#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 1.51 0.32 0.03 2.36 -1.26 -5.12 119.74 117.58 1jwe s LYS 24 Ca 0.00 -0.28 -0.30 0.00 -2.55 0.00 0.00 55.97 52.85 1jwe s LYS 24 Cb 0.00 -1.48 -0.11 0.00 -1.05 0.00 0.00 37.83 35.19 1jwe s LYS 24 CO 0.00 -0.18 1.58 0.08 1.55 0.00 0.00 175.35 178.38 1jwe s VAL 25 N 1.39 2.02 0.88 4.02 1.01 -1.26 -4.98 120.40 123.47 1jwe s VAL 25 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1jwe s VAL 25 Cb -0.14 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.36 1jwe s VAL 25 CO -0.04 0.00 1.10 -2.16 0.00 0.00 0.00 175.10 174.00 1jwe s PRO 26 N -0.88 1.32 -0.85 2.72 0.04 -1.26 -4.84 135.00 131.26 1jwe s PRO 26 Ca 0.61 1.17 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1jwe s PRO 26 Cb -0.48 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1jwe s PRO 26 CO 0.52 -2.30 1.90 -1.25 0.04 0.00 0.00 177.00 175.91 1jwe s PRO 27 N -4.79 2.63 -0.06 0.56 0.04 -1.26 -4.81 135.00 127.31 1jwe s PRO 27 Ca 0.64 -0.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.22 1jwe s PRO 27 Cb -0.20 -4.93 0.08 0.00 0.04 0.00 0.00 34.50 29.49 1jwe s PRO 27 CO 0.58 -3.17 0.73 -3.38 0.04 0.00 0.00 177.00 171.80 1jwe s HIS 28 N 9.57 -0.61 -0.71 0.56 -3.43 -1.26 -4.49 115.29 114.92 1jwe s HIS 28 Ca 0.68 1.02 0.05 0.00 -0.80 0.00 0.00 55.06 56.00 1jwe s HIS 28 Cb -0.08 0.42 0.17 0.00 -1.43 0.00 0.00 32.58 31.67 1jwe s HIS 28 CO 0.03 -0.57 0.51 0.43 -2.00 0.00 0.00 174.74 173.14 1jwe n SER 29 N 0.83 3.05 -0.26 7.38 7.64 -1.26 -4.98 113.62 126.02 1jwe n SER 29 Ca -0.17 -3.22 0.05 0.00 1.01 0.00 0.00 58.87 56.54 1jwe n SER 29 Cb 0.57 -0.76 0.19 0.00 -1.01 0.00 0.00 64.21 63.21 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 4.33 0.67 -0.12 0.44 2.04 -1.98 0.45 117.51 123.33 1jwe h ILE 30 Ca 0.15 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1jwe h ILE 30 Cb 0.75 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1jwe h ILE 30 CO 0.72 0.09 -0.27 -0.33 0.00 0.00 0.00 178.15 178.36 1jwe h GLU 31 N 0.48 0.22 -0.51 2.37 5.08 -1.98 0.21 114.58 120.44 1jwe h GLU 31 Ca 0.42 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1jwe h GLU 31 Cb 0.63 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1jwe h GLU 31 CO -0.39 0.48 -0.09 0.00 -1.00 0.00 0.00 179.01 178.01 1jwe h ALA 32 N 1.53 0.87 -0.69 3.43 0.00 -1.35 0.11 119.26 123.15 1jwe h ALA 32 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1jwe h ALA 32 Cb 0.59 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jwe h ALA 32 CO 0.04 0.64 0.46 0.93 0.00 0.00 0.00 179.25 181.32 1jwe h GLU 33 N 0.84 0.91 -0.15 0.00 5.08 -0.17 -0.94 114.58 120.14 1jwe h GLU 33 Ca 0.14 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1jwe h GLU 33 Cb 0.62 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1jwe h GLU 33 CO 0.04 0.60 0.08 1.96 -1.00 0.00 0.00 179.01 180.69 1jwe h GLN 34 N 0.93 0.17 -0.83 2.33 4.20 -0.39 -2.37 115.11 119.15 1jwe h GLN 34 Ca 0.26 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 59.06 1jwe h GLN 34 Cb -0.10 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 1jwe h GLN 34 CO -0.06 0.11 0.47 0.77 -0.67 0.00 0.00 178.83 179.45 1jwe h SER 35 N 0.17 0.65 0.58 1.46 0.02 -0.22 0.23 113.55 116.44 1jwe h SER 35 Ca 0.06 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1jwe h SER 35 Cb 0.