#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsx n LEU 2 N 0.00 2.37 -0.06 -0.89 -0.00 -1.26 -4.12 117.00 113.04 1jsx n LEU 2 Ca 0.00 -0.88 -0.14 0.00 -0.00 0.00 0.00 56.01 55.00 1jsx n LEU 2 Cb 0.00 -0.06 -0.07 0.00 -0.00 0.00 0.00 43.42 43.29 1jsx n LEU 2 CO 0.00 0.44 0.54 0.78 -0.00 0.00 0.00 177.39 179.14 1jsx h ASN 3 N 3.49 0.55 0.18 1.45 4.21 -2.03 -2.98 115.58 120.45 1jsx h ASN 3 Ca 0.00 -0.52 0.00 0.00 1.21 0.00 0.00 56.30 56.99 1jsx h ASN 3 Cb 0.75 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.78 1jsx h ASN 3 CO 0.00 0.96 -0.17 0.11 -1.29 0.00 0.00 177.43 177.05 1jsx h LYS 4 N 0.15 -0.36 -0.93 0.81 6.56 -1.99 0.14 116.57 120.96 1jsx h LYS 4 Ca 0.02 0.02 0.15 0.00 -1.06 0.00 0.00 60.65 59.78 1jsx h LYS 4 Cb 0.85 0.08 -0.09 0.00 -0.57 0.00 0.00 32.23 32.49 1jsx h LYS 4 CO 0.06 -0.24 0.53 -0.07 -2.06 0.00 0.00 179.45 177.67 1jsx h LEU 5 N -0.37 0.70 -0.34 2.94 3.38 -1.78 1.06 115.31 120.90 1jsx h LEU 5 Ca 0.00 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1jsx h LEU 5 Cb 0.35 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1jsx h LEU 5 CO -0.04 0.30 -0.10 -1.28 0.09 0.00 0.00 178.44 177.42 1jsx h SER 6 N 0.75 0.67 -0.52 -0.43 0.87 -1.28 0.31 113.55 113.93 1jsx h SER 6 Ca 0.50 -0.37 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1jsx h SER 6 Cb 0.68 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 1jsx h SER 6 CO -0.34 0.89 0.07 0.25 -0.53 0.00 0.00 176.83 177.16 1jsx h LEU 7 N 0.44 0.88 -0.49 2.23 5.85 0.15 -0.21 115.31 124.16 1jsx h LEU 7 Ca 0.08 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1jsx h LEU 7 Cb 0.61 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1jsx h LEU 7 CO 0.04 0.90 0.05 0.25 -0.34 0.00 0.00 178.44 179.33 1jsx h LEU 8 N 0.86 0.80 -1.07 2.25 5.85 0.12 -1.44 115.31 122.68 1jsx h LEU 8 Ca 0.17 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1jsx h LEU 8 Cb 0.42 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1jsx h LEU 8 CO 0.01 0.88 0.36 0.25 -0.34 0.00 0.00 178.44 179.60 1jsx h LEU 9 N 0.69 0.91 -0.25 2.25 5.85 -0.35 -2.92 115.31 121.50 1jsx h LEU 9 Ca 0.14 -0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.57 1jsx h LEU 9 Cb 0.44 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1jsx h LEU 9 CO 0.02 0.76 -0.65 0.11 -0.34 0.00 0.00 178.44 178.34 1jsx h LYS 10 N 1.01 0.83 0.00 1.25 1.79 -0.83 -3.08 116.57 117.54 1jsx h LYS 10 Ca 0.25 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1jsx h LYS 10 Cb 0.08 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1jsx h LYS 10 CO -0.03 1.21 0.05 -0.25 -1.08 0.00 0.00 179.45 179.34 1jsx n ASP 11 N -3.97 0.00 -4.52 0.86 8.00 -0.56 -4.61 116.55 111.74 1jsx n ASP 11 Ca -0.06 0.32 -0.23 0.00 0.71 0.00 0.00 54.79 55.53 1jsx n ASP 11 Cb 0.68 -0.32 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 1jsx n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jsx n ALA 12 N -1.30 0.73 0.00 2.24 0.00 -1.17 0.14 120.51 121.15 1jsx n ALA 12 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1jsx n ALA 12 Cb 0.05 -2.74 0.00 0.00 0.00 0.00 0.00 19.45 16.76 1jsx n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jsx n GLY 13 N 6.10 1.09 3.46 0.00 0.00 -1.26 -5.12 105.19 109.46 1jsx n GLY 13 Ca 0.58 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 1jsx n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jsx s ILE 14 N -0.03 3.57 0.26 -0.61 1.01 0.38 -5.11 121.20 120.68 1jsx s ILE 14 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.96 1jsx s ILE 14 Cb 0.00 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.84 1jsx s ILE 14 CO 0.00 0.51 0.80 -0.55 0.00 0.00 0.00 174.94 175.70 1jsx s SER 15 N 0.29 7.13 -0.20 3.58 0.15 -1.26 -4.95 113.70 118.44 1jsx s SER 15 Ca -0.06 1.55 -0.06 0.00 0.70 0.00 0.00 55.95 58.09 1jsx s SER 15 Cb -0.15 -2.47 0.10 0.00 -1.71 0.00 0.00 66.02 61.79 1jsx s SER 15 CO 0.04 -0.02 0.40 -0.22 1.20 0.00 0.00 173.24 174.64 1jsx s LEU 16 N -2.07 -0.63 0.61 3.45 2.96 -1.26 -5.12 118.68 116.61 1jsx s LEU 16 Ca 0.46 0.82 -0.19 0.00 -0.22 0.00 0.00 54.13 55.00 1jsx s LEU 16 Cb -0.17 1.28 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 1jsx s LEU 16 CO 0.21 -0.25 1.30 0.42 -1.32 0.00 0.00 176.35 176.72 1jsx s THR 17 N 2.59 2.14 0.42 3.68 -4.23 -1.26 -4.73 115.64 114.25 1jsx s THR 17 Ca 0.02 0.09 0.18 0.00 -1.18 0.00 0.00 61.69 60.80 1jsx s THR 17 Cb -0.13 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 71.06 1jsx s THR 17 CO -0.13 -0.01 1.84 0.44 -0.54 0.00 0.00 174.62 176.21 1jsx h ASP 18 N 0.86 0.40 0.30 3.99 3.32 -2.01 -0.05 116.42 123.23 1jsx h ASP 18 Ca -0.51 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1jsx h ASP 18 Cb 1.32 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1jsx h ASP 18 CO 0.55 0.15 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.33 1jsx h HIS 19 N 0.39 -0.37 -0.96 4.55 2.76 -1.99 -0.60 115.15 118.94 1jsx h HIS 19 Ca 0.49 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.75 1jsx h HIS 19 Cb 1.26 0.12 -0.07 0.00 1.55 0.00 0.00 27.41 30.27 1jsx h HIS 19 CO -0.00 -0.16 0.61 1.96 -1.30 0.00 0.00 177.93 179.04 1jsx h GLN 20 N -0.50 0.98 -0.15 5.26 4.20 -1.40 -1.18 115.11 122.31 1jsx h GLN 20 Ca -0.04 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1jsx h GLN 20 Cb 0.38 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1jsx h GLN 20 CO 0.07 0.65 -0.48 -0.22 -0.67 0.00 0.00 178.83 178.18 1jsx h LYS 21 N 1.01 0.40 -0.34 1.46 1.63 -1.02 -1.52 116.57 118.19 1jsx h LYS 21 Ca 0.44 -0.22 -0.12 0.00 -0.85 0.00 0.00 60.65 59.90 1jsx h LYS 21 Cb 0.34 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1jsx