#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 2.89 -0.23 -1.44 1.09 -1.26 -3.52 121.20 118.74 1qso s ILE 9 Ca 0.00 0.15 -0.03 0.00 -1.10 0.00 0.00 60.65 59.67 1qso s ILE 9 Cb 0.00 -3.26 0.11 0.00 -1.06 0.00 0.00 42.46 38.25 1qso s ILE 9 CO 0.00 -0.33 0.27 -0.89 -0.10 0.00 0.00 174.94 173.89 1qso s THR 10 N -3.35 -0.40 -0.10 2.92 2.01 -0.94 -4.82 115.64 110.96 1qso s THR 10 Ca 0.59 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.27 1qso s THR 10 Cb -0.11 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1qso s THR 10 CO 0.49 -0.24 0.35 -0.69 -0.69 0.00 0.00 174.62 173.84 1qso s VAL 11 N 2.38 5.22 0.18 3.82 1.01 -1.26 -0.78 120.40 130.96 1qso s VAL 11 Ca 0.09 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 1qso s VAL 11 Cb -0.15 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1qso s VAL 11 CO -0.17 0.47 0.52 0.00 0.00 0.00 0.00 175.10 175.92 1qso s ARG 12 N -0.18 1.31 0.66 2.72 1.70 -0.80 -4.99 118.95 119.37 1qso s ARG 12 Ca 0.20 -0.76 -0.16 0.00 -0.47 0.00 0.00 55.73 54.55 1qso s ARG 12 Cb -0.14 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 1qso s ARG 12 CO 0.08 -0.56 1.14 -0.06 -1.08 0.00 0.00 175.30 174.82 1qso s PHE 13 N -3.84 2.47 0.38 5.89 0.40 -1.26 -0.68 117.98 121.35 1qso s PHE 13 Ca 0.06 1.56 -0.24 0.00 -0.60 0.00 0.00 56.93 57.71 1qso s PHE 13 Cb -0.01 -3.27 -0.10 0.00 0.51 0.00 0.00 43.02 40.16 1qso s PHE 13 CO -0.06 -1.92 1.00 0.14 0.70 0.00 0.00 175.22 175.08 1qso s VAL 14 N -2.16 3.96 0.35 -0.44 -7.23 -0.99 -4.75 120.40 109.14 1qso s VAL 14 Ca 0.70 1.49 0.08 0.00 -1.81 0.00 0.00 61.98 62.44 1qso s VAL 14 Cb -0.23 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 32.89 1qso s VAL 14 CO 0.40 0.00 0.11 0.42 -0.31 0.00 0.00 175.10 175.72 1qso s THR 15 N -1.72 2.79 0.56 5.32 -4.23 -1.26 -4.95 115.64 112.15 1qso s THR 15 Ca 0.56 -1.78 0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1qso s THR 15 Cb -0.19 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.04 1qso s THR 15 CO 0.24 -0.16 2.20 -0.08 -0.54 0.00 0.00 174.62 176.29 1qso h GLU 16 N 1.61 0.00 0.00 3.99 4.57 -1.99 0.29 114.58 123.05 1qso h GLU 16 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 1qso h GLU 16 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1qso h GLU 16 CO 0.65 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 178.57 1qso n ASN 17 N -4.16 0.00 -0.77 1.04 4.13 -1.26 -2.48 115.26 111.76 1qso n ASN 17 Ca -0.03 -1.34 0.07 0.00 1.68 0.00 0.00 54.58 54.97 1qso n ASN 17 Cb 0.10 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 38.52 1qso n ASN 17 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1qso n ASP 18 N -0.80 3.09 0.21 6.41 8.00 0.09 -4.60 116.55 128.96 1qso n ASP 18 Ca 0.14 -1.99 0.05 0.00 0.71 0.00 0.00 54.79 53.69 1qso n ASP 18 Cb 0.06 -0.27 0.44 0.00 -0.02 0.00 0.00 41.12 41.33 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 2.45 0.00 0.08 -1.24 3.64 -1.58 -1.84 116.57 118.07 1qso h LYS 19 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1qso h LYS 19 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1qso h LYS 19 CO 0.00 0.29 -0.71 1.49 -2.27 0.00 0.00 179.45 178.25 1qso h GLU 20 N 0.00 0.16 -0.97 1.90 4.81 -1.84 -1.33 114.58 117.31 1qso h GLU 20 Ca -0.00 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1qso h GLU 20 Cb 0.53 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1qso h GLU 20 CO 0.04 1.13 0.64 0.78 -0.73 0.00 0.00 179.01 180.87 1qso h GLY 21 N -0.56 1.38 0.48 1.92 0.00 -1.86 0.25 103.07 104.70 1qso h GLY 21 Ca -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1qso h GLY 21 CO 0.05 0.48 -0.04 -0.25 0.00 0.00 0.00 176.54 176.77 1qso h TRP 22 N 1.29 0.08 -0.10 5.60 7.01 -1.45 -3.04 115.95 125.34 1qso h TRP 22 Ca 0.37 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.36 1qso h TRP 22 Cb -0.11 -0.02 -0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1qso h TRP 22 CO -0.00 0.63 0.08 0.37 -2.79 0.00 0.00 178.44 176.72 1qso h GLN 23 N -0.48 0.00 0.72 2.65 4.15 -0.87 0.19 115.11 121.47 1qso h GLN 23 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1qso h GLN 23 Cb 0.62 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.32 1qso h GLN 23 CO 0.01 0.00 -0.34 -0.09 -1.93 0.00 0.00 178.83 176.48 1qso h ARG 24 N 0.00 -0.93 -1.00 1.69 2.43 -0.48 -2.66 114.38 113.43 1qso h ARG 24 Ca 0.05 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.36 1qso h ARG 24 Cb 0.20 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.89 1qso h ARG 24 CO -0.00 -0.59 0.65 -0.07 -1.51 0.00 0.00 179.97 178.44 1qso h LEU 25 N -1.18 1.02 -0.57 3.80 3.38 -1.27 -1.85 115.31 118.65 1qso h LEU 25 Ca -0.10 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1qso h LEU 25 Cb 0.76 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 1qso h LEU 25 CO 0.16 0.64 0.08 -0.25 0.09 0.00 0.00 178.44 179.15 1qso h TRP 26 N 1.15 0.11 -0.46 1.13 -0.00 -0.56 0.73 115.95 118.04 1qso h TRP 26 Ca 0.44 0.04 -0.12 0.00 -0.00 0.00 0.00 58.89 59.25 1qso h TRP 26 Cb 0.22 0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 1qso h TRP 26 CO -0.00 -0.07 -0.19 