#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 0.07 -2.93 0.03 0.00 -1.26 -4.73 118.16 109.34 1jwe n LYS 24 Ca 0.00 0.27 -0.34 0.00 -0.00 0.00 0.00 58.31 58.25 1jwe n LYS 24 Cb 0.00 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.46 1jwe n LYS 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1jwe s VAL 25 N -2.75 4.47 0.90 0.58 -7.23 -1.26 -5.08 120.40 110.04 1jwe s VAL 25 Ca 0.06 1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 61.47 1jwe s VAL 25 Cb 0.05 -3.68 0.13 0.00 0.56 0.00 0.00 36.38 33.45 1jwe s VAL 25 CO 0.13 -0.18 1.09 -2.16 -0.31 0.00 0.00 175.10 173.68 1jwe s PRO 26 N -2.87 1.19 -1.15 4.82 0.04 -1.26 -4.92 135.00 130.84 1jwe s PRO 26 Ca 0.57 0.92 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 1jwe s PRO 26 Cb -0.11 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1jwe s PRO 26 CO 0.16 -2.32 1.78 -1.25 0.04 0.00 0.00 177.00 175.41 1jwe s PRO 27 N -4.87 3.24 -0.04 0.56 0.04 -1.26 -4.63 135.00 128.04 1jwe s PRO 27 Ca 0.64 -1.32 0.06 0.00 0.04 0.00 0.00 61.00 60.42 1jwe s PRO 27 Cb -0.19 -5.34 0.09 0.00 0.04 0.00 0.00 34.50 29.10 1jwe s PRO 27 CO 0.57 -2.95 0.96 -2.39 0.04 0.00 0.00 177.00 173.23 1jwe n HIS 28 N 11.17 0.00 -2.75 0.56 1.44 -1.26 -5.05 115.22 119.33 1jwe n HIS 28 Ca 0.43 -0.48 -0.04 0.00 -2.01 0.00 0.00 57.72 55.62 1jwe n HIS 28 Cb 0.47 -0.07 0.02 0.00 0.12 0.00 0.00 29.99 30.53 1jwe n HIS 28 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1jwe n SER 29 N -0.62 -6.10 -0.19 4.39 7.64 -1.26 -4.81 113.62 112.68 1jwe n SER 29 Ca 0.05 -0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.62 1jwe n SER 29 Cb 0.49 -4.23 -0.00 0.00 -1.01 0.00 0.00 64.21 59.46 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 -0.11 0.17 0.00 0.44 1.08 -1.96 -0.78 117.51 116.34 1jwe h ILE 30 Ca -0.18 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 1jwe h ILE 30 Cb 1.09 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1jwe h ILE 30 CO 0.27 0.00 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.07 1jwe h GLU 31 N -0.19 0.00 -0.05 2.37 5.08 -1.98 0.21 114.58 120.02 1jwe h GLU 31 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1jwe h GLU 31 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jwe h GLU 31 CO -0.65 0.33 0.02 0.00 -1.00 0.00 0.00 179.01 177.71 1jwe h ALA 32 N 1.67 0.07 -0.75 3.43 0.00 -1.75 0.78 119.26 122.70 1jwe h ALA 32 Ca -0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1jwe h ALA 32 Cb 0.60 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1jwe h ALA 32 CO 0.04 -0.35 0.40 0.93 0.00 0.00 0.00 179.25 180.27 1jwe h GLU 33 N -0.08 0.64 -0.25 0.00 5.08 -0.57 -1.18 114.58 118.22 1jwe h GLU 33 Ca 0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1jwe h GLU 33 Cb 0.17 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jwe h GLU 33 CO -0.00 0.42 -0.20 1.96 -1.00 0.00 0.00 179.01 180.19 1jwe h GLN 34 N 0.66 0.45 -0.14 2.33 4.20 -0.38 -1.12 115.11 121.12 1jwe h GLN 34 Ca 0.37 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1jwe h GLN 34 Cb 0.38 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1jwe h GLN 34 CO -0.27 0.64 -0.22 0.77 -0.67 0.00 0.00 178.83 179.08 1jwe h SER 35 N 0.41 0.23 0.40 1.46 0.02 0.32 0.20 113.55 116.58 1jwe h SER 35 Ca 0.07 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1jwe h SER 35 Cb 0.59 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1jwe h SER 35 CO 0.04 0.46 -0.19 0.58 -1.14 0.00 0.00 176.83 176.58 1jwe h VAL 36 N 0.22 0.07 -0.08 2.27 2.07 -0.92 -2.02 116.25 117.86 1jwe h VAL 36 Ca 0.04 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1jwe h VAL 36 Cb 0.52 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1jwe h VAL 36 CO 0.04 0.02 -0.40 -0.07 0.02 0.00 0.00 177.57 177.18 1jwe h LEU 37 N -1.12 0.17 -0.28 2.57 3.38 -1.14 -0.55 115.31 118.34 1jwe h LEU 37 Ca -0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1jwe