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1jwe h SER 35 CO -0.04 0.35 -0.33 0.58 -1.14 0.00 0.00 176.83 176.26 1jwe h VAL 36 N 0.76 0.33 -0.28 2.27 2.07 -0.95 0.19 116.25 120.65 1jwe h VAL 36 Ca 0.41 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.97 1jwe h VAL 36 Cb 0.42 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 1jwe h VAL 36 CO -0.27 0.00 0.04 -0.07 0.02 0.00 0.00 177.57 177.29 1jwe h LEU 37 N -0.85 -0.02 -0.91 2.57 3.38 -0.75 -1.06 115.31 117.67 1jwe h LEU 37 Ca -0.07 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jwe h LEU 37 Cb 0.67 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1jwe h LEU 37 CO 0.10 0.02 0.56 1.23 0.09 0.00 0.00 178.44 180.44 1jwe h GLY 38 N 0.14 1.32 2.00 0.83 0.00 -0.98 -2.79 103.07 103.59 1jwe h GLY 38 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1jwe h GLY 38 CO -0.19 0.53 -0.45 -1.33 0.00 0.00 0.00 176.54 175.10 1jwe h GLY 39 N 1.26 0.00 1.61 4.60 0.00 0.01 -1.69 103.07 108.86 1jwe h GLY 39 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.53 1jwe h GLY 39 CO -0.06 0.00 -0.41 1.41 0.00 0.00 0.00 176.54 177.47 1jwe h LEU 40 N 0.00 0.45 -0.57 3.11 3.38 -0.97 0.07 115.31 120.78 1jwe h LEU 40 Ca -0.00 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1jwe h LEU 40 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1jwe h LEU 40 CO 0.06 0.82 -0.25 0.24 0.09 0.00 0.00 178.44 179.39 1jwe h MET 41 N 0.35 0.87 -0.10 1.13 2.86 -1.28 -2.35 114.93 116.43 1jwe h MET 41 Ca 0.03 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.19 1jwe h MET 41 Cb 0.88 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1jwe h MET 41 CO 0.07 1.02 -0.39 -0.07 1.06 0.00 0.00 176.91 178.60 1jwe h LEU 42 N 0.75 0.21 -6.15 1.22 3.38 -0.94 -3.41 115.31 110.37 1jwe h LEU 42 Ca 0.09 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1jwe h LEU 42 Cb 0.80 -0.06 -0.25 0.00 0.09 0.00 0.00 40.66 41.25 1jwe h LEU 42 CO 0.07 0.59 -0.46 -0.62 0.09 0.00 0.00 178.44 178.11 1jwe s ASP 43 N -6.88 -0.63 0.24 -0.43 2.15 -0.02 -4.95 116.67 106.14 1jwe s ASP 43 Ca -0.04 -0.10 0.22 0.00 0.43 0.00 0.00 52.55 53.06 1jwe s ASP 43 Cb 0.14 1.58 0.95 0.00 -0.30 0.00 0.00 42.92 45.28 1jwe s ASP 43 CO 0.76 -0.33 1.68 -0.46 -0.17 0.00 0.00 175.17 176.65 1jwe n ASN 44 N 5.39 0.59 0.26 -0.34 0.23 -0.89 -1.74 115.26 118.76 1jwe n ASN 44 Ca 0.03 0.66 0.13 0.00 -0.53 0.00 0.00 54.58 54.87 1jwe n ASN 44 Cb 0.52 -0.78 0.68 0.00 -2.08 0.00 0.00 39.78 38.12 1jwe n ASN 44 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1jwe h GLU 45 N 0.00 0.00 0.00 -3.83 5.08 -1.95 -1.69 114.58 112.19 1jwe h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 0.13 0.00 0.54 -1.00 0.00 0.00 179.01 178.68 1jwe n ARG 46 N -3.46 0.39 -0.18 2.33 5.12 -0.71 -2.91 116.66 117.24 1jwe n ARG 46 Ca -0.01 0.07 -0.01 0.00 -1.93 0.00 0.00 57.85 55.97 1jwe n ARG 46 Cb 0.29 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.06 0.00 -1.55 2.91 -1.47 -0.16 115.95 115.61 1jwe h TRP 47 Ca 0.00 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 1jwe h TRP 47 Cb 0.15 0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1jwe h TRP 47 CO 0.00 -0.15 -0.17 -0.44 -1.03 0.00 0.00 178.44 176.66 1jwe h ASP 48 N 0.10 0.00 0.01 2.65 5.19 -1.76 0.39 116.42 123.01 1jwe h ASP 48 Ca 0.28 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1jwe h ASP 48 Cb 0.44 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1jwe h ASP 48 CO -0.48 0.17 -0.01 -0.78 -3.12 0.00 0.00 179.24 175.02 1jwe h ASP 49 N 0.00 -0.01 -0.08 6.45 3.58 -1.55 -3.04 116.42 121.76 1jwe h ASP 49 Ca -0.00 -0.74 -0.01 0.00 0.42 0.00 0.00 57.03 56.70 1jwe h ASP 49 Cb 0.42 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1jwe h ASP 49 CO 0.02 0.84 0.02 0.58 -2.88 0.00 0.00 179.24 177.82 1jwe h VAL 50 N -0.97 1.18 0.00 2.25 2.07 -0.83 -1.62 116.25 118.33 1jwe h VAL 50 Ca -0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1jwe h VAL 50 Cb 0.75 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1jwe h VAL 50 CO 0.00 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1jwe h ALA 51 N 0.83 1.00 -0.00 1.67 0.00 -0.39 0.36 119.26 122.73 1jwe h ALA 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jwe h ALA 51 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jwe h ALA 51 CO -0.00 0.00 -0.32 0.39 0.00 0.00 0.00 179.25 179.32 1jwe n