#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bql s ALA 2 N 0.00 3.43 0.46 3.14 0.00 -1.26 -1.67 121.76 125.86 2bql s ALA 2 Ca 0.00 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.18 2bql s ALA 2 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 2bql s ALA 2 CO 0.00 -1.21 1.05 -0.06 0.00 0.00 0.00 175.76 175.53 2bql s PHE 3 N 1.66 3.08 0.23 0.00 0.40 -0.54 -5.01 117.98 117.80 2bql s PHE 3 Ca 0.05 1.60 -0.12 0.00 -0.60 0.00 0.00 56.93 57.85 2bql s PHE 3 Cb -0.18 -3.09 -0.08 0.00 0.51 0.00 0.00 43.02 40.18 2bql s PHE 3 CO 0.09 -0.78 0.59 -1.21 0.70 0.00 0.00 175.22 174.61 2bql s GLU 4 N -2.98 3.90 0.12 0.44 2.02 -1.26 -4.89 118.70 116.06 2bql s GLU 4 Ca 0.64 0.43 -0.29 0.00 0.02 0.00 0.00 54.97 55.77 2bql s GLU 4 Cb -0.18 -2.68 -0.09 0.00 0.10 0.00 0.00 34.13 31.28 2bql s GLU 4 CO 0.23 0.33 1.48 -0.09 0.02 0.00 0.00 175.26 177.22 2bql h ARG 5 N 2.75 -0.24 -0.05 1.61 2.43 -1.96 -1.26 114.38 117.66 2bql h ARG 5 Ca -0.47 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.62 2bql h ARG 5 Cb 1.18 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2bql h ARG 5 CO 0.67 -0.16 -0.41 0.00 -1.51 0.00 0.00 179.97 178.56 2bql h GLU 7 N 0.09 0.85 -0.44 0.00 4.81 -1.86 -2.10 114.58 115.92 2bql h GLU 7 Ca 0.01 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 2bql h GLU 7 Cb 0.77 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2bql h GLU 7 CO 0.06 0.77 -0.01 1.25 -0.73 0.00 0.00 179.01 180.35 2bql h LEU 8 N 0.76 0.77 -0.90 1.64 5.85 -0.87 -2.58 115.31 119.99 2bql h LEU 8 Ca 0.18 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2bql h LEU 8 Cb 0.28 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2bql h LEU 8 CO -0.01 0.90 0.58 0.00 -0.34 0.00 0.00 178.44 179.57 2bql h ALA 9 N 0.90 1.19 -0.30 1.25 0.00 -0.98 -0.26 119.26 121.05 2bql h ALA 9 Ca 0.12 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2bql h ALA 9 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2bql h ALA 9 CO 0.03 0.43 -0.36 0.00 0.00 0.00 0.00 179.25 179.35 2bql h ARG 10 N 1.12 0.69 -0.46 0.00 3.08 -1.35 -1.87 114.38 115.58 2bql h ARG 10 Ca 0.36 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2bql h ARG 10 Cb 0.01 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2bql h ARG 10 CO -0.12 0.94 0.08 1.15 -1.07 0.00 0.00 179.97 180.95 2bql h THR 11 N 0.57 1.25 -0.42 2.04 2.02 -0.97 -0.86 112.91 116.53 2bql h THR 11 Ca 0.06 -0.89 -0.08 0.00 0.77 0.00 0.00 66.41 66.26 2bql h THR 11 Cb 0.88 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2bql h THR 11 CO 0.08 0.32 -0.07 -0.07 0.37 0.00 0.00 175.52 176.14 2bql h LEU 12 N 0.63 0.70 -0.16 2.58 3.38 -0.95 -2.16 115.31 119.33 2bql h LEU 12 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bql h LEU 12 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2bql h LEU 12 CO 0.01 0.81 0.06 0.50 0.09 0.00 0.00 178.44 179.91 2bql h LYS 13 N 0.66 0.24 -0.21 1.13 3.64 -0.98 -2.11 116.57 118.94 2bql h LYS 13 Ca 0.12 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2bql h LYS 13 Cb 0.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2bql h LYS 13 CO 0.03 0.32 0.14 -0.09 -2.27 0.00 0.00 179.45 177.58 2bql h ARG 14 N 0.10 0.14 -0.21 1.90 2.43 -0.96 -1.37 114.38 116.41 2bql h ARG 14 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2bql h ARG 14 Cb 0.17 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2bql h ARG 14 CO -0.00 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.83 2bql n LEU 15 N -4.50 1.30 -0.51 3.80 4.77 -0.83 -4.92 117.00 116.11 2bql n LEU 15 Ca 0.01 -0.62 -0.05 0.00 -0.03 0.00 0.00 56.01 55.33 2bql n LEU 15 Cb 0.18 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2bql n LEU 15 CO 0.35 0.31 -0.06 0.61 -1.33 0.00 0.00 177.39 177.27 2bql n GLY 16 N 0.94 0.24 0.13 -0.72 0.00 -0.52 -4.96 105.19 100.31 2bql n GLY 16 Ca 0.11 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2bql n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bql h MET 17 N 0.00 0.00 -5.86 1.61 2.86 -1.58 -3.40 114.93 108.55 2bql h MET 17 Ca -0.11 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.03 2bql h MET 17 Cb 0.99 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2bql h MET 17 CO 0.13 0.32 1.48 0.34 1.06 0.00 0.00 176.91 180.24 