#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nww s GLU 6 N 0.00 3.27 -0.04 0.38 2.02 -1.26 -5.09 118.70 117.99 1nww s GLU 6 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1nww s GLU 6 Cb 0.00 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1nww s GLU 6 CO 0.00 0.52 1.26 -0.65 0.02 0.00 0.00 175.26 176.41 1nww s GLN 7 N -3.10 4.33 0.57 1.61 -1.52 -1.26 -5.03 119.66 115.26 1nww s GLN 7 Ca 0.33 1.76 -0.20 0.00 -1.95 0.00 0.00 55.36 55.31 1nww s GLN 7 Cb -0.11 -3.56 -0.04 0.00 -0.22 0.00 0.00 33.01 29.08 1nww s GLN 7 CO 0.27 -0.48 1.23 -2.14 -0.25 0.00 0.00 175.29 173.91 1nww s PRO 8 N 2.24 3.10 0.30 2.91 0.02 -1.26 -4.92 135.00 137.40 1nww s PRO 8 Ca 0.58 1.89 0.06 0.00 0.02 0.00 0.00 61.00 63.56 1nww s PRO 8 Cb -0.27 -2.05 0.77 0.00 0.02 0.00 0.00 34.50 32.98 1nww s PRO 8 CO 0.23 -1.12 1.75 0.00 -0.33 0.00 0.00 177.00 177.53 1nww h ARG 9 N 1.14 0.61 -0.00 5.54 3.08 -2.04 -1.88 114.38 120.84 1nww h ARG 9 Ca -0.50 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1nww h ARG 9 Cb 1.29 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1nww h ARG 9 CO 0.56 0.41 -0.04 -2.67 -1.07 0.00 0.00 179.97 177.16 1nww n TRP 10 N -4.86 0.00 -2.63 3.04 4.27 -1.26 -4.91 117.44 111.09 1nww n TRP 10 Ca 0.24 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.45 1nww n TRP 10 Cb 0.64 -0.48 -0.05 0.00 -1.36 0.00 0.00 31.31 30.06 1nww n TRP 10 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nww s ALA 11 N -2.99 3.35 0.30 -1.67 0.00 -0.71 -4.99 121.76 115.05 1nww s ALA 11 Ca 0.14 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 1nww s ALA 11 Cb 0.19 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 1nww s ALA 11 CO 0.54 0.01 1.38 0.45 0.00 0.00 0.00 175.76 178.13 1nww s SER 12 N -0.74 6.69 0.00 0.00 0.15 -1.26 -4.91 113.70 113.63 1nww s SER 12 Ca 0.44 2.70 0.24 0.00 0.70 0.00 0.00 55.95 60.04 1nww s SER 12 Cb -0.28 -2.64 0.54 0.00 -1.71 0.00 0.00 66.02 61.93 1nww s SER 12 CO 0.35 -0.63 1.45 0.29 1.20 0.00 0.00 173.24 175.90 1nww n LYS 13 N 1.45 2.11 -1.65 5.44 5.02 -1.26 -4.87 118.16 124.39 1nww n LYS 13 Ca 0.03 -1.64 -0.41 0.00 -2.02 0.00 0.00 58.31 54.27 1nww n LYS 13 Cb 0.41 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1nww n LYS 13 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1nww n ASP 14 N 0.93 1.85 0.28 4.39 -0.08 -1.26 -4.88 116.55 117.78 1nww n ASP 14 Ca 0.17 1.07 0.13 0.00 -1.51 0.00 0.00 54.79 54.64 1nww n ASP 14 Cb 0.50 -1.42 0.80 0.00 2.34 0.00 0.00 41.12 43.34 1nww n ASP 14 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1nww h SER 15 N 1.77 0.00 0.15 1.67 4.64 -2.04 -2.24 113.55 117.49 1nww h SER 15 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1nww h SER 15 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1nww h SER 15 CO 0.58 0.04 -0.35 0.00 -0.87 0.00 0.00 176.83 176.23 1nww n ALA 16 N -2.37 3.28 -0.35 5.18 0.00 -1.26 -4.84 120.51 120.15 1nww n ALA 16 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1nww n ALA 16 Cb 0.13 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.69 1nww n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nww n ALA 17 N -0.45 0.16 -1.25 0.00 0.00 -0.84 -1.44 120.51 116.68 1nww n ALA 17 Ca 0.11 1.04 0.04 0.00 0.00 0.00 0.00 53.44 54.63 1nww n ALA 17 Cb 0.39 -0.60 0.21 0.00 0.00 0.00 0.00 19.45 19.45 1nww n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nww n GLY 18 N -1.58 4.65 3.86 0.00 0.00 -1.17 -2.59 105.19 108.36 1nww n GLY 18 Ca 0.14 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1nww n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nww s ALA 19 N -3.04 3.82 0.30 4.61 0.00 -0.52 -4.72 121.76 122.20 1nww s ALA 19 Ca 0.41 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1nww s ALA 19 Cb 0.36 -1.81 -0.10 0.00 0.00 0.00 0.00 23.12 21.57 1nww s ALA 19 CO 0.03 0.70 1.24 0.00 0.00 0.00 0.00 175.76 177.72 1nww s ALA 20 N -1.21 3.47 0.00 0.00 0.00 -1.26 -4.87 121.76 117.89 1nww s ALA 20 Ca 0.23 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1nww s ALA 20 Cb -0.12 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1nww s ALA 20 CO 0.14 -0.47 0.60 0.43 0.00 0.00 0.00 175.76 176.45 1nww n SER 21 N 1.09 1.13 -3.99 0.00 7.64 -1.26 -4.92 113.62 113.32 1nww n SER 21 Ca 0.00 -1.30 -0.09 0.00 1.01 0.00 0.00 58.87 58.49 1nww n SER 21 Cb 0.43 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.55 1nww n SER 21 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nww s THR 22 N -0.30 0.11 0.18 0.44 -4.23 -1.26 -5.04 115.64 105.54 1nww s THR 22 Ca 0.00 -1.49 -0.14 0.00 -1.18 0.00 0.00 61.69 58.88 1nww s THR 22 Cb 0.00 -1.70 0.08 0.00 1.34 0.00 0.00 72.50 72.22 1nww s THR 22 CO 0.00 -0.52 1.72 -0.65 -0.54 0.00 0.00 174.62 174.64 1nww h PRO 23 N 2.74 0.22 -0.78 3.99 0.11 -1.99 -0.67 132.00 135.63 1nww h PRO 23 Ca -0.33 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 1nww h PRO 23 Cb 1.20 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1nww h PRO 23 CO 0.55 0.15 0.32 -0.44 -0.21 0.00 0.00 178.00 178.36 1nww h ASP 24 N 0.23 1.07 -0.67 -2.05 3.32 -2.00 -1.99 