#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 4.14 0.47 3.15 1.01 -1.26 -1.14 120.40 126.77 1qsw s VAL 2 Ca 0.00 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1qsw s VAL 2 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.05 1qsw s VAL 2 CO 0.00 -0.09 1.05 -0.36 0.00 0.00 0.00 175.10 175.71 1qsw s PHE 3 N 1.49 3.03 0.36 5.22 0.08 -0.24 -5.00 117.98 122.93 1qsw s PHE 3 Ca 0.01 1.59 -0.16 0.00 0.12 0.00 0.00 56.93 58.49 1qsw s PHE 3 Cb -0.18 -3.11 -0.09 0.00 -0.57 0.00 0.00 43.02 39.06 1qsw s PHE 3 CO 0.04 -0.87 0.80 -1.21 -0.10 0.00 0.00 175.22 173.87 1qsw s GLU 4 N -3.03 4.04 0.13 0.44 0.41 -1.26 -4.87 118.70 114.55 1qsw s GLU 4 Ca 0.65 0.77 -0.27 0.00 -0.41 0.00 0.00 54.97 55.70 1qsw s GLU 4 Cb -0.19 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 29.75 1qsw s GLU 4 CO 0.23 0.09 1.61 -0.09 -0.49 0.00 0.00 175.26 176.60 1qsw h ARG 5 N 2.06 -0.46 -0.16 1.61 2.43 -1.96 -2.12 114.38 115.78 1qsw h ARG 5 Ca -0.48 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.65 1qsw h ARG 5 Cb 1.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1qsw h ARG 5 CO 0.64 -0.30 -0.24 0.00 -1.51 0.00 0.00 179.97 178.56 1qsw h GLU 7 N 0.26 0.52 -0.11 0.00 4.81 -1.92 0.21 114.58 118.34 1qsw h GLU 7 Ca 0.04 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1qsw h GLU 7 Cb 0.57 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1qsw h GLU 7 CO 0.04 0.34 -0.20 1.25 -0.73 0.00 0.00 179.01 179.71 1qsw h LEU 8 N 0.53 0.36 -0.68 1.64 5.85 -0.94 0.49 115.31 122.57 1qsw h LEU 8 Ca 0.18 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1qsw h LEU 8 Cb 0.03 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 1qsw h LEU 8 CO -0.09 0.85 0.30 0.00 -0.34 0.00 0.00 178.44 179.15 1qsw h ALA 9 N 0.52 0.92 -0.33 1.25 0.00 -0.45 0.34 119.26 121.51 1qsw h ALA 9 Ca 0.01 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1qsw h ALA 9 Cb 0.78 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1qsw h ALA 9 CO 0.05 -0.13 -0.32 0.00 0.00 0.00 0.00 179.25 178.84 1qsw h ARG 10 N 0.50 0.72 -0.48 0.00 3.08 -0.56 -1.65 114.38 116.00 1qsw h ARG 10 Ca 0.34 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1qsw h ARG 10 Cb 0.41 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1qsw h ARG 10 CO -0.30 0.94 -0.15 1.15 -1.07 0.00 0.00 179.97 180.54 1qsw h THR 11 N 0.61 1.27 -0.41 2.04 2.02 0.42 -1.98 112.91 116.88 1qsw h THR 11 Ca 0.07 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.89 1qsw h THR 11 Cb 0.84 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1qsw h THR 11 CO 0.07 0.45 0.00 -0.07 0.37 0.00 0.00 175.52 176.34 1qsw h LEU 12 N 0.79 0.62 -0.07 2.58 3.38 -0.27 -2.69 115.31 119.65 1qsw h LEU 12 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qsw h LEU 12 Cb 0.71 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qsw h LEU 12 CO 0.05 0.69 0.04 0.50 0.09 0.00 0.00 178.44 179.81 1qsw h LYS 13 N 0.62 0.10 -0.72 1.13 1.63 -1.12 -2.40 116.57 115.81 1qsw h LYS 13 Ca 0.13 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.96 1qsw h LYS 13 Cb 0.39 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 1qsw h LYS 13 CO 0.01 0.18 0.47 -0.09 -3.45 0.00 0.00 179.45 176.58 1qsw h ARG 14 N -0.00 0.78 0.00 1.90 2.43 -1.25 -2.55 114.38 115.69 1qsw h ARG 14 Ca 0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1qsw h ARG 14 Cb 0.11 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1qsw h ARG 14 CO -0.00 0.52 0.00 1.28 -1.51 0.00 0.00 179.97 180.26 1qsw n LEU 15 N -4.47 0.00 0.00 3.80 4.77 -1.03 -4.91 117.00 115.16 1qsw n LEU 15 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1qsw n LEU 15 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1qsw n LEU 15 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1qsw n GLY 16 N 0.93 0.70 0.10 -0.72 0.00 -0.96 -4.98 105.19 100.25 1qsw n GLY 16 Ca 0.21 -0.71 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.00 -6.13 1.61 2.86 -1.62 -3.41 114.93 108.24 1qsw h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1qsw h