#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqi s PRO 2 N 0.00 1.32 0.01 6.28 0.04 -1.26 -5.00 135.00 136.39 1bqi s PRO 2 Ca 0.00 0.66 -0.25 0.00 0.04 0.00 0.00 61.00 61.45 1bqi s PRO 2 Cb 0.00 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.53 1bqi s PRO 2 CO 0.00 -2.15 1.34 0.93 0.04 0.00 0.00 177.00 177.16 1bqi h GLU 3 N -1.48 -0.16 -6.44 4.56 5.08 -2.01 -3.45 114.58 110.69 1bqi h GLU 3 Ca -0.50 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.24 1bqi h GLU 3 Cb 1.29 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.45 1bqi h GLU 3 CO 0.57 0.17 -0.70 0.71 -1.00 0.00 0.00 179.01 178.76 1bqi s TYR 4 N -4.78 2.78 -0.19 4.33 1.51 -1.26 -4.19 117.35 115.55 1bqi s TYR 4 Ca -0.15 -0.15 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1bqi s TYR 4 Cb 0.03 -1.39 0.07 0.00 -0.11 0.00 0.00 41.96 40.56 1bqi s TYR 4 CO 0.62 0.48 0.43 0.08 -1.11 0.00 0.00 175.55 176.05 1bqi s VAL 5 N -1.50 -0.27 -0.32 0.71 1.01 -0.51 -4.98 120.40 114.52 1bqi s VAL 5 Ca 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1bqi s VAL 5 Cb -0.10 -0.66 0.13 0.00 0.00 0.00 0.00 36.38 35.75 1bqi s VAL 5 CO 0.16 0.05 0.24 -0.62 0.00 0.00 0.00 175.10 174.93 1bqi s ASP 6 N 1.89 2.44 0.58 3.32 -1.08 -1.26 -1.29 116.67 121.26 1bqi s ASP 6 Ca -0.07 -1.47 0.28 0.00 -0.52 0.00 0.00 52.55 50.77 1bqi s ASP 6 Cb -0.10 0.04 1.54 0.00 -1.46 0.00 0.00 42.92 42.94 1bqi s ASP 6 CO -0.13 -0.35 2.01 -0.50 0.52 0.00 0.00 175.17 176.71 1bqi h TRP 7 N 7.71 0.00 -0.01 -5.34 -0.00 -1.51 -1.65 115.95 115.14 1bqi h TRP 7 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.83 1bqi h TRP 7 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 30.18 1bqi h TRP 7 CO 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.78 1bqi h ARG 8 N 0.00 0.02 -0.33 0.49 3.08 -1.92 -1.10 114.38 114.62 1bqi h ARG 8 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1bqi h ARG 8 Cb 0.82 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1bqi h ARG 8 CO -0.00 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1bqi n GLN 9 N -4.53 1.75 -0.23 0.04 10.64 -0.62 -2.90 117.38 121.52 1bqi n GLN 9 Ca -0.03 -1.15 0.07 0.00 -1.83 0.00 0.00 57.00 54.05 1bqi n GLN 9 Cb 0.10 -1.25 0.19 0.00 -0.86 0.00 0.00 30.24 28.41 1bqi n GLN 9 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1bqi n LYS 10 N 0.44 2.90 -2.48 2.61 4.76 -0.42 -4.95 118.16 121.01 1bqi n LYS 10 Ca 0.11 -2.21 -0.21 0.00 -2.87 0.00 0.00 58.31 53.13 1bqi n LYS 10 Cb 0.27 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 32.09 1bqi n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bqi n GLY 11 N 0.54 -0.50 0.67 0.72 0.00 -1.14 -4.90 105.19 100.58 1bqi n GLY 11 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1bqi n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqi n ALA 12 N -2.21 2.19 -3.27 4.61 0.00 -1.20 -4.76 120.51 115.87 1bqi n ALA 12 Ca -0.23 -1.14 -0.13 0.00 0.00 0.00 0.00 53.44 51.94 1bqi n ALA 12 Cb 0.68 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.53 1bqi n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bqi s VAL 13 N -1.00 -0.02 0.51 0.00 0.11 -1.26 -4.05 120.40 114.68 1bqi s VAL 13 Ca 0.24 0.08 -0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1bqi s VAL 13 Cb 0.13 -0.14 0.01 0.00 -1.53 0.00 0.00 36.38 34.85 1bqi s VAL 13 CO 0.17 0.03 0.74 0.42 -3.33 0.00 0.00 175.10 173.13 1bqi s THR 14 N 0.48 3.57 0.86 5.04 -4.23 -1.26 -4.92 115.64 115.17 1bqi s THR 14 Ca -0.04 -0.45 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 1bqi s THR 14 Cb -0.05 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.39 1bqi s THR 14 CO -0.02 -0.26 0.05 -2.65 -0.54 0.00 0.00 174.62 171.19 1bqi n PRO 15 N -2.25 -0.02 -2.40 3.99 -0.02 -1.26 -4.89 135.00 128.15 1bqi n PRO 15 Ca 0.04 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1bqi n PRO 15 Cb 0.58 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1bqi n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bqi s VAL 16 N -2.12 4.10 0.42 -1.45 1.01 -1.26 -5.03 120.40 116.07 1bqi s VAL 16 Ca 0.54 1.44 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1bqi s VAL 16 Cb -0.27 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1bqi s VAL 16 CO 0.69 0.01 0.61 -0.54 0.00 0.00 0.00 175.10 175.87 1bqi s LYS 17 N 2.18 2.99 0.08 2.72 -0.14 -1.26 -4.78 119.74 121.53 1bqi s LYS 17 Ca 0.58 -0.77 0.10 0.00 -1.36 0.00 0.00 55.97 54.51 1bqi s LYS 17 Cb -0.27 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.20 1bqi s LYS 17 CO 0.24 -0.22 -0.26 1.21 -0.76 0.00 0.00 175.35 175.56 1bqi s ASN 18 N -4.24 3.10 -0.01 2.83 3.84 -1.26 -3.11 114.94 116.08 1bqi s ASN 18 Ca 0.49 -0.65 0.18 0.00 0.21 0.00 0.00 52.86 53.09 1bqi s ASN 18 Cb -0.10 -0.24 -0.24 0.00 -0.55 0.00 0.00 41.25 40.12 1bqi s ASN 18 CO 0.35 0.20 0.57 0.00 -2.79 0.00 0.00 177.10 175.44 1bqi n GLN 19 N 1.40 0.80 -0.61 0.43 10.64 -0.89 -4.94 117.38 124.21 1bqi n GLN 19 Ca -0.18 -0.09 0.08 0.00 -1.83 0.00 0.00 57.00 54.99 1bqi n GLN 19 Cb 0.53 -1.40 -0.02 0.00 -0.86 0.00 0.00 30.24 28.49 1bqi n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bqi n GLY 20 N 1.44 -1.69 0.46 2.61 0.00 -1.26 -3.70 105.19 103.05 1bqi n GLY 20 Ca -0.00 -1.20 0.24 0.00 0.00 0.00 0.00 46.02 45.06 1bqi n GLY 20 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1bqi h SER 21 N -0.56 0.00 -3.62 1.61 0.02 -1.99 -3.43 113.55 105.58 1bqi h SER 21 Ca 0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.44 1bqi h SER 21 Cb 0.56 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.16 1bqi h SER 21 CO 0.00 0.00 0.73 0.00 -1.14 0.00 0.00 176.83 176.42 1bqi n GLY 23 N 1.51 3.97 0.16 0.00 0.00 -0.45 -4.43 105.19 105.94 1bqi n GLY 23 Ca 0.04 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.65 1bqi n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bqi n SER 24 N 2.53 0.71 -0.20 1.61 3.41 -1.26 -2.57 113.62 117.85 1bqi n SER 24 Ca 0.59 -0.64 -0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1bqi n SER 24 Cb 0.52 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1bqi n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bqi h TRP 26 N 0.00 0.37 0.28 0.00 5.08 -1.82 0.37 115.95 120.22 1bqi h TRP 26 Ca 0.18 0.04 -0.01 0.00 1.08 0.00 0.00 58.89 60.18 1bqi h TRP 26 Cb 0.31 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 1bqi h TRP 26 CO -0.45 -0.08 -0.13 0.00 -1.28 0.00 0.00 178.44 176.50 1bqi h ALA 27 N 1.64 -0.38 -0.89 0.11 0.00 -0.37 -0.15 119.26 119.22 1bqi h ALA 27 Ca 0.45 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1bqi h ALA 27 Cb 0.80 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1bqi h ALA 27 CO -0.52 -0.61 0.57 0.74 0.00 0.00 0.00 179.25 179.43 1bqi h PHE 28 N -0.57 0.76 0.47 0.00 -1.00 -0.84 0.83 116.94 116.59 1bqi h PHE 28 Ca -0.04 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1bqi h PHE 28 Cb 0.42 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1bqi h PHE 28 CO -0.01 0.27 -0.22 1.03 -1.61 0.00 0.00 178.31 177.76 1bqi h SER 29 N 0.63 -0.53 -0.47 2.17 0.87 -0.03 -2.94 