#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 4.03 -0.31 0.03 2.36 -1.26 -4.89 119.74 119.71 1jwe s LYS 24 Ca 0.00 2.37 -0.34 0.00 -2.55 0.00 0.00 55.97 55.45 1jwe s LYS 24 Cb 0.00 -4.12 -0.10 0.00 -1.05 0.00 0.00 37.83 32.55 1jwe s LYS 24 CO 0.00 -1.06 2.17 1.33 1.55 0.00 0.00 175.35 179.34 1jwe n VAL 25 N 5.80 0.24 -1.08 4.02 0.24 -1.26 -4.97 118.33 121.33 1jwe n VAL 25 Ca 0.20 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.34 61.96 1jwe n VAL 25 Cb 0.42 -1.80 0.21 0.00 -1.47 0.00 0.00 33.84 31.21 1jwe n VAL 25 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1jwe n PRO 26 N 8.13 -2.68 -0.13 7.34 -0.04 -1.26 -4.86 135.00 141.50 1jwe n PRO 26 Ca 0.38 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1jwe n PRO 26 Cb 0.27 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1jwe n PRO 26 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1jwe n PRO 27 N -4.31 0.41 -1.45 0.54 -0.04 -1.26 -4.82 135.00 124.07 1jwe n PRO 27 Ca 0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 1jwe n PRO 27 Cb 0.51 -1.29 0.23 0.00 -0.04 0.00 0.00 33.50 32.91 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 0.97 0.76 -0.41 0.54 -3.43 -1.26 -4.78 115.29 107.68 1jwe s HIS 28 Ca 0.00 0.35 0.04 0.00 -0.80 0.00 0.00 55.06 54.65 1jwe s HIS 28 Cb 0.00 -3.79 0.17 0.00 -1.43 0.00 0.00 32.58 27.52 1jwe s HIS 28 CO 0.00 -3.47 0.39 -1.12 -2.00 0.00 0.00 174.74 168.54 1jwe s SER 29 N -4.38 1.16 0.21 7.38 0.01 -1.26 -5.01 113.70 111.80 1jwe s SER 29 Ca 0.73 -2.47 -0.18 0.00 1.31 0.00 0.00 55.95 55.35 1jwe s SER 29 Cb -0.06 0.11 0.19 0.00 0.21 0.00 0.00 66.02 66.47 1jwe s SER 29 CO 0.55 -0.19 1.59 0.40 0.41 0.00 0.00 173.24 175.99 1jwe h ILE 30 N 4.82 0.16 -0.07 1.44 5.03 -1.98 -1.11 117.51 125.80 1jwe h ILE 30 Ca 0.17 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.83 1jwe h ILE 30 Cb 0.98 0.16 -0.01 0.00 -3.03 0.00 0.00 36.82 34.92 1jwe h ILE 30 CO 0.27 0.00 -0.30 -0.33 -0.68 0.00 0.00 178.15 177.11 1jwe h GLU 31 N -0.09 0.13 0.08 2.37 5.08 -1.99 0.35 114.58 120.51 1jwe h GLU 31 Ca 0.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1jwe h GLU 31 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jwe h GLU 31 CO -0.76 0.42 -0.04 0.00 -1.00 0.00 0.00 179.01 177.63 1jwe h ALA 32 N 1.59 -0.11 -0.80 3.43 0.00 -1.75 -3.00 119.26 118.62 1jwe h ALA 32 Ca 0.02 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jwe h ALA 32 Cb 0.59 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1jwe h ALA 32 CO 0.04 -0.35 0.41 0.93 0.00 0.00 0.00 179.25 180.29 1jwe h GLU 33 N -0.54 0.62 0.10 0.00 5.08 -0.38 -1.37 114.58 118.09 1jwe h GLU 33 Ca -0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1jwe h GLU 33 Cb 0.45 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1jwe h GLU 33 CO 0.02 0.41 -0.20 1.96 -1.00 0.00 0.00 179.01 180.19 1jwe h GLN 34 N 0.64 -0.36 0.00 2.33 4.20 -0.41 -2.12 115.11 119.39 1jwe h GLN 34 Ca 0.42 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 59.10 1jwe h GLN 34 Cb 0.52 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1jwe h GLN 34 CO -0.32 -0.24 -0.24 0.77 -0.67 0.00 0.00 178.83 178.13 1jwe h SER 35 N -0.38 0.00 0.71 1.46 0.02 -1.13 0.53 113.55 114.75 1jwe h SER 35 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1jwe h SER 35 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1jwe h SER 35 CO -0.12 0.24 -0.34 0.58 -1.14 0.00 0.00 176.83 176.04 1jwe h VAL 36 N 0.00 0.19 -0.60 2.27 2.07 -1.01 -1.73 116.25 117.43 1jwe h VAL 36 Ca -0.00 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1jwe h VAL 36 Cb 0.48 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1jwe h VAL 36 CO 0.03 0.02 0.21 -0.07 0.02 0.00 0.00 177.57 177.78 1jwe h LEU 37 N -1.12 0.86 -1.01 2.57 3.38 -0.97 0.18 115.31 119.20 1jwe h LEU 37 Ca -0.10 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.81 