#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 3.86 0.40 3.15 1.01 -1.26 -1.13 120.40 126.43 1qsw s VAL 2 Ca 0.00 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.05 1qsw s VAL 2 Cb 0.00 -2.98 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 1qsw s VAL 2 CO 0.00 0.10 0.95 -0.36 0.00 0.00 0.00 175.10 175.80 1qsw s PHE 3 N 1.48 3.40 0.30 5.22 0.08 -0.39 -5.02 117.98 123.05 1qsw s PHE 3 Ca 0.02 1.66 -0.21 0.00 0.12 0.00 0.00 56.93 58.52 1qsw s PHE 3 Cb -0.17 -2.88 -0.09 0.00 -0.57 0.00 0.00 43.02 39.30 1qsw s PHE 3 CO 0.02 -0.06 0.82 -2.00 -0.10 0.00 0.00 175.22 173.90 1qsw s GLU 4 N -2.87 4.30 0.14 0.44 2.56 -1.26 -4.86 118.70 117.15 1qsw s GLU 4 Ca 0.59 1.00 -0.30 0.00 0.00 0.00 0.00 54.97 56.26 1qsw s GLU 4 Cb -0.12 -2.67 -0.05 0.00 2.00 0.00 0.00 34.13 33.29 1qsw s GLU 4 CO 0.16 0.25 1.56 -0.09 -0.56 0.00 0.00 175.26 176.59 1qsw h ARG 5 N 2.91 -0.37 -0.15 4.30 2.43 -1.96 -1.00 114.38 120.54 1qsw h ARG 5 Ca -0.48 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 1qsw h ARG 5 Cb 1.19 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1qsw h ARG 5 CO 0.65 -0.25 -0.27 0.00 -1.51 0.00 0.00 179.97 178.58 1qsw h GLU 7 N 0.24 0.07 -0.42 0.00 4.81 -1.87 -0.93 114.58 116.48 1qsw h GLU 7 Ca 0.04 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1qsw h GLU 7 Cb 0.61 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1qsw h GLU 7 CO 0.04 0.08 -0.12 1.25 -0.73 0.00 0.00 179.01 179.54 1qsw h LEU 8 N 0.04 0.83 -0.41 1.64 5.85 -0.80 -1.37 115.31 121.08 1qsw h LEU 8 Ca 0.02 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1qsw h LEU 8 Cb 0.03 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1qsw h LEU 8 CO -0.00 1.01 0.08 0.00 -0.34 0.00 0.00 178.44 179.18 1qsw h ALA 9 N 0.85 0.45 -0.03 1.25 0.00 -0.88 0.79 119.26 121.68 1qsw h ALA 9 Ca 0.10 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1qsw h ALA 9 Cb 0.65 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1qsw h ALA 9 CO 0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 179.25 178.55 1qsw h ARG 10 N 0.21 0.07 -0.17 0.00 3.08 -1.12 -1.27 114.38 115.18 1qsw h ARG 10 Ca 0.20 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 1qsw h ARG 10 Cb 0.25 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qsw h ARG 10 CO -0.27 0.49 -0.19 1.15 -1.07 0.00 0.00 179.97 180.08 1qsw h THR 11 N 0.06 1.34 -0.67 2.04 2.02 -0.68 -1.74 112.91 115.29 1qsw h THR 11 Ca 0.00 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1qsw h THR 11 Cb 0.78 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1qsw h THR 11 CO 0.06 0.41 0.42 -0.07 0.37 0.00 0.00 175.52 176.71 1qsw h LEU 12 N 0.08 0.79 -0.19 2.58 3.38 -0.46 -1.44 115.31 120.05 1qsw h LEU 12 Ca 0.03 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qsw h LEU 12 Cb 0.74 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1qsw h LEU 12 CO 0.05 0.59 0.09 0.50 0.09 0.00 0.00 178.44 179.77 1qsw h LYS 13 N 0.91 0.20 0.00 1.13 1.63 -1.24 -1.44 116.57 117.76 1qsw h LYS 13 Ca 0.24 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1qsw h LYS 13 Cb -0.06 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1qsw h LYS 13 CO -0.05 0.13 -0.03 0.00 -3.45 0.00 0.00 179.45 176.05 1qsw h ARG 14 N 0.20 0.00 -0.21 1.90 3.08 -0.77 -1.14 114.38 117.44 1qsw h ARG 14 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1qsw h ARG 14 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1qsw h ARG 14 CO -0.05 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.16 1qsw n LEU 15 N -3.60 1.78 0.00 3.04 4.77 -0.59 -4.94 117.00 117.46 1qsw n LEU 15 Ca -0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1qsw n LEU 15 Cb 0.13 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1qsw n LEU 15 CO 0.26 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1qsw n GLY 16 N 1.13 0.41 0.15 -0.72 0.00 -0.43 -4.96 105.19 100.77 1qsw n GLY 16 Ca 0.15 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 0.12 0.00 -6.25 1.61 2.86 -1.58 -3.40 114.93 108.30 