#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bql s VAL 2 N 0.00 5.14 0.06 0.58 1.01 -1.26 -1.46 120.40 124.47 1bql s VAL 2 Ca 0.00 0.52 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 1bql s VAL 2 Cb 0.00 -3.76 -0.17 0.00 0.00 0.00 0.00 36.38 32.45 1bql s VAL 2 CO 0.00 0.08 1.59 -0.26 0.00 0.00 0.00 175.10 176.50 1bql h PHE 3 N 8.22 -0.16 -0.55 5.22 0.04 -1.50 -3.48 116.94 124.74 1bql h PHE 3 Ca -0.31 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 1bql h PHE 3 Cb 1.15 0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.35 1bql h PHE 3 CO 0.75 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.87 1bql n GLY 4 N -0.83 -1.65 0.00 -1.45 0.00 -1.26 -4.63 105.19 95.38 1bql n GLY 4 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1bql n GLY 4 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bql n ARG 5 N 1.16 0.00 -0.27 1.61 0.63 -1.26 -1.33 116.66 117.20 1bql n ARG 5 Ca 0.00 0.06 0.16 0.00 -0.92 0.00 0.00 57.85 57.15 1bql n ARG 5 Cb 0.00 -0.35 0.44 0.00 0.45 0.00 0.00 32.46 32.99 1bql n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bql h GLU 7 N 0.55 0.06 0.27 0.00 4.81 -1.66 0.84 114.58 119.46 1bql h GLU 7 Ca 0.49 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1bql h GLU 7 Cb 1.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bql h GLU 7 CO -0.23 0.04 -0.13 1.25 -0.73 0.00 0.00 179.01 179.21 1bql h LEU 8 N 0.06 -0.31 -1.96 1.64 5.85 0.30 -2.61 115.31 118.29 1bql h LEU 8 Ca 0.10 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1bql h LEU 8 Cb 0.13 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1bql h LEU 8 CO -0.18 -0.01 0.37 0.00 -0.34 0.00 0.00 178.44 178.28 1bql h ALA 9 N 0.03 2.44 -0.24 1.25 0.00 -0.61 -0.40 119.26 121.72 1bql h ALA 9 Ca -0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1bql h ALA 9 Cb 0.44 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bql h ALA 9 CO 0.06 -0.58 -0.42 0.00 0.00 0.00 0.00 179.25 178.31 1bql h ALA 10 N 1.74 0.38 -0.13 0.00 0.00 -0.55 0.33 119.26 121.03 1bql h ALA 10 Ca 0.25 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1bql h ALA 10 Cb 0.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bql h ALA 10 CO -0.01 0.49 -0.35 0.00 0.00 0.00 0.00 179.25 179.38 1bql h ALA 11 N 0.64 1.17 0.03 0.00 0.00 -0.92 -1.70 119.26 118.49 1bql h ALA 11 Ca 0.02 -0.37 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 1bql h ALA 11 Cb 1.02 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1bql h ALA 11 CO 0.09 0.55 -1.01 0.52 0.00 0.00 0.00 179.25 179.40 1bql h MET 12 N 0.22 0.63 -0.27 0.00 2.86 -1.06 -1.02 114.93 116.29 1bql h MET 12 Ca 0.03 -0.72 0.06 0.00 -2.06 0.00 0.00 59.70 57.01 1bql h MET 12 Cb 0.73 0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.54 1bql h MET 12 CO 0.06 1.30 -0.17 -0.22 1.06 0.00 0.00 176.91 178.94 1bql h LYS 13 N 0.26 -0.14 -0.55 1.72 3.64 -0.80 -1.11 116.57 119.60 1bql h LYS 13 Ca -0.14 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1bql h LYS 13 Cb 1.69 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.44 1bql h LYS 13 CO 0.20 -0.09 -0.02 -0.09 -2.27 0.00 0.00 179.45 177.18 1bql h ARG 14 N -0.15 0.10 -0.95 1.90 1.12 -1.33 -0.93 114.38 114.14 1bql h ARG 14 Ca 0.14 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1bql h ARG 14 Cb 0.37 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.30 1bql h ARG 14 CO -0.36 0.07 0.00 0.72 -3.11 0.00 0.00 179.97 177.29 1bql n HIS 15 N -5.27 0.00 -1.00 2.20 8.25 -0.39 -4.83 115.22 114.18 1bql n HIS 15 Ca 0.07 -0.12 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1bql n HIS 15 Cb 0.31 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 1bql n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bql n GLY 16 N 0.19 0.32 0.03 -1.41 0.00 -0.35 -4.87 105.19 99.09 1bql n GLY 16 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1bql n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bql n LEU 17 N -0.01 0.15 -4.64 0.99 4.77 -1.07 -4.46 117.00 112.74 1bql n LEU 17 Ca -0.00 0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 56.08 1bql n LEU 17 Cb 0.19 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1bql