116.42 114.32 1nww h ASP 24 Ca 0.22 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1nww h ASP 24 Cb 0.28 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1nww h ASP 24 CO -0.28 0.95 0.32 -0.33 -1.72 0.00 0.00 179.24 178.17 1nww h GLU 25 N 1.13 1.00 -0.44 3.56 5.08 -1.82 -1.56 114.58 121.52 1nww h GLU 25 Ca 0.26 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nww h GLU 25 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1nww h GLU 25 CO -0.02 0.78 0.26 0.87 -1.00 0.00 0.00 179.01 179.90 1nww h LYS 26 N 0.99 0.61 -0.57 2.33 1.57 -0.67 -0.98 116.57 119.85 1nww h LYS 26 Ca 0.24 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1nww h LYS 26 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1nww h LYS 26 CO -0.03 0.46 0.35 0.82 -0.57 0.00 0.00 179.45 180.48 1nww h ILE 27 N 0.58 1.17 -0.65 1.86 2.04 -1.07 -1.48 117.51 119.96 1nww h ILE 27 Ca 0.16 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 1nww h ILE 27 Cb 0.02 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 1nww h ILE 27 CO -0.03 0.17 0.07 0.58 0.00 0.00 0.00 178.15 178.95 1nww h VAL 28 N 0.77 1.26 -0.08 1.67 2.07 -0.92 0.30 116.25 121.34 1nww h VAL 28 Ca 0.21 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1nww h VAL 28 Cb -0.02 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nww h VAL 28 CO -0.04 0.40 -0.45 -0.07 0.02 0.00 0.00 177.57 177.43 1nww h LEU 29 N 1.01 0.19 -0.64 2.57 3.38 -0.95 0.27 115.31 121.13 1nww h LEU 29 Ca 0.19 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1nww h LEU 29 Cb 0.47 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1nww h LEU 29 CO 0.02 0.62 0.25 -0.33 0.09 0.00 0.00 178.44 179.09 1nww h GLU 30 N 0.15 0.97 -0.58 1.13 5.08 -0.55 -1.81 114.58 118.97 1nww h GLU 30 Ca 0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1nww h GLU 30 Cb 0.86 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1nww h GLU 30 CO 0.07 0.82 0.31 0.35 -1.00 0.00 0.00 179.01 179.56 1nww h PHE 31 N 0.91 0.80 -0.89 4.33 3.04 -0.42 -1.30 116.94 123.41 1nww h PHE 31 Ca 0.21 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.16 1nww h PHE 31 Cb 0.22 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 1nww h PHE 31 CO 0.01 0.59 0.59 0.52 -2.02 0.00 0.00 178.31 178.00 1nww h MET 32 N 0.78 1.15 -0.71 1.11 2.86 -0.69 -1.13 114.93 118.30 1nww h MET 32 Ca 0.20 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1nww h MET 32 Cb 0.06 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.42 1nww h MET 32 CO -0.03 0.76 0.41 -0.44 1.06 0.00 0.00 176.91 178.67 1nww h ASP 33 N 1.18 0.85 1.31 1.22 3.32 -0.81 -2.74 116.42 120.76 1nww h ASP 33 Ca 0.33 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1nww h ASP 33 Cb -0.10 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.23 1nww h ASP 33 CO -0.08 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 178.11 1nww h ALA 34 N 1.48 1.00 -0.65 3.45 0.00 -0.08 -3.28 119.26 121.18 1nww h ALA 34 Ca 0.25 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1nww h ALA 34 Cb -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nww h ALA 34 CO -0.05 0.00 0.43 -0.07 0.00 0.00 0.00 179.25 179.56 1nww h LEU 35 N 0.00 0.56 0.00 0.00 3.38 -1.04 -0.94 115.31 117.26 1nww h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nww h LEU 35 Cb 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1nww h LEU 35 CO 0.00 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1nww n THR 36 N -4.48 0.43 0.25 0.22 -2.24 -1.24 -1.77 114.28 105.45 1nww n THR 36 Ca 0.09 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 1nww n THR 36 Cb 0.24 -0.85 0.60 0.00 -2.10 0.00 0.00 70.33 68.22 1nww n THR 36 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1nww h SER 37 N 0.00 0.00 -4.77 3.42 4.64 -1.40 -3.47 113.55 111.97 1nww h SER 37 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1nww h SER 37 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1nww h SER 37 CO 0.00 0.15 -0.53 0.59 -0.87 0.00 0.00 176.83 176.17 1nww n ASN 38 N -3.40 -4.57 -3.93 4.97 3.02 -0.73 -4.92 115.26 105.71 1nww n ASN 38 Ca -0.00 -0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 54.00 1nww n ASN 38 Cb 0.34 -3.76 -0.15 0.00 -0.61 0.00 0.00 39.78 35.60 1nww n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nww s ASP 39 N -2.57 4.46 0.30 6.41 -1.08 -1.26 -4.90 116.67 118.04 1nww s ASP 39 Ca 0.28 -2.23 -0.01 0.00 -0.52 0.00 0.00 52.55 50.08 1nww s ASP 39 Cb -0.14 -1.43 0.49 0.00 -1.46 0.00 0.00 42.92 40.38 1nww s ASP 39 CO 0.35 -0.35 1.93 0.00 0.52 0.00 0.00 175.17 177.62 1nww h ALA 40 N 7.46 1.47 -0.71 3.66 0.00 -1.91 -1.48 119.26 127.75 1nww h ALA 40 Ca -0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1nww h ALA 40 Cb 0.99 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1nww h ALA 40 CO 0.53 0.44 0.20 0.00 0.00 0.00 0.00 179.25 180.42 1nww h ALA 41 N 1.50 1.01 -0.36 0.00 0.00 -1.94 -0.81 119.26 118.67 1nww h ALA 41 Ca 0.35 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1nww h ALA 41 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nww h ALA 41 CO -0.11 0.65 -0.00 -0.22 0.00 0.00 0.00 179.25 179.57 1nww h LYS 42 N 1.07 0.63 -0.14 0.00 3.64 -1.87 -3.28 116.57 116.61 1nww h LYS 42 Ca 0.23 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1nww h LYS 42 Cb 0.33 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1nww h LYS 42 CO -0.00 0.74 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.41 1nww h LEU 43 N 0.44 0.37 -1.75 5.20 3.38 -1.06 -3.10 115.31 118.79 1nww h LEU 43 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1nww h LEU 43 Cb 0.46 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1nww h LEU 43 CO 0.02 0.77 -0.10 -0.29 0.09 0.00 0.00 178.44 178.92 1nww h ILE 44 N 0.28 0.36 0.00 1.22 6.09 -1.20 -1.91 117.51 122.35 1nww h ILE 44 Ca 0.02 -0.60 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1nww h ILE 44 Cb 0.90 1.44 0.00 0.00 0.47 0.00 0.00 36.82 39.63 1nww h ILE 44 CO 0.07 0.10 0.00 -0.33 -3.07 0.00 0.00 178.15 174.92 1nww h GLU 45 N 0.00 0.00 0.00 2.19 4.39 -1.65 -1.36 114.58 118.15 1nww h GLU 45 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nww h GLU 45 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1nww h GLU 45 CO 0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 1nww n TYR 46 N -2.61 0.33 -3.95 4.33 4.02 -0.72 -4.89 117.16 113.67 1nww n TYR 46 Ca -0.01 0.10 -0.35 0.00 -0.01 0.00 0.00 57.90 57.62 1nww n TYR 46 Cb 0.09 -0.66 -0.06 0.00 -0.02 0.00 0.00 39.34 38.69 1nww n TYR 46 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1nww s PHE 47 N -3.04 3.51 0.76 -0.72 0.40 -0.52 -0.79 117.98 117.59 1nww s PHE 47 Ca 0.12 0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 56.76 1nww s PHE 47 Cb 0.16 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1nww s PHE 47 CO 0.54 0.67 1.09 0.00 0.70 0.00 0.00 175.22 178.22 1nww s ALA 48 N -1.13 2.28 0.14 5.36 0.00 -0.52 -4.76 121.76 123.13 1nww s ALA 48 Ca 0.19 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1nww s ALA 48 Cb -0.12 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1nww s ALA 48 CO 0.09 -1.72 1.80 0.93 0.00 0.00 0.00 175.76 176.86 1nww h GLU 49 N -1.02 0.46 -5.29 0.00 4.39 -1.98 -3.37 114.58 107.77 1nww h GLU 49 Ca -0.44 -0.03 -0.65 0.00 0.34 0.00 0.00 59.36 58.58 1nww h GLU 49 Cb 1.23 -0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.62 1nww h GLU 49 CO 0.52 0.31 0.62 0.34 -1.16 0.00 0.00 179.01 179.64 1nww s ASP 50 N -5.52 6.31 0.31 1.42 3.68 -1.26 -2.30 116.67 119.31 1nww s ASP 50 Ca -0.13 -1.33 -0.08 0.00 2.13 0.00 0.00 52.55 53.13 1nww s ASP 50 Cb 0.10 -2.41 0.01 0.00 -1.45 0.00 0.00 42.92 39.17 1nww s ASP 50 CO 0.72 -1.32 0.53 0.28 0.13 0.00 0.00 175.17 175.50 1nww s THR 51 N 3.61 0.00 0.10 1.71 -1.32 -1.26 -4.60 115.64 113.87 1nww s THR 51 Ca 0.25 -1.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.10 1nww s THR 51 Cb -0.13 -2.52 0.05 0.00 -1.51 0.00 0.00 72.50 68.38 1nww s THR 51 CO 0.04 0.00 0.47 0.00 -2.21 0.00 0.00 174.62 172.91 1nww s MET 52 N -3.28 1.07 -0.02 7.08 0.23 -1.02 -0.58 119.30 122.77 1nww s MET 52 Ca 0.25 -0.48 -0.00 0.00 -1.03 0.00 0.00 55.69 54.42 1nww s MET 52 Cb -0.01 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1nww s MET 52 CO 0.15 -0.41 0.04 -0.47 -2.03 0.00 0.00 175.02 172.29 1nww s TYR 53 N -3.21 -0.01 -0.11 3.16 5.04 -0.43 -1.62 117.35 120.17 1nww s TYR 53 Ca -0.01 0.13 -0.05 0.00 -2.44 0.00 0.00 57.07 54.70 1nww s TYR 53 Cb 0.00 -0.13 0.05 0.00 0.35 0.00 0.00 41.96 42.23 1nww s TYR 53 CO -0.08 -0.07 0.25 -1.14 -1.34 0.00 0.00 175.55 173.18 1nww s GLN 54 N 0.69 0.18 -0.45 4.97 0.74 -0.06 -0.91 119.66 124.81 1nww s GLN 54 Ca -0.06 0.62 -0.28 0.00 0.05 0.00 0.00 55.36 55.69 1nww s GLN 54 Cb -0.08 -0.09 0.03 0.00 1.10 0.00 0.00 33.01 33.97 1nww s GLN 54 CO -0.02 -0.22 1.09 -0.80 -0.55 0.00 0.00 175.29 174.79 1nww s ASN 55 N 1.78 6.66 0.63 6.67 0.01 -1.26 -1.40 114.94 128.04 1nww s ASN 55 Ca -0.05 0.52 0.36 0.00 -0.71 0.00 0.00 52.86 52.98 1nww s ASN 55 Cb -0.11 -2.53 2.00 0.00 0.41 0.00 0.00 41.25 41.02 1nww s ASN 55 CO -0.08 -1.15 2.22 0.24 -1.51 0.00 0.00 177.10 176.81 1nww h MET 56 N 9.00 0.00 0.00 -0.60 2.86 -1.29 0.69 114.93 125.59 1nww h MET 56 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1nww h MET 56 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1nww h MET 56 CO 1.09 0.00 0.00 -2.30 1.06 0.00 0.00 176.91 176.76 1nww n PRO 57 N -3.39 0.06 -4.39 -0.22 -0.02 -1.26 -4.84 135.00 120.93 1nww n PRO 57 Ca -0.02 0.33 -0.20 0.00 -2.02 0.00 0.00 63.50 61.60 1nww n PRO 57 Cb 0.18 -1.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.94 1nww n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nww s LEU 58 N -3.46 2.32 0.62 2.45 1.43 0.23 -5.08 118.68 117.19 1nww s LEU 58 Ca 0.05 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 51.75 1nww s LEU 58 Cb 0.09 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 1nww s LEU 58 CO 0.28 -0.46 1.17 -2.84 0.23 0.00 0.00 176.35 174.73 1nww s PRO 59 N -3.81 2.88 0.68 1.29 0.02 -1.26 -4.61 135.00 130.19 1nww s PRO 59 Ca 0.30 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.87 1nww s PRO 59 Cb 0.05 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.64 1nww s PRO 59 CO 0.11 -1.24 1.06 -1.25 -0.33 0.00 0.00 177.00 175.35 1nww s PRO 60 N -3.60 3.03 -0.13 5.54 0.04 -1.26 -4.72 135.00 133.90 1nww s PRO 60 Ca 0.73 0.