2bql s ASP 18 N -6.10 5.02 0.00 1.22 2.15 -1.26 -1.58 116.67 116.11 2bql s ASP 18 Ca 0.02 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.98 2bql s ASP 18 Cb 0.08 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2bql s ASP 18 CO 0.76 -2.45 0.00 0.61 -0.17 0.00 0.00 175.17 173.92 2bql n GLY 19 N 5.80 0.70 3.68 2.66 0.00 0.13 -4.89 105.19 113.28 2bql n GLY 19 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 2bql n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bql s TYR 20 N -2.04 2.06 -1.42 1.61 5.04 -0.62 -1.40 117.35 120.59 2bql s TYR 20 Ca 0.00 0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 54.59 2bql s TYR 20 Cb 0.00 -4.12 0.03 0.00 0.35 0.00 0.00 41.96 38.22 2bql s TYR 20 CO 0.00 -4.67 0.41 0.54 -1.34 0.00 0.00 175.55 170.50 2bql n ARG 21 N 6.05 -3.68 -1.00 4.97 5.12 -1.26 -1.28 116.66 125.57 2bql n ARG 21 Ca 0.18 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.83 2bql n ARG 21 Cb 0.39 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 2bql n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bql n GLY 22 N -1.25 0.46 3.58 -0.13 0.00 -0.50 -5.02 105.19 102.33 2bql n GLY 22 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2bql n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bql s ILE 23 N -1.93 5.28 0.79 -0.61 1.01 -0.40 -4.91 121.20 120.43 2bql s ILE 23 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 2bql s ILE 23 Cb 0.00 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.98 2bql s ILE 23 CO 0.00 0.21 1.09 -0.94 0.00 0.00 0.00 174.94 175.30 2bql s SER 24 N 1.75 4.41 0.21 3.58 1.04 -1.26 0.22 113.70 123.65 2bql s SER 24 Ca 0.07 1.76 -0.09 0.00 0.48 0.00 0.00 55.95 58.17 2bql s SER 24 Cb -0.16 -2.47 0.20 0.00 0.10 0.00 0.00 66.02 63.69 2bql s SER 24 CO 0.11 -2.09 1.86 0.25 0.98 0.00 0.00 173.24 174.35 2bql h LEU 25 N -1.16 0.78 -1.16 2.42 5.85 -1.90 -2.11 115.31 118.02 2bql h LEU 25 Ca -0.44 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.42 2bql h LEU 25 Cb 1.24 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 2bql h LEU 25 CO 0.52 0.54 0.60 0.00 -0.34 0.00 0.00 178.44 179.76 2bql h ALA 26 N 1.31 1.72 -0.09 1.25 0.00 -1.91 -1.13 119.26 120.40 2bql h ALA 26 Ca 0.29 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.05 2bql h ALA 26 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2bql h ALA 26 CO -0.11 0.02 -0.70 -0.91 0.00 0.00 0.00 179.25 177.55 2bql h ASN 27 N 0.80 0.49 -0.08 0.00 2.35 -1.71 -0.85 115.58 116.58 2bql h ASN 27 Ca 0.48 -0.31 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 2bql h ASN 27 Cb 0.68 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2bql h ASN 27 CO -0.25 1.04 -0.32 -0.50 -1.65 0.00 0.00 177.43 175.76 2bql h TRP 28 N 0.29 0.64 -0.47 1.19 4.06 -1.12 -1.20 115.95 119.34 2bql h TRP 28 Ca -0.03 -0.16 -0.10 0.00 2.06 0.00 0.00 58.89 60.66 2bql h TRP 28 Cb 1.27 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 2bql h TRP 28 CO 0.04 0.81 -0.10 0.52 -3.56 0.00 0.00 178.44 176.15 2bql h MET 29 N 0.47 0.90 -0.61 0.49 2.86 -1.10 -0.20 114.93 117.74 2bql h MET 29 Ca 0.06 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2bql h MET 29 Cb 0.78 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 2bql h MET 29 CO 0.06 0.99 0.32 0.00 1.06 0.00 0.00 176.91 179.34 2bql h LEU 31 N 0.84 -0.12 -1.17 0.00 5.85 -0.96 -2.54 115.31 117.20 2bql h LEU 31 Ca 0.21 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2bql h LEU 31 Cb 0.07 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2bql h LEU 31 CO -0.03 0.02 0.55 0.00 -0.34 0.00 0.00 178.44 178.63 2bql h ALA 32 N 0.63 1.39 0.09 1.25 0.00 -0.81 -0.60 119.26 121.22 2bql h ALA 32 Ca -0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bql h ALA 32 Cb 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2bql h ALA 32 CO 0.02 0.56 -0.07 -0.22 0.00 0.00 0.00 179.25 179.55 2bql h LYS 33 N 1.13 -0.16 0.00 0.00 1.63 -1.08 -1.35 116.57 116.75 2bql h LYS 33 Ca 0.30 0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 60.02 2bql h LYS 33 Cb -0.12 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 2bql h LYS 33 CO -0.06 -0.10 -0.47 -1.49 -3.45 0.00 0.00 179.45 173.87 2bql h TRP 34 N -0.16 0.00 0.15 1.91 4.06 -1.26 -0.56 115.95 120.09 2bql