n LEU 17 CO 0.00 -0.22 1.36 -0.62 -1.33 0.00 0.00 177.39 176.58 1bql s ASP 18 N -3.28 6.50 -1.21 -1.43 2.15 -1.26 -2.34 116.67 115.80 1bql s ASP 18 Ca 0.09 1.84 -0.06 0.00 0.43 0.00 0.00 52.55 54.86 1bql s ASP 18 Cb 0.12 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.22 1bql s ASP 18 CO 0.38 -1.13 0.73 0.59 -0.17 0.00 0.00 175.17 175.57 1bql n ASN 19 N 7.95 -5.47 -4.64 -0.34 3.02 0.10 -4.94 115.26 110.93 1bql n ASN 19 Ca 0.18 -0.33 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1bql n ASN 19 Cb 0.44 -4.20 -0.05 0.00 -0.61 0.00 0.00 39.78 35.36 1bql n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bql s TYR 20 N -3.16 3.30 0.00 3.10 5.04 -0.99 -4.43 117.35 120.20 1bql s TYR 20 Ca 0.36 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1bql s TYR 20 Cb -0.16 -3.01 0.00 0.00 0.35 0.00 0.00 41.96 39.14 1bql s TYR 20 CO 0.45 -0.39 0.00 -2.13 -1.34 0.00 0.00 175.55 172.13 1bql n ARG 21 N 5.95 0.00 -1.58 4.97 3.00 -1.26 -2.56 116.66 125.18 1bql n ARG 21 Ca 0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.63 1bql n ARG 21 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 32.46 33.01 1bql n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bql n GLY 22 N 0.00 5.96 3.21 5.14 0.00 -1.26 -4.97 105.19 113.26 1bql n GLY 22 Ca 0.00 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1bql n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bql s TYR 23 N -3.63 2.90 0.58 1.61 2.02 -1.06 -4.96 117.35 114.81 1bql s TYR 23 Ca 0.56 -1.37 -0.04 0.00 -0.37 0.00 0.00 57.07 55.85 1bql s TYR 23 Cb 0.45 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.02 1bql s TYR 23 CO 0.02 -0.70 0.86 -1.54 -1.57 0.00 0.00 175.55 172.62 1bql s SER 24 N 1.37 5.42 0.64 2.29 1.04 -1.26 0.01 113.70 123.21 1bql s SER 24 Ca 0.04 0.45 0.25 0.00 0.48 0.00 0.00 55.95 57.17 1bql s SER 24 Cb -0.14 -1.40 1.28 0.00 0.10 0.00 0.00 66.02 65.86 1bql s SER 24 CO -0.08 -1.12 1.73 -0.07 0.98 0.00 0.00 173.24 174.68 1bql h LEU 25 N -0.11 0.00 -0.63 2.42 3.38 -1.92 0.16 115.31 118.60 1bql h LEU 25 Ca -0.45 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1bql h LEU 25 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1bql h LEU 25 CO 0.58 0.00 0.39 1.23 0.09 0.00 0.00 178.44 180.73 1bql h GLY 26 N 0.00 0.90 0.54 0.83 0.00 -1.89 -2.68 103.07 100.77 1bql h GLY 26 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1bql h GLY 26 CO -0.00 0.25 -0.00 3.43 0.00 0.00 0.00 176.54 180.21 1bql h ASN 27 N 0.76 -0.01 -0.29 0.19 4.21 -0.86 -1.66 115.58 117.93 1bql h ASN 27 Ca 0.25 -0.45 0.06 0.00 1.21 0.00 0.00 56.30 57.37 1bql h ASN 27 Cb 0.02 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 1bql h ASN 27 CO -0.10 0.44 -0.05 -0.50 -1.29 0.00 0.00 177.43 175.93 1bql h TRP 28 N -0.47 -0.12 -0.23 1.19 4.06 -1.47 -0.27 115.95 118.65 1bql h TRP 28 Ca -0.00 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 1bql h TRP 28 Cb 0.46 0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 1bql h TRP 28 CO 0.08 -0.10 -0.25 0.28 -3.56 0.00 0.00 178.44 174.89 1bql h VAL 29 N 0.02 1.26 0.34 1.49 2.07 -1.58 -2.75 116.25 117.10 1bql h VAL 29 Ca 0.14 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1bql h VAL 29 Cb 0.20 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1bql h VAL 29 CO -0.28 0.39 -0.16 0.00 0.02 0.00 0.00 177.57 177.54 1bql h ALA 31 N 0.13 -0.63 -0.23 0.00 0.00 -1.04 0.11 119.26 117.60 1bql h ALA 31 Ca -0.05 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1bql h ALA 31 Cb 0.39 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1bql h ALA 31 CO 0.08 -0.92 0.29 0.00 0.00 0.00 0.00 179.25 178.69 1bql h ALA 32 N 0.01 1.82 0.15 0.00 0.00 -1.40 0.49 119.26 120.32 1bql h ALA 32 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1bql h ALA 32 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1bql h ALA 32 CO -0.26 -0.41 -0.07 -0.22 0.00 0.00 0.00 179.25 178.30 1bql h LYS 33 N 0.00 -0.19 0.00 0.00 1.63 0.53 -2.31 116.57 116.24 1bql h LYS 33 Ca 0.11 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1bql h LYS 33 Cb 0.69 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1bql