#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwe s LYS 24 N 0.00 0.84 -0.03 0.03 -0.14 -1.26 -5.14 119.74 114.03 1jwe s LYS 24 Ca 0.00 -1.37 0.01 0.00 -1.36 0.00 0.00 55.97 53.25 1jwe s LYS 24 Cb 0.00 0.15 0.02 0.00 -1.68 0.00 0.00 37.83 36.32 1jwe s LYS 24 CO 0.00 -0.18 -0.04 0.08 -0.76 0.00 0.00 175.35 174.45 1jwe s VAL 25 N -3.94 0.45 -0.18 3.17 1.01 -1.26 -5.10 120.40 114.56 1jwe s VAL 25 Ca 0.18 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1jwe s VAL 25 Cb 0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 1jwe s VAL 25 CO -0.02 0.19 2.16 -0.81 0.00 0.00 0.00 175.10 176.62 1jwe n PRO 26 N 3.80 2.06 0.23 2.72 -0.04 -1.26 -4.84 135.00 137.66 1jwe n PRO 26 Ca -0.23 0.62 0.07 0.00 -0.04 0.00 0.00 63.50 63.92 1jwe n PRO 26 Cb 0.52 -3.11 0.54 0.00 -0.04 0.00 0.00 33.50 31.41 1jwe n PRO 26 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1jwe h PRO 27 N 13.82 0.00 -3.30 0.54 0.11 -1.99 -3.49 132.00 137.69 1jwe h PRO 27 Ca -0.42 0.00 0.36 0.00 0.11 0.00 0.00 66.00 66.05 1jwe h PRO 27 Cb 1.25 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 1jwe h PRO 27 CO 0.96 0.22 -0.94 0.72 -0.21 0.00 0.00 178.00 178.76 1jwe n HIS 28 N -3.93 -3.68 -2.74 0.65 8.25 -1.26 -4.92 115.22 107.59 1jwe n HIS 28 Ca -0.02 1.95 -0.02 0.00 -0.26 0.00 0.00 57.72 59.37 1jwe n HIS 28 Cb 0.31 -3.34 0.09 0.00 1.12 0.00 0.00 29.99 28.17 1jwe n HIS 28 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1jwe n SER 29 N -4.27 -0.17 -0.31 0.41 7.64 -1.26 -5.01 113.62 110.65 1jwe n SER 29 Ca -0.05 -2.16 -0.05 0.00 1.01 0.00 0.00 58.87 57.62 1jwe n SER 29 Cb 0.66 0.19 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 1jwe n SER 29 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jwe n ILE 30 N -1.09 -0.47 -0.18 0.44 2.08 -1.26 -0.31 119.36 118.56 1jwe n ILE 30 Ca -0.07 1.84 -0.10 0.00 0.56 0.00 0.00 62.75 64.98 1jwe n ILE 30 Cb 0.84 -2.34 0.01 0.00 -0.75 0.00 0.00 39.64 37.40 1jwe n ILE 30 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1jwe h GLU 31 N 0.00 0.98 -0.58 0.38 5.08 -1.98 0.29 114.58 118.74 1jwe h GLU 31 Ca 0.19 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1jwe h GLU 31 Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1jwe h GLU 31 CO -0.74 1.02 0.18 0.00 -1.00 0.00 0.00 179.01 178.46 1jwe h ALA 32 N 0.92 0.76 -0.28 3.43 0.00 -1.52 -1.29 119.26 121.28 1jwe h ALA 32 Ca 0.14 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1jwe h ALA 32 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jwe h ALA 32 CO 0.04 0.43 0.02 0.93 0.00 0.00 0.00 179.25 180.67 1jwe h GLU 33 N 0.82 0.10 -0.60 0.00 5.08 -0.30 0.93 114.58 120.61 1jwe h GLU 33 Ca 0.19 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.63 1jwe h GLU 33 Cb 0.29 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 1jwe h GLU 33 CO -0.00 0.07 0.22 1.96 -1.00 0.00 0.00 179.01 180.25 1jwe h GLN 34 N 0.11 0.38 0.00 2.33 4.20 -0.28 -1.88 115.11 119.97 1jwe h GLN 34 Ca 0.13 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1jwe h GLN 34 Cb 0.16 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1jwe h GLN 34 CO -0.21 0.25 -0.11 0.77 -0.67 0.00 0.00 178.83 178.86 1jwe h SER 35 N 0.39 0.00 0.16 1.46 0.02 -0.38 0.12 113.55 115.33 1jwe h SER 35 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1jwe h SER 35 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1jwe h SER 35 CO -0.31 0.11 -0.08 0.58 -1.14 0.00 0.00 176.83 175.99 1jwe h VAL 36 N 0.00 0.95 -0.82 2.27 2.07 -0.13 0.40 116.25 121.00 1jwe h VAL 36 Ca -0.00 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1jwe h VAL 36 Cb 0.85 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.91 1jwe h VAL 36 CO 0.01 0.14 0.41 -0.07 0.02 0.00 0.00 177.57 178.09 1jwe h LEU 37 N -0.52 1.06 0.01 2.57 3.38 -1.19 0.11 115.31 120.72 1jwe h LEU 37 Ca -0.02 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jwe h LEU 37 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1jwe h LEU 