MET 17 Cb 0.70 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 1qsw h MET 17 CO 0.00 0.42 1.38 0.34 1.06 0.00 0.00 176.91 180.10 1qsw s ASP 18 N -6.02 5.81 0.00 1.22 2.15 -1.26 -1.29 116.67 117.28 1qsw s ASP 18 Ca -0.02 1.96 0.00 0.00 0.43 0.00 0.00 52.55 54.93 1qsw s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1qsw s ASP 18 CO 0.80 -1.67 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1qsw n GLY 19 N 5.35 0.79 3.67 2.66 0.00 0.66 -4.93 105.19 113.39 1qsw n GLY 19 Ca 0.26 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 2.27 -2.99 1.61 9.36 -0.41 0.28 117.16 124.87 1qsw n TYR 20 Ca 0.00 0.01 -0.22 0.00 3.32 0.00 0.00 57.90 61.02 1qsw n TYR 20 Cb 0.00 -2.66 0.02 0.00 -0.63 0.00 0.00 39.34 36.07 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 6.81 -4.05 -1.06 2.98 5.12 -1.26 -0.89 116.66 124.30 1qsw n ARG 21 Ca 0.24 0.80 -0.02 0.00 -1.93 0.00 0.00 57.85 56.94 1qsw n ARG 21 Cb 0.29 -5.60 -0.01 0.00 -1.16 0.00 0.00 32.46 25.99 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 -1.34 0.47 3.64 -0.13 0.00 0.14 -4.99 105.19 102.99 1qsw n GLY 22 Ca -0.11 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.75 5.19 0.69 -0.61 1.01 -0.07 -4.90 121.20 120.76 1qsw s ILE 23 Ca 0.00 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.19 1qsw s ILE 23 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1qsw s ILE 23 CO 0.00 0.21 1.06 -0.94 0.00 0.00 0.00 174.94 175.27 1qsw s SER 24 N 1.30 5.41 0.22 3.58 1.04 -1.26 -0.24 113.70 123.74 1qsw s SER 24 Ca 0.17 1.64 -0.09 0.00 0.48 0.00 0.00 55.95 58.15 1qsw s SER 24 Cb -0.15 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.64 1qsw s SER 24 CO 0.09 -1.42 1.86 0.25 0.98 0.00 0.00 173.24 174.99 1qsw h LEU 25 N -0.61 0.97 -1.51 2.42 5.85 -1.92 -1.51 115.31 119.01 1qsw h LEU 25 Ca -0.44 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1qsw h LEU 25 Cb 1.21 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1qsw h LEU 25 CO 0.57 0.75 0.03 0.00 -0.34 0.00 0.00 178.44 179.45 1qsw h ALA 26 N 1.26 1.61 -0.26 1.25 0.00 -1.93 -0.61 119.26 120.59 1qsw h ALA 26 Ca 0.29 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1qsw h ALA 26 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1qsw h ALA 26 CO -0.05 0.29 -0.54 -0.91 0.00 0.00 0.00 179.25 178.04 1qsw h ASN 27 N 0.34 0.93 -0.15 0.00 2.35 -1.70 -0.25 115.58 117.10 1qsw h ASN 27 Ca 0.08 -0.54 -0.11 0.00 -0.55 0.00 0.00 56.30 55.18 1qsw h ASN 27 Cb 0.18 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1qsw h ASN 27 CO 0.00 1.30 -0.28 -0.50 -1.65 0.00 0.00 177.43 176.30 1qsw h TRP 28 N 0.59 0.71 -0.28 1.19 -0.00 -0.89 -1.56 115.95 115.72 1qsw h TRP 28 Ca 0.01 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.89 58.66 1qsw h TRP 28 Cb 1.15 -0.17 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1qsw h TRP 28 CO 0.08 0.84 -0.11 0.52 -0.00 0.00 0.00 178.44 179.76 1qsw h MET 29 N 0.54 0.56 -0.57 0.49 2.86 -1.02 -2.08 114.93 115.71 1qsw h MET 29 Ca 0.07 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1qsw h MET 29 Cb 0.75 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1qsw h MET 29 CO 0.06 0.79 0.37 0.00 1.06 0.00 0.00 176.91 179.20 1qsw h LEU 31 N 0.77 -0.97 -1.28 0.00 5.85 -1.21 -2.12 115.31 116.36 1qsw h LEU 31 Ca 0.21 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1qsw h LEU 31 Cb -0.08 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1qsw h LEU 31 CO -0.04 -0.55 0.51 0.00 -0.34 0.00 0.00 178.44 178.01 1qsw h ALA 32 N -0.49 1.55 0.08 1.25 0.00 -1.22 0.12 119.26 120.55 1qsw h ALA 32 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qsw h ALA 32 Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qsw h ALA 32 CO 0.02 0.37 -0.04 -0.22 0.00 0.00 0.00 179.25 179.38 1qsw h LYS 33 N 0.94 -0.10 0.00 0.00 1.63 -0.81 -1.45 116.57 116.77 1qsw h LYS 33 Ca 0.31 0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.94 1qsw h LYS 33 Cb 0.06 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1qsw h LYS 33 CO -0.09 -0.03 -0.83 -1.49 -3.45 0.00 0.00 179.45 173.56 1qsw h TRP 34 N -0.15 0.00 0.05 1.91 4.06 -0.83 -0.54 115.95 120.45 1qsw h TRP 34 Ca -0.01 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.79 1qsw h TRP 34 Cb 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1qsw h TRP 34 CO -0.06 0.83 -0.62 0.93 -3.56 0.00 0.00 178.44 175.97 1qsw h GLU 35 N 0.00 0.33 0.00 0.49 4.39 -0.80 -3.43 114.58 115.56 1qsw h GLU 35 Ca -0.01 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1qsw h GLU 35 Cb 1.62 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1qsw h GLU 35 CO 0.11 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.96 1qsw n SER 36 N -4.23 0.21 -2.65 1.42 3.41 -0.59 -4.87 113.62 106.32 1qsw n SER 36 Ca -0.12 -0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 57.62 1qsw n SER 36 Cb 0.70 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.13 -0.31 2.68 5.00 0.00 -0.21 -2.56 105.19 109.93 1qsw n GLY 37 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.37 -1.45 -3.83 1.61 0.53 -1.17 -4.81 117.16 103.68 1qsw n TYR 38 Ca -0.07 0.21 -0.36 0.00 -1.02 0.00 0.00 57.90 56.66 1qsw n TYR 38 Cb 0.59 -3.92 -0.12 0.00 -1.03 0.00 0.00 39.34 34.86 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 -2.32 5.19 0.28 7.72 3.84 -1.06 -1.07 114.94 127.52 1qsw s ASN 39 Ca 0.13 -0.16 0.06 0.00 0.21 0.00 0.00 52.86 53.11 1qsw s ASN 39 Cb -0.06 -1.92 0.39 0.00 -0.55 0.00 0.00 41.25 39.10 1qsw s ASN 39 CO 0.16 0.01 1.65 0.71 -2.79 0.00 0.00 177.10 176.84 1qsw h THR 40 N 5.42 1.34 -0.00 -5.21 1.35 -1.46 -3.18 112.91 111.18 1qsw h THR 40 Ca -0.37 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 1qsw h THR 40 Cb 1.18 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1qsw h THR 40 CO 0.60 0.51 -0.03 0.54 -0.25 0.00 0.00 175.52 176.88 1qsw n ARG 41 N -3.96 0.58 -1.67 4.72 5.12 -1.26 -3.87 116.66 116.32 1qsw n ARG 41 Ca -0.02 -0.07 -0.45 0.00 -1.93 0.00 0.00 57.85 55.38 1qsw n ARG 41 Cb 0.53 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.15 1.09 -2.89 7.54 0.00 -1.20 -4.79 120.51 119.10 1qsw n ALA 42 Ca 0.15 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.92 1qsw n ALA 42 Cb 0.24 -2.28 -0.11 0.00 0.00 0.00 0.00 19.45 17.30 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 0.07 0.12 -0.14 0.00 -4.23 -1.26 -0.88 115.64 109.33 1qsw s THR 43 Ca 0.70 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1qsw s THR 43 Cb -0.66 -0.41 0.07 0.00 1.34 0.00 0.00 72.50 72.84 1qsw s THR 43 CO 0.48 -0.55 0.27 0.21 -0.54 0.00 0.00 174.62 174.49 1qsw s ASN 44 N -1.62 0.36 -0.03 3.99 2.47 -0.53 -4.99 114.94 114.60 1qsw s ASN 44 Ca -0.13 0.58 -0.22 0.00 0.42 0.00 0.00 52.86 53.50 1qsw s ASN 44 Cb -0.08 0.72 -0.05 0.00 -1.45 0.00 0.00 41.25 40.39 1qsw s ASN 44 CO -0.02 -0.24 0.66 -0.47 -3.72 0.00 0.00 177.10 173.31 1qsw s TYR 45 N 2.43 3.64 -0.81 0.43 6.14 -1.26 -0.30 117.35 127.61 1qsw s TYR 45 Ca 0.01 1.25 -0.14 0.00 0.64 0.00 0.00 57.07 58.83 1qsw s TYR 45 Cb -0.12 -2.73 0.21 0.00 0.42 0.00 0.00 41.96 39.74 1qsw s TYR 45 CO -0.09 0.21 0.76 -0.80 0.64 0.00 0.00 175.55 176.27 1qsw s ASN 46 N 0.31 6.72 0.38 4.32 0.01 0.34 -4.92 114.94 122.10 1qsw s ASN 46 Ca 0.35 -2.61 0.10 0.00 -0.71 0.00 0.00 52.86 49.99 1qsw s ASN 46 Cb -0.18 -2.22 0.87 0.00 0.41 0.00 0.00 41.25 40.13 1qsw s ASN 46 CO 0.18 -0.61 1.89 0.00 -1.51 0.00 0.00 177.10 177.06 1qsw h ALA 47 N 7.89 1.89 0.11 0.60 0.00 -1.96 -0.04 119.26 127.74 1qsw h ALA 47 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1qsw h ALA 47 Cb 1.