h LYS 21 CO -0.20 0.79 -0.28 -0.91 -3.45 0.00 0.00 179.45 175.40 1jsx h ASN 22 N 0.32 0.73 -0.31 4.20 2.35 0.05 0.23 115.58 123.14 1jsx h ASN 22 Ca 0.02 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.41 1jsx h ASN 22 Cb 0.96 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1jsx h ASN 22 CO 0.08 0.97 -0.12 1.56 -1.65 0.00 0.00 177.43 178.27 1jsx h GLN 23 N 0.61 0.63 -0.35 0.81 4.20 -1.18 -1.12 115.11 118.70 1jsx h GLN 23 Ca 0.07 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1jsx h GLN 23 Cb 0.79 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1jsx h GLN 23 CO 0.07 0.84 0.21 1.25 -0.67 0.00 0.00 178.83 180.53 1jsx h LEU 24 N 0.40 0.34 -0.07 1.46 5.85 -1.03 0.14 115.31 122.40 1jsx h LEU 24 Ca 0.07 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1jsx h LEU 24 Cb 0.63 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1jsx h LEU 24 CO 0.04 0.25 -0.11 0.40 -0.34 0.00 0.00 178.44 178.68 1jsx h ILE 25 N 0.43 0.71 -0.84 4.05 1.08 -0.38 -1.45 117.51 121.11 1jsx h ILE 25 Ca 0.14 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1jsx h ILE 25 Cb -0.00 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.41 1jsx h ILE 25 CO -0.06 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 177.95 1jsx h ALA 26 N 0.88 1.07 -0.74 1.87 0.00 -0.89 -2.27 119.26 119.19 1jsx h ALA 26 Ca 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1jsx h ALA 26 Cb 0.24 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1jsx h ALA 26 CO -0.16 0.45 0.45 -0.92 0.00 0.00 0.00 179.25 179.06 1jsx h TYR 27 N 1.12 0.83 -0.32 0.00 3.20 -0.40 -1.28 116.97 120.12 1jsx h TYR 27 Ca 0.31 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.14 1jsx h TYR 27 Cb -0.10 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 1jsx h TYR 27 CO -0.02 0.43 -0.11 0.28 -1.64 0.00 0.00 178.16 177.11 1jsx h VAL 28 N 0.84 1.23 -0.35 1.81 2.07 -0.71 0.26 116.25 121.39 1jsx h VAL 28 Ca 0.32 -1.01 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 1jsx h VAL 28 Cb 0.12 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1jsx h VAL 28 CO -0.15 0.33 -0.38 0.78 0.02 0.00 0.00 177.57 178.17 1jsx h ASN 29 N 0.50 0.88 -0.20 0.57 2.35 -1.04 -0.63 115.58 118.01 1jsx h ASN 29 Ca 0.09 -0.39 -0.16 0.00 -0.55 0.00 0.00 56.30 55.29 1jsx h ASN 29 Cb 0.48 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1jsx h ASN 29 CO 0.03 1.16 -0.49 0.24 -1.65 0.00 0.00 177.43 176.72 1jsx h MET 30 N 0.68 0.68 -0.37 0.81 2.86 -0.90 -2.58 114.93 116.11 1jsx h MET 30 Ca 0.06 -0.47 -0.07 0.00 -2.06 0.00 0.00 59.70 57.16 1jsx h MET 30 Cb 0.94 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1jsx h MET 30 CO 0.09 1.09 -0.07 1.25 1.06 0.00 0.00 176.91 180.32 1jsx h LEU 31 N 0.38 0.60 -0.71 1.22 5.85 -0.47 -1.14 115.31 121.04 1jsx h LEU 31 Ca -0.00 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1jsx h LEU 31 Cb 1.10 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 1jsx h LEU 31 CO 0.11 0.72 0.20 -0.74 -0.34 0.00 0.00 178.44 178.39 1jsx h HIS 32 N 0.58 1.16 -0.10 1.25 2.76 -1.04 -2.26 115.15 117.51 1jsx h HIS 32 Ca 0.11 -0.13 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 1jsx h HIS 32 Cb 0.48 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 1jsx h HIS 32 CO 0.02 0.93 -0.53 -0.22 -1.30 0.00 0.00 177.93 176.83 1jsx h LYS 33 N 1.05 0.27 -0.72 5.26 3.64 -1.09 -3.03 116.57 121.96 1jsx h LYS 33 Ca 0.23 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1jsx h LYS 33 Cb 0.33 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1jsx h LYS 33 CO -0.00 0.74 0.29 2.35 -2.27 0.00 0.00 179.45 180.55 1jsx h TRP 34 N 0.21 1.07 0.00 1.91 2.91 -0.79 -3.52 115.95 117.74 1jsx h TRP 34 Ca 0.00 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.95 1jsx h TRP 34 Cb 1.01 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.33 1jsx h TRP 34 CO 0.02 0.81 0.00 0.09 -1.03 0.00 0.00 178.44 178.33 1jsx n ASN 35 N -4.29 0.00 0.00 2.65 3.02 -0.89 -5.10 115.26 110.64 1jsx n ASN 35 Ca 0.06 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1jsx n ASN 35 Cb 0.18 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.45 1jsx n ASN 35 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1jsx n GLU 48 N 0.00 0.43 -0.16 3.52 2.13 -1.26 -4.99 120.64 120.31 1jsx n GLU 48 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1jsx n GLU 48 Cb 0.00 -1.13 0.11 0.00 0.27 0.00 0.00 31.44 30.69 1jsx n GLU 48 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1jsx h MET 49 N 0.00 0.94 0.07 5.31 2.86 -2.06 -2.94 114.93 119.11 1jsx h MET 49 Ca 0.00 -0.26 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1jsx h MET 49 Cb 0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1jsx h MET 49 CO 0.00 0.90 -0.24 1.25 1.06 0.00 0.00 176.91 179.88 1jsx h LEU 50 N 0.87 -0.70 -0.67 1.22 6.46 -2.04 -0.24 115.31 120.22 1jsx h LEU 50 Ca 0.17 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 1jsx h LEU 50 Cb 0.46 0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 1jsx h LEU 50 CO 0.02 -0.32 0.36 0.58 -0.62 0.00 0.00 178.44 178.46 1jsx h VAL 51 N -0.42 0.94 -0.17 1.05 2.07 -1.93 -1.09 116.25 116.70 1jsx h VAL 51 Ca 0.04 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1jsx h VAL 51 Cb 0.47 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1jsx h VAL 51 CO -0.17 0.12 -0.08 -0.09 0.02 0.00 0.00 177.57 177.37 1jsx h ARG 52 N 0.66 0.26 -0.08 1.57 2.43 -1.25 -0.63 114.38 117.34 1jsx h ARG 52 Ca 0.31 -0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 59.21 1jsx h ARG 52 Cb 0.22 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1jsx