.53 -1.09 -1.26 -2.71 121.20 119.44 1qso s ILE 9 Ca 0.00 -1.03 0.04 0.00 -2.23 0.00 0.00 60.65 57.43 1qso s ILE 9 Cb 0.00 -1.55 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 1qso s ILE 9 CO 0.00 0.51 -0.24 -0.89 -1.23 0.00 0.00 174.94 173.09 1qso s THR 10 N -0.57 2.09 -0.23 2.92 2.01 -0.28 -4.94 115.64 116.64 1qso s THR 10 Ca 0.09 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1qso s THR 10 Cb -0.09 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.64 1qso s THR 10 CO -0.01 0.56 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.72 1qso s VAL 11 N 0.35 2.98 0.16 3.82 1.01 -1.26 0.81 120.40 128.27 1qso s VAL 11 Ca -0.18 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1qso s VAL 11 Cb -0.18 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1qso s VAL 11 CO 0.09 0.31 0.08 0.00 0.00 0.00 0.00 175.10 175.58 1qso s ARG 12 N 1.38 1.05 0.61 2.72 1.70 -0.54 -4.97 118.95 120.91 1qso s ARG 12 Ca 0.03 -1.52 -0.17 0.00 -0.47 0.00 0.00 55.73 53.59 1qso s ARG 12 Cb -0.15 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1qso s ARG 12 CO -0.05 -0.30 1.16 -0.06 -1.08 0.00 0.00 175.30 174.97 1qso s PHE 13 N -4.05 2.49 0.18 5.89 0.40 -1.26 -0.34 117.98 121.29 1qso s PHE 13 Ca 0.30 1.55 -0.30 0.00 -0.60 0.00 0.00 56.93 57.87 1qso s PHE 13 Cb 0.07 -3.34 -0.08 0.00 0.51 0.00 0.00 43.02 40.19 1qso s PHE 13 CO 0.06 -1.94 1.00 0.54 0.70 0.00 0.00 175.22 175.58 1qso s VAL 14 N -1.90 4.12 0.40 -0.44 0.11 0.26 -4.72 120.40 118.23 1qso s VAL 14 Ca 0.73 1.92 0.08 0.00 -2.93 0.00 0.00 61.98 61.77 1qso s VAL 14 Cb -0.26 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.36 1qso s VAL 14 CO 0.35 0.37 0.43 0.42 -3.33 0.00 0.00 175.10 173.34 1qso s THR 15 N -0.55 2.97 0.54 5.04 -4.23 -1.26 -4.92 115.64 113.23 1qso s THR 15 Ca 0.45 -1.23 0.22 0.00 -1.18 0.00 0.00 61.69 59.96 1qso s THR 15 Cb -0.26 -3.05 0.33 0.00 1.34 0.00 0.00 72.50 70.85 1qso s THR 15 CO 0.33 -0.03 2.11 -0.08 -0.54 0.00 0.00 174.62 176.40 1qso h GLU 16 N 0.94 0.00 0.00 3.99 4.81 -2.00 -1.00 114.58 121.32 1qso h GLU 16 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1qso h GLU 16 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1qso h GLU 16 CO 0.54 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.91 1qso n ASN 17 N -4.30 0.43 -1.74 1.04 3.02 -1.26 -2.95 115.26 109.49 1qso n ASN 17 Ca 0.01 0.57 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 1qso n ASN 17 Cb 0.28 -0.68 0.38 0.00 -0.61 0.00 0.00 39.78 39.15 1qso n ASN 17 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qso n ASP 18 N -1.94 5.23 -0.18 6.41 8.00 -0.38 -4.43 116.55 129.26 1qso n ASP 18 Ca 0.04 -2.72 -0.10 0.00 0.71 0.00 0.00 54.79 52.72 1qso n ASP 18 Cb 0.29 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 1qso n ASP 18 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1qso h LYS 19 N 3.91 0.96 -0.17 -1.24 3.64 -1.67 -0.40 116.57 121.60 1qso h LYS 19 Ca 0.00 -0.34 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1qso h LYS 19 Cb 1.74 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 1qso h LYS 19 CO 0.38 1.01 0.08 1.49 -2.27 0.00 0.00 179.45 180.14 1qso h GLU 20 N 0.83 0.26 -0.46 1.90 4.81 -1.86 0.19 114.58 120.26 1qso h GLU 20 Ca 0.14 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1qso h GLU 20 Cb 0.62 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1qso h GLU 20 CO 0.04 0.32 -0.00 0.78 -0.73 0.00 0.00 179.01 179.41 1qso h GLY 21 N 0.14 0.87 0.84 1.92 0.00 -1.83 -0.74 103.07 104.28 1qso h GLY 21 Ca 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1qso h GLY 21 CO -0.01 0.59 0.01 -0.25 0.00 0.00 0.00 176.54 176.88 1qso h TRP 22 N 0.65 0.44 -0.61 5.60 7.01 -0.98 -2.82 115.95 125.25 1qso h TRP 22 Ca 0.13 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 1qso h TRP 22 Cb 0.50 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 1qso h TRP 22 CO 0.04 0.57 0.31 0.37 -2.79 0.00 0.00 178.44 176.94 1qso h GLN 23 N 0.18 0.85 0.34 2.65 4.15 -0.54 0.13 115.11 122.87 1qso h GLN 23 Ca 0.07 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1qso h GLN 23 Cb 0.39 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1qso h GLN 23 CO 0.01 0.64 -0.44 -0.09 -1.93 0.00 0.00 178.83 177.02 1qso h ARG 24 N 0.85 -0.80 -0.42 1.69 2.43 -0.94 0.17 114.38 117.36 1qso h ARG 24 Ca 0.21 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 1qso h ARG 24 Cb 0.06 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1qso h ARG 24 CO -0.03 -0.53 -0.02 -0.07 -1.51 0.00 0.00 179.97 177.80 1qso h LEU 25 N -0.83 0.65 -1.03 3.80 3.38 -1.24 -2.53 115.31 117.51 1qso h LEU 25 Ca -0.03 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1qso h LEU 25 Cb 0.76 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1qso h LEU 25 CO -0.12 0.74 0.65 -0.25 0.09 0.00 0.00 178.44 179.54 1qso h TRP 26 N 0.64 1.21 -0.01 1.13 2.91 -0.24 0.35 115.95 121.94 1qso h TRP 26 Ca 0.13 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.17 1qso h TRP 26 Cb 0.43 -0.40 -0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1qso h TRP 26 CO 0.02 0.70 -0.00 0.87 -1.03 0.00 0.00 178.44 178.99 1qso h LYS 27 N 1.25 0.02 -0.97 2.65 1.79 -0.61 -2.51 116.57 118.19 1qso h LYS 27 Ca 0.39 -0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.94 1qso h LYS 27 Cb 0.01 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.59 1qso h LYS 27 CO -0.12 0.45 0.61 0.77 -1.08 0.00 0.00 179.45 180.08 1qso h SER 28 N -0.41 0.94 -0.42 0.86 0.02 -1.05 -1.25 113.55 112.25 1qso h SER 28 Ca 0.00 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1qso h SER 28 Cb 0.44 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1qso h SER 28 CO 0.00 0.56 0.18 0.22 -1.14 0.00 0.00 176.83 176.65 1qso h TYR 29 N 1.05 0.33 -0.37 3.45 3.20 -0.27 -2.80 116.97 121.57 1qso h TYR 29 Ca 0.45 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.37 1qso h TYR 29 Cb 0.30 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 1qso h TYR 29 CO -0.01 0.15 0.14 1.96 -1.64 0.00 0.00 178.16 178.76 1qso h GLN 30 N 0.37 0.30 0.00 1.82 4.20 -0.76 -1.72 115.11 119.31 1qso h GLN 30 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1qso h GLN 30 Cb 0.13 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1qso h GLN 30 CO -0.16 0.20 0.00 0.38 -0.67 0.00 0.00 178.83 178.58 1qso h ASP 31 N 0.31 0.00 -0.10 1.46 3.04 -1.42 0.51 116.42 120.21 1qso h ASP 31 Ca 0.16 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.92 1qso h ASP 31 Cb 0.12 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1qso h ASP 31 CO -0.15 0.00 -0.08 0.15 -2.04 0.00 0.00 179.24 177.12 1qso h PHE 32 N 0.00 0.28 -0.03 4.15 3.57 -1.07 -2.61 116.94 121.23 1qso h PHE 32 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1qso h PHE 32 Cb 0.57 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1qso h PHE 32 CO 0.00 0.63 0.00 0.66 -2.23 0.00 0.00 178.31 177.37 1qso n TYR 33 N -4.68 0.05 -3.91 0.41 4.02 -0.84 -4.91 117.16 107.29 1qso n TYR 33 Ca -0.07 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.90 57.55 1qso n TYR 33 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.61 1qso n TYR 33 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1qso n GLU 34 N -0.47 -3.61 -4.17 -0.72 1.02 -0.16 -4.99 120.64 107.55 1qso n GLU 34 Ca 0.05 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1qso n GLU 34 Cb 0.05 -4.67 -0.10 0.00 -0.02 0.00 0.00 31.44 26.70 1qso n GLU 34 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qso s VAL 35 N -3.89 0.41 -0.35 2.62 -7.23 -0.01 -5.00 120.40 106.96 1qso s VAL 35 Ca 0.03 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 1qso s VAL 35 Cb -0.02 -1.92 0.15 0.00 0.56 0.00 0.00 36.38 35.16 1qso s VAL 35 CO 0.88 -0.63 0.39 -0.55 -0.31 0.00 0.00 175.10 174.87 1qso s SER 36 N -3.07 0.91 0.72 4.85 0.15 -1.26 -4.00 113.70 112.01 1qso s SER 36 Ca 0.19 -1.16 -0.11 0.00 0.70 0.00 0.00 55.95 55.57 1qso s SER 36 Cb 0.07 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 65.16 1qso s SER 36 CO -0.01 -0.29 1.07 -0.36 1.20 0.00 0.00 173.24 174.85 1qso s PHE 37 N 1.82 2.90 0.34 3.44 2.99 -1.26 -4.97 117.98 123.23 1qso s PHE 37 Ca 0.14 1.48 -0.29 0.00 0.00 0.00 0.00 56.93 58.26 1qso s PHE 37 Cb -0.14 -2.95 -0.12 0.00 0.00 0.00 0.00 43.02 39.82 1qso s PHE 37 CO -0.14 -1.45 1.49 -2.30 -0.00 0.00 0.00 175.22 172.83 1qso n PRO 38 N -3.24 2.58 0.15 0.24 -0.02 -1.26 -4.87 135.00 128.58 1qso n PRO 38 Ca 0.08 0.91 0.17 0.00 -2.02 0.00 0.00 63.50 62.64 1qso n PRO 38 Cb 0.53 -2.63 0.76 0.00 -0.02 0.00 0.00 33.50 32.14 1qso n PRO 38 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1qso h ASP 39 N 3.58 0.00 -0.26 2.55 3.58 -2.05 -1.51 116.42 122.31 1qso h ASP 39 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1qso h ASP 39 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1qso h ASP 39 CO 0.70 0.00 0.00 -0.90 -2.88 0.00 0.00 179.24 176.16 1qso n ASP 40 N -4.06 1.78 -0.02 2.28 5.75 -1.26 -3.63 116.55 117.39 1qso n ASP 40 Ca 0.03 -2.08 -0.16 0.00 -0.01 0.00 0.00 54.79 52.58 1qso n ASP 40 Cb 0.38 -0.28 -0.14 0.00 -1.03 0.00 0.00 41.12 40.06 1qso n ASP 40 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1qso n LEU 41 N 0.29 1.84 -0.32 -2.12 7.94 -0.57 -3.88 117.00 120.18 1qso n LEU 41 Ca 0.09 0.26 0.13 0.00 -1.11 0.00 0.00 56.01 55.38 1qso n LEU 41 Cb 0.32 -0.53 0.31 0.00 0.53 0.00 0.00 43.42 44.05 1qso n LEU 41 CO 0.08 0.66 1.12 0.44 -1.11 0.00 0.00 177.39 178.58 1qso h ASP 42 N 0.04 0.56 -0.21 1.96 3.32 -1.72 -0.40 116.42 119.98 1qso h ASP 42 Ca -0.38 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 1qso h ASP 42 Cb 2.03 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.61 1qso h ASP 42 CO 0.07 0.14 -0.06 0.44 -1.72 0.00 0.00 179.24 178.12 1qso h ASP 43 N 0.58 0.41 -0.22 6.45 3.32 -1.78 -1.75 116.42 123.43 1qso h ASP 43 Ca 0.56 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1qso h ASP 43 Cb 0.96 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1qso h ASP 43 CO -0.44 0.69 -0.06 0.15 -1.72 0.00 0.00 179.24 177.86 1qso h PHE 44 N 0.13 -0.12 0.50 4.55 -0.00 -1.28 0.73 116.94 121.44 1qso h PHE 44 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.03 1qso h PHE 44 Cb 0.51 0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.53 1qso h PHE 44 CO 0.05 -0.10 -0.45 -0.91 -0.00 0.00 0.00 178.31 176.90 1qso h ASN 45 N -0.00 -1.23 -1.00 