#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwe n LYS 24 N 0.00 0.77 -1.72 2.12 4.81 -1.26 -5.10 118.16 117.78 1jwe n LYS 24 Ca 0.00 -2.10 -0.42 0.00 -0.87 0.00 0.00 58.31 54.92 1jwe n LYS 24 Cb 0.00 1.09 -0.03 0.00 0.02 0.00 0.00 35.03 36.11 1jwe n LYS 24 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1jwe n VAL 25 N -0.57 0.40 -1.12 3.15 3.14 -1.26 -4.96 118.33 117.11 1jwe n VAL 25 Ca -0.04 -0.10 -0.30 0.00 -2.96 0.00 0.00 64.34 60.94 1jwe n VAL 25 Cb 0.37 -1.91 0.13 0.00 -1.06 0.00 0.00 33.84 31.37 1jwe n VAL 25 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1jwe s PRO 26 N 0.50 1.42 0.00 1.45 0.04 -1.26 -4.89 135.00 132.26 1jwe s PRO 26 Ca 0.71 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1jwe s PRO 26 Cb -0.53 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1jwe s PRO 26 CO 0.39 -2.18 0.57 -0.35 0.04 0.00 0.00 177.00 175.47 1jwe n PRO 27 N -3.87 0.70 -1.93 0.56 -0.04 -1.26 -4.84 135.00 124.31 1jwe n PRO 27 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1jwe n PRO 27 Cb 0.54 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 1jwe n PRO 27 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1jwe s HIS 28 N -1.63 2.62 -1.42 0.54 -3.43 -1.26 -4.92 115.29 105.80 1jwe s HIS 28 Ca 0.00 0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 54.56 1jwe s HIS 28 Cb 0.00 -3.95 0.07 0.00 -1.43 0.00 0.00 32.58 27.27 1jwe s HIS 28 CO 0.00 -3.72 2.19 0.43 -2.00 0.00 0.00 174.74 171.64 1jwe n SER 29 N 5.09 4.75 -0.15 7.38 7.64 -1.26 -4.82 113.62 132.25 1jwe n SER 29 Ca 0.15 -2.91 -0.04 0.00 1.01 0.00 0.00 58.87 57.08 1jwe n SER 29 Cb 0.40 -1.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.04 1jwe n SER 29 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jwe h ILE 30 N 3.79 0.43 -0.21 0.44 1.08 -1.96 0.53 117.51 121.62 1jwe h ILE 30 Ca 0.55 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.94 1jwe h ILE 30 Cb 0.60 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 1jwe h ILE 30 CO 1.79 0.00 -0.22 -0.33 -0.69 0.00 0.00 178.15 178.70 1jwe h GLU 31 N -0.06 0.38 -0.50 2.37 5.08 -1.99 -0.14 114.58 119.72 1jwe h GLU 31 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1jwe h GLU 31 Cb 0.41 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1jwe h GLU 31 CO -0.53 0.58 0.23 0.00 -1.00 0.00 0.00 179.01 178.30 1jwe h ALA 32 N 1.43 0.65 -0.54 3.43 0.00 -1.62 -0.58 119.26 122.02 1jwe h ALA 32 Ca 0.06 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jwe h ALA 32 Cb 0.58 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1jwe h ALA 32 CO 0.04 0.22 0.26 0.93 0.00 0.00 0.00 179.25 180.70 1jwe h GLU 33 N 0.67 0.47 0.08 0.00 5.08 -0.54 0.94 114.58 121.28 1jwe h GLU 33 Ca 0.17 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1jwe h GLU 33 Cb 0.14 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1jwe h GLU 33 CO -0.02 0.31 -0.22 1.96 -1.00 0.00 0.00 179.01 180.05 1jwe h GLN 34 N 0.49 -0.38 0.00 2.33 4.20 -0.71 -2.20 115.11 118.85 1jwe h GLN 34 Ca 0.25 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.92 1jwe h GLN 34 Cb 0.20 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1jwe h GLN 34 CO -0.20 -0.25 -0.32 0.77 -0.67 0.00 0.00 178.83 178.17 1jwe h SER 35 N -0.39 0.00 0.47 1.46 0.02 -0.61 0.14 113.55 114.63 1jwe h SER 35 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1jwe h SER 35 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jwe h SER 35 CO -0.15 0.32 -0.23 0.58 -1.14 0.00 0.00 176.83 176.22 1jwe h VAL 36 N 0.00 0.30 -0.01 2.27 2.07 -0.70 0.16 116.25 120.34 1jwe h VAL 36 Ca -0.00 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1jwe h VAL 36 Cb 0.76 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1jwe h VAL 36 CO 0.04 0.06 -0.30 -0.07 0.02 0.00 0.00 177.57 177.32 1jwe h LEU 37 N -1.03 0.02 -0.30 2.57 3.38 -1.28 -0.01 115.31 118.65 1jwe h LEU 37 Ca -0.06 