0.87 -0.00 0.00 0.00 178.44 179.06 1qso h LYS 27 N 0.20 0.91 -0.38 2.65 1.79 -1.00 -1.84 116.57 118.90 1qso h LYS 27 Ca 0.29 -0.36 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 1qso h LYS 27 Cb 0.44 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1qso h LYS 27 CO -0.41 1.01 -0.04 0.77 -1.08 0.00 0.00 179.45 179.70 1qso h SER 28 N 0.80 0.59 0.72 0.86 0.02 -0.52 -1.48 113.55 114.54 1qso h SER 28 Ca 0.11 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1qso h SER 28 Cb 0.73 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1qso h SER 28 CO 0.06 0.69 -0.46 0.22 -1.14 0.00 0.00 176.83 176.20 1qso h TYR 29 N 0.58 0.00 0.00 3.45 3.20 0.70 -1.43 116.97 123.46 1qso h TYR 29 Ca 0.12 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.85 1qso h TYR 29 Cb 0.43 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1qso h TYR 29 CO 0.02 0.46 -0.64 1.96 -1.64 0.00 0.00 178.16 178.32 1qso h GLN 30 N 0.00 0.00 0.40 1.82 4.20 -0.49 -3.29 115.11 117.74 1qso h GLN 30 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1qso h GLN 30 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1qso h GLN 30 CO 0.06 0.64 -0.19 -0.44 -0.67 0.00 0.00 178.83 178.22 1qso h ASP 31 N 0.00 -0.46 -1.58 1.46 3.45 -0.96 0.32 116.42 118.65 1qso h ASP 31 Ca -0.01 0.02 -0.45 0.00 0.43 0.00 0.00 57.03 57.01 1qso h ASP 31 Cb 1.37 0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 40.21 1qso h ASP 31 CO 0.08 -0.07 1.14 0.12 -1.57 0.00 0.00 179.24 178.95 1qso s PHE 32 N -3.32 1.87 0.00 4.55 5.36 -0.57 -0.25 117.98 125.62 1qso s PHE 32 Ca -0.08 0.47 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 1qso s PHE 32 Cb 0.01 -4.21 0.00 0.00 -0.34 0.00 0.00 43.02 38.48 1qso s PHE 32 CO 0.24 -2.08 0.00 0.66 -1.46 0.00 0.00 175.22 172.58 1qso n TYR 33 N 12.26 0.00 -3.66 10.12 4.02 -1.26 -4.67 117.16 133.96 1qso n TYR 33 Ca 0.25 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.89 1qso n TYR 33 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.86 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 0.00 -3.15 -4.11 -0.72 1.02 0.66 -5.01 120.64 109.33 1qso n GLU 34 Ca 0.00 0.57 -0.12 0.00 -0.02 0.00 0.00 57.16 57.59 1qso n GLU 34 Cb 0.00 -4.84 -0.11 0.00 -0.02 0.00 0.00 31.44 26.47 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 -3.60 0.60 -0.24 2.62 -7.23 0.11 -5.03 120.40 107.62 1qso s VAL 35 Ca 0.22 -1.43 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 1qso s VAL 35 Cb -0.06 -1.05 0.08 0.00 0.56 0.00 0.00 36.38 35.91 1qso s VAL 35 CO 0.83 -0.59 0.11 -0.94 -0.31 0.00 0.00 175.10 174.20 1qso s SER 36 N -2.19 3.07 0.37 4.85 1.04 -1.26 -4.28 113.70 115.30 1qso s SER 36 Ca -0.01 -1.02 -0.10 0.00 0.48 0.00 0.00 55.95 55.30 1qso s SER 36 Cb -0.04 -0.31 -0.07 0.00 0.10 0.00 0.00 66.02 65.71 1qso s SER 36 CO -0.02 -0.40 0.73 -0.36 0.98 0.00 0.00 173.24 174.17 1qso s PHE 37 N 2.11 3.46 0.38 5.02 0.08 -1.26 -5.02 117.98 122.75 1qso s PHE 37 Ca 0.06 1.01 -0.25 0.00 0.12 0.00 0.00 56.93 57.87 1qso s PHE 37 Cb -0.16 -2.40 -0.12 0.00 -0.57 0.00 0.00 43.02 39.77 1qso s PHE 37 CO -0.26 -0.03 1.04 -0.35 -0.10 0.00 0.00 175.22 175.52 1qso n PRO 38 N -1.08 1.43 0.18 0.24 -0.04 -1.26 -4.83 135.00 129.64 1qso n PRO 38 Ca 0.02 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 1qso n PRO 38 Cb 0.54 -2.03 0.58 0.00 -0.04 0.00 0.00 33.50 32.55 1qso n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1qso h ASP 39 N 1.75 0.00 0.34 3.54 1.82 -2.05 -2.50 116.42 119.32 1qso h ASP 39 Ca -0.44 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 55.90 1qso h ASP 39 Cb 1.33 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.37 1qso h ASP 39 CO 0.58 0.00 -1.31 0.44 -1.61 0.00 0.00 179.24 177.34 1qso h ASP 40 N 0.00 0.71 -1.31 2.28 3.32 -2.03 -3.35 116.42 116.05 1qso h ASP 40 Ca 0.00 -0.72 0.40 0.00 0.02 0.00 0.00 57.03 56.73 1qso h ASP 40 Cb 0.14 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.36 1qso h ASP 40 CO 0.00 1.55 0.88 -0.07 -1.72 0.00 0.00 179.24 179.88 1qso h LEU 41 N 0.17 0.22 -0.00 1.55 3.38 -1.80 0.34 115.31 119.16 1qso h LEU 41 Ca -0.19 0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1qso h LEU 41 Cb 2.01 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 1qso h LEU 41 CO 0.24 -0.07 -0.18 0.44 0.09 0.00 0.00 178.44 178.97 1qso h ASP 42 N 0.13 -0.51 0.10 -0.43 5.19 -1.76 0.10 116.42 119.24 1qso h ASP 42 Ca 0.74 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 57.22 1qso h ASP 42 Cb 2.41 0.22 0.00 0.00 0.18 0.00 0.00 39.33 42.14 1qso h ASP 42 CO -0.27 -0.24 -0.05 0.44 -3.12 0.00 0.00 179.24 176.00 1qso h ASP 43 N -0.29 -0.12 -1.01 6.45 3.45 -1.21 -1.39 116.42 122.30 1qso h ASP 43 Ca 0.06 -0.31 0.24 0.00 0.43 0.00 0.00 57.03 57.45 1qso h ASP 43 Cb 0.36 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 39.06 1qso h ASP 43 CO -0.17 0.26 0.64 0.15 -1.57 0.00 0.00 179.24 178.55 1qso h PHE 44 N -0.51 0.78 0.00 4.55 3.57 -1.12 0.36 116.94 124.57 1qso h PHE 44 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1qso h PHE 44 Cb 0.42 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1qso h PHE 