#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xww s GLU 2 N 0.00 4.05 0.10 0.00 0.41 -1.26 -5.02 118.70 116.99 1xww s GLU 2 Ca 0.00 1.54 -0.22 0.00 -0.41 0.00 0.00 54.97 55.88 1xww s GLU 2 Cb 0.00 -2.46 -0.07 0.00 -1.78 0.00 0.00 34.13 29.82 1xww s GLU 2 CO 0.00 -0.25 0.65 -0.65 -0.49 0.00 0.00 175.26 174.52 1xww s GLN 3 N -2.63 4.34 0.76 1.61 -0.21 -1.26 -5.07 119.66 117.21 1xww s GLN 3 Ca 0.60 0.90 -0.14 0.00 0.02 0.00 0.00 55.36 56.73 1xww s GLN 3 Cb -0.22 -3.25 0.06 0.00 1.00 0.00 0.00 33.01 30.59 1xww s GLN 3 CO 0.28 0.60 1.20 0.00 -2.12 0.00 0.00 175.29 175.25 1xww s ALA 4 N -1.08 2.02 0.10 6.09 0.00 -1.26 -4.91 121.76 122.72 1xww s ALA 4 Ca 0.32 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1xww s ALA 4 Cb -0.21 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1xww s ALA 4 CO 0.22 -2.03 0.99 -0.08 0.00 0.00 0.00 175.76 174.86 1xww s THR 5 N -2.09 4.47 0.17 0.00 -1.32 -1.26 -4.87 115.64 110.73 1xww s THR 5 Ca 0.73 1.99 0.07 0.00 -1.21 0.00 0.00 61.69 63.27 1xww s THR 5 Cb -0.28 -4.27 -0.04 0.00 -1.51 0.00 0.00 72.50 66.39 1xww s THR 5 CO 0.48 0.28 -0.15 -0.54 -2.21 0.00 0.00 174.62 172.47 1xww s LYS 6 N 0.18 1.22 0.02 7.08 1.02 -0.34 -5.02 119.74 123.90 1xww s LYS 6 Ca 0.49 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 55.05 1xww s LYS 6 Cb -0.24 -1.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.99 1xww s LYS 6 CO 0.30 0.19 -0.09 -1.54 -0.92 0.00 0.00 175.35 173.29 1xww s SER 7 N -2.95 1.07 -0.01 2.83 1.04 -1.26 -1.02 113.70 113.41 1xww s SER 7 Ca 0.17 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1xww s SER 7 Cb -0.02 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1xww s SER 7 CO 0.05 0.01 0.00 0.54 0.98 0.00 0.00 173.24 174.82 1xww s VAL 8 N -0.64 0.01 -0.19 5.02 0.11 -0.25 -2.19 120.40 122.28 1xww s VAL 8 Ca -0.01 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1xww s VAL 8 Cb -0.06 -0.05 0.02 0.00 -1.53 0.00 0.00 36.38 34.76 1xww s VAL 8 CO 0.00 0.03 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.41 1xww s LEU 9 N 0.28 2.24 -0.00 2.54 2.96 -0.40 -1.87 118.68 124.43 1xww s LEU 9 Ca -0.02 -0.63 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1xww s LEU 9 Cb -0.04 -1.51 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1xww s LEU 9 CO -0.01 -0.01 0.54 -0.36 -1.32 0.00 0.00 176.35 175.20 1xww s PHE 10 N 1.31 3.69 -0.04 5.38 0.08 -0.46 -1.52 117.98 126.42 1xww s PHE 10 Ca 0.05 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.26 1xww s PHE 10 Cb -0.13 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.80 1xww s PHE 10 CO -0.12 0.42 -0.13 0.08 -0.10 0.00 0.00 175.22 175.38 1xww s VAL 11 N -0.41 1.12 0.01 -0.44 1.01 -0.19 -1.27 120.40 120.22 1xww s VAL 11 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1xww s VAL 11 Cb -0.18 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1xww s VAL 11 CO 0.16 0.34 0.01 0.00 0.00 0.00 0.00 175.10 175.60 1xww h LEU 13 N 0.00 -0.39 0.00 0.00 5.85 -1.95 -0.82 115.31 118.00 1xww h LEU 13 Ca -0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xww h LEU 13 Cb 0.04 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xww h LEU 13 CO 0.01 -0.04 -1.83 0.61 -0.34 0.00 0.00 178.44 176.86 1xww n GLY 14 N -0.40 -0.99 3.90 3.75 0.00 -1.26 -2.15 105.19 108.03 1xww n GLY 14 Ca -0.10 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1xww n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xww n ASN 15 N -2.13 -4.18 0.00 1.61 4.05 -1.26 -4.50 115.26 108.85 1xww n ASN 15 Ca -0.03 -0.80 0.00 0.00 0.45 0.00 0.00 54.58 54.21 1xww n ASN 15 Cb 0.53 -3.86 0.00 0.00 1.23 0.00 0.00 39.78 37.67 1xww n ASN 15 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1xww n ILE 16 N -4.62 0.00 0.00 -1.44 -5.35 -1.26 -4.52 119.36 102.17 1xww n ILE 16 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1xww n ILE 16 Cb 0.55 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1xww n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xww h ARG 18 N 0.00 -0.20 -0.04 0.00 3.08 -1.96 -3.10 114.38 112.16 1xww h ARG 18 Ca 0.00 0.01 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 1xww h ARG 18 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1xww h ARG 18 CO 0.00 0.23 -0.58 0.66 -1.07 0.00 0.00 179.97 179.21 1xww h SER 19 N -0.77 0.16 0.02 7.04 4.64 -1.89 0.48 113.55 123.23 1xww h SER 19 Ca -0.02 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.16 1xww h SER 19 Cb 0.53 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1xww h SER 19 CO 0.04 0.70 -0.14 -0.65 -0.87 0.00 0.00 176.83 175.91 1xww h PRO 20 N 0.10 0.25 -0.17 4.77 0.11 -1.85 -1.19 132.00 134.03 1xww h PRO 20 Ca -0.00 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 1xww h PRO 20 Cb 1.05 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1xww h PRO 20 CO 0.08 0.39 -0.09 0.82 -0.21 0.00 0.00 178.00 179.00 1xww h ILE 21 N 0.23 1.31 -0.46 4.15 2.04 -1.31 -2.03 117.51 121.45 1xww h ILE 21 Ca 0.05 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.81 1xww h ILE 21 Cb 0.39 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 1xww h ILE 21 CO 0.02 0.34 0.20 0.00 0.00 0.00 0.00 178.15 178.71 1xww h ALA 22 N 0.67 0.57 -0.19 1.87 0.00 -0.75 -0.12 119.26 121.32 