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1jwe h LEU 37 Cb 0.58 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jwe h LEU 37 CO 0.11 0.32 -0.11 1.23 0.09 0.00 0.00 178.44 180.07 1jwe h GLY 38 N 0.91 0.66 0.16 0.83 0.00 -0.80 -3.13 103.07 101.69 1jwe h GLY 38 Ca 0.00 -0.57 0.17 0.00 0.00 0.00 0.00 47.33 46.93 1jwe h GLY 38 CO 0.04 0.52 0.50 -1.33 0.00 0.00 0.00 176.54 176.27 1jwe h GLY 39 N 0.37 1.55 1.86 4.60 0.00 0.81 -1.52 103.07 110.74 1jwe h GLY 39 Ca 0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1jwe h GLY 39 CO 0.04 -0.06 -0.24 1.41 0.00 0.00 0.00 176.54 177.69 1jwe h LEU 40 N 0.66 0.17 -2.13 3.11 3.38 -1.01 0.95 115.31 120.43 1jwe h LEU 40 Ca 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.42 1jwe h LEU 40 Cb 0.77 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1jwe h LEU 40 CO -0.38 0.41 -0.07 0.24 0.09 0.00 0.00 178.44 178.73 1jwe h MET 41 N 0.16 0.00 0.00 1.13 2.86 -1.29 -3.01 114.93 114.78 1jwe h MET 41 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1jwe h MET 41 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1jwe h MET 41 CO 0.04 0.07 -1.19 -0.11 1.06 0.00 0.00 176.91 176.78 1jwe n LEU 42 N -3.81 0.66 -3.15 1.22 0.00 0.12 -4.63 117.00 107.41 1jwe n LEU 42 Ca -0.02 -0.36 0.04 0.00 0.00 0.00 0.00 56.01 55.66 1jwe n LEU 42 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.59 1jwe n LEU 42 CO 0.30 0.17 0.14 -0.62 0.00 0.00 0.00 177.39 177.37 1jwe s ASP 43 N -3.23 -1.51 0.37 1.96 -1.08 -0.02 -4.88 116.67 108.28 1jwe s ASP 43 Ca 0.03 0.18 0.14 0.00 -0.52 0.00 0.00 52.55 52.39 1jwe s ASP 43 Cb 0.14 1.96 0.74 0.00 -1.46 0.00 0.00 42.92 44.30 1jwe s ASP 43 CO 0.80 -0.28 1.81 0.78 0.52 0.00 0.00 175.17 178.81 1jwe h ASN 44 N 7.92 0.00 0.77 -0.34 -0.26 -1.83 -3.11 115.58 118.74 1jwe h ASN 44 Ca -0.02 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1jwe h ASN 44 Cb 1.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1jwe h ASN 44 CO 0.13 0.38 -0.13 -0.08 -1.06 0.00 0.00 177.43 176.66 1jwe h GLU 45 N 0.00 0.00 0.00 0.81 4.22 -1.97 -1.50 114.58 116.14 1jwe h GLU 45 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1jwe h GLU 45 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jwe h GLU 45 CO 0.05 0.13 0.00 0.54 -2.18 0.00 0.00 179.01 177.55 1jwe n ARG 46 N -3.36 0.47 -0.11 1.92 5.12 -1.17 -3.32 116.66 116.21 1jwe n ARG 46 Ca -0.00 0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.89 1jwe n ARG 46 Cb 0.34 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.13 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 -0.81 0.00 -1.55 2.91 -1.46 -0.10 115.95 114.93 1jwe h TRP 47 Ca 0.00 0.05 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1jwe h TRP 47 Cb 0.10 0.41 -0.00 0.00 -0.51 0.00 0.00 29.16 29.16 1jwe h TRP 47 CO 0.00 -0.36 -0.13 -0.44 -1.03 0.00 0.00 178.44 176.48 1jwe h ASP 48 N -0.24 0.00 0.01 2.65 5.19 -1.80 0.14 116.42 122.37 1jwe h ASP 48 Ca 0.17 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.57 1jwe h ASP 48 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1jwe h ASP 48 CO -0.51 0.13 -0.07 -0.78 -3.12 0.00 0.00 179.24 174.88 1jwe h ASP 49 N 0.00 0.05 -0.30 6.45 3.58 -1.34 -2.32 116.42 122.55 1jwe h ASP 49 Ca -0.00 -0.88 -0.02 0.00 0.42 0.00 0.00 57.03 56.55 1jwe h ASP 49 Cb 0.33 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1jwe h ASP 49 CO 0.02 0.93 0.09 0.58 -2.88 0.00 0.00 179.24 177.97 1jwe h VAL 50 N -0.81 1.20 0.00 2.25 2.07 -0.95 -2.20 116.25 117.82 1jwe h VAL 50 Ca -0.01 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1jwe h VAL 50 Cb 0.94 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1jwe h VAL 50 CO 0.01 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1jwe n ALA 51 N -2.30 1.41 0.64 1.67 0.00 0.46 -0.45 120.51 121.95 1jwe n ALA 51 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1jwe n ALA 51 Cb 0.17 -1.27 0.21 0.00 0.00 0.00 0.00 