#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mww s ILE 2 N 0.00 4.51 -0.02 1.12 1.01 -0.60 -3.66 121.20 123.56 1mww s ILE 2 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1mww s ILE 2 Cb 0.00 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1mww s ILE 2 CO 0.00 0.55 -0.22 -0.89 0.00 0.00 0.00 174.94 174.38 1mww s THR 3 N -0.35 1.73 -0.19 2.92 2.01 -0.23 -0.13 115.64 121.40 1mww s THR 3 Ca 0.08 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 1mww s THR 3 Cb -0.12 -1.44 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 1mww s THR 3 CO 0.02 0.49 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.64 1mww s VAL 4 N -0.47 2.87 -0.11 3.82 1.01 0.57 -0.88 120.40 127.21 1mww s VAL 4 Ca 0.07 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1mww s VAL 4 Cb -0.09 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1mww s VAL 4 CO -0.01 0.48 -0.09 -0.36 0.00 0.00 0.00 175.10 175.13 1mww s PHE 5 N 1.19 2.89 0.01 5.22 0.40 0.22 -0.90 117.98 127.03 1mww s PHE 5 Ca 0.02 -0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 1mww s PHE 5 Cb -0.14 -1.80 0.10 0.00 0.51 0.00 0.00 43.02 41.68 1mww s PHE 5 CO -0.04 0.05 1.00 0.20 0.70 0.00 0.00 175.22 177.13 1mww s GLY 6 N -0.14 -0.37 0.17 4.36 0.00 -1.02 -1.44 107.32 108.88 1mww s GLY 6 Ca 0.01 0.80 -0.31 0.00 0.00 0.00 0.00 44.72 45.22 1mww s GLY 6 CO 0.03 0.24 1.39 -2.27 0.00 0.00 0.00 173.10 172.50 1mww s LEU 7 N -2.63 4.39 0.14 0.66 2.96 -1.26 -0.32 118.68 122.62 1mww s LEU 7 Ca 0.09 2.45 -0.27 0.00 -0.22 0.00 0.00 54.13 56.18 1mww s LEU 7 Cb -0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1mww s LEU 7 CO -0.04 -0.64 1.59 0.50 -1.32 0.00 0.00 176.35 176.43 1mww h LYS 8 N 6.00 -0.39 -0.93 1.98 3.64 -0.58 0.24 116.57 126.53 1mww h LYS 8 Ca -0.44 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.18 1mww h LYS 8 Cb 1.21 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1mww h LYS 8 CO 0.82 -0.26 0.61 0.66 -2.27 0.00 0.00 179.45 179.02 1mww h SER 9 N -0.40 0.43 0.27 4.20 4.64 -1.92 0.04 113.55 120.80 1mww h SER 9 Ca 0.11 0.05 -0.34 0.00 -0.47 0.00 0.00 61.79 61.14 1mww h SER 9 Cb 0.59 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1mww h SER 9 CO -0.44 0.16 -1.87 0.11 -0.87 0.00 0.00 176.83 173.91 1mww h LYS 10 N 0.42 0.18 0.19 4.77 1.79 -1.68 -3.41 116.57 118.82 1mww h LYS 10 Ca 0.49 -0.30 -0.27 0.00 -2.18 0.00 0.00 60.65 58.39 1mww h LYS 10 Cb 1.22 0.11 0.03 0.00 -1.58 0.00 0.00 32.23 32.00 1mww h LYS 10 CO -0.20 0.96 -1.24 1.25 -1.08 0.00 0.00 179.45 179.14 1mww h LEU 11 N 0.05 0.64 -0.41 2.94 5.85 -0.11 -3.35 115.31 120.92 1mww h LEU 11 Ca -0.37 -0.93 0.08 0.00 0.84 0.00 0.00 57.88 57.51 1mww h LEU 11 Cb 2.03 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 42.76 1mww h LEU 11 CO 0.09 1.59 -0.28 0.00 -0.34 0.00 0.00 178.44 179.50 1mww h ALA 12 N 0.10 -0.06 -0.11 1.25 0.00 -1.20 -1.04 119.26 118.20 1mww h ALA 12 Ca -0.23 0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mww h ALA 12 Cb 1.92 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 20.33 1mww h ALA 12 CO 0.20 -0.66 0.07 -1.35 0.00 0.00 0.00 179.25 177.52 1mww h PRO 13 N -0.20 0.03 -0.18 0.00 0.11 -1.80 -2.32 132.00 127.64 1mww h PRO 13 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1mww h PRO 13 Cb 0.50 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1mww h PRO 13 CO -0.53 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 177.82 1mww n ARG 14 N -4.51 2.10 -0.19 1.05 1.74 -0.46 -4.59 116.66 111.80 1mww n ARG 14 Ca -0.01 -1.63 -0.02 0.00 -0.77 0.00 0.00 57.85 55.42 1mww n ARG 14 Cb 0.17 -1.46 0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1mww n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mww h ARG 15 N 3.49 -0.03 -0.48 5.56 3.08 -0.80 -1.00 114.38 124.20 1mww h ARG 15 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1mww h ARG 15 Cb 0.76 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1mww h ARG 15 CO 0.00 -0.02 0.22 0.93 -1.07 0.00 0.00 179.97 180.03 1mww h GLU 16 N -0.04 0.69 -0.13 0.04 5.08 -1.83 -2.62 114.58 115.78 1mww h GLU 16 Ca 