1jwe h LEU 37 Cb 0.76 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1jwe h LEU 37 CO 0.16 0.83 0.63 1.23 0.09 0.00 0.00 178.44 181.38 1jwe h GLY 38 N 0.85 1.67 2.00 0.83 0.00 -1.00 -1.42 103.07 106.00 1jwe h GLY 38 Ca 0.20 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1jwe h GLY 38 CO -0.01 0.13 -0.16 -1.33 0.00 0.00 0.00 176.54 175.17 1jwe h GLY 39 N 0.96 0.00 1.57 4.60 0.00 -0.01 -2.78 103.07 107.41 1jwe h GLY 39 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.62 1jwe h GLY 39 CO -0.28 0.00 -0.90 1.41 0.00 0.00 0.00 176.54 176.76 1jwe h LEU 40 N 0.00 0.50 -1.77 3.11 3.38 -0.74 0.16 115.31 119.95 1jwe h LEU 40 Ca -0.00 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1jwe h LEU 40 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1jwe h LEU 40 CO 0.02 1.18 -0.15 0.24 0.09 0.00 0.00 178.44 179.82 1jwe h MET 41 N 0.23 0.00 0.17 1.13 2.86 -1.45 -3.25 114.93 114.62 1jwe h MET 41 Ca -0.07 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.26 1jwe h MET 41 Cb 1.53 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.20 1jwe h MET 41 CO 0.15 0.15 -1.49 -0.07 1.06 0.00 0.00 176.91 176.72 1jwe h LEU 42 N 0.00 0.57 -6.94 1.22 3.38 -1.12 -3.43 115.31 108.98 1jwe h LEU 42 Ca -0.00 -0.91 -0.50 0.00 0.09 0.00 0.00 57.88 56.55 1jwe h LEU 42 Cb 0.39 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 40.55 1jwe h LEU 42 CO 0.02 1.68 -0.77 -0.62 0.09 0.00 0.00 178.44 178.84 1jwe s ASP 43 N -7.23 3.03 0.38 -0.43 2.15 0.50 -4.88 116.67 110.19 1jwe s ASP 43 Ca -0.16 -1.00 0.06 0.00 0.43 0.00 0.00 52.55 51.88 1jwe s ASP 43 Cb 0.04 -0.34 0.74 0.00 -0.30 0.00 0.00 42.92 43.06 1jwe s ASP 43 CO 0.84 -0.39 1.99 0.78 -0.17 0.00 0.00 175.17 178.21 1jwe h ASN 44 N 8.39 0.50 0.09 -0.34 4.21 -1.83 -2.66 115.58 123.95 1jwe h ASN 44 Ca -0.17 -0.04 -0.06 0.00 1.21 0.00 0.00 56.30 57.23 1jwe h ASN 44 Cb 1.07 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.13 1jwe h ASN 44 CO 0.37 0.44 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.42 1jwe h GLU 45 N 0.57 0.23 0.00 0.81 4.39 -1.95 -2.19 114.58 116.43 1jwe h GLU 45 Ca 0.14 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1jwe h GLU 45 Cb 0.08 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1jwe h GLU 45 CO -0.02 0.43 0.00 0.54 -1.16 0.00 0.00 179.01 178.81 1jwe n ARG 46 N -4.21 0.56 -0.21 2.33 5.12 -1.00 -2.41 116.66 116.85 1jwe n ARG 46 Ca -0.01 0.03 0.01 0.00 -1.93 0.00 0.00 57.85 55.95 1jwe n ARG 46 Cb 0.33 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.25 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 0.30 -0.33 -1.55 2.91 -1.53 0.15 115.95 115.89 1jwe h TRP 47 Ca 0.00 0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1jwe h TRP 47 Cb 0.06 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 1jwe h TRP 47 CO 0.00 0.01 -0.12 -0.44 -1.03 0.00 0.00 178.44 176.87 1jwe h ASP 48 N 0.32 0.56 -0.09 2.65 3.32 -1.71 0.29 116.42 121.76 1jwe h ASP 48 Ca 0.33 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1jwe h ASP 48 Cb 0.48 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1jwe h ASP 48 CO -0.38 0.71 -0.12 -0.78 -1.72 0.00 0.00 179.24 176.95 1jwe h ASP 49 N 0.53 0.25 -0.57 6.45 1.82 -1.50 -0.48 116.42 122.92 1jwe h ASP 49 Ca 0.10 -0.52 -0.04 0.00 -0.39 0.00 0.00 57.03 56.17 1jwe h ASP 49 Cb 0.52 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 1jwe h ASP 49 CO 0.03 0.72 0.19 0.58 -1.61 0.00 0.00 179.24 179.15 1jwe h VAL 50 N -0.21 1.24 0.00 2.25 2.07 -0.95 -2.51 116.25 118.13 1jwe h VAL 50 Ca 0.01 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1jwe h VAL 50 Cb 0.67 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1jwe h VAL 50 CO 0.03 0.30 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 1jwe h ALA 51 N 1.05 1.25 -0.01 1.67 0.00 -0.09 0.30 119.26 123.44 1jwe h ALA 51 