37 CO 0.04 0.88 -0.17 1.23 0.09 0.00 0.00 178.44 180.51 1jwe h GLY 38 N 1.16 -0.23 1.34 0.83 0.00 -0.80 -1.79 103.07 103.58 1jwe h GLY 38 Ca 0.28 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.83 1jwe h GLY 38 CO -0.04 -0.16 0.43 -1.33 0.00 0.00 0.00 176.54 175.44 1jwe h GLY 39 N -0.28 0.91 0.97 4.60 0.00 -0.06 -1.21 103.07 108.01 1jwe h GLY 39 Ca 0.05 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1jwe h GLY 39 CO -0.16 0.32 -0.17 1.41 0.00 0.00 0.00 176.54 177.94 1jwe h LEU 40 N 0.86 0.76 -1.51 3.11 3.38 -0.60 0.13 115.31 121.44 1jwe h LEU 40 Ca 0.24 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1jwe h LEU 40 Cb -0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jwe h LEU 40 CO -0.06 1.00 -0.13 0.24 0.09 0.00 0.00 178.44 179.59 1jwe h MET 41 N 0.52 0.16 0.24 1.13 2.86 -0.89 -2.67 114.93 116.28 1jwe h MET 41 Ca 0.08 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1jwe h MET 41 Cb 0.71 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1jwe h MET 41 CO 0.05 0.29 -0.12 -0.07 1.06 0.00 0.00 176.91 178.13 1jwe h LEU 42 N 0.15 -0.28 -6.53 1.22 3.38 -0.73 -3.40 115.31 109.13 1jwe h LEU 42 Ca 0.03 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 57.16 1jwe h LEU 42 Cb 0.32 0.07 -0.39 0.00 0.09 0.00 0.00 40.66 40.76 1jwe h LEU 42 CO 0.02 0.16 -0.89 -0.62 0.09 0.00 0.00 178.44 177.20 1jwe s ASP 43 N -5.24 2.23 0.62 -0.43 2.15 0.40 -5.01 116.67 111.38 1jwe s ASP 43 Ca -0.14 -3.08 0.33 0.00 0.43 0.00 0.00 52.55 50.09 1jwe s ASP 43 Cb 0.02 -0.65 1.86 0.00 -0.30 0.00 0.00 42.92 43.84 1jwe s ASP 43 CO 0.52 -0.18 2.16 -0.55 -0.17 0.00 0.00 175.17 176.96 1jwe h ASN 44 N 5.79 0.00 0.88 -0.34 7.08 -1.70 -0.75 115.58 126.53 1jwe h ASN 44 Ca 0.21 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 1jwe h ASN 44 Cb 0.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 1jwe h ASN 44 CO 0.42 0.00 0.00 -0.33 -2.08 0.00 0.00 177.43 175.44 1jwe h GLU 45 N 0.00 0.00 0.00 4.14 5.08 -1.95 -1.76 114.58 120.09 1jwe h GLU 45 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1jwe h GLU 45 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jwe h GLU 45 CO -0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1jwe n ARG 46 N -2.37 0.43 -0.20 2.33 5.12 -0.29 -3.04 116.66 118.64 1jwe n ARG 46 Ca 0.02 0.06 -0.04 0.00 -1.93 0.00 0.00 57.85 55.97 1jwe n ARG 46 Cb 0.27 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1jwe n ARG 46 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 1jwe h TRP 47 N 0.00 -0.72 -0.00 -1.55 2.91 -1.51 -0.23 115.95 114.85 1jwe h TRP 47 Ca 0.00 0.07 -0.06 0.00 1.13 0.00 0.00 58.89 60.02 1jwe h TRP 47 Cb 0.12 0.41 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 1jwe h TRP 47 CO 0.00 -0.35 -0.31 -0.44 -1.03 0.00 0.00 178.44 176.31 1jwe h ASP 48 N -0.12 0.00 0.11 2.65 5.19 -1.80 0.37 116.42 122.82 1jwe h ASP 48 Ca 0.26 -0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.46 1jwe h ASP 48 Cb 0.53 -0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.06 1jwe h ASP 48 CO -0.66 0.31 -0.88 -0.78 -3.12 0.00 0.00 179.24 174.10 1jwe h ASP 49 N 0.00 0.58 -0.30 6.45 3.58 -1.54 -2.43 116.42 122.76 1jwe h ASP 49 Ca -0.00 -0.88 -0.02 0.00 0.42 0.00 0.00 57.03 56.54 1jwe h ASP 49 Cb 0.54 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1jwe h ASP 49 CO 0.04 1.41 0.10 0.58 -2.88 0.00 0.00 179.24 178.49 1jwe h VAL 50 N -0.16 1.20 0.00 2.25 2.07 -0.96 -2.90 116.25 117.75 1jwe h VAL 50 Ca -0.14 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1jwe h VAL 50 Cb 1.65 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1jwe h VAL 50 CO 0.17 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1jwe h ALA 51 N 0.94 1.00 -0.08 1.67 0.00 -0.28 0.18 119.26 122.70 1jwe h ALA 51 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1jwe h ALA 51 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jwe h ALA 51 CO -0.00 0.00 -0.73 0.93 0.00 0.00 0.00 179.25 179.45 1jwe h GLU 52 N 