#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qsw s VAL 2 N 0.00 4.38 0.39 3.15 1.01 -1.26 -1.27 120.40 126.80 1qsw s VAL 2 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1qsw s VAL 2 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.24 1qsw s VAL 2 CO 0.00 0.34 0.84 -0.36 0.00 0.00 0.00 175.10 175.92 1qsw s PHE 3 N 1.60 3.37 0.22 5.22 0.08 0.13 -4.99 117.98 123.62 1qsw s PHE 3 Ca 0.06 1.37 -0.20 0.00 0.12 0.00 0.00 56.93 58.28 1qsw s PHE 3 Cb -0.15 -2.66 -0.08 0.00 -0.57 0.00 0.00 43.02 39.55 1qsw s PHE 3 CO 0.04 -0.04 0.74 -2.00 -0.10 0.00 0.00 175.22 173.86 1qsw s GLU 4 N -3.24 4.29 0.07 0.44 2.56 -1.26 -4.86 118.70 116.71 1qsw s GLU 4 Ca 0.57 0.91 -0.15 0.00 0.00 0.00 0.00 54.97 56.30 1qsw s GLU 4 Cb -0.10 -2.90 -0.04 0.00 2.00 0.00 0.00 34.13 33.09 1qsw s GLU 4 CO 0.18 0.40 1.26 -0.09 -0.56 0.00 0.00 175.26 176.45 1qsw h ARG 5 N 3.46 -0.08 -0.10 4.30 2.43 -1.97 -1.64 114.38 120.78 1qsw h ARG 5 Ca -0.48 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1qsw h ARG 5 Cb 1.19 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1qsw h ARG 5 CO 0.65 -0.06 -0.11 0.00 -1.51 0.00 0.00 179.97 178.95 1qsw h GLU 7 N 0.15 1.24 0.06 0.00 4.81 -1.78 -0.44 114.58 118.62 1qsw h GLU 7 Ca 0.03 -0.11 -0.27 0.00 -0.13 0.00 0.00 59.36 58.88 1qsw h GLU 7 Cb 0.29 -0.26 0.02 0.00 0.63 0.00 0.00 28.75 29.43 1qsw h GLU 7 CO 0.02 0.86 -1.13 1.25 -0.73 0.00 0.00 179.01 179.28 1qsw h LEU 8 N 1.26 0.78 -0.26 1.64 6.46 -0.60 -1.69 115.31 122.89 1qsw h LEU 8 Ca 0.33 -0.68 0.03 0.00 -0.12 0.00 0.00 57.88 57.44 1qsw h LEU 8 Cb -0.06 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.60 1qsw h LEU 8 CO -0.06 1.49 0.07 0.00 -0.62 0.00 0.00 178.44 179.32 1qsw h ALA 9 N 0.44 0.28 -0.11 1.25 0.00 -0.42 -0.23 119.26 120.47 1qsw h ALA 9 Ca -0.15 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1qsw h ALA 9 Cb 1.79 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 1qsw h ALA 9 CO 0.21 -0.34 -0.40 0.00 0.00 0.00 0.00 179.25 178.72 1qsw h ARG 10 N 0.18 0.24 -0.32 0.00 3.08 -1.12 -1.59 114.38 114.84 1qsw h ARG 10 Ca 0.12 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1qsw h ARG 10 Cb 0.10 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1qsw h ARG 10 CO -0.13 0.61 -0.33 1.15 -1.07 0.00 0.00 179.97 180.20 1qsw h THR 11 N 0.20 1.29 -0.62 2.04 2.02 -0.80 -1.94 112.91 115.10 1qsw h THR 11 Ca 0.02 -1.50 -0.07 0.00 0.77 0.00 0.00 66.41 65.63 1qsw h THR 11 Cb 0.80 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1qsw h THR 11 CO 0.06 0.49 0.13 -0.07 0.37 0.00 0.00 175.52 176.50 1qsw h LEU 12 N 0.57 0.96 0.36 2.58 3.38 -0.89 -2.21 115.31 120.06 1qsw h LEU 12 Ca 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1qsw h LEU 12 Cb 0.91 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1qsw h LEU 12 CO 0.08 0.96 -0.23 0.50 0.09 0.00 0.00 178.44 179.84 1qsw h LYS 13 N 0.92 -0.55 -0.07 1.13 3.11 -1.28 -0.50 116.57 119.33 1qsw h LYS 13 Ca 0.19 0.04 0.02 0.00 -2.81 0.00 0.00 60.65 58.09 1qsw h LYS 13 Cb 0.38 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1qsw h LYS 13 CO 0.01 -0.37 0.07 0.00 -2.81 0.00 0.00 179.45 176.35 1qsw h ARG 14 N -0.58 0.00 -0.53 1.90 3.08 -1.26 -1.51 114.38 115.49 1qsw h ARG 14 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1qsw h ARG 14 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1qsw h ARG 14 CO 0.03 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.21 1qsw n LEU 15 N -3.97 2.59 -1.42 3.04 4.77 -0.84 -4.91 117.00 116.27 1qsw n LEU 15 Ca -0.01 -1.30 -0.09 0.00 -0.03 0.00 0.00 56.01 54.57 1qsw n LEU 15 Cb 0.17 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1qsw n LEU 15 CO 0.29 0.50 -0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1qsw n GLY 16 N 0.85 0.17 0.12 -0.72 0.00 -0.57 -4.96 105.19 100.08 1qsw n GLY 16 Ca 0.14 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1qsw n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qsw h MET 17 N -0.59 0.00 -6.08 1.61 2.86 -1.24 -3.40 114.93 108.09 1qsw h MET 17 Ca -0.23 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.84 1qsw h MET 17 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1qsw h MET 17 CO 0.24 0.46 1.41 0.34 1.06 0.00 0.00 176.91 180.42 1qsw s ASP 18 N -6.25 5.56 0.00 1.22 2.15 -1.26 -1.21 116.67 116.87 1qsw s ASP 18 Ca 0.02 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.57 1qsw s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1qsw s ASP 18 CO 0.77 -1.