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jwe h ALA 51 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1jwe h ALA 51 CO -0.01 0.12 -0.03 -0.85 0.00 0.00 0.00 179.25 178.49 1jwe n GLU 52 N -3.58 1.55 -0.09 0.00 0.28 -0.22 -3.89 120.64 114.69 1jwe n GLU 52 Ca -0.02 -0.88 -0.11 0.00 -0.16 0.00 0.00 57.16 55.99 1jwe n GLU 52 Cb 0.23 -1.48 -0.10 0.00 1.43 0.00 0.00 31.44 31.51 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 0.04 0.94 -3.95 3.44 5.12 0.07 -5.07 116.66 117.26 1jwe n ARG 53 Ca 0.18 0.06 -0.09 0.00 -1.93 0.00 0.00 57.85 56.07 1jwe n ARG 53 Cb 0.35 -1.39 -0.03 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 -2.38 0.00 0.32 1.55 -7.23 0.85 -4.68 120.40 108.83 1jwe s VAL 54 Ca -0.18 -1.28 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1jwe s VAL 54 Cb 0.06 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 1jwe s VAL 54 CO 0.53 0.00 0.12 0.68 -0.31 0.00 0.00 175.10 176.12 1jwe s VAL 55 N -3.55 0.59 0.61 1.32 -7.23 -1.26 -4.22 120.40 106.66 1jwe s VAL 55 Ca 0.20 -2.00 0.32 0.00 -1.81 0.00 0.00 61.98 58.69 1jwe s VAL 55 Cb -0.03 -2.56 0.37 0.00 0.56 0.00 0.00 36.38 34.72 1jwe s VAL 55 CO 0.11 0.00 2.20 0.00 -0.31 0.00 0.00 175.10 177.10 1jwe h ALA 56 N 2.15 1.54 0.00 1.32 0.00 -1.94 -1.50 119.26 120.82 1jwe h ALA 56 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jwe h ALA 56 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jwe h ALA 56 CO 0.58 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 1jwe n ASP 57 N -3.65 0.33 0.15 0.00 8.00 -1.26 -3.19 116.55 116.93 1jwe n ASP 57 Ca -0.01 0.54 0.02 0.00 0.71 0.00 0.00 54.79 56.04 1jwe n ASP 57 Cb 0.19 -0.63 0.18 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.00 -3.83 -2.24 3.32 -1.66 -3.44 116.42 108.57 1jwe h ASP 58 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1jwe h ASP 58 Cb 0.55 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.16 1jwe h ASP 58 CO 0.00 0.54 0.23 -0.36 -1.72 0.00 0.00 179.24 177.92 1jwe s PHE 59 N -3.37 3.23 0.00 4.55 0.40 -1.19 -4.27 117.98 117.33 1jwe s PHE 59 Ca 0.01 0.70 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1jwe s PHE 59 Cb 0.11 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.78 1jwe s PHE 59 CO 0.73 -0.96 0.00 0.98 0.70 0.00 0.00 175.22 176.67 1jwe n TYR 60 N -2.70 0.00 -1.95 0.36 4.19 -1.26 -4.94 117.16 110.85 1jwe n TYR 60 Ca 0.05 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 60.94 1jwe n TYR 60 Cb 0.58 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.43 1jwe n TYR 60 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1jwe s THR 61 N -1.41 3.80 0.06 2.97 -4.23 -1.26 -4.91 115.64 110.65 1jwe s THR 61 Ca 0.00 0.81 -0.32 0.00 -1.18 0.00 0.00 61.69 61.00 1jwe s THR 61 Cb 0.00 -3.36 -0.18 0.00 1.34 0.00 0.00 72.50 70.30 1jwe s THR 61 CO 0.00 -0.54 1.55 0.03 -0.54 0.00 0.00 174.62 175.11 1jwe h ARG 62 N 0.23 -0.85 -0.36 3.99 3.08 -1.99 -1.78 114.38 116.70 1jwe h ARG 62 Ca -0.46 0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 1jwe h ARG 62 Cb 1.22 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 1jwe h ARG 62 CO 0.57 -0.55 0.00 -1.00 -1.07 0.00 0.00 179.97 177.93 1jwe h PRO 63 N -0.93 0.63 -0.53 0.04 0.13 -1.87 0.49 132.00 129.95 1jwe h PRO 63 Ca -0.09 -0.20 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1jwe h PRO 63 Cb 0.69 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 1jwe h PRO 63 CO 0.15 0.74 0.17 0.45 -0.23 0.00 0.00 178.00 179.28 1jwe h HIS 64 N 0.44 0.86 -0.17 1.56 3.86 -1.95 -0.93 115.15 118.82 1jwe h HIS 64 Ca 0.10 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1jwe h HIS 64 Cb 0.45 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1jwe h HIS 64 CO 0.04 0.73 -0.04 0.00 0.86 0.00 0.00 177.93 179.51 1jwe h ARG 65 N 0.73 0.33 -0.41 2.45 3.08 -1.10 -1.86 114.38 117.60 1jwe h ARG 65 Ca 0.17 -0.13 