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1qsw h ALA 47 CO 0.78 -0.11 -0.21 0.78 0.00 0.00 0.00 179.25 180.49 1qsw h GLY 48 N 0.63 -0.38 -1.03 0.00 0.00 -1.95 -3.27 103.07 97.06 1qsw h GLY 48 Ca 0.41 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.98 1qsw h GLY 48 CO -0.17 -0.19 -0.50 2.09 0.00 0.00 0.00 176.54 177.77 1qsw n ASP 49 N -5.34 1.71 -4.01 0.19 5.68 -0.75 -4.99 116.55 109.04 1qsw n ASP 49 Ca -0.07 -3.79 -0.40 0.00 -0.50 0.00 0.00 54.79 50.03 1qsw n ASP 49 Cb 0.25 -0.52 0.01 0.00 -1.14 0.00 0.00 41.12 39.72 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 -1.07 -0.75 -4.10 0.11 1.74 -0.10 -4.98 116.66 107.51 1qsw n ARG 50 Ca 0.18 0.18 -0.07 0.00 -0.77 0.00 0.00 57.85 57.37 1qsw n ARG 50 Cb 0.71 -3.14 -0.10 0.00 -1.02 0.00 0.00 32.46 28.90 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 -3.68 0.47 -0.01 0.55 1.04 -1.08 -4.99 113.70 105.99 1qsw s SER 51 Ca 0.40 -1.03 0.06 0.00 0.48 0.00 0.00 55.95 55.86 1qsw s SER 51 Cb -0.20 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1qsw s SER 51 CO 0.95 -0.62 -0.20 -0.89 0.98 0.00 0.00 173.24 173.46 1qsw s THR 52 N -3.94 1.60 -0.15 2.02 2.01 -1.26 0.13 115.64 116.05 1qsw s THR 52 Ca 0.09 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1qsw s THR 52 Cb 0.08 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1qsw s THR 52 CO -0.08 0.45 0.06 -1.81 -0.69 0.00 0.00 174.62 172.55 1qsw s ASP 53 N -0.49 5.68 0.04 3.53 1.01 0.58 -0.41 116.67 126.61 1qsw s ASP 53 Ca 0.08 0.16 0.09 0.00 0.71 0.00 0.00 52.55 53.59 1qsw s ASP 53 Cb -0.08 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 1qsw s ASP 53 CO -0.01 0.26 -0.25 -0.31 0.21 0.00 0.00 175.17 175.07 1qsw s TYR 54 N -0.13 2.22 0.00 4.23 2.02 0.11 -1.45 117.35 124.35 1qsw s TYR 54 Ca 0.07 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1qsw s TYR 54 Cb -0.12 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 1qsw s TYR 54 CO 0.01 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.51 1qsw n GLY 55 N 1.84 0.74 0.37 0.71 0.00 -0.06 -1.34 105.19 107.45 1qsw n GLY 55 Ca -0.17 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 1.14 -0.07 -0.61 2.10 -1.69 -2.22 117.51 116.16 1qsw h ILE 56 Ca 0.00 -0.40 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1qsw h ILE 56 Cb 0.00 -0.13 0.00 0.00 -1.09 0.00 0.00 36.82 35.60 1qsw h ILE 56 CO 0.00 0.21 0.00 0.49 -1.08 0.00 0.00 178.15 177.77 1qsw n PHE 57 N -4.45 0.05 -3.61 2.19 3.01 -1.26 -4.06 117.46 109.33 1qsw n PHE 57 Ca 0.13 -0.02 -0.28 0.00 1.01 0.00 0.00 57.45 58.29 1qsw n PHE 57 Cb 0.12 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.36 -1.66 -2.70 -1.08 1.13 -0.84 -4.94 117.38 108.64 1qsw n GLN 58 Ca 0.14 0.54 -0.42 0.00 -1.94 0.00 0.00 57.00 55.33 1qsw n GLN 58 Cb 0.60 -4.52 -0.04 0.00 0.11 0.00 0.00 30.24 26.40 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 -3.47 4.68 0.48 5.09 1.01 -0.45 -4.52 121.20 124.02 1qsw s ILE 59 Ca 0.44 2.04 -0.22 0.00 0.00 0.00 0.00 60.65 62.90 1qsw s ILE 59 Cb -0.14 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 1qsw s ILE 59 CO 0.84 0.22 1.18 0.21 0.00 0.00 0.00 174.94 177.39 1qsw s ASN 60 N 0.58 5.99 0.61 3.58 2.47 -1.26 0.05 114.94 126.97 1qsw s ASN 60 Ca 0.50 2.34 0.34 0.00 0.42 0.00 0.00 52.86 56.47 1qsw s ASN 60 Cb -0.22 -2.60 1.99 0.00 -1.45 0.00 0.00 41.25 38.96 1qsw s ASN 60 CO 0.29 -1.04 2.28 0.77 -3.72 0.00 0.00 177.10 175.68 1qsw h SER 61 N 1.85 0.00 -0.84 -4.21 4.64 -1.12 -2.01 113.55 111.86 1qsw h SER 61 Ca -0.50 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.02 1qsw h SER 61 Cb 1.26 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 1qsw h SER 61 CO 0.59 0.01 0.33 0.03 -0.87 0.00 0.00 176.83 176.92 1qsw h ARG 62 N 0.00 0.37 0.00 4.77 2.47 -1.92 1.21 114.38 121.29 1qsw h ARG 62 Ca -0.00 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 1qsw h ARG 62 Cb 0.03 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 1qsw h ARG 62 CO 0.00 0.25 -0.25 1.88 0.56 0.00 0.00 179.97 182.41 1qsw h TYR 63 N 0.38 0.00 0.00 3.04 -1.99 -1.73 -2.67 116.97 114.01 1qsw h TYR 63 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 1qsw h TYR 63 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 1qsw h TYR 63 CO -0.17 0.25 -0.94 0.00 -0.00 0.00 0.00 178.16 177.30 1qsw n ALA 65 N -1.48 1.07 -2.24 0.00 0.00 0.40 -3.82 120.51 114.44 1qsw n ALA 65 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 53.44 52.54 1qsw n ALA 65 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1qsw n ALA 65 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qsw