0.41 2.35 -1.10 -0.26 115.58 114.75 1qso h ASN 45 Ca 0.11 0.09 0.18 0.00 -0.55 0.00 0.00 56.30 56.13 1qso h ASN 45 Cb 0.16 0.40 -0.10 0.00 0.05 0.00 0.00 38.32 38.83 1qso h ASN 45 CO -0.23 -0.62 0.62 0.15 -1.65 0.00 0.00 177.43 175.70 1qso h PHE 46 N -0.94 1.02 -0.25 1.19 3.57 -1.10 0.33 116.94 120.77 1qso h PHE 46 Ca -0.06 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1qso h PHE 46 Cb 0.80 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1qso h PHE 46 CO -0.21 0.26 0.05 0.78 -2.23 0.00 0.00 178.31 176.96 1qso h GLY 47 N 0.76 0.28 1.25 2.40 0.00 0.13 -1.04 103.07 106.85 1qso h GLY 47 Ca 0.56 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.79 1qso h GLY 47 CO -0.34 -0.00 0.04 3.21 0.00 0.00 0.00 176.54 179.45 1qso h ARG 48 N 0.15 0.92 0.02 4.80 3.08 0.98 -1.57 114.38 122.76 1qso h ARG 48 Ca 0.11 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.95 1qso h ARG 48 Cb 0.11 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1qso h ARG 48 CO -0.15 0.88 -0.33 0.74 -1.07 0.00 0.00 179.97 180.05 1qso h PHE 49 N 0.86 -0.91 0.00 3.04 0.04 0.55 -2.74 116.94 117.78 1qso h PHE 49 Ca 0.17 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 1qso h PHE 49 Cb 0.45 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1qso h PHE 49 CO 0.03 -0.42 -0.37 -0.07 -0.60 0.00 0.00 178.31 176.88 1qso h LEU 50 N -0.50 0.00 -9.08 1.54 3.38 -1.12 -3.43 115.31 106.09 1qso h LEU 50 Ca 0.05 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.46 1qso h LEU 50 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1qso h LEU 50 CO -0.25 0.37 1.10 -0.62 0.09 0.00 0.00 178.44 179.12 1qso s ASP 51 N -6.45 6.49 0.57 -0.43 3.68 -0.60 -4.85 116.67 115.07 1qso s ASP 51 Ca -0.00 1.72 0.34 0.00 2.13 0.00 0.00 52.55 56.74 1qso s ASP 51 Cb 0.11 -2.53 1.74 0.00 -1.45 0.00 0.00 42.92 40.79 1qso s ASP 51 CO 0.68 -1.15 2.16 -0.65 0.13 0.00 0.00 175.17 176.34 1qso h PRO 52 N 10.26 0.00 -0.00 4.34 0.11 -1.84 -2.29 132.00 142.58 1qso h PRO 52 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1qso h PRO 52 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qso h PRO 52 CO 0.99 0.05 -0.48 0.09 -0.21 0.00 0.00 178.00 178.44 1qso n ASN 53 N -3.40 0.73 -4.38 -2.05 5.03 -1.26 -4.65 115.26 105.28 1qso n ASN 53 Ca -0.02 -0.53 -0.43 0.00 0.87 0.00 0.00 54.58 54.48 1qso n ASN 53 Cb 0.19 0.30 -0.09 0.00 -1.02 0.00 0.00 39.78 39.16 1qso n ASN 53 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qso s ILE 54 N -2.85 4.92 -0.27 2.41 -1.09 -0.86 -4.97 121.20 118.49 1qso s ILE 54 Ca 0.14 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.53 1qso s ILE 54 Cb 0.18 -3.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1qso s ILE 54 CO 0.66 -0.45 1.54 0.29 -1.23 0.00 0.00 174.94 175.75 1qso n LYS 55 N 5.10 0.89 -4.13 2.79 5.02 -1.26 -4.71 118.16 121.86 1qso n LYS 55 Ca -0.12 -0.69 -0.20 0.00 -2.02 0.00 0.00 58.31 55.28 1qso n LYS 55 Cb 0.45 -1.97 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 1qso n LYS 55 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1qso s MET 56 N 3.33 0.79 0.34 1.97 1.75 -1.26 -1.53 119.30 124.69 1qso s MET 56 Ca 0.21 -0.09 0.06 0.00 -1.25 0.00 0.00 55.69 54.62 1qso s MET 56 Cb 0.07 -0.83 -0.07 0.00 2.84 0.00 0.00 34.83 36.85 1qso s MET 56 CO -0.01 -0.09 0.00 -1.58 -0.65 0.00 0.00 175.02 172.69 1qso s TRP 57 N 0.96 2.15 -0.22 4.11 0.51 -0.02 -3.87 118.94 122.56 1qso s TRP 57 Ca -0.10 -0.77 -0.04 0.00 -2.12 0.00 0.00 56.10 53.06 1qso s TRP 57 Cb -0.14 -1.38 0.12 0.00 -0.81 0.00 0.00 33.47 31.26 1qso s TRP 57 CO -0.00 0.25 0.38 0.00 -0.51 0.00 0.00 176.95 177.06 1qso s ALA 58 N -3.01 -1.05 0.11 0.98 0.00 -1.26 -2.26 121.76 115.28 1qso s ALA 58 Ca 0.34 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.38 1qso s ALA 58 Cb 0.07 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1qso s ALA 58 CO 0.15 -1.09 0.10 0.00 0.00 0.00 0.00 175.76 174.92 1qso s ALA 59 N 2.55 3.56 0.14 0.00 0.00 -0.61 -0.58 121.76 126.82 1qso s ALA 59 Ca 0.08 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.04 1qso s ALA 59 Cb -0.14 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1qso s ALA 59 CO -0.14 0.66 -0.20 0.14 0.00 0.00 0.00 175.76 176.22 1qso s VAL 60 N -1.52 1.81 -0.36 0.00 -7.23 0.54 -1.60 120.40 112.04 1qso s VAL 60 Ca 0.30 -1.75 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 1qso s VAL 60 Cb -0.11 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.13 1qso s VAL 60 CO 0.22 -0.18 0.16 0.00 -0.31 0.00 0.00 175.10 174.99 1qso s ALA 61 N -1.62 3.17 -0.17 1.32 0.00 -0.80 -1.46 121.76 122.20 1qso s ALA 61 Ca 0.12 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 1qso s ALA 61 Cb -0.08 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 1qso s ALA 61 CO 0.06 -1.38 0.28 0.08 0.00 0.00 0.00 175.76 174.80 1qso s VAL 62 N 1.48 5.30 -0.42 0.00 1.01 0.24 -0.71 120.40 127.30 1qso s VAL 62 Ca 0.00 0.52 -0.29 0.00 0.00 0.00 0.00 61.98 62.21 1qso s VAL 62 Cb -0.20 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1qso s VAL 62 CO 0.05 0.37 1.38 -0.70 0.00 0.00 0.00 175.10 176.19 1qso s GLU 63 N 0.62 3.59 0.14 2.72 2.12 -0.65 -1.13 118.70 126.11 1qso s GLU 63 Ca 0.16 