0.09 0.00 0.07 0.00 0.00 59.98 60.18 1jwe h ARG 65 Cb 0.27 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.22 1jwe h ARG 65 CO -0.01 0.61 -0.18 0.45 -1.07 0.00 0.00 179.97 179.77 1jwe h HIS 66 N 0.04 -0.45 -0.10 3.04 3.86 -0.73 0.94 115.15 121.75 1jwe h HIS 66 Ca 0.04 0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1jwe h HIS 66 Cb 0.48 0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1jwe h HIS 66 CO 0.05 -0.26 0.05 0.82 0.86 0.00 0.00 177.93 179.44 1jwe h ILE 67 N -0.10 0.99 -0.30 2.45 2.04 -1.15 -0.83 117.51 120.61 1jwe h ILE 67 Ca 0.20 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1jwe h ILE 67 Cb 0.41 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1jwe h ILE 67 CO -0.48 0.02 0.05 0.15 0.00 0.00 0.00 178.15 177.89 1jwe h PHE 68 N 0.10 0.08 -0.29 1.37 3.04 -0.55 0.11 116.94 120.80 1jwe h PHE 68 Ca 0.04 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1jwe h PHE 68 Cb 0.01 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 1jwe h PHE 68 CO -0.09 0.01 0.13 1.15 -2.02 0.00 0.00 178.31 177.49 1jwe h THR 69 N 0.16 0.96 -0.53 4.41 2.02 -0.56 -0.71 112.91 118.66 1jwe h THR 69 Ca 0.14 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 1jwe h THR 69 Cb 0.15 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1jwe h THR 69 CO -0.19 0.05 -0.07 -0.08 0.37 0.00 0.00 175.52 175.60 1jwe h GLU 70 N 0.28 0.98 0.14 6.66 4.57 -0.70 -0.26 114.58 126.26 1jwe h GLU 70 Ca 0.12 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1jwe h GLU 70 Cb 0.06 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1jwe h GLU 70 CO -0.10 1.02 -0.10 0.52 -1.18 0.00 0.00 179.01 179.17 1jwe h MET 71 N 0.85 -0.24 -0.61 1.92 2.86 -0.54 0.14 114.93 119.31 1jwe h MET 71 Ca 0.14 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1jwe h MET 71 Cb 0.63 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1jwe h MET 71 CO 0.04 -0.16 0.40 0.00 1.06 0.00 0.00 176.91 178.25 1jwe h ALA 72 N 0.60 0.77 -0.60 6.32 0.00 -1.06 -2.47 119.26 122.82 1jwe h ALA 72 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1jwe h ALA 72 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1jwe h ALA 72 CO 0.00 0.21 0.23 -0.09 0.00 0.00 0.00 179.25 179.59 1jwe h ARG 73 N 0.82 0.91 -0.30 0.00 2.43 -0.60 -0.80 114.38 116.83 1jwe h ARG 73 Ca 0.22 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1jwe h ARG 73 Cb -0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.29 1jwe h ARG 73 CO -0.05 0.78 0.11 -0.07 -1.51 0.00 0.00 179.97 179.24 1jwe h LEU 74 N 0.84 0.13 -1.15 3.80 3.38 -0.64 -0.70 115.31 120.97 1jwe h LEU 74 Ca 0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jwe h LEU 74 Cb 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1jwe h LEU 74 CO -0.01 0.11 0.51 -0.61 0.09 0.00 0.00 178.44 178.53 1jwe h GLN 75 N 0.25 1.09 0.00 1.13 5.75 -1.10 0.11 115.11 122.33 1jwe h GLN 75 Ca 0.13 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1jwe h GLN 75 Cb 0.10 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 1jwe h GLN 75 CO -0.13 0.75 -0.24 1.49 -2.65 0.00 0.00 178.83 178.05 1jwe h GLU 76 N 1.11 0.00 -0.63 1.69 4.81 -0.41 -0.85 114.58 120.29 1jwe h GLU 76 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1jwe h GLU 76 Cb -0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1jwe h GLU 76 CO -0.06 0.24 0.00 0.43 -0.73 0.00 0.00 179.01 178.89 1jwe n SER 77 N -4.14 5.04 -0.81 1.04 7.64 -0.34 -4.94 113.62 117.11 1jwe n SER 77 Ca -0.02 -2.74 -0.10 0.00 1.01 0.00 0.00 58.87 57.02 1jwe n SER 77 Cb 0.30 -0.64 -0.03 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.66 0.86 3.60 0.23 0.00 -0.33 -5.00 105.19 105.22 1jwe n GLY 78 Ca 0.24 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.82 4.51 1.02 1.61 0.01 0.24 -4.98 113.70 113.29 1jwe s SER 79 Ca 0.00 -0.39 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 