113.55 113.26 1bqi h SER 29 Ca 0.45 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.98 1bqi h SER 29 Cb 0.80 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.87 1bqi h SER 29 CO -0.20 -0.15 0.32 0.00 -0.53 0.00 0.00 176.83 176.27 1bqi h ALA 30 N -0.71 1.93 -0.36 6.23 0.00 -0.38 -2.88 119.26 123.10 1bqi h ALA 30 Ca -0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1bqi h ALA 30 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1bqi h ALA 30 CO 0.11 -0.01 -0.41 0.28 0.00 0.00 0.00 179.25 179.21 1bqi h VAL 31 N 0.40 1.27 -0.57 0.00 2.07 -0.85 -2.71 116.25 115.87 1bqi h VAL 31 Ca 0.20 -1.58 0.04 0.00 0.82 0.00 0.00 66.70 66.18 1bqi h VAL 31 Cb 0.30 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1bqi h VAL 31 CO -0.05 0.53 0.38 0.58 0.02 0.00 0.00 177.57 179.02 1bqi h VAL 32 N 0.73 1.04 -0.09 2.57 2.07 -1.32 0.00 116.25 121.26 1bqi h VAL 32 Ca 0.05 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 67.19 1bqi h VAL 32 Cb 1.00 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1bqi h VAL 32 CO 0.10 0.11 -0.63 0.71 0.02 0.00 0.00 177.57 177.88 1bqi h THR 33 N 0.61 1.35 -0.18 2.57 1.35 -1.54 -2.24 112.91 114.82 1bqi h THR 33 Ca 0.24 -1.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.15 1bqi h THR 33 Cb 0.17 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 1bqi h THR 33 CO -0.07 0.59 0.10 0.40 -0.25 0.00 0.00 175.52 176.30 1bqi h ILE 34 N 0.20 1.09 -0.85 6.82 2.04 -1.06 0.22 117.51 125.97 1bqi h ILE 34 Ca -0.05 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.67 1bqi h ILE 34 Cb 1.29 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1bqi h ILE 34 CO 0.13 0.09 0.50 -0.33 0.00 0.00 0.00 178.15 178.54 1bqi h GLU 35 N 0.20 0.82 0.02 2.37 5.08 -1.05 -2.37 114.58 119.65 1bqi h GLU 35 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1bqi h GLU 35 Cb 0.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1bqi h GLU 35 CO -0.01 0.54 -0.01 0.78 -1.00 0.00 0.00 179.01 179.31 1bqi h GLY 36 N 0.84 -0.02 0.61 -3.84 0.00 -0.73 -2.88 103.07 97.04 1bqi h GLY 36 Ca 0.41 0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.81 1bqi h GLY 36 CO -0.24 -0.01 0.29 1.19 0.00 0.00 0.00 176.54 177.77 1bqi h ILE 37 N -0.48 0.90 -0.53 2.60 6.09 -0.31 -1.83 117.51 123.95 1bqi h ILE 37 Ca -0.00 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.29 1bqi h ILE 37 Cb 0.46 0.32 -0.03 0.00 0.47 0.00 0.00 36.82 38.05 1bqi h ILE 37 CO 0.00 0.10 0.29 0.40 -3.07 0.00 0.00 178.15 175.87 1bqi h ILE 38 N 0.53 1.18 -0.74 2.19 2.04 -1.49 -0.31 117.51 120.92 1bqi h ILE 38 Ca 0.28 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1bqi h ILE 38 Cb 0.23 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1bqi h ILE 38 CO -0.21 0.20 0.25 0.50 0.00 0.00 0.00 178.15 178.89 1bqi h LYS 39 N 0.71 1.13 -0.87 2.37 3.11 -1.32 0.76 116.57 122.47 1bqi h LYS 39 Ca 0.19 -0.23 0.01 0.00 -2.81 0.00 0.00 60.65 57.80 1bqi h LYS 39 Cb 0.06 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.08 1bqi h LYS 39 CO -0.03 0.95 0.57 0.82 -2.81 0.00 0.00 179.45 178.96 1bqi h ILE 40 N 1.08 1.22 0.00 2.00 2.04 -0.77 -2.65 117.51 120.43 1bqi h ILE 40 Ca 0.24 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1bqi h ILE 40 Cb 0.28 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1bqi h ILE 40 CO -0.01 0.22 -0.05 0.03 0.00 0.00 0.00 178.15 178.34 1bqi h ARG 41 N 1.18 0.00 0.32 2.37 2.47 -0.43 -3.44 114.38 116.85 1bqi h ARG 41 Ca 0.32 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 59.02 1bqi h ARG 41 Cb -0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1bqi h ARG 41 CO -0.07 0.00 -0.15 1.79 0.56 0.00 0.00 179.97 182.10 1bqi h THR 42 N -0.41 0.55 0.00 2.04 1.35 0.40 -3.49 112.91 113.34 1bqi h THR 42 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1bqi h THR 42 Cb 0.05 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 1bqi h THR 42 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1bqi n GLY 43 N 0.09 0.64 3.26 5.82 0.00 -1.00 -5.04 105.19 108.96 1bqi n GLY 43 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 1bqi n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bqi s ASN 44 N -0.34 2.64 -0.26 1.61 -0.87 -1.26 -5.00 114.94 111.47 1bqi s ASN 44 Ca 0.00 -0.44 -0.06 0.00 -1.57 0.00 0.00 52.86 50.79 1bqi s ASN 44 Cb 0.00 -0.28 -0.01 0.00 -0.02 0.00 0.00 41.25 40.94 1bqi s ASN 44 CO 0.00 0.26 0.05 -0.22 -2.57 0.00 0.00 177.10 174.62 1bqi s LEU 45 N -0.68 3.46 -0.02 0.60 2.96 -1.26 -3.67 118.68 120.07 1bqi s LEU 45 Ca 0.09 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.60 1bqi s LEU 45 Cb -0.09 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1bqi s LEU 45 CO -0.00 -0.08 -0.04 0.20 -1.32 0.00 0.00 176.35 175.10 1bqi s ASN 46 N 1.55 0.67 0.25 3.68 -0.87 -1.26 -5.11 114.94 113.84 1bqi s ASN 46 Ca 0.05 -0.09 -0.30 0.00 -1.57 0.00 0.00 52.86 50.95 1bqi s ASN 46 Cb -0.16 -0.19 -0.09 0.00 -0.02 0.00 0.00 41.25 40.79 1bqi s ASN 46 CO 0.02 0.01 1.22 -1.10 -2.57 0.00 0.00 177.10 174.68 1bqi s GLN 47 N 0.31 4.48 0.45 -0.60 -0.21 -1.26 -4.78 119.66 118.05 1bqi s GLN 47 Ca -0.03 1.97 0.07 0.00 0.02 0.00 0.00 55.36 57.39 1bqi s GLN 47 Cb -0.07 -3.18 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 1bqi s GLN 47 CO -0.00 -0.07 0.30 0.71 -2.12 0.00 0.00 175.29 174.11 1bqi s TYR 48 N -0.56 2.37 -0.39 0.91 2.02 -1.26 -1.07 117.35 119.36 1bqi s TYR 48 Ca 0.51 -0.63 -0.22 0.00 -0.37 0.00 0.00 57.07 56.35 1bqi s TYR 48 Cb -0.35 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 1bqi s TYR 48 CO 0.42 -0.09 0.74 0.45 -1.57 0.00 0.00 175.55 175.49 1bqi s SER 49 N -4.08 6.46 0.10 2.29 0.15 -0.26 -4.34 113.70 114.03 1bqi s SER 49 Ca 0.41 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.05 1bqi s SER 49 Cb -0.00 -2.37 -0.16 0.00 -1.71 0.00 0.00 66.02 61.78 1bqi s SER 49 CO 0.23 -0.75 1.29 -0.33 1.20 0.00 0.00 173.24 174.88 1bqi h GLU 50 N 8.65 0.75 -0.52 5.44 3.07 -1.89 -3.00 114.58 127.07 1bqi h GLU 50 Ca -0.25 -0.66 0.08 0.00 -0.50 0.00 0.00 59.36 58.03 1bqi h GLU 50 Cb 1.10 0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 1bqi h GLU 50 CO 0.90 1.26 0.35 0.37 -1.40 0.00 0.00 179.01 180.49 1bqi h GLN 51 N 0.49 0.37 -0.47 2.33 5.75 -1.85 -1.35 115.11 120.38 1bqi h GLN 51 Ca -0.07 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1bqi h GLN 51 Cb 1.47 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.92 1bqi h GLN 51 CO 0.17 0.25 0.16 1.49 -2.65 0.00 0.00 178.83 178.24 1bqi h GLU 52 N 0.39 0.73 0.33 1.69 4.81 -1.77 -0.31 114.58 120.44 1bqi h GLU 52 Ca 0.24 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1bqi h GLU 52 Cb 0.43 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1bqi h GLU 52 CO -0.06 0.68 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.68 1bqi h LEU 53 N 0.63 -0.37 -1.18 1.64 -0.00 -1.47 -0.70 115.31 113.85 1bqi h LEU 53 Ca 0.15 -0.17 0.41 0.00 -0.00 0.00 0.00 57.88 58.27 1bqi h LEU 53 Cb 0.25 0.10 -0.15 0.00 -0.00 0.00 0.00 40.66 40.86 1bqi h LEU 53 CO -0.01 0.02 0.69 0.25 -0.00 0.00 