0.27 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 1mww h GLU 16 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1mww h GLU 16 CO -0.60 0.59 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.31 1mww h LYS 17 N 0.62 0.32 -0.05 2.33 1.63 -1.76 -2.77 116.57 116.89 1mww h LYS 17 Ca 0.16 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 59.70 1mww h LYS 17 Cb 0.14 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1mww h LYS 17 CO -0.02 0.72 -0.38 -0.07 -3.45 0.00 0.00 179.45 176.26 1mww h LEU 18 N 0.26 0.10 -0.35 5.20 3.38 -1.08 -1.47 115.31 121.35 1mww h LEU 18 Ca 0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1mww h LEU 18 Cb 0.93 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1mww h LEU 18 CO 0.08 0.48 -0.27 0.00 0.09 0.00 0.00 178.44 178.82 1mww h ALA 19 N 1.53 0.50 -0.32 1.53 0.00 -1.26 -0.44 119.26 120.81 1mww h ALA 19 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1mww h ALA 19 Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1mww h ALA 19 CO 0.05 0.51 0.15 1.49 0.00 0.00 0.00 179.25 181.45 1mww h GLU 20 N 0.58 0.31 -0.69 0.00 4.81 -1.22 0.35 114.58 118.71 1mww h GLU 20 Ca 0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1mww h GLU 20 Cb 0.84 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1mww h GLU 20 CO 0.07 0.20 0.40 0.28 -0.73 0.00 0.00 179.01 179.23 1mww h VAL 21 N 0.32 1.21 0.07 0.32 2.07 -1.11 2.05 116.25 121.18 1mww h VAL 21 Ca 0.14 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1mww h VAL 21 Cb 0.06 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1mww h VAL 21 CO -0.10 0.22 -0.03 0.40 0.02 0.00 0.00 177.57 178.08 1mww h ILE 22 N 0.95 1.15 -0.64 4.57 2.04 -0.80 0.59 117.51 125.37 1mww h ILE 22 Ca 0.25 -0.80 0.05 0.00 1.00 0.00 0.00 64.86 65.36 1mww h ILE 22 Cb 0.01 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1mww h ILE 22 CO -0.04 0.20 0.36 1.88 0.00 0.00 0.00 178.15 180.54 1mww h TYR 23 N -0.46 0.65 -0.82 1.37 0.99 -0.07 0.25 116.97 118.89 1mww h TYR 23 Ca -0.01 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.81 1mww h TYR 23 Cb 0.40 -0.20 -0.06 0.00 1.00 0.00 0.00 36.73 37.86 1mww h TYR 23 CO 0.05 0.32 0.50 -0.97 -0.00 0.00 0.00 178.16 178.06 1mww h ASN 24 N 0.67 0.78 1.60 3.88 -1.24 0.36 0.12 115.58 121.75 1mww h ASN 24 Ca 0.28 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.27 1mww h ASN 24 Cb 0.15 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1mww h ASN 24 CO -0.17 0.50 -0.41 0.28 -1.29 0.00 0.00 177.43 176.34 1mww h SER 25 N 0.91 0.00 -0.15 1.15 0.02 -0.28 0.20 113.55 115.40 1mww h SER 25 Ca 0.36 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.19 1mww h SER 25 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1mww h SER 25 CO -0.18 0.19 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.24 1mww h LEU 26 N 0.00 0.61 0.62 5.07 3.38 0.07 0.77 115.31 125.82 1mww h LEU 26 Ca -0.01 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1mww h LEU 26 Cb 1.15 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.73 1mww h LEU 26 CO 0.02 1.08 -0.30 -0.74 0.09 0.00 0.00 178.44 178.59 1mww h HIS 27 N 0.16 -0.77 -0.96 1.13 2.76 0.01 0.19 115.15 117.68 1mww h HIS 27 Ca -0.01 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1mww h HIS 27 Cb 1.00 0.25 -0.07 0.00 1.55 0.00 0.00 27.41 30.15 1mww h HIS 27 CO 0.10 -0.48 0.62 1.25 -1.30 0.00 0.00 177.93 178.12 1mww h LEU 28 N -1.05 0.94 0.00 0.26 6.46 -0.71 0.74 115.31 121.95 1mww h LEU 28 Ca -0.08 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.61 1mww h LEU 28 Cb 0.63 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1mww h LEU 28 CO 0.14 0.58 -1.92 0.61 -0.62 0.00 0.00 178.44 177.23 1mww n GLY 29 N -1.38 -1.07 0.00 3.75 0.00 0.26 -4.64 105.19 102.12 1mww n GLY 29 Ca 0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mww n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mww n LEU 30 N -2.45 0.00 0.00 0.99 7.94 0.54 -4.85 117.00 119.17 1mww n LEU 30 Ca -0.10 -0.27 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 1mww n LEU 30 Cb 0.70 