1xww h ALA 22 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xww h ALA 22 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xww h ALA 22 CO 0.03 -0.17 0.12 1.49 0.00 0.00 0.00 179.25 180.72 1xww h GLU 23 N 0.40 0.26 -0.51 0.00 4.81 -1.20 -0.86 114.58 117.48 1xww h GLU 23 Ca 0.21 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 1xww h GLU 23 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xww h GLU 23 CO -0.18 0.20 -0.08 0.00 -0.73 0.00 0.00 179.01 178.23 1xww h ALA 24 N 1.04 0.90 -0.44 2.92 0.00 -1.05 -0.27 119.26 122.36 1xww h ALA 24 Ca 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1xww h ALA 24 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xww h ALA 24 CO -0.01 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.33 1xww h VAL 25 N 0.83 1.20 -0.44 0.00 2.07 -0.89 -1.29 116.25 117.73 1xww h VAL 25 Ca 0.14 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1xww h VAL 25 Cb 0.60 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xww h VAL 25 CO 0.04 0.23 0.09 0.15 0.02 0.00 0.00 177.57 178.10 1xww h PHE 26 N 0.57 0.76 -0.80 1.57 3.57 -0.94 -1.17 116.94 120.50 1xww h PHE 26 Ca 0.15 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1xww h PHE 26 Cb 0.19 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 1xww h PHE 26 CO 0.00 0.71 0.52 -0.09 -2.23 0.00 0.00 178.31 177.22 1xww h ARG 27 N 0.59 0.99 -0.59 1.11 2.43 -0.97 -1.33 114.38 116.61 1xww h ARG 27 Ca 0.14 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 1xww h ARG 27 Cb 0.35 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1xww h ARG 27 CO 0.01 0.65 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.87 1xww h LYS 28 N 1.02 1.05 0.24 0.20 1.63 -0.83 -1.51 116.57 118.37 1xww h LYS 28 Ca 0.31 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1xww h LYS 28 Cb -0.02 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 1xww h LYS 28 CO -0.10 1.04 -0.14 1.25 -3.45 0.00 0.00 179.45 178.05 1xww h LEU 29 N 0.96 -0.34 -1.10 5.20 5.85 -0.85 0.25 115.31 125.27 1xww h LEU 29 Ca 0.16 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1xww h LEU 29 Cb 0.59 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1xww h LEU 29 CO 0.04 -0.23 -0.42 -0.37 -0.34 0.00 0.00 178.44 177.11 1xww h VAL 30 N -0.36 1.31 -0.24 1.05 -1.51 -1.19 -1.01 116.25 114.29 1xww h VAL 30 Ca -0.03 -1.48 -0.13 0.00 -1.23 0.00 0.00 66.70 63.84 1xww h VAL 30 Cb 0.30 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1xww h VAL 30 CO 0.03 0.43 -0.34 0.74 -1.23 0.00 0.00 177.57 177.20 1xww h THR 31 N 0.04 1.31 -0.45 7.19 2.02 -1.03 -0.59 112.91 121.40 1xww h THR 31 Ca 0.00 -1.53 0.07 0.00 0.77 0.00 0.00 66.41 65.71 1xww h THR 31 Cb 0.77 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1xww h THR 31 CO 0.06 0.48 0.31 0.44 0.37 0.00 0.00 175.52 177.18 1xww h ASP 32 N 0.38 0.30 -0.32 4.18 3.32 -0.01 -2.32 116.42 121.94 1xww h ASP 32 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1xww h ASP 32 Cb 0.92 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1xww h ASP 32 CO 0.08 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1xww n GLN 33 N -4.47 1.92 -4.05 3.56 6.02 -0.43 -4.94 117.38 114.99 1xww n GLN 33 Ca 0.06 -1.41 -0.33 0.00 -0.01 0.00 0.00 57.00 55.31 1xww n GLN 33 Cb 0.28 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1xww n GLN 33 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xww n ASN 34 N 0.63 -4.22 -0.75 1.08 5.15 -0.87 -4.88 115.26 111.40 1xww n ASN 34 Ca 0.15 -0.88 0.04 0.00 -0.60 0.00 0.00 54.58 53.30 1xww n ASN 34 Cb 0.37 -3.41 0.07 0.00 -0.53 0.00 0.00 39.78 36.28 1xww n ASN 34 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xww n ILE 35 N -4.56 0.79 -0.03 -1.44 -5.35 -0.26 -4.84 119.36 103.67 1xww n ILE 35 Ca 0.06 -1.38 0.11 0.00 -0.27 0.00 0.00 62.75 61.27 1xww n ILE 35 Cb 0.51 0.37 0.52 0.00 -1.74 0.00 0.00 39.64 39.30 1xww n ILE 35 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1xww h SER 36 N 0.51 0.32 0.72 7.28 4.64 -1.82 -1.60 113.55 123.60 1xww h SER 36 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xww h SER 36 Cb 1.40 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1xww h SER 36 CO 0.03 0.20 0.00 -0.62 -0.87 0.00 0.00 176.83 175.57 1xww n GLU 37 N -4.47 0.20 0.00 4.77 -0.58 -1.26 -2.08 120.64 117.22 1xww n GLU 37 Ca 0.08 0.43 0.14 0.00 -0.42 0.00 0.00 57.16 57.39 1xww n GLU 37 Cb 0.32 -1.89 0.46 0.00 -0.57 0.00 0.00 31.44 29.77 1xww n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xww n ASN 38 N -2.26 1.60 -4.19 1.62 5.03 -0.60 -4.90 115.26 111.55 1xww n ASN 38 Ca 0.02 -1.48 -0.25 0.00 0.87 0.00 0.00 54.58 53.73 1xww n ASN 38 Cb 0.23 0.02 -0.15 0.00 -1.02 0.00 0.00 39.78 38.86 1xww n ASN 38 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1xww s TRP 39 N -2.06 1.67 -0.19 3.10 0.52 -0.88 -1.20 118.94 119.89 1xww s TRP 39 Ca 0.35 -0.32 -0.04 0.00 0.02 0.00 0.00 56.10 56.11 1xww s TRP 39 Cb 0.21 -1.06 -0.02 0.00 -1.15 0.00 0.00 33.47 31.44 1xww s TRP 39 CO 0.35 -0.01 -0.02 0.08 0.02 0.00 0.00 176.95 177.38 1xww s VAL 40 N -0.50 3.85 -0.04 4.03 1.01 -0.19 -4.96 120.40 123.60 1xww s VAL 40 Ca 0.07 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1xww s VAL 40 Cb -0.07 