GLU 52 N -3.00 0.37 -0.09 0.00 -0.58 -0.89 -4.01 120.64 112.44 1jwe n GLU 52 Ca -0.01 -0.19 -0.17 0.00 -0.42 0.00 0.00 57.16 56.36 1jwe n GLU 52 Cb 0.17 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.42 1jwe n GLU 52 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1jwe n ARG 53 N -1.14 0.68 -4.20 3.49 5.12 0.53 -5.06 116.66 116.08 1jwe n ARG 53 Ca 0.09 0.16 -0.12 0.00 -1.93 0.00 0.00 57.85 56.05 1jwe n ARG 53 Cb 0.33 -1.57 -0.10 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.53 0.00 0.11 1.55 -7.23 0.96 -4.77 120.40 108.50 1jwe s VAL 54 Ca -0.28 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 57.92 1jwe s VAL 54 Cb 0.08 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1jwe s VAL 54 CO 0.67 0.00 -0.03 0.68 -0.31 0.00 0.00 175.10 176.12 1jwe s VAL 55 N -4.11 0.53 0.62 1.32 -7.23 -1.26 -4.25 120.40 106.02 1jwe s VAL 55 Ca 0.38 -1.92 0.33 0.00 -1.81 0.00 0.00 61.98 58.96 1jwe s VAL 55 Cb 0.06 -1.80 0.37 0.00 0.56 0.00 0.00 36.38 35.57 1jwe s VAL 55 CO 0.13 -0.75 2.17 0.00 -0.31 0.00 0.00 175.10 176.34 1jwe h ALA 56 N 2.92 1.52 0.00 1.32 0.00 -1.94 0.35 119.26 123.43 1jwe h ALA 56 Ca -0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1jwe h ALA 56 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jwe h ALA 56 CO 0.64 -0.18 -0.05 -0.44 0.00 0.00 0.00 179.25 179.22 1jwe h ASP 57 N 0.00 0.00 0.07 0.00 3.32 -1.99 -2.40 116.42 115.42 1jwe h ASP 57 Ca 0.04 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 1jwe h ASP 57 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jwe h ASP 57 CO -0.00 0.05 -0.77 0.44 -1.72 0.00 0.00 179.24 177.24 1jwe h ASP 58 N 0.00 0.71 -2.58 6.45 3.32 -1.33 -3.44 116.42 119.56 1jwe h ASP 58 Ca -0.00 -0.47 -0.56 0.00 0.02 0.00 0.00 57.03 56.01 1jwe h ASP 58 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1jwe h ASP 58 CO 0.01 1.24 1.19 -0.36 -1.72 0.00 0.00 179.24 179.61 1jwe s PHE 59 N -3.66 1.83 0.02 4.55 0.40 -0.90 -4.62 117.98 115.60 1jwe s PHE 59 Ca -0.08 0.36 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1jwe s PHE 59 Cb 0.09 -4.01 -0.29 0.00 0.51 0.00 0.00 43.02 39.33 1jwe s PHE 59 CO 0.87 -3.60 1.05 -0.92 0.70 0.00 0.00 175.22 173.33 1jwe h TYR 60 N 11.24 0.84 -3.10 0.36 3.20 -1.85 -3.46 116.97 124.21 1jwe h TYR 60 Ca -0.38 -0.54 -0.57 0.00 3.14 0.00 0.00 58.73 60.39 1jwe h TYR 60 Cb 1.18 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1jwe h TYR 60 CO 0.92 1.39 1.03 0.99 -1.64 0.00 0.00 178.16 180.85 1jwe s THR 61 N -2.90 3.99 0.17 1.81 2.01 -1.26 -4.95 115.64 114.51 1jwe s THR 61 Ca -0.11 1.09 -0.22 0.00 0.31 0.00 0.00 61.69 62.76 1jwe s THR 61 Cb 0.04 -4.07 0.09 0.00 0.01 0.00 0.00 72.50 68.57 1jwe s THR 61 CO 0.89 -0.51 1.60 0.03 -0.69 0.00 0.00 174.62 175.94 1jwe h ARG 62 N 9.97 -0.20 -0.56 4.92 3.08 -1.99 0.16 114.38 129.76 1jwe h ARG 62 Ca -0.28 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1jwe h ARG 62 Cb 1.11 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1jwe h ARG 62 CO 1.04 -0.13 0.18 -1.00 -1.07 0.00 0.00 179.97 178.99 1jwe h PRO 63 N -0.21 0.83 -0.48 0.04 0.13 -1.92 -0.25 132.00 130.14 1jwe h PRO 63 Ca 0.20 -0.15 -0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1jwe h PRO 63 Cb 0.53 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1jwe h PRO 63 CO -0.59 0.72 -0.14 0.45 -0.23 0.00 0.00 178.00 178.21 1jwe h HIS 64 N 0.82 1.02 0.14 1.56 3.86 -1.64 -2.53 115.15 118.37 1jwe h HIS 64 Ca 0.19 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1jwe h HIS 64 Cb 0.22 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1jwe h HIS 64 CO 0.01 0.98 -0.07 0.00 0.86 0.00 0.00 177.93 179.72 1jwe h ARG 65 N 0.81 -0.18 -0.61 2.45 3.08 -0.21 -1.70 114.38 118.02 1jwe h ARG 65 Ca 0.12 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.29 1jwe h ARG 65 Cb 0.68 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.65 