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.45 1qsw n GLY 19 N 5.64 0.51 3.67 2.66 0.00 -0.25 -4.93 105.19 112.50 1qsw n GLY 19 Ca 0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 1qsw n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qsw n TYR 20 N -2.88 2.50 -4.14 1.61 9.36 -0.35 -0.53 117.16 122.73 1qsw n TYR 20 Ca 0.00 -0.23 -0.35 0.00 3.32 0.00 0.00 57.90 60.65 1qsw n TYR 20 Cb 0.02 -2.75 -0.01 0.00 -0.63 0.00 0.00 39.34 35.97 1qsw n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qsw n ARG 21 N 6.73 -3.84 -0.47 2.98 5.12 -1.26 -0.38 116.66 125.55 1qsw n ARG 21 Ca 0.20 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.56 1qsw n ARG 21 Cb 0.37 -5.21 0.00 0.00 -1.16 0.00 0.00 32.46 26.47 1qsw n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qsw n GLY 22 N -1.48 1.94 3.69 -0.13 0.00 0.31 -5.01 105.19 104.50 1qsw n GLY 22 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1qsw n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qsw s ILE 23 N -3.37 4.83 0.71 -0.61 1.01 0.49 -4.83 121.20 119.44 1qsw s ILE 23 Ca 0.00 1.92 -0.11 0.00 0.00 0.00 0.00 60.65 62.46 1qsw s ILE 23 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1qsw s ILE 23 CO 0.00 0.05 1.07 -0.94 0.00 0.00 0.00 174.94 175.11 1qsw s SER 24 N 1.08 5.25 0.24 3.58 1.04 -1.26 -1.10 113.70 122.52 1qsw s SER 24 Ca 0.46 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 1qsw s SER 24 Cb -0.18 -2.36 0.27 0.00 0.10 0.00 0.00 66.02 63.85 1qsw s SER 24 CO 0.18 -1.51 1.88 0.25 0.98 0.00 0.00 173.24 175.02 1qsw h LEU 25 N -0.77 0.94 -1.20 2.42 5.85 -1.92 -0.77 115.31 119.87 1qsw h LEU 25 Ca -0.45 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1qsw h LEU 25 Cb 1.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1qsw h LEU 25 CO 0.58 0.64 0.55 0.00 -0.34 0.00 0.00 178.44 179.87 1qsw h ALA 26 N 1.36 1.43 -0.22 1.25 0.00 -1.93 0.13 119.26 121.28 1qsw h ALA 26 Ca 0.35 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 1qsw h ALA 26 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1qsw h ALA 26 CO -0.12 0.52 -0.52 -0.91 0.00 0.00 0.00 179.25 178.23 1qsw h ASN 27 N 1.10 0.70 -0.16 0.00 2.35 -1.69 0.15 115.58 118.03 1qsw h ASN 27 Ca 0.31 -0.36 -0.17 0.00 -0.55 0.00 0.00 56.30 55.53 1qsw h ASN 27 Cb -0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.06 1qsw h ASN 27 CO -0.07 1.09 -0.50 -0.50 -1.65 0.00 0.00 177.43 175.80 1qsw h TRP 28 N 0.50 0.91 0.06 1.19 4.06 -0.34 -2.27 115.95 120.05 1qsw h TRP 28 Ca 0.02 -0.31 -0.00 0.00 2.06 0.00 0.00 58.89 60.66 1qsw h TRP 28 Cb 1.07 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 29.05 1qsw h TRP 28 CO 0.05 1.08 -0.03 0.52 -3.56 0.00 0.00 178.44 176.50 1qsw h MET 29 N 0.58 -0.08 -0.97 0.49 2.86 -0.56 -1.89 114.93 115.36 1qsw h MET 29 Ca 0.02 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.76 1qsw h MET 29 Cb 1.07 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 1qsw h MET 29 CO 0.11 0.06 0.61 0.00 1.06 0.00 0.00 176.91 178.74 1qsw h LEU 31 N 1.02 -0.43 -1.06 0.00 5.85 -1.22 -2.32 115.31 117.15 1qsw h LEU 31 Ca 0.45 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.17 1qsw h LEU 31 Cb 0.35 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1qsw h LEU 31 CO -0.23 -0.22 0.63 0.00 -0.34 0.00 0.00 178.44 178.28 1qsw h ALA 32 N -0.02 1.40 0.60 1.25 0.00 -0.96 0.28 119.26 121.82 1qsw h ALA 32 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1qsw h ALA 32 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1qsw h ALA 32 CO 0.08 0.48 -0.38 -0.22 0.00 0.00 0.00 179.25 179.21 1qsw h LYS 33 N 1.18 -0.90 0.00 0.00 1.63 -0.72 -2.03 116.57 115.73 1qsw h LYS 33 Ca 0.40 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1qsw h LYS 33 Cb 0.07 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1qsw h LYS 33 CO -0.14 -0.60 0.00 -1.49 -3.45 0.00 0.00 179.45 173.77 1qsw h