1jwe s SER 79 Cb 0.00 -0.89 0.20 0.00 0.21 0.00 0.00 66.02 65.54 1jwe s SER 79 CO 0.00 0.15 1.08 -2.16 0.41 0.00 0.00 173.24 172.72 1jwe s PRO 80 N -2.45 0.28 -0.35 12.44 0.04 -1.26 -3.30 135.00 140.39 1jwe s PRO 80 Ca 0.24 0.58 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1jwe s PRO 80 Cb -0.10 -1.72 0.53 0.00 0.04 0.00 0.00 34.50 33.25 1jwe s PRO 80 CO 0.15 -2.84 1.57 0.44 0.04 0.00 0.00 177.00 176.36 1jwe n ILE 81 N -4.26 2.77 -1.92 0.56 -5.35 -1.26 -4.60 119.36 105.29 1jwe n ILE 81 Ca 0.05 -2.78 -0.37 0.00 -0.27 0.00 0.00 62.75 59.38 1jwe n ILE 81 Cb 0.57 -0.50 0.04 0.00 -1.74 0.00 0.00 39.64 38.01 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 -2.38 5.24 0.20 7.28 2.15 -1.26 -4.26 116.67 123.64 1jwe s ASP 82 Ca 0.49 2.55 -0.19 0.00 0.43 0.00 0.00 52.55 55.83 1jwe s ASP 82 Cb 0.43 -2.62 0.16 0.00 -0.30 0.00 0.00 42.92 40.60 1jwe s ASP 82 CO 0.02 -1.57 1.59 0.25 -0.17 0.00 0.00 175.17 175.29 1jwe h LEU 83 N 1.18 -1.06 -0.24 -1.34 7.12 -1.95 0.76 115.31 119.78 1jwe h LEU 83 Ca -0.51 0.23 -0.05 0.00 0.13 0.00 0.00 57.88 57.68 1jwe h LEU 83 Cb 1.30 0.55 -0.01 0.00 -0.53 0.00 0.00 40.66 41.97 1jwe h LEU 83 CO 0.56 -0.29 -0.06 0.40 -0.13 0.00 0.00 178.44 178.92 1jwe h ILE 84 N -0.12 1.28 -0.29 4.05 1.08 -1.98 -0.16 117.51 121.36 1jwe h ILE 84 Ca 0.26 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1jwe h ILE 84 Cb 0.55 1.49 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 1jwe h ILE 84 CO -0.70 0.33 0.03 0.74 -0.69 0.00 0.00 178.15 177.86 1jwe h THR 85 N 0.20 0.83 0.27 -0.27 2.02 -1.68 0.12 112.91 114.40 1jwe h THR 85 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1jwe h THR 85 Cb 0.52 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1jwe h THR 85 CO 0.02 0.02 -0.25 0.25 0.37 0.00 0.00 175.52 175.94 1jwe h LEU 86 N 0.13 -0.67 -0.35 2.58 5.85 -0.75 0.01 115.31 122.11 1jwe h LEU 86 Ca 0.14 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1jwe h LEU 86 Cb 0.16 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1jwe h LEU 86 CO -0.20 -0.37 0.09 0.00 -0.34 0.00 0.00 178.44 177.62 1jwe h ALA 87 N 0.10 0.39 -0.10 1.25 0.00 -0.72 -0.14 119.26 120.04 1jwe h ALA 87 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1jwe h ALA 87 Cb 0.50 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jwe h ALA 87 CO -0.04 -0.31 -0.24 0.93 0.00 0.00 0.00 179.25 179.59 1jwe h GLU 88 N 0.23 0.17 -0.02 0.00 4.39 -0.57 0.13 114.58 118.90 1jwe h GLU 88 Ca 0.16 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 1jwe h GLU 88 Cb 0.17 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1jwe h GLU 88 CO -0.19 0.40 -0.53 1.03 -1.16 0.00 0.00 179.01 178.56 1jwe h SER 89 N 0.15 0.49 -0.52 1.42 0.87 -0.36 -0.29 113.55 115.31 1jwe h SER 89 Ca 0.03 -0.74 0.07 0.00 -1.23 0.00 0.00 61.79 59.91 1jwe h SER 89 Cb 0.51 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.27 1jwe h SER 89 CO 0.04 1.17 0.20 -0.07 -0.53 0.00 0.00 176.83 177.64 1jwe h LEU 90 N -0.13 0.23 -1.09 2.23 3.38 -0.86 -1.92 115.31 117.16 1jwe h LEU 90 Ca -0.06 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1jwe h LEU 90 Cb 1.23 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1jwe h LEU 90 CO 0.10 0.16 -0.16 -0.08 0.09 0.00 0.00 178.44 178.55 1jwe h GLU 91 N 0.40 0.46 -0.69 1.13 4.81 -0.71 0.24 114.58 120.22 1jwe h GLU 91 Ca 0.25 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1jwe h GLU 91 Cb 0.