44 CO 0.04 0.10 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.31 1qso h ASN 45 N 0.49 0.00 -0.52 0.41 4.21 -0.75 -3.01 115.58 116.42 1qso h ASN 45 Ca 0.59 -0.90 0.11 0.00 1.21 0.00 0.00 56.30 57.31 1qso h ASN 45 Cb 1.31 -0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.49 1qso h ASN 45 CO -0.33 0.90 0.36 0.15 -1.29 0.00 0.00 177.43 177.22 1qso h PHE 46 N -0.89 0.23 0.77 1.19 3.57 -0.05 0.32 116.94 122.08 1qso h PHE 46 Ca -0.00 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1qso h PHE 46 Cb 0.90 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.57 1qso h PHE 46 CO 0.24 0.10 -0.37 0.78 -2.23 0.00 0.00 178.31 176.84 1qso h GLY 47 N 0.21 -1.08 1.24 2.40 0.00 -0.42 -1.61 103.07 103.82 1qso h GLY 47 Ca 0.25 0.40 0.10 0.00 0.00 0.00 0.00 47.33 48.08 1qso h GLY 47 CO -0.04 -0.39 0.28 3.21 0.00 0.00 0.00 176.54 179.59 1qso h ARG 48 N -1.20 0.00 -0.17 4.80 3.08 -0.98 0.70 114.38 120.61 1qso h ARG 48 Ca -0.11 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 1qso h ARG 48 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1qso h ARG 48 CO 0.17 0.00 -0.50 0.74 -1.07 0.00 0.00 179.97 179.31 1qso h PHE 49 N 0.00 0.58 0.03 3.04 0.04 -0.10 -3.31 116.94 117.22 1qso h PHE 49 Ca 0.17 -0.19 -0.30 0.00 2.80 0.00 0.00 57.97 60.45 1qso h PHE 49 Cb 0.72 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 1qso h PHE 49 CO 0.00 0.88 -1.67 -0.07 -0.60 0.00 0.00 178.31 176.85 1qso h LEU 50 N 0.37 0.10 -9.29 1.54 3.38 0.05 -3.43 115.31 108.04 1qso h LEU 50 Ca 0.02 -0.20 -0.55 0.00 0.09 0.00 0.00 57.88 57.24 1qso h LEU 50 Cb 1.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1qso h LEU 50 CO 0.09 1.18 1.02 -0.62 0.09 0.00 0.00 178.44 180.20 1qso s ASP 51 N -6.38 6.71 0.00 -0.43 2.15 -0.25 -4.89 116.67 113.58 1qso s ASP 51 Ca -0.07 2.19 0.09 0.00 0.43 0.00 0.00 52.55 55.19 1qso s ASP 51 Cb 0.08 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.58 1qso s ASP 51 CO 0.82 -0.88 1.25 -2.65 -0.17 0.00 0.00 175.17 173.54 1qso n PRO 52 N 6.67 0.05 -0.05 4.34 -0.02 -1.26 -2.83 135.00 141.90 1qso n PRO 52 Ca 0.16 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 1qso n PRO 52 Cb 0.43 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1qso n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qso n ASN 53 N -1.41 0.47 -4.60 2.55 4.13 -1.26 -4.82 115.26 110.31 1qso n ASN 53 Ca 0.03 0.22 -0.41 0.00 1.68 0.00 0.00 54.58 56.10 1qso n ASN 53 Cb 0.09 0.45 -0.06 0.00 -1.54 0.00 0.00 39.78 38.72 1qso n ASN 53 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1qso s ILE 54 N -2.58 4.88 -0.67 2.41 1.01 -1.13 -4.95 121.20 120.17 1qso s ILE 54 Ca -0.07 0.96 -0.06 0.00 0.00 0.00 0.00 60.65 61.48 1qso s ILE 54 Cb 0.07 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.37 1qso s ILE 54 CO 0.83 -0.19 2.53 0.29 0.00 0.00 0.00 174.94 178.40 1qso n LYS 55 N 6.01 2.13 -3.79 2.79 5.02 -1.26 -4.72 118.16 124.34 1qso n LYS 55 Ca 0.01 -1.29 -0.25 0.00 -2.02 0.00 0.00 58.31 54.76 1qso n LYS 55 Cb 0.49 -2.27 -0.17 0.00 -0.02 0.00 0.00 35.03 33.05 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 2.40 0.77 0.37 1.97 1.75 -1.26 -1.43 119.30 123.87 1qso s MET 56 Ca 0.49 -0.06 0.08 0.00 -1.25 0.00 0.00 55.69 54.95 1qso s MET 56 Cb 0.17 -1.31 -0.06 0.00 2.84 0.00 0.00 34.83 36.47 1qso s MET 56 CO -0.02 -0.37 0.04 -1.58 -0.65 0.00 0.00 175.02 172.44 1qso s TRP 57 N 1.90 2.54 -0.09 4.11 0.51 0.75 -3.67 118.94 125.00 1qso s TRP 57 Ca 0.04 -0.51 -0.08 0.00 -2.12 0.00 0.00 56.10 53.43 1qso s TRP 57 Cb -0.13 -1.62 0.02 0.00 -0.81 0.00 0.00 33.47 30.93 1qso s TRP 57 CO -0.06 0.42 0.24 0.00 -0.51 0.00 0.00 176.95 177.04 1qso s ALA 58 N -2.57 -0.58 0.29 0.98 0.00 -1.26 -1.25 121.76 117.37 1qso s ALA 58 Ca 0.36 0.65 0.05 0.00 0.00 0.00 0.00 51.96 53.02 1qso s ALA 58 Cb 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 1qso s ALA 58 CO 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.84 1qso s ALA 59 N 0.10 2.27 0.02 0.00 0.00 -0.20 -2.35 121.76 121.59 1qso s ALA 59 Ca -0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1qso s ALA 59 Cb -0.02 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1qso s ALA 59 CO 0.00 -0.21 -0.03 0.14 0.00 0.00 0.00 175.76 175.67 1qso s VAL 60 N -3.20 0.16 -0.43 0.00 -7.23 0.15 -2.35 120.40 107.49 1qso s VAL 60 Ca 0.32 -0.69 -0.14 0.00 -1.81 0.00 0.00 61.98 59.66 1qso s VAL 60 Cb 0.06 -0.25 0.05 0.00 0.56 0.00 0.00 36.38 36.80 1qso s VAL 60 CO 0.13 -0.34 0.32 0.00 -0.31 0.00 0.00 175.10 174.90 1qso s ALA 61 N -1.05 3.45 -0.19 1.32 0.00 0.42 -1.91 121.76 123.80 1qso s ALA 61 Ca -0.11 -1.94 -0.08 0.00 0.00 0.00 0.00 51.96 49.83 1qso s ALA 61 Cb -0.07 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1qso s ALA 61 CO -0.01 -1.58 0.09 0.14 0.00 0.00 0.00 175.76 174.40 1qso s VAL 62 N 1.61 5.02 -0.43 0.00 -7.23 0.04 0.15 120.40 119.56 1qso s VAL 62 Ca 0.04 0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 59.99 1qso s VAL 62 Cb -0.22 -3.27 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 1qso s VAL 62 CO 0.07 0.46 1.99 -0.70 -0.31 0.00 0.00 175.10 176.61 1qso s GLU 63 N 