TRP 34 N -0.94 0.00 0.21 1.91 4.06 -1.04 0.15 115.95 120.31 1qsw h TRP 34 Ca -0.07 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.53 1qsw h TRP 34 Cb 0.76 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.94 1qsw h TRP 34 CO -0.11 0.00 -1.62 0.93 -3.56 0.00 0.00 178.44 174.08 1qsw h GLU 35 N 0.00 0.45 0.00 0.49 4.39 -0.42 -3.44 114.58 116.05 1qsw h GLU 35 Ca 0.00 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.94 1qsw h GLU 35 Cb 0.92 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1qsw h GLU 35 CO 0.00 1.36 0.00 -1.13 -1.16 0.00 0.00 179.01 178.08 1qsw n SER 36 N -3.63 0.00 -2.93 1.42 3.41 -0.80 -4.84 113.62 106.25 1qsw n SER 36 Ca -0.21 -1.00 -0.22 0.00 -0.26 0.00 0.00 58.87 57.19 1qsw n SER 36 Cb 1.09 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.06 1qsw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qsw n GLY 37 N 0.00 -0.51 2.97 5.00 0.00 0.51 -2.19 105.19 110.97 1qsw n GLY 37 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 1qsw n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qsw n TYR 38 N -4.30 -1.94 -3.85 1.61 0.53 -1.16 -4.77 117.16 103.28 1qsw n TYR 38 Ca -0.13 0.60 -0.36 0.00 -1.02 0.00 0.00 57.90 57.00 1qsw n TYR 38 Cb 0.62 -4.08 -0.13 0.00 -1.03 0.00 0.00 39.34 34.71 1qsw n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1qsw s ASN 39 N -2.96 4.63 0.52 7.72 2.47 -0.93 0.21 114.94 126.60 1qsw s ASN 39 Ca 0.35 -0.46 0.31 0.00 0.42 0.00 0.00 52.86 53.47 1qsw s ASN 39 Cb -0.15 -1.80 1.31 0.00 -1.45 0.00 0.00 41.25 39.16 1qsw s ASN 39 CO 0.43 -0.07 1.97 0.71 -3.72 0.00 0.00 177.10 176.42 1qsw h THR 40 N 5.74 0.24 -0.00 -5.21 1.35 -1.51 -3.08 112.91 110.44 1qsw h THR 40 Ca -0.38 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1qsw h THR 40 Cb 1.15 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1qsw h THR 40 CO 0.60 0.08 -0.26 0.54 -0.25 0.00 0.00 175.52 176.23 1qsw n ARG 41 N -3.25 0.57 -1.64 4.72 5.12 -1.26 -3.95 116.66 116.98 1qsw n ARG 41 Ca -0.00 -0.29 -0.45 0.00 -1.93 0.00 0.00 57.85 55.18 1qsw n ARG 41 Cb 0.32 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1qsw n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qsw n ALA 42 N -0.96 0.44 -2.94 7.54 0.00 -1.17 -4.78 120.51 118.64 1qsw n ALA 42 Ca 0.11 0.41 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1qsw n ALA 42 Cb 0.33 -2.16 -0.12 0.00 0.00 0.00 0.00 19.45 17.50 1qsw n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qsw s THR 43 N -0.54 0.09 -0.13 0.00 -4.23 -1.26 -0.71 115.64 108.86 1qsw s THR 43 Ca 0.64 -0.65 -0.05 0.00 -1.18 0.00 0.00 61.69 60.45 1qsw s THR 43 Cb -0.69 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 73.02 1qsw s THR 43 CO 0.55 -0.35 0.27 0.21 -0.54 0.00 0.00 174.62 174.77 1qsw s ASN 44 N -1.04 0.13 -0.06 3.99 2.47 -0.75 -4.99 114.94 114.69 1qsw s ASN 44 Ca -0.11 0.61 -0.18 0.00 0.42 0.00 0.00 52.86 53.60 1qsw s ASN 44 Cb -0.07 0.67 -0.05 0.00 -1.45 0.00 0.00 41.25 40.35 1qsw s ASN 44 CO -0.01 -0.22 0.49 -0.47 -3.72 0.00 0.00 177.10 173.17 1qsw s TYR 45 N 2.10 3.61 -0.46 0.43 6.14 -1.26 -0.92 117.35 126.99 1qsw s TYR 45 Ca -0.02 0.99 -0.07 0.00 0.64 0.00 0.00 57.07 58.62 1qsw s TYR 45 Cb -0.11 -2.50 0.12 0.00 0.42 0.00 0.00 41.96 39.89 1qsw s TYR 45 CO -0.09 0.34 0.30 -0.80 0.64 0.00 0.00 175.55 175.94 1qsw s ASN 46 N -0.02 5.54 0.42 4.32 0.01 0.27 -4.96 114.94 120.52 1qsw s ASN 46 Ca 0.27 -2.00 0.08 0.00 -0.71 0.00 0.00 52.86 50.49 1qsw s ASN 46 Cb -0.16 -1.94 0.88 0.00 0.41 0.00 0.00 41.25 40.43 1qsw s ASN 46 CO 0.13 -0.63 2.06 0.00 -1.51 0.00 0.00 177.10 177.15 1qsw h ALA 47 N 8.25 1.72 0.32 0.60 0.00 -1.97 0.32 119.26 128.50 1qsw h ALA 47 Ca -0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1qsw h ALA 47 Cb 1.