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1xww s VAL 40 CO -0.00 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 1xww s ILE 41 N 0.88 1.06 0.23 2.22 1.01 -1.26 -1.09 121.20 124.25 1xww s ILE 41 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1xww s ILE 41 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1xww s ILE 41 CO 0.02 0.32 0.41 -0.62 0.00 0.00 0.00 174.94 175.08 1xww s ASP 42 N 0.33 -0.05 0.18 3.58 2.15 -0.78 -5.01 116.67 117.07 1xww s ASP 42 Ca -0.07 -0.97 0.03 0.00 0.43 0.00 0.00 52.55 51.97 1xww s ASP 42 Cb -0.12 0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 43.00 1xww s ASP 42 CO 0.02 -1.07 -0.04 -0.94 -0.17 0.00 0.00 175.17 172.97 1xww s SER 43 N -3.03 1.64 0.15 -0.34 1.04 -1.26 -1.35 113.70 110.56 1xww s SER 43 Ca 0.24 -1.12 -0.25 0.00 0.48 0.00 0.00 55.95 55.30 1xww s SER 43 Cb 0.01 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.22 1xww s SER 43 CO 0.08 -0.46 0.87 -0.83 0.98 0.00 0.00 173.24 173.89 1xww s GLY 44 N -3.21 -0.27 0.11 7.32 0.00 -0.40 -4.65 107.32 106.21 1xww s GLY 44 Ca 0.22 0.20 0.07 0.00 0.00 0.00 0.00 44.72 45.22 1xww s GLY 44 CO 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 173.10 173.10 1xww s ALA 45 N -3.42 2.99 0.15 3.20 0.00 0.17 -2.42 121.76 122.43 1xww s ALA 45 Ca 0.10 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1xww s ALA 45 Cb -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.22 1xww s ALA 45 CO 0.00 0.64 1.67 0.28 0.00 0.00 0.00 175.76 178.36 1xww h VAL 46 N 3.18 1.23 -2.59 0.00 2.07 -1.12 -0.93 116.25 118.09 1xww h VAL 46 Ca -0.49 -0.79 -0.44 0.00 0.82 0.00 0.00 66.70 65.80 1xww h VAL 46 Cb 1.17 0.78 0.05 0.00 -1.52 0.00 0.00 31.29 31.77 1xww h VAL 46 CO 0.53 0.29 -0.01 -0.94 0.02 0.00 0.00 177.57 177.46 1xww s SER 47 N -6.10 5.21 -0.02 0.57 1.04 -0.92 -4.76 113.70 108.73 1xww s SER 47 Ca -0.13 0.01 0.15 0.00 0.48 0.00 0.00 55.95 56.46 1xww s SER 47 Cb 0.12 -0.86 0.45 0.00 0.10 0.00 0.00 66.02 65.83 1xww s SER 47 CO 0.79 -1.20 1.38 -0.90 0.98 0.00 0.00 173.24 174.29 1xww n ASP 48 N -2.40 3.44 -0.32 7.02 3.85 -1.26 -4.46 116.55 122.41 1xww n ASP 48 Ca 0.08 -2.09 0.06 0.00 -0.71 0.00 0.00 54.79 52.13 1xww n ASP 48 Cb 0.60 -0.35 0.22 0.00 -1.35 0.00 0.00 41.12 40.23 1xww n ASP 48 CO 0.00 0.00 0.00 -0.50 -1.01 0.00 0.00 177.20 175.69 1xww h TRP 49 N 2.86 0.95 -0.08 2.11 6.55 -1.91 -3.14 115.95 123.29 1xww h TRP 49 Ca 0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1xww h TRP 49 Cb 0.91 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 1xww h TRP 49 CO 0.37 0.34 0.00 0.09 -1.05 0.00 0.00 178.44 178.18 1xww n ASN 50 N -4.73 2.64 -4.65 -3.49 4.13 -1.26 -5.06 115.26 102.84 1xww n ASN 50 Ca 0.17 -2.79 -0.47 0.00 1.68 0.00 0.00 54.58 53.17 1xww n ASN 50 Cb 0.36 -0.36 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1xww n ASN 50 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1xww n VAL 51 N -0.92 0.26 0.00 2.41 0.31 -1.19 -1.58 118.33 117.62 1xww n VAL 51 Ca 0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1xww n VAL 51 Cb 0.60 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1xww n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xww n GLY 52 N 2.88 1.72 3.81 2.92 0.00 0.56 -4.91 105.19 112.17 1xww n GLY 52 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1xww n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xww s ARG 53 N -0.63 4.29 0.82 1.61 0.52 -0.62 -4.51 118.95 120.43 1xww s ARG 53 Ca 0.00 0.94 -0.11 0.00 -0.52 0.00 0.00 55.73 56.04 1xww s ARG 53 Cb 0.00 -2.79 0.08 0.00 0.52 0.00 0.00 34.95 32.76 1xww s ARG 53 CO 0.00 0.33 1.09 -1.12 0.02 0.00 0.00 175.30 175.62 1xww s SER 54 N -1.73 4.17 0.79 0.23 0.01 -1.26 -0.45 113.70 115.45 1xww s SER 54 Ca 0.46 1.58 -0.14 0.00 1.31 0.00 0.00 55.95 59.17 1xww s SER 54 Cb -0.16 -2.30 0.07 0.00 0.21 0.00 0.00 66.02 63.84 1xww s SER 54 CO 0.21 -2.21 1.19 -2.65 0.41 0.00 0.00 173.24 170.19 1xww n PRO 55 N -3.62 0.29 -1.59 12.44 -0.02 -1.26 -4.85 135.00 136.39 1xww n PRO 55 Ca 0.08 0.17 -0.48 0.00 -2.02 0.00 0.00 63.50 61.25 1xww n PRO 55 Cb 0.54 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1xww n PRO 55 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xww n ASP 56 N -3.03 1.48 -0.03 2.55 -0.08 0.21 -4.72 116.55 112.93 1xww n ASP 56 Ca 0.14 1.14 0.21 0.00 -1.51 0.00 0.00 54.79 54.77 1xww n ASP 56 Cb 0.50 -1.24 0.70 0.00 2.34 0.00 0.00 41.12 43.42 1xww n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xww h PRO 57 N 3.40 0.00 -0.82 -0.67 0.11 -1.90 0.15 132.00 132.28 1xww h PRO 57 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1xww h PRO 57 Cb 1.