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 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1qsw h MET 17 CO 0.00 0.00 1.22 0.34 1.06 0.00 0.00 176.91 179.53 1qsw s ASP 18 N -5.26 6.16 0.00 1.22 2.15 -1.26 -2.11 116.67 117.58 1qsw s ASP 18 Ca 0.07 1.73 0.00 0.00 0.43 0.00 0.00 52.55 54.78 1qsw s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1qsw s ASP 18 CO 0.66 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 1qsw n GLY 19 N 4.95 1.35 3.68 2.66 0.00 -0.31 -4.89 105.19 112.63 1qsw n GLY 19 Ca 0.21 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.13 -4.17 1.61 9.36 -0.90 0.36 117.16 123.55 1qsw n TYR 20 Ca 0.00 0.30 -0.35 0.00 3.32 0.00 0.00 57.90 61.17 1qsw n TYR 20 Cb 0.00 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 36.16 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 5.39 -3.61 -0.98 2.98 5.12 -1.26 -0.17 116.66 124.13 1qsw n ARG 21 Ca 0.23 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1qsw n ARG 21 Cb 0.22 -5.17 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 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 -1.45 0.34 3.60 -0.13 0.00 0.16 -4.99 105.19 102.71 1qsw n GLY 22 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.73 5.19 0.68 -0.61 1.01 0.76 -4.89 121.20 121.61 1qsw s ILE 23 Ca 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 1qsw s ILE 23 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1qsw s ILE 23 CO 0.00 0.17 1.16 -0.94 0.00 0.00 0.00 174.94 175.33 1qsw s SER 24 N 1.65 4.78 0.26 3.58 1.04 -1.26 -1.17 113.70 122.58 1qsw s SER 24 Ca 0.14 2.19 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 1qsw s SER 24 Cb -0.16 -2.57 0.47 0.00 0.10 0.00 0.00 66.02 63.86 1qsw s SER 24 CO 0.10 -1.86 1.81 0.25 0.98 0.00 0.00 173.24 174.52 1qsw h LEU 25 N 0.04 0.73 -1.09 2.42 5.85 -1.90 -1.31 115.31 120.04 1qsw h LEU 25 Ca -0.48 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.44 1qsw h LEU 25 Cb 1.27 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1qsw h LEU 25 CO 0.52 0.39 0.62 0.00 -0.34 0.00 0.00 178.44 179.63 1qsw h ALA 26 N 1.50 1.64 -0.47 1.25 0.00 -1.91 0.12 119.26 121.38 1qsw h ALA 26 Ca 0.44 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 1qsw h ALA 26 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qsw h ALA 26 CO -0.27 0.08 -0.12 -0.91 0.00 0.00 0.00 179.25 178.03 1qsw h ASN 27 N 0.87 0.92 -0.51 0.00 2.35 -1.57 0.12 115.58 117.76 1qsw h ASN 27 Ca 0.50 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 1qsw h ASN 27 Cb 0.64 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1qsw h ASN 27 CO -0.27 1.07 0.05 -0.50 -1.65 0.00 0.00 177.43 176.13 1qsw h TRP 28 N 0.76 0.93 -0.36 1.19 4.06 -0.71 -0.37 115.95 121.44 1qsw h TRP 28 Ca 0.12 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 1qsw h TRP 28 Cb 0.67 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 1qsw h TRP 28 CO 0.05 0.85 0.15 0.52 -3.56 0.00 0.00 178.44 176.45 1qsw h MET 29 N 0.74 0.53 -0.69 0.49 2.86 -0.85 -1.96 114.93 116.04 1qsw h MET 29 Ca 0.15 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1qsw h MET 29 Cb 0.45 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1qsw h MET 29 CO 0.02 0.51 0.46 0.00 1.06 0.00 0.00 176.91 178.95 1qsw h LEU 31 N 0.93 -0.80 -1.15 0.00 6.46 -0.82 -2.31 115.31 117.62 1qsw h LEU 31 Ca 0.26 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1qsw h LEU 31 Cb -0.09 0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1qsw h LEU 31 CO -0.06 -0.50 0.58 0.00 -0.62 0.00 0.00 178.44 177.84 1qsw h ALA 32 N -0.35 1.39 0.35 1.25 0.00 -1.18 -0.48 119.26 120.25 1qsw h ALA 32 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1qsw h ALA 32 Cb 0.64 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qsw h ALA 32 CO 0.05 0.56 -0.17 -0.22 0.00 0.00 0.00 179.25 179.48 1qsw h LYS 33 N 1.17 -0.46 -0.10 0.00 3.11 -1.04 -1.53 116.57 117.72 1qsw h LYS 33 Ca 0.32 0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 58.04 1qsw h LYS 33 Cb -0.12 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1qsw