19.45 18.56 1jwe n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jwe n GLU 52 N -1.94 2.36 -0.08 0.00 1.02 -0.87 -4.33 120.64 116.79 1jwe n GLU 52 Ca 0.01 -2.03 -0.11 0.00 -0.02 0.00 0.00 57.16 55.02 1jwe n GLU 52 Cb 0.13 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.99 1jwe n GLU 52 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jwe n ARG 53 N 1.30 0.48 -4.20 3.49 3.00 0.41 -5.04 116.66 116.10 1jwe n ARG 53 Ca 0.18 0.08 -0.14 0.00 -0.01 0.00 0.00 57.85 57.96 1jwe n ARG 53 Cb 0.57 -1.31 -0.08 0.00 0.00 0.00 0.00 32.46 31.63 1jwe n ARG 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1jwe s VAL 54 N -2.31 0.00 0.45 1.55 -7.23 0.18 -4.62 120.40 108.42 1jwe s VAL 54 Ca -0.20 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1jwe s VAL 54 Cb 0.05 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1jwe s VAL 54 CO 0.37 0.00 0.02 0.68 -0.31 0.00 0.00 175.10 175.86 1jwe s VAL 55 N -3.80 1.68 0.15 1.32 -7.23 -1.26 -4.41 120.40 106.84 1jwe s VAL 55 Ca 0.37 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.40 1jwe s VAL 55 Cb 0.04 -2.65 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1jwe s VAL 55 CO 0.18 0.00 1.74 0.00 -0.31 0.00 0.00 175.10 176.70 1jwe h ALA 56 N 1.57 0.36 0.00 1.32 0.00 -1.93 -3.15 119.26 117.42 1jwe h ALA 56 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1jwe h ALA 56 Cb 1.27 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jwe h ALA 56 CO 0.77 -0.32 -0.02 0.22 0.00 0.00 0.00 179.25 179.90 1jwe h ASP 57 N 0.20 0.00 -0.96 0.00 3.58 -1.97 -1.35 116.42 115.92 1jwe h ASP 57 Ca 0.15 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1jwe h ASP 57 Cb 0.15 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 1jwe h ASP 57 CO -0.19 0.02 0.63 0.44 -2.88 0.00 0.00 179.24 177.27 1jwe h ASP 58 N 0.00 1.05 -3.18 2.28 3.32 -1.94 -3.39 116.42 114.57 1jwe h ASP 58 Ca -0.00 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 1jwe h ASP 58 Cb 0.17 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1jwe h ASP 58 CO 0.00 0.73 1.08 -0.36 -1.72 0.00 0.00 179.24 178.97 1jwe s PHE 59 N -6.03 2.38 0.14 4.55 0.40 -0.51 -4.87 117.98 114.03 1jwe s PHE 59 Ca -0.12 0.69 -0.09 0.00 -0.60 0.00 0.00 56.93 56.81 1jwe s PHE 59 Cb 0.19 -4.21 -0.05 0.00 0.51 0.00 0.00 43.02 39.46 1jwe s PHE 59 CO 0.81 -2.08 1.39 -0.92 0.70 0.00 0.00 175.22 175.12 1jwe h TYR 60 N 10.66 0.92 -4.20 0.36 3.20 -1.85 -3.38 116.97 122.68 1jwe h TYR 60 Ca -0.28 -0.37 -0.49 0.00 3.14 0.00 0.00 58.73 60.72 1jwe h TYR 60 Cb 1.11 -0.15 0.06 0.00 1.54 0.00 0.00 36.73 39.29 1jwe h TYR 60 CO 0.95 1.18 0.38 0.95 -1.64 0.00 0.00 178.16 179.97 1jwe s THR 61 N -3.85 3.81 0.09 1.81 -4.23 -1.26 -4.90 115.64 107.11 1jwe s THR 61 Ca -0.09 0.85 -0.31 0.00 -1.18 0.00 0.00 61.69 60.96 1jwe s THR 61 Cb 0.10 -3.38 -0.15 0.00 1.34 0.00 0.00 72.50 70.41 1jwe s THR 61 CO 0.88 -0.51 1.63 0.03 -0.54 0.00 0.00 174.62 176.11 1jwe h ARG 62 N 0.41 -0.70 -0.59 3.99 3.08 -1.91 -1.87 114.38 116.79 1jwe h ARG 62 Ca -0.47 0.05 0.05 0.00 0.07 0.00 0.00 59.98 59.68 1jwe h ARG 62 Cb 1.22 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.38 1jwe h ARG 62 CO 0.57 -0.47 0.31 -1.00 -1.07 0.00 0.00 179.97 178.32 1jwe h PRO 63 N -0.73 0.58 -0.31 0.04 0.13 -1.87 0.13 132.00 129.96 1jwe h PRO 63 Ca -0.04 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1jwe h PRO 63 Cb 0.62 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1jwe h PRO 63 CO 0.01 0.38 0.09 0.45 -0.23 0.00 0.00 178.00 178.70 1jwe h HIS 64 N 0.59 0.51 -0.22 1.56 3.86 -1.91 -0.50 115.15 119.04 1jwe h HIS 64 Ca 0.26 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1jwe h HIS 64 Cb 0.17 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1jwe h HIS 64 CO -0.09 0.53 0.12 -0.09 0.86 0.00 0.00 177.93 179.25 1jwe h ARG 65 N 0.35 0.30 -0.29 2.45 2.43 -0.91 -1.32 114.38 117.39 1jwe h ARG 65 Ca 0.10 