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1xww h PRO 57 CO 0.70 0.00 0.35 0.00 -0.21 0.00 0.00 178.00 178.84 1xww h ARG 58 N 0.00 1.21 -0.31 1.05 3.08 -1.96 -0.75 114.38 116.69 1xww h ARG 58 Ca 0.28 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1xww h ARG 58 Cb 1.11 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1xww h ARG 58 CO -0.00 0.96 -0.06 0.00 -1.07 0.00 0.00 179.97 179.80 1xww h ALA 59 N 1.19 0.43 -0.58 0.04 0.00 -1.04 0.40 119.26 119.70 1xww h ALA 59 Ca 0.28 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xww h ALA 59 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1xww h ALA 59 CO -0.03 0.24 0.33 0.28 0.00 0.00 0.00 179.25 180.07 1xww h VAL 60 N 0.37 1.02 -0.10 0.00 2.07 -1.28 -1.07 116.25 117.25 1xww h VAL 60 Ca 0.08 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1xww h VAL 60 Cb 0.53 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1xww h VAL 60 CO 0.03 0.12 -0.01 -1.28 0.02 0.00 0.00 177.57 176.44 1xww h SER 61 N 0.64 0.19 -0.66 0.57 0.87 -1.10 0.20 113.55 114.25 1xww h SER 61 Ca 0.24 -0.34 0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1xww h SER 61 Cb 0.08 -0.05 -0.13 0.00 -0.44 0.00 0.00 62.40 61.87 1xww h SER 61 CO -0.13 0.48 -0.24 0.00 -0.53 0.00 0.00 176.83 176.41 1xww h LEU 63 N -0.07 0.87 -1.28 0.00 3.38 -0.98 -2.65 115.31 114.58 1xww h LEU 63 Ca 0.30 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1xww h LEU 63 Cb 0.53 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1xww h LEU 63 CO -0.71 0.77 0.07 0.03 0.09 0.00 0.00 178.44 178.69 1xww h ARG 64 N 0.91 0.56 -0.01 1.13 3.08 -0.46 -0.42 114.38 119.18 1xww h ARG 64 Ca 0.22 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xww h ARG 64 Cb 0.14 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1xww h ARG 64 CO -0.03 0.53 0.01 -0.91 -1.07 0.00 0.00 179.97 178.51 1xww h ASN 65 N 0.55 0.00 -0.43 7.04 -0.26 -0.72 -1.86 115.58 119.90 1xww h ASN 65 Ca 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 1xww h ASN 65 Cb 0.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1xww h ASN 65 CO -0.00 0.00 0.00 1.41 -1.06 0.00 0.00 177.43 177.78 1xww n HIS 66 N -4.00 1.30 -1.21 1.19 8.25 -0.45 -4.98 115.22 115.34 1xww n HIS 66 Ca -0.03 -0.74 -0.05 0.00 -0.26 0.00 0.00 57.72 56.64 1xww n HIS 66 Cb 0.09 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 30.86 1xww n HIS 66 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xww n GLY 67 N 0.25 0.73 3.41 -1.41 0.00 -0.70 -5.03 105.19 102.44 1xww n GLY 67 Ca 0.23 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 1xww n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xww s ILE 68 N -2.19 2.84 0.13 -0.61 1.01 -0.30 -4.99 121.20 117.09 1xww s ILE 68 Ca 0.00 -0.79 0.11 0.00 0.00 0.00 0.00 60.65 59.97 1xww s ILE 68 Cb 0.00 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1xww s ILE 68 CO 0.00 0.57 -0.26 -1.00 0.00 0.00 0.00 174.94 174.25 1xww s HIS 69 N -0.36 2.23 -0.00 3.97 3.76 -1.26 -2.71 115.29 120.92 1xww s HIS 69 Ca 0.03 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1xww s HIS 69 Cb -0.12 -1.20 -0.00 0.00 1.11 0.00 0.00 32.58 32.37 1xww s HIS 69 CO 0.02 0.34 -0.03 -0.08 -0.85 0.00 0.00 174.74 174.13 1xww s THR 70 N -1.14 0.27 -0.20 1.30 -1.32 -1.26 -4.98 115.64 108.30 1xww s THR 70 Ca 0.14 -0.17 0.16 0.00 -1.21 0.00 0.00 61.69 60.60 1xww s THR 70 Cb -0.10 -0.23 0.63 0.00 -1.51 0.00 0.00 72.50 71.29 1xww s THR 70 CO 0.06 0.06 1.54 0.00 -2.21 0.00 0.00 174.62 174.07 1xww n ALA 71 N 2.95 3.32 -1.77 11.08 0.00 -1.26 -5.00 120.51 129.82 1xww n ALA 71 Ca -0.13 -2.19 -0.38 0.00 0.00 0.00 0.00 53.44 50.75 1xww n ALA 71 Cb 0.59 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1xww n ALA 71 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1xww s HIS 72 N -2.82 2.87 -0.04 0.00 5.04 -1.26 -5.05 115.29 114.03 1xww s HIS 72 Ca 0.47 1.52 0.06 0.00 -1.54 0.00 0.00 55.06 55.57 1xww s HIS 72 Cb 0.37 -3.44 -0.01 0.00 0.04 0.00 0.00 32.58 29.54 1xww s HIS 72 CO 0.11 -1.62 -0.22 0.15 -2.34 0.00 0.00 174.74 170.82 1xww s LYS 73 N -2.60 2.09 0.37 2.88 -0.14 -1.26 -4.22 119.74 116.86 1xww s LYS 73 Ca 0.62 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 54.15 1xww s LYS 73 Cb -0.31 -1.87 -0.11 0.00 -1.68 0.00 0.00 37.83 33.86 1xww s LYS 73 CO 0.38 0.40 1.49 0.00 -0.76 0.00 0.00 175.35 176.85 1xww n ALA 74 N 2.81 2.33 -2.53 5.17 0.00 0.40 -4.76 120.51 123.94 1xww n ALA 74 Ca -0.17 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 1xww n ALA 74 Cb 0.52 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.46 1xww n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1xww s ARG 75 N -1.94 0.61 0.13 0.00 1.70 -1.26 -0.32 118.95 117.86 1xww s ARG 75 Ca 0.54 -0.91 -0.22 0.00 -0.47 0.00 0.00 55.73 54.68 1xww s ARG 75 Cb -0.48 0.23 -0.07 0.00 -0.57 0.00 0.00 34.95 34.05 1xww s ARG 75 CO 0.62 -0.15 0.67 -1.14 -1.08 0.00 0.00 175.30 174.23 1xww s GLN 76 N -3.08 4.35 0.43 3.89 0.74 -1.26 -0.65 119.66 124.08 1xww s GLN 76 Ca -0.01 0.92 -0.25 0.00 0.05 0.00 0.00 55.36 56.07 1xww s GLN 76 Cb 0.02 -3.20 -0.09 0.00 1.10 0.00 0.00 33.01 30.83 1xww s GLN 76 CO -0.07 0.58 1.26 1.51 -0.55 0.00 0.00 175.29 178.02 1xww n ILE 77 N 1.53 2.63 -4.56 -2.34 3.06 -0.35 -4.76 119.36 114.56 1xww n ILE 77 Ca -0.07 -0.50 -0.26 0.00 -2.50 0.00 0.00 62.75 59.42 1xww n ILE 77 Cb 0.50 -1.55 -0.11 0.00 0.54 0.00 0.00 39.64 39.02 1xww n ILE 77 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1xww s THR 78 N -1.21 1.91 0.28 9.51 -4.23 -1.26 -5.00 115.64 115.63 1xww s THR 78 Ca 0.62 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1xww s THR 78 Cb -0.50 -2.85 0.26 0.00 1.34 0.00 0.00 72.50 70.74 1xww s THR 78 CO 0.57 -0.07 1.95 0.11 -0.54 0.00 0.00 174.62 176.65 1xww h LYS 79 N 1.91 1.19 -0.29 3.99 1.57 -1.97 -2.12 116.57 120.85 1xww h LYS 79 Ca -0.43 