h LYS 33 CO -0.00 0.06 0.00 1.19 -3.45 0.00 0.00 179.45 177.25 1bql n PHE 34 N -4.89 0.09 -0.04 1.91 3.72 -0.66 -0.20 117.46 117.39 1bql n PHE 34 Ca -0.05 0.03 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1bql n PHE 34 Cb 0.17 -0.55 -0.13 0.00 -0.94 0.00 0.00 39.48 38.03 1bql n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bql h GLU 35 N 0.00 0.15 0.00 -1.08 4.39 -0.22 -3.45 114.58 114.36 1bql h GLU 35 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1bql h GLU 35 Cb 0.44 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1bql h GLU 35 CO 0.00 1.12 -0.08 -1.13 -1.16 0.00 0.00 179.01 177.76 1bql n SER 36 N -4.01 0.42 -1.55 1.42 3.41 -1.18 -4.93 113.62 107.20 1bql n SER 36 Ca -0.30 -0.19 -0.15 0.00 -0.26 0.00 0.00 58.87 57.98 1bql n SER 36 Cb 0.85 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 65.23 1bql n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bql n ASN 37 N -0.50 -4.53 -0.61 4.04 4.05 0.73 -3.01 115.26 115.43 1bql n ASN 37 Ca 0.00 0.07 -0.08 0.00 0.45 0.00 0.00 54.58 55.02 1bql n ASN 37 Cb 0.00 -3.60 -0.03 0.00 1.23 0.00 0.00 39.78 37.38 1bql n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1bql n PHE 38 N -3.68 0.00 -3.05 1.20 3.72 -0.89 -4.75 117.46 110.02 1bql n PHE 38 Ca -0.17 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.80 1bql n PHE 38 Cb 0.60 -1.74 -0.06 0.00 -0.94 0.00 0.00 39.48 37.34 1bql n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bql s ASN 39 N -2.69 6.28 0.38 4.37 2.47 -1.16 -1.32 114.94 123.26 1bql s ASN 39 Ca 0.00 -0.64 0.20 0.00 0.42 0.00 0.00 52.86 52.84 1bql s ASN 39 Cb 0.00 -2.34 1.17 0.00 -1.45 0.00 0.00 41.25 38.63 1bql s ASN 39 CO 0.00 -0.98 1.69 0.77 -3.72 0.00 0.00 177.10 174.86 1bql h SER 40 N 9.08 0.43 -0.46 -4.21 4.64 -1.59 -0.17 113.55 121.26 1bql h SER 40 Ca -0.27 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1bql h SER 40 Cb 1.09 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1bql h SER 40 CO 0.99 -0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.88 1bql n GLN 41 N -4.82 2.08 -1.84 4.77 10.64 -1.26 -3.76 117.38 123.18 1bql n GLN 41 Ca 0.31 -1.68 -0.42 0.00 -1.83 0.00 0.00 57.00 53.38 1bql n GLN 41 Cb 1.06 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 29.05 1bql n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1bql s ALA 42 N -1.38 3.80 0.16 2.61 0.00 -0.08 -4.75 121.76 122.11 1bql s ALA 42 Ca 0.31 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.83 1bql s ALA 42 Cb 0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1bql s ALA 42 CO 0.21 -0.87 -0.16 0.99 0.00 0.00 0.00 175.76 175.93 1bql s THR 43 N 0.69 1.66 -0.23 0.00 2.01 -1.26 -0.47 115.64 118.03 1bql s THR 43 Ca 0.68 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 1bql s THR 43 Cb -0.46 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.34 1bql s THR 43 CO 0.37 -0.38 0.61 0.21 -0.69 0.00 0.00 174.62 174.74 1bql s ASN 44 N -2.68 -0.67 0.26 3.53 3.84 -1.02 -4.93 114.94 113.26 1bql s ASN 44 Ca 0.14 1.25 -0.05 0.00 0.21 0.00 0.00 52.86 54.42 1bql s ASN 44 Cb -0.05 1.24 -0.05 0.00 -0.55 0.00 0.00 41.25 41.84 1bql s ASN 44 CO 0.05 -0.22 0.51 -0.13 -2.79 0.00 0.00 177.10 174.53 1bql s ARG 45 N 0.57 3.63 0.45 0.43 0.52 -1.26 0.48 118.95 123.77 1bql s ARG 45 Ca -0.02 -0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.21 1bql s ARG 45 Cb -0.05 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 1bql s ARG 45 CO -0.03 0.27 0.04 -0.80 0.02 0.00 0.00 175.30 174.80 1bql s ASN 46 N -3.02 4.05 0.00 0.23 0.01 0.19 -4.91 114.94 111.49 1bql s ASN 46 Ca 0.43 -1.45 0.06 0.00 -0.71 0.00 0.00 52.86 51.19 1bql s ASN 46 Cb -0.11 -0.03 0.34 0.00 0.41 0.00 0.00 41.25 41.86 1bql s ASN 46 CO 0.28 -0.63 0.73 0.41 -1.51 0.00 0.00 177.10 176.38 1bql n THR 47 N -1.13 0.00 -2.23 1.60 -1.04 -1.26 -3.66 114.28 106.56 1bql n THR 47 Ca -0.10 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.94 1bql n THR 47 Cb 0.67 -0.67 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 1bql n THR 47 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1bql n ASP 48 N -0.81 0.74 0.00 8.00 