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.65 1mww n LEU 30 CO 0.45 0.00 0.00 0.47 -1.11 0.00 0.00 177.39 177.20 1mww n ASP 31 N -0.85 -1.22 -4.57 1.96 10.43 0.25 -4.98 116.55 117.56 1mww n ASP 31 Ca 0.00 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 56.98 1mww n ASP 31 Cb 0.00 -0.37 -0.11 0.00 1.84 0.00 0.00 41.12 42.48 1mww n ASP 31 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1mww s ILE 32 N -2.00 5.13 0.29 0.53 -1.09 -0.90 -4.91 121.20 118.24 1mww s ILE 32 Ca 0.00 0.11 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 1mww s ILE 32 Cb 0.00 -3.43 -0.13 0.00 -1.58 0.00 0.00 42.46 37.32 1mww s ILE 32 CO 0.00 0.28 1.22 -2.65 -1.23 0.00 0.00 174.94 172.56 1mww n PRO 33 N 4.95 1.78 -1.52 2.79 -0.02 -1.26 -1.82 135.00 139.90 1mww n PRO 33 Ca -0.14 0.63 -0.24 0.00 -2.02 0.00 0.00 63.50 61.72 1mww n PRO 33 Cb 0.52 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 1mww n PRO 33 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mww n LYS 34 N 1.06 0.28 0.00 -0.52 4.01 -1.26 -1.67 118.16 120.06 1mww n LYS 34 Ca 0.09 -0.25 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1mww n LYS 34 Cb 0.33 -2.14 0.00 0.00 -0.51 0.00 0.00 35.03 32.71 1mww n LYS 34 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mww n GLY 35 N 6.10 1.23 0.06 0.72 0.00 -1.26 -4.99 105.19 107.06 1mww n GLY 35 Ca 0.58 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.73 1mww n GLY 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mww n LYS 36 N -0.15 0.17 -4.61 1.61 4.81 -0.67 -4.83 118.16 114.49 1mww n LYS 36 Ca 0.00 0.12 -0.34 0.00 -0.87 0.00 0.00 58.31 57.22 1mww n LYS 36 Cb 0.00 -1.68 -0.12 0.00 0.02 0.00 0.00 35.03 33.25 1mww n LYS 36 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1mww s HIS 37 N -3.07 2.93 0.20 5.64 3.76 -1.26 -5.09 115.29 118.40 1mww s HIS 37 Ca 0.11 -0.10 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 1mww s HIS 37 Cb 0.15 -1.76 -0.08 0.00 1.11 0.00 0.00 32.58 32.00 1mww s HIS 37 CO 0.59 0.22 1.08 0.00 -0.85 0.00 0.00 174.74 175.78 1mww s ALA 38 N -0.50 3.37 -0.05 -1.40 0.00 -1.26 -5.00 121.76 116.91 1mww s ALA 38 Ca 0.07 0.81 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1mww s ALA 38 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.68 1mww s ALA 38 CO 0.02 -0.16 -0.09 0.42 0.00 0.00 0.00 175.76 175.95 1mww s ILE 39 N -0.50 0.89 0.11 0.00 -1.09 -1.26 -1.56 121.20 117.79 1mww s ILE 39 Ca 0.48 -0.34 0.11 0.00 -2.23 0.00 0.00 60.65 58.66 1mww s ILE 39 Cb -0.29 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1mww s ILE 39 CO 0.36 0.30 -0.27 -0.60 -1.23 0.00 0.00 174.94 173.50 1mww s ARG 40 N 0.72 1.50 -0.09 2.79 3.52 0.82 -4.97 118.95 123.23 1mww s ARG 40 Ca -0.13 -1.29 0.04 0.00 -0.13 0.00 0.00 55.73 54.22 1mww s ARG 40 Cb -0.15 -1.92 0.00 0.00 -1.56 0.00 0.00 34.95 31.32 1mww s ARG 40 CO 0.02 0.46 -0.23 -0.06 -0.81 0.00 0.00 175.30 174.69 1mww s PHE 41 N -1.00 2.41 -0.27 5.12 0.08 -1.26 -0.31 117.98 122.74 1mww s PHE 41 Ca 0.14 -0.96 0.02 0.00 0.12 0.00 0.00 56.93 56.25 1mww s PHE 41 Cb -0.10 -1.62 0.06 0.00 -0.57 0.00 0.00 43.02 40.79 1mww s PHE 41 CO 0.05 -0.38 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.53 1mww s LEU 42 N 0.34 3.53 -0.32 -0.37 1.98 -0.07 -4.95 118.68 118.81 1mww s LEU 42 Ca -0.17 -1.37 -0.21 0.00 -2.89 0.00 0.00 54.13 49.48 1mww s LEU 42 Cb -0.17 -1.58 -0.00 0.00 0.66 0.00 0.00 46.19 45.09 1mww s LEU 42 CO 0.08 -0.20 0.69 0.00 -1.89 0.00 0.00 176.35 175.03 1mww s LEU 44 N 2.78 4.28 0.40 0.00 1.43 0.56 -4.64 118.68 123.49 1mww s LEU 44 Ca 0.28 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.15 1mww s LEU 44 Cb -0.14 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 1mww s LEU 44 CO 0.13 0.05 0.82 -1.61 0.23 0.00 0.00 176.35 175.97 1mww s GLU 45 N -2.31 3.91 0.37 1.70 0.41 -1.26 0.13 118.70 121.66 1mww s GLU 45 Ca 0.40 0.68 0.10 0.00 -0.41 0.00 0.00 54.97 55.74 1mww s GLU 45 Cb -0.13 -2.33 0.87 0.00 -1.78 0.00 0.00 34.13 30.75 1mww s GLU 45 CO 0.20 -0.03 1.88 0.87 -0.49 0.00 0.00 175.26 177.70 1mww h LYS 46 N 1.53 0.61 0.00 1.61 1.57 -1.98 -1.35 116.57 