1jwe h ARG 65 CO 0.05 -0.08 -0.34 0.45 -1.07 0.00 0.00 179.97 178.98 1jwe h HIS 66 N -0.23 -0.95 0.36 3.04 3.86 -0.95 0.33 115.15 120.61 1jwe h HIS 66 Ca -0.02 0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1jwe h HIS 66 Cb 0.18 0.51 0.00 0.00 1.06 0.00 0.00 27.41 29.16 1jwe h HIS 66 CO -0.05 -0.38 -0.19 0.82 0.86 0.00 0.00 177.93 178.98 1jwe h ILE 67 N -0.16 0.62 -0.58 2.45 2.04 -1.30 -0.65 117.51 119.92 1jwe h ILE 67 Ca 0.24 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.11 1jwe h ILE 67 Cb 0.55 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1jwe h ILE 67 CO -0.69 0.00 0.39 0.15 0.00 0.00 0.00 178.15 177.99 1jwe h PHE 68 N -0.51 0.70 -0.30 1.37 3.04 -0.72 -0.55 116.94 119.96 1jwe h PHE 68 Ca -0.05 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.87 1jwe h PHE 68 Cb 0.40 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 1jwe h PHE 68 CO -0.06 0.42 -0.01 1.15 -2.02 0.00 0.00 178.31 177.80 1jwe h THR 69 N 0.74 1.26 0.00 4.41 2.02 0.08 -0.69 112.91 120.73 1jwe h THR 69 Ca 0.22 -0.96 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 1jwe h THR 69 Cb -0.00 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1jwe h THR 69 CO -0.06 0.31 -0.40 -0.08 0.37 0.00 0.00 175.52 175.67 1jwe h GLU 70 N 0.33 0.00 0.35 6.66 4.57 -0.47 0.23 114.58 126.25 1jwe h GLU 70 Ca 0.09 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1jwe h GLU 70 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1jwe h GLU 70 CO 0.02 0.40 -0.17 0.52 -1.18 0.00 0.00 179.01 178.59 1jwe h MET 71 N 0.00 -0.46 -0.63 1.92 2.86 -0.91 0.58 114.93 118.29 1jwe h MET 71 Ca -0.00 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1jwe h MET 71 Cb 0.84 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.58 1jwe h MET 71 CO 0.05 -0.30 0.42 0.00 1.06 0.00 0.00 176.91 178.14 1jwe h ALA 72 N 0.19 1.55 0.05 6.32 0.00 -0.65 -0.72 119.26 125.99 1jwe h ALA 72 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jwe h ALA 72 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jwe h ALA 72 CO 0.07 0.41 -0.02 -0.09 0.00 0.00 0.00 179.25 179.62 1jwe h ARG 73 N 0.85 -0.06 -0.24 0.00 9.65 -0.26 0.01 114.38 124.33 1jwe h ARG 73 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1jwe h ARG 73 Cb -0.09 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1jwe h ARG 73 CO -0.05 0.07 0.16 -0.07 2.80 0.00 0.00 179.97 182.87 1jwe h LEU 74 N -0.17 0.28 -1.05 3.80 3.38 -0.53 -2.14 115.31 118.87 1jwe h LEU 74 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jwe h LEU 74 Cb 0.15 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jwe h LEU 74 CO 0.01 0.21 0.29 -0.61 0.09 0.00 0.00 178.44 178.42 1jwe h GLN 75 N 0.32 0.96 -0.61 1.13 5.75 -1.05 -0.10 115.11 121.51 1jwe h GLN 75 Ca 0.09 -0.15 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1jwe h GLN 75 Cb -0.03 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 1jwe h GLN 75 CO -0.02 0.77 0.40 1.49 -2.65 0.00 0.00 178.83 178.82 1jwe h GLU 76 N 0.95 0.80 -0.02 1.69 4.81 -0.71 -0.09 114.58 122.01 1jwe h GLU 76 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1jwe h GLU 76 Cb 0.15 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1jwe h GLU 76 CO -0.02 0.53 0.00 -1.13 -0.73 0.00 0.00 179.01 177.65 1jwe n SER 77 N -4.44 0.54 -0.14 1.04 3.41 -0.28 -4.90 113.62 108.83 1jwe n SER 77 Ca 0.06 -1.24 -0.01 0.00 -0.26 0.00 0.00 58.87 57.41 1jwe n SER 77 Cb 0.04 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.03 0.35 3.35 5.00 0.00 -0.05 -5.05 105.19 109.82 1jwe n GLY 78 Ca 0.21 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.95 3.13 0.65 1.61 0.01 -0.21 -4.98 113.70 110.95 1jwe s SER 79 Ca 0.00 -0.65 -0.17 0.00 1.31 0.00 0.00 55.95 56.45 1jwe s SER 79 Cb 0.00 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1jwe s SER 79 CO 0.00 