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1jwe h GLU 91 CO -0.23 0.61 0.37 0.00 -0.73 0.00 0.00 179.01 179.03 1jwe h ARG 92 N 0.42 0.65 0.00 1.92 2.47 -0.29 -0.16 114.38 119.38 1jwe h ARG 92 Ca 0.07 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1jwe h ARG 92 Cb 0.53 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1jwe h ARG 92 CO 0.03 0.43 0.00 1.04 0.56 0.00 0.00 179.97 182.03 1jwe n GLN 93 N -4.80 0.26 -1.23 0.04 6.02 -0.85 -4.91 117.38 111.91 1jwe n GLN 93 Ca 0.09 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 57.05 1jwe n GLN 93 Cb 0.20 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 0.98 0.90 0.52 1.08 0.00 -0.07 -4.89 105.19 103.71 1jwe n GLY 94 Ca 0.11 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.73 1.53 -0.28 1.61 3.00 0.71 -3.94 117.38 118.29 1jwe n GLN 95 Ca -0.08 -1.05 0.05 0.00 -0.01 0.00 0.00 57.00 55.91 1jwe n GLN 95 Cb 0.39 -1.48 0.27 0.00 0.00 0.00 0.00 30.24 29.41 1jwe n GLN 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1jwe h LEU 96 N 2.57 0.85 -0.05 1.08 6.46 -1.82 -1.11 115.31 123.29 1jwe h LEU 96 Ca 0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1jwe h LEU 96 Cb 0.64 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1jwe h LEU 96 CO 0.00 0.54 0.03 -0.78 -0.62 0.00 0.00 178.44 177.61 1jwe h ASP 97 N 0.97 0.06 0.02 1.25 1.82 -1.90 -0.06 116.42 118.58 1jwe h ASP 97 Ca 0.38 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1jwe h ASP 97 Cb 0.24 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1jwe h ASP 97 CO -0.15 0.08 0.00 -1.20 -1.61 0.00 0.00 179.24 176.37 1jwe n SER 98 N -5.03 0.00 -0.07 2.28 7.64 -0.47 -0.91 113.62 117.06 1jwe n SER 98 Ca -0.06 0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.91 1jwe n SER 98 Cb 0.05 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.13 0.00 0.00 0.44 0.24 -0.91 -4.31 118.33 112.65 1jwe n VAL 99 Ca 0.01 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1jwe n VAL 99 Cb 0.01 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.62 1.30 0.00 7.63 0.00 -0.08 -4.80 105.19 109.84 1jwe n GLY 100 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.87 -0.50 0.36 -0.02 0.00 -0.05 -4.15 105.19 99.96 1jwe n GLY 101 Ca 0.00 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.32 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 1.01 -0.90 1.61 3.04 -1.97 -2.11 116.94 117.62 1jwe h PHE 102 Ca 0.00 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.06 1jwe h PHE 102 Cb 0.00 -0.33 -0.06 0.00 2.56 0.00 0.00 35.95 38.11 1jwe h PHE 102 CO 0.00 0.54 0.59 0.00 -2.02 0.00 0.00 178.31 177.41 1jwe h ALA 103 N 1.52 1.56 -0.25 2.41 0.00 -1.98 -1.37 119.26 121.15 1jwe h ALA 103 Ca 0.37 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1jwe h ALA 103 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jwe h ALA 103 CO -0.13 0.28 -0.42 -0.92 0.00 0.00 0.00 179.25 178.05 1jwe h TYR 104 N 0.97 0.73 -0.42 0.00 3.20 -1.54 -0.27 116.97 119.65 1jwe h TYR 104 Ca 0.40 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1jwe h TYR 104 Cb 0.30 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1jwe h TYR 104 CO -0.00 0.93 0.25 -0.07 -1.64 0.00 0.00 178.16 177.63 1jwe h LEU 105 N 0.50 0.50 -0.55 2.82 3.38 -1.30 -0.35 115.31 120.31 1jwe h LEU 105 Ca 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1jwe h LEU 105 Cb 0.94 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1jwe h LEU 105 CO 0.08 0.41 0.15 0.00 0.09 0.00 0.00 178.44 179.18 1jwe h ALA 106 N 1.11 0.73 0.03 1.53 0.00 -1.03 -0.93 119.26 120.70 1jwe h ALA 106 Ca 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jwe h ALA 106 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1jwe h ALA 106 CO -0.03 0.41 -0.28 1.49 0.00 0.00 0.00 179.25 180.85 1jwe h GLU 107 N 0.78 -0.42 -0.43 0.00 4.57 -0.86 -1.85 114.58 116.36 1jwe h GLU 107 Ca 0.18 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1jwe h GLU 107 Cb 0.32 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 1jwe h GLU 107 CO -0.00 -0.28 0.15 -0.07 -1.18 0.00 0.00 179.01 177.63 1jwe h LEU 108 N -0.44 0.16 -0.68 1.64 3.38 -0.84 -1.02 115.31 117.52 1jwe h LEU 108 Ca 0.05 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1jwe h LEU 108 Cb 0.51 