118.56 1mww h LYS 46 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1mww h LYS 46 Cb 1.18 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1mww h LYS 46 CO 0.64 0.40 0.00 0.39 -0.57 0.00 0.00 179.45 180.31 1mww n GLU 47 N -4.54 0.15 0.00 3.15 4.71 -1.26 -2.62 120.64 120.24 1mww n GLU 47 Ca 0.16 0.40 0.10 0.00 -0.01 0.00 0.00 57.16 57.81 1mww n GLU 47 Cb 0.47 -1.80 0.01 0.00 -1.01 0.00 0.00 31.44 29.12 1mww n GLU 47 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1mww n ASP 48 N -2.08 2.04 -4.01 1.62 8.00 -0.51 -4.87 116.55 116.73 1mww n ASP 48 Ca 0.02 -1.52 -0.33 0.00 0.71 0.00 0.00 54.79 53.67 1mww n ASP 48 Cb 0.20 0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.58 1mww n ASP 48 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1mww s PHE 49 N -2.19 3.30 -1.28 1.24 5.36 -1.08 -4.97 117.98 118.37 1mww s PHE 49 Ca 0.18 -2.97 -0.10 0.00 -0.96 0.00 0.00 56.93 53.07 1mww s PHE 49 Cb 0.17 -2.99 0.16 0.00 -0.34 0.00 0.00 43.02 40.02 1mww s PHE 49 CO 0.47 -0.79 1.81 0.66 -1.46 0.00 0.00 175.22 175.91 1mww n TYR 50 N 3.32 3.32 -0.78 10.12 0.53 -1.26 -4.99 117.16 127.41 1mww n TYR 50 Ca 0.06 -2.89 -0.30 0.00 -1.02 0.00 0.00 57.90 53.75 1mww n TYR 50 Cb 0.35 -2.02 0.19 0.00 -1.03 0.00 0.00 39.34 36.83 1mww n TYR 50 CO 0.00 0.00 0.00 1.52 -1.02 0.00 0.00 176.86 177.36 1mww s TYR 51 N 0.72 1.72 0.19 -0.72 1.13 -1.26 -4.88 117.35 114.25 1mww s TYR 51 Ca 0.41 1.43 -0.33 0.00 -1.41 0.00 0.00 57.07 57.16 1mww s TYR 51 Cb 0.08 -3.20 -0.14 0.00 -1.10 0.00 0.00 41.96 37.60 1mww s TYR 51 CO 0.00 -3.08 1.52 -2.30 -2.51 0.00 0.00 175.55 169.18 1mww n PRO 52 N -4.39 2.11 -0.22 -3.49 -0.02 -1.26 -4.83 135.00 122.90 1mww n PRO 52 Ca 0.07 0.76 0.16 0.00 -2.02 0.00 0.00 63.50 62.47 1mww n PRO 52 Cb 0.54 -2.49 0.29 0.00 -0.02 0.00 0.00 33.50 31.82 1mww n PRO 52 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mww n PHE 53 N 2.87 0.60 -1.17 6.00 3.72 -1.26 -0.68 117.46 127.55 1mww n PHE 53 Ca 0.15 0.80 -0.17 0.00 -0.05 0.00 0.00 57.45 58.17 1mww n PHE 53 Cb 0.30 -1.11 0.23 0.00 -0.94 0.00 0.00 39.48 37.95 1mww n PHE 53 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1mww n ASP 54 N -4.70 4.14 -4.59 4.37 3.85 -1.26 -4.94 116.55 113.42 1mww n ASP 54 Ca 0.21 -3.48 -0.28 0.00 -0.71 0.00 0.00 54.79 50.53 1mww n ASP 54 Cb 0.69 -0.81 -0.04 0.00 -1.35 0.00 0.00 41.12 39.61 1mww n ASP 54 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1mww n ARG 55 N -0.79 0.79 -4.21 0.11 5.12 0.14 -5.12 116.66 112.69 1mww n ARG 55 Ca 0.53 -3.40 -0.26 0.00 -1.93 0.00 0.00 57.85 52.79 1mww n ARG 55 Cb 1.58 0.69 -0.07 0.00 -1.16 0.00 0.00 32.46 33.50 1mww n ARG 55 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1mww s SER 56 N -3.81 4.36 0.05 0.55 1.04 -1.26 -4.96 113.70 109.67 1mww s SER 56 Ca 0.12 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.39 1mww s SER 56 Cb -0.01 -0.27 0.12 0.00 0.10 0.00 0.00 66.02 65.95 1mww s SER 56 CO 0.08 -0.63 0.89 0.47 0.98 0.00 0.00 173.24 175.03 1mww n ASP 57 N -1.27 0.06 -0.38 7.02 10.43 -1.26 -0.67 116.55 130.48 1mww n ASP 57 Ca -0.03 0.35 0.09 0.00 2.57 0.00 0.00 54.79 57.77 1mww n ASP 57 Cb 0.65 -0.35 0.38 0.00 1.84 0.00 0.00 41.12 43.64 1mww n ASP 57 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1mww n ASP 58 N -1.43 1.15 -4.71 -2.24 10.43 -1.26 -4.58 116.55 113.90 1mww n ASP 58 Ca -0.00 -1.68 -0.43 0.00 2.57 0.00 0.00 54.79 55.26 1mww n ASP 58 Cb 0.21 -0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 1mww n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1mww n TYR 59 N -0.00 2.68 -3.78 1.24 4.19 0.16 -4.83 117.16 116.82 1mww n TYR 59 Ca 0.14 0.09 -0.18 0.00 3.31 0.00 0.00 57.90 61.26 1mww n TYR 59 Cb 0.24 -2.65 -0.17 0.00 0.49 0.00 0.00 39.34 37.25 1mww n TYR 59 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 1mww s THR 60 N 1.05 0.03 -0.12 2.97 2.01 -0.49 -4.33 115.64 116.76 1mww s THR 60 Ca 0.75 0.24 -0.04 0.00 0.31 0.00 0.00 61.69 62.96 1mww s THR 60 Cb -0.53 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 1mww s THR 60 CO 0.34 0.15 0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 