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1jwe h ARG 65 Cb 0.26 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1jwe h ARG 65 CO -0.00 0.28 -0.19 0.45 -1.51 0.00 0.00 179.97 179.00 1jwe h HIS 66 N 0.24 -0.48 -0.52 2.20 3.86 -0.57 0.54 115.15 120.43 1jwe h HIS 66 Ca 0.08 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1jwe h HIS 66 Cb 0.07 0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1jwe h HIS 66 CO -0.04 -0.26 0.28 0.82 0.86 0.00 0.00 177.93 179.59 1jwe h ILE 67 N -0.16 1.18 -0.18 2.45 2.04 -0.85 0.14 117.51 122.12 1jwe h ILE 67 Ca 0.15 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.58 1jwe h ILE 67 Cb 0.40 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1jwe h ILE 67 CO -0.39 0.20 -0.02 0.15 0.00 0.00 0.00 178.15 178.09 1jwe h PHE 68 N 0.69 -0.05 -0.71 1.37 3.04 -0.80 0.43 116.94 120.92 1jwe h PHE 68 Ca 0.18 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.11 1jwe h PHE 68 Cb 0.06 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 1jwe h PHE 68 CO -0.01 -0.05 0.30 1.15 -2.02 0.00 0.00 178.31 177.68 1jwe h THR 69 N 0.03 1.24 0.09 4.41 2.02 -0.29 0.93 112.91 121.34 1jwe h THR 69 Ca 0.08 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1jwe h THR 69 Cb 0.12 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1jwe h THR 69 CO -0.16 0.29 -0.04 -0.08 0.37 0.00 0.00 175.52 175.90 1jwe h GLU 70 N 1.02 -0.12 -0.61 6.66 4.57 -0.48 -0.41 114.58 125.21 1jwe h GLU 70 Ca 0.24 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 1jwe h GLU 70 Cb 0.16 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1jwe h GLU 70 CO -0.02 0.27 0.33 0.52 -1.18 0.00 0.00 179.01 178.93 1jwe h MET 71 N -0.54 0.61 -0.11 1.92 2.86 -0.67 0.28 114.93 119.28 1jwe h MET 71 Ca -0.01 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1jwe h MET 71 Cb 0.44 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1jwe h MET 71 CO 0.02 0.40 -0.03 0.00 1.06 0.00 0.00 176.91 178.36 1jwe h ALA 72 N 1.32 0.07 -0.18 6.32 0.00 -0.82 -0.64 119.26 125.33 1jwe h ALA 72 Ca 0.27 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1jwe h ALA 72 Cb 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jwe h ALA 72 CO -0.17 -0.49 -0.26 -0.09 0.00 0.00 0.00 179.25 178.24 1jwe h ARG 73 N -0.00 0.34 0.03 0.00 2.43 -0.08 0.31 114.38 117.40 1jwe h ARG 73 Ca 0.05 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1jwe h ARG 73 Cb 0.09 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1jwe h ARG 73 CO -0.12 0.58 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.84 1jwe h LEU 74 N 0.31 -0.03 -1.05 3.80 3.38 -0.26 -0.40 115.31 121.05 1jwe h LEU 74 Ca 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1jwe h LEU 74 Cb 0.63 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1jwe h LEU 74 CO 0.05 0.25 0.41 -0.61 0.09 0.00 0.00 178.44 178.62 1jwe h GLN 75 N -0.32 1.08 -0.96 1.13 5.75 -0.99 0.88 115.11 121.68 1jwe h GLN 75 Ca -0.00 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1jwe h GLN 75 Cb 0.30 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 1jwe h GLN 75 CO 0.01 0.80 0.63 1.49 -2.65 0.00 0.00 178.83 179.11 1jwe h GLU 76 N 1.08 1.21 -0.50 1.69 4.22 -0.83 -0.68 114.58 120.76 1jwe h GLU 76 Ca 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1jwe h GLU 76 Cb 0.05 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1jwe h GLU 76 CO -0.04 0.80 0.00 0.43 -2.18 0.00 0.00 179.01 178.02 1jwe n SER 77 N -4.46 1.21 -1.45 1.04 7.64 -0.17 -4.88 113.62 112.55 1jwe n SER 77 Ca 0.12 -2.07 -0.15 0.00 1.01 0.00 0.00 58.87 57.78 1jwe n SER 77 Cb 0.07 -0.30 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.42 0.62 3.40 0.23 0.00 -0.26 -4.97 105.19 104.63 1jwe n GLY 78 Ca 0.04 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.57 3.22 0.89 1.61 0.01 0.16 -4.98 113.70 112.04 1jwe s SER 79 Ca 0.00 -0.86 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 1jwe