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 1xww h LYS 79 Cb 1.24 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1xww h LYS 79 CO 0.76 0.79 -0.03 0.93 -0.57 0.00 0.00 179.45 181.33 1xww h GLU 80 N 1.22 0.46 -0.98 3.15 3.07 -1.96 -2.62 114.58 116.92 1xww h GLU 80 Ca 0.33 -0.10 0.18 0.00 -0.50 0.00 0.00 59.36 59.27 1xww h GLU 80 Cb -0.13 -0.07 -0.09 0.00 -0.84 0.00 0.00 28.75 27.62 1xww h GLU 80 CO -0.07 0.51 0.61 -0.44 -1.40 0.00 0.00 179.01 178.22 1xww h ASP 81 N 0.44 0.71 0.47 1.42 3.32 -1.78 -1.69 116.42 119.31 1xww h ASP 81 Ca 0.09 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 1xww h ASP 81 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xww h ASP 81 CO 0.01 0.28 -0.26 -0.26 -1.72 0.00 0.00 179.24 177.30 1xww h PHE 82 N 0.71 0.00 0.00 4.55 0.04 -1.55 -2.55 116.94 118.13 1xww h PHE 82 Ca 0.54 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.31 1xww h PHE 82 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1xww h PHE 82 CO -0.00 0.26 -0.61 0.00 -0.60 0.00 0.00 178.31 177.36 1xww h ALA 83 N 1.74 0.70 0.00 2.45 0.00 -1.35 0.60 119.26 123.40 1xww h ALA 83 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xww h ALA 83 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xww h ALA 83 CO 0.03 0.00 -1.73 0.25 0.00 0.00 0.00 179.25 177.80 1xww n THR 84 N -2.84 0.45 -3.70 0.00 -2.24 -0.77 -4.58 114.28 100.61 1xww n THR 84 Ca 0.02 -0.42 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1xww n THR 84 Cb 0.54 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 1xww n THR 84 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xww s PHE 85 N -2.58 3.64 0.15 4.78 0.40 -0.99 -4.94 117.98 118.44 1xww s PHE 85 Ca -0.05 0.71 -0.08 0.00 -0.60 0.00 0.00 56.93 56.91 1xww s PHE 85 Cb 0.06 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 1xww s PHE 85 CO 0.52 0.66 1.44 -0.44 0.70 0.00 0.00 175.22 178.11 1xww h ASP 86 N 4.53 0.83 -4.13 1.36 3.32 -1.82 -3.10 116.42 117.41 1xww h ASP 86 Ca -0.52 -0.45 -0.41 0.00 0.02 0.00 0.00 57.03 55.67 1xww h ASP 86 Cb 1.22 -0.24 -0.28 0.00 0.22 0.00 0.00 39.33 40.25 1xww h ASP 86 CO 0.62 1.21 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.26 1xww s TYR 87 N -4.07 0.92 -0.21 4.55 2.02 -0.93 -1.76 117.35 117.88 1xww s TYR 87 Ca -0.09 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1xww s TYR 87 Cb 0.11 -0.58 0.05 0.00 -0.40 0.00 0.00 41.96 41.13 1xww s TYR 87 CO 0.87 -0.01 -0.08 0.42 -1.57 0.00 0.00 175.55 175.18 1xww s ILE 88 N -0.36 1.54 -0.19 2.71 1.01 -0.65 -1.27 121.20 123.97 1xww s ILE 88 Ca 0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.64 1xww s ILE 88 Cb -0.05 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1xww s ILE 88 CO -0.00 0.07 -0.14 -0.76 0.00 0.00 0.00 174.94 174.11 1xww s LEU 89 N 1.43 2.44 0.44 2.97 1.43 -0.58 -1.28 118.68 125.53 1xww s LEU 89 Ca -0.03 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.59 1xww s LEU 89 Cb -0.17 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 1xww s LEU 89 CO -0.07 0.00 0.02 0.00 0.23 0.00 0.00 176.35 176.53 1xww n MET 91 N -1.07 0.66 -4.30 0.00 0.00 -1.11 -0.41 117.12 110.89 1xww n MET 91 Ca -0.08 0.35 -0.18 0.00 0.00 0.00 0.00 57.70 57.79 1xww n MET 91 Cb 0.67 -1.67 -0.09 0.00 0.00 0.00 0.00 33.22 32.13 1xww n MET 91 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1xww s ASP 92 N -6.97 1.41 0.33 7.83 1.47 -1.26 -1.36 116.67 118.11 1xww s ASP 92 Ca -0.28 -1.62 0.00 0.00 1.18 0.00 0.00 52.55 51.83 1xww s ASP 92 Cb 0.08 0.47 0.54 0.00 -0.34 0.00 0.00 42.92 43.67 1xww s ASP 92 CO 0.66 -0.96 1.99 -0.33 0.68 0.00 0.00 175.17 177.21 1xww h GLU 93 N 2.23 0.96 -0.48 2.11 5.08 -1.96 -1.63 114.58 120.89 1xww h GLU 93 Ca -0.30 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 57.90 1xww h GLU 93 Cb 1.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1xww h GLU 93 CO 0.46 0.63 -0.09 0.66 -1.00 0.00 0.00 179.01 179.67 1xww h SER 94 N 0.99 0.91 -0.72 1.42 4.64 -1.99 -0.95 113.55 117.84 1xww h SER 94 Ca 0.27 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1xww h SER 94 Cb -0.11 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.70 1xww h SER 94 CO -0.06 1.04 0.33 0.78 -0.87 0.00 0.00 176.83 178.05 1xww h ASN 95 N 0.75 0.96 -0.41 4.97 -0.26 -1.79 -1.47 115.58 118.32 1xww h ASN 95 Ca 0.12 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1xww h ASN 95 Cb 0.63 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1xww h ASN 95 CO 0.04 0.84 0.14 0.25 -1.06 0.00 0.00 177.43 177.63 1xww h LEU 96 N 1.01 0.59 -0.41 1.61 5.85 -0.94 0.04 115.31 123.06 1xww h LEU 96 Ca 0.24 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1xww h LEU 96 Cb 0.15 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1xww h LEU 96 CO -0.03 0.63 0.24 0.03 -0.34 0.00 0.00 178.44 178.98 1xww h ARG 97 N 0.52 0.48 -0.48 1.25 3.08 -1.09 -0.43 114.38 117.71 1xww h ARG 97 Ca 0.13 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 1xww h ARG 97 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1xww h ARG 97 CO -0.01 0.32 0.03 -0.44 -1.07 0.00 0.00 179.97 178.80 1xww h ASP 98 N 0.49 0.80 -0.20 7.04 3.45 -0.91 -1.42 116.42 125.67 1xww h ASP 98 Ca 0.16 -0.29 -0.14 0.00 0.43 0.00 0.00 57.03 57.19 1xww h ASP 98 Cb 