0.00 0.40 0.15 0.00 4.39 -1.22 -3.33 114.58 114.96 1jwe h GLU 52 Ca 0.00 -0.33 -0.34 0.00 0.34 0.00 0.00 59.36 59.04 1jwe h GLU 52 Cb 0.24 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1jwe h GLU 52 CO 0.00 0.97 -1.72 0.00 -1.16 0.00 0.00 179.01 177.10 1jwe h ARG 53 N 0.27 0.31 -4.36 2.33 -0.00 -0.73 -3.49 114.38 108.71 1jwe h ARG 53 Ca -0.03 -0.53 -0.19 0.00 -0.50 0.00 0.00 59.98 58.73 1jwe h ARG 53 Cb 1.31 0.20 -0.14 0.00 0.00 0.00 0.00 29.97 31.33 1jwe h ARG 53 CO 0.12 1.20 -0.52 0.14 0.00 0.00 0.00 179.97 180.91 1jwe s VAL 54 N -2.59 0.02 0.30 2.04 -7.23 0.17 -4.69 120.40 108.42 1jwe s VAL 54 Ca -0.14 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.22 1jwe s VAL 54 Cb 0.06 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1jwe s VAL 54 CO 0.84 -0.11 0.16 0.68 -0.31 0.00 0.00 175.10 176.36 1jwe s VAL 55 N -4.10 0.29 0.38 1.32 -7.23 -1.26 -4.08 120.40 105.72 1jwe s VAL 55 Ca 0.32 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.61 1jwe s VAL 55 Cb 0.06 -2.51 0.34 0.00 0.56 0.00 0.00 36.38 34.83 1jwe s VAL 55 CO 0.09 0.00 1.85 0.00 -0.31 0.00 0.00 175.10 176.73 1jwe h ALA 56 N 2.24 1.98 0.00 1.32 0.00 -1.94 -1.90 119.26 120.96 1jwe h ALA 56 Ca -0.33 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jwe h ALA 56 Cb 1.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jwe h ALA 56 CO 0.51 -0.25 -0.15 0.22 0.00 0.00 0.00 179.25 179.58 1jwe h ASP 57 N 0.57 0.00 0.60 0.00 3.58 -1.97 -2.44 116.42 116.77 1jwe h ASP 57 Ca 0.47 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.87 1jwe h ASP 57 Cb 0.94 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.98 1jwe h ASP 57 CO -0.21 0.15 -0.25 0.44 -2.88 0.00 0.00 179.24 176.49 1jwe h ASP 58 N 0.00 0.00 -1.05 2.28 3.32 -1.75 -3.33 116.42 115.89 1jwe h ASP 58 Ca -0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1jwe h ASP 58 Cb 0.27 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 1jwe h ASP 58 CO 0.02 0.25 2.11 0.49 -1.72 0.00 0.00 179.24 180.38 1jwe n PHE 59 N -3.64 4.63 -0.33 4.55 3.01 -0.92 -4.57 117.46 120.20 1jwe n PHE 59 Ca -0.01 -2.94 0.27 0.00 1.01 0.00 0.00 57.45 55.78 1jwe n PHE 59 Cb 0.37 -2.54 0.59 0.00 -0.01 0.00 0.00 39.48 37.89 1jwe n PHE 59 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1jwe h TYR 60 N 7.37 0.46 -3.17 1.38 3.20 -1.83 -3.33 116.97 121.05 1jwe h TYR 60 Ca 0.43 0.02 -0.57 0.00 3.14 0.00 0.00 58.73 61.75 1jwe h TYR 60 Cb 0.85 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.95 1jwe h TYR 60 CO 1.37 0.02 1.07 0.99 -1.64 0.00 0.00 178.16 179.97 1jwe s THR 61 N -5.32 3.89 0.19 1.81 2.01 -1.26 -4.90 115.64 112.06 1jwe s THR 61 Ca -0.08 0.94 -0.23 0.00 0.31 0.00 0.00 61.69 62.63 1jwe s THR 61 Cb 0.25 -4.12 0.10 0.00 0.01 0.00 0.00 72.50 68.74 1jwe s THR 61 CO 0.80 -0.65 1.56 0.03 -0.69 0.00 0.00 174.62 175.67 1jwe h ARG 62 N 10.64 -0.11 -0.39 4.92 3.08 -1.99 0.11 114.38 130.65 1jwe h ARG 62 Ca -0.28 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1jwe h ARG 62 Cb 1.11 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.17 1jwe h ARG 62 CO 1.07 -0.07 0.03 -1.00 -1.07 0.00 0.00 179.97 178.93 1jwe h PRO 63 N -0.11 0.60 -0.51 0.04 0.13 -1.88 -0.71 132.00 129.56 1jwe h PRO 63 Ca 0.24 -0.13 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 1jwe h PRO 63 Cb 0.55 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1jwe h PRO 63 CO -0.83 0.60 -0.11 0.45 -0.23 0.00 0.00 178.00 177.88 1jwe h HIS 64 N 0.58 1.09 0.02 1.56 3.86 -1.37 -1.51 115.15 119.37 1jwe h HIS 64 Ca 0.12 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1jwe h HIS 64 Cb 0.32 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1jwe h HIS 64 CO 0.01 1.03 -0.01 -0.09 0.86 0.00 0.00 177.93 179.74 1jwe h ARG 65 N 0.83 -0.02 -0.01 2.45 2.43 -0.40 0.03 114.38 119.69 1jwe h ARG 65 Ca 0.13 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1jwe h ARG 65 Cb 0.68 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 1jwe h ARG 65 CO 