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1qsw h ALA 47 CO 0.80 0.26 -0.32 0.78 0.00 0.00 0.00 179.25 180.77 1qsw h GLY 48 N 0.53 -0.73 -1.41 0.00 0.00 -1.96 -3.27 103.07 96.23 1qsw h GLY 48 Ca 0.14 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1qsw h GLY 48 CO -0.03 -0.28 0.00 2.09 0.00 0.00 0.00 176.54 178.32 1qsw n ASP 49 N -5.43 2.96 -3.51 0.19 5.68 -1.17 -5.02 116.55 110.25 1qsw n ASP 49 Ca -0.09 -1.96 -0.25 0.00 -0.50 0.00 0.00 54.79 51.99 1qsw n ASP 49 Cb 0.34 -0.24 0.05 0.00 -1.14 0.00 0.00 41.12 40.13 1qsw n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1qsw n ARG 50 N 0.66 -1.73 -4.04 0.11 1.74 0.09 -5.02 116.66 108.48 1qsw n ARG 50 Ca 0.13 0.63 -0.10 0.00 -0.77 0.00 0.00 57.85 57.73 1qsw n ARG 50 Cb 0.44 -4.84 -0.07 0.00 -1.02 0.00 0.00 32.46 26.96 1qsw n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qsw s SER 51 N -3.46 0.05 -0.02 0.55 1.04 -1.19 -5.01 113.70 105.67 1qsw s SER 51 Ca 0.46 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.90 1qsw s SER 51 Cb -0.12 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1qsw s SER 51 CO 0.81 -0.94 -0.16 -0.89 0.98 0.00 0.00 173.24 173.04 1qsw s THR 52 N -4.04 1.27 -0.15 2.02 2.01 -1.26 -0.56 115.64 114.93 1qsw s THR 52 Ca 0.25 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.47 1qsw s THR 52 Cb 0.03 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1qsw s THR 52 CO 0.06 0.36 0.18 -1.81 -0.69 0.00 0.00 174.62 172.72 1qsw s ASP 53 N -0.25 6.35 0.04 3.53 1.01 -0.10 0.13 116.67 127.38 1qsw s ASP 53 Ca 0.03 0.41 0.08 0.00 0.71 0.00 0.00 52.55 53.78 1qsw s ASP 53 Cb -0.08 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.72 1qsw s ASP 53 CO 0.00 0.24 -0.23 -0.31 0.21 0.00 0.00 175.17 175.08 1qsw s TYR 54 N -0.14 2.05 0.00 4.23 2.02 0.15 -1.81 117.35 123.85 1qsw s TYR 54 Ca 0.13 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1qsw s TYR 54 Cb -0.12 -1.24 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 1qsw s TYR 54 CO 0.02 0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1qsw n GLY 55 N 1.91 0.93 0.34 0.71 0.00 0.11 -1.26 105.19 107.93 1qsw n GLY 55 Ca -0.17 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.17 1qsw n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qsw h ILE 56 N 0.00 1.02 -0.07 -0.61 2.10 -1.67 -1.75 117.51 116.53 1qsw h ILE 56 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1qsw h ILE 56 Cb 0.00 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 1qsw h ILE 56 CO 0.00 0.11 0.00 0.49 -1.08 0.00 0.00 178.15 177.67 1qsw n PHE 57 N -4.47 0.06 -3.53 2.19 3.01 -1.26 -4.16 117.46 109.30 1qsw n PHE 57 Ca 0.08 -0.04 -0.22 0.00 1.01 0.00 0.00 57.45 58.28 1qsw n PHE 57 Cb 0.20 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.72 1qsw n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1qsw n GLN 58 N 1.21 -3.01 -2.77 -1.08 1.13 -0.57 -4.93 117.38 107.35 1qsw n GLN 58 Ca 0.13 0.67 -0.42 0.00 -1.94 0.00 0.00 57.00 55.44 1qsw n GLN 58 Cb 0.53 -5.11 -0.03 0.00 0.11 0.00 0.00 30.24 25.74 1qsw n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qsw s ILE 59 N -3.49 4.89 0.52 5.09 1.01 -0.39 -4.43 121.20 124.39 1qsw s ILE 59 Ca 0.30 1.93 -0.22 0.00 0.00 0.00 0.00 60.65 62.65 1qsw s ILE 59 Cb -0.07 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 1qsw s ILE 59 CO 0.80 0.14 1.32 0.21 0.00 0.00 0.00 174.94 177.41 1qsw s ASN 60 N 1.00 5.50 0.58 3.58 3.84 -1.26 0.32 114.94 128.50 1qsw s ASN 60 Ca 0.48 2.68 0.28 0.00 0.21 0.00 0.00 52.86 56.50 1qsw s ASN 60 Cb -0.20 -2.63 1.69 0.00 -0.55 0.00 0.00 41.25 39.56 1qsw s ASN 60 CO 0.24 -1.40 2.17 0.77 -2.79 0.00 0.00 177.10 176.09 1qsw h SER 61 N 1.64 0.00 -0.47 -4.21 4.64 0.73 -2.25 113.55 113.65 1qsw h SER 61 Ca -0.51 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1qsw h SER 61 Cb 1.29 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1qsw h SER 61 CO 0.58 0.00 0.32 0.08 -0.87 0.00 0.00 176.83 176.95 1qsw h ARG 62 N 0.00 0.14 0.00 4.77 0.11 -1.90 0.37 114.38 117.87 1qsw h ARG 62 Ca 0.04 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1qsw h ARG 62 Cb 0.23 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.28 1qsw h ARG 62 CO -0.00 0.10 -0.03 1.88 0.10 0.00 0.00 179.97 182.01 1qsw h TYR 63 N 0.15 0.00 0.00 4.08 0.05 -1.77 -3.40 116.97 116.08 1qsw h TYR 63 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1qsw h TYR 63 Cb 0.67 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.41 1qsw h TYR 63 CO -0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 178.16 176.72 1qsw n ALA 65 N -0.93 0.57 -2.65 0.00 0.00 0.11 -3.67 120.51 