5.75 -1.26 -4.96 116.55 124.01 1bql n ASP 48 Ca 0.04 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 1bql n ASP 48 Cb 0.02 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 1bql n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bql n GLY 49 N 0.17 0.75 3.71 6.12 0.00 -1.24 -4.68 105.19 110.03 1bql n GLY 49 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1bql n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bql s SER 50 N -2.47 5.17 0.19 1.61 1.04 -1.26 -4.25 113.70 113.73 1bql s SER 50 Ca 0.00 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.38 1bql s SER 50 Cb 0.00 -1.28 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1bql s SER 50 CO 0.00 0.18 0.03 -0.89 0.98 0.00 0.00 173.24 173.54 1bql s THR 51 N -1.32 3.80 -0.07 2.02 2.01 -1.26 0.57 115.64 121.39 1bql s THR 51 Ca 0.26 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.76 1bql s THR 51 Cb -0.12 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1bql s THR 51 CO 0.19 -0.17 0.09 -1.81 -0.69 0.00 0.00 174.62 172.24 1bql s ASP 52 N -3.13 5.91 -0.07 3.53 1.01 0.18 -2.18 116.67 121.92 1bql s ASP 52 Ca 0.29 0.29 0.05 0.00 0.71 0.00 0.00 52.55 53.89 1bql s ASP 52 Cb -0.09 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1bql s ASP 52 CO 0.20 0.35 -0.22 -0.31 0.21 0.00 0.00 175.17 175.40 1bql s TYR 53 N -1.06 2.54 0.00 4.23 1.51 -0.43 -2.45 117.35 121.70 1bql s TYR 53 Ca 0.18 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1bql s TYR 53 Cb -0.12 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1bql s TYR 53 CO 0.07 -0.19 0.00 0.41 -1.11 0.00 0.00 175.55 174.73 1bql n GLY 54 N 3.02 -0.20 0.27 0.71 0.00 0.37 -0.98 105.19 108.38 1bql n GLY 54 Ca -0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.78 1bql n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bql h VAL 55 N 0.00 1.03 -0.47 1.61 2.07 -1.70 -2.13 116.25 116.66 1bql h VAL 55 Ca 0.00 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 1bql h VAL 55 Cb 0.00 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 29.87 1bql h VAL 55 CO 0.00 0.14 0.09 0.18 0.02 0.00 0.00 177.57 178.00 1bql n LEU 56 N -4.72 4.81 -4.32 2.57 4.77 -1.26 -4.04 117.00 114.82 1bql n LEU 56 Ca 0.08 -3.27 -0.32 0.00 -0.03 0.00 0.00 56.01 52.47 1bql n LEU 56 Cb 0.14 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 1bql n LEU 56 CO 0.31 0.86 -0.44 0.00 -1.33 0.00 0.00 177.39 176.79 1bql n GLN 57 N -0.51 -1.08 -2.43 3.23 1.13 -0.15 -4.86 117.38 112.70 1bql n GLN 57 Ca 0.32 0.12 -0.42 0.00 -1.94 0.00 0.00 57.00 55.07 1bql n GLN 57 Cb 1.12 -3.74 -0.03 0.00 0.11 0.00 0.00 30.24 27.70 1bql n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bql s ILE 58 N -4.26 4.15 0.14 5.09 1.01 -0.64 -4.22 121.20 122.47 1bql s ILE 58 Ca 0.07 1.50 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 1bql s ILE 58 Cb -0.04 -3.97 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 1bql s ILE 58 CO 1.00 0.03 1.23 0.21 0.00 0.00 0.00 174.94 177.40 1bql s ASN 59 N 1.42 7.04 0.00 3.58 3.84 -1.26 -1.31 114.94 128.26 1bql s ASN 59 Ca 0.57 2.18 0.24 0.00 0.21 0.00 0.00 52.86 56.06 1bql s ASN 59 Cb -0.26 -2.60 1.32 0.00 -0.55 0.00 0.00 41.25 39.16 1bql s ASN 59 CO 0.24 -0.44 1.79 -1.54 -2.79 0.00 0.00 177.10 174.36 1bql n SER 60 N 3.16 0.00 0.01 -4.21 3.41 -0.93 -1.87 113.62 113.19 1bql n SER 60 Ca 0.07 -0.40 -0.01 0.00 -0.26 0.00 0.00 58.87 58.26 1bql n SER 60 Cb 0.45 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 1bql n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1bql h ARG 61 N 0.00 -0.08 0.12 4.33 9.65 -1.86 -3.40 114.38 123.13 1bql h ARG 61 Ca 0.00 0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 1bql h ARG 61 Cb 0.11 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1bql h ARG 61 CO 0.00 -0.05 -1.75 -1.49 2.80 0.00 0.00 179.97 179.47 1bql h TRP 62 N -0.49 0.44 0.02 2.20 4.06 -1.80 0.22 115.95 120.61 1bql h TRP 62 Ca -0.01 -0.32 -0.40 0.00 2.06 0.00 0.00 58.89 60.22 1bql h TRP 62 Cb 0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.15 1bql h TRP 62 CO 0.02 1.51 -2.36 0.91 -3.56 0.00 0.00 178.44 174.95 1bql n TRP 63 N -3.42 0.23 -4.54 0.49 7.02 -0.78 -0.09 117.44 116.34 1bql n TRP 63 Ca -0.23 0.06 -0.26 0.00 -1.02 0.00 0.00 57.50 56.05 1bql n TRP 63 Cb 1.05 -1.03 -0.09 0.00 -2.42 0.00 0.00 31.31 28.83 1bql n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1bql s ASN 65 N -3.62 3.85 0.00 0.00 2.47 -0.53 -4.37 114.94 112.74 1bql s ASN 65 Ca 0.24 -0.41 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1bql s ASN 65 Cb 0.04 -1.60 0.00 0.00 -1.45 0.00 0.00 41.25 38.24 1bql s ASN 65 CO 0.13 0.10 0.80 -0.90 -3.72 0.00 0.00 177.10 173.51 1bql n ASP 66 N 3.95 1.54 -1.21 -4.21 5.68 -1.26 -1.35 116.55 119.69 1bql n ASP 66 Ca -0.19 -1.62 -0.15 0.00 -0.50 0.00 0.00 54.79 52.34 1bql n ASP 66 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.44 1bql n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bql n GLY 67 N -0.31 1.25 0.00 6.12 0.00 -1.26 -4.71 105.19 106.28 1bql n GLY 67 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1bql n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1bql n LYS 68 N -2.55 0.00 -3.27 1.61 2.85 -1.26 -5.07 118.16 110.47 1bql n LYS 68 Ca -0.15 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.73 1bql n LYS 68 Cb 0.51 -0.26 -0.06 0.00 -0.65 0.00 0.00 35.03 34.57 1bql n LYS 68 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1bql s THR 69 N 0.00 5.08 0.66 0.58 2.01 -1.26 -4.95 115.64 117.77 1bql s THR 69 Ca 0.00 1.08 -0.13 0.00 0.31 0.00 0.00 61.69 62.95 1bql s THR 69 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1bql s THR 69 CO 0.00 0.37 1.06 -2.16 -0.69 0.00 0.00 174.62 173.19 1bql s PRO 70 N 0.27 3.05 -1.68 4.92 0.04 -1.26 -3.99 135.00 136.35 1bql s PRO 70 Ca 0.28 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1bql s PRO 70 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1bql s PRO 70 CO 0.13 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1bql n GLY 71 N -1.61 1.39 3.65 0.56 0.00 -1.26 -4.86 105.19 103.06 1bql n GLY 71 Ca 0.08 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1bql n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bql s SER 72 N -2.76 6.49 -0.12 1.61 1.04 -1.26 -4.54 113.70 114.16 1bql s SER 72 Ca 0.00 2.11 0.16 0.00 0.48 0.00 0.00 55.95 58.70 1bql s SER 72 Cb 0.00 -2.53 -0.23 0.00 0.10 0.00 0.00 66.02 63.36 1bql s SER 72 CO 0.00 -1.09 0.16 0.54 0.98 0.00 0.00 173.24 173.83 1bql n ARG 73 N 7.42 1.05 -3.95 4.02 1.74 0.78 -5.01 116.66 122.70 1bql n ARG 73 Ca 0.19 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.92 1bql n ARG 73 Cb 0.43 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.43 1bql n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1bql n ASN 74 N -2.46 -1.57 0.21 0.55 5.15 -0.87 -4.91 115.26 111.35 1bql n ASN 74 Ca -0.20 -1.07 0.14 0.00 -0.60 0.00 0.00 54.58 52.85 1bql n ASN 74 Cb 0.86 -2.82 0.73 0.00 -0.53 0.00 0.00 39.78 38.02 1bql n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bql h LEU 75 N -1.92 0.00 -1.67 1.20 3.38 -0.39 -0.06 115.31 115.85 1bql h LEU 75 Ca -0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1bql h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1bql h LEU 75 CO 0.59 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1bql n ASN 77 N 1.00 -0.68 -3.92 0.00 2.85 -0.04 -4.96 115.26 109.52 1bql n ASN 77 Ca 0.16 -1.02 -0.11 0.00 -0.11 0.00 0.00 54.58 53.51 1bql n ASN 77 Cb 0.52 -2.97 -0.12 0.00 1.24 0.00 0.00 39.78 38.46 1bql n ASN 77 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1bql s ILE 78 N -3.89 0.06 0.39 -1.44 1.10 -1.26 -5.06 121.20 111.10 1bql s ILE 78 Ca 0.10 -0.50 -0.27 0.00 -0.51 0.00 0.00 60.65 59.47 1bql s ILE 78 Cb -0.05 -0.19 -0.10 0.00 0.15 0.00 0.00 42.46 42.26 1bql s ILE 78 CO 0.90 -0.27 1.40 -2.84 -2.11 0.00 0.00 174.94 172.01 1bql s PRO 79 N -0.82 4.03 0.48 3.50 0.02 -1.26 -1.45 135.00 139.49 1bql s PRO 79 Ca -0.09 2.38 0.26 0.00 0.02 0.00 0.00 61.00 63.57 1bql s PRO 79 Cb -0.06 -2.87 1.14 0.00 0.02 0.00 0.00 34.50 32.74 1bql s PRO 79 CO -0.00 -0.52 1.92 0.00 -0.33 0.00 0.00 177.00 178.06 1bql h SER 81 N 0.00 0.00 0.59 0.00 0.02 -1.92 -0.68 113.55 111.56 1bql h SER 81 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1bql