h TRP 34 Ca -0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 2bql h TRP 34 Cb 0.14 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.33 2bql h TRP 34 CO -0.09 0.47 -0.88 0.93 -3.56 0.00 0.00 178.44 175.32 2bql h GLU 35 N 0.00 0.32 0.00 0.49 4.39 -1.05 -3.43 114.58 115.30 2bql h GLU 35 Ca -0.00 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.15 2bql h GLU 35 Cb 1.30 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2bql h GLU 35 CO 0.06 1.26 0.00 -1.13 -1.16 0.00 0.00 179.01 178.04 2bql n SER 36 N -4.09 0.21 -1.70 1.42 3.41 -0.54 -4.85 113.62 107.48 2bql n SER 36 Ca -0.14 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.30 2bql n SER 36 Cb 0.85 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 2bql n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bql n GLY 37 N -0.01 -0.01 2.32 5.00 0.00 -0.22 -2.23 105.19 110.04 2bql n GLY 37 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 2bql n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bql n TYR 38 N -3.80 -0.50 -3.72 1.61 4.01 -1.16 -4.78 117.16 108.82 2bql n TYR 38 Ca -0.18 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.19 2bql n TYR 38 Cb 0.62 -2.96 -0.11 0.00 -0.31 0.00 0.00 39.34 36.58 2bql n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bql s ASN 39 N -2.48 5.57 0.46 7.72 2.47 -0.95 -1.47 114.94 126.27 2bql s ASN 39 Ca 0.00 -0.08 0.25 0.00 0.42 0.00 0.00 52.86 53.45 2bql s ASN 39 Cb 0.00 -2.01 0.98 0.00 -1.45 0.00 0.00 41.25 38.77 2bql s ASN 39 CO 0.00 -0.01 1.85 0.71 -3.72 0.00 0.00 177.10 175.93 2bql h THR 40 N 5.37 0.47 -0.33 -5.21 1.35 -1.64 -3.11 112.91 109.81 2bql h THR 40 Ca -0.37 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2bql h THR 40 Cb 1.18 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 2bql h THR 40 CO 0.59 0.18 0.00 -2.11 -0.25 0.00 0.00 175.52 173.93 2bql n ARG 41 N -3.35 2.03 -1.94 4.72 1.85 -1.26 -3.99 116.66 114.73 2bql n ARG 41 Ca 0.00 -1.58 -0.42 0.00 -1.00 0.00 0.00 57.85 54.85 2bql n ARG 41 Cb 0.41 -1.41 -0.03 0.00 -1.05 0.00 0.00 32.46 30.38 2bql n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bql s ALA 42 N -1.58 3.76 0.02 2.89 0.00 -1.18 -4.79 121.76 120.88 2bql s ALA 42 Ca 0.33 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.69 2bql s ALA 42 Cb 0.18 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2bql s ALA 42 CO 0.26 -0.78 -0.08 0.95 0.00 0.00 0.00 175.76 176.11 2bql s THR 43 N 1.00 0.62 -0.10 0.00 -4.23 -1.26 -0.41 115.64 111.25 2bql s THR 43 Ca 0.69 -0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2bql s THR 43 Cb -0.44 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 72.87 2bql s THR 43 CO 0.33 -0.04 0.08 0.21 -0.54 0.00 0.00 174.62 174.66 2bql s ASN 44 N -0.75 1.69 -0.03 3.99 2.47 -0.38 -4.97 114.94 116.97 2bql s ASN 44 Ca -0.01 -0.24 -0.23 0.00 0.42 0.00 0.00 52.86 52.80 2bql s ASN 44 Cb -0.06 -0.18 -0.04 0.00 -1.45 0.00 0.00 41.25 39.52 2bql s ASN 44 CO 0.00 -0.30 0.67 -0.47 -3.72 0.00 0.00 177.10 173.29 2bql s TYR 45 N 2.16 3.63 -0.54 0.43 5.04 -1.26 -0.31 117.35 126.50 2bql s TYR 45 Ca 0.04 1.26 -0.12 0.00 -2.44 0.00 0.00 57.07 55.81 2bql s TYR 45 Cb -0.14 -2.74 0.14 0.00 0.35 0.00 0.00 41.96 39.56 2bql s TYR 45 CO -0.06 0.19 0.45 -0.80 -1.34 0.00 0.00 175.55 173.99 2bql s ASN 46 N 0.37 5.95 0.34 4.32 0.01 0.09 -4.94 114.94 121.08 2bql s ASN 46 Ca 0.35 -2.02 0.10 0.00 -0.71 0.00 0.00 52.86 50.59 2bql s ASN 46 Cb -0.18 -2.09 0.84 0.00 0.41 0.00 0.00 41.25 40.23 2bql s ASN 46 CO 0.18 -0.72 1.82 0.00 -1.51 0.00 0.00 177.10 176.88 2bql h ALA 47 N 8.44 1.85 0.43 0.60 0.00 -1.96 0.39 119.26 129.01 2bql h ALA 47 Ca -0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2bql h ALA 47 Cb 1.