h LYS 33 CO -0.07 -0.30 -0.61 -1.49 -2.81 0.00 0.00 179.45 174.17 1qsw h TRP 34 N -0.48 0.43 0.01 1.91 4.06 -1.27 -0.99 115.95 119.62 1qsw h TRP 34 Ca -0.05 -0.17 -0.24 0.00 2.06 0.00 0.00 58.89 60.50 1qsw h TRP 34 Cb 0.37 -0.08 0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1qsw h TRP 34 CO -0.05 0.86 -0.98 0.93 -3.56 0.00 0.00 178.44 175.64 1qsw h GLU 35 N 0.25 0.47 0.00 0.49 4.39 -1.09 -3.42 114.58 115.67 1qsw h GLU 35 Ca -0.01 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1qsw h GLU 35 Cb 1.13 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1qsw h GLU 35 CO 0.10 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1qsw n SER 36 N -3.76 0.00 -2.69 1.42 3.41 -0.60 -4.86 113.62 106.54 1qsw n SER 36 Ca -0.08 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.33 1qsw n SER 36 Cb 0.85 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.44 2.26 5.00 0.00 -0.38 -2.33 105.19 109.30 1qsw n GLY 37 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.35 -0.41 -3.68 1.61 0.53 -1.17 -4.76 117.16 104.94 1qsw n TYR 38 Ca -0.14 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.37 1qsw n TYR 38 Cb 0.63 -2.54 -0.12 0.00 -1.03 0.00 0.00 39.34 36.28 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 -2.58 5.49 0.52 7.72 2.47 -0.98 -1.27 114.94 126.31 1qsw s ASN 39 Ca 0.00 -0.29 0.28 0.00 0.42 0.00 0.00 52.86 53.28 1qsw s ASN 39 Cb 0.00 -2.00 1.42 0.00 -1.45 0.00 0.00 41.25 39.22 1qsw s ASN 39 CO 0.00 -0.10 2.05 0.71 -3.72 0.00 0.00 177.10 176.04 1qsw h THR 40 N 5.55 0.50 -0.01 -5.21 1.35 -1.46 -2.94 112.91 110.69 1qsw h THR 40 Ca -0.35 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1qsw h THR 40 Cb 1.17 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1qsw h THR 40 CO 0.59 0.12 -0.32 0.54 -0.25 0.00 0.00 175.52 176.20 1qsw n ARG 41 N -3.54 0.80 -1.69 4.72 5.12 -1.26 -4.04 116.66 116.77 1qsw n ARG 41 Ca -0.01 -0.50 -0.43 0.00 -1.93 0.00 0.00 57.85 54.97 1qsw n ARG 41 Cb 0.26 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.06 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 -0.67 1.29 -2.74 7.54 0.00 -1.12 -4.77 120.51 120.05 1qsw n ALA 42 Ca 0.11 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1qsw n ALA 42 Cb 0.36 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 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 -0.69 0.33 -0.20 0.00 -4.23 -1.26 -1.02 115.64 108.57 1qsw s THR 43 Ca 0.60 -1.19 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1qsw s THR 43 Cb -0.59 -0.69 0.09 0.00 1.34 0.00 0.00 72.50 72.65 1qsw s THR 43 CO 0.57 -0.56 0.43 0.21 -0.54 0.00 0.00 174.62 174.73 1qsw s ASN 44 N -1.85 -0.32 -0.03 3.99 2.47 -0.79 -4.95 114.94 113.45 1qsw s ASN 44 Ca -0.08 1.01 -0.20 0.00 0.42 0.00 0.00 52.86 54.01 1qsw s ASN 44 Cb -0.06 1.33 -0.05 0.00 -1.45 0.00 0.00 41.25 41.01 1qsw s ASN 44 CO -0.02 -0.23 0.57 -0.47 -3.72 0.00 0.00 177.10 173.23 1qsw s TYR 45 N 2.49 3.64 -0.49 0.43 6.14 -1.26 0.39 117.35 128.70 1qsw s TYR 45 Ca -0.03 1.13 -0.06 0.00 0.64 0.00 0.00 57.07 58.75 1qsw s TYR 45 Cb -0.12 -2.60 0.13 0.00 0.42 0.00 0.00 41.96 39.79 1qsw s TYR 45 CO -0.13 0.31 0.33 -0.80 0.64 0.00 0.00 175.55 175.90 1qsw s ASN 46 N 0.01 5.54 0.53 4.32 0.01 0.21 -4.94 114.94 120.62 1qsw s ASN 46 Ca 0.30 -2.11 0.22 0.00 -0.71 0.00 0.00 52.86 50.56 1qsw s ASN 46 Cb -0.17 -1.94 1.37 0.00 0.41 0.00 0.00 41.25 40.92 1qsw s ASN 46 CO 0.16 -0.60 2.06 0.00 -1.51 0.00 0.00 177.10 177.21 1qsw h ALA 47 N 8.10 2.26 0.12 0.60 0.00 -1.97 -0.29 119.26 128.08 1qsw h ALA 47 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1qsw h ALA 47 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1qsw h ALA 47 CO 0.78 -0.38 -0.12 0.78 0.00 0.00 0.00 179.25 180.31 1qsw h GLY 48 N 0.00 -0.25 -0.55 0.00 0.00 -1.95 -3.31 103.07 97.01 1qsw h GLY 48 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1qsw h GLY 48 CO -0.00 -0.13 0.00 2.09 0.00 0.00 0.00 176.54 178.50 1qsw n ASP 49 N -5.24 2.53 -3.53 0.19 5.75 -1.09 -4.99 116.55 110.17 1qsw n ASP 49 