h LEU 37 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jwe h LEU 37 CO 0.09 0.55 -0.03 1.23 0.09 0.00 0.00 178.44 180.37 1jwe h GLY 38 N 1.20 0.56 -0.17 0.83 0.00 -0.76 -3.23 103.07 101.51 1jwe h GLY 38 Ca 0.01 -0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.06 1jwe h GLY 38 CO 0.06 0.40 0.06 -1.33 0.00 0.00 0.00 176.54 175.73 1jwe h GLY 39 N 0.30 0.84 0.63 4.60 0.00 -0.36 -1.17 103.07 107.91 1jwe h GLY 39 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.55 1jwe h GLY 39 CO 0.02 -0.23 0.64 1.41 0.00 0.00 0.00 176.54 178.37 1jwe h LEU 40 N 0.16 0.97 -1.05 3.11 3.38 -1.31 0.85 115.31 121.42 1jwe h LEU 40 Ca 0.38 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.31 1jwe h LEU 40 Cb 0.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1jwe h LEU 40 CO -0.57 0.57 -0.33 0.24 0.09 0.00 0.00 178.44 178.45 1jwe h MET 41 N 1.07 0.00 0.05 1.13 2.86 -1.26 -3.11 114.93 115.67 1jwe h MET 41 Ca 0.46 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.79 1jwe h MET 41 Cb 0.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1jwe h MET 41 CO -0.21 0.33 -1.73 -0.07 1.06 0.00 0.00 176.91 176.29 1jwe h LEU 42 N 0.00 0.16 -6.55 1.22 4.07 -1.21 -3.42 115.31 109.58 1jwe h LEU 42 Ca -0.00 -0.33 -0.59 0.00 0.08 0.00 0.00 57.88 57.04 1jwe h LEU 42 Cb 0.82 -0.05 -0.39 0.00 1.08 0.00 0.00 40.66 42.12 1jwe h LEU 42 CO 0.04 1.29 -0.88 -0.62 -1.08 0.00 0.00 178.44 177.20 1jwe s ASP 43 N -6.49 2.56 0.41 -0.43 2.15 0.22 -5.01 116.67 110.08 1jwe s ASP 43 Ca -0.10 -2.53 0.07 0.00 0.43 0.00 0.00 52.55 50.43 1jwe s ASP 43 Cb 0.08 -0.48 0.87 0.00 -0.30 0.00 0.00 42.92 43.09 1jwe s ASP 43 CO 0.81 -0.26 2.06 0.78 -0.17 0.00 0.00 175.17 178.39 1jwe h ASN 44 N 6.53 0.46 0.40 -0.34 4.21 -1.81 -1.46 115.58 123.58 1jwe h ASN 44 Ca 0.12 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.62 1jwe h ASN 44 Cb 0.94 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 1jwe h ASN 44 CO 0.32 0.33 0.00 -0.33 -1.29 0.00 0.00 177.43 176.46 1jwe h GLU 45 N 0.55 0.00 0.00 0.81 4.39 -1.95 -0.72 114.58 117.66 1jwe h GLU 45 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1jwe h GLU 45 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1jwe h GLU 45 CO -0.04 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.35 1jwe n ARG 46 N -2.64 0.36 -0.03 2.33 5.12 -0.55 -3.53 116.66 117.72 1jwe n ARG 46 Ca -0.01 0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 1jwe n ARG 46 Cb 0.15 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.04 0.00 -1.55 2.91 -1.31 0.13 115.95 115.09 1jwe h TRP 47 Ca 0.00 0.05 -0.06 0.00 1.13 0.00 0.00 58.89 60.01 1jwe h TRP 47 Cb 0.18 0.49 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 1jwe h TRP 47 CO 0.00 -0.43 -0.28 -0.44 -1.03 0.00 0.00 178.44 176.25 1jwe h ASP 48 N -0.41 0.00 0.49 2.65 3.32 -1.81 0.13 116.42 120.79 1jwe h ASP 48 Ca 0.10 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.88 1jwe h ASP 48 Cb 0.58 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.14 1jwe h ASP 48 CO -0.41 0.28 -1.17 -0.78 -1.72 0.00 0.00 179.24 175.44 1jwe h ASP 49 N 0.00 0.52 0.00 6.45 3.58 -1.48 0.43 116.42 125.92 1jwe h ASP 49 Ca -0.00 -0.51 -0.00 0.00 0.42 0.00 0.00 57.03 56.94 1jwe h ASP 49 Cb 0.51 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1jwe h ASP 49 CO 0.04 1.36 -0.01 0.58 -2.88 0.00 0.00 179.24 178.33 1jwe h VAL 50 N 0.14 1.64 0.00 2.25 2.07 -0.74 -3.26 116.25 118.35 1jwe h VAL 50 Ca -0.13 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1jwe h VAL 50 Cb 1.87 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 34.58 1jwe h VAL 50 CO 0.20 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.29 1jwe n ALA 51 N -2.51 1.36 1.05 1.67 0.00 0.46 -0.47 120.51 122.07 1jwe n ALA 51 Ca -0.09 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1jwe n ALA 51 Cb 0.40 