0.33 2.85 0.34 4.82 2.12 0.27 -2.22 118.70 127.22 1qso s GLU 63 Ca 0.05 1.25 0.07 0.00 0.36 0.00 0.00 54.97 56.70 1qso s GLU 63 Cb -0.12 -4.35 0.75 0.00 0.26 0.00 0.00 34.13 30.67 1qso s GLU 63 CO -0.01 -2.44 1.88 0.66 -0.54 0.00 0.00 175.26 174.82 1qso h SER 64 N 15.11 0.71 -0.08 -1.70 4.64 -1.88 1.26 113.55 131.61 1qso h SER 64 Ca -0.30 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1qso h SER 64 Cb 1.20 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qso h SER 64 CO 1.10 0.38 0.00 -0.24 -0.87 0.00 0.00 176.83 177.21 1qso n SER 65 N -4.55 0.75 0.00 4.97 2.88 -1.26 -3.98 113.62 112.43 1qso n SER 65 Ca 0.16 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 1qso n SER 65 Cb 0.40 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.16 0.00 -3.72 -3.46 3.41 -0.65 -5.03 113.62 104.01 1qso n SER 66 Ca 0.03 -0.75 -0.25 0.00 -0.26 0.00 0.00 58.87 57.64 1qso n SER 66 Cb 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1qso n SER 66 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qso n GLU 67 N 0.00 -6.33 -4.87 4.33 1.02 0.43 -4.96 120.64 110.25 1qso n GLU 67 Ca 0.00 0.71 -0.33 0.00 -0.02 0.00 0.00 57.16 57.52 1qso n GLU 67 Cb 0.19 -5.60 -0.15 0.00 -0.02 0.00 0.00 31.44 25.86 1qso n GLU 67 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1qso s LYS 68 N -6.26 3.21 -0.56 3.49 2.47 -1.13 -4.81 119.74 116.15 1qso s LYS 68 Ca 0.44 -0.72 -0.27 0.00 -1.56 0.00 0.00 55.97 53.85 1qso s LYS 68 Cb -0.21 -2.54 -0.01 0.00 -1.46 0.00 0.00 37.83 33.61 1qso s LYS 68 CO 0.78 0.26 1.69 0.42 0.16 0.00 0.00 175.35 178.67 1qso s ILE 69 N 0.21 3.52 -0.00 5.43 1.01 -1.26 0.96 121.20 131.06 1qso s ILE 69 Ca -0.09 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 1qso s ILE 69 Cb -0.16 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.23 1qso s ILE 69 CO 0.06 -0.95 -0.00 0.40 0.00 0.00 0.00 174.94 174.45 1qso h ILE 70 N 6.68 0.00 -1.85 2.92 2.04 0.11 -3.48 117.51 123.93 1qso h ILE 70 Ca -0.28 -0.03 -0.59 0.00 1.00 0.00 0.00 64.86 64.96 1qso h ILE 70 Cb 1.14 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 1qso h ILE 70 CO 1.18 0.00 -0.61 -0.83 0.00 0.00 0.00 178.15 177.89 1qso s GLY 71 N -2.11 2.18 0.10 5.37 0.00 -1.18 -1.98 107.32 109.69 1qso s GLY 71 Ca -0.00 -2.04 0.03 0.00 0.00 0.00 0.00 44.72 42.71 1qso s GLY 71 CO 0.00 -1.95 -0.09 -3.16 0.00 0.00 0.00 173.10 167.90 1qso s MET 72 N -3.72 0.86 -0.16 2.90 0.23 -0.66 -0.44 119.30 118.31 1qso s MET 72 Ca 0.35 -1.21 -0.06 0.00 -1.03 0.00 0.00 55.69 53.74 1qso s MET 72 Cb 0.02 -0.46 0.08 0.00 -1.53 0.00 0.00 34.83 32.94 1qso s MET 72 CO 0.19 0.06 0.34 -1.50 -2.03 0.00 0.00 175.02 172.08 1qso s ILE 73 N -2.76 -0.52 -0.16 3.16 2.07 -0.99 -1.86 121.20 120.14 1qso s ILE 73 Ca 0.07 0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.50 1qso s ILE 73 Cb -0.01 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 42.01 1qso s ILE 73 CO -0.01 0.09 -0.05 0.20 -1.91 0.00 0.00 174.94 173.26 1qso s ASN 74 N 2.48 4.58 0.10 4.50 0.02 -0.72 -1.03 114.94 124.86 1qso s ASN 74 Ca -0.01 -0.21 -0.06 0.00 -1.02 0.00 0.00 52.86 51.57 1qso s ASN 74 Cb -0.12 -1.75 -0.02 0.00 0.02 0.00 0.00 41.25 39.38 1qso s ASN 74 CO -0.11 0.13 0.13 0.72 0.02 0.00 0.00 177.10 177.99 1qso s PHE 75 N 0.59 0.41 0.30 2.20 -0.12 -0.38 -0.98 117.98 120.00 1qso s PHE 75 Ca -0.04 -0.85 -0.15 0.00 -0.05 0.00 0.00 56.93 55.84 1qso s PHE 75 Cb -0.15 -0.21 0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1qso s PHE 75 CO 0.03 -0.53 0.64 -0.59 -0.05 0.00 0.00 175.22 174.72 1qso s PHE 76 N -3.93 0.17 0.13 3.49 -0.12 -0.86 -0.18 117.98 116.69 1qso s PHE 76 Ca 0.11 -0.63 0.02 0.00 -0.05 0.00 0.00 56.93 56.37 1qso s PHE 76 Cb 0.06 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1qso s PHE 76 CO -0.07 -1.24 0.27 1.21 -0.05 0.00 0.00 175.22 175.35 1qso s ASN 77 N -3.02 6.35 -0.08 1.98 2.47 -0.51 -1.31 114.94 120.82 1qso s ASN 77 Ca 0.17 0.22 -0.30 0.00 0.42 0.00 0.00 52.86 53.37 1qso s ASN 77 Cb -0.04 -1.93 0.10 0.00 -1.45 0.00 0.00 41.25 37.93 1qso s ASN 77 CO 0.10 0.08 0.83 -1.38 -3.72 0.00 0.00 177.10 173.01 1qso s HIS 78 N -1.69 -0.50 0.63 0.43 -3.43 -0.95 -4.96 115.29 104.82 1qso s HIS 78 Ca 0.35 0.79 -0.11 0.00 -0.80 0.00 0.00 55.06 55.29 1qso s HIS 78 Cb -0.12 0.45 0.16 0.00 -1.43 0.00 0.00 32.58 31.64 1qso s HIS 78 CO 0.28 -0.50 0.56 -1.33 -2.00 0.00 0.00 174.74 171.75 1qso n MET 79 N 0.66 -2.13 -3.52 -0.38 2.81 -1.26 -1.71 117.12 111.59 1qso n MET 79 Ca -0.14 -0.89 -0.00 0.00 -1.81 0.00 0.00 57.70 54.85 1qso n MET 79 Cb 0.58 -0.84 -0.05 0.00 -0.71 0.00 0.00 33.22 32.20 1qso n MET 79 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1qso s THR 80 N -2.00 -0.37 -0.98 2.03 -1.32 -1.26 -4.64 115.64 107.09 1qso s THR 80 Ca 0.36 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.90 1qso s THR 80 Cb -0.04 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.00 1qso s THR 80 CO 0.28 0.00 1.18 0.35 -2.21 0.00 0.00 174.62 174.22 1qso n THR 81 N 4.59 1.62 -4.15 5.08 -2.24 -1.26 -4.37 114.28 113.54 1qso n THR 81 Ca -0.13 0.42 -0.35 0.00 -2.27 0.00 0.00 64.05 61.72 1qso n THR 81 Cb 