Ca -0.07 -2.27 -0.19 0.00 -0.01 0.00 0.00 54.79 52.24 1qsw n ASP 49 Cb 0.16 -0.19 0.06 0.00 -1.03 0.00 0.00 41.12 40.12 1qsw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qsw n ARG 50 N -0.34 -4.97 -4.23 0.11 3.00 -0.14 -5.02 116.66 105.07 1qsw n ARG 50 Ca 0.08 0.74 -0.13 0.00 -0.01 0.00 0.00 57.85 58.53 1qsw n ARG 50 Cb 0.43 -5.48 -0.10 0.00 0.00 0.00 0.00 32.46 27.31 1qsw n ARG 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1qsw s SER 51 N -4.17 0.87 -0.03 0.55 1.04 -1.13 -4.98 113.70 105.84 1qsw s SER 51 Ca 0.10 -1.24 0.06 0.00 0.48 0.00 0.00 55.95 55.35 1qsw s SER 51 Cb -0.02 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 1qsw s SER 51 CO 0.77 -0.67 -0.22 -0.89 0.98 0.00 0.00 173.24 173.21 1qsw s THR 52 N -3.83 1.80 -0.09 2.02 2.01 -1.26 0.65 115.64 116.93 1qsw s THR 52 Ca 0.28 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1qsw s THR 52 Cb 0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 1qsw s THR 52 CO 0.06 0.51 0.15 -1.81 -0.69 0.00 0.00 174.62 172.83 1qsw s ASP 53 N -0.37 6.37 0.02 3.53 1.01 0.16 -0.09 116.67 127.31 1qsw s ASP 53 Ca 0.04 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.77 1qsw s ASP 53 Cb -0.10 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1qsw s ASP 53 CO 0.01 0.38 -0.10 -0.31 0.21 0.00 0.00 175.17 175.35 1qsw s TYR 54 N -1.10 0.91 0.05 4.23 2.02 0.24 -1.89 117.35 121.82 1qsw s TYR 54 Ca 0.18 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 1qsw s TYR 54 Cb -0.12 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 1qsw s TYR 54 CO 0.07 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.46 1qsw n GLY 55 N 2.24 -2.01 0.36 0.71 0.00 -0.19 -1.64 105.19 104.66 1qsw n GLY 55 Ca -0.17 -1.39 0.19 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.19 0.30 -0.00 -0.61 2.10 -1.69 -0.70 117.51 116.72 1qsw h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qsw h ILE 56 Cb 0.18 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 36.61 1qsw h ILE 56 CO 0.00 0.00 -0.44 0.49 -1.08 0.00 0.00 178.15 177.12 1qsw n PHE 57 N -3.53 0.00 -3.27 2.19 3.01 -1.26 -4.26 117.46 110.34 1qsw n PHE 57 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.34 1qsw n PHE 57 Cb 0.50 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 40.04 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 -0.86 -2.37 -2.77 -1.08 1.13 -0.27 -4.95 117.38 106.22 1qsw n GLN 58 Ca 0.03 0.86 -0.41 0.00 -1.94 0.00 0.00 57.00 55.55 1qsw n GLN 58 Cb 0.21 -5.80 -0.05 0.00 0.11 0.00 0.00 30.24 24.72 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 -3.39 4.52 0.39 5.09 1.01 -0.65 -4.48 121.20 123.69 1qsw s ILE 59 Ca 0.45 2.00 -0.26 0.00 0.00 0.00 0.00 60.65 62.83 1qsw s ILE 59 Cb -0.06 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 1qsw s ILE 59 CO 0.74 0.33 1.27 0.21 0.00 0.00 0.00 174.94 177.50 1qsw s ASN 60 N -0.08 6.44 0.40 3.58 3.84 -1.26 -0.59 114.94 127.27 1qsw s ASN 60 Ca 0.45 2.59 0.22 0.00 0.21 0.00 0.00 52.86 56.33 1qsw s ASN 60 Cb -0.23 -2.63 1.21 0.00 -0.55 0.00 0.00 41.25 39.04 1qsw s ASN 60 CO 0.29 -0.75 1.64 0.77 -2.79 0.00 0.00 177.10 176.26 1qsw h SER 61 N 2.79 0.00 0.23 -4.21 4.64 -0.88 -0.48 113.55 115.63 1qsw h SER 61 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1qsw h SER 61 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1qsw h SER 61 CO 0.63 0.00 -0.13 0.03 -0.87 0.00 0.00 176.83 176.49 1qsw h ARG 62 N 0.00 0.00 0.00 4.77 3.08 -1.86 0.18 114.38 120.55 1qsw h ARG 62 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qsw h ARG 62 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1qsw h ARG 62 CO 0.00 0.13 -0.37 0.66 -1.07 0.00 0.00 179.97 179.32 1qsw n TYR 63 N -3.99 0.11 0.00 3.04 4.01 -0.19 -4.14 117.16 116.00 1qsw n TYR 63 Ca -0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1qsw n TYR 63 Cb 0.22 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1qsw n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qsw n ALA 65 N -0.43 1.45 0.00 0.00 0.00 0.59 -3.74 120.51 118.38 1qsw n