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2bql h ALA 47 CO 0.90 -0.17 -0.36 0.78 0.00 0.00 0.00 179.25 180.39 2bql h GLY 48 N 0.66 -0.89 -1.79 0.00 0.00 -1.95 -3.26 103.07 95.84 2bql h GLY 48 Ca 0.52 0.41 0.00 0.00 0.00 0.00 0.00 47.33 48.26 2bql h GLY 48 CO -0.28 -0.31 0.00 2.09 0.00 0.00 0.00 176.54 178.03 2bql n ASP 49 N -5.48 2.98 -2.83 0.19 5.75 -1.17 -5.00 116.55 111.00 2bql n ASP 49 Ca -0.11 -1.87 -0.21 0.00 -0.01 0.00 0.00 54.79 52.59 2bql n ASP 49 Cb 0.37 -0.16 0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2bql n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bql n ARG 50 N 1.13 -4.59 -3.94 0.11 1.74 0.12 -4.70 116.66 106.54 2bql n ARG 50 Ca 0.15 0.86 -0.23 0.00 -0.77 0.00 0.00 57.85 57.85 2bql n ARG 50 Cb 0.51 -5.60 -0.06 0.00 -1.02 0.00 0.00 32.46 26.29 2bql n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bql s SER 51 N -2.72 4.65 0.00 0.55 1.04 -1.20 -4.36 113.70 111.66 2bql s SER 51 Ca 0.28 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2bql s SER 51 Cb -0.12 -0.52 -0.01 0.00 0.10 0.00 0.00 66.02 65.46 2bql s SER 51 CO 0.35 -0.57 -0.07 -0.89 0.98 0.00 0.00 173.24 173.05 2bql s THR 52 N -2.55 0.50 -0.16 2.02 2.01 -1.26 -0.73 115.64 115.48 2bql s THR 52 Ca 0.43 -0.40 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2bql s THR 52 Cb 0.01 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 2bql s THR 52 CO 0.24 0.05 0.15 -1.81 -0.69 0.00 0.00 174.62 172.57 2bql s ASP 53 N -0.39 6.32 -0.01 3.53 1.01 0.58 -1.33 116.67 126.39 2bql s ASP 53 Ca 0.00 0.38 0.06 0.00 0.71 0.00 0.00 52.55 53.70 2bql s ASP 53 Cb -0.04 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 2bql s ASP 53 CO -0.00 0.29 -0.20 -0.31 0.21 0.00 0.00 175.17 175.16 2bql s TYR 54 N -0.32 1.77 0.00 4.23 2.02 0.08 -1.25 117.35 123.89 2bql s TYR 54 Ca 0.12 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 2bql s TYR 54 Cb -0.12 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2bql s TYR 54 CO 0.02 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 2bql n GLY 55 N 2.53 -2.13 0.26 0.71 0.00 0.45 -1.17 105.19 105.84 2bql n GLY 55 Ca -0.15 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.39 2bql n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bql h ILE 56 N 0.00 1.09 -0.30 -0.61 2.10 -1.68 -1.58 117.51 116.53 2bql h ILE 56 Ca 0.00 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.57 2bql h ILE 56 Cb 0.00 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.75 2bql h ILE 56 CO 0.00 0.12 0.00 0.49 -1.08 0.00 0.00 178.15 177.68 2bql n PHE 57 N -4.41 0.39 -3.51 2.19 3.72 -1.26 -4.00 117.46 110.58 2bql n PHE 57 Ca -0.01 -0.25 -0.20 0.00 -0.05 0.00 0.00 57.45 56.94 2bql n PHE 57 Cb 0.16 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.72 2bql n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bql n GLN 58 N 1.13 -1.37 -2.96 -1.08 1.13 -0.59 -4.93 117.38 108.70 2bql n GLN 58 Ca 0.15 0.86 -0.40 0.00 -1.94 0.00 0.00 57.00 55.67 2bql n GLN 58 Cb 0.51 -4.16 -0.04 0.00 0.11 0.00 0.00 30.24 26.65 2bql n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bql s ILE 59 N -3.19 4.99 0.05 5.09 1.01 -0.31 -4.51 121.20 124.32 2bql s ILE 59 Ca 0.20 1.57 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 2bql s ILE 59 Cb -0.07 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2bql s ILE 59 CO 0.83 0.19 0.97 0.21 0.00 0.00 0.00 174.94 177.15 2bql s ASN 60 N 0.91 7.43 0.14 3.58 3.84 -1.26 -0.74 114.94 128.83 2bql s ASN 60 Ca 0.40 1.72 0.19 0.00 0.21 0.00 0.00 52.86 55.38 2bql s ASN 60 Cb -0.18 -2.58 0.80 0.00 -0.55 0.00 0.00 41.25 38.74 2bql s ASN 60 CO 0.19 -0.17 1.58 -1.54 -2.79 0.00 0.00 177.10 174.37 2bql n SER 61 N 3.36 0.35 0.06 -4.21 3.41 -0.44 -1.75 113.62 114.41 2bql n SER 61 Ca 0.04 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 2bql n SER 61 Cb 0.50 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 2bql n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bql h ARG 62 N 0.00 0.43 0.00 4.33 2.43 -1.85 -3.41 114.38 116.31 2bql h ARG 62 Ca 0.00 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2bql h ARG 62 Cb 0.30 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2bql h ARG 62 CO 0.00 1.09 -1.02 0.66 -1.51 0.00 0.00 179.97 179.19 2bql n TYR 63 N -3.77 0.00 -0.04 2.20 4.01 -1.18 0.56 117.16 118.94 2bql n TYR 63 Ca -0.06 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.68 2bql n TYR 63 Cb 0.81 -0.02 -0.12 0.00 -0.31 0.00 0.00 39.34 39.70 2bql n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bql n TRP 64 N -2.15 0.00 -4.14 -0.72 7.02 -0.72 0.09 117.44 116.82 2bql n TRP 64 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 2bql n TRP 64 Cb 0.51 -0.55 -0.10 0.00 -2.42 0.00 0.00 31.31 28.75 2bql n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bql