0.54 -1.33 -0.09 0.00 -2.10 0.00 0.00 70.33 67.35 1qso n THR 81 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1qso s TRP 82 N -3.02 3.26 0.47 4.78 0.52 -1.26 -4.99 118.94 118.70 1qso s TRP 82 Ca 0.02 0.17 0.00 0.00 0.02 0.00 0.00 56.10 56.32 1qso s TRP 82 Cb 0.04 -1.93 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1qso s TRP 82 CO 0.10 0.36 0.00 -3.47 0.02 0.00 0.00 176.95 173.96 1qso n ASP 83 N 2.73 -6.96 0.09 2.95 2.03 -1.26 -4.78 116.55 111.36 1qso n ASP 83 Ca -0.18 1.41 -0.06 0.00 0.52 0.00 0.00 54.79 56.48 1qso n ASP 83 Cb 0.53 -3.90 0.02 0.00 -0.72 0.00 0.00 41.12 37.05 1qso n ASP 83 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1qso h PHE 84 N 0.42 0.12 -3.51 -0.67 -1.00 -1.94 -3.44 116.94 106.91 1qso h PHE 84 Ca 0.00 -0.07 -0.53 0.00 2.81 0.00 0.00 57.97 60.19 1qso h PHE 84 Cb 0.60 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 1qso h PHE 84 CO 0.05 0.86 0.30 0.15 -1.61 0.00 0.00 178.31 178.07 1qso s LYS 85 N -3.21 4.63 1.20 1.51 1.02 -1.26 -4.99 119.74 118.63 1qso s LYS 85 Ca -0.01 1.34 -0.18 0.00 0.02 0.00 0.00 55.97 57.13 1qso s LYS 85 Cb 0.11 -3.38 0.28 0.00 -0.52 0.00 0.00 37.83 34.32 1qso s LYS 85 CO 0.80 0.21 1.07 -0.51 -0.92 0.00 0.00 175.35 176.01 1qso s ASP 86 N 0.07 0.91 0.16 2.83 -0.00 -1.26 -4.77 116.67 114.61 1qso s ASP 86 Ca 0.45 0.83 0.04 0.00 -0.00 0.00 0.00 52.55 53.87 1qso s ASP 86 Cb -0.22 -1.22 -0.05 0.00 -0.00 0.00 0.00 42.92 41.43 1qso s ASP 86 CO 0.28 -4.15 -0.06 -1.59 -0.00 0.00 0.00 175.17 169.64 1qso s LYS 87 N -5.20 1.08 -0.14 8.23 -2.85 -0.69 -4.68 119.74 115.50 1qso s LYS 87 Ca 0.69 -1.49 -0.03 0.00 -1.00 0.00 0.00 55.97 54.15 1qso s LYS 87 Cb -0.13 -0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 35.10 1qso s LYS 87 CO 0.57 0.00 -0.03 0.42 0.10 0.00 0.00 175.35 176.42 1qso s ILE 88 N -3.43 3.99 -0.16 3.79 1.01 0.38 -2.23 121.20 124.55 1qso s ILE 88 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1qso s ILE 88 Cb 0.04 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 1qso s ILE 88 CO 0.02 0.52 -0.12 -0.47 0.00 0.00 0.00 174.94 174.89 1qso s TYR 89 N 0.05 2.84 -0.74 3.97 5.04 -0.43 -1.15 117.35 126.94 1qso s TYR 89 Ca 0.01 -0.89 -0.22 0.00 -2.44 0.00 0.00 57.07 53.53 1qso s TYR 89 Cb -0.13 -1.93 0.08 0.00 0.35 0.00 0.00 41.96 40.33 1qso s TYR 89 CO 0.03 -0.40 1.03 0.42 -1.34 0.00 0.00 175.55 175.28 1qso s ILE 90 N 0.82 4.39 0.17 3.14 1.01 -0.24 -2.02 121.20 128.46 1qso s ILE 90 Ca -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1qso s ILE 90 Cb -0.15 -4.73 -0.08 0.00 0.01 0.00 0.00 42.46 37.51 1qso s ILE 90 CO 0.00 -1.50 1.45 -1.13 0.00 0.00 0.00 174.94 173.77 1qso h ASN 91 N 9.42 0.69 -4.89 3.58 -0.00 -1.37 -3.42 115.58 119.58 1qso h ASN 91 Ca -0.17 -0.39 -0.21 0.00 -0.00 0.00 0.00 56.30 55.53 1qso h ASN 91 Cb 1.06 -0.20 -0.19 0.00 -0.00 0.00 0.00 38.32 38.98 1qso h ASN 91 CO 1.18 1.14 -0.71 -1.81 -0.00 0.00 0.00 177.43 177.23 1qso s ASP 92 N -6.96 0.61 -0.30 1.15 1.01 -0.92 -4.99 116.67 106.28 1qso s ASP 92 Ca -0.08 -0.65 -0.10 0.00 0.71 0.00 0.00 52.55 52.43 1qso s ASP 92 Cb 0.11 0.09 0.14 0.00 1.01 0.00 0.00 42.92 44.27 1qso s ASP 92 CO 0.86 -0.33 0.70 -0.22 0.21 0.00 0.00 175.17 176.39 1qso s LEU 93 N -1.92 -1.07 -0.26 1.23 2.96 -1.26 -1.76 118.68 116.59 1qso s LEU 93 Ca -0.07 1.39 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 1qso s LEU 93 Cb -0.05 2.19 0.15 0.00 0.50 0.00 0.00 46.19 48.98 1qso s LEU 93 CO -0.02 -0.20 0.44 -0.47 -1.32 0.00 0.00 176.35 174.77 1qso s TYR 94 N 2.83 -1.06 0.64 5.38 5.04 -0.78 -5.00 117.35 124.40 1qso s TYR 94 Ca -0.03 1.00 -0.07 0.00 -2.44 0.00 0.00 57.07 55.53 1qso s TYR 94 Cb -0.11 0.14 0.03 0.00 0.35 0.00 0.00 41.96 42.36 1qso s TYR 94 CO -0.19 -0.80 0.96 0.08 -1.34 0.00 0.00 175.55 174.26 1qso s VAL 95 N 2.63 3.18 0.03 3.14 1.01 -1.26 -1.65 120.40 127.48 1qso s VAL 95 Ca 0.14 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1qso s VAL 95 Cb -0.15 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 1qso s VAL 95 CO -0.19 -0.32 1.79 -0.62 0.00 0.00 0.00 175.10 175.76 1qso s ASP 96 N -4.38 6.54 0.20 3.32 -1.08 -0.84 -4.86 116.67 115.57 1qso s ASP 96 Ca 0.56 2.53 0.20 0.00 -0.52 0.00 0.00 52.55 55.32 1qso s ASP 96 Cb -0.11 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.68 1qso s ASP 96 CO 0.46 -0.97 1.60 -1.84 0.52 0.00 0.00 175.17 174.93 1qso n GLU 97 N 6.71 0.13 -2.44 4.34 0.28 -1.26 -3.67 120.64 124.73 1qso n GLU 97 Ca 0.18 0.44 -0.37 0.00 -0.16 0.00 0.00 57.16 57.25 1qso n GLU 97 Cb 0.41 -1.79 0.01 0.00 1.43 0.00 0.00 31.44 31.50 1qso n GLU 97 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qso n ASN 98 N -2.04 6.67 0.00 -1.84 3.02 -1.26 -4.89 115.26 114.91 1qso n ASN 98 Ca 0.01 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1qso n ASN 98 Cb 0.16 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1qso n ASN 98 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1qso n SER 99 N -0.29 0.00 -4.42 6.41 2.88 -1.24 -5.18 113.62 111.77 1qso n SER 99 Ca 0.46 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.69 1qso n SER 99 Cb 0.32 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.64 1qso n SER 99 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1qso s ARG 100 N 0.00 2.04 -0.86 -1.46 3.52 -1.26 -4.74 118.95 116.19 1qso s ARG 100 Ca 0.00 -0.99 -0.05 0.00 -0.13 0.00 0.00 55.73 54.56 1qso s ARG 100 Cb 0.00 -2.14 0.01 0.00 -1.56 0.00 0.00 34.95 31.25 1qso s ARG 100 CO 0.00 0.54 0.75 0.28 -0.81 0.00 0.00 175.30 176.06 1qso n VAL 101 N 1.71 -2.06 0.00 7.11 0.31 -1.26 -5.04 118.33 119.10 1qso n VAL 101 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1qso n VAL 101 Cb 0.52 -3.