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 1jwe h LEU 108 CO -0.22 0.13 0.32 -1.28 0.09 0.00 0.00 178.44 177.47 1jwe h SER 109 N 0.32 0.39 0.18 -0.43 0.87 -0.81 0.04 113.55 114.12 1jwe h SER 109 Ca 0.20 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1jwe h SER 109 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1jwe h SER 109 CO -0.21 0.22 -0.06 0.29 -0.53 0.00 0.00 176.83 176.55 1jwe n LYS 110 N -4.90 1.00 -0.42 2.24 4.01 -0.73 -3.87 118.16 115.48 1jwe n LYS 110 Ca 0.10 -0.36 -0.02 0.00 -0.51 0.00 0.00 58.31 57.53 1jwe n LYS 110 Cb 0.27 -1.49 0.13 0.00 -0.51 0.00 0.00 35.03 33.43 1jwe n LYS 110 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jwe n ASN 111 N -0.69 3.09 -4.05 4.39 5.15 0.00 -4.79 115.26 118.37 1jwe n ASN 111 Ca 0.18 -2.49 -0.18 0.00 -0.60 0.00 0.00 54.58 51.49 1jwe n ASN 111 Cb 0.26 -0.60 -0.14 0.00 -0.53 0.00 0.00 39.78 38.77 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 -1.59 0.76 -1.12 -0.44 2.01 -1.25 -4.22 115.64 109.79 1jwe s THR 112 Ca 0.23 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1jwe s THR 112 Cb 0.18 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 1jwe s THR 112 CO 0.06 0.08 1.93 -0.81 -0.69 0.00 0.00 174.62 175.19 1jwe n PRO 113 N 2.48 2.05 -4.08 4.92 -0.04 -1.26 -4.55 135.00 134.52 1jwe n PRO 113 Ca -0.16 -2.46 -0.43 0.00 -0.04 0.00 0.00 63.50 60.41 1jwe n PRO 113 Cb 0.56 -3.38 0.01 0.00 -0.04 0.00 0.00 33.50 30.65 1jwe n PRO 113 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jwe n SER 114 N 10.03 -3.47 0.00 3.54 3.41 -1.26 -0.57 113.62 125.31 1jwe n SER 114 Ca 0.48 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1jwe n SER 114 Cb 0.44 -1.82 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 1jwe n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jwe n ALA 115 N -4.93 0.00 -1.73 7.33 0.00 -1.26 -4.94 120.51 114.98 1jwe n ALA 115 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1jwe n ALA 115 Cb 0.58 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 0.84 2.24 -1.86 0.00 0.00 0.27 -2.69 120.51 119.30 1jwe n ALA 116 Ca 0.00 0.38 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1jwe n ALA 116 Cb 0.19 -2.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 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 2.25 -5.54 -0.05 0.00 4.13 -1.26 -4.67 115.26 110.12 1jwe n ASN 117 Ca 0.10 0.34 -0.08 0.00 1.68 0.00 0.00 54.58 56.62 1jwe n ASN 117 Cb 0.35 -4.80 -0.02 0.00 -1.54 0.00 0.00 39.78 33.77 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 0.00 0.71 -0.57 2.41 2.10 -1.86 -0.16 117.51 120.14 1jwe h ILE 118 Ca -0.44 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.47 1jwe h ILE 118 Cb 1.34 0.71 -0.03 0.00 -1.09 0.00 0.00 36.82 37.76 1jwe h ILE 118 CO 0.60 0.00 0.26 -1.28 -1.08 0.00 0.00 178.15 176.65 1jwe h SER 119 N -0.04 0.73 0.57 2.19 0.87 -1.90 0.13 113.55 116.10 1jwe h SER 119 Ca 0.12 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1jwe h SER 119 Cb 0.22 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1jwe h SER 119 CO -0.26 0.63 -0.51 0.00 -0.53 0.00 0.00 176.83 176.16 1jwe h ALA 120 N 1.48 1.10 -0.28 6.23 0.00 -1.77 0.31 119.26 126.34 1jwe h ALA 120 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1jwe h ALA 120 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jwe h ALA 120 CO -0.02 0.64 -0.31 1.88 0.00 0.00 0.00 179.25 181.43 1jwe h TYR 121 N 0.00 0.86 -0.20 0.00 0.05 -0.15 -3.16 116.97 114.37 1jwe h TYR 121 Ca -0.01 -0.27 -0.05 0.00 0.05 0.00 0.00 58.73 58.46 1jwe h TYR 121 Cb 0.93 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1jwe h TYR 121 CO 0.00 1.02 -0.08 0.00 -1.05 0.00 0.00 178.16 178.05 1jwe h ALA 122 N 0.69 1.50 -0.73 3.88 0.00 -0.12 -0.69 119.26 123.79 1jwe h ALA 122 Ca 0.04 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1jwe h ALA 122 Cb 0.89 