n ASN 66 N -4.22 -5.55 -3.91 0.00 5.03 -0.41 -4.79 115.26 101.41 1qsw n ASN 66 Ca -0.46 0.72 -0.55 0.00 0.87 0.00 0.00 54.58 55.15 1qsw n ASN 66 Cb 0.84 -3.57 -0.10 0.00 -1.02 0.00 0.00 39.78 35.92 1qsw n ASN 66 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1qsw n ASP 67 N 0.22 0.80 0.06 6.41 -0.08 -1.26 -4.77 116.55 117.93 1qsw n ASP 67 Ca 0.02 0.76 0.01 0.00 -1.51 0.00 0.00 54.79 54.07 1qsw n ASP 67 Cb 0.07 -0.79 0.07 0.00 2.34 0.00 0.00 41.12 42.81 1qsw n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qsw n GLY 68 N 5.54 -0.27 3.34 0.27 0.00 -1.26 -4.38 105.19 108.43 1qsw n GLY 68 Ca 0.41 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 1qsw n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qsw s LYS 69 N -2.62 1.07 -1.35 1.61 1.02 -1.26 -4.99 119.74 113.21 1qsw s LYS 69 Ca -0.00 -0.59 -0.17 0.00 0.02 0.00 0.00 55.97 55.23 1qsw s LYS 69 Cb 0.01 0.48 0.02 0.00 -0.52 0.00 0.00 37.83 37.82 1qsw s LYS 69 CO 0.02 -0.41 0.32 2.41 -0.92 0.00 0.00 175.35 176.77 1qsw n THR 70 N -0.08 -1.74 0.17 2.17 -1.04 -1.26 -4.79 114.28 107.71 1qsw n THR 70 Ca -0.17 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1qsw n THR 70 Cb 0.63 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 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 -4.75 0.18 0.00 -2.82 -0.02 -1.26 -4.94 135.00 121.39 1qsw n PRO 71 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 1qsw n PRO 71 Cb 0.62 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1qsw n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qsw n GLY 72 N 0.93 1.00 0.00 -1.23 0.00 -1.26 -4.11 105.19 100.51 1qsw n GLY 72 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1qsw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qsw n ALA 73 N 8.59 0.00 -2.65 4.61 0.00 -1.26 -5.19 120.51 124.61 1qsw n ALA 73 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1qsw n ALA 73 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1qsw n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qsw s VAL 74 N 0.00 3.55 -1.27 0.00 -7.23 -1.26 -4.99 120.40 109.20 1qsw s VAL 74 Ca 0.00 -1.78 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1qsw s VAL 74 Cb 0.00 -2.97 0.15 0.00 0.56 0.00 0.00 36.38 34.12 1qsw s VAL 74 CO 0.00 -0.33 1.73 -3.20 -0.31 0.00 0.00 175.10 172.99 1qsw n ASN 75 N -1.00 5.04 -4.64 4.85 4.05 -1.26 -4.99 115.26 117.31 1qsw n ASN 75 Ca -0.06 -3.03 -0.41 0.00 0.45 0.00 0.00 54.58 51.53 1qsw n ASN 75 Cb 0.59 -1.54 0.01 0.00 1.23 0.00 0.00 39.78 40.07 1qsw n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qsw n ALA 76 N 4.98 0.55 -2.26 5.20 0.00 -1.26 -4.49 120.51 123.22 1qsw n ALA 76 Ca 0.40 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.71 1qsw n ALA 76 Cb 0.39 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 1qsw n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qsw n HIS 78 N 0.67 2.21 -3.58 0.00 8.25 -1.26 -4.76 115.22 116.74 1qsw n HIS 78 Ca -0.03 -2.81 -0.09 0.00 -0.26 0.00 0.00 57.72 54.52 1qsw n HIS 78 Cb 0.52 -2.16 -0.02 0.00 1.12 0.00 0.00 29.99 29.45 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 -0.67 -0.42 0.41 2.41 0.05 -1.26 -5.16 118.68 114.04 1qsw s LEU 79 Ca 0.64 -0.20 -0.06 0.00 0.05 0.00 0.00 54.13 54.56 1qsw s LEU 79 Cb 0.20 2.51 -0.05 0.00 -2.05 0.00 0.00 46.19 46.81 1qsw s LEU 79 CO -0.07 -1.02 0.71 -0.94 -0.55 0.00 0.00 176.35 174.48 1qsw s SER 80 N -2.78 6.38 0.45 1.48 1.04 -1.26 -4.69 113.70 114.32 1qsw s SER 80 Ca 0.05 0.89 0.14 0.00 0.48 0.00 0.00 55.95 57.52 1qsw s SER 80 Cb -0.02 -2.22 1.07 0.00 0.10 0.00 0.00 66.02 64.94 1qsw s SER 80 CO -0.06 -0.42 2.01 0.00 0.98 0.00 0.00 173.24 175.76 1qsw h SER 82 N 0.35 0.36 0.07 0.00 0.02 -1.95 -0.64 113.55 111.75 1qsw h SER 82 Ca 0.23 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1qsw h SER 82 Cb 0.44 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1qsw h SER 82 CO -0.05 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.89 1qsw h ALA 83 N 1.80 1.00 -0.11 3.77 0.00 -1.63 -1.24 119.26 122.85 1qsw h ALA 83 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qsw h ALA 83 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1qsw h ALA 83 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1qsw n LEU 84 N -2.41 1.32 -0.05 0.00 4.77 -0.25 -3.87 117.00 116.51 1qsw n LEU 84 Ca -0.01 -0.53 0.01 0.00 -0.03 0.00 0.00 56.01 55.45 1qsw n LEU 84 Cb 0.06 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1qsw n LEU 84 CO 0.12 0.26 0.23 0.18 -1.33 0.00 0.00 177.39 176.85 1qsw n LEU 85 N 0.08 0.95 -4.80 2.23 4.32 -0.47 -3.57 117.00 115.73 1qsw n LEU 85 Ca 0.17 -0.91 -0.32 0.00 -0.02 0.00 0.00 56.01 54.93 1qsw n LEU 85 Cb 0.29 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.12 1qsw n LEU 85 CO 0.13 0.22 0.71 0.00 -1.22 0.00 0.00 177.39 177.24 1qsw s GLN 86 N -0.31 3.00 0.23 3.23 -2.07 -1.25 -4.20 119.66 118.29 1qsw s GLN 86 Ca 0.02 1.11 -0.08 0.00 -1.82 0.00 0.00 55.36 54.59 1qsw s GLN 86 Cb 0.01 -1.99 0.22 0.00 -1.09 0.00 0.00 33.01 30.16 1qsw s GLN 86 CO 0.03 -1.06 1.90 -0.44 -1.32 0.00 0.00 175.29 174.39 1qsw h ASP 87 N -0.25 0.98 -3.33 12.60 3.32 -1.95 -3.40 116.42 124.39 1qsw h ASP 87 Ca -0.45 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 1qsw h ASP 87 Cb 1.22 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.45 1qsw h ASP 87 CO 0.56 0.70 0.55 0.21 -1.72 0.00 0.00 179.24 179.54 1qsw s ASN 88 N -5.96 6.81 0.00 6.45 3.84 -1.26 -4.94 114.94 119.88 1qsw s ASN 88 Ca -0.13 0.92 0.19 0.00 0.21 0.00 0.00 52.86 54.05 1qsw s ASN 88 Cb 0.17 -2.46 1.07 0.00 -0.55 0.00 0.00 41.25 39.48 1qsw s ASN 88 CO 0.80 -0.65 1.70 0.00 -2.79 0.00 0.00 177.10 176.16 1qsw n ILE 89 N 5.51 0.03 -0.11 -5.21 0.13 -1.26 -4.37 119.36 114.07 1qsw n ILE 89 Ca 0.07 -0.05 -0.08 0.00 -1.10 0.00 0.00 62.75 61.59 1qsw n ILE 89 Cb 0.47 -0.20 0.00 0.00 -0.84 0.00 0.00 39.64 39.08 1qsw n ILE 89 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1qsw h ALA 90 N 3.65 0.46 -0.32 1.51 0.00 -1.94 -0.39 119.26 122.23 1qsw h ALA 90 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qsw h ALA 90 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qsw h ALA 90 CO 0.00 -0.13 0.21 -0.44 0.00 0.00 0.00 179.25 178.89 1qsw h ASP 91 N 0.44 0.37 -0.18 0.00 3.45 -1.88 -2.38 116.42 116.23 1qsw h ASP 91 Ca 0.14 -0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.63 1qsw h ASP 91 Cb 0.00 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 38.63 1qsw h ASP 91 CO -0.06 0.27 -0.14 0.00 -1.57 0.00 0.00 179.24 177.74 1qsw h ALA 92 N 1.11 -0.01 -0.61 3.45 0.00 -1.74 -1.32 119.26 120.15 1qsw h ALA 92 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qsw h ALA 92 Cb -0.04 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1qsw h ALA 92 CO -0.02 -0.57 0.38 0.28 0.00 0.00 0.00 179.25 179.31 1qsw h VAL 93 N -0.15 1.17 -0.90 0.00 2.07 -0.93 0.63 116.25 118.15 1qsw h VAL 93 Ca 0.11 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1qsw h VAL 93 Cb 0.31 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1qsw h VAL 93 CO -0.27 0.17 0.60 0.00 0.02 0.00 0.00 177.57 178.09 1qsw h ALA 94 N 1.20 1.37 -0.15 1.67 0.00 -1.10 -1.38 119.26 120.87 1qsw h ALA 94 Ca 0.22 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1qsw h ALA 94 Cb -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1qsw h ALA 94 CO -0.04 0.57 -0.34 0.00 0.00 0.00 0.00 179.25 179.44 1qsw h ALA 96 N 0.56 1.75 0.00 0.00 0.00 -0.45 -0.41 119.26 120.70 1qsw h ALA 96 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1qsw h ALA 96 Cb 0.94 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1qsw h ALA 96 CO 0.07 0.16 -0.31 0.87 0.00 0.00 0.00 179.25 180.04 1qsw h LYS 97 N 0.67 0.00 0.01 0.00 1.57 -1.18 -2.21 116.57 115.43 1qsw h LYS 97 Ca 0.27 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1qsw h LYS 97 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1qsw h LYS 97 CO -0.08 0.31 -0.13 0.00 -0.57 0.00 0.00 179.45 178.98 1qsw h ARG 98 N 0.00 0.08 -0.48 3.15 3.08 -0.90 -3.34 114.38 115.97 1qsw h ARG 98 Ca -0.00 