s ASN 66 N -2.88 4.84 0.00 0.00 2.47 0.08 -4.42 114.94 115.02 2bql s ASN 66 Ca 0.09 -0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.21 2bql s ASN 66 Cb 0.05 -1.81 0.00 0.00 -1.45 0.00 0.00 41.25 38.04 2bql s ASN 66 CO -0.06 0.12 0.60 -0.90 -3.72 0.00 0.00 177.10 173.15 2bql n ASP 67 N 3.87 1.13 0.00 -4.21 5.75 -1.26 -1.09 116.55 120.72 2bql n ASP 67 Ca -0.17 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2bql n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bql n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bql n GLY 68 N -0.16 1.68 1.17 6.12 0.00 -1.26 -4.71 105.19 108.03 2bql n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2bql n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bql n LYS 69 N -0.20 2.49 -3.39 1.61 2.85 -1.26 -4.92 118.16 115.34 2bql n LYS 69 Ca 0.00 -2.29 -0.39 0.00 -1.05 0.00 0.00 58.31 54.58 2bql n LYS 69 Cb 0.00 -1.51 -0.09 0.00 -0.65 0.00 0.00 35.03 32.78 2bql n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bql s THR 70 N -1.26 5.18 0.75 0.58 2.01 -1.26 -4.95 115.64 116.69 2bql s THR 70 Ca 0.42 0.58 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 2bql s THR 70 Cb 0.23 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 69.09 2bql s THR 70 CO 0.30 0.16 1.20 -2.84 -0.69 0.00 0.00 174.62 172.76 2bql s PRO 71 N 2.02 1.99 -0.99 4.92 0.02 -1.26 -2.67 135.00 139.03 2bql s PRO 71 Ca 0.15 1.73 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 2bql s PRO 71 Cb -0.16 -1.82 0.10 0.00 0.02 0.00 0.00 34.50 32.65 2bql s PRO 71 CO 0.10 -1.94 0.32 0.41 -0.33 0.00 0.00 177.00 175.56 2bql n GLY 72 N 0.35 -0.46 3.78 0.52 0.00 -1.26 -4.87 105.19 103.26 2bql n GLY 72 Ca 0.13 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2bql n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bql s ALA 73 N -2.67 3.11 0.44 4.61 0.00 -1.09 -4.95 121.76 121.22 2bql s ALA 73 Ca 0.39 0.69 0.03 0.00 0.00 0.00 0.00 51.96 53.07 2bql s ALA 73 Cb -0.22 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2bql s ALA 73 CO 0.47 -0.17 0.08 0.08 0.00 0.00 0.00 175.76 176.22 2bql s VAL 74 N -1.63 0.82 -0.34 0.00 1.01 0.19 -5.03 120.40 115.43 2bql s VAL 74 Ca 0.56 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.56 2bql s VAL 74 Cb -0.22 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 34.01 2bql s VAL 74 CO 0.28 0.00 0.35 0.21 0.00 0.00 0.00 175.10 175.93 2bql s ASN 75 N -3.70 1.33 -0.17 3.32 2.47 -1.24 -4.21 114.94 112.73 2bql s ASN 75 Ca 0.18 -1.22 -0.19 0.00 0.42 0.00 0.00 52.86 52.05 2bql s ASN 75 Cb 0.02 0.56 -0.22 0.00 -1.45 0.00 0.00 41.25 40.17 2bql s ASN 75 CO 0.11 -0.31 0.33 0.00 -3.72 0.00 0.00 177.10 173.50 2bql h ALA 76 N 7.56 0.26 0.00 1.71 0.00 -0.56 -3.36 119.26 124.87 2bql h ALA 76 Ca -0.02 -1.18 -0.14 0.00 0.00 0.00 0.00 54.91 53.57 2bql h ALA 76 Cb 1.07 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2bql h ALA 76 CO 0.25 0.78 -0.66 0.00 0.00 0.00 0.00 179.25 179.63 2bql h ALA 77 N -0.30 0.84 -0.22 0.00 0.00 -1.70 -3.48 119.26 114.40 2bql h ALA 77 Ca -0.33 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 53.89 2bql h ALA 77 Cb 1.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 2bql h ALA 77 CO -0.10 0.82 -0.08 0.72 0.00 0.00 0.00 179.25 180.61 2bql n HIS 78 N -3.65 -0.01 -3.00 0.00 -0.00 -1.22 -5.01 115.22 102.33 2bql n HIS 78 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 2bql n HIS 78 Cb 0.67 -1.13 0.02 0.00 -0.00 0.00 0.00 29.99 29.56 2bql n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bql s LEU 79 N -0.97 3.51 0.05 2.41 1.43 -1.26 -4.94 118.68 118.92 2bql s LEU 79 Ca 0.00 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.40 2bql s LEU 79 Cb 0.00 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 2bql s LEU 79 CO 0.00 -0.92 0.57 -0.55 0.23 0.00 0.00 176.35 175.68 2bql s SER 80 N -4.43 7.03 0.62 2.29 0.15 -1.26 -0.74 113.70 117.35 2bql s SER 80 Ca 0.57 1.22 0.35 0.00 0.70 0.00 0.00 55.95 58.79 2bql s SER 80 Cb -0.09 -2.36 2.02 0.00 -1.71 0.00 0.00 66.02 63.89 2bql s SER 80 CO 0.35 0.23 2.29 0.00 1.20 0.00 0.00 173.24 177.31 2bql h SER 82 N 0.00 0.90 -0.04 0.00 0.87 -1.92 -1.50 113.55 111.86 2bql h SER 82 Ca -0.00 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2bql h SER 