113.94 1qsw n ALA 65 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 53.44 51.66 1qsw n ALA 65 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1qsw n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qsw n ASN 66 N -2.02 6.57 -2.40 0.00 4.05 -1.26 -4.89 115.26 115.30 1qsw n ASN 66 Ca 0.01 -3.38 -0.01 0.00 0.45 0.00 0.00 54.58 51.65 1qsw n ASN 66 Cb 0.39 -1.30 -0.01 0.00 1.23 0.00 0.00 39.78 40.08 1qsw n ASN 66 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1qsw n ASP 67 N 1.59 0.39 0.00 1.20 4.64 -1.26 -4.88 116.55 118.23 1qsw n ASP 67 Ca 0.38 -1.51 0.00 0.00 -1.38 0.00 0.00 54.79 52.28 1qsw n ASP 67 Cb 0.31 -0.10 0.00 0.00 -1.04 0.00 0.00 41.12 40.29 1qsw n ASP 67 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1qsw n GLY 68 N 2.84 0.35 0.00 0.27 0.00 -1.26 -4.77 105.19 102.62 1qsw n GLY 68 Ca 0.03 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1qsw n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qsw n LYS 69 N 0.00 0.00 -3.10 1.61 5.02 -1.26 -4.79 118.16 115.64 1qsw n LYS 69 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 1qsw n LYS 69 Cb 0.00 -0.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1qsw n LYS 69 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1qsw n THR 70 N -0.19 1.34 -1.48 -0.18 -1.04 -1.26 -5.09 114.28 106.38 1qsw n THR 70 Ca 0.00 -5.01 -0.07 0.00 -2.04 0.00 0.00 64.05 56.93 1qsw n THR 70 Cb 0.00 -0.99 0.04 0.00 -1.82 0.00 0.00 70.33 67.56 1qsw n THR 70 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1qsw n PRO 71 N 0.18 -0.14 -2.38 -2.82 -0.02 -1.26 -5.10 135.00 123.46 1qsw n PRO 71 Ca 0.28 -0.53 -0.25 0.00 -2.02 0.00 0.00 63.50 60.98 1qsw n PRO 71 Cb 0.52 -0.29 0.10 0.00 -0.02 0.00 0.00 33.50 33.81 1qsw n PRO 71 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1qsw s GLY 72 N -3.55 1.75 -0.04 -1.23 0.00 -1.26 -5.12 107.32 97.88 1qsw s GLY 72 Ca 0.18 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1qsw s GLY 72 CO 0.12 -0.84 0.01 0.00 0.00 0.00 0.00 173.10 172.39 1qsw s ALA 73 N -3.23 3.32 0.08 3.20 0.00 -1.26 -5.10 121.76 118.77 1qsw s ALA 73 Ca 0.64 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1qsw s ALA 73 Cb -0.08 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 1qsw s ALA 73 CO 0.45 0.62 0.05 1.33 0.00 0.00 0.00 175.76 178.21 1qsw n VAL 74 N 1.73 0.00 -2.77 0.00 0.24 -1.26 -5.04 118.33 111.23 1qsw n VAL 74 Ca -0.16 -0.55 -0.44 0.00 -2.04 0.00 0.00 64.34 61.15 1qsw n VAL 74 Cb 0.53 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1qsw n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1qsw n ASN 75 N -2.39 5.15 -4.77 -1.34 4.05 -1.26 -4.99 115.26 109.71 1qsw n ASN 75 Ca 0.00 -3.00 -0.41 0.00 0.45 0.00 0.00 54.58 51.63 1qsw n ASN 75 Cb 0.14 -1.57 -0.02 0.00 1.23 0.00 0.00 39.78 39.56 1qsw n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qsw s ALA 76 N 1.57 3.49 0.75 5.20 0.00 -1.26 -4.57 121.76 126.94 1qsw s ALA 76 Ca 0.43 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.53 1qsw s ALA 76 Cb 0.01 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1qsw s ALA 76 CO 0.01 -0.62 1.08 0.00 0.00 0.00 0.00 175.76 176.23 1qsw n HIS 78 N -3.25 3.37 -3.81 0.00 8.25 -1.26 -4.78 115.22 113.74 1qsw n HIS 78 Ca 0.07 -3.81 -0.08 0.00 -0.26 0.00 0.00 57.72 53.64 1qsw n HIS 78 Cb 0.55 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 1qsw n HIS 78 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1qsw s LEU 79 N -2.38 -0.13 0.29 2.41 0.05 -1.26 -5.15 118.68 112.51 1qsw s LEU 79 Ca 0.36 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.98 1qsw s LEU 79 Cb 0.09 2.44 -0.03 0.00 -2.05 0.00 0.00 46.19 46.64 1qsw s LEU 79 CO -0.01 -1.22 0.48 -0.94 -0.55 0.00 0.00 176.35 174.11 1qsw s SER 80 N -2.91 6.32 0.37 1.48 1.04 -1.26 -4.77 113.70 113.97 1qsw s SER 80 Ca 0.11 0.37 0.13 0.00 0.48 0.00 0.00 55.95 57.04 1qsw s SER 80 Cb -0.04 -1.99 0.95 0.00 0.10 0.00 0.00 66.02 65.04 1qsw s SER 80 CO 0.03 -0.19 1.83 0.00 0.98 0.00 0.00 173.24 175.89 1qsw h SER 82 N 0.55 0.58 0.01 0.00 0.02 -1.94 -0.07 113.55 112.71 1qsw h SER 82 Ca 0.51 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 1qsw h SER 82 Cb 1.06 