0.88 -0.27 0.00 0.36 0.00 0.00 54.97 56.09 1qso s GLU 63 Cb -0.13 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.19 1qso s GLU 63 CO 0.04 -1.55 1.48 0.43 -0.54 0.00 0.00 175.26 175.11 1qso n SER 64 N 8.71 -0.94 -0.09 -1.70 7.64 -1.10 -2.69 113.62 123.44 1qso n SER 64 Ca 0.16 1.69 -0.02 0.00 1.01 0.00 0.00 58.87 61.70 1qso n SER 64 Cb 0.48 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1qso n SER 64 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qso n SER 65 N -5.00 -0.24 0.00 6.43 2.88 -1.26 -4.53 113.62 111.90 1qso n SER 65 Ca 0.02 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1qso n SER 65 Cb 0.23 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1qso n SER 65 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1qso n SER 66 N -3.40 0.00 0.00 -3.46 3.41 -1.10 -5.03 113.62 104.04 1qso n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1qso n SER 66 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1qso n SER 66 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1qso n GLU 67 N 0.00 0.41 -1.67 4.33 0.28 -1.25 -4.88 120.64 117.86 1qso n GLU 67 Ca 0.00 -0.01 -0.45 0.00 -0.16 0.00 0.00 57.16 56.54 1qso n GLU 67 Cb 0.00 -0.15 -0.04 0.00 1.43 0.00 0.00 31.44 32.68 1qso n GLU 67 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1qso n LYS 68 N -0.06 2.17 -3.05 3.44 4.81 -1.26 -4.71 118.16 119.50 1qso n LYS 68 Ca 0.00 0.78 -0.40 0.00 -0.87 0.00 0.00 58.31 57.81 1qso n LYS 68 Cb 0.05 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 32.53 1qso n LYS 68 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1qso s ILE 69 N 0.61 4.99 -0.09 3.15 1.01 -1.26 -1.63 121.20 127.97 1qso s ILE 69 Ca 0.75 1.34 0.04 0.00 0.00 0.00 0.00 60.65 62.78 1qso s ILE 69 Cb -0.66 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 37.75 1qso s ILE 69 CO 0.41 0.11 0.13 2.30 0.00 0.00 0.00 174.94 177.89 1qso n ILE 70 N 4.56 0.00 -4.32 2.92 -5.35 0.11 -4.97 119.36 112.32 1qso n ILE 70 Ca 0.00 -0.23 -0.19 0.00 -0.27 0.00 0.00 62.75 62.06 1qso n ILE 70 Cb 0.50 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 1qso n ILE 70 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qso s GLY 71 N -1.98 1.35 -0.19 3.28 0.00 -1.02 0.08 107.32 108.85 1qso s GLY 71 Ca -0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 43.06 1qso s GLY 71 CO 0.17 -1.66 0.43 -0.29 0.00 0.00 0.00 173.10 171.75 1qso s MET 72 N -3.40 0.38 -0.06 2.90 1.75 0.79 -1.91 119.30 119.74 1qso s MET 72 Ca 0.19 0.91 -0.00 0.00 -1.25 0.00 0.00 55.69 55.54 1qso s MET 72 Cb -0.02 0.13 0.03 0.00 2.84 0.00 0.00 34.83 37.81 1qso s MET 72 CO 0.06 -0.20 -0.02 -1.50 -0.65 0.00 0.00 175.02 172.71 1qso s ILE 73 N 1.91 0.50 -0.15 10.11 2.07 -0.63 -0.39 121.20 134.63 1qso s ILE 73 Ca -0.06 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.15 1qso s ILE 73 Cb -0.10 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 1qso s ILE 73 CO -0.13 0.26 -0.11 0.20 -1.91 0.00 0.00 174.94 173.24 1qso s ASN 74 N 1.53 4.11 0.10 4.50 0.02 0.55 -1.57 114.94 124.19 1qso s ASN 74 Ca -0.01 -0.32 -0.04 0.00 -1.02 0.00 0.00 52.86 51.46 1qso s ASN 74 Cb -0.13 -1.64 -0.02 0.00 0.02 0.00 0.00 41.25 39.47 1qso s ASN 74 CO -0.03 0.14 0.10 0.72 0.02 0.00 0.00 177.10 178.05 1qso s PHE 75 N 0.52 0.50 0.24 2.20 -0.71 -0.96 0.29 117.98 120.07 1qso s PHE 75 Ca -0.08 -0.94 -0.13 0.00 -1.04 0.00 0.00 56.93 54.74 1qso s PHE 75 Cb -0.15 -0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1qso s PHE 75 CO 0.04 -0.52 0.49 -0.59 -1.34 0.00 0.00 175.22 173.29 1qso s PHE 76 N -3.95 0.31 -0.06 3.49 -0.12 -0.46 -0.84 117.98 116.36 1qso s PHE 76 Ca 0.13 -0.68 -0.03 0.00 -0.05 0.00 0.00 56.93 56.30 1qso s PHE 76 Cb 0.06 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1qso s PHE 76 CO -0.05 -0.99 0.11 1.21 -0.05 0.00 0.00 175.22 175.44 1qso s ASN 77 N -3.00 5.98 -0.00 1.98 3.84 -0.58 -1.27 114.94 121.88 1qso s ASN 77 Ca 0.21 0.29 -0.24 0.00 0.21 0.00 0.00 52.86 53.33 1qso s ASN 77 Cb -0.01 -1.83 0.05 0.00 -0.55 0.00 0.00 41.25 38.92 1qso s ASN 77 CO 0.08 0.33 0.55 -1.38 -2.79 0.00 0.00 177.10 173.89 1qso s HIS 78 N -1.12 -0.48 1.14 0.43 -3.43 -0.18 -4.97 115.29 106.68 1qso s HIS 78 Ca 0.20 0.70 -0.13 0.00 -0.80 0.00 0.00 55.06 55.03 1qso s HIS 78 Cb -0.12 0.33 0.27 0.00 -1.43 0.00 0.00 32.58 31.62 1qso s HIS 78 CO 0.10 -0.58 1.04 -1.64 -2.00 0.00 0.00 174.74 171.66 1qso s MET 79 N -1.72 -0.71 0.09 -0.38 1.00 -1.26 -0.56 119.30 115.76 1qso s MET 79 Ca -0.09 0.73 -0.05 0.00 0.00 0.00 0.00 55.69 56.27 1qso s MET 79 Cb -0.01 -1.59 -0.02 0.00 0.00 0.00 0.00 34.83 33.21 1qso s MET 79 CO 0.04 -3.55 0.11 0.99 0.00 0.00 0.00 175.02 172.60 1qso s THR 80 N -2.58 0.16 -0.42 2.05 2.01 -1.26 -4.65 115.64 110.95 1qso s THR 80 Ca 0.68 -1.51 0.08 0.00 0.31 0.00 0.00 61.69 61.25 1qso s THR 80 Cb -0.23 -1.53 0.21 0.00 0.01 0.00 0.00 72.50 70.95 1qso s THR 80 CO 0.63 -0.72 1.16 0.41 -0.69 0.00 0.00 174.62 175.41 1qso n THR 81 N -0.02 1.22 -0.27 -0.82 -1.04 -1.26 -4.40 114.28 107.68 1qso n THR 81 Ca -0.13 -1.21 0.02 0.00 -2.04 0.00 0.00 64.05 60.69 1qso n THR 81 Cb 0.62 0.35 0.03 0.00 -1.82 0.00 0.00 70.33 69.51 1qso n THR 81 