1mww s VAL 61 N 1.51 4.51 -0.11 3.82 1.01 -0.52 -1.88 120.40 128.73 1mww s VAL 61 Ca -0.03 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1mww s VAL 61 Cb -0.13 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1mww s VAL 61 CO -0.03 0.57 -0.16 -0.63 0.00 0.00 0.00 175.10 174.85 1mww s ILE 62 N -0.52 1.58 -0.18 2.22 -1.09 0.52 -0.61 121.20 123.12 1mww s ILE 62 Ca 0.10 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.80 1mww s ILE 62 Cb -0.12 -1.44 -0.01 0.00 -1.58 0.00 0.00 42.46 39.31 1mww s ILE 62 CO 0.02 0.46 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.42 1mww s GLU 63 N 0.98 3.42 -0.17 2.79 2.12 -0.06 -1.03 118.70 126.75 1mww s GLU 63 Ca -0.06 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1mww s GLU 63 Cb -0.15 -2.88 0.02 0.00 0.26 0.00 0.00 34.13 31.38 1mww s GLU 63 CO -0.02 -0.01 -0.19 0.42 -0.54 0.00 0.00 175.26 174.92 1mww s ILE 64 N 0.97 1.98 -0.17 -3.70 1.01 -0.29 -1.07 121.20 119.92 1mww s ILE 64 Ca -0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1mww s ILE 64 Cb -0.15 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 1mww s ILE 64 CO 0.00 0.53 0.04 0.20 0.00 0.00 0.00 174.94 175.71 1mww s ASN 65 N 1.23 5.49 0.18 3.58 0.01 -1.24 -0.51 114.94 123.68 1mww s ASN 65 Ca 0.03 0.05 0.04 0.00 -0.71 0.00 0.00 52.86 52.27 1mww s ASN 65 Cb -0.13 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 1mww s ASN 65 CO -0.11 0.18 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.86 1mww s LEU 66 N 0.32 2.33 0.13 0.60 1.02 -0.55 -4.46 118.68 118.07 1mww s LEU 66 Ca 0.02 -1.12 -0.30 0.00 0.02 0.00 0.00 54.13 52.76 1mww s LEU 66 Cb -0.13 -0.27 -0.06 0.00 0.02 0.00 0.00 46.19 45.75 1mww s LEU 66 CO 0.01 -0.44 0.94 -0.04 0.02 0.00 0.00 176.35 176.84 1mww s MET 67 N -3.82 4.72 0.73 1.70 -1.94 -1.26 -1.44 119.30 117.98 1mww s MET 67 Ca 0.22 1.43 -0.14 0.00 -1.71 0.00 0.00 55.69 55.50 1mww s MET 67 Cb 0.04 -3.35 0.04 0.00 2.01 0.00 0.00 34.83 33.57 1mww s MET 67 CO 0.04 0.29 1.13 0.00 -0.01 0.00 0.00 175.02 176.47 1mww s ALA 68 N -0.27 2.23 0.00 3.03 0.00 0.01 -4.51 121.76 122.24 1mww s ALA 68 Ca 0.45 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1mww s ALA 68 Cb -0.24 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1mww s ALA 68 CO 0.30 -1.69 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1mww n GLY 69 N -0.35 1.79 3.74 0.00 0.00 -1.26 -4.67 105.19 104.43 1mww n GLY 69 Ca 0.11 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1mww n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mww s ARG 70 N 0.00 2.12 0.62 1.61 0.52 -1.26 -5.00 118.95 117.56 1mww s ARG 70 Ca 0.00 1.38 -0.09 0.00 -0.52 0.00 0.00 55.73 56.50 1mww s ARG 70 Cb 0.00 -1.87 -0.02 0.00 0.52 0.00 0.00 34.95 33.59 1mww s ARG 70 CO 0.00 -1.77 0.99 -1.64 0.02 0.00 0.00 175.30 172.89 1mww s MET 71 N -4.52 3.28 0.22 3.54 -1.94 -1.26 -4.94 119.30 113.69 1mww s MET 71 Ca 0.65 0.46 -0.07 0.00 -1.71 0.00 0.00 55.69 55.03 1mww s MET 71 Cb -0.21 -2.14 0.31 0.00 2.01 0.00 0.00 34.83 34.80 1mww s MET 71 CO 0.51 -0.65 1.80 1.49 -0.01 0.00 0.00 175.02 178.16 1mww h GLU 72 N -0.30 0.66 -0.41 2.03 4.81 -2.01 -2.19 114.58 117.18 1mww h GLU 72 Ca -0.45 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1mww h GLU 72 Cb 1.22 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1mww h GLU 72 CO 0.62 0.44 0.24 0.78 -0.73 0.00 0.00 179.01 180.36 1mww h GLY 73 N 0.68 0.59 0.85 1.92 0.00 -2.00 -2.03 103.07 103.09 1mww h GLY 73 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1mww h GLY 73 CO -0.23 0.23 0.03 -0.84 0.00 0.00 0.00 176.54 175.73 1mww h THR 74 N 0.56 1.23 -0.51 4.70 2.02 -1.77 -2.12 112.91 117.03 1mww h THR 74 Ca 0.15 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1mww h THR 74 Cb -0.01 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1mww h THR 74 CO -0.03 0.25 0.25 0.11 0.37 0.00 0.00 175.52 176.48 1mww h LYS 75 N 0.20 0.74 -0.99 6.66 1.57 -1.39 -2.31 116.57 121.05 1mww h LYS 75 Ca 0.07 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1mww h LYS 75 Cb 0.35 