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 18.82 1jwe n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jwe n GLU 52 N -1.77 0.24 -0.08 0.00 0.28 0.13 -4.37 120.64 115.07 1jwe n GLU 52 Ca 0.01 -0.16 -0.09 0.00 -0.16 0.00 0.00 57.16 56.76 1jwe n GLU 52 Cb 0.11 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.39 1jwe n GLU 52 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1jwe n ARG 53 N -1.24 1.15 -4.15 3.44 5.12 0.37 -5.07 116.66 116.27 1jwe n ARG 53 Ca 0.07 0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.91 1jwe n ARG 53 Cb 0.35 -1.34 -0.08 0.00 -1.16 0.00 0.00 32.46 30.22 1jwe n ARG 53 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1jwe s VAL 54 N -2.33 0.00 0.19 1.55 -7.23 0.38 -4.63 120.40 108.33 1jwe s VAL 54 Ca -0.15 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1jwe s VAL 54 Cb 0.05 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1jwe s VAL 54 CO 0.47 0.00 0.07 0.68 -0.31 0.00 0.00 175.10 176.01 1jwe s VAL 55 N -3.96 0.37 0.20 1.32 -7.23 -1.26 -4.23 120.40 105.61 1jwe s VAL 55 Ca 0.35 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1jwe s VAL 55 Cb 0.04 -2.31 0.14 0.00 0.56 0.00 0.00 36.38 34.82 1jwe s VAL 55 CO 0.14 -0.26 1.72 0.00 -0.31 0.00 0.00 175.10 176.39 1jwe h ALA 56 N 2.64 0.71 0.00 1.32 0.00 -1.94 -2.04 119.26 119.96 1jwe h ALA 56 Ca -0.37 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jwe h ALA 56 Cb 1.22 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jwe h ALA 56 CO 0.59 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 1jwe n ASP 57 N -5.07 0.51 -0.10 0.00 8.00 -1.26 -2.36 116.55 116.27 1jwe n ASP 57 Ca 0.08 0.65 -0.05 0.00 0.71 0.00 0.00 54.79 56.17 1jwe n ASP 57 Cb 0.29 -0.75 0.14 0.00 -0.02 0.00 0.00 41.12 40.78 1jwe n ASP 57 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1jwe h ASP 58 N 0.00 0.76 -2.85 -2.24 3.32 -1.79 -3.42 116.42 110.20 1jwe h ASP 58 Ca 0.00 -0.21 -0.56 0.00 0.02 0.00 0.00 57.03 56.28 1jwe h ASP 58 Cb 0.27 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1jwe h ASP 58 CO 0.00 0.88 0.93 -0.36 -1.72 0.00 0.00 179.24 178.96 1jwe s PHE 59 N -4.85 2.67 0.43 4.55 0.40 -0.99 -4.60 117.98 115.58 1jwe s PHE 59 Ca -0.09 0.81 0.13 0.00 -0.60 0.00 0.00 56.93 57.18 1jwe s PHE 59 Cb 0.14 -3.61 0.94 0.00 0.51 0.00 0.00 43.02 41.00 1jwe s PHE 59 CO 0.82 -2.25 1.97 -0.92 0.70 0.00 0.00 175.22 175.54 1jwe h TYR 60 N 8.43 0.07 -3.11 0.36 5.03 -1.89 -3.44 116.97 122.42 1jwe h TYR 60 Ca -0.31 -0.01 -0.57 0.00 2.58 0.00 0.00 58.73 60.43 1jwe h TYR 60 Cb 1.13 -0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.35 1jwe h TYR 60 CO 0.81 0.23 1.03 0.95 -1.32 0.00 0.00 178.16 179.86 1jwe s THR 61 N -4.67 4.00 0.18 1.81 -4.23 -1.26 -4.97 115.64 106.49 1jwe s THR 61 Ca -0.04 1.10 -0.23 0.00 -1.18 0.00 0.00 61.69 61.33 1jwe s THR 61 Cb 0.16 -4.09 0.09 0.00 1.34 0.00 0.00 72.50 69.99 1jwe s THR 61 CO 0.71 -0.52 1.58 0.03 -0.54 0.00 0.00 174.62 175.87 1jwe h ARG 62 N 9.96 -0.18 -0.35 3.99 -0.00 -1.99 0.53 114.38 126.34 1jwe h ARG 62 Ca -0.28 0.01 -0.07 0.00 -0.50 0.00 0.00 59.98 59.14 1jwe h ARG 62 Cb 1.11 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 31.10 1jwe h ARG 62 CO 1.04 -0.12 -0.08 -1.00 0.00 0.00 0.00 179.97 179.81 1jwe h PRO 63 N -0.19 0.59 -0.32 0.04 0.13 -1.87 0.33 132.00 130.71 1jwe h PRO 63 Ca 0.21 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 65.01 1jwe h PRO 63 Cb 0.56 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1jwe h PRO 63 CO -0.69 0.67 -0.46 0.45 -0.23 0.00 0.00 178.00 177.73 1jwe h HIS 64 N 0.55 1.03 -0.22 1.56 3.86 -1.80 -0.57 115.15 119.55 1jwe h HIS 64 Ca 0.10 -0.33 -0.01 0.00 -1.16 0.00 0.00 60.37 58.97 1jwe h HIS 64 Cb 0.47 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1jwe h HIS 64 CO 0.02 1.14 0.11 0.00 0.86 0.00 0.00 177.93 180.06 1jwe h ARG 65 N 0.67 0.32 -0.24 2.45 3.08 -0.54 -1.57 