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1qso n TRP 82 N -0.17 0.00 -3.76 -1.42 7.02 -1.26 -5.07 117.44 112.78 1qso n TRP 82 Ca 0.09 -0.59 -0.02 0.00 -1.02 0.00 0.00 57.50 55.96 1qso n TRP 82 Cb 0.43 -0.07 0.01 0.00 -2.42 0.00 0.00 31.31 29.26 1qso n TRP 82 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1qso n ASP 83 N -0.68 -1.09 -0.12 -0.99 2.03 -1.26 -5.06 116.55 109.39 1qso n ASP 83 Ca 0.03 -1.54 -0.22 0.00 0.52 0.00 0.00 54.79 53.58 1qso n ASP 83 Cb 0.34 1.76 -0.09 0.00 -0.72 0.00 0.00 41.12 42.41 1qso n ASP 83 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1qso n PHE 84 N -0.48 0.00 -2.57 -0.67 3.01 -1.26 -4.78 117.46 110.71 1qso n PHE 84 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 1qso n PHE 84 Cb 0.38 -0.86 -0.04 0.00 -0.01 0.00 0.00 39.48 38.95 1qso n PHE 84 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1qso s LYS 85 N -2.44 4.58 1.11 -1.08 -0.14 -1.26 -4.95 119.74 115.56 1qso s LYS 85 Ca -0.32 1.63 -0.13 0.00 -1.36 0.00 0.00 55.97 55.78 1qso s LYS 85 Cb 0.11 -3.34 0.25 0.00 -1.68 0.00 0.00 37.83 33.17 1qso s LYS 85 CO 0.45 0.03 1.06 -0.51 -0.76 0.00 0.00 175.35 175.62 1qso s ASP 86 N 0.28 1.59 0.19 2.83 1.01 -1.26 -4.77 116.67 116.54 1qso s ASP 86 Ca 0.51 1.25 0.10 0.00 0.71 0.00 0.00 52.55 55.13 1qso s ASP 86 Cb -0.27 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1qso s ASP 86 CO 0.32 -3.78 -0.21 -1.59 0.21 0.00 0.00 175.17 170.11 1qso s LYS 87 N -4.77 1.44 -0.19 8.23 -2.85 0.28 -4.64 119.74 117.24 1qso s LYS 87 Ca 0.67 -1.51 -0.06 0.00 -1.00 0.00 0.00 55.97 54.07 1qso s LYS 87 Cb -0.21 -1.63 -0.03 0.00 -2.06 0.00 0.00 37.83 33.89 1qso s LYS 87 CO 0.61 0.34 0.03 0.42 0.10 0.00 0.00 175.35 176.85 1qso s ILE 88 N -1.92 4.36 -0.19 3.79 1.01 0.11 -1.02 121.20 127.34 1qso s ILE 88 Ca 0.20 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 1qso s ILE 88 Cb -0.07 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1qso s ILE 88 CO 0.09 0.44 0.07 -0.47 0.00 0.00 0.00 174.94 175.07 1qso s TYR 89 N 0.70 3.25 -0.48 3.97 5.04 -0.40 -2.02 117.35 127.42 1qso s TYR 89 Ca 0.02 0.06 -0.20 0.00 -2.44 0.00 0.00 57.07 54.51 1qso s TYR 89 Cb -0.14 -2.11 0.04 0.00 0.35 0.00 0.00 41.96 40.10 1qso s TYR 89 CO 0.02 0.12 0.67 0.42 -1.34 0.00 0.00 175.55 175.44 1qso s ILE 90 N 0.51 4.80 0.00 3.14 1.01 -0.46 -1.35 121.20 128.85 1qso s ILE 90 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 1qso s ILE 90 Cb -0.13 -4.28 -0.29 0.00 0.01 0.00 0.00 42.46 37.77 1qso s ILE 90 CO 0.01 -0.73 0.86 -1.13 0.00 0.00 0.00 174.94 173.94 1qso h ASN 91 N 8.97 0.50 -3.62 3.58 -0.73 -0.49 -3.42 115.58 120.37 1qso h ASN 91 Ca -0.26 -0.66 -0.30 0.00 1.87 0.00 0.00 56.30 56.94 1qso h ASN 91 Cb 1.09 -0.16 -0.32 0.00 0.27 0.00 0.00 38.32 39.20 1qso h ASN 91 CO 0.94 1.55 -0.74 -1.81 -0.37 0.00 0.00 177.43 177.00 1qso s ASP 92 N -7.13 0.26 -0.09 1.15 1.11 -0.95 -4.97 116.67 106.04 1qso s ASP 92 Ca -0.10 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.60 1qso s ASP 92 Cb 0.06 -0.11 0.03 0.00 1.07 0.00 0.00 42.92 43.97 1qso s ASP 92 CO 0.87 -0.06 -0.02 -0.22 1.18 0.00 0.00 175.17 176.92 1qso s LEU 93 N 0.61 0.81 -0.09 1.23 0.20 -1.26 -0.33 118.68 119.85 1qso s LEU 93 Ca -0.06 -0.20 -0.06 0.00 0.69 0.00 0.00 54.13 54.51 1qso s LEU 93 Cb -0.08 -0.57 0.04 0.00 -0.43 0.00 0.00 46.19 45.14 1qso s LEU 93 CO -0.01 -0.18 0.22 -0.47 -0.29 0.00 0.00 176.35 175.62 1qso s TYR 94 N 1.88 -0.27 -0.06 5.38 5.04 0.48 -5.02 117.35 124.79 1qso s TYR 94 Ca 0.05 0.66 0.03 0.00 -2.44 0.00 0.00 57.07 55.36 1qso s TYR 94 Cb -0.13 0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.23 1qso s TYR 94 CO -0.06 -0.18 -0.14 0.08 -1.34 0.00 0.00 175.55 173.91 1qso s VAL 95 N 0.82 1.25 0.03 3.14 1.01 -1.26 -0.15 120.40 125.24 1qso s VAL 95 Ca -0.06 -0.57 -0.38 0.00 0.00 0.00 0.00 61.98 60.97 1qso s VAL 95 Cb -0.07 -1.11 -0.17 0.00 0.00 0.00 0.00 36.38 35.02 1qso s VAL 95 CO -0.05 0.38 1.33 -0.67 0.00 0.00 0.00 175.10 176.08 1qso n ASP 96 N 3.59 1.39 -0.11 3.32 2.03 0.11 -4.72 116.55 122.15 1qso n ASP 96 Ca -0.21 1.12 -0.10 0.00 0.52 0.00 0.00 54.79 56.12 1qso n ASP 96 Cb 0.52 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 39.75 1qso n ASP 96 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1qso h GLU 97 N 4.49 -0.33 -0.48 -0.67 3.07 -1.99 0.49 114.58 119.17 1qso h GLU 97 Ca -0.48 0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.33 1qso h GLU 97 Cb 1.35 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.32 1qso h GLU 97 CO 0.77 -0.22 -0.00 -0.91 -1.40 0.00 0.00 179.01 177.25 1qso h ASN 98 N -0.34 0.76 -0.88 1.42 4.21 -2.00 -2.91 115.58 115.83 1qso h ASN 98 Ca 0.13 -0.18 -0.44 0.00 1.21 0.00 0.00 56.30 57.02 1qso h ASN 98 Cb 0.59 -0.20 -0.26 0.00 -1.12 0.00 0.00 38.32 37.32 1qso h ASN 98 CO -0.55 0.83 0.51 -0.24 -1.29 0.00 0.00 177.43 176.69 1qso n SER 99 N -4.21 3.71 0.10 5.81 2.88 -0.70 -4.35 113.62 116.85 1qso n SER 99 Ca 0.02 -3.59 -0.00 0.00 -1.33 0.00 0.00 58.87 53.98 1qso n SER 99 Cb 0.30 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1qso n SER 99 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1qso h ARG 100 N 1.20 0.00 -0.97 -1.46 2.43 0.16 -3.39 114.38 