0.05 0.03 -0.54 0.45 -1.51 0.00 0.00 179.97 178.46 1jwe h HIS 66 N -0.07 -1.58 0.09 2.20 3.86 -1.10 -0.01 115.15 118.54 1jwe h HIS 66 Ca -0.00 0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1jwe h HIS 66 Cb 0.06 0.69 -0.03 0.00 1.06 0.00 0.00 27.41 29.19 1jwe h HIS 66 CO -0.06 -0.57 -0.21 0.82 0.86 0.00 0.00 177.93 178.77 1jwe h ILE 67 N -0.67 0.53 -0.74 2.45 2.04 -1.08 -0.99 117.51 119.06 1jwe h ILE 67 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1jwe h ILE 67 Cb 0.72 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1jwe h ILE 67 CO -0.37 0.00 0.47 0.15 0.00 0.00 0.00 178.15 178.40 1jwe h PHE 68 N -0.38 0.95 -0.40 1.37 3.04 -0.88 0.17 116.94 120.81 1jwe h PHE 68 Ca 0.03 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1jwe h PHE 68 Cb 0.41 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 1jwe h PHE 68 CO -0.20 0.61 -0.12 1.15 -2.02 0.00 0.00 178.31 177.73 1jwe h THR 69 N 1.01 1.25 0.24 4.41 2.02 -0.44 0.12 112.91 121.53 1jwe h THR 69 Ca 0.27 -1.15 -0.33 0.00 0.77 0.00 0.00 66.41 65.97 1jwe h THR 69 Cb -0.08 1.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1jwe h THR 69 CO -0.05 0.39 -1.44 -0.08 0.37 0.00 0.00 175.52 174.70 1jwe h GLU 70 N 0.64 0.50 -0.31 6.66 4.22 -0.14 -1.50 114.58 124.66 1jwe h GLU 70 Ca 0.11 -0.86 0.06 0.00 0.08 0.00 0.00 59.36 58.75 1jwe h GLU 70 Cb 0.58 0.32 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1jwe h GLU 70 CO 0.04 1.41 -0.03 0.52 -2.18 0.00 0.00 179.01 178.77 1jwe h MET 71 N 0.14 0.05 -0.05 1.92 2.86 -0.70 0.49 114.93 119.65 1jwe h MET 71 Ca -0.24 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1jwe h MET 71 Cb 2.14 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.75 1jwe h MET 71 CO 0.27 0.03 -0.14 0.00 1.06 0.00 0.00 176.91 178.13 1jwe h ALA 72 N 1.28 -0.13 -0.77 6.32 0.00 -0.91 0.38 119.26 125.44 1jwe h ALA 72 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1jwe h ALA 72 Cb 0.21 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1jwe h ALA 72 CO -0.28 -0.62 0.47 0.00 0.00 0.00 0.00 179.25 178.83 1jwe h ARG 73 N -0.21 0.86 0.27 0.00 3.08 -0.82 0.60 114.38 118.16 1jwe h ARG 73 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1jwe h ARG 73 Cb 0.30 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jwe h ARG 73 CO -0.17 0.57 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.10 1jwe h LEU 74 N 0.89 -0.31 -0.79 3.04 3.38 -0.50 -1.61 115.31 119.40 1jwe h LEU 74 Ca 0.32 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1jwe h LEU 74 Cb 0.10 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1jwe h LEU 74 CO -0.15 -0.05 0.50 -0.61 0.09 0.00 0.00 178.44 178.22 1jwe h GLN 75 N -0.56 0.92 -0.67 1.13 5.75 -0.72 0.60 115.11 121.56 1jwe h GLN 75 Ca -0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1jwe h GLN 75 Cb 0.41 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1jwe h GLN 75 CO 0.06 0.61 0.36 1.49 -2.65 0.00 0.00 178.83 178.69 1jwe h GLU 76 N 0.94 0.94 -0.27 1.69 4.57 -0.82 0.25 114.58 121.89 1jwe h GLU 76 Ca 0.33 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1jwe h GLU 76 Cb 0.07 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1jwe h GLU 76 CO -0.14 0.70 0.00 0.43 -1.18 0.00 0.00 179.01 178.82 1jwe n SER 77 N -4.36 1.42 -1.53 1.04 7.64 -0.45 -4.91 113.62 112.47 1jwe n SER 77 Ca 0.07 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.85 1jwe n SER 77 Cb 0.11 -0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1jwe n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jwe n GLY 78 N 0.92 0.23 3.52 0.23 0.00 0.08 -5.04 105.19 105.13 1jwe n GLY 78 Ca 0.09 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1jwe n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jwe s SER 79 N -2.97 4.24 0.60 1.61 0.01 0.04 -4.99 113.70 112.24 1jwe s SER 79 Ca 0.17 -0.22 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 1jwe s SER 79 Cb -0.07 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1jwe