114.38 118.55 1jwe h ARG 65 Ca 0.04 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1jwe h ARG 65 Cb 1.05 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 1jwe h ARG 65 CO 0.10 0.32 -0.19 0.45 -1.07 0.00 0.00 179.97 179.58 1jwe h HIS 66 N 0.24 -0.48 0.39 3.04 3.86 -0.80 0.13 115.15 121.53 1jwe h HIS 66 Ca 0.08 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1jwe h HIS 66 Cb 0.10 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1jwe h HIS 66 CO -0.03 -0.26 -0.48 0.82 0.86 0.00 0.00 177.93 178.84 1jwe h ILE 67 N -0.18 0.06 -0.23 2.45 2.04 -0.91 0.15 117.51 120.88 1jwe h ILE 67 Ca 0.14 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1jwe h ILE 67 Cb 0.39 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1jwe h ILE 67 CO -0.35 0.00 -0.05 0.15 0.00 0.00 0.00 178.15 177.90 1jwe h PHE 68 N -0.91 0.36 -0.06 1.37 3.57 -1.10 0.18 116.94 120.36 1jwe h PHE 68 Ca -0.04 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1jwe h PHE 68 Cb 0.82 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1jwe h PHE 68 CO -0.29 0.41 0.00 1.15 -2.23 0.00 0.00 178.31 177.36 1jwe h THR 69 N 0.34 1.23 0.00 4.41 2.02 -0.36 0.10 112.91 120.65 1jwe h THR 69 Ca 0.07 -0.72 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 1jwe h THR 69 Cb 0.32 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1jwe h THR 69 CO 0.01 0.20 -0.60 -0.08 0.37 0.00 0.00 175.52 175.43 1jwe h GLU 70 N -0.17 0.00 -0.12 6.66 4.57 -0.30 0.18 114.58 125.40 1jwe h GLU 70 Ca 0.02 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1jwe h GLU 70 Cb 0.31 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1jwe h GLU 70 CO 0.00 0.60 0.01 0.52 -1.18 0.00 0.00 179.01 178.96 1jwe h MET 71 N 0.00 0.21 -0.39 1.92 2.86 -0.98 -1.04 114.93 117.51 1jwe h MET 71 Ca -0.01 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1jwe h MET 71 Cb 1.25 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1jwe h MET 71 CO 0.08 0.42 0.10 0.00 1.06 0.00 0.00 176.91 178.57 1jwe h ALA 72 N 0.78 0.44 -0.96 6.32 0.00 -0.35 0.98 119.26 126.47 1jwe h ALA 72 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jwe h ALA 72 Cb 0.31 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1jwe h ALA 72 CO 0.00 -0.30 0.60 0.00 0.00 0.00 0.00 179.25 179.56 1jwe h ARG 73 N 0.24 1.29 0.18 0.00 3.08 -0.92 0.11 114.38 118.36 1jwe h ARG 73 Ca 0.18 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1jwe h ARG 73 Cb 0.20 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1jwe h ARG 73 CO -0.22 0.89 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.41 1jwe h LEU 74 N 1.32 -0.20 -1.16 3.04 3.38 -0.36 -1.59 115.31 119.74 1jwe h LEU 74 Ca 0.35 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1jwe h LEU 74 Cb -0.09 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1jwe h LEU 74 CO -0.07 0.03 0.41 -0.61 0.09 0.00 0.00 178.44 178.29 1jwe h GLN 75 N -0.44 0.99 0.00 1.13 5.75 -0.59 0.63 115.11 122.58 1jwe h GLN 75 Ca -0.02 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 1jwe h GLN 75 Cb 0.34 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 1jwe h GLN 75 CO 0.04 0.71 -0.14 1.49 -2.65 0.00 0.00 178.83 178.28 1jwe h GLU 76 N 1.00 0.00 -0.00 1.69 4.81 -0.74 -0.93 114.58 120.41 1jwe h GLU 76 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1jwe h GLU 76 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jwe h GLU 76 CO -0.04 0.14 -0.13 -1.13 -0.73 0.00 0.00 179.01 177.12 1jwe n SER 77 N -4.35 0.28 -1.67 1.04 3.41 0.01 -4.92 113.62 107.42 1jwe n SER 77 Ca -0.03 -0.17 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1jwe n SER 77 Cb 0.21 -0.16 0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1jwe n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jwe n GLY 78 N 1.38 0.35 3.55 5.00 0.00 -0.35 -5.08 105.19 110.03 1jwe n GLY 78 Ca 0.11 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.10 