0.21 1.17 -2.16 0.41 0.00 0.00 173.24 172.87 1jwe s PRO 80 N -1.57 2.73 -0.13 12.44 0.04 -1.26 -3.09 135.00 144.15 1jwe s PRO 80 Ca 0.12 1.64 0.11 0.00 0.04 0.00 0.00 61.00 62.91 1jwe s PRO 80 Cb -0.10 -1.92 0.55 0.00 0.04 0.00 0.00 34.50 33.07 1jwe s PRO 80 CO 0.04 -1.36 1.37 0.44 0.04 0.00 0.00 177.00 177.53 1jwe n ILE 81 N -2.14 1.67 -1.57 0.56 -5.35 -1.26 -4.54 119.36 106.74 1jwe n ILE 81 Ca 0.12 -0.91 -0.34 0.00 -0.27 0.00 0.00 62.75 61.34 1jwe n ILE 81 Cb 0.51 -0.20 0.08 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.63 4.46 0.16 7.28 -1.08 -1.26 -4.58 116.67 121.02 1jwe s ASP 82 Ca 0.37 2.33 -0.28 0.00 -0.52 0.00 0.00 52.55 54.45 1jwe s ASP 82 Cb 0.27 -2.59 -0.01 0.00 -1.46 0.00 0.00 42.92 39.13 1jwe s ASP 82 CO 0.14 -2.08 1.55 0.25 0.52 0.00 0.00 175.17 175.55 1jwe h LEU 83 N -0.05 -1.76 -0.38 -1.34 7.12 -1.92 0.82 115.31 117.79 1jwe h LEU 83 Ca -0.48 0.27 -0.06 0.00 0.13 0.00 0.00 57.88 57.74 1jwe h LEU 83 Cb 1.29 0.78 -0.01 0.00 -0.53 0.00 0.00 40.66 42.19 1jwe h LEU 83 CO 0.51 -0.33 0.02 0.40 -0.13 0.00 0.00 178.44 178.91 1jwe h ILE 84 N -0.21 1.26 -0.19 4.05 1.08 -1.98 0.36 117.51 121.88 1jwe h ILE 84 Ca 0.16 -0.97 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 1jwe h ILE 84 Cb 0.54 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 1jwe h ILE 84 CO -0.75 0.33 0.12 0.74 -0.69 0.00 0.00 178.15 177.90 1jwe h THR 85 N 0.49 1.04 -0.16 -0.27 2.02 -1.63 -1.52 112.91 112.89 1jwe h THR 85 Ca 0.11 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1jwe h THR 85 Cb 0.44 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 1jwe h THR 85 CO 0.02 0.05 0.09 0.25 0.37 0.00 0.00 175.52 176.29 1jwe h LEU 86 N 0.25 0.19 0.07 2.58 5.85 -0.59 0.60 115.31 124.26 1jwe h LEU 86 Ca 0.07 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1jwe h LEU 86 Cb -0.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1jwe h LEU 86 CO -0.02 0.21 -0.11 0.00 -0.34 0.00 0.00 178.44 178.17 1jwe h ALA 87 N 0.99 -0.19 -0.31 1.25 0.00 -0.82 0.50 119.26 120.68 1jwe h ALA 87 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1jwe h ALA 87 Cb 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1jwe h ALA 87 CO -0.01 -0.63 -0.09 0.93 0.00 0.00 0.00 179.25 179.46 1jwe h GLU 88 N -0.23 0.51 -0.16 0.00 5.08 -1.11 -1.26 114.58 117.41 1jwe h GLU 88 Ca 0.02 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 1jwe h GLU 88 Cb 0.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jwe h GLU 88 CO -0.06 0.60 -0.67 1.03 -1.00 0.00 0.00 179.01 178.91 1jwe h SER 89 N 0.48 0.74 -0.99 1.42 0.87 -0.52 0.16 113.55 115.71 1jwe h SER 89 Ca 0.09 -0.45 0.02 0.00 -1.23 0.00 0.00 61.79 60.22 1jwe h SER 89 Cb 0.44 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1jwe h SER 89 CO 0.02 1.21 0.66 -0.07 -0.53 0.00 0.00 176.83 178.12 1jwe h LEU 90 N 0.46 1.13 -0.95 2.23 3.38 -0.69 -0.74 115.31 120.13 1jwe h LEU 90 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1jwe h LEU 90 Cb 1.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1jwe h LEU 90 CO 0.13 0.81 -0.09 -0.08 0.09 0.00 0.00 178.44 179.30 1jwe h GLU 91 N 1.33 0.67 -0.72 1.13 4.81 -0.62 0.24 114.58 121.42 1jwe h GLU 91 Ca 0.37 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jwe h GLU 91 Cb -0.13 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1jwe h GLU 91 CO -0.09 0.75 0.44 0.00 -0.73 0.00 0.00 179.01 179.38 1jwe h ARG 92 N 0.62 0.98 -0.00 1.92 2.47 0.03 -0.09 114.38 120.31 1jwe h ARG 92 Ca 0.11 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1jwe h ARG 92 Cb 0.51 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1jwe h ARG 92 CO 0.03 0.69 -0.00 1.04 0.56 0.00 0.00 179.97 182.29 1jwe n GLN 93 N -4.53 0.75 -3.50 0.04 6.02 -0.35 -4.94 117.38 110.87 1jwe n GLN 93 Ca 0.06 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.80 1jwe n GLN 93 