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1nww s PRO 60 Cb -0.26 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1nww s PRO 60 CO 0.36 -1.02 -0.12 0.00 0.04 0.00 0.00 177.00 176.26 1nww s ALA 61 N -3.07 2.68 -0.13 8.56 0.00 -0.09 -5.00 121.76 124.71 1nww s ALA 61 Ca 0.58 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1nww s ALA 61 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 1nww s ALA 61 CO 0.55 0.25 -0.15 0.71 0.00 0.00 0.00 175.76 177.13 1nww s TYR 62 N 0.32 2.78 0.00 0.00 1.51 -1.26 -1.31 117.35 119.38 1nww s TYR 62 Ca -0.09 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.17 1nww s TYR 62 Cb -0.16 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1nww s TYR 62 CO 0.05 -0.31 0.00 0.41 -1.11 0.00 0.00 175.55 174.59 1nww n GLY 63 N 3.69 0.54 0.34 0.71 0.00 0.25 -4.40 105.19 106.32 1nww n GLY 63 Ca -0.18 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1nww n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nww h ARG 64 N 0.00 1.11 -0.38 1.61 2.43 -1.67 -1.95 114.38 115.52 1nww h ARG 64 Ca 0.00 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1nww h ARG 64 Cb 0.00 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 1nww h ARG 64 CO 0.00 0.88 0.18 -0.44 -1.51 0.00 0.00 179.97 179.08 1nww h ASP 65 N 1.09 0.50 -0.65 -3.80 3.32 -1.88 -0.87 116.42 114.14 1nww h ASP 65 Ca 0.26 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1nww h ASP 65 Cb 0.17 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1nww h ASP 65 CO -0.03 0.50 0.27 0.00 -1.72 0.00 0.00 179.24 178.26 1nww h ALA 66 N 1.03 1.21 -0.11 3.45 0.00 -1.67 -0.79 119.26 122.39 1nww h ALA 66 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nww h ALA 66 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1nww h ALA 66 CO -0.02 0.58 0.05 0.28 0.00 0.00 0.00 179.25 180.15 1nww h VAL 67 N 0.97 1.11 -0.67 0.00 2.07 -1.08 -1.00 116.25 117.64 1nww h VAL 67 Ca 0.23 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1nww h VAL 67 Cb 0.18 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1nww h VAL 67 CO -0.02 0.10 0.42 -0.08 0.02 0.00 0.00 177.57 178.01 1nww h GLU 68 N 0.06 0.82 -0.41 1.57 4.81 -0.76 -1.03 114.58 119.63 1nww h GLU 68 Ca 0.04 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1nww h GLU 68 Cb 0.11 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1nww h GLU 68 CO -0.01 0.54 0.01 1.96 -0.73 0.00 0.00 179.01 180.79 1nww h GLN 69 N 0.84 0.66 -0.15 1.92 4.20 -1.00 0.11 115.11 121.68 1nww h GLN 69 Ca 0.26 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1nww h GLN 69 Cb -0.01 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1nww h GLN 69 CO -0.09 0.67 -0.00 1.15 -0.67 0.00 0.00 178.83 179.88 1nww h THR 70 N 0.62 1.25 -0.62 -0.54 2.02 -0.69 -1.89 112.91 113.07 1nww h THR 70 Ca 0.13 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1nww h THR 70 Cb 0.37 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1nww h THR 70 CO 0.01 0.25 0.37 -0.07 0.37 0.00 0.00 175.52 176.44 1nww h LEU 71 N 0.00 0.75 -0.88 2.58 3.38 -0.93 -0.16 115.31 120.05 1nww h LEU 71 Ca 0.04 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1nww h LEU 71 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nww h LEU 71 CO 0.01 0.60 0.57 0.00 0.09 0.00 0.00 178.44 179.70 1nww h ALA 72 N 1.18 1.11 -0.23 1.53 0.00 -0.87 -1.31 119.26 120.68 1nww h ALA 72 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nww h ALA 72 Cb -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1nww h ALA 72 CO -0.04 0.53 0.10 0.78 0.00 0.00 0.00 179.25 180.63 1nww h GLY 73 N 1.19 0.36 0.11 0.00 0.00 -0.89 -2.78 103.07 101.07 1nww h GLY 73 Ca 0.32 -0.19 0.10 0.00 0.00 0.00 0.00 47.33 47.57 1nww h GLY 73 CO -0.07 0.18 -0.02 -2.00 0.00 0.00 0.00 176.54 174.63 1nww h LEU 74 N 0.24 -0.26 0.00 3.11 5.85 -0.66 -1.07 115.31 122.52 1nww h LEU 74 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1nww h LEU 74 Cb 0.14 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1nww h LEU 74 CO -0.01 -0.09 0.00 0.49 -0.34 0.00 0.00 178.44 178.49 1nww n PHE 75 N -5.26 0.00 0.10 1.25 0.99 -0.53 -0.87 117.46 113.14 1nww n PHE 75 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.48 1nww n PHE 75 Cb 0.28 -0.26 -0.03 0.00 -1.00 0.00 0.00 39.48 38.47 1nww n PHE 75 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1nww h THR 76 N 0.00 1.35 0.00 4.37 2.02 -0.90 -3.38 112.91 116.37 1nww h THR 76 Ca 0.00 -2.83 -0.12 0.00 0.77 0.00 0.00 66.41 64.24 1nww h THR 76 Cb 0.22 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1nww h THR 76 CO 0.00 0.75 -1.81 1.33 0.37 0.00 0.00 175.52 176.16 1nww n VAL 77 N -3.34 0.44 -4.04 3.16 0.24 -0.74 -4.88 118.33 109.18 1nww n VAL 77 Ca 0.01 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 1nww n VAL 77 Cb 0.83 -0.21 -0.11 0.00 -1.47 0.00 0.00 33.84 32.89 1nww