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1mww h LYS 75 CO 0.01 0.61 0.64 0.87 -0.57 0.00 0.00 179.45 181.01 1mww h LYS 76 N 0.69 1.17 -0.28 3.15 1.57 -1.32 -1.79 116.57 119.75 1mww h LYS 76 Ca 0.18 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1mww h LYS 76 Cb 0.11 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1mww h LYS 76 CO -0.02 0.77 0.16 -0.09 -0.57 0.00 0.00 179.45 179.70 1mww h ARG 77 N 1.20 0.32 -0.12 3.15 2.43 -1.00 0.17 114.38 120.54 1mww h ARG 77 Ca 0.41 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.60 1mww h ARG 77 Cb 0.10 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 1mww h ARG 77 CO -0.15 0.21 -0.11 1.25 -1.51 0.00 0.00 179.97 179.66 1mww h LEU 78 N 0.33 -0.34 -0.24 3.80 6.46 -0.91 0.33 115.31 124.74 1mww h LEU 78 Ca 0.11 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1mww h LEU 78 Cb -0.00 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1mww h LEU 78 CO -0.05 -0.14 0.06 0.40 -0.62 0.00 0.00 178.44 178.08 1mww h ILE 79 N -0.13 0.90 -0.44 4.05 2.04 -0.84 0.34 117.51 123.44 1mww h ILE 79 Ca 0.08 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1mww h ILE 79 Cb 0.25 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1mww h ILE 79 CO -0.20 0.03 0.12 0.11 0.00 0.00 0.00 178.15 178.21 1mww h LYS 80 N 0.16 0.26 -0.44 2.37 6.56 -0.15 -1.39 116.57 123.94 1mww h LYS 80 Ca 0.11 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.62 1mww h LYS 80 Cb 0.10 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 1mww h LYS 80 CO -0.13 0.17 0.03 0.52 -2.06 0.00 0.00 179.45 177.97 1mww h MET 81 N 0.27 0.75 -0.91 3.15 2.86 0.04 -2.01 114.93 119.08 1mww h MET 81 Ca 0.21 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1mww h MET 81 Cb 0.24 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 1mww h MET 81 CO -0.25 0.81 0.59 -0.07 1.06 0.00 0.00 176.91 179.04 1mww h LEU 82 N 0.60 0.86 0.23 1.22 3.38 -0.48 0.16 115.31 121.28 1mww h LEU 82 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1mww h LEU 82 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1mww h LEU 82 CO 0.02 0.52 -0.11 -0.26 0.09 0.00 0.00 178.44 178.70 1mww h PHE 83 N 0.96 -0.29 0.23 1.13 0.05 -0.72 -0.82 116.94 117.48 1mww h PHE 83 Ca 0.41 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 62.19 1mww h PHE 83 Cb 0.32 0.09 -0.01 0.00 2.00 0.00 0.00 35.95 38.35 1mww h PHE 83 CO -0.00 -0.14 -0.19 0.77 -0.18 0.00 0.00 178.31 178.57 1mww h SER 84 N -0.36 -0.48 -0.76 2.17 0.02 -0.81 -1.70 113.55 111.62 1mww h SER 84 Ca -0.03 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1mww h SER 84 Cb 0.28 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.92 1mww h SER 84 CO 0.05 -0.29 0.45 -0.08 -1.14 0.00 0.00 176.83 175.83 1mww h GLU 85 N -0.43 0.81 0.00 3.45 4.57 -0.67 -0.59 114.58 121.72 1mww h GLU 85 Ca -0.01 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 1mww h GLU 85 Cb 0.38 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1mww h GLU 85 CO -0.02 0.54 -0.44 -0.07 -1.18 0.00 0.00 179.01 177.84 1mww h LEU 86 N 0.84 0.00 0.30 1.64 4.07 -1.05 -0.73 115.31 120.37 1mww h LEU 86 Ca 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.28 1mww h LEU 86 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.91 1mww h LEU 86 CO -0.17 0.44 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.16 1mww h GLU 87 N 0.00 -0.38 -0.31 1.13 4.39 -0.43 -0.75 114.58 118.23 1mww h GLU 87 Ca -0.00 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1mww h GLU 87 Cb 0.93 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1mww h GLU 87 CO 0.06 -0.26 0.16 1.88 -1.16 0.00 0.00 179.01 179.69 1mww h TYR 88 N -0.51 0.44 0.05 4.33 0.05 -1.19 0.28 116.97 120.43 1mww h TYR 88 Ca -0.04 -0.02 -0.28 0.00 0.05 0.00 0.00 58.73 58.45 1mww h TYR 88 Cb 0.30 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1mww h TYR 88 CO 0.10 0.38 -1.43 -0.22 -1.05 0.00 0.00 178.16 175.94 1mww h LYS 89 N 0.37 0.12 0.00 4.88 3.64 -1.30 -3.39 116.57 120.88 1mww h LYS 89 Ca 0.11 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1mww h LYS 89 Cb 0.10 