0.00 178.44 179.39 1bqi h LEU 54 N -0.83 0.33 0.05 1.67 5.85 -1.15 0.14 115.31 121.37 1bqi h LEU 54 Ca -0.04 0.19 -0.33 0.00 0.84 0.00 0.00 57.88 58.53 1bqi h LEU 54 Cb 0.52 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1bqi h LEU 54 CO 0.07 -0.26 -1.94 0.47 -0.34 0.00 0.00 178.44 176.45 1bqi n ASP 55 N -4.96 1.33 0.00 1.25 8.00 -0.14 -4.46 116.55 117.58 1bqi n ASP 55 Ca 0.36 0.26 0.10 0.00 0.71 0.00 0.00 54.79 56.22 1bqi n ASP 55 Cb 1.29 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 42.07 1bqi n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bqi s ASP 57 N -3.00 6.92 0.38 0.00 -1.08 -0.10 -4.89 116.67 114.89 1bqi s ASP 57 Ca 0.09 1.25 0.22 0.00 -0.52 0.00 0.00 52.55 53.59 1bqi s ASP 57 Cb 0.16 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.33 1bqi s ASP 57 CO 0.83 -0.86 1.50 0.08 0.52 0.00 0.00 175.17 177.24 1bqi h ARG 58 N 8.22 0.00 -0.00 4.34 0.11 -1.90 -3.30 114.38 121.85 1bqi h ARG 58 Ca -0.22 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1bqi h ARG 58 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1bqi h ARG 58 CO 1.01 0.06 -0.50 0.54 0.10 0.00 0.00 179.97 181.18 1bqi n ARG 59 N -3.05 0.37 -0.87 0.08 1.74 -1.26 -4.94 116.66 108.73 1bqi n ARG 59 Ca 0.03 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1bqi n ARG 59 Cb 0.56 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 1bqi n ARG 59 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1bqi n SER 60 N -1.10 0.00 -2.46 0.55 7.64 -1.25 -4.74 113.62 112.27 1bqi n SER 60 Ca 0.08 -0.94 -0.12 0.00 1.01 0.00 0.00 58.87 58.89 1bqi n SER 60 Cb 0.35 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1bqi n SER 60 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1bqi n TYR 61 N -1.02 2.02 0.00 1.43 4.01 -0.66 -5.00 117.16 117.95 1bqi n TYR 61 Ca 0.00 -2.27 0.00 0.00 -0.16 0.00 0.00 57.90 55.47 1bqi n TYR 61 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1bqi n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqi n GLY 62 N -0.61 3.13 0.09 2.72 0.00 -1.26 0.43 105.19 109.70 1bqi n GLY 62 Ca 0.25 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1bqi n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqi n ASN 64 N -0.39 5.24 -1.47 0.00 3.02 0.17 -1.34 115.26 120.49 1bqi n ASN 64 Ca 0.00 -3.71 0.18 0.00 -0.03 0.00 0.00 54.58 51.03 1bqi n ASN 64 Cb 0.04 -0.68 -0.09 0.00 -0.61 0.00 0.00 39.78 38.44 1bqi n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bqi n GLY 65 N -0.28 -3.19 0.86 7.41 0.00 -1.06 -4.39 105.19 104.54 1bqi n GLY 65 Ca 0.37 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 1bqi n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqi n GLY 66 N -4.37 1.31 3.16 -0.02 0.00 -1.26 -1.66 105.19 102.35 1bqi n GLY 66 Ca -0.08 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 1bqi n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bqi s TYR 67 N -5.76 3.49 0.48 1.61 1.51 -1.26 -4.75 117.35 112.66 1bqi s TYR 67 Ca 0.05 -2.17 0.25 0.00 -1.01 0.00 0.00 57.07 54.19 1bqi s TYR 67 Cb -0.01 -3.00 1.37 0.00 -0.11 0.00 0.00 41.96 40.22 1bqi s TYR 67 CO 0.02 -0.92 1.75 -1.35 -1.11 0.00 0.00 175.55 173.93 1bqi h PRO 68 N 8.11 0.00 0.00 -1.71 0.10 -1.98 0.30 132.00 136.82 1bqi h PRO 68 Ca -0.16 0.00 -0.08 0.00 0.10 0.00 0.00 66.00 65.86 1bqi h PRO 68 Cb 1.06 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 32.15 1bqi h PRO 68 CO 0.68 0.00 -0.44 0.11 0.10 0.00 0.00 178.00 178.46 1bqi h TRP 69 N 0.00 0.00 0.06 0.65 5.08 -1.94 -1.09 115.95 118.71 1bqi h TRP 69 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 1bqi h TRP 69 Cb 0.64 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.80 1bqi h TRP 69 CO 0.00 0.35 -0.68 0.66 -1.28 0.00 0.00 178.44 177.49 1bqi h SER 70 N 0.00 0.19 -0.96 0.11 4.64 -0.84 -2.39 113.55 114.30 1bqi h SER 70 Ca -0.01 -0.88 0.06 0.00 -0.47 0.00 0.00 61.79 60.49 1bqi h SER 70 Cb 1.27 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 1bqi h SER 70 CO 0.04 1.30 0.62 0.00 -0.87 0.00 0.00 176.83 177.91 1bqi h ALA 71 N -0.07 1.32 0.00 5.18 0.00 -1.52 0.57 119.26 124.74 1bqi h ALA 71 Ca -0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1bqi h ALA 71 Cb 1.35 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bqi h ALA 71 CO 0.01 0.42 -0.07 -0.07 0.00 0.00 0.00 179.25 179.54 1bqi h LEU 72 N 1.13 0.00 0.15 0.00 3.38 -1.28 -1.66 115.31 117.04 1bqi h LEU 72 Ca 0.41 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.13 1bqi h LEU 72 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 1bqi h LEU 72 CO -0.16 0.07 -1.07 -0.61 0.09 0.00 0.00 178.44 176.75 1bqi h GLN 73 N 0.00 0.46 -0.23 1.13 4.15 0.37 -3.29 115.11 117.69 1bqi h GLN 73 Ca -0.00 -0.70 0.06 0.00 0.77 0.00 0.00 58.65 58.78 1bqi h GLN 73 Cb 0.48 0.25 -0.07 0.00 0.21 0.00 0.00 27.48 28.34 1bqi h GLN 73 CO 0.01 1.32 -0.36 1.25 -1.93 0.00 0.00 178.83 179.11 1bqi h LEU 74 N -0.05 -1.16 0.00 -2.39 5.85 0.76 0.57 115.31 118.90 1bqi h LEU 74 Ca -0.18 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bqi h LEU 74 Cb 1.81 0.50 0.00 0.00 0.37 0.00 0.00 40.66 43.34 1bqi h LEU 74 CO 0.20 -0.37 0.00 0.52 -0.34 0.00 0.00 178.44 178.45 1bqi n VAL 75 N -5.42 0.00 -0.09 1.05 0.31 -0.77 -1.76 118.33 111.64 1bqi n VAL 75 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1bqi n VAL 75 Cb 0.34 -0.53 -0.10 0.00 -0.91 0.00 0.00 33.84 32.65 1bqi n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqi n ALA 76 N -0.68 1.58 -0.71 3.52 0.00 0.19 -1.74 120.51 122.68 1bqi n ALA 76 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1bqi n ALA 76 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1bqi n ALA 76 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bqi n GLN 77 N -2.95 0.00 0.00 0.00 7.27 -0.72 -4.66 117.38 116.32 1bqi n GLN 77 Ca -0.33 0.15 0.00 0.00 0.07 0.00 0.00 57.00 56.89 1bqi n GLN 77 Cb 0.91 -0.86 0.00 0.00 2.41 0.00 0.00 30.24 32.70 1bqi n GLN 77 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1bqi n TYR 78 N -0.94 0.00 -3.97 3.69 4.01 -1.07 -5.02 117.16 113.86 1bqi n TYR 78 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bqi n TYR 78 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1bqi n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqi n GLY 79 N 2.08 -0.82 3.13 2.72 0.00 -1.25 -4.72 105.19 106.32 1bqi n GLY 79 Ca 0.00 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 1bqi n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bqi s ILE 80 N -3.00 0.78 0.15 -0.61 1.10 0.11 -4.43 121.20 115.30 1bqi s ILE 80 Ca 0.00 -1.42 0.04 0.00 -0.51 0.00 0.00 60.65 58.76 1bqi s ILE 80 Cb 0.00 -1.08 -0.04 0.00 0.15 0.00 0.00 42.46 41.50 1bqi s ILE 80 CO 0.00 -0.48 0.17 -1.00 -2.11 0.00 0.00 174.94 171.52 1bqi s HIS 81 N -2.02 3.25 1.06 3.50 3.76 -1.26 -0.24 115.29 123.34 1bqi s HIS 81 Ca -0.01 0.03 -0.14 0.00 -0.15 0.00 0.00 55.06 54.80 1bqi s HIS 81 Cb -0.06 -1.57 0.16 0.00 1.11 0.00 0.00 32.58 32.22 1bqi s HIS 81 CO -0.00 0.52 0.62 0.66 -0.85 0.00 0.00 174.74 175.69 1bqi n TYR 82 N -0.30 -0.96 -0.02 1.40 