112.36 1qso h ARG 100 Ca 0.54 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.86 1qso h ARG 100 Cb 2.65 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 32.04 1qso h ARG 100 CO 0.97 0.58 -0.36 1.55 -1.51 0.00 0.00 179.97 181.20 1qso n VAL 101 N -3.20 -0.50 0.00 0.20 3.14 -1.26 -4.25 118.33 112.46 1qso n VAL 101 Ca -0.01 2.26 0.00 0.00 -2.96 0.00 0.00 64.34 63.64 1qso n VAL 101 Cb 0.80 -3.01 0.00 0.00 -1.06 0.00 0.00 33.84 30.58 1qso n VAL 101 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1qso n LYS 102 N -5.45 0.00 -1.11 1.45 0.00 -1.26 -4.97 118.16 106.82 1qso n LYS 102 Ca 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.37 1qso n LYS 102 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.41 1qso n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qso n GLY 103 N 0.00 0.35 0.32 2.58 0.00 -1.26 -5.03 105.19 102.15 1qso n GLY 103 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1qso n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qso h ALA 104 N 0.12 -0.51 -0.63 4.61 0.00 -1.88 -2.48 119.26 118.50 1qso h ALA 104 Ca -0.38 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.63 1qso h ALA 104 Cb 1.14 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1qso h ALA 104 CO -0.19 -0.84 0.43 0.78 0.00 0.00 0.00 179.25 179.44 1qso h GLY 105 N -0.52 0.35 1.14 0.00 0.00 -1.93 -1.08 103.07 101.03 1qso h GLY 105 Ca 0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1qso h GLY 105 CO -0.16 0.04 -0.14 -1.33 0.00 0.00 0.00 176.54 174.95 1qso h GLY 106 N 0.22 1.08 0.93 4.60 0.00 -1.87 -2.92 103.07 105.11 1qso h GLY 106 Ca 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1qso h GLY 106 CO -0.06 0.81 -0.34 0.58 0.00 0.00 0.00 176.54 177.53 1qso n LYS 107 N -4.13 0.27 0.14 4.80 2.85 -0.52 -2.84 118.16 118.72 1qso n LYS 107 Ca 0.01 -0.14 -0.23 0.00 -1.05 0.00 0.00 58.31 56.91 1qso n LYS 107 Cb 0.42 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.15 1qso n LYS 107 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1qso h LEU 108 N 0.34 0.76 -0.59 -5.58 3.38 -1.17 -1.53 115.31 110.91 1qso h LEU 108 Ca 0.00 -0.80 -0.14 0.00 0.09 0.00 0.00 57.88 57.03 1qso h LEU 108 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1qso h LEU 108 CO 0.00 1.62 -0.44 0.40 0.09 0.00 0.00 178.44 180.11 1qso h ILE 109 N 0.14 1.30 -0.57 1.22 2.04 -1.56 -2.27 117.51 117.81 1qso h ILE 109 Ca -0.22 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 63.92 1qso h ILE 109 Cb 2.11 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.77 1qso h ILE 109 CO 0.26 0.52 0.04 -0.61 0.00 0.00 0.00 178.15 178.35 1qso h GLN 110 N 0.49 0.98 -0.57 2.37 5.75 -1.53 -0.02 115.11 122.58 1qso h GLN 110 Ca 0.03 -0.29 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1qso h GLN 110 Cb 0.97 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 1qso h GLN 110 CO 0.09 0.96 0.31 0.35 -2.65 0.00 0.00 178.83 177.89 1qso h PHE 111 N 0.87 0.58 -0.17 3.99 3.57 -1.04 0.23 116.94 124.97 1qso h PHE 111 Ca 0.17 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1qso h PHE 111 Cb 0.49 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1qso h PHE 111 CO 0.04 0.30 -0.24 0.28 -2.23 0.00 0.00 178.31 176.45 1qso h VAL 112 N 0.60 1.24 -0.30 1.41 2.07 -1.08 -0.61 116.25 119.59 1qso h VAL 112 Ca 0.24 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1qso h VAL 112 Cb 0.11 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1qso h VAL 112 CO -0.14 0.35 0.10 1.88 0.02 0.00 0.00 177.57 179.78 1qso h TYR 113 N 0.27 0.47 -0.17 1.57 0.05 0.57 -1.47 116.97 118.25 1qso h TYR 113 Ca 0.04 -0.04 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1qso h TYR 113 Cb 0.58 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 1qso h TYR 113 CO 0.01 0.48 -0.12 -0.44 -1.05 0.00 0.00 178.16 177.04 1qso h ASP 114 N 0.32 0.41 0.07 3.88 3.32 -0.76 -2.62 116.42 121.04 1qso h ASP 114 Ca 0.10 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.67 1qso h ASP 114 Cb 0.23 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1qso h ASP 114 CO -0.00 0.76 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.85 1qso h GLU 115 N 0.05 0.07 -0.57 3.56 4.39 -1.11 0.05 114.58 121.02 1qso h GLU 115 Ca 0.03 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1qso h GLU 115 Cb 0.63 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1qso h GLU 115 CO 0.03 0.18 -0.06 0.00 -1.16 0.00 0.00 179.01 178.00 1qso h ALA 116 N 1.83 0.78 0.14 3.43 0.00 -1.14 -2.44 119.26 121.85 1qso h ALA 116 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1qso h ALA 116 Cb 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1qso h ALA 116 CO 0.01 0.67 -0.07 -0.44 0.00 0.00 0.00 179.25 179.42 1qso h ASP 117 N 0.94 -0.16 0.07 0.00 3.32 -0.81 -1.76 116.42 118.02 1qso h ASP 117 Ca 0.15 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1qso h ASP 117 Cb 0.63 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1qso h ASP 117 CO 0.04 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.89 1qso n LYS 118 N -5.10 0.07 -0.00 3.56 5.02 -0.13 -1.11 118.16 120.47 1qso n LYS 118 Ca -0.09 0.22 0.05 0.00 -2.02 0.00 0.00 58.31 56.47 1qso n LYS 118 