ALA 65 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1qsw n ALA 65 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1qsw n ALA 65 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qsw n ASN 66 N -4.08 0.00 0.00 0.00 0.23 -1.17 -4.98 115.26 105.26 1qsw n ASN 66 Ca -0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.62 1qsw n ASN 66 Cb 0.79 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.49 1qsw n ASN 66 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1qsw n ASP 67 N 0.19 0.00 -0.12 0.53 -0.08 -1.26 -4.79 116.55 111.02 1qsw n ASP 67 Ca 0.00 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1qsw n ASP 67 Cb 0.00 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.48 1qsw n ASP 67 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1qsw h GLY 68 N 0.00 0.34 -5.58 0.27 0.00 -1.98 -3.07 103.07 93.05 1qsw h GLY 68 Ca 0.00 0.10 -0.69 0.00 0.00 0.00 0.00 47.33 46.74 1qsw h GLY 68 CO 0.00 -0.13 3.45 0.58 0.00 0.00 0.00 176.54 180.43 1qsw n LYS 69 N -5.26 3.21 0.21 4.80 0.00 -1.26 -3.43 118.16 116.43 1qsw n LYS 69 Ca 0.03 -2.43 0.00 0.00 -0.00 0.00 0.00 58.31 55.91 1qsw n LYS 69 Cb 0.22 -3.08 0.00 0.00 -0.00 0.00 0.00 35.03 32.17 1qsw n LYS 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1qsw n THR 70 N 4.45 0.00 -0.82 0.58 -1.04 -1.16 -5.12 114.28 111.18 1qsw n THR 70 Ca 0.63 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.70 1qsw n THR 70 Cb 0.32 -0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 1qsw n THR 70 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1qsw n PRO 71 N -3.49 -1.07 0.00 -2.82 -0.05 -1.22 -5.07 135.00 121.28 1qsw n PRO 71 Ca 0.00 0.88 0.00 0.00 -0.05 0.00 0.00 63.50 64.33 1qsw n PRO 71 Cb 0.00 -1.59 0.00 0.00 -0.05 0.00 0.00 33.50 31.86 1qsw n PRO 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1qsw n GLY 72 N -3.39 0.19 5.00 0.55 0.00 -1.26 -4.75 105.19 101.52 1qsw n GLY 72 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 1.98 0.00 -1.79 4.61 0.00 -1.26 -4.81 120.51 119.24 1qsw n ALA 73 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1qsw n ALA 73 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 4.25 -0.96 0.00 -7.23 -1.26 -4.94 120.40 110.26 1qsw s VAL 74 Ca 0.00 1.14 -0.22 0.00 -1.81 0.00 0.00 61.98 61.09 1qsw s VAL 74 Cb 0.00 -3.59 0.08 0.00 0.56 0.00 0.00 36.38 33.42 1qsw s VAL 74 CO 0.00 -0.56 1.32 0.21 -0.31 0.00 0.00 175.10 175.76 1qsw s ASN 75 N -2.80 6.51 0.47 4.85 3.84 -1.26 -4.95 114.94 121.60 1qsw s ASN 75 Ca 0.61 -1.57 -0.24 0.00 0.21 0.00 0.00 52.86 51.87 1qsw s ASN 75 Cb -0.12 -2.51 -0.07 0.00 -0.55 0.00 0.00 41.25 38.00 1qsw s ASN 75 CO 0.30 -1.38 1.37 0.00 -2.79 0.00 0.00 177.10 174.59 1qsw s ALA 76 N 4.25 3.11 0.21 1.71 0.00 -1.26 -4.70 121.76 125.08 1qsw s ALA 76 Ca 0.40 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 1qsw s ALA 76 Cb -0.03 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 1qsw s ALA 76 CO -0.08 -1.14 0.97 0.00 0.00 0.00 0.00 175.76 175.51 1qsw n HIS 78 N 1.83 2.13 -3.84 0.00 8.25 -1.26 -4.77 115.22 117.56 1qsw n HIS 78 Ca -0.01 -2.12 0.01 0.00 -0.26 0.00 0.00 57.72 55.34 1qsw n HIS 78 Cb 0.47 -1.90 0.01 0.00 1.12 0.00 0.00 29.99 29.69 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 1.13 -0.02 0.35 2.41 2.34 -1.26 -5.12 118.68 118.50 1qsw s LEU 79 Ca 0.53 -0.29 -0.05 0.00 0.06 0.00 0.00 54.13 54.38 1qsw s LEU 79 Cb 0.14 1.54 -0.05 0.00 -0.56 0.00 0.00 46.19 47.26 1qsw s LEU 79 CO 0.04 -0.47 0.63 -0.94 -1.06 0.00 0.00 176.35 174.55 1qsw s SER 80 N -3.43 6.40 0.38 1.48 1.04 -1.26 -4.74 113.70 113.56 1qsw s SER 80 Ca 0.22 0.77 0.11 0.00 0.48 0.00 0.00 55.95 57.53 1qsw s SER 80 Cb 0.01 -2.17 0.76 0.00 0.10 0.00 0.00 66.02 64.72 1qsw s SER 80 CO -0.00 -0.31 1.87 0.00 0.98 0.00 0.00 173.24 175.78 1qsw h SER 82 N 0.10 0.75 0.34 0.00 0.02 -1.94 -0.96 113.55 111.87 1qsw h SER 82 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1qsw h SER 82 Cb 0.52 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1qsw h SER 82 CO 0.04 0.49 0.00 0.00 -1.14 0.00 0.00 176.83 176.21 1qsw h ALA 83 N 1.57 1.00 0.00 3.77 0.00 -1.93 0.45 119.26 124.12 1qsw h ALA 83 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1qsw h ALA 83 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qsw h ALA 83 CO -0.12 0.00 -0.05 1.28 0.00 0.00 0.00 179.25 180.36 1qsw n LEU 84 N -3.06 0.13 -0.56 0.00 4.77 -0.36 -3.56 117.00 114.35 1qsw n LEU 84 Ca -0.02 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1qsw n LEU 84 Cb 0.15 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1qsw n LEU 84 CO 0.22 -0.01 0.35 0.18 -1.33 0.00 0.00 177.39 176.81 1qsw n LEU 85 N -1.58 2.14 -4.69 2.23 4.32 0.15 -3.91 117.00 115.65 1qsw n LEU 85 Ca 0.07 -0.81 -0.31 0.00 -0.02 0.00 0.00 56.01 54.94 1qsw n LEU 85 Cb 0.35 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.30 1qsw n LEU 85 CO 0.28 0.39 0.68 -1.10 -1.22 0.00 0.00 177.39 176.42 1qsw s GLN 86 N -2.29 1.29 0.21 3.23 -0.21 -1.23 -4.31 119.66 116.35 1qsw s GLN 86 Ca 0.19 1.43 -0.02 0.00 0.02 0.00 0.00 55.36 56.98 1qsw s GLN 86 Cb 0.18 -1.77 0.18 0.00 1.00 0.00 0.00 33.01 32.60 1qsw s GLN 86 CO 0.50 -2.40 1.57 -0.44 -2.12 0.00 0.00 175.29 172.39 1qsw h ASP 87 N -1.70 0.63 -3.43 5.90 3.45 -1.93 -3.41 116.42 115.94 1qsw h ASP 87 Ca -0.44 -0.29 -0.58 0.00 0.43 0.00 0.00 57.03 56.15 1qsw h ASP 87 Cb 1.26 -0.18 -0.08 0.00 -0.56 0.00 0.00 39.33 39.78 1qsw h ASP 87 CO 0.44 0.98 0.73 0.21 -1.57 0.00 0.00 179.24 180.03 1qsw s ASN 88 N -6.87 6.79 -0.00 6.45 3.84 -1.26 -4.93 114.94 118.96 1qsw s ASN 88 Ca -0.08 0.79 0.13 0.00 0.21 0.00 0.00 52.86 53.91 1qsw s ASN 88 Cb 0.12 -2.50 0.37 0.00 -0.55 0.00 0.00 41.25 38.69 1qsw s ASN 88 CO 0.83 -0.89 1.30 2.30 -2.79 0.00 0.00 177.10 177.85 1qsw n ILE 89 N 5.98 0.58 -0.20 -5.21 -5.35 -1.26 -4.43 119.36 109.47 1qsw n ILE 89 Ca 0.10 -0.56 -0.02 0.00 -0.27 0.00 0.00 62.75 61.99 1qsw n ILE 89 Cb 0.48 0.26 0.08 0.00 -1.74 0.00 0.00 39.64 38.72 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 3.75 0.77 -0.22 -1.28 0.00 -1.96 -1.20 119.26 119.11 1qsw h ALA 90 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qsw h ALA 90 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1qsw h ALA 90 CO 0.01 -0.09 0.15 -0.44 0.00 0.00 0.00 179.25 178.87 1qsw h ASP 91 N 0.52 0.26 -0.69 0.00 3.45 -1.89 -1.26 116.42 116.82 1qsw h ASP 91 Ca 0.27 -0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.76 1qsw h ASP 91 Cb 0.24 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 1qsw h ASP 91 CO -0.22 0.19 0.45 0.00 -1.57 0.00 0.00 179.24 178.10 1qsw h ALA 92 N 1.08 1.62 -0.33 3.45 0.00 -1.67 -0.95 119.26 122.45 1qsw h ALA 92 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1qsw h ALA 92 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1qsw h ALA 92 CO -0.02 0.31 -0.17 0.28 0.00 0.00 0.00 179.25 179.65 1qsw h VAL 93 N 0.82 1.29 -0.28 0.00 2.07 -0.98 0.23 116.25 119.40 1qsw h VAL 93 Ca 0.28 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1qsw h VAL 93 Cb 0.08 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1qsw h VAL 93 CO -0.08 0.42 0.14 0.00 0.02 0.00 0.00 177.57 178.07 1qsw h ALA 94 N 0.77 0.34 -0.34 1.67 0.00 -0.61 -1.76 119.26 119.33 1qsw h ALA 94 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1qsw h ALA 94 Cb 0.71 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1qsw h ALA 94 CO 0.05 -0.25 0.11 0.00 0.00 0.00 0.00 179.25 179.16 1qsw h ALA 96 N 0.95 1.34 -0.44 0.00 0.00 -0.25 -0.93 119.26 119.94 1qsw h ALA 96 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qsw h ALA 96 Cb 0.24 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1qsw h ALA 96 CO -0.00 0.39 0.23 0.87 0.00 0.00 0.00 179.25 180.73 1qsw h LYS 97 N 1.11 0.59 0.21 0.00 1.57 -1.19 -1.05 116.57 117.82 1qsw h LYS 97 Ca 0.42 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1qsw h LYS 97 Cb 0.19 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1qsw h LYS 97 CO -0.18 0.45 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.96 1qsw h ARG 98 N 0.60 -0.27 -0.69 3.15 2.43 -0.93 -3.08 