n VAL 77 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1nww s MET 78 N -2.72 0.48 -0.09 7.34 1.00 -0.05 -0.60 119.30 124.66 1nww s MET 78 Ca -0.06 -0.93 0.01 0.00 0.00 0.00 0.00 55.69 54.71 1nww s MET 78 Cb 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 34.83 35.01 1nww s MET 78 CO 0.60 -0.07 -0.09 0.45 0.00 0.00 0.00 175.02 175.91 1nww s SER 79 N -2.20 4.43 -0.50 3.03 0.15 -0.05 -4.21 113.70 114.35 1nww s SER 79 Ca -0.04 -0.12 -0.21 0.00 0.70 0.00 0.00 55.95 56.28 1nww s SER 79 Cb -0.01 -1.26 0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1nww s SER 79 CO -0.05 0.30 0.72 -0.63 1.20 0.00 0.00 173.24 174.77 1nww s ILE 80 N -0.44 4.73 -0.24 6.45 1.01 -1.26 -0.90 121.20 130.55 1nww s ILE 80 Ca 0.06 -0.12 0.23 0.00 0.00 0.00 0.00 60.65 60.81 1nww s ILE 80 Cb -0.12 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1nww s ILE 80 CO 0.02 -0.83 1.00 0.47 0.00 0.00 0.00 174.94 175.60 1nww n ASP 81 N 6.54 0.76 -3.54 3.58 8.00 0.20 -4.32 116.55 127.77 1nww n ASP 81 Ca -0.03 0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.62 1nww n ASP 81 Cb 0.47 0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 42.11 1nww n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nww s ALA 82 N -3.37 -1.84 -0.03 2.24 0.00 -1.22 -4.97 121.76 112.57 1nww s ALA 82 Ca -0.01 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1nww s ALA 82 Cb 0.10 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1nww s ALA 82 CO 0.80 -0.39 -0.01 0.08 0.00 0.00 0.00 175.76 176.24 1nww s VAL 83 N -1.47 0.21 -0.10 0.00 1.01 -1.26 -0.58 120.40 118.20 1nww s VAL 83 Ca -0.04 0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1nww s VAL 83 Cb -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1nww s VAL 83 CO 0.03 0.14 -0.11 -0.70 0.00 0.00 0.00 175.10 174.46 1nww s GLU 84 N 0.90 1.83 -0.40 2.72 2.12 -0.27 -5.01 118.70 120.59 1nww s GLU 84 Ca -0.09 -0.40 -0.14 0.00 0.36 0.00 0.00 54.97 54.69 1nww s GLU 84 Cb -0.13 -1.67 0.02 0.00 0.26 0.00 0.00 34.13 32.61 1nww s GLU 84 CO -0.01 -0.14 0.28 0.99 -0.54 0.00 0.00 175.26 175.83 1nww s THR 85 N 1.25 5.15 0.02 -1.70 2.01 -1.26 -1.16 115.64 119.95 1nww s THR 85 Ca -0.03 -0.66 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1nww s THR 85 Cb -0.14 -3.86 -0.22 0.00 0.01 0.00 0.00 72.50 68.29 1nww s THR 85 CO -0.04 -0.28 1.13 -0.26 -0.69 0.00 0.00 174.62 174.49 1nww h PHE 86 N 8.59 0.67 -3.83 4.92 0.05 -1.17 -3.41 116.94 122.75 1nww h PHE 86 Ca -0.27 -0.35 -0.33 0.00 3.82 0.00 0.00 57.97 60.84 1nww h PHE 86 Cb 1.12 -0.08 -0.29 0.00 2.00 0.00 0.00 35.95 38.70 1nww h PHE 86 CO 0.56 1.16 -0.75 -1.01 -0.18 0.00 0.00 178.31 178.09 1nww s HIS 87 N -3.31 0.45 -0.00 -0.55 3.76 -1.08 -3.05 115.29 111.50 1nww s HIS 87 Ca -0.13 -0.08 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 1nww s HIS 87 Cb 0.04 -0.32 -0.00 0.00 1.11 0.00 0.00 32.58 33.41 1nww s HIS 87 CO 0.83 -0.03 -0.03 -1.50 -0.85 0.00 0.00 174.74 173.16 1nww s ILE 88 N 0.06 0.25 0.32 0.60 2.07 -1.07 -0.98 121.20 122.45 1nww s ILE 88 Ca -0.00 -0.12 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 1nww s ILE 88 Cb -0.04 -0.23 0.02 0.00 0.13 0.00 0.00 42.46 42.34 1nww s ILE 88 CO -0.00 0.08 0.58 -0.83 -1.91 0.00 0.00 174.94 172.86 1nww s GLY 89 N 0.02 0.77 0.03 1.50 0.00 -0.70 -4.83 107.32 104.10 1nww s GLY 89 Ca 0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 1nww s GLY 89 CO -0.00 -0.63 0.74 -1.35 0.00 0.00 0.00 173.10 171.86 1nww s SER 90 N -3.10 -0.51 -0.14 1.64 1.04 -1.26 -0.62 113.70 110.75 1nww s SER 90 Ca 0.22 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.58 1nww s SER 90 Cb -0.02 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.69 1nww s SER 90 CO 0.13 -0.72 0.83 -0.44 0.98 0.00 0.00 173.24 174.03 1nww s SER 91 N -2.11 -0.55 -1.45 7.02 0.01 -0.44 -5.01 113.70 111.17 1nww s SER 91 Ca -0.01 0.72 -0.12 0.00 1.31 0.00 0.00 55.95 57.85 1nww s SER 91 Cb -0.01 0.62 0.09 0.00 0.21 0.00 0.00 66.02 66.93 1nww s SER 91 CO -0.05 -0.42 0.68 0.59 0.41 0.00 0.00 173.24 174.44 1nww n ASN 92 N 1.22 -3.96 0.00 2.44 3.02 -1.26 -1.68 115.26 115.04 1nww n ASN 92 Ca -0.15 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1nww n ASN 92 Cb 0.57 -3.24 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 1nww n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nww n GLY 93 N -1.35 0.73 3.33 7.41 0.00 -1.26 -5.05 105.19 109.00 1nww n GLY 93 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1nww n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nww s LEU 94 N 0.00 2.21 -0.06 0.99 1.43 -0.68 -2.87 118.68 119.71 1nww s LEU 94 Ca 0.00 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1nww s LEU 94 Cb 0.00 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1nww s LEU 94 CO 0.00 0.30 -0.14 -0.69 0.23 0.00 0.00 176.35 176.05 1nww s VAL 95 N -0.49 3.04 -0.04 -1.59 1.01 0.16 -1.33 120.40 121.15 1nww s VAL 95 Ca 0.06 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.38 1nww s VAL 95 Cb -0.11 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1nww s VAL 95 CO 0.01 0.58 -0.24 -0.31 0.00 0.00 0.00 175.10 175.14 1nww s TYR 96 N -0.60 2.25 -0.10 5.22 1.51 0.21 -0.46 117.35 125.39 1nww s TYR 96 Ca 0.09 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1nww s TYR 96 Cb -0.11 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1nww s TYR 96 CO 0.01 -0.15 -0.11 0.95 -1.11 0.00 0.00 175.55 175.15 1nww s THR 97 N -0.28 1.17 -0.30 -0.71 -4.23 -0.05 -1.72 115.64 109.53 1nww s THR 97 Ca 0.01 -0.