4.14 0.91 1.61 0.01 -0.03 -5.00 113.70 112.23 1jwe s SER 79 Ca 0.22 -0.62 -0.11 0.00 1.31 0.00 0.00 55.95 56.75 1jwe s SER 79 Cb -0.10 -0.66 0.13 0.00 0.21 0.00 0.00 66.02 65.61 1jwe s SER 79 CO 0.27 0.11 1.09 -2.16 0.41 0.00 0.00 173.24 172.96 1jwe s PRO 80 N -2.80 1.17 -0.35 12.44 0.04 -1.26 -3.10 135.00 141.14 1jwe s PRO 80 Ca 0.24 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1jwe s PRO 80 Cb -0.09 -1.79 0.70 0.00 0.04 0.00 0.00 34.50 33.36 1jwe s PRO 80 CO 0.14 -2.32 1.81 0.44 0.04 0.00 0.00 177.00 177.12 1jwe n ILE 81 N -3.94 2.93 -1.56 0.56 -5.35 -1.26 -4.67 119.36 106.07 1jwe n ILE 81 Ca 0.07 -1.64 -0.34 0.00 -0.27 0.00 0.00 62.75 60.56 1jwe n ILE 81 Cb 0.55 -0.42 0.08 0.00 -1.74 0.00 0.00 39.64 38.11 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 -1.02 4.45 0.13 7.28 -1.08 -1.26 -4.26 116.67 120.91 1jwe s ASP 82 Ca 0.54 2.34 -0.24 0.00 -0.52 0.00 0.00 52.55 54.66 1jwe s ASP 82 Cb 0.44 -2.59 -0.02 0.00 -1.46 0.00 0.00 42.92 39.29 1jwe s ASP 82 CO 0.12 -2.09 1.64 0.25 0.52 0.00 0.00 175.17 175.61 1jwe h LEU 83 N -0.06 -0.70 -0.43 -1.34 5.85 -1.95 0.77 115.31 117.46 1jwe h LEU 83 Ca -0.48 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1jwe h LEU 83 Cb 1.29 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 1jwe h LEU 83 CO 0.51 -0.28 0.05 0.40 -0.34 0.00 0.00 178.44 178.77 1jwe h ILE 84 N -0.31 1.25 -0.27 4.05 1.08 -1.98 0.24 117.51 121.57 1jwe h ILE 84 Ca 0.09 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.64 1jwe h ILE 84 Cb 0.44 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 1jwe h ILE 84 CO -0.28 0.32 0.15 0.74 -0.69 0.00 0.00 178.15 178.39 1jwe h THR 85 N 0.57 1.01 0.13 -0.27 2.02 -1.86 -1.75 112.91 112.77 1jwe h THR 85 Ca 0.13 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1jwe h THR 85 Cb 0.41 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1jwe h THR 85 CO 0.01 0.06 -0.16 0.25 0.37 0.00 0.00 175.52 176.05 1jwe h LEU 86 N 0.31 -0.44 -0.32 2.58 5.85 -0.43 -1.37 115.31 121.49 1jwe h LEU 86 Ca 0.11 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1jwe h LEU 86 Cb 0.01 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1jwe h LEU 86 CO -0.06 -0.24 0.13 0.00 -0.34 0.00 0.00 178.44 177.93 1jwe h ALA 87 N 0.49 0.38 -0.20 1.25 0.00 -0.82 0.38 119.26 120.73 1jwe h ALA 87 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1jwe h ALA 87 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jwe h ALA 87 CO -0.06 -0.26 0.02 0.93 0.00 0.00 0.00 179.25 179.88 1jwe h GLU 88 N 0.29 0.29 0.03 0.00 4.39 -1.19 0.11 114.58 118.50 1jwe h GLU 88 Ca 0.14 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1jwe h GLU 88 Cb 0.09 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1jwe h GLU 88 CO -0.12 0.30 -0.02 1.03 -1.16 0.00 0.00 179.01 179.04 1jwe h SER 89 N 0.29 -0.04 -0.38 1.42 0.87 -0.35 -1.88 113.55 113.48 1jwe h SER 89 Ca 0.07 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1jwe h SER 89 Cb 0.17 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1jwe h SER 89 CO 0.00 0.41 0.25 -0.07 -0.53 0.00 0.00 176.83 176.90 1jwe h LEU 90 N -0.50 0.42 0.09 2.23 3.38 -0.58 -1.55 115.31 118.80 1jwe h LEU 90 Ca -0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jwe h LEU 90 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jwe h LEU 90 CO 0.01 0.31 -0.04 -0.33 0.09 0.00 0.00 178.44 178.47 1jwe h GLU 91 N 0.50 -0.12 0.00 1.13 5.08 -0.72 0.19 114.58 120.65 1jwe h GLU 91 Ca 0.14 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1jwe h GLU 91 Cb -0.05 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1jwe h GLU 91 CO -0.03 0.17 -0.15 0.07 -1.00 0.00 0.00 179.01 178.08 1jwe h ARG 92 N -0.41 0.00 0.00 2.33 0.11 -0.92 0.12 114.38 115.60 1jwe h ARG 92 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1jwe h ARG 92 Cb 0.35 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.42 