82 Cb 0.01 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2bql h SER 82 CO 0.00 0.65 0.07 0.00 -0.53 0.00 0.00 176.83 177.01 2bql h ALA 83 N 1.51 1.41 -0.21 6.23 0.00 -1.64 -1.54 119.26 125.03 2bql h ALA 83 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2bql h ALA 83 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2bql h ALA 83 CO -0.07 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.38 2bql n LEU 84 N -3.54 1.52 -0.58 0.00 4.77 -0.56 -3.58 117.00 115.02 2bql n LEU 84 Ca -0.02 -0.68 0.06 0.00 -0.03 0.00 0.00 56.01 55.33 2bql n LEU 84 Cb 0.15 -0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.26 2bql n LEU 84 CO 0.24 0.34 0.63 0.18 -1.33 0.00 0.00 177.39 177.45 2bql n LEU 85 N 0.26 2.97 -4.88 2.23 4.77 -0.58 -3.49 117.00 118.28 2bql n LEU 85 Ca 0.14 -2.25 -0.30 0.00 -0.03 0.00 0.00 56.01 53.57 2bql n LEU 85 Cb 0.28 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2bql n LEU 85 CO 0.11 0.69 0.67 -1.10 -1.33 0.00 0.00 177.39 176.42 2bql s GLN 86 N -1.45 3.37 0.23 3.23 -0.21 -1.24 -4.64 119.66 118.95 2bql s GLN 86 Ca 0.24 0.53 0.06 0.00 0.02 0.00 0.00 55.36 56.22 2bql s GLN 86 Cb 0.16 -2.13 0.21 0.00 1.00 0.00 0.00 33.01 32.24 2bql s GLN 86 CO 0.12 -0.63 1.52 -0.44 -2.12 0.00 0.00 175.29 173.75 2bql h ASP 87 N -0.29 0.15 -3.35 5.90 3.32 -1.93 -3.41 116.42 116.80 2bql h ASP 87 Ca -0.45 -0.10 -0.59 0.00 0.02 0.00 0.00 57.03 55.91 2bql h ASP 87 Cb 1.21 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 2bql h ASP 87 CO 0.62 0.79 0.52 0.21 -1.72 0.00 0.00 179.24 179.66 2bql s ASN 88 N -6.87 6.78 -0.01 6.45 3.84 -1.26 -4.92 114.94 118.95 2bql s ASN 88 Ca -0.02 0.88 0.08 0.00 0.21 0.00 0.00 52.86 54.01 2bql s ASN 88 Cb 0.12 -2.45 0.25 0.00 -0.55 0.00 0.00 41.25 38.62 2bql s ASN 88 CO 0.79 -0.63 1.18 2.30 -2.79 0.00 0.00 177.10 177.95 2bql n ILE 89 N 5.49 0.41 -0.23 -5.21 -5.35 -1.26 -4.47 119.36 108.74 2bql n ILE 89 Ca 0.06 -0.38 -0.00 0.00 -0.27 0.00 0.00 62.75 62.16 2bql n ILE 89 Cb 0.48 0.14 0.11 0.00 -1.74 0.00 0.00 39.64 38.63 2bql n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bql h ALA 90 N 3.45 0.90 -0.30 -1.28 0.00 -1.95 -0.06 119.26 120.02 2bql h ALA 90 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2bql h ALA 90 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2bql h ALA 90 CO 0.01 -0.04 -0.41 -0.44 0.00 0.00 0.00 179.25 178.38 2bql h ASP 91 N 0.60 0.77 -0.39 0.00 3.32 -1.87 -1.06 116.42 117.79 2bql h ASP 91 Ca 0.32 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2bql h ASP 91 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2bql h ASP 91 CO -0.24 1.08 0.06 0.00 -1.72 0.00 0.00 179.24 178.42 2bql h ALA 92 N 0.95 1.21 -0.29 3.45 0.00 -1.65 -0.64 119.26 122.30 2bql h ALA 92 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2bql h ALA 92 Cb 0.95 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2bql h ALA 92 CO 0.09 0.53 -0.34 0.28 0.00 0.00 0.00 179.25 179.80 2bql h VAL 93 N 0.71 1.30 -0.57 0.00 2.07 -0.86 -0.96 116.25 117.94 2bql h VAL 93 Ca 0.15 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 2bql h VAL 93 Cb 0.35 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2bql h VAL 93 CO 0.01 0.49 0.25 0.00 0.02 0.00 0.00 177.57 178.34 2bql h ALA 94 N 0.70 1.38 -0.24 1.67 0.00 -0.62 -1.32 119.26 120.82 2bql h ALA 94 Ca 0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2bql h ALA 94 Cb 0.92 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2bql h ALA 94 CO 0.08 0.48 -0.27 0.00 0.00 0.00 0.00 179.25 179.54 2bql h ALA 95 N 1.47 0.35 -0.72 0.00 0.00 -0.97 -2.64 119.26 116.76 2bql h ALA 95 Ca 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2bql h ALA 95 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bql h ALA 95 CO -0.02 0.35 0.37 0.00 0.00 0.00 0.00 179.25 179.94 2bql h ALA 96 N 0.66 1.29 -0.64 0.00 0.00 -0.87 -1.23 119.26 118.48 2bql h ALA 96 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2bql h ALA 96 Cb 0.83 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2bql h ALA 96 CO 0.07 0.56 0.19 0.87 0.00 0.00 0.00 179.25 180.93 2bql h LYS 97 N 1.01 1.00 -0.74 0.00 1.57 -1.20 -2.62 116.57 115.59 2bql h LYS 97 Ca 0.25 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2bql h LYS 97 