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.98 1nww s THR 97 Cb -0.12 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1nww s THR 97 CO 0.02 0.38 0.19 -0.70 -0.54 0.00 0.00 174.62 173.97 1nww s GLU 98 N 1.27 3.69 0.24 3.99 2.12 -0.15 -1.07 118.70 128.80 1nww s GLU 98 Ca -0.03 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.76 1nww s GLU 98 Cb -0.14 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1nww s GLU 98 CO -0.04 -0.30 0.32 -0.98 -0.54 0.00 0.00 175.26 173.72 1nww s ARG 99 N 1.71 1.45 -0.06 4.30 1.70 0.09 -0.51 118.95 127.63 1nww s ARG 99 Ca 0.06 -1.51 0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1nww s ARG 99 Cb -0.16 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1nww s ARG 99 CO 0.09 -0.55 -0.17 0.08 -1.08 0.00 0.00 175.30 173.67 1nww s VAL 100 N -3.95 1.47 -0.12 4.99 1.01 -0.31 -1.21 120.40 122.29 1nww s VAL 100 Ca 0.31 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1nww s VAL 100 Cb 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1nww s VAL 100 CO 0.12 0.43 -0.12 -1.81 0.00 0.00 0.00 175.10 173.73 1nww s ASP 101 N 0.32 4.15 -0.31 3.32 1.11 -0.47 -1.11 116.67 123.68 1nww s ASP 101 Ca -0.11 -0.27 -0.21 0.00 0.18 0.00 0.00 52.55 52.14 1nww s ASP 101 Cb -0.15 -1.55 -0.01 0.00 1.07 0.00 0.00 42.92 42.29 1nww s ASP 101 CO 0.04 0.19 0.67 -0.69 1.18 0.00 0.00 175.17 176.56 1nww s VAL 102 N 0.21 4.90 -0.07 -1.27 1.01 0.26 -0.90 120.40 124.52 1nww s VAL 102 Ca -0.07 0.90 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1nww s VAL 102 Cb -0.15 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1nww s VAL 102 CO 0.05 -0.19 -0.14 -0.76 0.00 0.00 0.00 175.10 174.06 1nww s LEU 103 N 2.71 2.71 -0.14 3.92 1.43 -0.27 -0.63 118.68 128.41 1nww s LEU 103 Ca 0.27 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1nww s LEU 103 Cb -0.15 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.52 1nww s LEU 103 CO 0.12 0.29 -0.21 -0.60 0.23 0.00 0.00 176.35 176.18 1nww s ARG 104 N -0.38 2.91 -0.37 1.70 3.52 -0.08 -0.79 118.95 125.46 1nww s ARG 104 Ca 0.04 -0.81 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 1nww s ARG 104 Cb -0.12 -2.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1nww s ARG 104 CO 0.02 -0.03 0.98 0.00 -0.81 0.00 0.00 175.30 175.47 1nww s ALA 105 N 0.85 3.40 0.32 6.12 0.00 0.03 -0.87 121.76 131.61 1nww s ALA 105 Ca -0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 1nww s ALA 105 Cb -0.15 -3.61 0.53 0.00 0.00 0.00 0.00 23.12 19.89 1nww s ALA 105 CO -0.02 -1.65 1.97 -0.07 0.00 0.00 0.00 175.76 175.99 1nww h LEU 106 N 10.20 0.86 -1.62 0.00 3.38 -1.18 0.11 115.31 127.07 1nww h LEU 106 Ca -0.23 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1nww h LEU 106 Cb 1.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1nww h LEU 106 CO 1.01 0.61 -0.21 -0.65 0.09 0.00 0.00 178.44 179.29 1nww h PRO 107 N 1.01 0.00 0.00 1.13 0.11 -1.92 -3.30 132.00 129.03 1nww h PRO 107 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 1nww h PRO 107 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1nww h PRO 107 CO -0.07 0.21 -0.86 0.25 -0.21 0.00 0.00 178.00 177.31 1nww n THR 108 N -4.02 0.00 -0.95 -1.15 -2.24 -0.98 -5.01 114.28 99.94 1nww n THR 108 Ca -0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1nww n THR 108 Cb 0.29 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1nww n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nww n GLY 109 N 1.83 0.56 3.88 3.38 0.00 0.35 -5.01 105.19 110.19 1nww n GLY 109 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1nww n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nww s LYS 110 N -0.35 3.68 0.32 1.61 1.02 -1.24 -4.84 119.74 119.93 1nww s LYS 110 Ca 0.00 0.03 0.10 0.00 0.02 0.00 0.00 55.97 56.12 1nww s LYS 110 Cb 0.00 -2.89 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1nww s LYS 110 CO 0.00 0.49 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.69 1nww s SER 111 N -2.17 3.79 -0.13 2.83 0.01 -1.26 -0.79 113.70 115.98 1nww s SER 111 Ca 0.38 -1.08 -0.15 0.00 1.31 0.00 0.00 55.95 56.42 1nww s SER 111 Cb -0.13 -0.38 0.04 0.00 0.21 0.00 0.00 66.02 65.76 1nww s SER 111 CO 0.22 -0.11 0.40 -0.47 0.41 0.00 0.00 173.24 173.69 1nww s TYR 112 N -2.54 -0.42 -0.54 2.43 5.04 0.03 -4.80 117.35 116.55 1nww s TYR 112 Ca 0.32 0.98 -0.20 0.00 -2.44 0.00 0.00 57.07 55.73 1nww s TYR 112 Cb -0.01 0.15 0.07 0.00 0.35 0.00 0.00 41.96 42.52 1nww s TYR 112 CO 0.17 -0.25 0.71 -0.80 -1.34 0.00 0.00 175.55 174.04 1nww s ASN 113 N -0.02 6.22 -0.30 4.32 -0.87 -1.26 -1.12 114.94 121.92 1nww s ASN 113 Ca -0.02 -0.97 -0.17 0.00 -1.57 0.00 0.00 52.86 50.13 1nww