s SER 79 CO 0.21 0.30 1.16 -2.16 0.41 0.00 0.00 173.24 173.16 1jwe s PRO 80 N -1.15 3.02 -0.26 12.44 0.04 -1.26 -3.20 135.00 144.63 1jwe s PRO 80 Ca 0.14 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.92 1jwe s PRO 80 Cb -0.11 -1.95 0.55 0.00 0.04 0.00 0.00 34.50 33.03 1jwe s PRO 80 CO 0.04 -1.13 1.56 0.44 0.04 0.00 0.00 177.00 177.96 1jwe n ILE 81 N -1.70 2.36 -1.82 0.56 -5.35 -1.26 -4.54 119.36 107.61 1jwe n ILE 81 Ca 0.12 -1.24 -0.36 0.00 -0.27 0.00 0.00 62.75 61.00 1jwe n ILE 81 Cb 0.51 -0.48 0.05 0.00 -1.74 0.00 0.00 39.64 37.98 1jwe n ILE 81 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jwe s ASP 82 N -0.64 4.83 0.15 7.28 -1.08 -1.26 -4.01 116.67 121.94 1jwe s ASP 82 Ca 0.42 2.44 -0.27 0.00 -0.52 0.00 0.00 52.55 54.62 1jwe s ASP 82 Cb 0.33 -2.60 -0.01 0.00 -1.46 0.00 0.00 42.92 39.19 1jwe s ASP 82 CO 0.10 -1.84 1.58 0.25 0.52 0.00 0.00 175.17 175.79 1jwe h LEU 83 N 0.54 -1.30 -0.81 -1.34 7.12 -1.93 -0.26 115.31 117.34 1jwe h LEU 83 Ca -0.50 0.20 -0.06 0.00 0.13 0.00 0.00 57.88 57.65 1jwe h LEU 83 Cb 1.31 0.56 -0.03 0.00 -0.53 0.00 0.00 40.66 41.97 1jwe h LEU 83 CO 0.53 -0.37 0.20 0.40 -0.13 0.00 0.00 178.44 179.07 1jwe h ILE 84 N -0.36 1.26 0.32 4.05 5.03 -1.98 -0.61 117.51 125.22 1jwe h ILE 84 Ca 0.12 -0.91 -0.01 0.00 -0.12 0.00 0.00 64.86 63.94 1jwe h ILE 84 Cb 0.58 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 34.88 1jwe h ILE 84 CO -0.50 0.35 -0.19 0.74 -0.68 0.00 0.00 178.15 177.87 1jwe h THR 85 N 1.04 0.60 0.05 -0.27 2.02 -1.52 -2.07 112.91 112.76 1jwe h THR 85 Ca 0.22 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.42 1jwe h THR 85 Cb 0.32 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1jwe h THR 85 CO -0.00 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.98 1jwe h LEU 86 N -0.49 -0.44 0.19 2.58 5.85 -0.88 -0.46 115.31 121.66 1jwe h LEU 86 Ca -0.03 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jwe h LEU 86 Cb 0.40 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1jwe h LEU 86 CO 0.04 -0.22 -0.22 0.00 -0.34 0.00 0.00 178.44 177.70 1jwe h ALA 87 N 0.61 -0.42 0.00 1.25 0.00 -1.03 0.15 119.26 119.81 1jwe h ALA 87 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jwe h ALA 87 Cb 0.32 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jwe h ALA 87 CO -0.12 -0.77 -0.20 0.93 0.00 0.00 0.00 179.25 179.09 1jwe h GLU 88 N -0.45 0.00 -0.09 0.00 5.08 -1.30 -0.75 114.58 117.06 1jwe h GLU 88 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1jwe h GLU 88 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1jwe h GLU 88 CO -0.07 0.20 -0.30 1.03 -1.00 0.00 0.00 179.01 178.88 1jwe h SER 89 N 0.00 0.42 -0.08 1.42 0.87 -0.37 -2.26 113.55 113.56 1jwe h SER 89 Ca -0.00 -0.61 -0.00 0.00 -1.23 0.00 0.00 61.79 59.95 1jwe h SER 89 Cb 0.45 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1jwe h SER 89 CO 0.03 0.96 0.05 -0.07 -0.53 0.00 0.00 176.83 177.26 1jwe h LEU 90 N -0.09 0.10 -0.63 2.23 3.38 -0.38 -0.64 115.31 119.27 1jwe h LEU 90 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1jwe h LEU 90 Cb 0.92 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1jwe h LEU 90 CO 0.06 0.08 0.02 -0.33 0.09 0.00 0.00 178.44 178.36 1jwe h GLU 91 N 0.11 1.09 -0.29 1.13 5.08 -1.00 0.17 114.58 120.87 1jwe h GLU 91 Ca 0.03 -0.34 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1jwe h GLU 91 Cb -0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1jwe h GLU 91 CO -0.01 1.05 0.06 0.00 -1.00 0.00 0.00 179.01 179.11 1jwe h ARG 92 N 1.00 0.42 0.00 2.33 3.08 -0.58 -0.58 114.38 120.06 1jwe h ARG 92 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1jwe h ARG 92 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1jwe h ARG 92 CO 0.03 0.40 0.00 1.96 -1.07 0.00 0.00 179.97 181.29 1jwe h GLN 93 N 0.42 0.00 -0.77 0.04 1.08 -0.79 -3.47 115.11 111.62 1jwe h GLN 93 Ca 0.10 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.10 1jwe h GLN 93 Cb 0.18 