h ARG 52 CO -0.20 0.35 -0.80 0.45 -1.51 0.00 0.00 179.97 178.26 1jsx h HIS 53 N 0.25 0.97 -0.56 2.20 3.86 -0.03 -2.27 115.15 119.57 1jsx h HIS 53 Ca 0.05 -0.47 -0.03 0.00 -1.16 0.00 0.00 60.37 58.77 1jsx h HIS 53 Cb 0.30 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1jsx h HIS 53 CO 0.01 1.30 0.23 0.82 0.86 0.00 0.00 177.93 181.14 1jsx h ILE 54 N 0.37 1.22 -0.22 2.45 1.08 -0.89 -1.88 117.51 119.65 1jsx h ILE 54 Ca -0.08 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1jsx h ILE 54 Cb 1.45 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1jsx h ILE 54 CO 0.16 0.26 0.03 0.25 -0.69 0.00 0.00 178.15 178.16 1jsx h LEU 55 N 0.77 0.35 -0.51 1.44 5.85 -1.16 -2.01 115.31 120.04 1jsx h LEU 55 Ca 0.19 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1jsx h LEU 55 Cb 0.19 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1jsx h LEU 55 CO -0.02 0.53 0.24 0.44 -0.34 0.00 0.00 178.44 179.29 1jsx h ASP 56 N 0.16 0.33 -0.98 1.25 3.32 -1.31 -0.89 116.42 118.30 1jsx h ASP 56 Ca 0.07 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1jsx h ASP 56 Cb 0.33 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1jsx h ASP 56 CO 0.01 0.22 0.64 0.28 -1.72 0.00 0.00 179.24 178.67 1jsx h SER 57 N 0.47 1.09 -0.13 6.45 0.02 -1.21 -2.94 113.55 117.31 1jsx h SER 57 Ca 0.23 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.99 1jsx h SER 57 Cb 0.17 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.46 1jsx h SER 57 CO -0.18 0.77 -0.58 0.40 -1.14 0.00 0.00 176.83 176.09 1jsx h ILE 58 N 1.28 1.33 -0.45 3.27 2.04 -0.60 -3.14 117.51 121.24 1jsx h ILE 58 Ca 0.37 -1.86 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1jsx h ILE 58 Cb -0.07 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1jsx h ILE 58 CO -0.10 0.57 0.22 1.62 0.00 0.00 0.00 178.15 180.46 1jsx h VAL 59 N 0.27 1.15 0.00 1.67 3.04 -1.11 -2.75 116.25 118.52 1jsx h VAL 59 Ca -0.04 -0.42 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1jsx h VAL 59 Cb 1.22 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 1jsx h VAL 59 CO 0.12 0.17 -0.53 0.58 -1.01 0.00 0.00 177.57 176.91 1jsx h VAL 60 N 0.62 1.07 -0.98 1.51 2.07 -1.58 -3.36 116.25 115.61 1jsx h VAL 60 Ca 0.16 -2.04 0.32 0.00 0.82 0.00 0.00 66.70 65.96 1jsx h VAL 60 Cb 0.06 2.21 -0.18 0.00 -1.52 0.00 0.00 31.29 31.86 1jsx h VAL 60 CO -0.02 0.52 0.24 0.00 0.02 0.00 0.00 177.57 178.33 1jsx h ALA 61 N 1.47 1.54 0.00 1.67 0.00 -1.44 -0.61 119.26 121.90 1jsx h ALA 61 Ca -0.01 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1jsx h ALA 61 Cb 1.16 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1jsx h ALA 61 CO 0.07 -0.69 -0.05 -1.35 0.00 0.00 0.00 179.25 177.24 1jsx h PRO 62 N 0.04 0.00 -0.00 0.00 0.11 -1.78 -2.99 132.00 127.38 1jsx h PRO 62 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1jsx h PRO 62 Cb 1.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.68 1jsx h PRO 62 CO -0.83 0.05 -0.25 0.66 -0.21 0.00 0.00 178.00 177.42 1jsx n TYR 63 N -3.94 0.00 -2.48 0.65 4.01 -0.24 -4.79 117.16 110.37 1jsx n TYR 63 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.29 1jsx n TYR 63 Cb 0.13 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 38.93 1jsx n TYR 63 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1jsx s LEU 64 N -2.68 3.53 -0.08 7.72 1.43 -1.13 -4.99 118.68 122.49 1jsx s LEU 64 Ca 0.21 0.45 -0.22 0.00 -1.03 0.00 0.00 54.13 53.54 1jsx s LEU 64 Cb 0.19 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1jsx s LEU 64 CO 0.55 -1.45 0.64 -1.10 0.23 0.00 0.00 176.35 175.23 1jsx s GLN 65 N 4.92 4.41 0.00 1.70 -0.21 -1.26 -4.94 119.66 124.28 1jsx s GLN 65 Ca 0.52 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.67 1jsx s GLN 65 Cb -0.10 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.47 1jsx s GLN 65 CO 0.29 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.97 1jsx n GLY 66 N 3.12 0.42 0.00 3.09 0.00 -1.26 -4.48 105.19 106.08 1jsx n GLY 66 Ca -0.03 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.74 1jsx n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jsx n GLU 67 N -0.18 3.46 -3.99 1.61 2.13 -1.26 -4.89 120.64 117.52 1jsx n GLU 67 Ca 0.00 -0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.49 1jsx n GLU 67 Cb 0.00 -0.31 -0.15 0.00 0.27 0.00 0.00 31.44 31.25 1jsx n GLU 67 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1jsx s ARG 68 N -0.50 1.84 0.25 5.31 3.52 -1.26 0.62 118.95 128.73 1jsx s ARG 68 Ca 0.00 -1.19 0.09 0.00 -0.13 0.00 0.00 55.73 54.50 1jsx s ARG 68 Cb 0.00 -2.73 -0.05 0.00 -1.56 0.00 0.00 34.95 30.61 1jsx s ARG 68 CO 0.00 -0.62 -0.14 -0.06 -0.81 0.00 0.00 175.30 173.67 1jsx s PHE 69 N 1.25 1.98 -0.03 5.12 0.08 0.11 -0.22 117.98 126.28 1jsx s PHE 69 Ca -0.06 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.47 1jsx s PHE 69 Cb -0.19 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.33 1jsx s PHE 69 CO -0.06 0.47 0.05 -1.50 -0.10 0.00 0.00 175.22 174.08 1jsx s ILE 70 N -2.81 -0.04 -0.41 0.64 2.07 -0.86 -0.33 121.20 119.46 1jsx s ILE 70 Ca 0.27 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 59.56 1jsx s ILE 70 Cb -0.01 -0.10 0.05 0.00 0.13 0.00 0.00 42.46 42.53 1jsx s ILE 70 CO 0.11 0.07 0.26 -0.62 -1.91 0.00 0.00 174.94 172.85 1jsx s ASP 71 N 0.86 5.79 -0.27 4.50 2.15 0.50 -1.38 116.67 128.83 1jsx s ASP 71 Ca -0.07 -1.23 -0.23 0.00 0.43 0.00 0.00 52.55 51.45 1jsx s ASP 71 Cb -0.10 -2.04 -0.01 0.00 -0.30 0.00 0.00 42.92 40.47 1jsx s ASP 71 CO -0.03 -0.49 0.76 -0.69 -0.17 0.00 0.00 175.17 174.56 1jsx s VAL 72 N 1.53 4.86 -0.20 1.11 1.01 -0.42 -0.82 120.40 127.46 1jsx s