s SER 79 Cb 0.00 -0.23 0.12 0.00 0.21 0.00 0.00 66.02 66.13 1jwe s SER 79 CO 0.00 0.08 1.09 -2.16 0.41 0.00 0.00 173.24 172.66 1jwe s PRO 80 N -2.68 1.34 -0.25 12.44 0.04 -1.26 -3.30 135.00 141.32 1jwe s PRO 80 Ca 0.19 0.92 0.12 0.00 0.04 0.00 0.00 61.00 62.27 1jwe s PRO 80 Cb -0.07 -1.81 0.55 0.00 0.04 0.00 0.00 34.50 33.20 1jwe s PRO 80 CO 0.09 -2.21 1.50 0.44 0.04 0.00 0.00 177.00 176.85 1jwe n ILE 81 N -3.88 2.50 -1.92 0.56 -5.35 -1.26 -4.65 119.36 105.36 1jwe n ILE 81 Ca 0.07 -2.22 -0.37 0.00 -0.27 0.00 0.00 62.75 59.96 1jwe n ILE 81 Cb 0.55 -0.30 0.03 0.00 -1.74 0.00 0.00 39.64 38.18 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 -2.08 5.32 0.17 7.28 2.15 -1.26 -4.21 116.67 124.04 1jwe s ASP 82 Ca 0.45 2.57 -0.26 0.00 0.43 0.00 0.00 52.55 55.74 1jwe s ASP 82 Cb 0.38 -2.62 0.03 0.00 -0.30 0.00 0.00 42.92 40.42 1jwe s ASP 82 CO 0.06 -1.52 1.57 0.25 -0.17 0.00 0.00 175.17 175.36 1jwe h LEU 83 N 1.30 -1.46 -0.04 -1.34 7.12 -1.96 0.48 115.31 119.42 1jwe h LEU 83 Ca -0.51 0.24 -0.00 0.00 0.13 0.00 0.00 57.88 57.74 1jwe h LEU 83 Cb 1.30 0.66 -0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1jwe h LEU 83 CO 0.57 -0.34 0.01 0.40 -0.13 0.00 0.00 178.44 178.95 1jwe h ILE 84 N -0.25 1.17 -0.58 4.05 5.03 -1.99 -0.29 117.51 124.65 1jwe h ILE 84 Ca 0.17 -0.51 0.07 0.00 -0.12 0.00 0.00 64.86 64.47 1jwe h ILE 84 Cb 0.57 1.43 -0.06 0.00 -3.03 0.00 0.00 36.82 35.73 1jwe h ILE 84 CO -0.66 0.14 0.27 0.74 -0.68 0.00 0.00 178.15 177.96 1jwe h THR 85 N -0.13 0.87 0.45 -0.27 2.02 -1.70 -1.21 112.91 112.94 1jwe h THR 85 Ca 0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1jwe h THR 85 Cb 0.21 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1jwe h THR 85 CO -0.00 0.09 -0.23 0.25 0.37 0.00 0.00 175.52 176.00 1jwe h LEU 86 N 0.50 -0.54 -0.15 2.58 5.85 -0.68 -0.25 115.31 122.61 1jwe h LEU 86 Ca 0.28 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.06 1jwe h LEU 86 Cb 0.26 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1jwe h LEU 86 CO -0.23 -0.38 -0.12 0.00 -0.34 0.00 0.00 178.44 177.37 1jwe h ALA 87 N -0.07 -0.01 -0.60 1.25 0.00 -0.75 -0.45 119.26 118.63 1jwe h ALA 87 Ca -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jwe h ALA 87 Cb 0.48 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1jwe h ALA 87 CO 0.09 -0.56 0.20 0.93 0.00 0.00 0.00 179.25 179.91 1jwe h GLU 88 N -0.13 0.90 -0.43 0.00 4.39 -1.19 -1.94 114.58 116.18 1jwe h GLU 88 Ca 0.09 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 1jwe h GLU 88 Cb 0.27 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1jwe h GLU 88 CO -0.23 0.77 -0.04 1.03 -1.16 0.00 0.00 179.01 179.38 1jwe h SER 89 N 0.88 0.78 -0.65 1.42 0.87 -0.36 -1.05 113.55 115.44 1jwe h SER 89 Ca 0.20 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1jwe h SER 89 Cb 0.23 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1jwe h SER 89 CO -0.01 0.92 0.38 -0.07 -0.53 0.00 0.00 176.83 177.52 1jwe h LEU 90 N 0.62 0.81 -0.37 2.23 3.38 -0.80 0.13 115.31 121.30 1jwe h LEU 90 Ca 0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1jwe h LEU 90 Cb 0.55 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1jwe h LEU 90 CO 0.03 0.64 0.01 -0.08 0.09 0.00 0.00 178.44 179.13 1jwe h GLU 91 N 0.92 0.65 -0.95 1.13 4.81 -0.94 0.76 114.58 120.96 1jwe h GLU 91 Ca 0.24 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1jwe h GLU 91 Cb -0.00 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1jwe h GLU 91 CO -0.04 0.74 0.62 0.00 -0.73 0.00 0.00 179.01 179.60 1jwe h ARG 92 N 0.47 1.13 0.00 1.92 3.08 -0.75 0.07 114.38 120.30 1jwe h ARG 92 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1jwe h ARG 92 Cb 0.44 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1jwe h ARG 92 CO 0.02 0.75 0.00 1.04 -1.07 0.00 0.00 179.97 180.71 1jwe n GLN 93 N -4.46 0.17 -1.73 0.04 6.02 -0.01 -4.91 117.38 112.50 1jwe n GLN 93 