4.01 -1.26 -1.10 117.16 118.93 1bqi n TYR 82 Ca -0.08 0.12 -0.17 0.00 -0.16 0.00 0.00 57.90 57.61 1bqi n TYR 82 Cb 0.54 -1.74 -0.09 0.00 -0.31 0.00 0.00 39.34 37.75 1bqi n TYR 82 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1bqi h ARG 83 N -2.12 0.59 -0.71 -0.72 2.43 -1.29 -2.95 114.38 109.60 1bqi h ARG 83 Ca -0.52 -0.52 -0.05 0.00 -0.81 0.00 0.00 59.98 58.08 1bqi h ARG 83 Cb 1.32 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.96 1bqi h ARG 83 CO 0.41 1.14 0.24 -0.91 -1.51 0.00 0.00 179.97 179.34 1bqi h ASN 84 N 0.22 1.03 -0.47 -3.80 4.21 -1.92 0.06 115.58 114.90 1bqi h ASN 84 Ca -0.05 -0.20 0.06 0.00 1.21 0.00 0.00 56.30 57.32 1bqi h ASN 84 Cb 1.29 -0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 38.17 1bqi h ASN 84 CO 0.13 0.95 0.16 0.74 -1.29 0.00 0.00 177.43 178.12 1bqi h THR 85 N 1.04 0.83 -2.10 2.81 2.02 -1.93 -3.29 112.91 112.30 1bqi h THR 85 Ca 0.23 -0.11 -0.55 0.00 0.77 0.00 0.00 66.41 66.75 1bqi h THR 85 Cb 0.28 0.48 -0.41 0.00 -1.74 0.00 0.00 68.15 66.76 1bqi h THR 85 CO -0.01 0.06 -0.92 0.00 0.37 0.00 0.00 175.52 175.02 1bqi n TYR 86 N -5.02 1.60 -0.88 3.16 4.19 -1.12 -5.03 117.16 114.06 1bqi n TYR 86 Ca 0.04 -3.86 -0.34 0.00 3.31 0.00 0.00 57.90 57.06 1bqi n TYR 86 Cb 0.19 -0.45 0.09 0.00 0.49 0.00 0.00 39.34 39.67 1bqi n TYR 86 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1bqi n PRO 87 N 0.63 -0.17 -2.96 2.98 -0.04 -0.01 -4.56 135.00 130.88 1bqi n PRO 87 Ca 0.26 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.28 1bqi n PRO 87 Cb 0.51 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1bqi n PRO 87 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1bqi s TYR 88 N -2.24 3.16 -0.10 0.54 5.04 -1.26 -4.75 117.35 117.73 1bqi s TYR 88 Ca 0.51 0.68 0.15 0.00 -2.44 0.00 0.00 57.07 55.96 1bqi s TYR 88 Cb -0.20 -3.30 -0.23 0.00 0.35 0.00 0.00 41.96 38.58 1bqi s TYR 88 CO 0.73 -0.64 0.46 0.39 -1.34 0.00 0.00 175.55 175.15 1bqi n GLU 89 N 6.30 0.65 -1.04 4.97 1.02 -1.26 -5.00 120.64 126.28 1bqi n GLU 89 Ca 0.03 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1bqi n GLU 89 Cb 0.48 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1bqi n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bqi n GLY 90 N 1.60 0.47 3.11 0.62 0.00 -1.26 -5.03 105.19 104.70 1bqi n GLY 90 Ca -0.22 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1bqi n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqi s VAL 91 N -2.00 0.11 -0.19 1.61 1.01 -1.26 -4.50 120.40 115.18 1bqi s VAL 91 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 1bqi s VAL 91 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1bqi s VAL 91 CO 0.00 -0.49 0.36 -1.58 0.00 0.00 0.00 175.10 173.39 1bqi s GLN 92 N -2.03 4.20 0.06 2.72 0.74 -1.26 -4.97 119.66 119.13 1bqi s GLN 92 Ca -0.10 0.17 0.04 0.00 0.05 0.00 0.00 55.36 55.52 1bqi s GLN 92 Cb -0.04 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1bqi s GLN 92 CO -0.02 0.05 -0.12 1.03 -0.55 0.00 0.00 175.29 175.69 1bqi s ARG 93 N 1.03 0.72 0.91 1.67 1.81 -1.26 -5.09 118.95 118.74 1bqi s ARG 93 Ca 0.18 -0.89 -0.14 0.00 -1.72 0.00 0.00 55.73 53.16 1bqi s ARG 93 Cb -0.14 -0.63 0.00 0.00 -0.45 0.00 0.00 34.95 33.73 1bqi s ARG 93 CO 0.07 0.13 0.30 2.48 -0.68 0.00 0.00 175.30 177.61 1bqi n TYR 94 N 1.32 -1.72 -1.62 -0.53 4.11 -1.26 -4.64 117.16 112.83 1bqi n TYR 94 Ca -0.22 0.23 -0.24 0.00 -0.00 0.00 0.00 57.90 57.67 1bqi n TYR 94 Cb 0.54 -1.77 -0.09 0.00 -0.00 0.00 0.00 39.34 38.02 1bqi n TYR 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1bqi n ARG 96 N 8.09 0.79 0.00 0.00 1.74 -1.26 -4.59 116.66 121.43 1bqi n ARG 96 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1bqi n ARG 96 Cb 0.46 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 1bqi n ARG 96 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1bqi n SER 97 N 1.15 0.00 -0.35 0.55 7.64 -1.26 -3.70 113.62 117.65 1bqi n SER 97 Ca 0.00 0.38 0.24 0.00 1.01 0.00 0.00 58.87 60.50 1bqi n SER 97 Cb 0.40 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.08 1bqi n SER 97 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1bqi h ARG 98 N 0.00 0.37 0.00 1.43 3.08 -1.83 0.11 114.38 117.54 1bqi h ARG 98 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1bqi h ARG 98 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1bqi h ARG 98 CO 0.00 0.25 0.00 -1.91 -1.07 0.00 0.00 179.97 177.24 1bqi n GLU 99 N -4.80 0.12 -0.01 0.04 2.13 -1.25 -1.66 120.64 115.22 1bqi n GLU 99 Ca 0.29 0.00 0.03 0.00 0.66 0.00 0.00 57.16 58.14 1bqi n GLU 99 Cb 0.94 -1.49 0.03 0.00 0.27 0.00 0.00 31.44 31.19 1bqi n GLU 99 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1bqi n LYS 100 N -0.99 -0.06 0.00 5.31 4.76 0.38 -5.12 118.16 122.44 1bqi n LYS 100 Ca 0.03 -0.88 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 1bqi n LYS 100 Cb 0.01 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1bqi n LYS 100 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bqi n GLY 101 N 0.29 -1.64 3.71 0.72 0.00 -0.66 -4.92 105.19 102.68 1bqi n GLY 101 Ca 0.03 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1bqi n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bqi s PRO 102 N 0.00 4.52 0.54 1.61 0.04 -1.26 -4.68 135.00 135.77 1bqi s PRO 102 Ca 0.00 1.29 -0.19 0.00 0.04 0.00 0.00 61.00 62.14 1bqi s PRO 102 Cb 0.00 -3.46 -0.08 0.00 0.04 0.00 0.00 34.50 30.99 1bqi s PRO 102 CO 0.00 -0.05 0.69 2.48 0.04 0.00 0.00 177.00 180.17 1bqi n TYR 103 N 3.96 -0.07 -0.04 0.56 0.18 -1.26 -4.94 117.16 115.55 1bqi n TYR 103 Ca 0.05 0.47 -0.13 0.00 1.88 0.00 0.00 57.90 60.17 1bqi n TYR 103 Cb 0.51 -2.04 -0.00 0.00 -0.38 0.00 0.00 39.34 37.43 1bqi n TYR 103 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1bqi h ALA 104 N 0.51 0.56 -2.90 -3.48 0.00 -0.95 -3.48 119.26 109.52 1bqi h ALA 104 Ca -0.46 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 53.94 1bqi h ALA 104 Cb 1.38 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1bqi h ALA 104 CO 0.50 0.69 0.25 0.00 0.00 0.00 0.00 179.25 180.68 1bqi s ALA 105 N -4.05 -1.59 -0.01 0.00 0.00 -0.79 -5.00 121.76 110.32 1bqi s ALA 105 Ca -0.09 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1bqi s ALA 105 Cb 0.11 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1bqi s ALA 105 CO 0.87 -0.80 0.10 0.21 0.00 0.00 0.00 175.76 176.15 1bqi s LYS 106 N -3.68 0.32 0.12 0.00 2.20 -1.26 0.04 119.74 117.48 1bqi s LYS 106 Ca 0.03 -0.21 0.07 0.00 -0.36 0.00 0.00 55.97 55.49 1bqi s LYS 106 Cb -0.02 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1bqi s LYS 106 CO -0.10 -0.07 -0.05 0.95 -0.36 0.00 0.00 175.35 175.72 1bqi s THR 107 N -0.83 3.59 0.38 3.43 -4.23 -0.71 -5.04 115.64 112.23 1bqi s THR 107 Ca -0.09 -1.26 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1bqi s THR 107 Cb -0.05 -2.72 0.12 0.00 1.34 0.00 0.00 72.50 71.19 1bqi s THR 107 CO 0.01 0.05 1.87 0.44 -0.54 0.00 0.00 174.62 176.44 1bqi h ASP 108 N 3.32 0.00 -5.60 3.99 5.19 -1.64 -3.38 116.42 118.30 1bqi h ASP 108 Ca -0.48 0.00 