Cb 0.05 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.87 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 1.13 -0.53 0.00 1.08 0.00 0.20 -4.89 105.19 102.18 1jwe n GLY 94 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.64 1.19 0.02 1.61 6.02 0.60 -4.78 117.38 117.40 1jwe n GLN 95 Ca -0.02 -1.00 -0.12 0.00 -0.01 0.00 0.00 57.00 55.86 1jwe n GLN 95 Cb 0.57 -0.95 -0.06 0.00 1.02 0.00 0.00 30.24 30.82 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 0.05 -1.16 1.08 5.85 -1.79 -2.63 115.31 116.70 1jwe h LEU 96 Ca 0.00 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1jwe h LEU 96 Cb 0.34 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1jwe h LEU 96 CO 0.00 0.06 -0.34 -0.78 -0.34 0.00 0.00 178.44 177.05 1jwe h ASP 97 N 0.04 0.00 -0.68 1.25 3.58 -1.90 -0.68 116.42 118.03 1jwe h ASP 97 Ca 0.02 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.53 1jwe h ASP 97 Cb 0.02 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.03 1jwe h ASP 97 CO -0.00 0.34 0.45 0.28 -2.88 0.00 0.00 179.24 177.42 1jwe h SER 98 N 0.00 0.62 0.41 2.28 0.02 -1.79 -1.46 113.55 113.64 1jwe h SER 98 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jwe h SER 98 Cb 0.76 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1jwe h SER 98 CO 0.04 0.41 -0.10 1.33 -1.14 0.00 0.00 176.83 177.38 1jwe n VAL 99 N -4.48 0.00 0.00 2.27 0.24 -1.06 -4.83 118.33 110.47 1jwe n VAL 99 Ca 0.10 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1jwe n VAL 99 Cb 0.21 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 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 1.29 1.13 0.00 7.63 0.00 -0.55 -4.82 105.19 109.87 1jwe n GLY 100 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.12 -0.50 0.37 -0.02 0.00 -0.29 -3.13 105.19 100.50 1jwe n GLY 101 Ca 0.00 -1.80 0.10 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 0.77 -0.53 1.61 3.04 -1.95 -2.36 116.94 117.52 1jwe h PHE 102 Ca 0.00 0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.05 1jwe h PHE 102 Cb 0.00 -0.25 -0.06 0.00 2.56 0.00 0.00 35.95 38.20 1jwe h PHE 102 CO 0.00 0.33 0.17 0.00 -2.02 0.00 0.00 178.31 176.79 1jwe h ALA 103 N 1.60 0.64 -0.63 2.41 0.00 -1.97 0.13 119.26 121.45 1jwe h ALA 103 Ca 0.40 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.32 1jwe h ALA 103 Cb 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jwe h ALA 103 CO -0.16 -0.23 0.13 -0.92 0.00 0.00 0.00 179.25 178.07 1jwe h TYR 104 N 0.34 1.08 -0.42 0.00 3.20 -1.37 -1.38 116.97 118.42 1jwe h TYR 104 Ca 0.26 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1jwe h TYR 104 Cb 0.30 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1jwe h TYR 104 CO -0.18 0.91 0.27 -0.07 -1.64 0.00 0.00 178.16 177.45 1jwe h LEU 105 N 0.94 0.46 -1.43 2.82 3.38 -1.21 -1.11 115.31 119.17 1jwe h LEU 105 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1jwe h LEU 105 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jwe h LEU 105 CO 0.01 0.33 -0.19 0.00 0.09 0.00 0.00 178.44 178.68 1jwe h ALA 106 N 1.16 1.53 0.60 1.53 0.00 -0.39 -0.18 119.26 123.50 1jwe h ALA 106 Ca 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jwe h ALA 106 Cb -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jwe h ALA 106 CO -0.04 0.34 -0.29 1.49 0.00 0.00 0.00 179.25 180.75 1jwe h GLU 107 N 0.13 -0.77 -0.50 0.00 4.57 -0.90 -3.03 114.58 114.07 1jwe h GLU 107 Ca 0.02 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1jwe h GLU 107 Cb 0.42 0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.10 1jwe h GLU 107 CO 0.03 -0.46 0.01 -0.07 -1.18 0.00 0.00 179.01 177.34 1jwe h LEU 108 N -1.03 -0.19 -0.74 1.64 3.38 -0.75 -1.35 115.31 116.27 1jwe h LEU 108 Ca -0.08 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1jwe h LEU 108 Cb 0.67 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1jwe