Ca 0.13 0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 1jwe n GLN 93 Cb 0.13 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 1jwe n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jwe n GLY 94 N 0.62 0.42 0.00 1.08 0.00 0.02 -4.91 105.19 102.42 1jwe n GLY 94 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.10 0.06 -0.31 1.61 6.02 0.05 -4.80 117.38 117.90 1jwe n GLN 95 Ca -0.07 -0.39 -0.03 0.00 -0.01 0.00 0.00 57.00 56.49 1jwe n GLN 95 Cb 0.41 -0.70 0.09 0.00 1.02 0.00 0.00 30.24 31.06 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 0.00 0.95 -0.90 1.08 5.85 -1.79 -1.63 115.31 118.86 1jwe h LEU 96 Ca 0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1jwe h LEU 96 Cb 0.45 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1jwe h LEU 96 CO 0.00 0.68 0.15 0.44 -0.34 0.00 0.00 178.44 179.38 1jwe h ASP 97 N 1.12 0.90 0.00 1.25 5.19 -1.90 -0.19 116.42 122.80 1jwe h ASP 97 Ca 0.31 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1jwe h ASP 97 Cb -0.10 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.17 1jwe h ASP 97 CO -0.08 0.87 0.00 -1.20 -3.12 0.00 0.00 179.24 175.71 1jwe n SER 98 N -4.26 0.00 -0.00 6.45 7.64 -0.65 -1.75 113.62 121.06 1jwe n SER 98 Ca 0.05 -0.52 0.01 0.00 1.01 0.00 0.00 58.87 59.42 1jwe n SER 98 Cb 0.24 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 1jwe n SER 98 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jwe n VAL 99 N -0.96 0.00 0.00 0.44 0.24 -0.79 -4.17 118.33 113.08 1jwe n VAL 99 Ca 0.11 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1jwe n VAL 99 Cb 0.05 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.20 1.27 0.00 7.63 0.00 -0.72 -4.80 105.19 109.78 1jwe n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.15 -0.54 0.36 -0.02 0.00 -0.15 -3.29 105.19 100.40 1jwe n GLY 101 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 1.10 -0.38 1.61 3.04 -1.93 -2.01 116.94 118.36 1jwe h PHE 102 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1jwe h PHE 102 Cb 0.00 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.15 1jwe h PHE 102 CO 0.00 0.35 0.19 0.00 -2.02 0.00 0.00 178.31 176.83 1jwe h ALA 103 N 1.59 1.62 -0.01 2.41 0.00 -1.99 0.13 119.26 123.01 1jwe h ALA 103 Ca 0.53 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.15 1jwe h ALA 103 Cb 0.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jwe h ALA 103 CO -0.31 0.31 -0.90 -0.92 0.00 0.00 0.00 179.25 177.43 1jwe h TYR 104 N 0.53 0.59 -0.60 0.00 3.20 -1.36 -0.80 116.97 118.53 1jwe h TYR 104 Ca 0.14 -0.31 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 1jwe h TYR 104 Cb 0.04 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1jwe h TYR 104 CO 0.00 1.12 0.36 -0.07 -1.64 0.00 0.00 178.16 177.93 1jwe h LEU 105 N 0.24 0.72 -0.44 2.82 3.38 -0.94 -0.37 115.31 120.72 1jwe h LEU 105 Ca -0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1jwe h LEU 105 Cb 1.53 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1jwe h LEU 105 CO 0.16 0.57 0.28 0.00 0.09 0.00 0.00 178.44 179.54 1jwe h ALA 106 N 1.18 0.56 -0.19 1.53 0.00 -0.75 -0.26 119.26 121.33 1jwe h ALA 106 Ca 0.21 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1jwe h ALA 106 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1jwe h ALA 106 CO -0.04 0.04 -0.12 1.49 0.00 0.00 0.00 179.25 180.61 1jwe h GLU 107 N 0.59 -0.11 -0.52 0.00 4.57 -0.76 0.49 114.58 118.85 1jwe h GLU 107 Ca 0.16 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1jwe h GLU 107 Cb -0.03 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1jwe h GLU 107 CO -0.03 -0.07 0.31 -0.07 -1.18 0.00 0.00 179.01 177.96 1jwe h LEU 108 N -0.12 0.62 -1.39 1.64 3.38 -0.84 -0.90 115.31 117.72 1jwe h LEU 108 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jwe h LEU 108 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jwe h LEU 108 CO -0.27 0.50 0.14 -1.28 0.09 0.00 0.00 