0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1bqi h ASP 108 Cb 1.18 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.63 1bqi h ASP 108 CO 0.55 0.32 0.72 -0.83 -3.12 0.00 0.00 179.24 176.89 1bqi s GLY 109 N -4.28 -0.03 0.26 2.75 0.00 -0.99 -4.93 107.32 100.10 1bqi s GLY 109 Ca -0.03 -0.10 0.10 0.00 0.00 0.00 0.00 44.72 44.69 1bqi s GLY 109 CO 0.71 3.39 -0.16 0.54 0.00 0.00 0.00 173.10 177.57 1bqi s VAL 110 N -2.17 2.17 0.10 1.40 0.11 -1.26 0.23 120.40 120.97 1bqi s VAL 110 Ca 0.24 -2.31 -0.21 0.00 -2.93 0.00 0.00 61.98 56.77 1bqi s VAL 110 Cb -0.01 -2.27 0.05 0.00 -1.53 0.00 0.00 36.38 32.63 1bqi s VAL 110 CO 0.02 -0.43 0.51 -0.13 -3.33 0.00 0.00 175.10 171.74 1bqi s ARG 111 N -3.58 1.12 -0.08 1.54 0.52 -0.12 -4.79 118.95 113.56 1bqi s ARG 111 Ca 0.28 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 1bqi s ARG 111 Cb -0.02 0.51 -0.01 0.00 0.52 0.00 0.00 34.95 35.94 1bqi s ARG 111 CO 0.12 -0.44 -0.18 -1.14 0.02 0.00 0.00 175.30 173.67 1bqi s GLN 112 N -3.24 2.87 0.04 3.54 0.74 -1.26 -1.49 119.66 120.86 1bqi s GLN 112 Ca -0.01 -0.78 -0.22 0.00 0.05 0.00 0.00 55.36 54.40 1bqi s GLN 112 Cb 0.00 -2.38 -0.06 0.00 1.10 0.00 0.00 33.01 31.67 1bqi s GLN 112 CO -0.08 0.36 0.64 0.08 -0.55 0.00 0.00 175.29 175.74 1bqi s VAL 113 N -0.07 4.78 -0.10 1.34 1.01 0.50 -4.99 120.40 122.87 1bqi s VAL 113 Ca -0.04 1.37 -0.35 0.00 0.00 0.00 0.00 61.98 62.95 1bqi s VAL 113 Cb -0.14 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 1bqi s VAL 113 CO 0.04 0.45 1.84 1.67 0.00 0.00 0.00 175.10 179.10 1bqi n GLN 114 N 2.42 2.00 -1.45 2.72 7.27 -1.26 -4.53 117.38 124.55 1bqi n GLN 114 Ca -0.07 0.73 -0.31 0.00 0.07 0.00 0.00 57.00 57.43 1bqi n GLN 114 Cb 0.51 -2.55 0.07 0.00 2.41 0.00 0.00 30.24 30.68 1bqi n GLN 114 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1bqi s PRO 115 N 3.77 2.49 -1.47 3.69 0.04 -1.26 -4.04 135.00 138.22 1bqi s PRO 115 Ca 0.93 0.97 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1bqi s PRO 115 Cb -0.76 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 31.91 1bqi s PRO 115 CO 0.53 -1.42 0.94 0.66 0.04 0.00 0.00 177.00 177.75 1bqi n TYR 116 N -3.35 -2.27 -3.36 0.56 4.01 -0.27 -4.95 117.16 107.53 1bqi n TYR 116 Ca 0.08 0.90 -0.15 0.00 -0.16 0.00 0.00 57.90 58.57 1bqi n TYR 116 Cb 0.54 -4.16 -0.08 0.00 -0.31 0.00 0.00 39.34 35.33 1bqi n TYR 116 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bqi s ASN 117 N -3.54 1.13 0.13 7.72 3.84 -1.26 -4.84 114.94 118.12 1bqi s ASN 117 Ca 0.51 -1.06 0.08 0.00 0.21 0.00 0.00 52.86 52.60 1bqi s ASN 117 Cb -0.25 0.68 0.43 0.00 -0.55 0.00 0.00 41.25 41.56 1bqi s ASN 117 CO 0.82 -0.32 1.21 1.67 -2.79 0.00 0.00 177.10 177.69 1bqi n GLN 118 N 4.82 0.05 0.03 0.43 7.27 -1.26 -2.47 117.38 126.25 1bqi n GLN 118 Ca 0.05 0.52 -0.21 0.00 0.07 0.00 0.00 57.00 57.43 1bqi n GLN 118 Cb 0.47 -1.72 -0.14 0.00 2.41 0.00 0.00 30.24 31.25 1bqi n GLN 118 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1bqi h GLY 119 N 0.00 0.31 0.93 1.69 0.00 -1.94 -3.18 103.07 100.88 1bqi h GLY 119 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1bqi h GLY 119 CO 0.00 0.70 0.12 0.00 0.00 0.00 0.00 176.54 177.36 1bqi h ALA 120 N 0.00 0.32 -0.06 3.60 0.00 -1.79 -1.78 119.26 119.56 1bqi h ALA 120 Ca -0.25 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1bqi h ALA 120 Cb 1.74 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1bqi h ALA 120 CO 0.10 -0.11 0.23 1.25 0.00 0.00 0.00 179.25 180.71 1bqi h LEU 121 N 0.27 0.00 0.06 0.00 5.85 -1.65 0.10 115.31 119.94 1bqi h LEU 121 Ca 0.09 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 1bqi h LEU 121 Cb 0.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1bqi h LEU 121 CO -0.01 0.00 -1.93 0.18 -0.34 0.00 0.00 178.44 176.34 1bqi n LEU 122 N -3.14 1.78 -0.16 2.25 4.77 -0.74 -2.79 117.00 118.97 1bqi n LEU 122 Ca -0.01 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.17 1bqi n LEU 122 Cb 0.30 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1bqi n LEU 122 CO 0.18 0.65 1.05 0.22 -1.33 0.00 0.00 177.39 178.16 1bqi h TYR 123 N 0.03 0.54 0.15 -1.77 3.20 -0.10 -2.30 116.97 116.72 1bqi h TYR 123 Ca -0.38 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.49 1bqi h TYR 123 Cb 2.03 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 40.13 1bqi h TYR 123 CO 0.04 0.31 -0.07 0.77 -1.64 0.00 0.00 178.16 177.57 1bqi h SER 124 N 0.58 -0.17 -0.82 -2.11 0.02 -1.24 -2.81 113.55 107.00 1bqi h SER 124 Ca 0.19 -0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 1bqi h SER 124 Cb 0.01 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1bqi h SER 124 CO -0.08 0.10 0.54 0.40 -1.14 0.00 0.00 176.83 176.65 1bqi h ILE 125 N -0.44 0.77 0.00 3.27 2.04 -1.38 0.35 117.51 122.13 1bqi h ILE 125 Ca -0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1bqi h ILE 125 Cb 0.35 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1bqi h ILE 125 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1bqi n ALA 126 N -2.50 2.04 -0.02 1.87 0.00 -0.88 -2.74 120.51 118.28 1bqi n ALA 126 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 1bqi n ALA 126 Cb 0.56 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1bqi n ALA 126 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bqi n ASN 127 N -0.57 0.51 -3.62 0.00 3.02 0.12 -5.03 115.26 109.70 1bqi n ASN 127 Ca 0.02 0.04 -0.08 0.00 -0.03 0.00 0.00 54.58 54.53 1bqi n ASN 127 Cb 0.01 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1bqi n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bqi s GLN 128 N -2.07 1.28 0.92 3.52 0.00 -1.11 -5.04 119.66 117.15 1bqi s GLN 128 Ca -0.06 -0.60 -0.10 0.00 -0.00 0.00 0.00 55.36 54.61 1bqi s GLN 128 Cb 0.02 0.51 0.15 0.00 0.00 0.00 0.00 33.01 33.69 1bqi s GLN 128 CO 0.07 -0.57 1.15 -2.14 0.00 0.00 0.00 175.29 173.80 1bqi s PRO 129 N -3.55 1.00 0.03 9.60 0.02 -1.26 -4.16 135.00 136.67 1bqi s PRO 129 Ca 0.07 1.56 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 1bqi s PRO 129 Cb -0.02 -1.73 -0.02 0.00 0.02 0.00 0.00 34.50 32.75 1bqi s PRO 129 CO -0.04 -2.65 -0.01 0.08 -0.33 0.00 0.00 177.00 174.05 1bqi s VAL 130 N -2.65 0.13 0.03 3.83 1.01 -0.86 -4.80 120.40 117.10 1bqi s VAL 130 Ca 0.67 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1bqi s VAL 130 Cb -0.23 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1bqi s VAL 130 CO 0.58 -0.59 0.95 -0.55 0.00 0.00 0.00 175.10 175.48 1bqi s SER 131 N -1.79 7.38 0.02 3.32 0.15 -0.08 -1.07 113.70 121.63 1bqi s SER 131 Ca -0.11 1.66 -0.02 0.00 0.70 0.00 0.00 55.95 58.18 1bqi s SER 131 Cb -0.06 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1bqi s SER 131 CO -0.03 -0.18 0.01 -0.69 1.20 0.00 0.00 173.24 173.55 1bqi s VAL 132 N 0.65 0.11 0.27 4.45 1.01 -0.31 -2.23 120.40 124.36 1bqi s VAL 132 Ca 0.49 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1bqi s VAL 132 Cb -0.21 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1bqi s VAL 132 CO 0.28 -0.51 -0.11 0.68 0.00 0.00 0.00 175.10 175.43 1bqi s VAL 133 N -1.65 2.91 0.04 2.92 -7.23 -1.24 -0.83 120.40 115.31 1bqi s VAL 133 Ca -0.14 -2.19 -0.01 0.00 -1.81 0.00 0.00 61.98 57.83 1bqi s VAL 133 Cb -0.08 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.32 1bqi s VAL 133 CO -0.01 -0.39 0.08 0.00 -0.31 0.00 0.00 175.10 174.48 1bqi n LEU 134 N -0.74 0.00 -4.25 1.32 -0.00 -0.99 -3.54 117.00 108.80 1bqi n LEU 134 Ca -0.06 -0.30 -0.33 0.00 -0.00 0.00 0.00 56.01 55.32 1bqi n LEU 134 Cb 0.60 0.41 -0.15 0.00 -0.00 0.00 0.00 43.42 44.28 1bqi n LEU 134 CO 0.39 -0.09 -0.48 -1.58 -0.00 0.00 0.00 177.39 175.63 1bqi s GLN 135 N -2.02 3.19 0.00 1.47 0.74 -0.69 -0.43 119.66 121.91 1bqi s GLN 135 Ca 0.02 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.68 1bqi s GLN 135 Cb -0.00 -2.64 0.00 0.00 1.10 0.00 0.00 33.01 31.47 1bqi s GLN 135 CO 0.02 -0.03 0.33 0.00 -0.55 0.00 0.00 175.29 175.05 1bqi n ALA 136 N 4.18 1.78 0.28 1.58 0.00 -1.26 -4.69 120.51 122.38 1bqi n ALA 136 Ca -0.19 -0.33 0.16 0.00 0.00 0.00 0.00 53.44 53.08 1bqi n ALA 136 Cb 0.51 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.74 1bqi n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqi h ALA 137 N 0.00 1.54 -2.29 0.00 0.00 -1.93 -3.39 119.26 113.19 1bqi h ALA 137 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1bqi h ALA 137 Cb 0.12 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bqi h ALA 137 CO 0.00 -0.43 0.17 0.20 0.00 0.00 0.00 179.25 179.19 1bqi s GLY 138 N -3.77 1.99 0.34 0.00 0.00 -1.26 -5.00 107.32 99.62 1bqi s GLY 138 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.59 1bqi s GLY 138 CO 0.33 0.10 1.98 0.50 0.00 0.00 0.00 173.10 176.00 1bqi h LYS 139 N 1.24 0.81 -0.13 2.90 1.79 -1.93 -2.33 116.57 118.92 1bqi h LYS 139 Ca -0.47 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1bqi h LYS 139 Cb 1.19 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 1bqi h LYS 139 CO 0.63 0.58 0.06 -0.44 -1.08 0.00 0.00 179.45 179.20 1bqi h ASP 140 N 0.82 0.16 -0.17 0.86 3.32 -1.94 0.21 116.42 119.69 1bqi h ASP 140 Ca 0.22 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1bqi h ASP 140 Cb -0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1bqi h ASP 140 CO -0.04 0.24 0.05 0.15 -1.72 0.00 0.00 179.24 177.91 1bqi h PHE 141 N 0.08 0.28 -0.97 4.55 3.57 -1.80 0.15 116.94 122.79 1bqi h PHE 141 Ca 0.04 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1bqi h PHE 141 Cb 0.12 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 1bqi h PHE 141 CO -0.03 0.39 0.62 1.96 -2.23 0.00 0.00 178.31 179.02 1bqi h GLN 142 N 0.09 1.09 -0.06 1.11 4.20 -1.34 -2.37 115.11 117.82 1bqi h GLN 142 Ca 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1bqi h GLN 142 Cb 0.25 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1bqi h GLN 142 CO -0.00 0.72 0.00 1.28 -0.67 0.00 0.00 178.83 180.16 1bqi n LEU 143 N -4.53 1.97 -4.27 1.46 4.77 0.72 -4.97 117.00 112.15 1bqi n LEU 143 Ca 0.15 -0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 55.09 1bqi n LEU 143 Cb 0.19 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1bqi n LEU 143 CO 0.32 0.35 -0.57 0.00 -1.33 0.00 0.00 177.39 176.16 1bqi n TYR 144 N 0.54 -2.34 -1.65 -1.77 9.36 0.50 -4.95 117.16 116.85 1bqi n TYR 144 Ca 0.17 0.18 -0.02 0.00 3.32 0.00 0.00 57.90 61.55 1bqi n TYR 144 Cb 0.42 -1.64 -0.02 0.00 -0.63 0.00 0.00 39.34 37.47 1bqi n TYR 144 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1bqi n ARG 145 N -0.53 0.00 0.00 2.98 0.63 -1.26 -4.05 116.66 114.43 1bqi n ARG 145 Ca 0.03 -0.29 0.00 0.00 -0.92 0.00 0.00 57.85 56.68 1bqi n ARG 145 Cb 0.57 0.28 0.00 0.00 0.45 0.00 0.00 32.46 33.76 1bqi n ARG 145 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bqi n GLY 146 N 0.00 3.82 0.00 5.14 0.00 -1.26 -4.70 105.19 108.18 1bqi n GLY 146 Ca -0.08 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1bqi n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bqi n GLY 147 N -1.38 -0.48 3.63 -0.02 0.00 -1.26 -4.84 105.19 100.84 1bqi n GLY 147 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 1bqi n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bqi s ILE 148 N -1.07 4.66 0.08 -0.61 1.01 -1.26 -4.36 121.20 119.66 1bqi s ILE 148 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 1bqi s ILE 148 Cb 0.00 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1bqi s ILE 148 CO 0.00 -0.33 1.08 0.12 0.00 0.00 0.00 174.94 175.80 1bqi s PHE 149 N 3.27 3.60 0.00 3.97 5.36 0.59 -4.87 117.98 129.90 1bqi s PHE 149 Ca 0.39 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 1bqi s PHE 149 Cb -0.13 -3.24 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 1bqi s PHE 149 CO 0.13 -0.52 0.00 1.33 -1.46 0.00 0.00 175.22 174.70 1bqi n VAL 150 N 3.31 0.00 -0.15 3.12 0.24 -1.26 -1.53 118.33 122.06 1bqi n VAL 150 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1bqi n VAL 150 Cb 0.48 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1bqi n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bqi n GLY 151 N 2.38 0.80 3.80 7.63 0.00 -1.26 -4.74 105.19 113.81 1bqi n GLY 151 Ca 0.00 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1bqi n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bqi s PRO 152 N -2.00 3.67 -0.18 1.61 0.04 -1.26 -4.98 135.00 131.91 1bqi s PRO 152 Ca 0.00 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.02 1bqi s PRO 152 Cb 0.00 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1bqi s PRO 152 CO 0.00 -0.52 1.00 0.00 0.04 0.00 0.00 177.00 177.51 1bqi n GLY 154 N 0.99 0.51 0.54 0.00 0.00 -1.26 -4.54 105.19 101.44 1bqi n GLY 154 Ca -0.11 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.48 1bqi n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bqi n ASN 155 N 0.00 0.85 -4.44 1.61 6.94 -1.26 -3.73 115.26 115.23 1bqi n ASN 155 Ca 0.00 -2.41 -0.44 0.00 -0.02 0.00 0.00 54.58 51.71 1bqi n ASN 155 Cb 0.00 -0.29 -0.01 0.00 -2.36 0.00 0.00 39.78 37.11 1bqi n ASN 155 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1bqi s LYS 156 N -0.95 3.89 0.20 -3.83 1.02 -1.26 -4.80 119.74 114.02 1bqi s LYS 156 Ca 0.16 -2.33 -0.30 0.00 0.02 0.00 0.00 55.97 53.52 1bqi s LYS 156 Cb 0.15 -4.94 -0.09 0.00 -0.52 0.00 0.00 37.83 32.43 1bqi s LYS 156 CO -0.02 -1.70 1.41 0.14 -0.92 0.00 0.00 175.35 174.26 1bqi s VAL 157 N 1.69 2.91 0.02 3.17 -7.23 -1.26 -4.40 120.40 115.30 1bqi s VAL 157 Ca 0.37 0.72 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1bqi s VAL 157 Cb -0.04 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1bqi s VAL 157 CO -0.04 0.10 0.00 -0.90 -0.31 0.00 0.00 175.10 173.94 1bqi n ASP 158 N 2.87 0.01 -4.74 4.85 5.68 0.43 -4.94 116.55 120.72 1bqi n ASP 158 Ca 0.08 0.03 -0.38 0.00 -0.50 0.00 0.00 54.79 54.02 1bqi n ASP 158 Cb 0.41 0.01 0.05 0.00 -1.14 0.00 0.00 41.12 40.46 1bqi n ASP 158 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1bqi n HIS 159 N -2.57 2.16 -4.90 2.11 -0.00 -1.18 -4.85 115.22 105.98 1bqi n HIS 159 Ca 0.00 0.43 -0.30 0.00 -0.00 0.00 0.00 57.72 57.84 1bqi n HIS 159 Cb 0.00 -2.33 -0.14 0.00 -0.00 0.00 0.00 29.99 27.52 1bqi n HIS 159 