s ASN 113 Cb -0.03 -2.32 -0.02 0.00 -0.02 0.00 0.00 41.25 38.86 1nww s ASN 113 CO 0.01 -1.03 0.46 -0.22 -2.57 0.00 0.00 177.10 173.75 1nww s LEU 114 N 2.92 4.16 -0.11 0.60 2.96 -0.08 -4.93 118.68 124.20 1nww s LEU 114 Ca 0.17 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.01 1nww s LEU 114 Cb -0.19 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.94 1nww s LEU 114 CO 0.11 -0.32 1.05 -0.44 -1.32 0.00 0.00 176.35 175.44 1nww s SER 115 N 1.65 7.18 -0.01 3.68 0.01 -1.26 -1.37 113.70 123.59 1nww s SER 115 Ca 0.18 1.57 0.02 0.00 1.31 0.00 0.00 55.95 59.03 1nww s SER 115 Cb -0.16 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1nww s SER 115 CO 0.11 -0.51 -0.07 -0.63 0.41 0.00 0.00 173.24 172.55 1nww s ILE 116 N 2.24 0.56 -0.16 1.44 1.01 -0.35 -4.61 121.20 121.32 1nww s ILE 116 Ca 0.49 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1nww s ILE 116 Cb -0.19 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1nww s ILE 116 CO 0.17 0.16 -0.17 -0.22 0.00 0.00 0.00 174.94 174.88 1nww s LEU 117 N -0.14 2.35 0.15 2.97 2.96 -0.83 -0.73 118.68 125.40 1nww s LEU 117 Ca 0.02 -0.53 0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1nww s LEU 117 Cb -0.03 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1nww s LEU 117 CO -0.00 0.07 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.10 1nww s GLY 118 N 0.92 1.26 -0.01 7.98 0.00 -0.23 -0.72 107.32 116.54 1nww s GLY 118 Ca -0.04 -1.42 0.05 0.00 0.00 0.00 0.00 44.72 43.32 1nww s GLY 118 CO -0.03 -1.47 -0.16 0.54 0.00 0.00 0.00 173.10 171.98 1nww s VAL 119 N -2.15 1.28 -0.05 1.40 0.11 -0.12 -0.87 120.40 120.00 1nww s VAL 119 Ca 0.13 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1nww s VAL 119 Cb -0.05 -1.07 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1nww s VAL 119 CO 0.05 0.32 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.68 1nww s PHE 120 N -0.44 1.20 -0.18 1.54 0.40 0.40 -1.09 117.98 119.82 1nww s PHE 120 Ca 0.06 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1nww s PHE 120 Cb -0.06 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1nww s PHE 120 CO -0.00 -0.21 -0.03 -0.65 0.70 0.00 0.00 175.22 175.03 1nww s GLN 121 N 0.55 3.59 -0.01 0.44 -0.21 0.06 -0.67 119.66 123.41 1nww s GLN 121 Ca -0.10 -0.55 0.08 0.00 0.02 0.00 0.00 55.36 54.80 1nww s GLN 121 Cb -0.13 -2.95 -0.02 0.00 1.00 0.00 0.00 33.01 30.90 1nww s GLN 121 CO 0.02 0.10 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.53 1nww s LEU 122 N 0.72 2.06 -0.15 2.90 1.02 -1.14 -0.18 118.68 123.92 1nww s LEU 122 Ca -0.02 -0.47 -0.00 0.00 0.02 0.00 0.00 54.13 53.66 1nww s LEU 122 Cb -0.14 -1.31 0.03 0.00 0.02 0.00 0.00 46.19 44.79 1nww s LEU 122 CO 0.02 0.31 -0.08 -0.89 0.02 0.00 0.00 176.35 175.73 1nww s THR 123 N -0.62 1.21 -1.48 5.49 2.01 -0.18 -4.81 115.64 117.26 1nww s THR 123 Ca 0.10 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 1nww s THR 123 Cb -0.10 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.19 1nww s THR 123 CO -0.01 0.26 0.93 -0.62 -0.69 0.00 0.00 174.62 174.49 1nww n GLU 124 N 4.86 -5.70 -0.85 4.92 1.02 -1.26 -1.75 120.64 121.89 1nww n GLU 124 Ca -0.13 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1nww n GLU 124 Cb 0.49 -5.57 0.00 0.00 -0.02 0.00 0.00 31.44 26.34 1nww n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nww n GLY 125 N -1.68 0.84 3.46 0.62 0.00 -1.26 -5.02 105.19 102.15 1nww n GLY 125 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1nww n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nww s LYS 126 N -0.15 1.70 -0.21 1.61 -0.14 -0.71 -5.00 119.74 116.84 1nww s LYS 126 Ca 0.00 -1.21 -0.29 0.00 -1.36 0.00 0.00 55.97 53.11 1nww s LYS 126 Cb 0.00 -2.06 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 1nww s LYS 126 CO 0.00 0.48 1.09 0.42 -0.76 0.00 0.00 175.35 176.57 1nww s ILE 127 N -1.10 4.60 -0.82 2.17 1.01 0.03 -1.01 121.20 126.07 1nww s ILE 127 Ca 0.17 1.92 0.19 0.00 0.00 0.00 0.00 60.65 62.93 1nww s ILE 127 Cb -0.10 -4.24 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 1nww s ILE 127 CO 0.09 -0.16 0.78 0.35 0.00 0.00 0.00 174.94 176.00 1nww n THR 128 N 5.26 0.00 -3.61 2.92 -2.24 0.75 -1.44 114.28 115.92 1nww n THR 128 Ca 0.12 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1nww n THR 128 Cb 0.46 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.52 1nww n THR 128 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nww s GLY 129 N -3.00 -0.39 -0.12 3.38 0.00 -1.11 -2.43 107.32 103.66 1nww s GLY 129 Ca 0.06 2.16 -0.04 0.00 0.00 0.00 0.00 44.72 46.90 1nww s GLY 129 CO 0.80 1.61 0.17 0.86 0.00 0.00 0.00 173.10 176.54 1nww s TRP 130 N -0.02 -0.17 -0.11 1.90 -0.00 -0.64 -0.76 118.94 119.15 1nww s TRP 130 Ca -0.01 0.45 0.01 0.00 -0.00 0.00 0.00 56.10 56.55 1nww s TRP 130 Cb -0.04 -0.32 0.02 0.00 -0.00 0.00 0.00 33.47 33.13 1nww s TRP 130 CO -0.00 -0.36 -0.11 1.03 -0.00 0.00 0.00 176.95 177.51 1nww s ARG 131 N 2.29 1.84 -0.16 5.86 0.52 -0.25 -0.88 118.95 128.17 1nww s ARG 131 Ca 0.04 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1nww s ARG 