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.28 1qso n VAL 101 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1qso n LYS 102 N -3.35 0.00 0.00 5.55 5.02 -1.26 -5.06 118.16 119.06 1qso n LYS 102 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1qso n LYS 102 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1qso n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qso n GLY 103 N 5.00 0.89 3.67 0.72 0.00 -1.26 -5.10 105.19 109.11 1qso n GLY 103 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1qso n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qso n ALA 104 N 0.00 -0.23 0.00 4.61 0.00 -1.26 -2.25 120.51 121.37 1qso n ALA 104 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1qso n ALA 104 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1qso n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qso n GLY 105 N 0.58 2.18 0.15 0.00 0.00 -1.26 -4.54 105.19 102.31 1qso n GLY 105 Ca 0.13 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1qso n GLY 105 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qso h GLY 106 N 0.00 0.51 2.00 -0.02 0.00 -1.89 -1.15 103.07 102.52 1qso h GLY 106 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.47 1qso h GLY 106 CO 0.00 0.66 -0.57 0.50 0.00 0.00 0.00 176.54 177.14 1qso h LYS 107 N 0.01 0.00 -0.02 4.80 1.57 -1.72 -2.59 116.57 118.63 1qso h LYS 107 Ca -0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1qso h LYS 107 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1qso h LYS 107 CO 0.10 0.57 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.38 1qso h LEU 108 N 0.00 0.12 -2.14 2.94 3.38 -1.84 -2.06 115.31 115.71 1qso h LEU 108 Ca -0.01 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 1qso h LEU 108 Cb 1.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1qso h LEU 108 CO 0.07 0.75 -0.01 0.40 0.09 0.00 0.00 178.44 179.75 1qso h ILE 109 N -0.50 0.84 0.07 1.22 2.04 -1.20 -1.30 117.51 118.68 1qso h ILE 109 Ca -0.01 -0.03 -0.25 0.00 1.00 0.00 0.00 64.86 65.58 1qso h ILE 109 Cb 0.75 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1qso h ILE 109 CO 0.02 0.01 -1.09 -0.61 0.00 0.00 0.00 178.15 176.48 1qso h GLN 110 N 0.00 0.34 -0.53 2.37 -0.00 -1.42 -2.82 115.11 113.04 1qso h GLN 110 Ca -0.00 -0.45 0.01 0.00 -0.00 0.00 0.00 58.65 58.21 1qso h GLN 110 Cb 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 27.48 27.62 1qso h GLN 110 CO 0.00 1.16 0.35 0.35 0.00 0.00 0.00 178.83 180.69 1qso h PHE 111 N 0.15 0.65 -0.75 3.99 3.57 -0.50 -0.54 116.94 123.51 1qso h PHE 111 Ca -0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1qso h PHE 111 Cb 1.77 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 40.26 1qso h PHE 111 CO 0.06 0.40 0.32 0.28 -2.23 0.00 0.00 178.31 177.15 1qso h VAL 112 N 0.70 1.25 -0.22 1.41 2.07 -1.48 0.01 116.25 119.98 1qso h VAL 112 Ca 0.20 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1qso h VAL 112 Cb -0.06 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1qso h VAL 112 CO -0.05 0.31 0.13 1.88 0.02 0.00 0.00 177.57 179.86 1qso h TYR 113 N 1.08 0.25 0.22 1.57 0.05 -1.07 0.52 116.97 119.59 1qso h TYR 113 Ca 0.25 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1qso h TYR 113 Cb 0.17 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1qso h TYR 113 CO 0.02 0.15 -0.11 -0.44 -1.05 0.00 0.00 178.16 176.73 1qso h ASP 114 N 0.27 -0.25 0.53 3.88 3.32 -0.66 -1.50 116.42 122.00 1qso h ASP 114 Ca 0.09 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1qso h ASP 114 Cb -0.01 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1qso h ASP 114 CO -0.04 -0.09 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.02 1qso h GLU 115 N -0.41 0.00 0.11 3.56 4.39 -0.93 -2.38 114.58 118.93 1qso h GLU 115 Ca -0.03 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.38 1qso h GLU 115 Cb 0.31 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1qso h GLU 115 CO 0.05 0.05 -1.18 0.00 -1.16 0.00 0.00 179.01 176.77 1qso h ALA 116 N 1.95 -0.01 -0.74 3.43 0.00 -0.60 -3.02 119.26 120.27 1qso h ALA 116 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1qso h ALA 116 Cb 0.33 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1qso h ALA 116 CO 0.01 0.65 0.37 -0.44 0.00 0.00 0.00 179.25 179.83 1qso h ASP 117 N 0.22 0.95 0.50 0.00 3.32 -0.78 -1.98 116.42 118.65 1qso h ASP 117 Ca -0.18 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 1qso h ASP 117 Cb 1.87 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 1qso h ASP 117 CO 0.23 0.79 -0.56 0.11 -1.72 