VAL 72 Ca 0.03 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1jsx s VAL 72 Cb -0.21 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1jsx s VAL 72 CO 0.05 -0.12 0.17 0.61 0.00 0.00 0.00 175.10 175.82 1jsx n GLY 73 N 4.03 0.55 0.28 4.51 0.00 0.97 -4.45 105.19 111.08 1jsx n GLY 73 Ca 0.03 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1jsx n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsx h THR 74 N -0.37 0.61 0.00 2.61 1.03 -0.77 -3.43 112.91 112.59 1jsx h THR 74 Ca -0.09 -0.25 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1jsx h THR 74 Cb 1.06 1.16 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 1jsx h THR 74 CO 0.08 0.06 0.00 0.61 -0.01 0.00 0.00 175.52 176.26 1jsx n GLY 75 N -1.07 3.06 0.11 2.99 0.00 -1.26 -1.42 105.19 107.61 1jsx n GLY 75 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1jsx n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jsx n PRO 76 N 13.83 0.64 0.00 1.61 -0.04 -1.26 -4.73 135.00 145.05 1jsx n PRO 76 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jsx n PRO 76 Cb 0.00 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1jsx n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jsx n GLY 77 N 0.15 1.80 3.35 0.55 0.00 -0.51 -4.85 105.19 105.68 1jsx n GLY 77 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jsx n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jsx s LEU 78 N 0.00 2.74 0.00 0.99 1.43 -0.58 0.50 118.68 123.76 1jsx s LEU 78 Ca 0.00 -0.35 0.28 0.00 -1.03 0.00 0.00 54.13 53.04 1jsx s LEU 78 Cb 0.00 -1.63 1.17 0.00 0.03 0.00 0.00 46.19 45.75 1jsx s LEU 78 CO 0.00 0.12 1.85 -0.81 0.23 0.00 0.00 176.35 177.74 1jsx n PRO 79 N 3.81 0.30 -0.22 1.29 -0.04 -1.26 -4.68 135.00 134.19 1jsx n PRO 79 Ca -0.18 -0.08 -0.06 0.00 -0.04 0.00 0.00 63.50 63.14 1jsx n PRO 79 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1jsx n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jsx n GLY 80 N 1.39 -1.54 0.31 0.55 0.00 -1.04 -1.94 105.19 102.91 1jsx n GLY 80 Ca 0.11 0.66 -0.16 0.00 0.00 0.00 0.00 46.02 46.63 1jsx n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jsx h ILE 81 N 0.00 0.44 -0.95 -0.61 1.08 -0.30 -1.54 117.51 115.63 1jsx h ILE 81 Ca 0.09 -0.17 0.19 0.00 -0.39 0.00 0.00 64.86 64.57 1jsx h ILE 81 Cb 0.22 0.51 -0.08 0.00 -3.07 0.00 0.00 36.82 34.40 1jsx h ILE 81 CO -0.50 0.03 0.60 -0.65 -0.69 0.00 0.00 178.15 176.94 1jsx h PRO 82 N -0.83 0.59 -0.75 2.37 0.11 -1.66 0.12 132.00 131.94 1jsx h PRO 82 Ca -0.07 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.95 1jsx h PRO 82 Cb 0.60 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1jsx h PRO 82 CO 0.12 0.39 0.26 -0.07 -0.21 0.00 0.00 178.00 178.49 1jsx h LEU 83 N 0.61 1.08 -1.28 2.35 3.38 -1.08 -2.60 115.31 117.78 1jsx h LEU 83 Ca 0.51 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1jsx h LEU 83 Cb 0.98 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1jsx h LEU 83 CO -0.26 0.98 -0.35 0.77 0.09 0.00 0.00 178.44 179.68 1jsx h SER 84 N 1.11 0.00 -0.16 -0.43 4.64 0.04 -1.07 113.55 117.69 1jsx h SER 84 Ca 0.25 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.42 1jsx h SER 84 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1jsx h SER 84 CO -0.01 0.35 -0.49 0.40 -0.87 0.00 0.00 176.83 176.21 1jsx h ILE 85 N 0.00 1.34 -0.00 0.95 2.04 -1.12 -3.26 117.51 117.45 1jsx h ILE 85 Ca -0.00 -1.75 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1jsx h ILE 85 Cb 0.67 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 1jsx h ILE 85 CO 0.05 0.54 -0.21 1.33 0.00 0.00 0.00 178.15 179.86 1jsx n VAL 86 N -4.20 0.00 -3.23 1.67 0.24 -1.00 -4.22 118.33 107.58 1jsx n VAL 86 Ca -0.07 -0.08 -0.24 0.00 -2.04 0.00 0.00 64.34 61.91 1jsx n VAL 86 Cb 0.59 0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 33.03 1jsx n VAL 86 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jsx n ARG 87 N -0.90 1.56 0.03 7.34 5.12 -0.42 -4.97 116.66 124.42 1jsx n ARG 87 Ca 0.12 -3.85 0.17 0.00 -1.93 0.00 0.00 57.85 52.36 1jsx n ARG 87 Cb 0.32 -1.71 0.65 0.00 -1.16 0.00 0.00 32.46 30.55 1jsx n ARG 87 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1jsx h PRO 88 N 3.79 0.08 -0.00 5.56 0.11 -1.73 -1.63 132.00 138.18 1jsx h PRO 88 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1jsx h PRO 88 Cb 0.79 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1jsx h PRO 88 CO 0.62 0.05 -0.20 -0.85 -0.21 0.00 0.00 178.00 177.41 1jsx n GLU 89 N -4.42 0.44 -3.98 1.05 0.00 -1.26 -4.82 120.64 107.64 1jsx n GLU 89 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 57.16 56.75 1jsx n GLU 89 Cb 0.48 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.37 1jsx n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jsx s ALA 90 N -2.68 3.80 -0.18 -1.84 0.00 -0.61 -4.93 121.76 115.32 1jsx s ALA 90 Ca 0.22 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1jsx s ALA 90 Cb 0.19 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1jsx s ALA 90 CO 0.54 0.79 0.05 -1.58 0.00 0.00 0.00 175.76 175.55 1jsx s HIS 91 N -1.46 3.22 -0.22 0.00 2.46 0.20 -4.82 115.29 114.67 1jsx s HIS 91 Ca 0.32 0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.87 1jsx s HIS 91 Cb -0.13 -2.05 0.03 0.00 -0.13 0.00 0.00 32.58 30.30 1jsx s HIS 91 CO 0.25 0.13 -0.13 -0.06 -2.47 0.00 0.00 174.74 172.47 1jsx s PHE 92 N 0.34 2.99 -0.21 3.88 0.40 0.49 0.07 117.98 125.93 1jsx s PHE 92 Ca 0.02 -1.73 -0.21 0.00 -0.60 0.00 0.00 56.93 54.41 1jsx s PHE 92 Cb -0.13 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1jsx s PHE 92 CO 0.01 -0.79 0.65 0.99 0.70 0.00 0.00 175.22 176.78 1jsx s THR 93 N 1.27 4.99 -0.41 0.64 2.01 0.55 -1.41 115.64 123.28 1jsx s THR 93 Ca 0.00 1.21 -0.11 0.00 0.31 0.00 0.00 61.69 63.11 1jsx s THR 93 Cb -0.16 -3.96 0.05 0.00 0.01 0.00 0.00 72.50 68.45 1jsx s THR 93 CO -0.08 0.08 0.26 -0.76 -0.69 0.00 0.00 174.62 173.43 1jsx s LEU 94 N 2.12 5.05 -0.17 4.42 1.43 -0.73 -0.37 118.68 130.43 1jsx s LEU 94 Ca 0.29 -1.