h LEU 108 CO 0.13 -0.06 0.43 -1.28 0.09 0.00 0.00 178.44 177.75 1jwe h SER 109 N 0.13 0.64 0.38 -0.43 0.87 -1.12 -1.83 113.55 112.19 1jwe h SER 109 Ca 0.26 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1jwe h SER 109 Cb 0.38 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1jwe h SER 109 CO -0.41 0.40 -0.58 0.50 -0.53 0.00 0.00 176.83 176.21 1jwe h LYS 110 N 0.77 0.20 -0.93 2.24 3.64 -1.15 -3.31 116.57 118.03 1jwe h LYS 110 Ca 0.33 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1jwe h LYS 110 Cb 0.21 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1jwe h LYS 110 CO -0.19 0.73 0.02 0.09 -2.27 0.00 0.00 179.45 177.82 1jwe n ASN 111 N -3.88 2.07 -4.16 4.20 3.02 -0.69 -4.65 115.26 111.17 1jwe n ASN 111 Ca -0.02 -2.20 -0.30 0.00 -0.03 0.00 0.00 54.58 52.04 1jwe n ASN 111 Cb 0.60 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.26 1.76 -1.19 3.41 2.01 -1.24 -4.68 115.64 114.45 1jwe s THR 112 Ca 0.11 -0.84 -0.21 0.00 0.31 0.00 0.00 61.69 61.05 1jwe s THR 112 Cb 0.08 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1jwe s THR 112 CO 0.03 0.49 1.83 -2.16 -0.69 0.00 0.00 174.62 174.12 1jwe s PRO 113 N 0.44 3.11 -1.30 4.92 0.04 -1.26 -4.49 135.00 136.45 1jwe s PRO 113 Ca -0.17 -1.38 -0.19 0.00 0.04 0.00 0.00 61.00 59.30 1jwe s PRO 113 Cb -0.17 -5.34 0.03 0.00 0.04 0.00 0.00 34.50 29.05 1jwe s PRO 113 CO 0.07 -3.19 0.35 0.43 0.04 0.00 0.00 177.00 174.70 1jwe n SER 114 N 11.84 -1.71 0.00 6.66 7.64 -1.26 -1.62 113.62 135.17 1jwe n SER 114 Ca 0.45 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1jwe n SER 114 Cb 0.47 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 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 -4.69 0.00 -0.26 -0.43 0.00 -1.26 -4.91 120.51 108.96 1jwe n ALA 115 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1jwe n ALA 115 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.80 0.00 0.00 -0.64 -1.96 120.51 114.10 1jwe n ALA 116 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1jwe n ALA 116 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jwe n ALA 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jwe s ASN 117 N -4.00 5.26 0.17 0.00 3.84 -1.26 -4.91 114.94 114.03 1jwe s ASN 117 Ca 0.00 -3.77 -0.06 0.00 0.21 0.00 0.00 52.86 49.24 1jwe s ASN 117 Cb 0.00 -1.74 0.05 0.00 -0.55 0.00 0.00 41.25 39.01 1jwe s ASN 117 CO 0.00 -0.13 1.48 -0.29 -2.79 0.00 0.00 177.10 175.38 1jwe h ILE 118 N 4.32 1.30 -0.50 -5.21 6.09 -1.80 -0.31 117.51 121.40 1jwe h ILE 118 Ca 0.14 -1.73 0.06 0.00 -1.37 0.00 0.00 64.86 61.95 1jwe h ILE 118 Cb 0.78 1.67 -0.05 0.00 0.47 0.00 0.00 36.82 39.69 1jwe h ILE 118 CO 0.77 0.55 0.22 0.28 -3.07 0.00 0.00 178.15 176.90 1jwe h SER 119 N 0.53 0.28 -0.60 2.19 0.02 -1.91 0.15 113.55 114.22 1jwe h SER 119 Ca 0.02 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 1jwe h SER 119 Cb 1.08 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1jwe h SER 119 CO 0.11 0.19 0.02 0.00 -1.14 0.00 0.00 176.83 176.01 1jwe h ALA 120 N 1.30 0.81 -0.39 3.77 0.00 -1.91 0.14 119.26 122.98 1jwe h ALA 120 Ca 0.23 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jwe h ALA 120 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jwe h ALA 120 CO -0.20 0.63 0.13 1.88 0.00 0.00 0.00 179.25 181.70 1jwe h TYR 121 N 0.95 0.61 -0.37 0.00 0.05 -0.39 -2.01 116.97 115.80 1jwe h TYR 121 Ca 0.17 -0.06 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1jwe h TYR 121 Cb 0.53 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.08 1jwe h TYR 121 CO 0.04 0.57 -0.11 0.00 -1.05 0.00 0.00 178.16 177.61 1jwe h ALA 122 N 0.98 1.12 -0.81 3.88 0.00 -0.51 -2.51 119.26 121.40 1jwe h ALA 122 Ca 0.13 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jwe h ALA 122 Cb 0.23 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1jwe h ALA 122 CO -0.01 0.55 