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1qsw h SER 82 CO -0.25 0.39 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1qsw h ALA 83 N 1.65 1.00 -0.01 3.77 0.00 -1.55 -0.28 119.26 123.84 1qsw h ALA 83 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qsw h ALA 83 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qsw h ALA 83 CO -0.08 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.38 1qsw n LEU 84 N -2.45 0.63 -0.08 0.00 4.77 -0.04 -3.77 117.00 116.06 1qsw n LEU 84 Ca -0.02 -0.12 0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1qsw n LEU 84 Cb 0.05 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1qsw n LEU 84 CO 0.12 0.11 0.03 0.18 -1.33 0.00 0.00 177.39 176.51 1qsw n LEU 85 N -0.70 0.88 -4.63 2.23 4.32 -0.12 -3.71 117.00 115.27 1qsw n LEU 85 Ca 0.17 -0.56 -0.32 0.00 -0.02 0.00 0.00 56.01 55.27 1qsw n LEU 85 Cb 0.26 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.21 1qsw n LEU 85 CO 0.21 0.20 0.57 0.00 -1.22 0.00 0.00 177.39 177.15 1qsw n GLN 86 N -1.05 -0.16 0.01 3.23 6.02 -1.25 -4.23 117.38 119.95 1qsw n GLN 86 Ca 0.04 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 1qsw n GLN 86 Cb 0.24 -2.29 0.06 0.00 1.02 0.00 0.00 30.24 29.27 1qsw n GLN 86 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1qsw h ASP 87 N -1.40 0.59 -3.46 1.08 3.32 -1.93 -3.41 116.42 111.21 1qsw h ASP 87 Ca -0.44 -0.31 -0.60 0.00 0.02 0.00 0.00 57.03 55.69 1qsw h ASP 87 Cb 1.29 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.57 1qsw h ASP 87 CO 0.42 1.02 0.50 0.21 -1.72 0.00 0.00 179.24 179.67 1qsw s ASN 88 N -6.91 6.67 -0.00 6.45 3.84 -1.26 -4.90 114.94 118.82 1qsw s ASN 88 Ca -0.07 0.60 0.09 0.00 0.21 0.00 0.00 52.86 53.69 1qsw s ASN 88 Cb 0.11 -2.44 0.27 0.00 -0.55 0.00 0.00 41.25 38.65 1qsw s ASN 88 CO 0.84 -0.75 1.21 2.30 -2.79 0.00 0.00 177.10 177.91 1qsw n ILE 89 N 5.77 0.44 -0.06 -5.21 -5.35 -1.26 -4.47 119.36 109.22 1qsw n ILE 89 Ca 0.05 -0.41 -0.08 0.00 -0.27 0.00 0.00 62.75 62.04 1qsw n ILE 89 Cb 0.48 0.17 -0.01 0.00 -1.74 0.00 0.00 39.64 38.54 1qsw n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qsw h ALA 90 N 3.52 -0.09 -0.71 -1.28 0.00 -1.96 0.37 119.26 119.11 1qsw h ALA 90 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1qsw h ALA 90 Cb 0.44 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1qsw h ALA 90 CO 0.01 -0.65 0.35 -0.44 0.00 0.00 0.00 179.25 178.52 1qsw h ASP 91 N -0.23 0.91 -0.39 0.00 3.32 -1.90 -2.16 116.42 115.98 1qsw h ASP 91 Ca 0.14 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1qsw h ASP 91 Cb 0.45 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1qsw h ASP 91 CO -0.40 0.76 -0.11 0.00 -1.72 0.00 0.00 179.24 177.78 1qsw h ALA 92 N 1.38 0.53 -0.81 3.45 0.00 -1.43 -1.18 119.26 121.21 1qsw h ALA 92 Ca 0.25 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qsw h ALA 92 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1qsw h ALA 92 CO -0.03 0.41 0.51 0.28 0.00 0.00 0.00 179.25 180.41 1qsw h VAL 93 N 0.56 1.22 -0.26 0.00 2.07 0.07 -0.79 116.25 119.12 1qsw h VAL 93 Ca 0.10 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1qsw h VAL 93 Cb 0.63 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1qsw h VAL 93 CO 0.04 0.23 0.17 0.00 0.02 0.00 0.00 177.57 178.03 1qsw h ALA 94 N 1.27 0.33 -0.10 1.67 0.00 -1.31 -1.28 119.26 119.84 1qsw h ALA 94 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1qsw h ALA 94 Cb -0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qsw h ALA 94 CO -0.06 -0.20 0.05 0.00 0.00 0.00 0.00 179.25 179.04 1qsw h ALA 96 N 0.91 1.75 -0.65 0.00 0.00 -0.86 0.22 119.26 120.63 1qsw h ALA 96 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1qsw h ALA 96 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1qsw h ALA 96 CO -0.00 0.11 0.19 0.87 0.00 0.00 0.00 179.25 180.41 1qsw h LYS 97 N 0.72 0.99 0.30 0.00 1.57 -0.99 -1.42 116.57 117.75 1qsw h LYS 97 Ca 0.34 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1qsw h LYS 97 Cb 0.37 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1qsw h LYS 97 CO -0.12 0.86 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.38 1qsw h ARG 98 N 0.96 -0.39 -0.28 3.15 