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1jsx s LEU 94 Cb -0.16 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1jsx s LEU 94 CO 0.10 -0.49 0.12 -0.22 0.23 0.00 0.00 176.35 176.08 1jsx s LEU 95 N 1.52 4.17 -0.05 1.79 2.96 0.00 -1.28 118.68 127.80 1jsx s LEU 95 Ca 0.03 0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 54.02 1jsx s LEU 95 Cb -0.21 -2.05 0.04 0.00 0.50 0.00 0.00 46.19 44.46 1jsx s LEU 95 CO 0.05 0.25 0.43 -0.62 -1.32 0.00 0.00 176.35 175.14 1jsx s ASP 96 N -0.10 -0.36 0.35 3.68 2.15 -1.03 -0.02 116.67 121.34 1jsx s ASP 96 Ca 0.09 0.40 0.19 0.00 0.43 0.00 0.00 52.55 53.66 1jsx s ASP 96 Cb -0.12 0.48 0.19 0.00 -0.30 0.00 0.00 42.92 43.18 1jsx s ASP 96 CO 0.00 -0.44 1.50 0.28 -0.17 0.00 0.00 175.17 176.35 1jsx h SER 97 N 3.93 0.00 -3.74 -0.34 0.02 -1.87 -1.63 113.55 109.92 1jsx h SER 97 Ca -0.29 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.00 1jsx h SER 97 Cb 1.17 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 1jsx h SER 97 CO 0.36 0.25 -0.42 -0.76 -1.14 0.00 0.00 176.83 175.13 1jsx s LEU 98 N -6.31 4.37 0.57 5.07 1.43 -1.26 -4.65 118.68 117.90 1jsx s LEU 98 Ca 0.05 -0.24 0.30 0.00 -1.03 0.00 0.00 54.13 53.21 1jsx s LEU 98 Cb 0.06 -2.21 1.46 0.00 0.03 0.00 0.00 46.19 45.53 1jsx s LEU 98 CO 0.71 -0.22 1.86 1.23 0.23 0.00 0.00 176.35 180.16 1jsx h GLY 99 N 8.55 0.00 1.15 -3.19 0.00 -1.99 0.11 103.07 107.70 1jsx h GLY 99 Ca -0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1jsx h GLY 99 CO 0.63 0.00 0.28 1.70 0.00 0.00 0.00 176.54 179.16 1jsx h LYS 100 N 0.00 1.08 -0.13 4.80 3.64 -1.98 -0.33 116.57 123.64 1jsx h LYS 100 Ca 0.32 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1jsx h LYS 100 Cb 1.50 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1jsx h LYS 100 CO -0.00 0.88 -0.27 0.00 -2.27 0.00 0.00 179.45 177.79 1jsx h ARG 101 N 1.06 0.42 -0.82 1.90 -0.00 -1.30 -2.71 114.38 112.92 1jsx h ARG 101 Ca 0.24 -0.27 0.08 0.00 -0.50 0.00 0.00 59.98 59.53 1jsx h ARG 101 Cb 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 30.15 1jsx h ARG 101 CO -0.02 0.87 0.48 0.28 0.00 0.00 0.00 179.97 181.58 1jsx h VAL 102 N 0.02 0.95 -0.61 2.04 2.07 -1.28 0.61 116.25 120.04 1jsx h VAL 102 Ca 0.00 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1jsx h VAL 102 Cb 0.86 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1jsx h VAL 102 CO 0.06 0.15 0.15 0.03 0.02 0.00 0.00 177.57 177.98 1jsx h ARG 103 N 0.83 0.96 0.09 1.57 3.08 -1.05 -1.29 114.38 118.57 1jsx h ARG 103 Ca 0.38 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jsx h ARG 103 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1jsx h ARG 103 CO -0.22 0.86 -0.04 0.35 -1.07 0.00 0.00 179.97 179.84 1jsx h PHE 104 N 0.92 -0.11 -0.78 3.04 3.57 -0.83 -2.34 116.94 120.40 1jsx h PHE 104 Ca 0.20 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.85 1jsx h PHE 104 Cb 0.33 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 1jsx h PHE 104 CO 0.02 0.07 0.52 -0.07 -2.23 0.00 0.00 178.31 176.62 1jsx h LEU 105 N -0.27 0.41 -0.72 0.59 3.38 -0.65 0.98 115.31 119.04 1jsx h LEU 105 Ca -0.01 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1jsx h LEU 105 Cb 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1jsx h LEU 105 CO 0.02 0.21 -0.36 0.03 0.09 0.00 0.00 178.44 178.42 1jsx h ARG 106 N 0.44 0.56 -0.13 1.13 3.08 -0.87 -0.02 114.38 118.57 1jsx h ARG 106 Ca 0.39 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1jsx h ARG 106 Cb 0.87 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 1jsx h ARG 106 CO -0.13 0.84 -0.01 1.96 -1.07 0.00 0.00 179.97 181.55 1jsx h GLN 107 N 0.47 0.23 -0.31 0.04 4.20 -0.36 -1.62 115.11 117.77 1jsx h GLN 107 Ca 0.05 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.73 1jsx h GLN 107 Cb 0.85 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1jsx h GLN 107 CO 0.07 0.50 -0.04 0.28 -0.67 0.00 0.00 178.83 178.97 1jsx h VAL 108 N -0.06 0.73 -0.85 -0.54 2.07 -0.97 0.34 116.25 116.97 1jsx h VAL 108 Ca 0.03 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.69 1jsx h VAL 108 Cb 0.41 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1jsx h VAL 108 CO 0.01 0.01 0.55 -0.61 0.02 0.00 0.00 177.57 177.55 1jsx h GLN 109 N 0.04 0.56 0.01 1.57 4.15 -0.83 0.48 115.11 121.09 1jsx h GLN 109 Ca 0.15 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1jsx h GLN 109 Cb 0.21 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1jsx h GLN 109 CO -0.29 0.37 -0.01 1.25 -1.93 0.00 0.00 178.83 178.23 1jsx h HIS 110 N 0.58 -0.02 -0.14 3.99 2.76 0.01 -1.56 115.15 120.76 1jsx h HIS 110 Ca 0.43 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1jsx h HIS 110 Cb 0.81 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1jsx h HIS 110 CO -0.00 0.71 0.08 0.93 -1.30 0.00 0.00 177.93 178.36 1jsx h GLU 111 N -0.79 0.17 -0.00 5.26 4.39 0.16 -2.74 114.58 121.04 1jsx h GLU 111 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1jsx h GLU 111 Cb 0.74 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1jsx h GLU 111 CO 0.00 0.11 -0.21 1.28 -1.16 0.00 0.00 179.01 179.04 1jsx n LEU 112 N -5.01 0.37 -3.31 1.33 4.77 0.10 -4.93 117.00 110.33 1jsx n LEU 112 Ca -0.04 0.13 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 1jsx n