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1mww h LYS 89 CO -0.01 0.93 -0.64 1.28 -2.27 0.00 0.00 179.45 178.74 1mww n LEU 90 N -3.32 0.46 -1.10 5.20 4.32 -1.02 -4.99 117.00 116.55 1mww n LEU 90 Ca -0.12 -0.44 -0.09 0.00 -0.02 0.00 0.00 56.01 55.34 1mww n LEU 90 Cb 1.02 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.82 1mww n LEU 90 CO 0.48 0.12 -0.07 0.61 -1.22 0.00 0.00 177.39 177.31 1mww n GLY 91 N 1.33 0.09 3.50 -0.72 0.00 0.09 -4.99 105.19 104.48 1mww n GLY 91 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1mww n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mww s ILE 92 N -2.55 5.25 0.15 -0.61 1.01 -0.35 -4.98 121.20 119.12 1mww s ILE 92 Ca 0.04 -0.40 -0.33 0.00 0.00 0.00 0.00 60.65 59.96 1mww s ILE 92 Cb -0.02 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.48 1mww s ILE 92 CO 0.06 -0.17 1.64 0.54 0.00 0.00 0.00 174.94 177.01 1mww n ARG 93 N 5.18 2.32 -0.38 2.79 1.74 -1.26 -3.52 116.66 123.52 1mww n ARG 93 Ca -0.11 0.84 0.33 0.00 -0.77 0.00 0.00 57.85 58.13 1mww n ARG 93 Cb 0.48 -2.63 0.65 0.00 -1.02 0.00 0.00 32.46 29.94 1mww n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mww h ALA 94 N 6.49 2.80 0.00 7.54 0.00 -1.94 1.31 119.26 135.46 1mww h ALA 94 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1mww h ALA 94 Cb 1.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1mww h ALA 94 CO 0.91 -1.24 0.00 0.45 0.00 0.00 0.00 179.25 179.37 1mww h HIS 95 N 0.15 0.00 -0.57 0.00 -0.00 -2.00 -0.62 115.15 112.12 1mww h HIS 95 Ca 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.03 1mww h HIS 95 Cb 2.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.62 1mww h HIS 95 CO -0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.93 177.68 1mww n ASP 96 N -2.90 3.69 -4.20 2.45 10.43 0.45 -4.92 116.55 121.55 1mww n ASP 96 Ca -0.02 -2.21 -0.26 0.00 2.57 0.00 0.00 54.79 54.88 1mww n ASP 96 Cb 0.13 -0.47 -0.15 0.00 1.84 0.00 0.00 41.12 42.46 1mww n ASP 96 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1mww s VAL 97 N -1.53 1.51 -0.04 2.53 0.11 -0.24 -1.39 120.40 121.34 1mww s VAL 97 Ca 0.42 -0.86 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1mww s VAL 97 Cb 0.25 -1.26 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1mww s VAL 97 CO 0.24 0.39 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.53 1mww s GLU 98 N -0.55 1.60 0.00 1.54 2.12 -0.79 -5.00 118.70 117.62 1mww s GLU 98 Ca 0.07 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1mww s GLU 98 Cb -0.07 -1.42 -0.00 0.00 0.26 0.00 0.00 34.13 32.89 1mww s GLU 98 CO -0.00 0.24 -0.02 0.42 -0.54 0.00 0.00 175.26 175.36 1mww s ILE 99 N 0.00 0.10 -0.01 -3.70 1.01 -1.26 -0.36 121.20 116.98 1mww s ILE 99 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1mww s ILE 99 Cb -0.10 -0.12 0.02 0.00 0.01 0.00 0.00 42.46 42.27 1mww s ILE 99 CO 0.02 -0.06 0.02 -0.89 0.00 0.00 0.00 174.94 174.02 1mww s THR 100 N -0.27 -0.03 -0.24 2.92 2.01 -0.20 -4.96 115.64 114.87 1mww s THR 100 Ca -0.02 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.04 1mww s THR 100 Cb -0.02 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.37 1mww s THR 100 CO -0.00 0.07 0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 1mww s ILE 101 N 0.77 4.93 -0.15 1.82 1.09 -1.26 -1.14 121.20 127.26 1mww s ILE 101 Ca -0.06 0.03 -0.04 0.00 -1.10 0.00 0.00 60.65 59.48 1mww s ILE 101 Cb -0.09 -3.30 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1mww s ILE 101 CO -0.02 0.34 -0.02 -0.54 -0.10 0.00 0.00 174.94 174.61 1mww s LYS 102 N 1.24 3.63 0.09 2.79 1.02 0.33 -4.98 119.74 123.86 1mww s LYS 102 Ca 0.06 -0.48 0.10 0.00 0.02 0.00 0.00 55.97 55.67 1mww s LYS 102 Cb -0.14 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1mww s LYS 102 CO 0.05 0.31 -0.26 -1.21 -0.92 0.00 0.00 175.35 173.31 1mww s GLU 103 N 0.20 1.62 0.03 1.68 2.02 -1.26 -1.48 118.70 121.51 1mww s GLU 103 Ca -0.01 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.78 1mww s GLU 103 Cb -0.13 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 1mww s GLU 103 CO 0.02 0.48 -0.08 -0.65 0.02 0.00 0.00 