Cb 0.16 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1qso n LYS 118 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1qso n LEU 119 N -1.25 0.29 0.00 -0.35 4.77 -0.86 -5.01 117.00 114.60 1qso n LEU 119 Ca 0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1qso n LEU 119 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1qso n LEU 119 CO 0.03 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1qso n GLY 120 N 1.51 0.80 2.57 -0.72 0.00 -0.27 -4.95 105.19 104.14 1qso n GLY 120 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1qso n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qso n THR 121 N -2.10 1.63 0.49 2.61 -2.24 -0.89 -4.86 114.28 108.92 1qso n THR 121 Ca 0.00 -4.89 0.09 0.00 -2.27 0.00 0.00 64.05 56.98 1qso n THR 121 Cb 0.00 -2.09 0.38 0.00 -2.10 0.00 0.00 70.33 66.52 1qso n THR 121 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1qso n PRO 122 N 1.40 0.07 -2.23 -0.78 -0.04 -1.23 -4.48 135.00 127.71 1qso n PRO 122 Ca 0.26 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.66 1qso n PRO 122 Cb 0.40 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.20 1qso n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qso s SER 123 N -3.42 5.63 0.00 3.54 0.15 -1.26 -4.88 113.70 113.46 1qso s SER 123 Ca 0.06 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 1qso s SER 123 Cb 0.10 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1qso s SER 123 CO 0.32 -2.25 0.09 -0.69 1.20 0.00 0.00 173.24 171.92 1qso s VAL 124 N 8.06 4.78 -0.05 4.45 1.01 -1.26 -0.71 120.40 136.67 1qso s VAL 124 Ca 0.59 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 1qso s VAL 124 Cb -0.07 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.21 1qso s VAL 124 CO 0.05 0.33 0.83 -0.72 0.00 0.00 0.00 175.10 175.58 1qso s TYR 125 N -1.22 -0.47 0.11 5.22 -0.85 -0.85 -4.98 117.35 114.30 1qso s TYR 125 Ca 0.24 0.64 -0.00 0.00 -0.52 0.00 0.00 57.07 57.43 1qso s TYR 125 Cb -0.12 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1qso s TYR 125 CO 0.15 -0.53 0.14 -2.67 -1.52 0.00 0.00 175.55 171.12 1qso n TRP 126 N 0.41 -0.66 -3.74 -3.49 2.14 -1.26 -1.35 117.44 109.48 1qso n TRP 126 Ca -0.13 -0.78 -0.10 0.00 2.07 0.00 0.00 57.50 58.56 1qso n TRP 126 Cb 0.59 0.16 -0.06 0.00 -0.81 0.00 0.00 31.31 31.20 1qso n TRP 126 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1qso s THR 128 N -3.84 0.00 0.53 0.00 -1.32 -1.26 -5.09 115.64 104.66 1qso s THR 128 Ca 0.05 -1.62 -0.18 0.00 -1.21 0.00 0.00 61.69 58.73 1qso s THR 128 Cb 0.03 -2.46 -0.07 0.00 -1.51 0.00 0.00 72.50 68.49 1qso s THR 128 CO -0.10 0.00 1.04 -1.81 -2.21 0.00 0.00 174.62 171.54 1qso s ASP 129 N -3.15 6.14 0.27 8.08 1.01 -1.26 -4.95 116.67 122.81 1qso s ASP 129 Ca 0.30 1.87 -0.04 0.00 0.71 0.00 0.00 52.55 55.39 1qso s ASP 129 Cb 0.01 -2.55 0.36 0.00 1.01 0.00 0.00 42.92 41.76 1qso s ASP 129 CO 0.15 -0.92 1.93 -0.33 0.21 0.00 0.00 175.17 176.21 1qso h GLU 130 N 1.09 1.20 0.00 8.23 5.08 -2.06 -2.76 114.58 125.36 1qso h GLU 130 Ca -0.48 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1qso h GLU 130 Cb 1.22 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1qso h GLU 130 CO 0.59 0.79 0.00 0.66 -1.00 0.00 0.00 179.01 180.05 1qso h SER 131 N 1.23 0.00 -0.79 1.42 4.64 -2.08 -3.41 113.55 114.57 1qso h SER 131 Ca 0.36 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.07 1qso h SER 131 Cb -0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.96 1qso h SER 131 CO -0.10 0.00 1.97 0.21 -0.87 0.00 0.00 176.83 178.04 1qso s ASN 132 N -4.73 6.48 0.16 4.97 3.84 -1.04 -4.74 114.94 119.87 1qso s ASN 132 Ca 0.06 -2.27 0.00 0.00 0.21 0.00 0.00 52.86 50.87 1qso s ASN 132 Cb 0.10 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 1qso s ASN 132 CO 0.51 -1.55 1.37 0.45 -2.79 0.00 0.00 177.10 175.09 1qso h HIS 133 N 8.05 0.41 -0.28 0.43 3.86 -1.87 -2.82 115.15 122.94 1qso h HIS 133 Ca 0.40 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1qso h HIS 133 Cb 0.89 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.30 1qso h HIS 133 CO 1.38 1.02 0.17 -0.09 0.86 0.00 0.00 177.93 181.28 1qso h ARG 134 N 0.16 0.37 -0.42 2.45 2.43 -1.99 -1.95 114.38 115.43 1qso h ARG 134 Ca -0.05 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1qso h ARG 134 Cb 1.49 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.95 1qso h ARG 134 CO 0.14 0.29 -0.00 0.00 -1.51 0.00 0.00 179.97 178.88 1qso h ALA 135 N 1.07 0.57 0.00 2.80 0.00 -1.97 -2.66 119.26 119.07 1qso h ALA 135 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qso h ALA 135 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qso h ALA 135 CO -0.02 0.36 0.00 1.04 0.00 0.00 0.00 179.25 180.63 1qso n GLN 136 N -4.41 0.01 0.15 0.00 6.02 -1.07 -0.72 117.38 117.37 1qso n GLN 136 Ca -0.00 0.37 0.01 0.00 -0.01 0.00 0.00 57.00 57.36 1qso n GLN 136 Cb 0.30 -1.53 0.22 0.00 1.02 0.00 0.00 30.24 30.25 1qso n GLN 136 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1qso h LEU 137 N 0.00 0.00 0.00 1.08 3.38 -0.98 -2.73 115.31 116.06 1qso h LEU 137 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1qso h LEU 137 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1qso