LEU 112 Cb 0.03 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1jsx n LEU 112 CO 0.33 0.08 0.12 0.29 -1.33 0.00 0.00 177.39 176.88 1jsx n LYS 113 N -1.27 -6.45 -1.97 3.23 5.02 -0.65 -4.92 118.16 111.15 1jsx n LYS 113 Ca 0.09 0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 1jsx n LYS 113 Cb 0.32 -5.84 -0.03 0.00 -0.02 0.00 0.00 35.03 29.46 1jsx n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jsx s LEU 114 N -7.01 4.37 0.00 -0.35 1.43 -0.80 -4.90 118.68 111.42 1jsx s LEU 114 Ca 0.45 2.57 0.13 0.00 -1.03 0.00 0.00 54.13 56.24 1jsx s LEU 114 Cb -0.20 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.56 1jsx s LEU 114 CO 0.55 -0.80 0.95 -0.62 0.23 0.00 0.00 176.35 176.66 1jsx n GLU 115 N 4.00 0.99 -0.39 1.70 1.02 -1.26 -4.58 120.64 122.12 1jsx n GLU 115 Ca 0.14 -1.35 0.06 0.00 -0.02 0.00 0.00 57.16 55.99 1jsx n GLU 115 Cb 0.39 -1.26 0.19 0.00 -0.02 0.00 0.00 31.44 30.75 1jsx n GLU 115 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jsx n ASN 116 N 0.73 2.55 -4.27 1.62 6.94 -1.26 -5.03 115.26 116.54 1jsx n ASN 116 Ca 0.08 -3.37 -0.20 0.00 -0.02 0.00 0.00 54.58 51.07 1jsx n ASN 116 Cb 0.34 -0.51 -0.12 0.00 -2.36 0.00 0.00 39.78 37.13 1jsx n ASN 116 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1jsx s ILE 117 N -3.01 1.53 -0.37 1.53 -4.36 -1.26 -0.38 121.20 114.88 1jsx s ILE 117 Ca 0.38 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 1jsx s ILE 117 Cb 0.33 -1.57 0.13 0.00 1.25 0.00 0.00 42.46 42.60 1jsx s ILE 117 CO 0.01 -0.28 0.19 -0.70 0.24 0.00 0.00 174.94 174.40 1jsx s GLU 118 N -2.42 0.78 0.23 0.37 2.12 -0.50 -4.96 118.70 114.31 1jsx s GLU 118 Ca 0.09 -1.41 -0.30 0.00 0.36 0.00 0.00 54.97 53.71 1jsx s GLU 118 Cb -0.07 -1.74 -0.10 0.00 0.26 0.00 0.00 34.13 32.49 1jsx s GLU 118 CO 0.04 -1.13 1.38 -2.14 -0.54 0.00 0.00 175.26 172.86 1jsx s PRO 119 N 1.05 4.32 -0.07 4.30 0.02 -1.26 -1.77 135.00 141.59 1jsx s PRO 119 Ca 0.15 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 63.32 1jsx s PRO 119 Cb -0.22 -3.14 0.03 0.00 0.02 0.00 0.00 34.50 31.19 1jsx s PRO 119 CO -0.08 -0.33 0.17 0.54 -0.33 0.00 0.00 177.00 176.97 1jsx s VAL 120 N -0.02 -0.02 -0.17 3.83 0.11 -0.40 -4.92 120.40 118.81 1jsx s VAL 120 Ca 0.58 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.61 1jsx s VAL 120 Cb -0.39 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 1jsx s VAL 120 CO 0.42 0.03 0.12 -1.58 -3.33 0.00 0.00 175.10 170.76 1jsx s GLN 121 N 0.57 3.92 0.00 1.54 0.74 -1.26 -2.48 119.66 122.70 1jsx s GLN 121 Ca -0.04 -0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.16 1jsx s GLN 121 Cb -0.05 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.74 1jsx s GLN 121 CO -0.03 0.45 0.00 0.45 -0.55 0.00 0.00 175.29 175.61 1jsx n SER 122 N 3.04 0.00 -4.88 6.67 2.88 -0.61 -4.96 113.62 115.75 1jsx n SER 122 Ca -0.17 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.13 1jsx n SER 122 Cb 0.53 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.05 1jsx n SER 122 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1jsx s ARG 123 N -2.00 2.21 0.26 -1.46 1.81 -1.26 -3.58 118.95 114.93 1jsx s ARG 123 Ca 0.00 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 53.35 1jsx s ARG 123 Cb 0.00 -2.31 0.50 0.00 -0.45 0.00 0.00 34.95 32.68 1jsx s ARG 123 CO 0.00 -1.10 1.61 -0.39 -0.68 0.00 0.00 175.30 174.75 1jsx h VAL 124 N -0.35 0.24 0.11 3.52 -1.51 -1.96 -2.88 116.25 113.41 1jsx h VAL 124 Ca -0.42 -0.02 -0.19 0.00 -1.23 0.00 0.00 66.70 64.83 1jsx h VAL 124 Cb 1.30 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1jsx h VAL 124 CO 0.53 0.01 -0.91 -0.08 -1.23 0.00 0.00 177.57 175.90 1jsx h GLU 125 N 0.07 0.22 0.00 5.19 4.57 -1.93 -3.26 114.58 119.44 1jsx h GLU 125 Ca 0.45 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1jsx h GLU 125 Cb 0.82 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1jsx h GLU 125 CO -0.76 1.18 0.64 1.49 -1.18 0.00 0.00 179.01 180.39 1jsx h GLU 126 N -0.48 0.00 -5.98 1.92 4.57 -1.89 -3.37 114.58 109.35 1jsx h GLU 126 Ca -0.18 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.42 1jsx h GLU 126 Cb 1.57 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.09 1jsx h GLU 126 CO 0.08 0.00 0.51 0.12 -1.18 0.00 0.00 179.01 178.54 1jsx s PHE 127 N -3.46 3.39 0.01 0.92 5.36 -1.13 -4.88 117.98 118.20 1jsx s PHE 127 Ca -0.01 1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 1jsx s PHE 127 Cb 0.02 -3.10 -0.01 0.00 -0.34 0.00 0.00 43.02 39.60 1jsx s PHE 127 CO 0.07 -0.32 1.04 -1.35 -1.46 0.00 0.00 175.22 173.20 1jsx h PRO 128 N 7.40 -0.01 -2.45 10.12 0.11 -1.90 -3.46 132.00 141.81 1jsx h PRO 128 Ca -0.26 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.48 1jsx h PRO 128 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1jsx h PRO 128 CO 0.88 -0.00 -0.46 0.45 -0.21 0.00 0.00 178.00 178.65 1jsx n SER 129 N -3.13 -5.33 0.20 -2.05 2.88 -1.26 -4.91 113.62 100.03 1jsx n SER 129 Ca 0.00 0.03 -0.14 0.00 -1.33 0.00 0.00 58.87 57.43 1jsx n SER 129 Cb 0.02 -4.40 -0.07 0.00 -0.75 0.00 0.00 64.21 59.01 1jsx n SER 129 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1jsx h GLU 130 N 0.00 -0.71 -5.71 -1.46 4.57 -1.97 -3.34 114.58 105.96 1jsx h GLU 130 Ca -0.43 0.05 -0.63 0.00 -1.18 0.00 0.00 59.36 57.16 1jsx h GLU 130 Cb 1.31 0.16 -0.13 0.00 -0.16 0.00 0.00 28.75 29.93 1jsx h GLU 130 CO 0.52 -0.47 0.33 -1.25 -1.18 0.00 0.00 179.01 176.96 1jsx s PRO 131 N -5.12 3.37 0.95 0.92 0.04 -1.26 -5.03 135.00 128.88 1jsx s PRO 131 Ca -0.13 -0.18 -0.15 0.00 0.04 0.00 0.00 61.00 60.58 1jsx s PRO 131 Cb 0.03 -3.95 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 