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bqi s ALA 160 N -1.32 2.33 0.33 1.57 0.00 -1.26 -2.35 121.76 121.06 1bqi s ALA 160 Ca 0.75 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1bqi s ALA 160 Cb -0.40 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.19 1bqi s ALA 160 CO 0.46 0.54 0.57 1.33 0.00 0.00 0.00 175.76 178.66 1bqi n VAL 161 N 1.82 0.00 -4.62 0.00 0.24 -0.01 -4.64 118.33 111.11 1bqi n VAL 161 Ca -0.17 -1.26 -0.29 0.00 -2.04 0.00 0.00 64.34 60.58 1bqi n VAL 161 Cb 0.52 0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 33.69 1bqi n VAL 161 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bqi s ALA 162 N -2.33 2.24 -0.31 2.33 0.00 -0.98 -1.16 121.76 121.55 1bqi s ALA 162 Ca 0.20 -1.34 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 1bqi s ALA 162 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1bqi s ALA 162 CO 0.15 0.51 0.14 0.00 0.00 0.00 0.00 175.76 176.56 1bqi s ALA 163 N -0.94 3.22 -0.51 0.00 0.00 -0.23 -0.56 121.76 122.73 1bqi s ALA 163 Ca 0.12 -1.45 0.14 0.00 0.00 0.00 0.00 51.96 50.77 1bqi s ALA 163 Cb -0.10 -2.35 0.42 0.00 0.00 0.00 0.00 23.12 21.10 1bqi s ALA 163 CO 0.04 -0.97 1.34 1.33 0.00 0.00 0.00 175.76 177.50 1bqi n VAL 164 N 4.95 1.69 0.00 0.00 0.24 -0.66 -2.02 118.33 122.54 1bqi n VAL 164 Ca -0.14 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 1bqi n VAL 164 Cb 0.48 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1bqi n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bqi n GLY 165 N -0.05 -0.20 3.83 7.63 0.00 -1.18 -1.06 105.19 114.16 1bqi n GLY 165 Ca 0.17 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.93 1bqi n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bqi s TYR 166 N -2.00 -0.17 0.25 1.61 -0.85 -0.41 0.10 117.35 115.89 1bqi s TYR 166 Ca 0.00 -0.25 -0.05 0.00 -0.52 0.00 0.00 57.07 56.25 1bqi s TYR 166 Cb 0.00 0.69 0.02 0.00 0.38 0.00 0.00 41.96 43.05 1bqi s TYR 166 CO 0.00 -1.12 0.42 0.41 -1.52 0.00 0.00 175.55 173.74 1bqi n GLY 167 N -0.47 2.00 0.39 5.49 0.00 -0.36 -1.43 105.19 110.81 1bqi n GLY 167 Ca -0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.54 1bqi n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bqi h PRO 168 N 0.00 -0.02 -0.26 1.61 0.13 -2.00 -3.03 132.00 128.43 1bqi h PRO 168 Ca -0.20 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.72 1bqi h PRO 168 Cb 0.83 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.75 1bqi h PRO 168 CO 0.27 -0.01 -0.72 0.27 -0.23 0.00 0.00 178.00 177.58 1bqi n ASN 169 N -5.43 2.58 -3.44 1.44 6.94 -1.26 -4.87 115.26 111.21 1bqi n ASN 169 Ca 0.08 -3.45 -0.13 0.00 -0.02 0.00 0.00 54.58 51.07 1bqi n ASN 169 Cb 0.37 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 37.33 1bqi n ASN 169 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1bqi s TYR 170 N -2.96 -0.55 -0.18 -2.53 -0.85 -1.15 -2.89 117.35 106.24 1bqi s TYR 170 Ca 0.40 0.45 0.01 0.00 -0.52 0.00 0.00 57.07 57.41 1bqi s TYR 170 Cb 0.38 0.53 0.03 0.00 0.38 0.00 0.00 41.96 43.28 1bqi s TYR 170 CO -0.05 -0.81 -0.16 0.42 -1.52 0.00 0.00 175.55 173.44 1bqi s ILE 171 N -3.33 1.83 -0.10 -3.49 1.01 0.18 -1.23 121.20 116.07 1bqi s ILE 171 Ca -0.01 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 1bqi s ILE 171 Cb -0.01 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1bqi s ILE 171 CO -0.09 0.40 1.39 -0.22 0.00 0.00 0.00 174.94 176.42 1bqi s LEU 172 N 1.36 4.25 -0.07 2.97 2.96 0.29 -2.15 118.68 128.30 1bqi s LEU 172 Ca 0.03 1.92 0.06 0.00 -0.22 0.00 0.00 54.13 55.91 1bqi s LEU 172 Cb -0.14 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1bqi s LEU 172 CO -0.11 -0.79 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.26 1bqi s ILE 173 N 3.36 2.02 -0.33 6.68 -1.09 -0.09 -1.66 121.20 130.10 1bqi s ILE 173 Ca 0.61 -1.04 -0.12 0.00 -2.23 0.00 0.00 60.65 57.87 1bqi s ILE 173 Cb -0.27 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1bqi s ILE 173 CO 0.21 0.56 0.23 -0.75 -1.23 0.00 0.00 174.94 173.96 1bqi s LYS 174 N -0.05 3.53 0.22 2.79 2.20 0.27 -1.24 119.74 127.45 1bqi s LYS 174 Ca -0.07 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1bqi s LYS 174 Cb -0.14 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1bqi s LYS 174 CO 0.05 -0.42 0.01 1.21 -0.36 0.00 0.00 175.35 175.84 1bqi s ASN 175 N 1.72 4.73 -0.88 1.43 2.47 -1.10 -2.33 114.94 120.98 1bqi s ASN 175 Ca 0.06 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1bqi s ASN 175 Cb -0.17 -0.97 0.33 0.00 -1.45 0.00 0.00 41.25 38.99 1bqi s ASN 175 CO 0.10 0.04 1.65 -1.54 -3.72 0.00 0.00 177.10 173.64 1bqi n SER 176 N -0.52 6.69 -0.41 -4.21 3.41 -1.26 -4.61 113.62 112.71 1bqi n SER 176 Ca -0.08 -3.72 0.07 0.00 -0.26 0.00 0.00 58.87 54.88 1bqi n SER 176 Cb 0.57 -0.99 0.15 0.00 -0.26 0.00 0.00 64.21 63.67 1bqi n SER 176 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1bqi n TRP 177 N -0.20 0.00 -0.83 7.33 7.02 -1.24 -2.09 117.44 127.43 1bqi n TRP 177 Ca 0.45 -1.07 0.00 0.00 -1.02 0.00 0.00 57.50 55.85 1bqi n TRP 177 Cb 0.30 -0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1bqi n TRP 177 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1bqi n GLY 178 N -1.06 -2.72 0.92 6.99 0.00 -1.18 -4.57 105.19 103.57 1bqi n GLY 178 Ca 0.15 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1bqi n GLY 178 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bqi n THR 179 N -0.24 0.00 -1.36 2.61 -2.24 -1.26 -3.73 114.28 108.06 1bqi n THR 179 Ca 0.00 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 61.01 1bqi n THR 179 Cb 0.00 1.48 0.12 0.00 -2.10 0.00 0.00 70.33 69.83 1bqi n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqi n GLY 180 N 1.30 5.35 3.09 3.38 0.00 -1.26 -3.59 105.19 113.46 1bqi n GLY 180 Ca 0.13 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 1bqi n GLY 180 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bqi s TRP 181 N -3.58 -0.29 0.00 1.61 -0.00 -1.26 -4.99 118.94 110.44 1bqi s TRP 181 Ca 0.59 0.69 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 1bqi s TRP 181 Cb 0.48 0.07 0.00 0.00 -0.00 0.00 0.00 33.47 34.02 1bqi s TRP 181 CO 0.04 -0.17 0.00 0.41 -0.00 0.00 0.00 176.95 177.22 1bqi n GLY 182 N 3.53 0.98 3.53 5.86 0.00 -1.26 0.73 105.19 118.56 1bqi n GLY 182 Ca -0.18 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1bqi n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bqi s GLU 183 N 0.00 4.02 -1.41 1.61 2.02 0.12 -4.13 118.70 120.93 1bqi s GLU 183 Ca 0.00 -2.22 -0.09 0.00 0.02 0.00 0.00 54.97 52.68 1bqi s GLU 183 Cb 0.00 -5.33 0.04 0.00 0.10 0.00 0.00 34.13 28.94 1bqi s GLU 183 CO 0.00 -2.04 1.01 0.09 0.02 0.00 0.00 175.26 174.33 1bqi n ASN 184 N 7.22 -4.50 0.00 -0.19 5.03 -1.24 -1.13 115.26 120.45 1bqi n ASN 184 Ca 0.43 -0.70 0.00 0.00 0.87 0.00 0.00 54.58 55.18 1bqi n ASN 184 Cb 0.45 -4.39 0.00 0.00 -1.02 0.00 0.00 39.78 34.82 1bqi n ASN 184 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bqi n GLY 185 N -1.73 0.85 3.87 7.41 0.00 0.22 -4.62 105.19 111.19 1bqi n GLY 185 