h LEU 137 CO 0.00 0.54 -1.11 -0.11 0.09 0.00 0.00 178.44 177.85 1qso n LEU 138 N -3.76 1.85 -0.15 1.67 7.94 0.10 -4.25 117.00 120.40 1qso n LEU 138 Ca -0.01 0.47 0.23 0.00 -1.11 0.00 0.00 56.01 55.59 1qso n LEU 138 Cb 0.57 -0.94 0.65 0.00 0.53 0.00 0.00 43.42 44.23 1qso n LEU 138 CO 0.41 0.10 1.23 1.88 -1.11 0.00 0.00 177.39 179.90 1qso h TYR 139 N -1.00 0.17 0.00 1.96 0.99 -1.35 0.29 116.97 118.02 1qso h TYR 139 Ca -0.28 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.46 1qso h TYR 139 Cb 1.12 -0.05 -0.00 0.00 1.00 0.00 0.00 36.73 38.80 1qso h TYR 139 CO 0.02 0.05 -0.00 -0.24 -0.00 0.00 0.00 178.16 177.99 1qso h VAL 140 N 0.13 0.00 0.00 -2.88 3.04 -1.67 -0.40 116.25 114.47 1qso h VAL 140 Ca 0.39 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 1qso h VAL 140 Cb 1.35 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1qso h VAL 140 CO -0.06 0.00 -0.06 0.11 -1.01 0.00 0.00 177.57 176.56 1qso h LYS 141 N 0.00 0.00 0.00 4.17 1.57 -0.62 -3.39 116.57 118.31 1qso h LYS 141 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qso h LYS 141 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1qso h LYS 141 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.21 1qso n VAL 142 N -2.82 0.62 -1.57 0.50 0.24 -1.00 -4.83 118.33 109.47 1qso n VAL 142 Ca -0.01 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1qso n VAL 142 Cb 0.03 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1qso n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qso n GLY 143 N -0.23 4.26 3.53 7.63 0.00 -0.16 -5.06 105.19 115.15 1qso n GLY 143 Ca 0.06 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.14 1qso n GLY 143 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qso s TYR 144 N -0.37 -0.68 0.14 1.61 -0.85 -1.25 -4.65 117.35 111.30 1qso s TYR 144 Ca 0.00 1.60 -0.30 0.00 -0.52 0.00 0.00 57.07 57.85 1qso s TYR 144 Cb 0.00 0.26 -0.08 0.00 0.38 0.00 0.00 41.96 42.52 1qso s TYR 144 CO 0.00 -0.37 1.27 0.21 -1.52 0.00 0.00 175.55 175.13 1qso s LYS 145 N 0.09 4.41 0.09 -3.49 2.20 -1.26 -5.02 119.74 116.77 1qso s LYS 145 Ca -0.02 1.93 -0.11 0.00 -0.36 0.00 0.00 55.97 57.41 1qso s LYS 145 Cb -0.04 -3.26 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 1qso s LYS 145 CO 0.02 -0.25 0.44 0.00 -0.36 0.00 0.00 175.35 175.21 1qso s ALA 146 N 0.52 3.68 -0.10 3.13 0.00 -1.26 -4.95 121.76 122.78 1qso s ALA 146 Ca 0.58 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1qso s ALA 146 Cb -0.34 -2.35 -0.19 0.00 0.00 0.00 0.00 23.12 20.25 1qso s ALA 146 CO 0.34 0.53 2.75 -0.35 0.00 0.00 0.00 175.76 179.03 1qso n PRO 147 N 0.96 1.57 -4.47 0.00 -0.04 -1.26 -4.85 135.00 126.91 1qso n PRO 147 Ca -0.08 -0.82 -0.27 0.00 -0.04 0.00 0.00 63.50 62.29 1qso n PRO 147 Cb 0.52 -1.93 -0.13 0.00 -0.04 0.00 0.00 33.50 31.92 1qso n PRO 147 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1qso s LYS 148 N 1.66 1.37 -0.13 0.54 -0.14 -1.26 -5.13 119.74 116.65 1qso s LYS 148 Ca 0.49 -1.20 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1qso s LYS 148 Cb 0.22 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.68 1qso s LYS 148 CO -0.00 0.41 -0.20 0.42 -0.76 0.00 0.00 175.35 175.22 1qso s ILE 149 N -1.02 2.31 -0.04 2.17 1.01 -1.26 -5.12 121.20 119.25 1qso s ILE 149 Ca 0.10 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1qso s ILE 149 Cb -0.10 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 1qso s ILE 149 CO 0.04 0.54 0.50 -0.22 0.00 0.00 0.00 174.94 175.80 1qso s LEU 150 N 0.68 4.39 -0.07 2.97 2.96 -1.26 -5.08 118.68 123.26 1qso s LEU 150 Ca -0.09 0.99 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 1qso s LEU 150 Cb -0.16 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.79 1qso s LEU 150 CO 0.02 0.14 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.67 1qso s TYR 151 N -0.23 2.19 0.25 5.38 1.51 -1.26 -5.14 117.35 120.05 1qso s TYR 151 Ca 0.27 -0.79 0.10 0.00 -1.01 0.00 0.00 57.07 55.64 1qso s TYR 151 Cb -0.17 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1qso s TYR 151 CO 0.14 -0.30 -0.05 0.15 -1.11 0.00 0.00 175.55 174.37 1qso s LYS 152 N 0.23 2.16 0.50 -0.62 1.02 -1.26 -5.11 119.74 116.65 1qso s LYS 152 Ca -0.12 -1.42 -0.21 0.00 0.02 0.00 0.00 55.97 54.24 1qso s LYS 152 Cb -0.15 -2.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.97 1qso s LYS 152 CO 0.06 0.38 1.10 0.50 -0.92 0.00 0.00 175.35 176.47 1qso s ARG 153 N -3.44 3.65 0.25 1.68 3.52 -1.26 -4.97 118.95 118.37 1qso s ARG 153 Ca 0.30 1.56 -0.30 0.00 -0.13 0.00 0.00 55.73 57.16 1qso s ARG 153 Cb -0.07 -2.16 -0.10 0.00 -1.56 0.00 0.00 34.95 31.06 1qso s ARG 153 CO 0.18 -0.60 1.38 0.15 -0.81 0.00 0.00 175.30 175.60 1qso s LYS 154 N -3.08 4.32 0.00 5.12 1.02 -1.26 -2.19 119.74 123.67 1qso s LYS 154 Ca 0.68 2.22 0.00 0.00 0.02 0.00 0.00 55.97 58.89 1qso s LYS 154 Cb -0.22 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1qso s LYS 154 CO 0.26 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1qso n GLY 155 N 1.98 1.12 0.00 -3.33 0.00 -1.26 -5.36 105.19 98.34 1qso n GLY 155 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qso n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60