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1jwe h GLN 93 CO -0.00 0.00 -0.21 0.41 -0.95 0.00 0.00 178.83 178.08 1jwe n GLY 94 N 0.46 0.76 0.02 3.46 0.00 -0.13 -4.92 105.19 104.83 1jwe n GLY 94 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1jwe n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jwe n GLN 95 N -2.46 0.58 -0.03 1.61 6.02 0.40 -4.77 117.38 118.72 1jwe n GLN 95 Ca -0.10 -0.43 -0.08 0.00 -0.01 0.00 0.00 57.00 56.38 1jwe n GLN 95 Cb 0.41 -0.92 -0.02 0.00 1.02 0.00 0.00 30.24 30.73 1jwe n GLN 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jwe h LEU 96 N 0.08 -0.46 -1.26 1.08 5.85 -1.80 -1.45 115.31 117.36 1jwe h LEU 96 Ca 0.00 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1jwe h LEU 96 Cb 0.02 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1jwe h LEU 96 CO 0.00 -0.18 -0.36 -0.78 -0.34 0.00 0.00 178.44 176.78 1jwe h ASP 97 N -0.14 0.00 0.30 1.25 1.82 -1.90 -0.77 116.42 116.97 1jwe h ASP 97 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1jwe h ASP 97 Cb 0.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1jwe h ASP 97 CO -0.29 0.36 0.00 -0.24 -1.61 0.00 0.00 179.24 177.46 1jwe n SER 98 N -3.92 0.00 -0.77 2.28 2.88 -0.59 -1.28 113.62 112.22 1jwe n SER 98 Ca -0.02 0.27 0.11 0.00 -1.33 0.00 0.00 58.87 57.90 1jwe n SER 98 Cb 0.42 -0.37 0.06 0.00 -0.75 0.00 0.00 64.21 63.57 1jwe n SER 98 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1jwe n VAL 99 N -1.37 0.00 0.00 2.46 0.24 -0.56 -4.58 118.33 114.52 1jwe n VAL 99 Ca 0.05 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1jwe n VAL 99 Cb 0.11 1.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1jwe n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jwe n GLY 100 N 1.28 0.84 0.00 7.63 0.00 -0.40 -4.84 105.19 109.71 1jwe n GLY 100 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1jwe n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jwe n GLY 101 N -0.99 -1.12 0.35 -0.02 0.00 -0.41 -3.68 105.19 99.32 1jwe n GLY 101 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1jwe n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jwe h PHE 102 N 0.00 1.13 -0.84 1.61 3.04 -1.96 -2.58 116.94 117.34 1jwe h PHE 102 Ca 0.00 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.07 1jwe h PHE 102 Cb 0.00 -0.38 -0.07 0.00 2.56 0.00 0.00 35.95 38.06 1jwe h PHE 102 CO 0.00 0.66 0.49 0.00 -2.02 0.00 0.00 178.31 177.44 1jwe h ALA 103 N 1.38 1.19 -0.07 2.41 0.00 -1.99 0.25 119.26 122.43 1jwe h ALA 103 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1jwe h ALA 103 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jwe h ALA 103 CO -0.11 0.14 0.02 -0.92 0.00 0.00 0.00 179.25 178.37 1jwe h TYR 104 N 0.83 0.11 -0.71 0.00 3.20 -1.54 -2.04 116.97 116.83 1jwe h TYR 104 Ca 0.40 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.27 1jwe h TYR 104 Cb 0.33 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1jwe h TYR 104 CO -0.05 0.28 0.47 -0.07 -1.64 0.00 0.00 178.16 177.15 1jwe h LEU 105 N -0.09 0.79 -0.96 2.82 3.38 -1.03 0.37 115.31 120.60 1jwe h LEU 105 Ca 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1jwe h LEU 105 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jwe h LEU 105 CO -0.00 0.56 -0.02 0.00 0.09 0.00 0.00 178.44 179.07 1jwe h ALA 106 N 1.57 1.13 -0.10 1.53 0.00 -0.34 -0.54 119.26 122.51 1jwe h ALA 106 Ca 0.27 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jwe h ALA 106 Cb -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1jwe h ALA 106 CO -0.06 0.55 -0.26 1.49 0.00 0.00 0.00 179.25 180.97 1jwe h GLU 107 N 0.69 0.35 -0.17 0.00 4.81 -0.61 -3.29 114.58 116.36 1jwe h GLU 107 Ca 0.13 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1jwe h GLU 107 Cb 0.45 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1jwe h GLU 107 CO 0.02 0.86 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.77 1jwe h LEU 108 N -0.11 -0.99 -0.92 1.64 3.38 -0.72 -1.16 115.31 116.44 1jwe h LEU 108 Ca -0.01 