131 Cb -0.13 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.60 1nww s ARG 131 CO -0.07 -0.17 -0.04 -0.51 0.02 0.00 0.00 175.30 174.52 1nww s ASP 132 N 1.34 4.71 -0.13 0.23 1.01 -0.49 -0.95 116.67 122.38 1nww s ASP 132 Ca -0.01 -0.16 -0.02 0.00 0.71 0.00 0.00 52.55 53.08 1nww s ASP 132 Cb -0.14 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.00 1nww s ASP 132 CO -0.05 0.16 -0.07 -0.31 0.21 0.00 0.00 175.17 175.11 1nww s TYR 133 N 0.41 2.95 0.05 4.23 1.51 0.11 -0.73 117.35 125.88 1nww s TYR 133 Ca -0.04 -0.33 -0.28 0.00 -1.01 0.00 0.00 57.07 55.41 1nww s TYR 133 Cb -0.14 -1.88 0.10 0.00 -0.11 0.00 0.00 41.96 39.92 1nww s TYR 133 CO 0.03 -0.02 1.17 -0.59 -1.11 0.00 0.00 175.55 175.04 1nww s PHE 134 N 0.15 -0.05 -0.27 2.71 -0.12 -1.26 -1.97 117.98 117.17 1nww s PHE 134 Ca -0.03 -0.15 -0.16 0.00 -0.05 0.00 0.00 56.93 56.54 1nww s PHE 134 Cb -0.14 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1nww s PHE 134 CO 0.03 -0.50 0.43 0.34 -0.05 0.00 0.00 175.22 175.48 1nww s ASP 135 N -3.10 6.32 0.07 1.98 2.15 -1.26 -4.64 116.67 118.18 1nww s ASP 135 Ca 0.16 0.36 -0.13 0.00 0.43 0.00 0.00 52.55 53.37 1nww s ASP 135 Cb 0.02 -2.24 -0.26 0.00 -0.30 0.00 0.00 42.92 40.14 1nww s ASP 135 CO -0.01 -0.23 1.15 0.25 -0.17 0.00 0.00 175.17 176.15 1nww h LEU 136 N 8.69 0.83 -0.58 -1.34 5.85 -2.00 -3.36 115.31 123.40 1nww h LEU 136 Ca -0.30 -0.74 -0.01 0.00 0.84 0.00 0.00 57.88 57.66 1nww h LEU 136 Cb 1.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1nww h LEU 136 CO 0.67 1.55 0.31 -0.09 -0.34 0.00 0.00 178.44 180.54 1nww h ARG 137 N 0.29 0.82 -0.95 1.25 2.43 -1.99 -1.19 114.38 115.04 1nww h ARG 137 Ca -0.16 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 58.94 1nww h ARG 137 Cb 1.84 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 31.18 1nww h ARG 137 CO 0.22 0.63 0.62 0.93 -1.51 0.00 0.00 179.97 180.87 1nww h GLU 138 N 0.79 1.18 0.12 0.20 5.08 -2.00 -0.46 114.58 119.49 1nww h GLU 138 Ca 0.20 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1nww h GLU 138 Cb 0.06 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1nww h GLU 138 CO -0.03 0.78 -0.06 0.35 -1.00 0.00 0.00 179.01 179.06 1nww h PHE 139 N 1.22 -0.15 -0.75 4.33 3.57 -1.59 -2.34 116.94 121.24 1nww h PHE 139 Ca 0.38 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.96 1nww h PHE 139 Cb -0.02 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1nww h PHE 139 CO -0.01 0.07 0.40 0.93 -2.23 0.00 0.00 178.31 177.47 1nww h GLU 140 N -0.34 0.67 -0.31 1.11 5.08 -0.81 -1.73 114.58 118.25 1nww h GLU 140 Ca -0.02 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1nww h GLU 140 Cb 0.28 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1nww h GLU 140 CO 0.03 0.44 -0.20 0.93 -1.00 0.00 0.00 179.01 179.21 1nww h GLU 141 N 0.69 0.58 -0.03 2.33 5.08 -1.06 -1.19 114.58 120.99 1nww h GLU 141 Ca 0.36 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1nww h GLU 141 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1nww h GLU 141 CO -0.24 0.74 -0.63 0.00 -1.00 0.00 0.00 179.01 177.88 1nww h ALA 142 N 1.27 0.89 -0.06 3.43 0.00 -0.77 -3.32 119.26 120.70 1nww h ALA 142 Ca 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nww h ALA 142 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nww h ALA 142 CO 0.04 0.77 0.00 1.33 0.00 0.00 0.00 179.25 181.39 1nww n VAL 143 N -3.82 0.11 -3.47 0.00 0.24 -0.77 -4.78 118.33 105.85 1nww n VAL 143 Ca -0.02 -0.56 -0.20 0.00 -2.04 0.00 0.00 64.34 61.53 1nww n VAL 143 Cb 0.63 1.18 0.08 0.00 -1.47 0.00 0.00 33.84 34.26 1nww n VAL 143 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nww n ASP 144 N 0.71 -4.01 -3.72 -1.34 8.00 -0.46 -4.69 116.55 111.03 1nww n ASP 144 Ca 0.08 -0.56 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 1nww n ASP 144 Cb 0.33 -4.94 -0.14 0.00 -0.02 0.00 0.00 41.12 36.36 1nww n ASP 144 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nww s LEU 145 N -6.64 0.41 -0.59 0.64 2.96 -1.15 -4.94 118.68 109.38 1nww s LEU 145 Ca 0.27 0.43 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 1nww s LEU 145 Cb -0.12 0.54 0.03 0.00 0.50 0.00 0.00 46.19 47.14 1nww s LEU 145 CO 0.71 -0.17 1.22 -2.16 -1.32 0.00 0.00 176.35 174.63 1nww s PRO 146 N 1.44 3.47 0.00 0.98 0.04 -1.26 -4.59 135.00 135.08 1nww s PRO 146 Ca -0.07 0.24 0.30 0.00 0.04 0.00 0.00 61.00 61.51 1nww s PRO 146 Cb -0.11 -4.04 1.53 0.00 0.04 0.00 0.00 34.50 31.92 1nww s PRO 146 CO -0.07 -1.75 2.02 1.28 0.04 0.00 0.00 177.00 178.52 1nww n LEU 147 N 8.64 0.46 -0.59 -3.56 4.77 -1.26 -1.83 117.00 123.63 1nww n LEU 147 Ca 0.09 -0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1nww n LEU 147 Cb 0.49 -0.06 0.33 0.00 -2.33 0.00 0.00 43.42 41.85 1nww n LEU 147 CO 0.71 0.08 0.71 0.54 -1.33 0.00 0.00 177.39 178.11 1nww n ARG 148 N -0.73 1.69 0.00 3.23 1.74 -1.26 -5.09 116.66 116.24 1nww n ARG 148 Ca 0.20 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.10 1nww n ARG 148 Cb 0.21 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1nww n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52