114.38 115.59 1qsw h ARG 98 Ca 0.16 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.49 1qsw h ARG 98 Cb 0.03 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.53 1qsw h ARG 98 CO -0.02 0.08 0.10 0.28 -1.51 0.00 0.00 179.97 178.90 1qsw h VAL 99 N -0.68 0.50 0.00 0.20 2.07 -1.02 0.20 116.25 117.52 1qsw h VAL 99 Ca -0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1qsw h VAL 99 Cb 0.48 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1qsw h VAL 99 CO 0.05 0.04 0.00 -0.37 0.02 0.00 0.00 177.57 177.30 1qsw h VAL 100 N 0.20 0.00 0.00 2.57 -1.51 -1.21 -1.04 116.25 115.26 1qsw h VAL 100 Ca 0.38 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 1qsw h VAL 100 Cb 0.64 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1qsw h VAL 100 CO -0.53 0.00 0.00 0.03 -1.23 0.00 0.00 177.57 175.84 1qsw h ARG 101 N 0.00 0.00 -7.29 5.19 3.08 -0.50 -3.30 114.38 111.56 1qsw h ARG 101 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1qsw h ARG 101 Cb 0.33 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.54 1qsw h ARG 101 CO 0.00 0.00 0.22 -0.51 -1.07 0.00 0.00 179.97 178.61 1qsw s ASP 102 N -5.62 3.11 0.64 7.04 -0.00 -0.39 -4.89 116.67 116.55 1qsw s ASP 102 Ca 0.06 1.72 0.32 0.00 -0.00 0.00 0.00 52.55 54.66 1qsw s ASP 102 Cb 0.08 -2.35 1.75 0.00 -0.00 0.00 0.00 42.92 42.40 1qsw s ASP 102 CO 0.61 -2.90 2.04 1.55 -0.00 0.00 0.00 175.17 176.47 1qsw h PRO 103 N -1.73 0.00 -0.01 8.23 0.13 -1.86 -2.71 132.00 134.05 1qsw h PRO 103 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qsw h PRO 103 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1qsw h PRO 103 CO 0.50 0.00 -0.64 0.94 -0.23 0.00 0.00 178.00 178.58 1qsw n GLN 104 N -3.26 0.51 0.00 0.86 7.27 -1.26 -5.06 117.38 116.44 1qsw n GLN 104 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 57.00 56.68 1qsw n GLN 104 Cb 0.35 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.51 1qsw n GLN 104 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1qsw n GLY 105 N 1.45 2.16 0.27 1.69 0.00 -1.02 -2.16 105.19 107.58 1qsw n GLY 105 Ca 0.07 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 0.36 0.00 -0.61 2.10 -1.91 -2.76 117.51 114.69 1qsw h ILE 106 Ca 0.00 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1qsw h ILE 106 Cb 0.00 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1qsw h ILE 106 CO 0.00 0.09 0.00 0.03 -1.08 0.00 0.00 178.15 177.19 1qsw h ARG 107 N 0.00 0.00 -0.56 2.19 3.08 -1.86 -2.67 114.38 114.56 1qsw h ARG 107 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 1qsw h ARG 107 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1qsw h ARG 107 CO 0.01 0.00 0.40 0.00 -1.07 0.00 0.00 179.97 179.31 1qsw h ALA 108 N 2.01 2.50 -2.67 0.04 0.00 -1.54 -3.39 119.26 116.20 1qsw h ALA 108 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 1qsw h ALA 108 Cb 0.03 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.69 1qsw h ALA 108 CO 0.00 -0.66 -0.34 -1.58 0.00 0.00 0.00 179.25 176.67 1qsw s TRP 109 N -5.03 3.22 0.36 0.00 0.51 -1.01 -4.98 118.94 112.01 1qsw s TRP 109 Ca -0.05 0.02 0.10 0.00 -2.12 0.00 0.00 56.10 54.05 1qsw s TRP 109 Cb 0.20 -2.59 0.68 0.00 -0.81 0.00 0.00 33.47 30.95 1qsw s TRP 109 CO 0.74 -0.36 1.82 -0.24 -0.51 0.00 0.00 176.95 178.40 1qsw h VAL 110 N 5.49 1.25 -0.76 4.03 3.04 -1.88 -1.91 116.25 125.51 1qsw h VAL 110 Ca -0.31 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 1qsw h VAL 110 Cb 1.15 1.54 -0.04 0.00 -2.01 0.00 0.00 31.29 31.93 1qsw h VAL 110 CO 0.66 0.35 0.48 0.00 -1.01 0.00 0.00 177.57 178.05 1qsw h ALA 111 N 1.57 0.96 0.07 3.17 0.00 -1.94 0.27 119.26 123.36 1qsw h ALA 111 Ca 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qsw h ALA 111 Cb 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qsw h ALA 111 CO 0.04 0.41 -0.03 2.35 0.00 0.00 0.00 179.25 182.02 1qsw h TRP 112 N 1.03 -0.08 -0.78 0.00 7.01 -1.67 0.26 115.95 121.72 1qsw h TRP 112 Ca 0.28 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.32 1qsw h TRP 112 Cb -0.08 