h SER 81 Cb 0.59 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1bql h SER 81 CO 0.02 0.04 -0.17 0.00 -1.14 0.00 0.00 176.83 175.58 1bql h ALA 82 N 1.96 1.17 -0.00 3.77 0.00 -1.81 -0.12 119.26 124.23 1bql h ALA 82 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bql h ALA 82 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1bql h ALA 82 CO 0.00 0.21 -0.03 1.28 0.00 0.00 0.00 179.25 180.71 1bql n LEU 83 N -3.53 0.22 -2.46 0.00 4.77 -0.26 -3.75 117.00 111.97 1bql n LEU 83 Ca -0.01 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.71 1bql n LEU 83 Cb 0.32 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1bql n LEU 83 CO 0.31 0.04 1.08 0.18 -1.33 0.00 0.00 177.39 177.68 1bql n LEU 84 N -1.03 6.76 -4.66 2.23 4.77 -0.06 -4.21 117.00 120.80 1bql n LEU 84 Ca 0.17 -4.66 -0.31 0.00 -0.03 0.00 0.00 56.01 51.19 1bql n LEU 84 Cb 0.22 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1bql n LEU 84 CO 0.21 1.77 -0.35 -0.55 -1.33 0.00 0.00 177.39 177.15 1bql s SER 85 N -2.16 4.89 0.00 -1.43 0.15 -1.25 -4.71 113.70 109.19 1bql s SER 85 Ca 0.56 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1bql s SER 85 Cb 0.46 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1bql s SER 85 CO -0.14 0.21 0.75 -1.20 1.20 0.00 0.00 173.24 174.05 1bql n SER 86 N 0.87 0.09 -3.89 5.45 7.64 -1.26 -4.40 113.62 118.11 1bql n SER 86 Ca -0.12 -1.58 -0.28 0.00 1.01 0.00 0.00 58.87 57.89 1bql n SER 86 Cb 0.52 -0.04 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 1bql n SER 86 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1bql s ASP 87 N -1.10 2.92 0.00 6.43 -4.77 -1.26 -5.04 116.67 113.84 1bql s ASP 87 Ca 0.00 -0.71 0.00 0.00 -3.30 0.00 0.00 52.55 48.54 1bql s ASP 87 Cb 0.00 -0.93 0.00 0.00 -1.09 0.00 0.00 42.92 40.90 1bql s ASP 87 CO 0.00 -0.19 0.00 2.30 0.70 0.00 0.00 175.17 177.98 1bql n ILE 88 N 4.86 0.00 0.26 2.11 -5.35 -1.26 -4.44 119.36 115.55 1bql n ILE 88 Ca -0.12 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.25 1bql n ILE 88 Cb 0.47 -0.09 -0.05 0.00 -1.74 0.00 0.00 39.64 38.23 1bql n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1bql h THR 89 N 0.00 0.00 -0.04 7.28 2.02 -1.94 -0.33 112.91 119.90 1bql h THR 89 Ca 0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1bql h THR 89 Cb 0.00 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1bql h THR 89 CO 0.00 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.91 1bql h ALA 90 N -1.33 1.95 -0.03 6.16 0.00 -1.83 -0.40 119.26 123.78 1bql h ALA 90 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bql h ALA 90 Cb 0.54 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bql h ALA 90 CO 0.12 0.04 0.00 1.15 0.00 0.00 0.00 179.25 180.56 1bql h THR 91 N 0.06 1.22 -0.34 0.00 2.02 -1.82 -1.23 112.91 112.82 1bql h THR 91 Ca 0.02 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.57 1bql h THR 91 Cb 0.01 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1bql h THR 91 CO -0.00 0.18 0.14 0.58 0.37 0.00 0.00 175.52 176.78 1bql h VAL 92 N -0.21 0.94 -0.15 3.16 2.07 0.34 0.46 116.25 122.85 1bql h VAL 92 Ca 0.01 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1bql h VAL 92 Cb 0.28 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1bql h VAL 92 CO 0.00 0.05 0.06 0.78 0.02 0.00 0.00 177.57 178.49 1bql h ASN 93 N 0.30 0.09 0.47 0.57 2.35 -1.07 0.21 115.58 118.50 1bql h ASN 93 Ca 0.15 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 1bql h ASN 93 Cb 0.09 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1bql h ASN 93 CO -0.13 0.07 -0.38 0.00 -1.65 0.00 0.00 177.43 175.34 1bql h ALA 95 N 1.62 1.36 -0.50 0.00 0.00 0.11 -1.78 119.26 120.07 1bql h ALA 95 Ca -0.00 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1bql h ALA 95 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bql h ALA 95 CO 0.05 0.47 0.32 0.87 0.00 0.00 0.00 179.25 180.96 1bql h LYS 96 N 0.71 0.63 0.00 0.00 1.79 -0.60 0.38 116.57 119.48 1bql h LYS 96 Ca 0.17 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1bql h LYS 96 Cb 0.19 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1bql h LYS 96 CO -0.01 0.42 0.00 