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.05 1qsw h ARG 98 Cb 0.69 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.66 1qsw h ARG 98 CO 0.04 0.89 -0.28 0.28 -1.07 0.00 0.00 179.97 179.83 1qsw h VAL 99 N -0.70 0.27 -0.26 2.04 2.07 -1.08 -2.55 116.25 116.05 1qsw h VAL 99 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1qsw h VAL 99 Cb 0.94 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1qsw h VAL 99 CO 0.02 0.00 0.23 1.62 0.02 0.00 0.00 177.57 179.46 1qsw h VAL 100 N -0.17 0.63 0.00 2.57 3.04 -1.54 0.03 116.25 120.81 1qsw h VAL 100 Ca 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 1qsw h VAL 100 Cb 0.51 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1qsw h VAL 100 CO -0.58 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 176.52 1qsw n ARG 101 N -4.09 0.23 -1.62 4.17 1.74 -0.96 -3.63 116.66 112.50 1qsw n ARG 101 Ca 0.03 0.24 -0.33 0.00 -0.77 0.00 0.00 57.85 57.02 1qsw n ARG 101 Cb 0.38 -1.79 0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1qsw n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qsw s ASP 102 N -4.34 4.72 0.19 0.55 1.11 -0.00 -4.85 116.67 114.05 1qsw s ASP 102 Ca 0.10 2.14 0.02 0.00 0.18 0.00 0.00 52.55 54.99 1qsw s ASP 102 Cb 0.12 -2.57 0.11 0.00 1.07 0.00 0.00 42.92 41.65 1qsw s ASP 102 CO 0.55 -1.90 0.76 -2.65 1.18 0.00 0.00 175.17 173.11 1qsw n PRO 103 N -2.56 0.02 -0.00 8.23 -0.02 -1.26 -0.78 135.00 138.63 1qsw n PRO 103 Ca 0.12 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 1qsw n PRO 103 Cb 0.51 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1qsw n PRO 103 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qsw n GLN 104 N -1.52 1.05 0.00 -0.52 6.02 -1.26 -5.07 117.38 116.09 1qsw n GLN 104 Ca -0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1qsw n GLN 104 Cb 0.55 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1qsw n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qsw n GLY 105 N 1.43 2.40 0.02 1.08 0.00 0.04 -1.74 105.19 108.41 1qsw n GLY 105 Ca 0.02 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1qsw n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qsw n ILE 106 N 0.00 0.59 1.11 -0.61 3.06 -1.26 -2.60 119.36 119.64 1qsw n ILE 106 Ca 0.00 0.11 0.12 0.00 -2.50 0.00 0.00 62.75 60.48 1qsw n ILE 106 Cb 0.00 -0.80 0.60 0.00 0.54 0.00 0.00 39.64 39.98 1qsw n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1qsw n ARG 107 N -1.65 0.32 -0.34 9.51 1.74 -0.71 -2.87 116.66 122.66 1qsw n ARG 107 Ca 0.05 0.06 -0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1qsw n ARG 107 Cb 0.26 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 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 3.11 1.33 -2.52 7.54 0.00 -1.52 -3.40 119.26 123.81 1qsw h ALA 108 Ca 0.00 -0.06 -0.61 0.00 0.00 0.00 0.00 54.91 54.24 1qsw h ALA 108 Cb 0.24 -0.38 -0.12 0.00 0.00 0.00 0.00 17.79 17.53 1qsw h ALA 108 CO 0.00 0.62 0.11 -1.58 0.00 0.00 0.00 179.25 178.40 1qsw s TRP 109 N -6.04 3.28 0.13 0.00 0.51 -1.14 -4.96 118.94 110.72 1qsw s TRP 109 Ca -0.12 0.77 -0.16 0.00 -2.12 0.00 0.00 56.10 54.47 1qsw s TRP 109 Cb 0.18 -2.80 -0.01 0.00 -0.81 0.00 0.00 33.47 30.03 1qsw s TRP 109 CO 0.81 -0.30 1.71 0.28 -0.51 0.00 0.00 176.95 178.94 1qsw h VAL 110 N 5.39 1.17 -0.90 4.03 2.07 -1.89 -2.35 116.25 123.76 1qsw h VAL 110 Ca -0.28 -0.48 0.19 0.00 0.82 0.00 0.00 66.70 66.96 1qsw h VAL 110 Cb 1.13 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1qsw h VAL 110 CO 0.76 0.18 0.59 0.00 0.02 0.00 0.00 177.57 179.12 1qsw h ALA 111 N 1.03 2.10 -0.37 1.67 0.00 -1.95 0.21 119.26 121.95 1qsw h ALA 111 Ca 0.13 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1qsw h ALA 111 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qsw h ALA 111 CO -0.02 -0.39 -0.18 2.35 0.00 0.00 0.00 179.25 181.02 1qsw h TRP 112 N 0.48 0.89 -0.41 0.00 7.01 -1.75 0.81 115.95 122.98 1qsw h TRP 112 Ca 0.47 -0.22 -0.07 0.00 2.11 0.00 0.00 58.89 61.18 1qsw h TRP 112 Cb 1.07 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 