9.65 0.08 -3.25 114.38 124.29 1qsw h ARG 98 Ca 0.21 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.18 1qsw h ARG 98 Cb 0.29 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.88 1qsw h ARG 98 CO -0.01 -0.13 -0.32 0.28 2.80 0.00 0.00 179.97 182.59 1qsw h VAL 99 N -0.61 0.26 0.00 0.20 2.07 -0.85 -1.95 116.25 115.37 1qsw h VAL 99 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1qsw h VAL 99 Cb 0.44 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1qsw h VAL 99 CO 0.07 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.29 1qsw h VAL 100 N -0.31 0.00 0.00 2.57 -1.51 -1.30 -1.17 116.25 114.53 1qsw h VAL 100 Ca 0.14 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.57 1qsw h VAL 100 Cb 0.53 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1qsw h VAL 100 CO -0.46 0.00 -0.15 0.03 -1.23 0.00 0.00 177.57 175.76 1qsw h ARG 101 N 0.00 0.00 -6.45 5.19 3.08 -1.39 -3.33 114.38 111.48 1qsw h ARG 101 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1qsw h ARG 101 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1qsw h ARG 101 CO 0.00 0.15 0.43 -0.51 -1.07 0.00 0.00 179.97 178.97 1qsw s ASP 102 N -6.16 7.29 0.00 7.04 1.01 -0.44 -4.88 116.67 120.52 1qsw s ASP 102 Ca 0.04 1.79 0.00 0.00 0.71 0.00 0.00 52.55 55.09 1qsw s ASP 102 Cb 0.07 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.43 1qsw s ASP 102 CO 0.66 -0.30 0.00 -2.65 0.21 0.00 0.00 175.17 173.08 1qsw n PRO 103 N 3.77 0.00 0.08 8.23 -0.02 -1.26 -0.73 135.00 145.07 1qsw n PRO 103 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1qsw n PRO 103 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.94 1qsw n PRO 103 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1qsw h GLN 104 N 0.00 0.18 0.00 -0.52 4.20 -1.90 -3.50 115.11 113.58 1qsw h GLN 104 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1qsw h GLN 104 Cb 0.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1qsw h GLN 104 CO 0.00 0.99 0.00 0.41 -0.67 0.00 0.00 178.83 179.56 1qsw n GLY 105 N 1.01 0.65 0.33 3.46 0.00 0.09 -2.69 105.19 108.05 1qsw n GLY 105 Ca -0.04 -0.78 0.20 0.00 0.00 0.00 0.00 46.02 45.40 1qsw n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qsw h ILE 106 N 0.00 0.12 0.00 -0.61 6.09 -1.91 -1.44 117.51 119.76 1qsw h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1qsw h ILE 106 Cb 0.00 0.92 0.00 0.00 0.47 0.00 0.00 36.82 38.21 1qsw h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1qsw n ARG 107 N -3.22 0.07 -0.10 2.19 1.74 -1.10 -2.86 116.66 113.38 1qsw n ARG 107 Ca -0.02 0.33 0.08 0.00 -0.77 0.00 0.00 57.85 57.46 1qsw n ARG 107 Cb 0.16 -1.63 0.43 0.00 -1.02 0.00 0.00 32.46 30.39 1qsw n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qsw h ALA 108 N 2.39 1.82 -2.55 7.54 0.00 -1.34 -3.39 119.26 123.74 1qsw h ALA 108 Ca 0.00 -0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.26 1qsw h ALA 108 Cb 0.27 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 17.78 1qsw h ALA 108 CO 0.00 0.08 -0.06 -1.58 0.00 0.00 0.00 179.25 177.69 1qsw s TRP 109 N -5.52 3.23 0.35 0.00 0.51 -1.13 -4.94 118.94 111.43 1qsw s TRP 109 Ca -0.09 0.43 0.27 0.00 -2.12 0.00 0.00 56.10 54.58 1qsw s TRP 109 Cb 0.19 -2.79 1.33 0.00 -0.81 0.00 0.00 33.47 31.40 1qsw s TRP 109 CO 0.75 -0.38 2.02 0.28 -0.51 0.00 0.00 176.95 179.11 1qsw h VAL 110 N 5.48 0.57 -0.25 4.03 2.07 -1.89 -1.98 116.25 124.29 1qsw h VAL 110 Ca -0.29 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1qsw h VAL 110 Cb 1.14 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1qsw h VAL 110 CO 0.73 0.14 0.13 0.00 0.02 0.00 0.00 177.57 178.59 1qsw h ALA 111 N 1.85 0.32 -0.37 1.67 0.00 -1.94 -1.40 119.26 119.39 1qsw h ALA 111 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qsw h ALA 111 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1qsw h ALA 111 CO 0.02 -0.15 0.17 2.35 0.00 0.00 0.00 179.25 181.64 1qsw h TRP 112 N 0.29 0.55 -0.46 0.00 7.01 -1.67 0.49 115.95 122.16 1qsw h TRP 112 Ca 0.09 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1qsw h TRP 112 Cb 0.07 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1qsw h TRP 112 CO -0.03 0.47 0.29 0.00 -2.79 0.00 0.00 178.44 