178.44 177.62 1jwe h SER 109 N 0.69 0.50 1.69 -0.43 0.87 -0.48 -1.10 113.55 115.30 1jwe h SER 109 Ca 0.19 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1jwe h SER 109 Cb -0.01 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1jwe h SER 109 CO -0.03 0.47 0.00 0.11 -0.53 0.00 0.00 176.83 176.85 1jwe h LYS 110 N 0.55 0.00 -1.49 2.24 1.57 -0.39 -3.13 116.57 115.93 1jwe h LYS 110 Ca 0.14 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.61 1jwe h LYS 110 Cb 0.14 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.31 1jwe h LYS 110 CO -0.01 0.00 0.40 -1.71 -0.57 0.00 0.00 179.45 177.56 1jwe n ASN 111 N -3.07 6.18 -3.99 0.86 5.15 -0.39 -4.86 115.26 115.15 1jwe n ASN 111 Ca 0.03 -3.02 -0.31 0.00 -0.60 0.00 0.00 54.58 50.68 1jwe n ASN 111 Cb 0.46 -1.03 -0.15 0.00 -0.53 0.00 0.00 39.78 38.53 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jwe s THR 112 N -2.18 1.92 -1.35 -0.44 2.01 -1.18 -4.06 115.64 110.35 1jwe s THR 112 Ca 0.30 -1.71 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 1jwe s THR 112 Cb 0.24 -2.22 -0.07 0.00 0.01 0.00 0.00 72.50 70.46 1jwe s THR 112 CO 0.00 -0.27 2.60 -0.81 -0.69 0.00 0.00 174.62 175.45 1jwe n PRO 113 N 4.48 3.04 0.00 4.92 -0.04 -1.26 -4.92 135.00 141.22 1jwe n PRO 113 Ca -0.07 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.43 1jwe n PRO 113 Cb 0.43 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1jwe n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jwe n SER 114 N 4.05 -1.34 -1.54 3.54 2.88 -1.26 -3.61 113.62 116.34 1jwe n SER 114 Ca 0.65 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.26 1jwe n SER 114 Cb 0.21 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.03 1jwe n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jwe n ALA 115 N 2.13 3.55 -2.20 -1.46 0.00 -1.26 -4.53 120.51 116.74 1jwe n ALA 115 Ca 0.00 -2.03 -0.41 0.00 0.00 0.00 0.00 53.44 50.99 1jwe n ALA 115 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1jwe n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwe s ALA 116 N -2.74 2.66 -0.74 0.00 0.00 -1.24 -1.89 121.76 117.80 1jwe s ALA 116 Ca 0.50 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1jwe s ALA 116 Cb 0.39 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1jwe s ALA 116 CO 0.14 -3.10 0.00 -1.71 0.00 0.00 0.00 175.76 171.09 1jwe n ASN 117 N 10.60 -3.62 -0.31 0.00 5.15 -1.26 -4.95 115.26 120.86 1jwe n ASN 117 Ca 0.17 0.14 0.15 0.00 -0.60 0.00 0.00 54.58 54.44 1jwe n ASN 117 Cb 0.49 -2.04 0.39 0.00 -0.53 0.00 0.00 39.78 38.09 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1jwe h ILE 118 N 0.00 0.72 -0.90 -1.44 2.10 -1.74 0.42 117.51 116.67 1jwe h ILE 118 Ca -0.16 -0.22 0.16 0.00 1.08 0.00 0.00 64.86 65.72 1jwe h ILE 118 Cb 0.63 0.01 -0.10 0.00 -1.09 0.00 0.00 36.82 36.26 1jwe h ILE 118 CO 0.22 0.12 0.49 0.28 -1.08 0.00 0.00 178.15 178.17 1jwe h SER 119 N 0.65 0.60 1.10 2.19 0.02 -1.93 0.17 113.55 116.36 1jwe h SER 119 Ca 0.53 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.47 1jwe h SER 119 Cb 0.97 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1jwe h SER 119 CO -0.29 0.24 -0.49 0.00 -1.14 0.00 0.00 176.83 175.14 1jwe h ALA 120 N 1.59 0.81 -0.07 3.77 0.00 -1.33 -0.30 119.26 123.72 1jwe h ALA 120 Ca 0.50 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jwe h ALA 120 Cb 0.73 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jwe h ALA 120 CO -0.37 0.61 -0.04 1.88 0.00 0.00 0.00 179.25 181.33 1jwe h TYR 121 N 0.00 0.18 0.00 0.00 -1.99 -0.74 -2.90 116.97 111.52 1jwe h TYR 121 Ca -0.00 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1jwe h TYR 121 Cb 1.17 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.86 1jwe h TYR 121 CO 0.00 0.53 -0.15 0.00 -0.00 0.00 0.00 178.16 178.55 1jwe h ALA 122 N 0.62 1.52 -0.47 3.88 0.00 -0.63 -0.91 119.26 123.27 1jwe h ALA 122 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jwe