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2bql h LYS 97 CO -0.04 0.88 0.28 -0.09 -0.57 0.00 0.00 179.45 179.91 2bql h ARG 98 N 0.92 1.12 -0.64 3.15 9.65 -1.05 -2.88 114.38 124.66 2bql h ARG 98 Ca 0.20 -0.21 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 2bql h ARG 98 Cb 0.31 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 2bql h ARG 98 CO -0.00 0.93 0.36 0.28 2.80 0.00 0.00 179.97 184.33 2bql h VAL 99 N 1.07 0.99 -0.00 0.20 2.07 -0.89 -2.59 116.25 117.10 2bql h VAL 99 Ca 0.24 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2bql h VAL 99 Cb 0.24 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2bql h VAL 99 CO -0.02 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.03 2bql n VAL 100 N -4.78 0.00 0.36 2.57 0.24 -1.02 -3.16 118.33 112.54 2bql n VAL 100 Ca 0.07 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 2bql n VAL 100 Cb 0.15 -0.38 0.42 0.00 -1.47 0.00 0.00 33.84 32.56 2bql n VAL 100 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bql h ARG 101 N 0.19 0.00 -7.09 7.34 3.08 -1.29 -3.37 114.38 113.23 2bql h ARG 101 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 2bql h ARG 101 Cb 0.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 2bql h ARG 101 CO 0.00 0.00 0.37 -0.51 -1.07 0.00 0.00 179.97 178.76 2bql s ASP 102 N -5.35 6.51 0.61 7.04 1.11 -1.19 -4.94 116.67 120.47 2bql s ASP 102 Ca 0.06 1.81 0.28 0.00 0.18 0.00 0.00 52.55 54.88 2bql s ASP 102 Cb 0.08 -2.55 1.40 0.00 1.07 0.00 0.00 42.92 42.92 2bql s ASP 102 CO 0.57 -0.66 1.81 1.55 1.18 0.00 0.00 175.17 179.62 2bql h PRO 103 N 1.52 0.00 0.00 8.23 0.13 -1.90 0.43 132.00 140.41 2bql h PRO 103 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2bql h PRO 103 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2bql h PRO 103 CO 0.60 0.00 -0.26 0.37 -0.23 0.00 0.00 178.00 178.48 2bql h GLN 104 N 0.00 0.00 0.00 0.86 4.15 -1.91 -3.48 115.11 114.73 2bql h GLN 104 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2bql h GLN 104 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2bql h GLN 104 CO -0.00 0.26 0.00 0.41 -1.93 0.00 0.00 178.83 177.56 2bql n GLY 105 N 0.13 3.03 0.15 2.39 0.00 0.14 -2.09 105.19 108.95 2bql n GLY 105 Ca -0.00 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.84 2bql n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bql h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.90 -2.55 117.51 114.55 2bql h ILE 106 Ca 0.00 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.67 2bql h ILE 106 Cb 0.00 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 2bql h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 2bql n ARG 107 N -2.38 0.05 0.28 2.19 1.74 -0.89 -2.53 116.66 115.13 2bql n ARG 107 Ca 0.02 0.27 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 2bql n ARG 107 Cb 0.24 -1.50 0.82 0.00 -1.02 0.00 0.00 32.46 31.00 2bql n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bql h ALA 108 N 2.43 1.71 -2.67 7.54 0.00 -1.61 -3.39 119.26 123.27 2bql h ALA 108 Ca 0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2bql h ALA 108 Cb 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.80 2bql h ALA 108 CO 0.00 -0.02 -0.23 -1.58 0.00 0.00 0.00 179.25 177.43 2bql s TRP 109 N -4.79 3.23 0.33 0.00 0.51 -1.05 -4.96 118.94 112.21 2bql s TRP 109 Ca -0.05 0.30 0.03 0.00 -2.12 0.00 0.00 56.10 54.27 2bql s TRP 109 Cb 0.16 -2.63 0.58 0.00 -0.81 0.00 0.00 33.47 30.77 2bql s TRP 109 CO 0.59 -0.30 1.88 0.28 -0.51 0.00 0.00 176.95 178.89 2bql h VAL 110 N 5.44 1.20 0.00 4.03 2.07 -1.89 -1.96 116.25 125.13 2bql h VAL 110 Ca -0.31 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2bql h VAL 110 Cb 1.15 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2bql h VAL 110 CO 0.67 0.26 -0.03 0.00 0.02 0.00 0.00 177.57 178.49 2bql h ALA 111 N 1.49 1.88 -0.53 1.67 0.00 -1.94 -1.36 119.26 120.46 2bql h ALA 111 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2bql h ALA 111 Cb 0.30 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2bql h ALA 111 CO 0.00 0.03 0.01 2.35 0.00 0.00 0.00 179.25 181.65 2bql h TRP 112 N 0.00 1.01 -0.49 0.00 7.01 -1.68 -2.15 115.95 119.65 2bql h TRP 112 Ca -0.00 -0.17 -0.10 0.00 2.11 0.00 0.00 58.89 60.72 2bql h TRP 112 Cb 0.05 