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1jwe h LEU 108 Cb 0.87 0.43 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1jwe h LEU 108 CO 0.06 -0.35 0.00 -0.24 0.09 0.00 0.00 178.44 178.00 1jwe n SER 109 N -5.41 0.42 -0.03 -0.43 2.88 -0.23 -1.55 113.62 109.27 1jwe n SER 109 Ca -0.03 0.67 0.01 0.00 -1.33 0.00 0.00 58.87 58.20 1jwe n SER 109 Cb 0.32 -0.74 0.01 0.00 -0.75 0.00 0.00 64.21 63.06 1jwe n SER 109 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jwe n LYS 110 N -2.05 1.64 0.00 -1.46 4.01 -0.95 -4.60 118.16 114.75 1jwe n LYS 110 Ca -0.00 -1.21 0.15 0.00 -0.51 0.00 0.00 58.31 56.74 1jwe n LYS 110 Cb 0.07 -0.84 0.78 0.00 -0.51 0.00 0.00 35.03 34.53 1jwe n LYS 110 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1jwe n ASN 111 N -0.37 0.52 -4.62 4.39 0.23 -0.48 -4.84 115.26 110.08 1jwe n ASN 111 Ca 0.01 -1.11 -0.34 0.00 -0.53 0.00 0.00 54.58 52.61 1jwe n ASN 111 Cb 0.39 -0.01 -0.10 0.00 -2.08 0.00 0.00 39.78 37.98 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jwe s THR 112 N -2.05 4.13 -1.19 5.53 2.01 -1.26 -4.93 115.64 117.88 1jwe s THR 112 Ca 0.43 -0.31 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 1jwe s THR 112 Cb 0.21 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1jwe s THR 112 CO 0.37 0.58 1.89 -0.81 -0.69 0.00 0.00 174.62 175.95 1jwe n PRO 113 N 2.50 2.19 0.00 4.92 -0.04 -1.26 -4.85 135.00 138.46 1jwe n PRO 113 Ca -0.18 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 1jwe n PRO 113 Cb 0.53 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 1jwe n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jwe n SER 114 N 11.12 0.00 -1.13 3.54 7.64 -1.26 -0.75 113.62 132.79 1jwe n SER 114 Ca 0.47 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.38 1jwe n SER 114 Cb 0.45 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.68 1jwe n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jwe n ALA 115 N 6.52 2.31 -0.28 -0.43 0.00 -1.26 -4.65 120.51 122.72 1jwe n ALA 115 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 53.44 51.32 1jwe n ALA 115 Cb 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 1jwe n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwe h ALA 116 N 0.68 -0.65 -0.76 0.00 0.00 -1.34 -3.29 119.26 113.90 1jwe h ALA 116 Ca -0.15 0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 1jwe h ALA 116 Cb 1.69 1.24 -0.34 0.00 0.00 0.00 0.00 17.79 20.38 1jwe h ALA 116 CO 0.06 -1.00 -1.00 0.09 0.00 0.00 0.00 179.25 177.40 1jwe n ASN 117 N -5.32 0.68 -0.21 0.00 5.03 -1.26 -4.99 115.26 109.19 1jwe n ASN 117 Ca -0.01 -2.63 -0.02 0.00 0.87 0.00 0.00 54.58 52.79 1jwe n ASN 117 Cb 0.30 -0.18 0.09 0.00 -1.02 0.00 0.00 39.78 38.97 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1jwe h ILE 118 N 2.86 0.94 -0.89 2.41 2.10 -1.95 -0.71 117.51 122.28 1jwe h ILE 118 Ca -0.14 -0.21 0.15 0.00 1.08 0.00 0.00 64.86 65.74 1jwe h ILE 118 Cb 1.21 0.28 -0.10 0.00 -1.09 0.00 0.00 36.82 37.12 1jwe h ILE 118 CO 0.36 0.11 0.48 -1.28 -1.08 0.00 0.00 178.15 176.75 1jwe h SER 119 N 0.61 0.60 0.77 2.19 0.87 -1.93 0.86 113.55 117.52 1jwe h SER 119 Ca 0.28 0.09 -0.15 0.00 -1.23 0.00 0.00 61.79 60.78 1jwe h SER 119 Cb 0.20 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1jwe h SER 119 CO -0.19 0.25 -0.71 0.00 -0.53 0.00 0.00 176.83 175.65 1jwe h ALA 120 N 1.58 0.79 -0.30 6.23 0.00 -1.59 -0.41 119.26 125.55 1jwe h ALA 120 Ca 0.49 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1jwe h ALA 120 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jwe h ALA 120 CO -0.36 0.89 0.02 1.88 0.00 0.00 0.00 179.25 181.67 1jwe h TYR 121 N 0.00 0.57 -0.40 0.00 0.05 -0.01 -2.83 116.97 114.34 1jwe h TYR 121 Ca -0.01 -0.09 0.01 0.00 0.05 0.00 0.00 58.73 58.69 1jwe h TYR 121 Cb 1.29 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 1jwe h TYR 121 CO 0.00 0.64 0.27 0.00 -1.05 0.00 0.00 178.16 178.02 1jwe h ALA 122 N 0.85 1.73 -0.17 3.88 0.00 -0.64 -1.20 119.26 123.72 