0.01 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1xww h ASP 98 CO -0.07 0.89 -0.38 -0.07 -1.57 0.00 0.00 179.24 178.04 1xww h LEU 99 N 0.69 0.78 -1.00 1.55 3.38 -0.82 -1.63 115.31 118.25 1xww h LEU 99 Ca 0.14 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1xww h LEU 99 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xww h LEU 99 CO 0.02 1.07 -0.08 0.78 0.09 0.00 0.00 178.44 180.32 1xww h ASN 100 N 0.61 0.60 -0.10 -0.43 2.35 -0.98 0.76 115.58 118.40 1xww h ASN 100 Ca 0.05 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1xww h ASN 100 Cb 0.92 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1xww h ASN 100 CO 0.08 0.73 0.03 -0.09 -1.65 0.00 0.00 177.43 176.54 1xww h ARG 101 N 0.58 0.15 -0.71 0.81 2.43 -1.11 -2.48 114.38 114.05 1xww h ARG 101 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1xww h ARG 101 Cb 0.49 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1xww h ARG 101 CO 0.03 0.29 0.45 0.87 -1.51 0.00 0.00 179.97 180.09 1xww h LYS 102 N -0.02 0.95 -0.11 0.20 1.57 -1.11 -2.43 116.57 115.62 1xww h LYS 102 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1xww h LYS 102 Cb 0.20 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xww h LYS 102 CO -0.00 0.65 -0.01 0.66 -0.57 0.00 0.00 179.45 180.18 1xww h SER 103 N 0.96 0.14 0.40 0.86 4.64 -0.80 -0.82 113.55 118.93 1xww h SER 103 Ca 0.26 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 1xww h SER 103 Cb -0.07 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1xww h SER 103 CO -0.05 0.18 -0.20 -1.13 -0.87 0.00 0.00 176.83 174.76 1xww h ASN 104 N 0.15 0.00 0.28 4.97 -0.73 -0.96 -2.99 115.58 116.31 1xww h ASN 104 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1xww h ASN 104 Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1xww h ASN 104 CO 0.00 0.20 -0.18 0.00 -0.37 0.00 0.00 177.43 177.08 1xww n GLN 105 N -3.82 0.80 -4.17 6.67 1.13 -0.32 -4.88 117.38 112.78 1xww n GLN 105 Ca -0.02 -0.40 -0.26 0.00 -1.94 0.00 0.00 57.00 54.39 1xww n GLN 105 Cb 0.30 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.09 1xww n GLN 105 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1xww s VAL 106 N -2.47 3.93 0.04 5.09 -7.23 -1.13 -5.06 120.40 113.58 1xww s VAL 106 Ca 0.27 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1xww s VAL 106 Cb 0.20 -3.00 -0.27 0.00 0.56 0.00 0.00 36.38 33.87 1xww s VAL 106 CO 0.49 -0.13 1.00 0.50 -0.31 0.00 0.00 175.10 176.65 1xww h LYS 107 N 2.54 0.21 -4.94 4.82 1.63 -1.90 -3.44 116.57 115.50 1xww h LYS 107 Ca -0.47 -0.37 -0.67 0.00 -0.85 0.00 0.00 60.65 58.29 1xww h LYS 107 Cb 1.21 0.14 -0.34 0.00 -0.60 0.00 0.00 32.23 32.63 1xww h LYS 107 CO 0.60 1.11 -0.79 0.99 -3.45 0.00 0.00 179.45 177.90 1xww s THR 108 N -2.64 2.50 -0.38 1.00 2.01 -1.26 -5.05 115.64 111.81 1xww s THR 108 Ca -0.06 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.81 1xww s THR 108 Cb 0.07 -2.26 0.12 0.00 0.01 0.00 0.00 72.50 70.44 1xww s THR 108 CO 0.86 0.23 0.17 0.00 -0.69 0.00 0.00 174.62 175.19 1xww h LYS 110 N 7.32 0.17 -6.71 0.00 3.64 -1.15 -3.48 116.57 116.37 1xww h LYS 110 Ca -0.06 -0.26 -0.53 0.00 -1.27 0.00 0.00 60.65 58.53 1xww h LYS 110 Cb 0.97 0.09 0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1xww h LYS 110 CO 0.47 1.09 0.72 0.00 -2.27 0.00 0.00 179.45 179.47 1xww s ALA 111 N -2.81 3.59 -0.21 5.00 0.00 -0.82 -4.85 121.76 121.67 1xww s ALA 111 Ca -0.02 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.91 1xww s ALA 111 Cb 0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1xww s ALA 111 CO 0.85 -0.66 0.96 0.21 0.00 0.00 0.00 175.76 177.11 1xww s LYS 112 N -0.18 4.27 -0.29 0.00 2.20 -0.72 -4.89 119.74 120.12 1xww s LYS 112 Ca 0.59 1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 57.31 1xww s LYS 112 Cb -0.40 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.28 1xww s LYS 112 CO 0.40 -0.52 0.16 0.42 -0.36 0.00 0.00 175.35 175.45 1xww s ILE 113 N 2.83 4.87 0.04 5.43 1.01 -1.26 -1.64 121.20 132.47 1xww s ILE 113 Ca 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.88 1xww s ILE 113 Cb -0.16 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1xww s ILE 113 CO 0.09 0.16 0.02 -1.61 0.00 0.00 0.00 174.94 173.60 1xww s GLU 114 N 1.68 0.51 0.20 2.79 2.02 -0.41 -5.00 118.70 120.48 1xww s GLU 114 Ca 0.06 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 1xww s GLU 114 Cb -0.16 0.19 -0.10 0.00 0.10 0.00 0.00 34.13 34.15 1xww s GLU 114 CO 0.08 -0.11 1.58 -0.51 0.02 0.00 0.00 175.26 176.32 1xww s LEU 115 N -2.13 4.37 0.24 1.80 1.43 -1.26 -0.60 118.68 122.53 1xww s LEU 115 Ca -0.05 2.70 -0.07 0.00 -1.03 0.00 0.00 54.13 55.68 1xww s LEU 115 Cb -0.01 -3.60 0.27 0.00 0.03 0.00 0.00 46.19 42.87 1xww s LEU 115 CO -0.05 -0.84 1.89 0.25 0.23 0.00 0.00 176.35 177.83 1xww h LEU 116 N 6.35 0.97 -1.51 1.79 5.85 -1.02 -1.59 115.31 126.16 1xww h LEU 116 Ca -0.44 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1xww h LEU 116 Cb 1.21 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1xww h LEU 116 CO 0.89 0.67 0.00 1.23 -0.34 0.00 0.00 178.44 180.89 1xww h GLY 117 N 1.13 0.00 2.00 3.75 0.00 -1.77 -1.83 103.07 106.35 1xww h GLY 117 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1xww h GLY 117 