176.38 1qsw h ARG 113 N 0.46 0.58 0.06 2.65 3.08 -1.41 0.60 114.38 120.41 1qsw h ARG 113 Ca 0.13 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1qsw h ARG 113 Cb 0.13 -0.13 0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qsw h ARG 113 CO -0.01 0.38 -0.95 -0.91 -1.07 0.00 0.00 179.97 177.41 1qsw h ASN 114 N 0.60 0.73 0.02 7.04 4.21 -1.20 -3.34 115.58 123.63 1qsw h ASN 114 Ca 0.17 -0.80 -0.09 0.00 1.21 0.00 0.00 56.30 56.79 1qsw h ASN 114 Cb -0.05 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 36.91 1qsw h ASN 114 CO -0.05 1.45 -2.08 0.54 -1.29 0.00 0.00 177.43 176.00 1qsw n ARG 115 N -3.98 0.67 -0.04 0.81 3.00 0.16 -4.82 116.66 112.44 1qsw n ARG 115 Ca -0.12 -0.15 -0.08 0.00 -0.01 0.00 0.00 57.85 57.49 1qsw n ARG 115 Cb 0.85 -1.53 -0.03 0.00 0.00 0.00 0.00 32.46 31.75 1qsw n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qsw n GLN 117 N -3.15 0.93 -0.95 0.00 7.27 0.38 -0.78 117.38 121.07 1qsw n GLN 117 Ca -0.16 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1qsw n GLN 117 Cb 0.63 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.38 1qsw n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qsw n ASN 118 N 2.21 -5.18 -4.92 1.69 3.02 -1.26 -4.93 115.26 105.88 1qsw n ASN 118 Ca 0.18 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 1qsw n ASN 118 Cb 0.19 -3.20 -0.02 0.00 -0.61 0.00 0.00 39.78 36.14 1qsw n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qsw s ARG 119 N -1.77 2.72 -0.82 3.52 0.52 0.04 -5.04 118.95 118.12 1qsw s ARG 119 Ca 0.00 -1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 53.61 1qsw s ARG 119 Cb 0.00 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.92 1qsw s ARG 119 CO 0.00 -0.13 1.62 0.34 0.02 0.00 0.00 175.30 177.16 1qsw s ASP 120 N -4.17 5.79 0.00 0.23 -1.08 -1.26 -4.83 116.67 111.35 1qsw s ASP 120 Ca 0.48 -0.56 0.24 0.00 -0.52 0.00 0.00 52.55 52.19 1qsw s ASP 120 Cb -0.06 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.14 1qsw s ASP 120 CO 0.29 -2.10 1.27 1.33 0.52 0.00 0.00 175.17 176.48 1qsw n VAL 121 N 7.06 0.00 -0.04 1.11 0.24 -1.26 -4.28 118.33 121.16 1qsw n VAL 121 Ca 0.23 -0.04 0.03 0.00 -2.04 0.00 0.00 64.34 62.53 1qsw n VAL 121 Cb 0.50 0.56 0.38 0.00 -1.47 0.00 0.00 33.84 33.81 1qsw n VAL 121 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1qsw h ARG 122 N 0.37 0.63 -1.01 7.34 0.11 -1.90 -2.18 114.38 117.75 1qsw h ARG 122 Ca 0.00 -0.04 0.26 0.00 0.10 0.00 0.00 59.98 60.30 1qsw h ARG 122 Cb 0.52 -0.14 -0.07 0.00 1.11 0.00 0.00 29.97 31.39 1qsw h ARG 122 CO 0.00 0.42 0.67 -0.56 0.10 0.00 0.00 179.97 180.61 1qsw h GLN 123 N 0.65 0.29 0.00 0.08 3.07 -1.97 0.71 115.11 117.94 1qsw h GLN 123 Ca 0.17 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.85 1qsw h GLN 123 Cb -0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 1qsw h GLN 123 CO -0.04 0.19 -0.21 1.88 0.09 0.00 0.00 178.83 180.74 1qsw h TYR 124 N 0.30 0.00 -0.01 0.06 0.05 -1.70 -3.03 116.97 112.63 1qsw h TYR 124 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1qsw h TYR 124 Cb 1.55 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.29 1qsw h TYR 124 CO -0.00 0.21 -0.20 1.33 -1.05 0.00 0.00 178.16 178.45 1qsw n VAL 125 N -3.80 0.00 -1.70 -2.88 0.24 0.12 -4.81 118.33 105.49 1qsw n VAL 125 Ca -0.02 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.45 1qsw n VAL 125 Cb 0.31 1.16 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 1qsw n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qsw n GLN 126 N -0.04 2.59 -1.10 7.34 0.00 -0.46 -2.35 117.38 123.36 1qsw n GLN 126 Ca 0.05 0.94 -0.04 0.00 0.00 0.00 0.00 57.00 57.95 1qsw n GLN 126 Cb 0.26 -2.76 -0.02 0.00 0.00 0.00 0.00 30.24 27.72 1qsw n GLN 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qsw n GLY 127 N 3.78 0.61 0.56 2.61 0.00 -1.26 -4.92 105.19 106.57 1qsw n GLY 127 Ca 0.16 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1qsw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsw n GLY 129 N 1.23 -0.53 0.32 0.00 0.00 -1.26 -4.81 105.19 100.13 1qsw n GLY 129 Ca 0.17 0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.43 1qsw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65