h ALA 122 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jwe h ALA 122 CO 0.01 0.18 0.07 0.22 0.00 0.00 0.00 179.25 179.74 1jwe h ASP 123 N 0.00 0.68 -0.30 0.00 3.58 -1.01 0.12 116.42 119.48 1jwe h ASP 123 Ca -0.00 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 1jwe h ASP 123 Cb 0.31 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1jwe h ASP 123 CO 0.02 0.71 -0.21 0.40 -2.88 0.00 0.00 179.24 177.28 1jwe h ILE 124 N 0.70 1.30 -0.56 2.25 2.04 -0.98 0.16 117.51 122.42 1jwe h ILE 124 Ca 0.15 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1jwe h ILE 124 Cb 0.33 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1jwe h ILE 124 CO 0.01 0.43 0.35 0.58 0.00 0.00 0.00 178.15 179.52 1jwe h VAL 125 N 0.43 1.16 0.05 1.67 2.07 -1.00 -0.57 116.25 120.06 1jwe h VAL 125 Ca 0.06 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1jwe h VAL 125 Cb 0.75 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1jwe h VAL 125 CO 0.06 0.16 -0.24 -0.09 0.02 0.00 0.00 177.57 177.48 1jwe h ARG 126 N 0.76 -0.39 -0.09 1.57 2.43 -0.72 -2.24 114.38 115.71 1jwe h ARG 126 Ca 0.20 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1jwe h ARG 126 Cb -0.04 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1jwe h ARG 126 CO -0.04 -0.26 -0.30 1.49 -1.51 0.00 0.00 179.97 179.36 1jwe h GLU 127 N -0.40 -0.38 0.00 0.20 4.81 -0.06 0.14 114.58 118.90 1jwe h GLU 127 Ca 0.05 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1jwe h GLU 127 Cb 0.46 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1jwe h GLU 127 CO -0.18 -0.25 -0.12 0.00 -0.73 0.00 0.00 179.01 177.73 1jwe h ARG 128 N -0.39 0.00 -0.00 1.92 2.47 -1.10 0.80 114.38 118.07 1jwe h ARG 128 Ca 0.09 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.58 1jwe h ARG 128 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1jwe h ARG 128 CO -0.31 0.12 -0.94 0.00 0.56 0.00 0.00 179.97 179.40 1jwe h ALA 129 N 1.88 0.37 0.41 0.04 0.00 -0.46 -0.65 119.26 120.85 1jwe h ALA 129 Ca -0.00 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1jwe h ALA 129 Cb 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1jwe h ALA 129 CO 0.02 0.82 -0.20 0.28 0.00 0.00 0.00 179.25 180.17 1jwe h VAL 130 N 0.23 0.60 0.00 0.00 2.07 0.04 -1.85 116.25 117.35 1jwe h VAL 130 Ca -0.08 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1jwe h VAL 130 Cb 1.57 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1jwe h VAL 130 CO 0.16 0.02 -0.25 0.58 0.02 0.00 0.00 177.57 178.10 1jwe h VAL 131 N -0.60 1.03 0.48 2.57 2.07 -0.93 -0.87 116.25 120.00 1jwe h VAL 131 Ca -0.06 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 1jwe h VAL 131 Cb 0.45 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1jwe h VAL 131 CO 0.09 0.24 -0.23 -0.09 0.02 0.00 0.00 177.57 177.60 1jwe h ARG 132 N 0.00 -0.63 0.00 1.57 2.43 -0.90 -1.51 114.38 115.34 1jwe h ARG 132 Ca -0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1jwe h ARG 132 Cb 0.48 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1jwe h ARG 132 CO 0.03 -0.42 -0.15 1.05 -1.51 0.00 0.00 179.97 178.97 1jwe h GLU 133 N -0.65 0.00 -0.01 0.20 4.11 -0.93 -0.40 114.58 116.89 1jwe h GLU 133 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.36 1jwe h GLU 133 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jwe h GLU 133 CO 0.11 0.15 0.00 -1.33 0.07 0.00 0.00 179.01 178.01 1jwe n MET 134 N -3.35 1.13 -3.82 1.06 2.81 -0.37 -4.96 117.12 109.62 1jwe n MET 134 Ca -0.00 -0.19 -0.26 0.00 -1.81 0.00 0.00 57.70 55.44 1jwe n MET 134 Cb 0.37 -1.44 0.03 0.00 -0.71 0.00 0.00 33.22 31.46 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 -0.72 -3.16 -0.34 2.02 2.08 -0.16 -5.02 119.36 114.05 1jwe n ILE 135 Ca 0.21 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1jwe n ILE 135 Cb 0.14 -3.24 0.00 0.00 -0.75 0.00 0.00 39.64 35.80 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91