CO -0.11 0.00 0.00 1.48 0.00 0.00 0.00 176.54 177.91 1xww h SER 118 N 0.00 0.00 0.30 0.19 4.64 -1.46 -1.95 113.55 115.26 1xww h SER 118 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xww h SER 118 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xww h SER 118 CO 0.00 0.00 -0.59 -1.22 -0.87 0.00 0.00 176.83 174.15 1xww n TYR 119 N -2.43 0.00 -1.97 4.77 4.02 -0.69 -4.93 117.16 115.93 1xww n TYR 119 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 1xww n TYR 119 Cb 0.08 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 1xww n TYR 119 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xww s ASP 120 N -2.88 6.62 0.56 7.72 2.15 -0.73 -4.69 116.67 125.41 1xww s ASP 120 Ca 0.13 2.26 0.26 0.00 0.43 0.00 0.00 52.55 55.63 1xww s ASP 120 Cb 0.17 -2.53 1.63 0.00 -0.30 0.00 0.00 42.92 41.89 1xww s ASP 120 CO 0.71 -0.96 2.19 -0.65 -0.17 0.00 0.00 175.17 176.28 1xww h PRO 121 N 9.76 0.00 -0.18 4.34 0.11 -1.90 -1.80 132.00 142.34 1xww h PRO 121 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xww h PRO 121 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xww h PRO 121 CO 0.95 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 179.82 1xww n GLN 122 N -3.96 1.70 -1.59 1.05 1.13 -1.26 -4.95 117.38 109.51 1xww n GLN 122 Ca -0.03 -1.06 -0.13 0.00 -1.94 0.00 0.00 57.00 53.85 1xww n GLN 122 Cb 0.12 -1.37 -0.04 0.00 0.11 0.00 0.00 30.24 29.05 1xww n GLN 122 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1xww n LYS 123 N 0.29 -0.92 -2.72 -1.09 4.76 -0.68 -4.95 118.16 112.85 1xww n LYS 123 Ca 0.15 0.87 -0.42 0.00 -2.87 0.00 0.00 58.31 56.04 1xww n LYS 123 Cb 0.31 -4.95 -0.02 0.00 -1.84 0.00 0.00 35.03 28.52 1xww n LYS 123 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1xww s GLN 124 N -3.47 3.66 0.36 1.97 -1.52 -1.26 -4.87 119.66 114.53 1xww s GLN 124 Ca 0.00 -1.52 0.16 0.00 -1.95 0.00 0.00 55.36 52.05 1xww s GLN 124 Cb 0.00 -5.20 0.65 0.00 -0.22 0.00 0.00 33.01 28.25 1xww s GLN 124 CO 0.00 -2.03 1.74 1.25 -0.25 0.00 0.00 175.29 176.00 1xww h LEU 125 N 11.72 0.00 -8.80 2.90 5.85 -1.93 -3.43 115.31 121.62 1xww h LEU 125 Ca 0.21 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 58.28 1xww h LEU 125 Cb 0.99 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.79 1xww h LEU 125 CO 1.30 0.42 -0.71 -0.63 -0.34 0.00 0.00 178.44 178.49 1xww s ILE 126 N -3.74 3.56 -0.45 4.05 -1.09 -1.26 -3.80 121.20 118.47 1xww s ILE 126 Ca -0.01 -0.49 -0.12 0.00 -2.23 0.00 0.00 60.65 57.80 1xww s ILE 126 Cb 0.12 -2.52 0.08 0.00 -1.58 0.00 0.00 42.46 38.56 1xww s ILE 126 CO 0.71 0.52 0.34 -0.63 -1.23 0.00 0.00 174.94 174.65 1xww s ILE 127 N 0.18 4.74 0.33 2.92 1.01 -0.47 -5.02 121.20 124.89 1xww s ILE 127 Ca -0.04 -1.29 -0.23 0.00 0.00 0.00 0.00 60.65 59.10 1xww s ILE 127 Cb -0.14 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1xww s ILE 127 CO 0.04 -0.58 0.89 -1.61 0.00 0.00 0.00 174.94 173.67 1xww s GLU 128 N 1.53 4.40 -0.13 2.79 0.41 -1.26 -4.41 118.70 122.02 1xww s GLU 128 Ca 0.04 1.15 -0.31 0.00 -0.41 0.00 0.00 54.97 55.43 1xww s GLU 128 Cb -0.24 -2.64 -0.09 0.00 -1.78 0.00 0.00 34.13 29.38 1xww s GLU 128 CO 0.04 0.22 2.05 -3.47 -0.49 0.00 0.00 175.26 173.61 1xww n ASP 129 N 0.24 3.41 -0.43 -0.19 -0.08 -1.26 -4.88 116.55 113.36 1xww n ASP 129 Ca 0.02 0.65 0.14 0.00 -1.51 0.00 0.00 54.79 54.10 1xww n ASP 129 Cb 0.51 -1.45 0.56 0.00 2.34 0.00 0.00 41.12 43.09 1xww n ASP 129 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xww n PRO 130 N 7.71 1.59 -0.36 -0.67 -0.04 -1.26 -4.60 135.00 137.36 1xww n PRO 130 Ca 0.27 -0.85 0.05 0.00 -0.04 0.00 0.00 63.50 62.92 1xww n PRO 130 Cb 0.36 -1.47 0.21 0.00 -0.04 0.00 0.00 33.50 32.55 1xww n PRO 130 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1xww h TYR 131 N 2.05 1.16 -0.39 0.54 3.20 -1.97 0.38 116.97 121.95 1xww h TYR 131 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1xww h TYR 131 Cb 0.44 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1xww h TYR 131 CO 0.01 0.52 0.00 0.66 -1.64 0.00 0.00 178.16 177.71 1xww n TYR 132 N -4.57 0.51 -1.44 -3.82 4.01 -1.26 -4.93 117.16 105.65 1xww n TYR 132 Ca 0.17 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1xww n TYR 132 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1xww n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xww n GLY 133 N 1.16 1.87 1.18 2.72 0.00 0.13 -5.15 105.19 107.12 1xww n GLY 133 Ca 0.14 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 1xww n GLY 133 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xww n ASN 134 N 0.00 1.87 0.04 1.61 0.23 -1.26 -5.00 115.26 112.75 1xww n ASN 134 Ca 0.00 -1.74 0.11 0.00 -0.53 0.00 0.00 54.58 52.42 1xww n ASN 134 Cb 0.00 0.22 0.57 0.00 -2.08 0.00 0.00 39.78 38.48 1xww n ASN 134 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1xww h ASP 135 N 0.47 0.20 0.48 0.53 3.32 -1.97 -0.81 116.42 118.64 1xww h ASP 135 Ca -0.13 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.86 1xww h ASP 135 Cb 0.42 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1xww h ASP 135 CO 0.21 0.13 -0.31 0.77 -1.72 0.00 0.00 179.24 178.32 1xww h SER 136 N 0.23 0.00 -0.23 6.45 4.64 -1.99 -1.13 113.55 121.52 1xww h SER 136 Ca 0.17 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 1xww h SER 136 Cb 0.