175.26 175.06 1mww s GLN 104 N -1.65 0.54 0.40 1.61 1.11 -0.52 -4.86 119.66 116.28 1mww s GLN 104 Ca 0.13 -0.59 -0.24 0.00 0.01 0.00 0.00 55.36 54.66 1mww s GLN 104 Cb -0.10 -0.40 -0.12 0.00 -1.01 0.00 0.00 33.01 31.38 1mww s GLN 104 CO 0.04 0.09 0.83 -2.30 0.01 0.00 0.00 175.29 173.97 1mww n PRO 105 N 1.94 1.02 -0.34 2.91 -0.02 -1.26 -0.81 135.00 138.44 1mww n PRO 105 Ca -0.19 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1mww n PRO 105 Cb 0.56 -1.80 0.39 0.00 -0.02 0.00 0.00 33.50 32.63 1mww n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mww h ALA 106 N 1.31 1.78 0.00 3.55 0.00 -1.92 -0.09 119.26 123.89 1mww h ALA 106 Ca -0.42 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1mww h ALA 106 Cb 1.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1mww h ALA 106 CO 0.55 -0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.11 1mww n HIS 107 N -4.91 0.00 1.10 0.00 1.44 -1.26 -1.58 115.22 110.01 1mww n HIS 107 Ca 0.27 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.10 1mww n HIS 107 Cb 0.76 -0.34 0.15 0.00 0.12 0.00 0.00 29.99 30.69 1mww n HIS 107 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mww s TRP 109 N -2.48 3.33 -0.04 0.00 0.52 -0.88 -4.99 118.94 114.40 1mww s TRP 109 Ca 0.21 0.09 -0.00 0.00 0.02 0.00 0.00 56.10 56.42 1mww s TRP 109 Cb 0.19 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 30.91 1mww s TRP 109 CO 0.55 0.53 0.00 0.20 0.02 0.00 0.00 176.95 178.25 1mww s GLY 110 N -2.95 0.31 -0.10 0.98 0.00 -1.26 -0.64 107.32 103.67 1mww s GLY 110 Ca 0.33 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 44.85 1mww s GLY 110 CO 0.26 0.79 0.64 -0.11 0.00 0.00 0.00 173.10 174.67 1mww s PHE 111 N 1.34 -0.63 -1.55 1.90 -0.71 -0.74 -4.94 117.98 112.65 1mww s PHE 111 Ca -0.05 1.20 -0.06 0.00 -1.04 0.00 0.00 56.93 56.98 1mww s PHE 111 Cb -0.13 0.33 0.05 0.00 -1.21 0.00 0.00 43.02 42.07 1mww s PHE 111 CO -0.02 -0.52 0.38 0.54 -1.34 0.00 0.00 175.22 174.26 1mww n ARG 112 N 1.41 -2.33 -0.54 1.99 1.74 -1.26 -1.01 116.66 116.66 1mww n ARG 112 Ca -0.18 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1mww n ARG 112 Cb 0.56 -4.38 0.00 0.00 -1.02 0.00 0.00 32.46 27.63 1mww n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mww n GLY 113 N -1.96 0.78 3.75 -0.13 0.00 -1.26 -4.99 105.19 101.37 1mww n GLY 113 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1mww n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mww s MET 114 N -0.36 2.21 0.18 1.61 -1.94 -0.18 -5.11 119.30 115.71 1mww s MET 114 Ca 0.00 -1.94 -0.07 0.00 -1.71 0.00 0.00 55.69 51.97 1mww s MET 114 Cb 0.00 -1.92 -0.06 0.00 2.01 0.00 0.00 34.83 34.85 1mww s MET 114 CO 0.00 -0.19 0.45 0.95 -0.01 0.00 0.00 175.02 176.22 1mww s THR 115 N -2.66 5.07 0.41 2.05 -4.23 -1.26 -1.80 115.64 113.23 1mww s THR 115 Ca 0.36 0.21 0.17 0.00 -1.18 0.00 0.00 61.69 61.26 1mww s THR 115 Cb 0.03 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.63 1mww s THR 115 CO 0.20 -0.02 1.86 1.23 -0.54 0.00 0.00 174.62 177.35 1mww h GLY 116 N 2.68 0.89 2.00 3.99 0.00 0.15 -0.63 103.07 112.15 1mww h GLY 116 Ca -0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1mww h GLY 116 CO 0.71 0.00 -0.20 1.29 0.00 0.00 0.00 176.54 178.34 1mww h ASP 117 N 0.43 0.00 1.35 0.19 -0.00 -1.78 -2.85 116.42 113.75 1mww h ASP 117 Ca 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.42 1mww h ASP 117 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.45 1mww h ASP 117 CO -0.18 0.20 -0.68 -0.33 -0.00 0.00 0.00 179.24 178.25 1mww h GLU 118 N 0.00 0.00 -6.40 4.15 5.08 -1.46 -3.47 114.58 112.49 1mww h GLU 118 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 1mww h GLU 118 Cb 0.64 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.91 1mww h GLU 118 CO 0.03 0.27 1.20 0.00 -1.00 0.00 0.00 179.01 179.50 1mww n ALA 119 N -2.23 1.76 -0.18 3.43 0.00 -1.03 -4.98 120.51 117.27 1mww n ALA 119 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1mww n ALA 119 Cb 0.68 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1mww n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04