0.52 -0.44 0.00 0.00 0.00 179.25 179.87 1jwe h ASP 123 N 0.59 0.84 0.27 0.00 3.32 -0.44 0.71 116.42 121.71 1jwe h ASP 123 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1jwe h ASP 123 Cb 0.53 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jwe h ASP 123 CO 0.03 0.57 -0.19 0.40 -1.72 0.00 0.00 179.24 178.33 1jwe h ILE 124 N 0.99 0.59 -0.44 0.35 2.04 -0.95 0.86 117.51 120.95 1jwe h ILE 124 Ca 0.33 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.25 1jwe h ILE 124 Cb 0.04 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1jwe h ILE 124 CO -0.12 0.00 0.15 0.58 0.00 0.00 0.00 178.15 178.75 1jwe h VAL 125 N -0.46 0.85 -0.72 1.67 2.07 -1.07 -0.33 116.25 118.26 1jwe h VAL 125 Ca -0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1jwe h VAL 125 Cb 0.40 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1jwe h VAL 125 CO 0.00 0.06 0.42 -0.09 0.02 0.00 0.00 177.57 177.98 1jwe h ARG 126 N 0.31 0.99 -0.23 1.57 9.65 -0.69 -0.43 114.38 125.55 1jwe h ARG 126 Ca 0.21 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1jwe h ARG 126 Cb 0.21 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1jwe h ARG 126 CO -0.22 0.71 0.14 1.49 2.80 0.00 0.00 179.97 184.89 1jwe h GLU 127 N 0.98 0.32 -0.70 0.20 4.57 0.08 -0.17 114.58 119.85 1jwe h GLU 127 Ca 0.26 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1jwe h GLU 127 Cb -0.01 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1jwe h GLU 127 CO -0.05 0.26 0.42 0.00 -1.18 0.00 0.00 179.01 178.46 1jwe h ARG 128 N 0.28 0.96 -0.62 1.92 2.47 -0.74 0.14 114.38 118.79 1jwe h ARG 128 Ca 0.08 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1jwe h ARG 128 Cb 0.03 -0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.12 1jwe h ARG 128 CO -0.02 0.69 0.27 0.00 0.56 0.00 0.00 179.97 181.47 1jwe h ALA 129 N 1.22 0.80 -0.27 0.04 0.00 -0.78 0.72 119.26 120.99 1jwe h ALA 129 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1jwe h ALA 129 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1jwe h ALA 129 CO -0.05 0.39 -0.17 0.28 0.00 0.00 0.00 179.25 179.70 1jwe h VAL 130 N 0.85 1.24 -0.72 0.00 2.07 -0.61 -0.46 116.25 118.62 1jwe h VAL 130 Ca 0.21 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1jwe h VAL 130 Cb 0.16 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1jwe h VAL 130 CO -0.02 0.35 0.23 0.58 0.02 0.00 0.00 177.57 178.72 1jwe h VAL 131 N 0.43 1.26 0.00 2.57 2.07 -0.53 0.20 116.25 122.25 1jwe h VAL 131 Ca 0.07 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1jwe h VAL 131 Cb 0.54 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1jwe h VAL 131 CO 0.03 0.35 -0.14 -0.09 0.02 0.00 0.00 177.57 177.74 1jwe h ARG 132 N 1.07 0.00 0.11 1.57 1.12 0.34 -2.38 114.38 116.21 1jwe h ARG 132 Ca 0.23 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.95 1jwe h ARG 132 Cb 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.27 1jwe h ARG 132 CO -0.01 0.14 -0.72 1.05 -3.11 0.00 0.00 179.97 177.32 1jwe h GLU 133 N 0.00 0.23 -2.19 0.20 4.11 -0.81 -3.37 114.58 112.74 1jwe h GLU 133 Ca -0.00 -0.39 -0.26 0.00 0.07 0.00 0.00 59.36 58.78 1jwe h GLU 133 Cb 0.42 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1jwe h GLU 133 CO 0.02 1.19 0.32 -1.33 0.07 0.00 0.00 179.01 179.28 1jwe n MET 134 N -4.21 2.22 0.17 1.06 2.81 0.03 -4.53 117.12 114.67 1jwe n MET 134 Ca -0.15 -1.17 0.17 0.00 -1.81 0.00 0.00 57.70 54.75 1jwe n MET 134 Cb 0.76 -2.12 0.78 0.00 -0.71 0.00 0.00 33.22 31.93 1jwe n MET 134 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1jwe h ILE 135 N 2.19 0.59 0.00 2.02 3.07 -1.70 -3.45 117.51 120.23 1jwe h ILE 135 Ca 0.30 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.71 1jwe h ILE 135 Cb 1.28 0.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1jwe h ILE 135 CO 0.49 0.00 0.00 -1.20 -1.05 0.00 0.00 178.15 176.39