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1jwe h ALA 122 CO 0.08 0.36 0.44 -0.44 0.00 0.00 0.00 179.25 179.68 1jwe h ASP 123 N 0.30 0.68 -0.36 0.00 3.32 -1.00 -0.33 116.42 119.03 1jwe h ASP 123 Ca 0.06 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1jwe h ASP 123 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1jwe h ASP 123 CO 0.02 0.45 0.20 0.40 -1.72 0.00 0.00 179.24 178.59 1jwe h ILE 124 N 0.82 1.14 -0.48 0.35 2.04 -1.12 -0.41 117.51 119.85 1jwe h ILE 124 Ca 0.31 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1jwe h ILE 124 Cb 0.12 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1jwe h ILE 124 CO -0.15 0.15 0.24 0.58 0.00 0.00 0.00 178.15 178.97 1jwe h VAL 125 N 0.46 1.18 -0.57 1.67 2.07 -0.85 0.66 116.25 120.88 1jwe h VAL 125 Ca 0.13 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.23 1jwe h VAL 125 Cb 0.06 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1jwe h VAL 125 CO -0.02 0.20 0.22 -0.09 0.02 0.00 0.00 177.57 177.90 1jwe h ARG 126 N 0.64 0.40 -0.42 1.57 9.65 -0.87 -0.35 114.38 124.99 1jwe h ARG 126 Ca 0.17 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1jwe h ARG 126 Cb 0.09 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 1jwe h ARG 126 CO -0.02 0.27 0.13 1.49 2.80 0.00 0.00 179.97 184.64 1jwe h GLU 127 N 0.42 0.28 -0.65 0.20 4.57 -0.23 -0.13 114.58 119.04 1jwe h GLU 127 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 1jwe h GLU 127 Cb 0.30 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1jwe h GLU 127 CO -0.26 0.19 0.42 0.00 -1.18 0.00 0.00 179.01 178.17 1jwe h ARG 128 N 0.29 0.86 -0.45 1.92 2.47 0.12 0.98 114.38 120.57 1jwe h ARG 128 Ca 0.20 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.75 1jwe h ARG 128 Cb 0.20 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1jwe h ARG 128 CO -0.22 0.58 -0.18 0.00 0.56 0.00 0.00 179.97 180.71 1jwe h ALA 129 N 1.58 0.62 -0.43 0.04 0.00 -0.14 0.16 119.26 121.09 1jwe h ALA 129 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jwe h ALA 129 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jwe h ALA 129 CO -0.05 0.57 0.22 0.28 0.00 0.00 0.00 179.25 180.28 1jwe h VAL 130 N 0.74 1.17 0.00 0.00 2.07 -0.50 -1.83 116.25 117.90 1jwe h VAL 130 Ca 0.10 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1jwe h VAL 130 Cb 0.74 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1jwe h VAL 130 CO 0.06 0.18 -0.26 0.58 0.02 0.00 0.00 177.57 178.15 1jwe h VAL 131 N 0.55 1.03 -0.76 2.57 2.07 -0.70 -0.80 116.25 120.20 1jwe h VAL 131 Ca 0.15 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1jwe h VAL 131 Cb 0.08 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1jwe h VAL 131 CO -0.02 0.25 0.48 -0.09 0.02 0.00 0.00 177.57 178.21 1jwe h ARG 132 N 0.00 1.01 -0.01 1.57 1.12 0.20 0.11 114.38 118.38 1jwe h ARG 132 Ca -0.00 -0.08 -0.10 0.00 -1.11 0.00 0.00 59.98 58.69 1jwe h ARG 132 Cb 0.51 -0.22 0.01 0.00 -0.01 0.00 0.00 29.97 30.25 1jwe h ARG 132 CO 0.03 0.69 -0.38 1.05 -3.11 0.00 0.00 179.97 178.25 1jwe h GLU 133 N 1.03 0.28 -2.39 0.20 4.11 -1.29 -3.39 114.58 113.13 1jwe h GLU 133 Ca 0.28 -0.28 -0.69 0.00 0.07 0.00 0.00 59.36 58.73 1jwe h GLU 133 Cb -0.08 0.08 -0.36 0.00 0.50 0.00 0.00 28.75 28.89 1jwe h GLU 133 CO -0.06 0.99 0.04 -1.33 0.07 0.00 0.00 179.01 178.71 1jwe n MET 134 N -4.39 3.78 -0.75 1.06 2.81 -0.33 -5.07 117.12 114.24 1jwe n MET 134 Ca -0.10 -4.71 -0.30 0.00 -1.81 0.00 0.00 57.70 50.78 1jwe n MET 134 Cb 0.56 -2.35 0.17 0.00 -0.71 0.00 0.00 33.22 30.90 1jwe n MET 134 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1jwe s ILE 135 N -3.52 2.21 -1.40 2.02 -4.36 0.35 -4.52 121.20 111.98 1jwe s ILE 135 Ca 0.40 0.07 0.11 0.00 -0.26 0.00 0.00 60.65 60.97 1jwe s ILE 135 Cb 0.17 -2.16 0.09 0.00 1.25 0.00 0.00 42.46 41.81 1jwe s ILE 135 CO -0.05 -0.09 0.85 -1.54 0.24 0.00 0.00 174.94 174.36