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 2bql h TRP 112 CO 0.00 0.92 -0.10 0.00 -2.79 0.00 0.00 178.44 176.47 2bql h ARG 113 N 0.80 0.91 -0.18 2.65 3.08 -1.27 0.11 114.38 120.48 2bql h ARG 113 Ca 0.15 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 2bql h ARG 113 Cb 0.52 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2bql h ARG 113 CO 0.03 0.96 -0.20 -0.91 -1.07 0.00 0.00 179.97 178.78 2bql h ASN 114 N 0.81 0.48 0.00 7.04 2.35 -1.33 -3.37 115.58 121.57 2bql h ASN 114 Ca 0.13 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 2bql h ASN 114 Cb 0.63 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2bql h ASN 114 CO 0.04 0.87 0.00 -2.11 -1.65 0.00 0.00 177.43 174.59 2bql n ARG 115 N -4.47 2.12 0.00 0.81 1.85 -0.82 -4.86 116.66 111.30 2bql n ARG 115 Ca -0.06 -1.23 0.00 0.00 -1.00 0.00 0.00 57.85 55.57 2bql n ARG 115 Cb 0.40 -0.91 0.00 0.00 -1.05 0.00 0.00 32.46 30.90 2bql n ARG 115 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bql n GLN 117 N -2.46 2.15 -3.36 0.00 7.27 0.16 -2.63 117.38 118.51 2bql n GLN 117 Ca 0.00 0.77 -0.24 0.00 0.07 0.00 0.00 57.00 57.59 2bql n GLN 117 Cb 0.37 -2.46 0.02 0.00 2.41 0.00 0.00 30.24 30.58 2bql n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bql n ASN 118 N 2.29 -5.02 -4.31 1.69 5.03 -1.26 -4.98 115.26 108.71 2bql n ASN 118 Ca 0.12 -0.44 -0.16 0.00 0.87 0.00 0.00 54.58 54.97 2bql n ASN 118 Cb 0.32 -4.06 -0.10 0.00 -1.02 0.00 0.00 39.78 34.92 2bql n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bql s ARG 119 N -6.04 1.25 -0.43 3.52 0.52 -1.08 -5.11 118.95 111.58 2bql s ARG 119 Ca 0.43 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.79 2bql s ARG 119 Cb -0.21 -0.65 0.02 0.00 0.52 0.00 0.00 34.95 34.64 2bql s ARG 119 CO 0.53 -0.03 0.90 0.34 0.02 0.00 0.00 175.30 177.06 2bql s ASP 120 N -3.26 6.53 0.00 0.23 2.15 -1.26 -4.90 116.67 116.16 2bql s ASP 120 Ca 0.24 0.21 0.19 0.00 0.43 0.00 0.00 52.55 53.63 2bql s ASP 120 Cb 0.04 -2.44 0.43 0.00 -0.30 0.00 0.00 42.92 40.65 2bql s ASP 120 CO 0.06 -0.97 1.35 1.33 -0.17 0.00 0.00 175.17 176.77 2bql n VAL 121 N 6.25 0.70 -0.24 1.11 0.24 -1.26 -4.59 118.33 120.54 2bql n VAL 121 Ca 0.06 -0.85 0.14 0.00 -2.04 0.00 0.00 64.34 61.65 2bql n VAL 121 Cb 0.48 0.78 0.43 0.00 -1.47 0.00 0.00 33.84 34.06 2bql n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bql h ARG 122 N 3.69 0.56 -0.78 7.34 3.08 -1.91 -1.31 114.38 125.05 2bql h ARG 122 Ca 0.00 -0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.24 2bql h ARG 122 Cb 0.89 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 2bql h ARG 122 CO 0.00 0.37 0.62 -0.56 -1.07 0.00 0.00 179.97 179.33 2bql h GLN 123 N 0.58 0.00 0.00 0.04 3.07 -1.96 -0.90 115.11 115.93 2bql h GLN 123 Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.14 2bql h GLN 123 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2bql h GLN 123 CO -0.18 0.00 -0.15 1.88 0.09 0.00 0.00 178.83 180.47 2bql h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.57 -3.30 116.97 112.21 2bql h TYR 124 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 2bql h TYR 124 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 2bql h TYR 124 CO 0.00 0.15 -0.05 1.33 -1.05 0.00 0.00 178.16 178.55 2bql n VAL 125 N -3.26 0.00 -1.98 -2.88 0.24 -0.45 -4.86 118.33 105.14 2bql n VAL 125 Ca 0.01 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 2bql n VAL 125 Cb 0.42 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 2bql n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bql s GLN 126 N -0.63 4.24 0.00 7.34 2.00 -0.56 -2.16 119.66 129.89 2bql s GLN 126 Ca 0.02 2.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.71 2bql s GLN 126 Cb 0.02 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.71 2bql s GLN 126 CO 0.06 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.78 2bql n GLY 127 N 2.58 0.88 0.06 2.59 0.00 -1.26 -4.92 105.19 105.12 2bql n GLY 127 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2bql n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bql n GLY 129 N 1.35 0.45 0.19 0.00 0.00 -1.26 -4.86 105.19 101.05 2bql n GLY 129 Ca 0.03 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.32 2bql n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65