1jwe h ARG 92 CO 0.02 0.15 -0.07 1.96 0.10 0.00 0.00 179.97 182.13 1jwe h GLN 93 N 0.00 0.00 -3.67 0.08 1.08 -1.21 -3.48 115.11 107.91 1jwe h GLN 93 Ca -0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 1jwe h GLN 93 Cb 0.28 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.79 1jwe h GLN 93 CO 0.02 0.07 -0.35 0.41 -0.95 0.00 0.00 178.83 178.03 1jwe n GLY 94 N 0.43 0.07 0.00 3.46 0.00 0.40 -4.97 105.19 104.58 1jwe n GLY 94 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.41 1.64 -0.27 1.61 6.02 0.52 -4.86 117.38 119.63 1jwe n GLN 95 Ca -0.13 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.84 1jwe n GLN 95 Cb 0.58 -0.13 0.09 0.00 1.02 0.00 0.00 30.24 31.80 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 0.80 -0.97 1.08 5.85 -1.81 0.17 115.31 120.43 1jwe h LEU 96 Ca 0.00 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1jwe h LEU 96 Cb 0.00 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1jwe h LEU 96 CO 0.00 0.55 0.61 -2.24 -0.34 0.00 0.00 178.44 177.02 1jwe h ASP 97 N 0.94 0.94 1.73 1.25 2.03 -1.89 0.12 116.42 121.53 1jwe h ASP 97 Ca 0.30 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1jwe h ASP 97 Cb 0.01 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1jwe h ASP 97 CO -0.11 0.56 -0.01 0.28 -1.03 0.00 0.00 179.24 178.93 1jwe h SER 98 N 1.05 0.00 0.84 4.15 0.02 -1.33 -1.70 113.55 116.58 1jwe h SER 98 Ca 0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1jwe h SER 98 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1jwe h SER 98 CO -0.21 0.00 -0.26 1.33 -1.14 0.00 0.00 176.83 176.55 1jwe n VAL 99 N -2.68 0.10 0.00 2.27 0.24 -0.67 -4.73 118.33 112.86 1jwe n VAL 99 Ca 0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1jwe n VAL 99 Cb 0.48 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 1.46 1.34 0.00 7.63 0.00 -0.64 -4.81 105.19 110.17 1jwe n GLY 100 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.30 -0.27 0.33 -0.02 0.00 0.39 -3.59 105.19 101.73 1jwe n GLY 101 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 0.88 -0.72 1.61 3.04 -1.96 -1.28 116.94 118.51 1jwe h PHE 102 Ca 0.00 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.10 1jwe h PHE 102 Cb 0.00 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.21 1jwe h PHE 102 CO 0.00 0.15 0.48 0.00 -2.02 0.00 0.00 178.31 176.91 1jwe h ALA 103 N 1.64 1.94 -0.08 2.41 0.00 -1.96 0.14 119.26 123.35 1jwe h ALA 103 Ca 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.43 1jwe h ALA 103 Cb 0.88 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jwe h ALA 103 CO -0.41 -0.11 -0.02 -0.92 0.00 0.00 0.00 179.25 177.78 1jwe h TYR 104 N 0.54 0.18 -0.73 0.00 3.20 -1.29 -1.96 116.97 116.91 1jwe h TYR 104 Ca 0.34 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 1jwe h TYR 104 Cb 0.60 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1jwe h TYR 104 CO -0.00 0.49 0.39 -0.07 -1.64 0.00 0.00 178.16 177.33 1jwe h LEU 105 N -0.18 0.91 -2.10 2.82 3.38 -1.17 -0.65 115.31 118.32 1jwe h LEU 105 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jwe h LEU 105 Cb 0.43 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jwe h LEU 105 CO 0.01 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.29 1jwe h ALA 106 N 1.20 1.00 0.42 1.53 0.00 -0.75 -0.44 119.26 122.22 1jwe h ALA 106 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jwe h ALA 106 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jwe h ALA 106 CO -0.04 0.00 -0.20 1.49 0.00 0.00 0.00 179.25 180.50 1jwe h GLU 107 N 0.00 -0.54 -0.72 0.00 4.81 -0.32 -0.28 114.58 117.53 1jwe h GLU 107 Ca 0.00 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1jwe h GLU 107 Cb 0.29 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 29.66 1jwe h GLU 107 CO 0.00 -0.25 -0.27 -0.07 -0.73 0.00 0.00 179.01 177.69 1jwe h LEU 108 N -1.00 -0.97 -0.09 1.64 4.07 -1.01 -0.21 115.31 117.74 1jwe h LEU 108 Ca -0.06 0.24 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 1jwe h LEU 108 Cb 0.55 0.55 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1jwe h LEU 108 CO 0.09 -0.28 0.04 -1.28 -1.08 0.00 0.00 178.44 175.94 1jwe h SER 109 N -0.07 0.11 0.66 -0.43 0.87 -1.09 -2.39 113.55 111.21 1jwe h SER 109 Ca 0.31 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1jwe h SER 109 Cb 0.56 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1jwe h SER 109 CO -0.76 0.18 -0.31 0.07 -0.53 0.00 0.00 176.83 175.47 1jwe h LYS 110 N 0.03 0.00 -0.80 2.24 2.10 -0.62 -2.90 116.57 116.63 1jwe h LYS 110 Ca 0.03 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.54 1jwe h LYS 110 Cb 0.09 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.34 1jwe h LYS 110 CO -0.00 0.31 0.18 0.09 -2.00 0.00 0.00 179.45 178.02 1jwe n ASN 111 N -3.65 4.24 -4.48 7.07 3.02 -0.13 -4.83 115.26 116.51 1jwe n ASN 111 Ca -0.01 -2.89 -0.42 0.00 -0.03 0.00 0.00 54.58 51.24 1jwe n ASN 111 Cb 0.43 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jwe s THR 112 N -2.39 5.25 -0.97 3.41 2.01 -0.97 -4.73 115.64 117.25 1jwe s THR 112 Ca 0.42 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1jwe s THR 112 Cb 0.33 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1jwe s THR 112 CO 0.11 -0.19 2.58 -0.81 -0.69 0.00 0.00 174.62 175.61 1jwe n PRO 113 N 5.14 2.54 -3.92 4.92 -0.04 -1.26 -4.61 135.00 137.77 1jwe n PRO 113 Ca -0.12 -1.57 -0.26 0.00 -0.04 0.00 0.00 63.50 61.51 1jwe n PRO 113 Cb 0.48 -2.45 -0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 3.64 -1.36 0.00 3.54 7.64 -1.26 -3.58 113.62 122.24 1jwe n SER 114 Ca 0.54 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1jwe n SER 114 Cb 0.29 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.12 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 -4.40 0.00 -0.21 -0.43 0.00 -1.26 -4.92 120.51 109.28 1jwe n ALA 115 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1jwe n ALA 115 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1jwe n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwe n ALA 116 N 0.00 0.00 0.68 0.00 0.00 -1.23 -2.15 120.51 117.80 1jwe n ALA 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jwe n ALA 116 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jwe n ALA 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jwe n ASN 117 N 5.22 1.66 -0.07 0.00 4.13 -1.26 -4.46 115.26 120.47 1jwe n ASN 117 Ca 0.00 -1.36 -0.07 0.00 1.68 0.00 0.00 54.58 54.84 1jwe n ASN 117 Cb 0.00 -0.34 -0.01 0.00 -1.54 0.00 0.00 39.78 37.90 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1jwe h ILE 118 N 0.23 0.57 0.00 2.41 2.10 -1.76 -0.51 117.51 120.55 1jwe h ILE 118 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.90 1jwe h ILE 118 Cb 0.58 0.57 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 1jwe h ILE 118 CO 0.00 0.00 -0.18 0.28 -1.08 0.00 0.00 178.15 177.17 1jwe h SER 119 N -0.10 0.00 -0.07 2.19 0.02 -1.89 0.15 113.55 113.86 1jwe h SER 119 Ca 0.15 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1jwe h SER 119 Cb 0.33 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1jwe h SER 119 CO -0.35 0.18 -0.54 0.00 -1.14 0.00 0.00 176.83 174.97 1jwe h ALA 120 N 1.82 0.16 -0.72 3.77 0.00 -1.55 -1.98 119.26 120.77 1jwe h ALA 120 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1jwe h ALA 120 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jwe h ALA 120 CO 0.02 0.38 0.25 1.88 0.00 0.00 0.00 179.25 181.78 1jwe h TYR 121 N 0.06 1.13 -0.69 0.00 0.05 -0.41 -2.00 116.97 115.11 1jwe h TYR 121 Ca -0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1jwe h TYR 121 Cb 1.20 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 1jwe h TYR 121 CO 0.12 0.89 0.41 0.00 -1.05 0.00 0.00 178.16 178.53 1jwe h ALA 122 N 1.12 0.88 -0.20 3.88 0.00 -0.73 -0.92 