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1xww h SER 136 CO -0.03 0.31 -0.50 0.44 -0.87 0.00 0.00 176.83 176.17 1xww h ASP 137 N 0.00 0.89 -0.48 4.97 3.32 -1.53 -1.11 116.42 122.48 1xww h ASP 137 Ca -0.00 -0.46 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 1xww h ASP 137 Cb 0.63 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1xww h ASP 137 CO 0.04 1.23 -0.15 -0.26 -1.72 0.00 0.00 179.24 178.38 1xww h PHE 138 N 0.64 1.07 -0.53 4.55 -1.00 -1.30 -1.48 116.94 118.88 1xww h PHE 138 Ca 0.03 -0.24 0.02 0.00 2.81 0.00 0.00 57.97 60.58 1xww h PHE 138 Cb 1.09 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 40.36 1xww h PHE 138 CO 0.06 1.04 0.32 1.49 -1.61 0.00 0.00 178.31 179.61 1xww h GLU 139 N 0.79 0.63 -0.64 1.51 4.57 -1.08 -0.39 114.58 119.98 1xww h GLU 139 Ca 0.12 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1xww h GLU 139 Cb 0.71 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.10 1xww h GLU 139 CO 0.05 0.42 0.32 1.15 -1.18 0.00 0.00 179.01 179.77 1xww h THR 140 N 0.65 0.90 -0.60 0.32 2.02 -1.02 -0.94 112.91 114.24 1xww h THR 140 Ca 0.21 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1xww h THR 140 Cb -0.00 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 1xww h THR 140 CO -0.08 0.11 0.31 0.58 0.37 0.00 0.00 175.52 176.80 1xww h VAL 141 N 0.58 1.20 -0.11 3.16 2.07 -0.99 -0.15 116.25 122.02 1xww h VAL 141 Ca 0.30 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.30 1xww h VAL 141 Cb 0.26 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1xww h VAL 141 CO -0.22 0.23 -0.07 0.22 0.02 0.00 0.00 177.57 177.75 1xww h TYR 142 N 0.82 -0.17 -0.48 1.57 3.20 -0.57 0.02 116.97 121.36 1xww h TYR 142 Ca 0.21 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 1xww h TYR 142 Cb 0.08 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1xww h TYR 142 CO -0.00 -0.11 -0.15 1.96 -1.64 0.00 0.00 178.16 178.22 1xww h GLN 143 N -0.07 0.92 -0.38 1.82 1.08 -0.89 -0.97 115.11 116.63 1xww h GLN 143 Ca 0.07 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 56.93 1xww h GLN 143 Cb 0.17 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1xww h GLN 143 CO -0.15 1.00 0.23 1.96 -0.95 0.00 0.00 178.83 180.92 1xww h GLN 144 N 0.82 0.46 -0.98 1.46 4.20 -0.69 -2.30 115.11 118.07 1xww h GLN 144 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 1xww h GLN 144 Cb 0.69 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1xww h GLN 144 CO 0.05 0.30 0.65 0.00 -0.67 0.00 0.00 178.83 179.17 1xww h VAL 146 N 1.33 0.95 -0.58 0.00 2.07 -0.99 0.75 116.25 119.77 1xww h VAL 146 Ca 0.36 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.86 1xww h VAL 146 Cb -0.14 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1xww h VAL 146 CO -0.08 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.84 1xww h ARG 147 N 0.02 0.83 -0.09 1.57 3.08 -1.02 -1.42 114.38 117.35 1xww h ARG 147 Ca 0.03 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 1xww h ARG 147 Cb 0.04 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1xww h ARG 147 CO -0.06 0.66 -0.63 0.00 -1.07 0.00 0.00 179.97 178.87 1xww h ARG 150 N 1.02 0.09 -0.65 0.00 3.08 -1.21 -2.21 114.38 114.51 1xww h ARG 150 Ca 0.25 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1xww h ARG 150 Cb 0.13 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1xww h ARG 150 CO -0.03 0.16 0.16 0.00 -1.07 0.00 0.00 179.97 179.20 1xww h ALA 151 N 0.93 1.06 -0.87 0.04 0.00 -1.16 -2.94 119.26 116.31 1xww h ALA 151 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xww h ALA 151 Cb 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xww h ALA 151 CO -0.00 0.62 0.46 0.35 0.00 0.00 0.00 179.25 180.68 1xww h PHE 152 N 0.97 1.22 -0.74 0.00 3.57 -0.86 -2.50 116.94 118.60 1xww h PHE 152 Ca 0.21 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1xww h PHE 152 Cb 0.33 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1xww h PHE 152 CO 0.02 0.85 0.23 1.25 -2.23 0.00 0.00 178.31 178.43 1xww h LEU 153 N 1.22 1.08 -0.01 0.59 5.85 -1.24 0.34 115.31 123.15 1xww h LEU 153 Ca 0.30 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xww h LEU 153 Cb 0.06 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1xww h LEU 153 CO -0.05 1.01 0.00 -0.62 -0.34 0.00 0.00 178.44 178.44 1xww n GLU 154 N -4.26 0.16 -0.04 1.25 -0.58 -1.01 -3.44 120.64 112.72 1xww n GLU 154 Ca 0.06 0.13 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 1xww n GLU 154 Cb 0.23 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.28 1xww n GLU 154 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1xww n LYS 155 N -1.95 0.80 -2.94 3.49 5.02 -0.70 -4.98 118.16 116.89 1xww n LYS 155 Ca 0.06 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 1xww n LYS 155 Cb 0.39 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.92 1xww n LYS 155 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xww s ALA 156 N -2.96 3.52 0.00 7.82 0.00 0.03 -5.10 121.76 125.07 1xww s ALA 156 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1xww s ALA 156 Cb 0.09 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1xww s ALA 156 CO 0.74 -0.62 0.00 -2.39 0.00 0.00 0.00 175.76 173.49