0.00 0.00 179.24 178.09 1qso h LYS 118 N 1.05 0.06 0.00 3.56 1.57 -1.55 -3.02 116.57 118.24 1qso h LYS 118 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1qso h LYS 118 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1qso h LYS 118 CO -0.03 0.60 0.00 -0.07 -0.57 0.00 0.00 179.45 179.38 1qso h LEU 119 N 0.05 0.00 0.00 2.94 4.07 -1.32 -3.47 115.31 117.58 1qso h LEU 119 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1qso h LEU 119 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1qso h LEU 119 CO 0.08 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.05 1qso n GLY 120 N 1.16 0.69 2.36 0.83 0.00 -0.99 -4.98 105.19 104.25 1qso n GLY 120 Ca 0.05 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 1.21 0.29 2.61 -2.24 -0.78 -4.79 114.28 107.97 1qso n THR 121 Ca 0.00 -4.78 0.18 0.00 -2.27 0.00 0.00 64.05 57.18 1qso n THR 121 Cb 0.00 -1.93 0.85 0.00 -2.10 0.00 0.00 70.33 67.15 1qso n THR 121 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qso h PRO 122 N 3.99 0.00 -6.08 -0.78 0.13 -1.83 -3.40 132.00 124.02 1qso h PRO 122 Ca 0.14 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.76 1qso h PRO 122 Cb 0.74 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.83 1qso h PRO 122 CO 0.69 0.02 1.30 0.45 -0.23 0.00 0.00 178.00 180.23 1qso s SER 123 N -5.60 5.48 -0.06 1.44 0.15 -1.26 -4.85 113.70 109.01 1qso s SER 123 Ca -0.01 0.39 0.02 0.00 0.70 0.00 0.00 55.95 57.05 1qso s SER 123 Cb 0.11 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1qso s SER 123 CO 0.51 -2.20 -0.10 -0.69 1.20 0.00 0.00 173.24 171.96 1qso s VAL 124 N 8.31 3.44 0.11 4.45 1.01 -1.26 -0.47 120.40 135.99 1qso s VAL 124 Ca 0.65 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 1qso s VAL 124 Cb -0.13 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.89 1qso s VAL 124 CO 0.22 0.59 0.35 -0.72 0.00 0.00 0.00 175.10 175.55 1qso s TYR 125 N -0.78 -0.13 0.32 5.22 -0.85 -0.30 -4.98 117.35 115.85 1qso s TYR 125 Ca 0.12 -0.18 -0.12 0.00 -0.52 0.00 0.00 57.07 56.37 1qso s TYR 125 Cb -0.11 0.18 0.05 0.00 0.38 0.00 0.00 41.96 42.46 1qso s TYR 125 CO 0.01 -0.65 0.63 -2.67 -1.52 0.00 0.00 175.55 171.36 1qso n TRP 126 N -0.09 -2.09 -3.66 -3.49 2.14 -1.26 -1.08 117.44 107.91 1qso n TRP 126 Ca -0.16 -1.50 -0.10 0.00 2.07 0.00 0.00 57.50 57.80 1qso n TRP 126 Cb 0.63 0.74 -0.05 0.00 -0.81 0.00 0.00 31.31 31.83 1qso n TRP 126 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1qso n THR 128 N -0.24 0.00 -2.70 0.00 -2.24 -1.26 -5.10 114.28 102.74 1qso n THR 128 Ca -0.15 -2.07 -0.39 0.00 -2.27 0.00 0.00 64.05 59.17 1qso n THR 128 Cb 0.64 1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 69.90 1qso n THR 128 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qso s ASP 129 N -3.11 7.45 0.33 3.42 1.01 -1.26 -4.93 116.67 119.57 1qso s ASP 129 Ca 0.34 1.97 0.03 0.00 0.71 0.00 0.00 52.55 55.60 1qso s ASP 129 Cb 0.01 -2.60 0.62 0.00 1.01 0.00 0.00 42.92 41.95 1qso s ASP 129 CO 0.24 0.01 1.94 -0.33 0.21 0.00 0.00 175.17 177.24 1qso h GLU 130 N 3.72 0.89 0.00 8.23 5.08 -2.06 -1.22 114.58 129.22 1qso h GLU 130 Ca -0.46 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1qso h GLU 130 Cb 1.20 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1qso h GLU 130 CO 0.67 0.59 -0.11 0.66 -1.00 0.00 0.00 179.01 179.82 1qso h SER 131 N 0.91 0.00 -2.18 1.42 4.64 -2.07 -3.40 113.55 112.87 1qso h SER 131 Ca 0.34 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.14 1qso h SER 131 Cb 0.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.22 1qso h SER 131 CO -0.12 0.11 1.25 0.21 -0.87 0.00 0.00 176.83 177.41 1qso s ASN 132 N -6.46 5.61 -0.08 4.97 3.84 -0.46 -4.80 114.94 117.56 1qso s ASN 132 Ca -0.04 0.13 0.19 0.00 0.21 0.00 0.00 52.86 53.35 1qso s ASN 132 Cb 0.15 -2.54 -0.25 0.00 -0.55 0.00 0.00 41.25 38.06 1qso s ASN 132 CO 0.61 -2.15 0.39 1.41 -2.79 0.00 0.00 177.10 174.57 1qso n HIS 133 N 11.45 0.25 -0.20 0.43 8.25 -1.26 -3.85 115.22 130.29 1qso n HIS 133 Ca 0.15 0.08 -0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1qso n HIS 133 Cb 0.51 -0.86 0.02 0.00 1.12 0.00 0.00 29.99 30.77 1qso n HIS 133 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1qso h ARG 134 N 0.00 0.96 -0.21 -0.41 2.43 -1.98 -2.94 114.38 112.23 1qso h ARG 134 Ca -0.28 -0.27 -0.20 0.00 -0.81 0.00 0.00 59.98 58.42 1qso h ARG 134 Cb 1.68 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 1qso h ARG 134 CO 0.02 0.93 -0.65 0.00 -1.51 0.00 0.00 179.97 178.76 1qso h ALA 135 N 0.99 0.45 0.00 2.80 0.00 -1.98 -3.08 119.26 118.43 1qso h ALA 135 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1qso h ALA 135 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qso h ALA 135 CO 0.02 0.69 0.00 1.04 0.00 0.00 0.00 179.25 181.00 1qso n GLN 136 N -3.96 0.01 -0.01 0.00 6.02 -1.16 -1.40 117.38 116.88 1qso n GLN 136 Ca -0.05 0.36 -0.04 0.00 -0.01 0.00 0.00 57.00 57.25 1qso n GLN 136 Cb 0.68 -1.53 0.18 0.00 1.02 0.00 0.00 30.24 30.59 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 0.55 0.05 1.08 -0.00 -1.42 -3.15 115.31 112.42 1qso h LEU 137 Ca 