119.26 123.29 1jwe h ALA 122 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1jwe h ALA 122 Cb 0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jwe h ALA 122 CO -0.01 0.36 -0.21 0.22 0.00 0.00 0.00 179.25 179.61 1jwe h ASP 123 N 0.94 0.34 -0.72 0.00 1.82 -1.08 0.13 116.42 117.85 1jwe h ASP 123 Ca 0.25 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 1jwe h ASP 123 Cb -0.01 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 39.87 1jwe h ASP 123 CO -0.04 0.57 0.41 0.40 -1.61 0.00 0.00 179.24 178.96 1jwe h ILE 124 N 0.31 1.22 -0.18 2.25 2.04 -0.61 0.16 117.51 122.70 1jwe h ILE 124 Ca 0.05 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1jwe h ILE 124 Cb 0.56 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1jwe h ILE 124 CO 0.04 0.23 0.01 0.58 0.00 0.00 0.00 178.15 179.01 1jwe h VAL 125 N 0.99 1.24 -0.59 1.67 2.07 -0.73 -2.03 116.25 118.88 1jwe h VAL 125 Ca 0.26 -0.80 0.12 0.00 0.82 0.00 0.00 66.70 67.09 1jwe h VAL 125 Cb 0.01 1.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.09 1jwe h VAL 125 CO -0.04 0.24 -0.11 -0.09 0.02 0.00 0.00 177.57 177.59 1jwe h ARG 126 N 0.09 0.02 -0.39 1.57 2.43 -0.54 -0.56 114.38 117.00 1jwe h ARG 126 Ca 0.05 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1jwe h ARG 126 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1jwe h ARG 126 CO 0.01 0.02 0.23 1.49 -1.51 0.00 0.00 179.97 180.20 1jwe h GLU 127 N 0.03 0.46 -0.57 0.20 4.57 -0.42 0.20 114.58 119.04 1jwe h GLU 127 Ca 0.29 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1jwe h GLU 127 Cb 0.45 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1jwe h GLU 127 CO -0.58 0.30 0.35 0.00 -1.18 0.00 0.00 179.01 177.90 1jwe h ARG 128 N 0.47 0.68 -0.40 1.92 2.47 -0.58 0.06 114.38 119.00 1jwe h ARG 128 Ca 0.15 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 1jwe h ARG 128 Cb 0.00 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 1jwe h ARG 128 CO -0.07 0.45 0.10 0.00 0.56 0.00 0.00 179.97 181.01 1jwe h ALA 129 N 1.24 0.52 -0.38 0.04 0.00 -0.26 0.59 119.26 121.02 1jwe h ALA 129 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jwe h ALA 129 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1jwe h ALA 129 CO -0.09 0.20 0.21 0.28 0.00 0.00 0.00 179.25 179.85 1jwe h VAL 130 N 0.50 1.15 -0.25 0.00 2.07 -0.46 0.20 116.25 119.47 1jwe h VAL 130 Ca 0.12 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1jwe h VAL 130 Cb 0.31 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1jwe h VAL 130 CO 0.00 0.15 -0.04 0.58 0.02 0.00 0.00 177.57 178.28 1jwe h VAL 131 N 0.48 1.17 -0.46 2.57 2.07 -0.81 0.17 116.25 121.45 1jwe h VAL 131 Ca 0.13 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1jwe h VAL 131 Cb 0.06 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1jwe h VAL 131 CO -0.02 0.24 0.00 -0.09 0.02 0.00 0.00 177.57 177.72 1jwe h ARG 132 N 0.36 0.81 0.00 1.57 2.43 -0.32 -1.91 114.38 117.31 1jwe h ARG 132 Ca 0.08 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1jwe h ARG 132 Cb 0.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1jwe h ARG 132 CO 0.01 0.86 0.00 1.05 -1.51 0.00 0.00 179.97 180.38 1jwe h GLU 133 N 0.65 0.00 -0.46 0.20 4.11 0.22 -1.23 114.58 118.08 1jwe h GLU 133 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 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 0.02 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.77 1jwe n MET 134 N -2.63 2.19 -3.96 1.06 2.81 0.47 -4.98 117.12 112.08 1jwe n MET 134 Ca 0.03 -1.84 -0.27 0.00 -1.81 0.00 0.00 57.70 53.81 1jwe n MET 134 Cb 0.33 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.00 -3.19 0.00 2.02 -0.00 -0.46 -5.02 119.36 113.71 1jwe n ILE 135 Ca 0.18 -0.55 0.00 0.00 -0.00 0.00 0.00 62.75 62.37 1jwe n ILE 135 Cb 0.45 -2.69 0.00 0.00 -0.00 0.00 0.00 39.64 37.40 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01