1jsx s PRO 131 CO 0.45 -1.13 -0.30 -2.30 0.04 0.00 0.00 177.00 173.76 1jsx n PRO 132 N 6.69 -0.09 -4.12 0.56 -0.02 -1.26 -5.02 135.00 131.75 1jsx n PRO 132 Ca 0.01 -0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1jsx n PRO 132 Cb 0.48 -1.34 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 1jsx n PRO 132 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1jsx s PHE 133 N -2.14 3.15 -0.02 6.00 0.40 -0.91 -4.79 117.98 119.67 1jsx s PHE 133 Ca 0.48 0.08 0.17 0.00 -0.60 0.00 0.00 56.93 57.06 1jsx s PHE 133 Cb -0.21 -1.64 0.36 0.00 0.51 0.00 0.00 43.02 42.04 1jsx s PHE 133 CO 0.76 0.51 1.58 -0.44 0.70 0.00 0.00 175.22 178.32 1jsx h ASP 134 N 3.68 0.00 -3.68 1.36 3.45 -0.92 -2.28 116.42 118.03 1jsx h ASP 134 Ca -0.48 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 56.88 1jsx h ASP 134 Cb 1.17 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.70 1jsx h ASP 134 CO 0.62 0.43 -0.21 -0.83 -1.57 0.00 0.00 179.24 177.69 1jsx s GLY 135 N -4.41 -0.35 -0.12 2.75 0.00 -1.14 -1.33 107.32 102.73 1jsx s GLY 135 Ca 0.02 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.15 1jsx s GLY 135 CO 0.71 1.31 -0.16 0.14 0.00 0.00 0.00 173.10 175.11 1jsx s VAL 136 N 0.61 2.82 0.07 1.40 1.01 0.76 -2.02 120.40 125.05 1jsx s VAL 136 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1jsx s VAL 136 Cb -0.05 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1jsx s VAL 136 CO -0.04 0.53 -0.14 -0.51 0.00 0.00 0.00 175.10 174.95 1jsx s ILE 137 N 0.35 1.06 -0.19 2.22 2.07 -0.48 -0.62 121.20 125.62 1jsx s ILE 137 Ca -0.13 -1.25 -0.30 0.00 -1.41 0.00 0.00 60.65 57.56 1jsx s ILE 137 Cb -0.16 -1.02 0.14 0.00 0.13 0.00 0.00 42.46 41.55 1jsx s ILE 137 CO 0.06 -0.21 1.10 -0.55 -1.91 0.00 0.00 174.94 173.43 1jsx s SER 138 N -1.66 -0.26 -0.04 4.50 0.15 -1.25 -1.30 113.70 113.83 1jsx s SER 138 Ca -0.02 0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.94 1jsx s SER 138 Cb -0.10 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1jsx s SER 138 CO 0.02 -0.27 0.95 -2.11 1.20 0.00 0.00 173.24 173.03 1jsx n ARG 139 N 0.54 1.31 0.07 5.44 1.85 -1.26 -4.75 116.66 119.86 1jsx n ARG 139 Ca -0.07 -1.56 0.12 0.00 -1.00 0.00 0.00 57.85 55.35 1jsx n ARG 139 Cb 0.58 -0.97 0.21 0.00 -1.05 0.00 0.00 32.46 31.24 1jsx n ARG 139 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jsx h ALA 140 N 0.00 0.67 -2.81 2.89 0.00 -1.83 -3.47 119.26 114.70 1jsx h ALA 140 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1jsx h ALA 140 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1jsx h ALA 140 CO 0.00 0.00 -0.46 -0.06 0.00 0.00 0.00 179.25 178.73 1jsx s PHE 141 N -3.16 3.54 0.29 0.00 0.08 -1.26 -5.02 117.98 112.45 1jsx s PHE 141 Ca 0.07 0.39 -0.00 0.00 0.12 0.00 0.00 56.93 57.50 1jsx s PHE 141 Cb 0.13 -1.86 0.43 0.00 -0.57 0.00 0.00 43.02 41.15 1jsx s PHE 141 CO 0.70 0.60 1.83 0.00 -0.10 0.00 0.00 175.22 178.25 1jsx h ALA 142 N 3.54 1.24 -2.81 5.36 0.00 -1.96 -3.47 119.26 121.16 1jsx h ALA 142 Ca -0.48 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1jsx h ALA 142 Cb 1.18 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1jsx h ALA 142 CO 0.71 0.53 -0.21 -1.54 0.00 0.00 0.00 179.25 178.74 1jsx s SER 143 N -6.60 0.08 0.20 0.00 1.04 -1.26 -5.04 113.70 102.12 1jsx s SER 143 Ca -0.09 -1.08 -0.11 0.00 0.48 0.00 0.00 55.95 55.14 1jsx s SER 143 Cb 0.15 0.57 0.19 0.00 0.10 0.00 0.00 66.02 67.03 1jsx s SER 143 CO 0.80 -1.12 1.81 -0.07 0.98 0.00 0.00 173.24 175.63 1jsx h LEU 144 N 2.29 0.51 -0.30 2.42 3.38 -1.90 -1.89 115.31 119.82 1jsx h LEU 144 Ca -0.28 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1jsx h LEU 144 Cb 1.25 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1jsx h LEU 144 CO 0.39 0.34 0.09 -1.13 0.09 0.00 0.00 178.44 178.22 1jsx h ASN 145 N 0.64 0.07 -0.18 -0.43 -0.73 -1.83 -1.27 115.58 111.86 1jsx h ASN 145 Ca 0.26 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.51 1jsx h ASN 145 Cb 0.13 0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1jsx h ASN 145 CO -0.16 0.08 -0.04 0.44 -0.37 0.00 0.00 177.43 177.39 1jsx h ASP 146 N 0.21 -0.15 0.02 1.15 3.32 -1.85 -0.61 116.42 118.51 1jsx h ASP 146 Ca 0.14 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1jsx h ASP 146 Cb 0.12 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1jsx h ASP 146 CO -0.16 -0.05 -0.20 -0.03 -1.72 0.00 0.00 179.24 177.09 1jsx h MET 147 N 0.01 -0.32 -0.67 3.56 4.05 -0.95 -1.47 114.93 119.14 1jsx h MET 147 Ca 0.09 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.51 1jsx h MET 147 Cb 0.13 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1jsx h MET 147 CO -0.18 -0.21 0.33 0.28 0.23 0.00 0.00 176.91 177.36 1jsx h VAL 148 N -0.33 1.22 -0.00 -5.77 2.07 -1.03 -0.51 116.25 111.91 1jsx h VAL 148 Ca 0.05 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1jsx h VAL 148 Cb 0.39 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1jsx h VAL 148 CO -0.17 0.25 0.00 0.28 0.02 0.00 0.00 177.57 177.96 1jsx h SER 149 N 0.92 0.00 -0.03 0.57 0.02 -0.87 0.22 113.55 114.39 1jsx h SER 149 Ca 0.23 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.07 1jsx h SER 149 Cb 0.10 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1jsx h SER 149 CO -0.03 0.01 -0.29 -0.50 -1.14 0.00 0.00 176.83 174.88 1jsx h TRP 150 N -0.00 0.53 -0.31 3.45 4.06 -1.09 -3.21 115.95 119.37 1jsx h TRP 150 Ca 0.00 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.83 1jsx h TRP 150 Cb 0.01 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 1jsx h TRP 150 CO -0.08 0.71 0.00 0.00 -3.56 0.00 0.00 178.44 175.51 1jsx h HIS 152 N 