1jwe h ALA 122 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jwe h ALA 122 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jwe h ALA 122 CO 0.01 0.24 -0.20 0.22 0.00 0.00 0.00 179.25 179.53 1jwe h ASP 123 N 0.53 0.28 0.32 0.00 3.58 -1.00 0.15 116.42 120.27 1jwe h ASP 123 Ca 0.15 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1jwe h ASP 123 Cb -0.03 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1jwe h ASP 123 CO -0.03 0.49 -0.15 0.40 -2.88 0.00 0.00 179.24 177.06 1jwe h ILE 124 N 0.26 0.71 -0.39 2.25 2.04 -1.00 -1.79 117.51 119.60 1jwe h ILE 124 Ca 0.05 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1jwe h ILE 124 Cb 0.50 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 1jwe h ILE 124 CO 0.03 0.07 0.04 0.58 0.00 0.00 0.00 178.15 178.87 1jwe h VAL 125 N -0.62 0.76 -0.16 1.67 2.07 -0.83 -1.08 116.25 118.06 1jwe h VAL 125 Ca -0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1jwe h VAL 125 Cb 0.45 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 1jwe h VAL 125 CO 0.07 0.03 -0.25 -0.09 0.02 0.00 0.00 177.57 177.35 1jwe h ARG 126 N 0.15 -0.29 -0.21 1.57 2.43 -0.76 -2.00 114.38 115.27 1jwe h ARG 126 Ca 0.19 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1jwe h ARG 126 Cb 0.24 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1jwe h ARG 126 CO -0.28 -0.20 -0.02 1.49 -1.51 0.00 0.00 179.97 179.45 1jwe h GLU 127 N -0.30 0.32 -0.72 0.20 4.81 -0.35 0.24 114.58 118.77 1jwe h GLU 127 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1jwe h GLU 127 Cb 0.47 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1jwe h GLU 127 CO -0.34 0.36 0.45 0.00 -0.73 0.00 0.00 179.01 178.76 1jwe h ARG 128 N 0.31 0.96 -0.05 1.92 2.47 -0.67 0.60 114.38 119.93 1jwe h ARG 128 Ca 0.07 -0.08 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1jwe h ARG 128 Cb 0.25 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1jwe h ARG 128 CO 0.01 0.67 -0.44 0.00 0.56 0.00 0.00 179.97 180.77 1jwe h ALA 129 N 1.24 1.18 -0.07 0.04 0.00 -0.30 0.07 119.26 121.43 1jwe h ALA 129 Ca 0.26 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jwe h ALA 129 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jwe h ALA 129 CO -0.05 0.58 0.04 0.28 0.00 0.00 0.00 179.25 180.09 1jwe h VAL 130 N 0.09 1.09 0.00 0.00 2.07 -0.27 -1.31 116.25 117.92 1jwe h VAL 130 Ca 0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1jwe h VAL 130 Cb 0.81 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1jwe h VAL 130 CO 0.06 0.08 -0.16 0.58 0.02 0.00 0.00 177.57 178.15 1jwe h VAL 131 N 0.01 0.87 -0.52 2.57 2.07 -0.66 0.28 116.25 120.87 1jwe h VAL 131 Ca 0.02 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1jwe h VAL 131 Cb 0.09 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1jwe h VAL 131 CO -0.00 0.15 0.01 -0.09 0.02 0.00 0.00 177.57 177.66 1jwe h ARG 132 N 0.00 0.92 0.04 1.57 9.65 -0.14 -1.76 114.38 124.66 1jwe h ARG 132 Ca -0.00 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 1jwe h ARG 132 Cb 0.33 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1jwe h ARG 132 CO 0.02 0.94 -0.02 1.05 2.80 0.00 0.00 179.97 184.76 1jwe h GLU 133 N 0.79 -0.06 -2.49 0.20 4.11 -0.92 -3.35 114.58 112.86 1jwe h GLU 133 Ca 0.15 0.00 -0.47 0.00 0.07 0.00 0.00 59.36 59.11 1jwe h GLU 133 Cb 0.52 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1jwe h GLU 133 CO 0.03 0.59 1.78 -1.33 0.07 0.00 0.00 179.01 180.15 1jwe n MET 134 N -4.75 3.00 -1.39 1.06 2.81 0.96 -4.93 117.12 113.88 1jwe n MET 134 Ca -0.08 -1.83 -0.53 0.00 -1.81 0.00 0.00 57.70 53.45 1jwe n MET 134 Cb 0.33 -2.42 -0.09 0.00 -0.71 0.00 0.00 33.22 30.33 1jwe n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1jwe n ILE 135 N 2.80 0.12 0.45 2.02 2.08 -0.66 -4.59 119.36 121.58 1jwe n ILE 135 Ca 0.61 -0.18 0.05 0.00 0.56 0.00 0.00 62.75 63.79 1jwe n ILE 135 Cb 0.53 -1.29 0.04 0.00 -0.75 0.00 0.00 39.64 38.18 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57