1qsw h TRP 112 CO -0.00 0.96 -0.04 0.00 -2.79 0.00 0.00 178.44 176.57 1qsw h ARG 113 N 0.56 0.67 0.14 2.65 3.08 -0.86 0.88 114.38 121.50 1qsw h ARG 113 Ca 0.08 -0.18 -0.34 0.00 0.07 0.00 0.00 59.98 59.61 1qsw h ARG 113 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1qsw h ARG 113 CO 0.05 0.72 -1.78 -0.91 -1.07 0.00 0.00 179.97 176.98 1qsw h ASN 114 N 0.63 0.46 0.00 7.04 -0.26 -0.99 -3.37 115.58 119.08 1qsw h ASN 114 Ca 0.12 -0.79 0.00 0.00 -0.56 0.00 0.00 56.30 55.07 1qsw h ASN 114 Cb 0.45 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1qsw h ASN 114 CO 0.02 1.68 -1.43 0.54 -1.06 0.00 0.00 177.43 177.18 1qsw n ARG 115 N -3.49 0.88 -0.03 0.81 5.12 0.27 -4.83 116.66 115.40 1qsw n ARG 115 Ca -0.25 -0.10 -0.04 0.00 -1.93 0.00 0.00 57.85 55.53 1qsw n ARG 115 Cb 1.06 -1.36 -0.02 0.00 -1.16 0.00 0.00 32.46 30.98 1qsw n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qsw n GLN 117 N -2.94 1.24 -0.97 0.00 7.27 0.10 -1.10 117.38 120.98 1qsw n GLN 117 Ca -0.09 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1qsw n GLN 117 Cb 0.58 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.12 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 3.17 -5.73 -4.97 1.69 5.03 -1.26 -4.94 115.26 108.24 1qsw n ASN 118 Ca 0.20 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.46 1qsw n ASN 118 Cb 0.19 -3.41 -0.01 0.00 -1.02 0.00 0.00 39.78 35.53 1qsw n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1qsw s ARG 119 N -1.93 3.08 -0.41 3.52 1.81 -0.26 -5.02 118.95 119.73 1qsw s ARG 119 Ca 0.00 -1.04 -0.28 0.00 -1.72 0.00 0.00 55.73 52.69 1qsw s ARG 119 Cb 0.00 -2.78 -0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1qsw s ARG 119 CO 0.00 0.07 1.68 0.34 -0.68 0.00 0.00 175.30 176.71 1qsw s ASP 120 N -4.15 5.93 0.08 0.23 2.15 -1.26 -4.84 116.67 114.81 1qsw s ASP 120 Ca 0.44 0.96 0.21 0.00 0.43 0.00 0.00 52.55 54.59 1qsw s ASP 120 Cb -0.09 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 39.84 1qsw s ASP 120 CO 0.30 -1.74 0.76 1.33 -0.17 0.00 0.00 175.17 175.65 1qsw n VAL 121 N 7.26 0.49 -0.32 1.11 0.24 -1.26 -4.53 118.33 121.31 1qsw n VAL 121 Ca 0.20 -0.56 0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1qsw n VAL 121 Cb 0.48 -0.26 0.35 0.00 -1.47 0.00 0.00 33.84 32.94 1qsw n VAL 121 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qsw n ARG 122 N -2.55 -0.07 -0.33 7.34 1.74 -1.26 -1.58 116.66 119.95 1qsw n ARG 122 Ca -0.04 1.39 0.24 0.00 -0.77 0.00 0.00 57.85 58.67 1qsw n ARG 122 Cb 0.62 -2.29 0.52 0.00 -1.02 0.00 0.00 32.46 30.30 1qsw n ARG 122 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1qsw h GLN 123 N 0.00 0.35 0.00 5.56 3.07 -1.97 -0.98 115.11 121.14 1qsw h GLN 123 Ca 0.64 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 59.32 1qsw h GLN 123 Cb 1.43 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.91 1qsw h GLN 123 CO -0.85 0.23 -0.17 1.88 0.09 0.00 0.00 178.83 180.01 1qsw h TYR 124 N 0.36 0.00 -0.00 0.06 0.05 -1.63 -3.19 116.97 112.62 1qsw h TYR 124 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.39 1qsw h TYR 124 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.34 1qsw h TYR 124 CO -0.00 0.17 -0.39 1.33 -1.05 0.00 0.00 178.16 178.21 1qsw n VAL 125 N -3.82 0.00 -1.67 -2.88 0.24 -0.44 -4.81 118.33 104.94 1qsw n VAL 125 Ca -0.02 -0.30 -0.46 0.00 -2.04 0.00 0.00 64.34 61.52 1qsw n VAL 125 Cb 0.27 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.08 2.22 -1.70 7.34 1.13 -0.81 -1.77 117.38 122.70 1qsw n GLN 126 Ca 0.02 0.80 -0.07 0.00 -1.94 0.00 0.00 57.00 55.82 1qsw n GLN 126 Cb 0.15 -2.60 -0.01 0.00 0.11 0.00 0.00 30.24 27.89 1qsw n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qsw n GLY 127 N 3.68 0.46 0.46 1.08 0.00 -1.26 -4.93 105.19 104.69 1qsw n GLY 127 Ca 0.18 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 1.22 -0.27 0.62 0.00 0.00 -1.26 -4.85 105.19 100.65 1qsw n GLY 129 Ca 0.08 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1qsw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65