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1bqi n GLY 185 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bqi s TYR 186 N -2.45 3.23 -0.02 1.61 1.51 -0.28 -2.71 117.35 118.24 1bqi s TYR 186 Ca 0.00 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1bqi s TYR 186 Cb 0.00 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1bqi s TYR 186 CO 0.00 0.50 0.03 -1.50 -1.11 0.00 0.00 175.55 173.47 1bqi s ILE 187 N -2.02 -0.04 -0.56 2.71 2.07 -0.38 0.16 121.20 123.13 1bqi s ILE 187 Ca 0.33 0.15 -0.12 0.00 -1.41 0.00 0.00 60.65 59.60 1bqi s ILE 187 Cb -0.09 -0.08 0.14 0.00 0.13 0.00 0.00 42.46 42.57 1bqi s ILE 187 CO 0.26 0.06 0.48 -0.13 -1.91 0.00 0.00 174.94 173.70 1bqi s ARG 188 N 0.75 2.85 0.01 3.50 0.52 -1.26 -0.91 118.95 124.41 1bqi s ARG 188 Ca -0.06 -1.90 -0.24 0.00 -0.52 0.00 0.00 55.73 53.01 1bqi s ARG 188 Cb -0.09 -4.13 -0.05 0.00 0.52 0.00 0.00 34.95 31.20 1bqi s ARG 188 CO -0.02 -1.26 0.72 0.42 0.02 0.00 0.00 175.30 175.18 1bqi s ILE 189 N 1.17 4.83 0.42 1.52 1.01 -0.91 -0.30 121.20 128.94 1bqi s ILE 189 Ca 0.07 1.52 -0.25 0.00 0.00 0.00 0.00 60.65 61.99 1bqi s ILE 189 Cb -0.25 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1bqi s ILE 189 CO -0.01 0.35 1.20 -0.75 0.00 0.00 0.00 174.94 175.73 1bqi s LYS 190 N 0.10 3.92 0.43 2.79 2.20 -0.58 0.48 119.74 129.09 1bqi s LYS 190 Ca 0.37 1.90 0.03 0.00 -0.36 0.00 0.00 55.97 57.91 1bqi s LYS 190 Cb -0.19 -2.60 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 1bqi s LYS 190 CO 0.21 -0.45 0.07 -0.98 -0.36 0.00 0.00 175.35 173.84 1bqi s ARG 191 N -2.41 1.97 -0.54 4.03 1.70 -1.14 -4.49 118.95 118.06 1bqi s ARG 191 Ca 0.59 -2.20 -0.00 0.00 -0.47 0.00 0.00 55.73 53.65 1bqi s ARG 191 Cb -0.32 -1.01 0.00 0.00 -0.57 0.00 0.00 34.95 33.05 1bqi s ARG 191 CO 0.40 -0.37 0.01 0.41 -1.08 0.00 0.00 175.30 174.67 1bqi n GLY 192 N -0.99 0.12 1.19 3.88 0.00 -1.26 -4.70 105.19 103.43 1bqi n GLY 192 Ca -0.09 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.42 1bqi n GLY 192 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bqi n THR 193 N -3.98 0.91 0.00 2.61 -2.24 -1.26 -4.96 114.28 105.37 1bqi n THR 193 Ca -0.07 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1bqi n THR 193 Cb 0.56 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1bqi n THR 193 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqi n GLY 194 N 1.42 2.10 3.57 3.38 0.00 -1.26 -4.93 105.19 109.48 1bqi n GLY 194 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.72 1bqi n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bqi n ASN 195 N 0.57 2.53 0.31 1.61 2.85 -1.26 -4.82 115.26 117.04 1bqi n ASN 195 Ca 0.00 0.71 0.20 0.00 -0.11 0.00 0.00 54.58 55.37 1bqi n ASN 195 Cb 0.00 -1.26 0.98 0.00 1.24 0.00 0.00 39.78 40.74 1bqi n ASN 195 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1bqi h SER 196 N 10.38 0.00 1.60 1.20 4.64 -1.91 -2.57 113.55 126.89 1bqi h SER 196 Ca -0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1bqi h SER 196 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1bqi h SER 196 CO 0.99 0.02 -0.41 1.88 -0.87 0.00 0.00 176.83 178.44 1bqi h TYR 197 N 0.00 0.00 0.00 4.77 -1.99 -1.88 -3.37 116.97 114.50 1bqi h TYR 197 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1bqi h TYR 197 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1bqi h TYR 197 CO 0.00 0.09 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 1bqi n GLY 198 N 1.15 -2.45 3.71 3.88 0.00 -0.97 -1.79 105.19 108.72 1bqi n GLY 198 Ca 0.02 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1bqi n GLY 198 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bqi n VAL 199 N -1.22 1.62 -0.43 1.61 0.31 -1.26 -1.62 118.33 117.34 1bqi n VAL 199 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1bqi n VAL 199 Cb 0.00 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1bqi n VAL 199 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bqi n GLY 201 N -1.86 0.79 0.05 0.00 0.00 -0.64 -1.71 105.19 101.82 1bqi n GLY 201 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bqi n GLY 201 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bqi n LEU 202 N 0.00 0.00 -0.03 0.99 7.94 -0.63 -0.78 117.00 124.49 1bqi n LEU 202 Ca 0.00 0.08 0.04 0.00 -1.11 0.00 0.00 56.01 55.01 1bqi n LEU 202 Cb 0.00 -0.01 0.05 0.00 0.53 0.00 0.00 43.42 44.00 1bqi n LEU 202 CO 0.00 -0.08 0.52 -1.22 -1.11 0.00 0.00 177.39 175.50 1bqi n TYR 203 N -1.22 0.00 0.16 1.96 4.01 -0.74 -4.64 117.16 116.70 1bqi n TYR 203 Ca -0.00 -0.67 0.01 0.00 -0.16 0.00 0.00 57.90 57.08 1bqi n TYR 203 Cb 0.57 -0.09 0.27 0.00 -0.31 0.00 0.00 39.34 39.78 1bqi n TYR 203 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1bqi h THR 204 N 0.14 1.28 -1.50 -0.72 2.02 -1.13 -0.69 112.91 112.31 1bqi h THR 204 Ca 0.00 -1.73 0.11 0.00 0.77 0.00 0.00 66.41 65.56 1bqi h THR 204 Cb 0.71 1.95 -0.21 0.00 -1.74 0.00 0.00 68.15 68.86 1bqi h THR 204 CO 0.00 0.48 -0.07 -0.94 0.37 0.00 0.00 175.52 175.37 1bqi s SER 205 N -6.79 -1.04 -0.04 4.18 1.04 -1.26 -4.83 113.70 104.96 1bqi s SER 205 Ca -0.02 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1bqi s SER 205 Cb 0.13 2.09 0.03 0.00 0.10 0.00 0.00 66.02 68.37 1bqi s SER 205 CO 0.74 -0.20 -0.00 -0.44 0.98 0.00 0.00 173.24 174.32 1bqi s SER 206 N 2.80 0.70 0.09 7.02 0.01 -1.26 -3.65 113.70 119.41 1bqi s SER 206 Ca 0.00 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.25 1bqi s SER 206 Cb -0.11 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1bqi s SER 206 CO -0.19 -0.12 -0.08 -0.36 0.41 0.00 0.00 173.24 172.90 1bqi s PHE 207 N 1.22 0.93 -0.00 2.43 0.08 -0.95 -0.37 117.98 121.32 1bqi s PHE 207 Ca -0.07 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.09 1bqi s PHE 207 Cb -0.13 -0.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.82 1bqi s PHE 207 CO -0.02 -0.07 0.35 1.52 -0.10 0.00 0.00 175.22 176.91 1bqi s TYR 208 N -2.69 -0.22 0.15 0.36 1.13 -0.56 -0.90 117.35 114.62 1bqi s TYR 208 Ca 0.05 0.29 -0.28 0.00 -1.41 0.00 0.00 57.07 55.72 1bqi s TYR 208 Cb -0.01 0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.91 1bqi s TYR 208 CO -0.02 -0.45 0.87 -1.25 -2.51 0.00 0.00 175.55 172.20 1bqi s PRO 209 N -1.62 4.68 0.02 -3.49 0.04 -1.26 -0.94 135.00 132.42 1bqi s PRO 209 Ca -0.11 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1bqi s PRO 209 Cb -0.04 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1bqi s PRO 209 CO 0.03 0.40 0.47 0.08 0.04 0.00 0.00 177.00 178.02 1bqi s VAL 210 N -0.64 4.94 -0.33 -0.36 1.01 0.14 -4.94 120.40 120.22 1bqi s VAL 210 Ca 0.41 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.39 1bqi s VAL 210 Cb -0.24 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.52 1bqi s VAL 210 CO 0.28 0.55 0.42 -0.75 0.00 0.00 0.00 175.10 175.60 1bqi s LYS 211 N -0.97 0.52 0.00 2.72 2.47 -1.26 -1.67 119.74 121.56 1bqi s LYS 211 Ca 0.26 -0.24 0.01 0.00 -1.56 0.00 0.00 55.97 54.43 1bqi s LYS 211 Cb -0.18 -0.41 0.04 0.00 -1.46 0.00 0.00 37.83 35.83 1bqi s LYS 211 CO 0.15 -1.10 0.54 0.09 0.16 0.00 0.00 175.35 175.19