1.17 -1.08 0.00 0.00 179.45 179.95 1bql n LYS 97 N -4.76 0.00 -0.04 3.15 3.00 -0.97 -1.16 118.16 117.37 1bql n LYS 97 Ca 0.03 0.01 -0.20 0.00 -0.00 0.00 0.00 58.31 58.14 1bql n LYS 97 Cb 0.03 -1.50 -0.13 0.00 0.00 0.00 0.00 35.03 33.43 1bql n LYS 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1bql h ILE 98 N 0.00 1.10 0.00 3.15 2.04 -0.39 -3.30 117.51 120.11 1bql h ILE 98 Ca 0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.54 1bql h ILE 98 Cb 0.49 2.65 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1bql h ILE 98 CO 0.00 0.56 -0.03 1.62 0.00 0.00 0.00 178.15 180.30 1bql h VAL 99 N -0.64 0.08 0.00 1.67 3.04 -0.82 -2.29 116.25 117.28 1bql h VAL 99 Ca -0.27 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 1bql h VAL 99 Cb 1.49 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1bql h VAL 99 CO -0.04 0.03 0.00 0.28 -1.01 0.00 0.00 177.57 176.83 1bql h SER 100 N 0.00 0.00 0.00 3.17 0.02 -1.27 -3.31 113.55 112.16 1bql h SER 100 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bql h SER 100 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1bql h SER 100 CO 0.00 0.00 0.00 -0.67 -1.14 0.00 0.00 176.83 175.02 1bql n ASP 101 N -2.67 2.60 -0.96 3.07 2.03 -0.86 -4.76 116.55 115.01 1bql n ASP 101 Ca 0.02 -1.67 -0.09 0.00 0.52 0.00 0.00 54.79 53.57 1bql n ASP 101 Cb 0.31 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 1bql n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bql n GLY 102 N 0.68 0.26 0.00 0.27 0.00 -1.26 -4.87 105.19 100.26 1bql n GLY 102 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1bql n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bql n ASN 103 N 0.33 0.00 0.00 1.61 5.15 -1.26 -5.14 115.26 115.95 1bql n ASN 103 Ca -0.10 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.78 1bql n ASN 103 Cb 0.51 0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.93 1bql n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bql n GLY 104 N 0.17 1.29 0.41 8.20 0.00 -1.25 -3.11 105.19 110.90 1bql n GLY 104 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 46.02 45.39 1bql n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bql n MET 105 N 6.06 1.51 0.32 1.61 2.81 -1.26 -3.87 117.12 124.31 1bql n MET 105 Ca 0.00 -0.77 0.20 0.00 -1.81 0.00 0.00 57.70 55.32 1bql n MET 105 Cb 0.00 -1.18 1.10 0.00 -0.71 0.00 0.00 33.22 32.43 1bql n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1bql h ASN 106 N 1.25 0.00 0.37 7.83 4.21 -1.97 -2.27 115.58 125.00 1bql h ASN 106 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1bql h ASN 106 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1bql h ASN 106 CO 0.00 0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.15 1bql h ALA 107 N 1.99 1.00 -2.24 -0.83 0.00 -1.81 -3.38 119.26 113.99 1bql h ALA 107 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 1bql h ALA 107 Cb 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.65 1bql h ALA 107 CO 0.00 0.00 -0.16 -1.58 0.00 0.00 0.00 179.25 177.51 1bql s TRP 108 N -3.93 3.15 0.13 0.00 0.51 -0.85 -4.95 118.94 113.00 1bql s TRP 108 Ca -0.03 -0.65 -0.29 0.00 -2.12 0.00 0.00 56.10 53.01 1bql s TRP 108 Cb 0.11 -3.24 -0.06 0.00 -0.81 0.00 0.00 33.47 29.47 1bql s TRP 108 CO 0.44 -0.87 1.58 0.28 -0.51 0.00 0.00 176.95 177.88 1bql h VAL 109 N 5.79 0.14 -0.60 4.03 2.07 -1.88 0.20 116.25 126.01 1bql h VAL 109 Ca -0.28 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1bql h VAL 109 Cb 1.10 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1bql h VAL 109 CO 0.89 0.00 0.07 0.00 0.02 0.00 0.00 177.57 178.56 1bql h ALA 110 N 0.12 0.99 -0.86 1.67 0.00 -1.92 0.89 119.26 120.15 1bql h ALA 110 Ca 0.08 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1bql h ALA 110 Cb 0.63 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1bql h ALA 110 CO -0.40 0.63 0.48 2.35 0.00 0.00 0.00 179.25 182.31 1bql h TRP 111 N 0.93 0.86 -0.08 0.00 7.01 -1.70 0.17 115.95 123.15 1bql h TRP 111 Ca 0.18 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1bql h TRP 111 Cb 0.44 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1bql h TRP 111 CO 0.03 0.30 -0.00 -0.09 -2.79 0.00 0.00 178.44 175.88 1bql h ARG 112 N 0.75 0.15 0.00 2.65 2.43 0.20 0.13 114.38 120.70 1bql h ARG 112 Ca 0.44 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.40 1bql h ARG 112 Cb 0.50 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1bql h ARG 112 CO -0.30 0.42 -0.78 -0.91 -1.51 0.00 0.00 179.97 176.89 1bql h ASN 113 N -0.13 0.00 0.00 -3.80 -0.26 -0.11 -3.31 115.58 107.97 1bql h ASN 113 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1bql h ASN 113 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1bql h ASN 113 CO 0.00 0.78 -0.05 0.54 -1.06 0.00 0.00 177.43 177.65 1bql n ARG 114 N -3.58 5.75 0.00 0.81 5.12 0.54 -4.86 116.66 120.44 1bql n ARG 114 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1bql n ARG 114 Cb 0.76 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.60 1bql n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bql s LYS 116 N -1.74 3.82 -1.50 0.00 2.20 0.33 -3.53 119.74 119.31 1bql s LYS 116 Ca 0.00 2.24 -0.04 0.00 -0.36 0.00 0.00 55.97 57.80 1bql s LYS 116 Cb 0.00 -2.68 0.02 0.00 -1.51 0.00 0.00 37.83 33.66 1bql s LYS 116 CO 0.00 -0.65 0.43 0.41 -0.36 0.00 0.00 175.35 175.18 1bql n GLY 117 N 0.63 -0.51 2.37 5.54 0.00 -1.26 -4.95 105.19 107.01 1bql n GLY 117 Ca 0.05 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1bql n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bql n THR 118 N -4.22 0.00 -2.71 2.61 -2.24 -1.23 -5.04 114.28 101.45 1bql n THR 118 Ca -0.12 -1.70 -0.43 0.00 -2.27 0.00 0.00 64.05 59.53 1bql n THR 118 Cb 0.62 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 1bql n THR 118 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bql s ASP 119 N -2.76 6.81 0.46 3.42 2.15 -1.26 -4.77 116.67 120.72 1bql s ASP 119 Ca 0.17 -2.36 0.31 0.00 0.43 0.00 0.00 52.55 51.11 1bql s ASP 119 Cb 0.01 -2.51 1.56 0.00 -0.30 0.00 0.00 42.92 41.68 1bql s ASP 119 CO 0.12 -1.11 1.95 -0.37 -0.17 0.00 0.00 175.17 175.59 1bql h VAL 120 N 5.59 0.00 0.00 1.11 -1.51 -1.91 -2.36 116.25 117.17 1bql h VAL 120 Ca 0.33 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1bql h VAL 120 Cb 0.91 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1bql h VAL 120 CO 1.36 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.37 1bql n GLN 121 N -2.67 0.08 -0.25 5.19 -0.06 -1.26 -2.33 117.38 116.08 1bql n GLN 121 Ca -0.01 0.15 0.13 0.00 -2.00 0.00 0.00 57.00 55.27 1bql n GLN 121 Cb 0.14 -1.61 0.41 0.00 -4.06 0.00 0.00 30.24 25.12 1bql n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bql h ALA 122 N 2.71 1.91 0.00 1.69 0.00 -1.79 -2.75 119.26 121.03 1bql h ALA 122 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bql h ALA 122 Cb 0.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bql h ALA 122 CO 0.00 -0.16 0.00 0.91 0.00 0.00 0.00 179.25 180.00 1bql n TRP 123 N -4.55 0.00 -0.51 0.00 7.02 -0.98 -1.05 117.44 117.37 1bql n TRP 123 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1bql n TRP 123 Cb 0.50 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1bql n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1bql n ILE 124 N -1.41 0.13 -1.65 -0.99 -6.64 -1.05 -4.85 119.36 102.90 1bql n ILE 124 Ca 0.00 -0.31 -0.48 0.00 -1.77 0.00 0.00 62.75 60.19 1bql n ILE 124 Cb 0.00 1.32 -0.05 0.00 -1.44 0.00 0.00 39.64 39.47 1bql n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 1bql n ARG 125 N -0.06 2.03 -0.06 6.28 0.63 -0.21 0.22 116.66 125.49 1bql n ARG 125 Ca 0.00 0.72 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 1bql n ARG 125 Cb 0.19 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.43 1bql n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bql n GLY 126 N 4.75 1.09 3.73 5.14 0.00 -1.26 -5.04 105.19 113.60 1bql n GLY 126 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1bql n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bql s ARG 128 N -0.03 3.66 0.00 0.00 1.04 -1.26 -5.06 118.95 117.30 1bql s ARG 128 Ca 0.46 1.12 0.00 0.00 -1.04 0.00 0.00 55.73 56.27 1bql s ARG 128 Cb -0.23 -2.09 0.00 0.00 -2.04 0.00 0.00 34.95 30.59 1bql s ARG 128 CO 0.29 -0.52 0.00 1.28 -0.04 0.00 0.00 175.30 176.31