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 26.95 1qsw h TRP 112 CO -0.01 -0.04 0.48 0.00 -2.79 0.00 0.00 178.44 176.08 1qsw h ARG 113 N -0.10 0.89 0.11 2.65 3.08 -1.27 0.60 114.38 120.33 1qsw h ARG 113 Ca -0.01 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.71 1qsw h ARG 113 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1qsw h ARG 113 CO 0.01 0.59 -1.32 -0.91 -1.07 0.00 0.00 179.97 177.27 1qsw h ASN 114 N 0.91 0.37 0.00 7.04 2.35 -0.00 -3.37 115.58 122.87 1qsw h ASN 114 Ca 0.33 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1qsw h ASN 114 Cb 0.10 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1qsw h ASN 114 CO -0.15 1.35 -0.62 0.54 -1.65 0.00 0.00 177.43 176.90 1qsw n ARG 115 N -3.48 3.11 -0.01 0.81 3.00 0.89 -4.82 116.66 116.16 1qsw n ARG 115 Ca -0.10 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.85 57.71 1qsw n ARG 115 Cb 1.02 -1.04 -0.01 0.00 0.00 0.00 0.00 32.46 32.44 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 -2.85 1.36 -0.69 0.00 7.27 0.17 -1.31 117.38 121.33 1qsw n GLN 117 Ca -0.03 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.53 1qsw n GLN 117 Cb 0.52 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.06 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 2.48 -0.49 -4.92 1.69 3.02 -1.26 -4.96 115.26 110.81 1qsw n ASN 118 Ca 0.17 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 1qsw n ASN 118 Cb 0.23 -1.82 -0.02 0.00 -0.61 0.00 0.00 39.78 37.56 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 -0.76 3.01 -0.26 3.52 0.52 -0.43 -5.04 118.95 119.51 1qsw s ARG 119 Ca 0.00 -1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 1qsw s ARG 119 Cb 0.00 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1qsw s ARG 119 CO 0.00 0.16 1.82 0.34 0.02 0.00 0.00 175.30 177.64 1qsw s ASP 120 N -4.05 6.01 -0.02 0.23 3.68 -1.26 -4.83 116.67 116.42 1qsw s ASP 120 Ca 0.41 1.58 0.14 0.00 2.13 0.00 0.00 52.55 56.80 1qsw s ASP 120 Cb -0.08 -2.53 0.42 0.00 -1.45 0.00 0.00 42.92 39.29 1qsw s ASP 120 CO 0.29 -1.57 1.35 1.33 0.13 0.00 0.00 175.17 176.70 1qsw n VAL 121 N 7.06 1.18 -0.10 1.11 0.24 -1.26 -4.63 118.33 121.92 1qsw n VAL 121 Ca 0.23 -1.09 0.02 0.00 -2.04 0.00 0.00 64.34 61.45 1qsw n VAL 121 Cb 0.46 0.40 0.32 0.00 -1.47 0.00 0.00 33.84 33.55 1qsw n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1qsw h ARG 122 N 2.59 0.76 -0.89 7.34 3.08 -1.92 -2.30 114.38 123.04 1qsw h ARG 122 Ca 0.00 -0.06 0.20 0.00 0.07 0.00 0.00 59.98 60.20 1qsw h ARG 122 Cb 0.90 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1qsw h ARG 122 CO 0.04 0.53 0.59 -0.56 -1.07 0.00 0.00 179.97 179.50 1qsw h GLN 123 N 0.77 0.37 0.00 0.04 3.07 -1.96 -0.90 115.11 116.50 1qsw h GLN 123 Ca 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.89 1qsw h GLN 123 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.43 1qsw h GLN 123 CO -0.04 0.24 -0.15 1.88 0.09 0.00 0.00 178.83 180.85 1qsw h TYR 124 N 0.38 0.00 0.00 0.06 0.05 -1.75 -3.29 116.97 112.41 1qsw h TYR 124 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 1qsw h TYR 124 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1qsw h TYR 124 CO -0.00 0.15 0.00 1.33 -1.05 0.00 0.00 178.16 178.59 1qsw n VAL 125 N -3.60 0.00 -1.73 -2.88 0.24 -0.44 -4.85 118.33 105.07 1qsw n VAL 125 Ca -0.01 -0.38 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 1qsw n VAL 125 Cb 0.28 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.09 2.77 -0.97 7.34 6.02 -0.60 -2.33 117.38 129.51 1qsw n GLN 126 Ca 0.00 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 1qsw n GLN 126 Cb 0.05 -2.83 0.00 0.00 1.02 0.00 0.00 30.24 28.49 1qsw n GLN 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qsw n GLY 127 N 3.53 0.54 0.43 1.08 0.00 -1.26 -4.94 105.19 104.58 1qsw n GLY 127 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 1.17 0.45 0.66 0.00 0.00 -1.26 -4.75 105.19 101.46 1qsw n GLY 129 Ca 0.19 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1qsw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65