0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1qso h LEU 137 Cb 0.16 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1qso h LEU 137 CO 0.00 0.78 -0.02 0.25 -0.00 0.00 0.00 178.44 179.45 1qso h LEU 138 N 0.49 -0.06 -1.97 1.67 5.85 -1.42 -3.37 115.31 116.50 1qso h LEU 138 Ca 0.07 -0.01 0.50 0.00 0.84 0.00 0.00 57.88 59.29 1qso h LEU 138 Cb 0.66 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 1qso h LEU 138 CO 0.05 0.44 1.24 1.88 -0.34 0.00 0.00 178.44 181.71 1qso h TYR 139 N -1.02 0.02 0.00 1.25 0.99 -1.57 1.17 116.97 117.82 1qso h TYR 139 Ca -0.01 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1qso h TYR 139 Cb 0.06 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 37.77 1qso h TYR 139 CO 0.00 -0.01 -0.66 -0.39 -0.00 0.00 0.00 178.16 177.10 1qso h VAL 140 N 0.00 1.25 -0.09 -2.88 -1.51 -1.71 0.76 116.25 112.07 1qso h VAL 140 Ca 0.83 -2.45 -0.24 0.00 -1.23 0.00 0.00 66.70 63.61 1qso h VAL 140 Cb 3.30 2.41 0.01 0.00 -2.13 0.00 0.00 31.29 34.88 1qso h VAL 140 CO -0.03 0.65 -0.89 0.11 -1.23 0.00 0.00 177.57 176.18 1qso h LYS 141 N 0.00 0.75 -0.01 5.19 1.57 0.12 -3.33 116.57 120.86 1qso h LYS 141 Ca -0.01 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 1qso h LYS 141 Cb 1.36 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1qso h LYS 141 CO 0.09 1.28 -0.43 1.33 -0.57 0.00 0.00 179.45 181.14 1qso n VAL 142 N -3.90 0.00 -1.65 0.50 0.24 -0.90 -5.04 118.33 107.57 1qso n VAL 142 Ca -0.09 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1qso n VAL 142 Cb 0.80 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 34.42 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 1.35 3.49 3.40 7.63 0.00 0.26 -5.04 105.19 116.28 1qso n GLY 143 Ca 0.09 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.75 -0.54 -0.18 1.61 -0.85 -1.25 -4.42 117.35 109.98 1qso s TYR 144 Ca 0.00 1.29 -0.29 0.00 -0.52 0.00 0.00 57.07 57.55 1qso s TYR 144 Cb 0.00 0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.50 1qso s TYR 144 CO 0.00 -0.28 1.61 0.21 -1.52 0.00 0.00 175.55 175.57 1qso s LYS 145 N 0.14 3.90 0.14 -3.49 2.20 -1.26 -4.98 119.74 116.39 1qso s LYS 145 Ca -0.01 1.79 -0.30 0.00 -0.36 0.00 0.00 55.97 57.09 1qso s LYS 145 Cb -0.03 -4.01 -0.07 0.00 -1.51 0.00 0.00 37.83 32.21 1qso s LYS 145 CO 0.01 -1.17 1.06 0.00 -0.36 0.00 0.00 175.35 174.89 1qso s ALA 146 N 4.88 3.33 0.00 3.13 0.00 -1.26 -4.91 121.76 126.93 1qso s ALA 146 Ca 0.71 0.73 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1qso s ALA 146 Cb -0.27 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1qso s ALA 146 CO 0.28 -0.17 0.88 -0.35 0.00 0.00 0.00 175.76 176.40 1qso n PRO 147 N 2.67 0.52 -4.13 0.00 -0.04 -1.26 -4.82 135.00 127.95 1qso n PRO 147 Ca 0.03 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 1qso n PRO 147 Cb 0.47 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.79 2.61 -0.22 0.54 1.02 -1.26 -5.10 119.74 118.12 1qso s LYS 148 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.10 1qso s LYS 148 Cb 0.00 -2.53 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1qso s LYS 148 CO 0.00 0.51 -0.13 0.42 -0.92 0.00 0.00 175.35 175.23 1qso s ILE 149 N -1.51 2.38 0.17 2.17 1.01 -1.26 -5.11 121.20 119.06 1qso s ILE 149 Ca 0.28 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 1qso s ILE 149 Cb -0.11 -2.17 -0.08 0.00 0.01 0.00 0.00 42.46 40.11 1qso s ILE 149 CO 0.20 0.29 1.14 -0.22 0.00 0.00 0.00 174.94 176.34 1qso s LEU 150 N 1.26 4.47 -0.11 2.97 2.96 -1.26 -5.05 118.68 123.91 1qso s LEU 150 Ca -0.00 2.13 0.02 0.00 -0.22 0.00 0.00 54.13 56.06 1qso s LEU 150 Cb -0.16 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1qso s LEU 150 CO -0.08 -0.29 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.20 1qso s TYR 151 N -0.09 2.02 0.20 5.38 1.51 -1.26 -5.14 117.35 119.96 1qso s TYR 151 Ca 0.51 -0.96 0.09 0.00 -1.01 0.00 0.00 57.07 55.70 1qso s TYR 151 Cb -0.30 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1qso s TYR 151 CO 0.35 -0.49 -0.06 0.15 -1.11 0.00 0.00 175.55 174.39 1qso s LYS 152 N 1.00 2.18 0.39 -0.62 1.02 -1.26 -5.11 119.74 117.34 1qso s LYS 152 Ca -0.06 -1.26 -0.26 0.00 0.02 0.00 0.00 55.97 54.41 1qso s LYS 152 Cb -0.15 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.87 1qso s LYS 152 CO -0.02 0.43 1.23 0.50 -0.92 0.00 0.00 175.35 176.57 1qso s ARG 153 N -3.01 4.05 0.22 1.68 3.52 -1.26 -4.94 118.95 119.21 1qso s ARG 153 Ca 0.27 1.99 -0.32 0.00 -0.13 0.00 0.00 55.73 57.54 1qso s ARG 153 Cb -0.08 -2.75 -0.12 0.00 -1.56 0.00 0.00 34.95 30.43 1qso s ARG 153 CO 0.17 -0.37 1.66 1.63 -0.81 0.00 0.00 175.30 177.59 1qso n LYS 154 N 0.18 2.63 -0.19 5.12 5.02 -1.26 -1.35 118.16 128.32 1qso n LYS 154 Ca 0.04 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1qso n LYS 154 Cb 0.45 -2.76 0.00 0.00 -0.02 0.00 0.00 35.03 32.70 1qso n LYS 154 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qso n GLY 155 N 3.48 1.21 0.00 0.72 0.00 -1.26 -5.36 105.19 103.97 1qso n GLY 155 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1qso n GLY 155 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60