4.01 0.06 -0.00 0.00 2.07 -0.57 0.47 115.15 121.18 1jsx h HIS 152 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1jsx h HIS 152 Cb 0.91 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 30.87 1jsx h HIS 152 CO 0.20 0.00 -0.04 -2.39 -3.07 0.00 0.00 177.93 172.63 1jsx n HIS 153 N -4.22 0.00 -0.02 6.12 1.44 -1.26 -4.26 115.22 113.03 1jsx n HIS 153 Ca 0.26 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.76 1jsx n HIS 153 Cb 1.22 -0.24 -0.13 0.00 0.12 0.00 0.00 29.99 30.96 1jsx n HIS 153 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1jsx h LEU 154 N 0.18 0.29 -9.96 2.39 3.38 -1.26 -3.48 115.31 106.85 1jsx h LEU 154 Ca 0.00 -0.81 -0.51 0.00 0.09 0.00 0.00 57.88 56.65 1jsx h LEU 154 Cb 0.30 -0.09 0.07 0.00 0.09 0.00 0.00 40.66 41.02 1jsx h LEU 154 CO 0.00 1.57 0.53 -2.84 0.09 0.00 0.00 178.44 177.79 1jsx s PRO 155 N -2.44 3.94 0.09 1.13 0.02 -1.26 -2.13 135.00 134.35 1jsx s PRO 155 Ca -0.22 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 62.71 1jsx s PRO 155 Cb 0.04 -2.63 0.02 0.00 0.02 0.00 0.00 34.50 31.95 1jsx s PRO 155 CO 0.73 -0.44 0.08 0.41 -0.33 0.00 0.00 177.00 177.45 1jsx n GLY 156 N 0.62 -2.65 0.21 0.52 0.00 -0.86 -4.71 105.19 98.32 1jsx n GLY 156 Ca 0.05 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.70 1jsx n GLY 156 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jsx h GLU 157 N 0.00 0.00 -0.27 1.61 5.08 -1.96 -2.56 114.58 116.47 1jsx h GLU 157 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jsx h GLU 157 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1jsx h GLU 157 CO 0.02 0.28 0.00 1.04 -1.00 0.00 0.00 179.01 179.34 1jsx n GLN 158 N -4.11 2.11 -1.35 2.33 1.13 -1.26 -4.86 117.38 111.37 1jsx n GLN 158 Ca -0.02 -1.86 -0.30 0.00 -1.94 0.00 0.00 57.00 52.88 1jsx n GLN 158 Cb 0.33 -1.31 0.12 0.00 0.11 0.00 0.00 30.24 29.49 1jsx n GLN 158 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jsx s GLY 159 N -1.06 1.62 0.15 1.08 0.00 -0.97 -5.00 107.32 103.14 1jsx s GLY 159 Ca 0.24 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1jsx s GLY 159 CO 0.19 0.34 -0.08 0.50 0.00 0.00 0.00 173.10 174.05 1jsx s ARG 160 N -5.03 1.07 -0.18 2.90 0.52 -0.44 -4.63 118.95 113.17 1jsx s ARG 160 Ca 0.62 -1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1jsx s ARG 160 Cb -0.16 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 1jsx s ARG 160 CO 0.56 0.03 -0.02 -0.06 0.02 0.00 0.00 175.30 175.83 1jsx s PHE 161 N -3.39 3.04 -0.16 -0.53 0.08 0.56 -0.17 117.98 117.40 1jsx s PHE 161 Ca 0.18 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.85 1jsx s PHE 161 Cb 0.03 -2.02 -0.01 0.00 -0.57 0.00 0.00 43.02 40.45 1jsx s PHE 161 CO 0.01 -0.13 -0.11 0.71 -0.10 0.00 0.00 175.22 175.60 1jsx s TYR 162 N 0.67 2.85 -0.05 0.36 2.02 0.21 -0.78 117.35 122.63 1jsx s TYR 162 Ca -0.01 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 1jsx s TYR 162 Cb -0.14 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 1jsx s TYR 162 CO 0.02 -0.35 -0.02 0.00 -1.57 0.00 0.00 175.55 173.63 1jsx s ALA 163 N 0.72 0.57 -0.25 3.71 0.00 -0.55 -3.89 121.76 122.06 1jsx s ALA 163 Ca -0.05 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1jsx s ALA 163 Cb -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1jsx s ALA 163 CO 0.02 -0.14 0.32 -1.17 0.00 0.00 0.00 175.76 174.79 1jsx s LEU 164 N 1.20 4.08 0.48 0.00 2.96 -1.26 -0.26 118.68 125.88 1jsx s LEU 164 Ca -0.07 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 1jsx s LEU 164 Cb -0.14 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1jsx s LEU 164 CO -0.02 -0.10 0.04 -0.54 -1.32 0.00 0.00 176.35 174.42 1jsx s LYS 165 N 1.64 2.14 0.00 1.98 -0.14 0.11 -4.98 119.74 120.49 1jsx s LYS 165 Ca 0.14 -2.27 0.00 0.00 -1.36 0.00 0.00 55.97 52.48 1jsx s LYS 165 Cb -0.15 -1.63 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 1jsx s LYS 165 CO 0.08 -0.29 0.00 0.41 -0.76 0.00 0.00 175.35 174.80 1jsx n GLY 166 N -1.22 0.42 3.88 -3.33 0.00 -1.26 -1.01 105.19 102.66 1jsx n GLY 166 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1jsx n GLY 166 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jsx s GLN 167 N 0.00 3.18 -0.30 1.61 -0.44 -1.26 -2.69 119.66 119.76 1jsx s GLN 167 Ca 0.00 0.55 -0.39 0.00 -2.50 0.00 0.00 55.36 53.02 1jsx s GLN 167 Cb 0.00 -2.06 -0.15 0.00 -1.64 0.00 0.00 33.01 29.16 1jsx s GLN 167 CO 0.00 -0.81 1.89 -0.12 0.50 0.00 0.00 175.29 176.75 1jsx n MET 168 N -2.87 1.12 -1.54 1.67 0.00 -1.26 -4.81 117.12 109.44 1jsx n MET 168 Ca 0.06 0.39 -0.41 0.00 -0.00 0.00 0.00 57.70 57.74 1jsx n MET 168 Cb 0.56 -2.19 -0.01 0.00 0.00 0.00 0.00 33.22 31.58 1jsx n MET 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1jsx n PRO 169 N 6.31 3.10 0.06 2.12 -0.04 -1.26 -4.74 135.00 140.55 1jsx n PRO 169 Ca 0.32 -2.41 -0.13 0.00 -0.04 0.00 0.00 63.50 61.24 1jsx n PRO 169 Cb 0.15 -3.09 -0.08 0.00 -0.04 0.00 0.00 33.50 30.45 1jsx n PRO 169 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1jsx h GLU 170 N 5.71 -0.09 -0.27 0.54 5.08 -1.99 -1.47 114.58 122.08 1jsx h GLU 170 Ca 0.67 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1jsx h GLU 170 Cb 0.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1jsx h GLU 170 CO 1.85 0.03 0.16 -0.44 -1.00 0.00 0.00 179.01 179.61 1jsx h ASP 171 N -0.18 0.33 -0.82 1.42 3.32 -1.99 -1.41 116.42 117.09 1jsx h ASP 171 Ca -0.01 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1jsx h ASP 171 Cb 0.16 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1jsx h ASP 171 CO 0.01 0.30 0.42 -0.33 -1.72 0.00 0.00 179.24 177.92 1jsx h GLU 172 N 0.34 1.17 -0.65 3.56 5.08 -1.94 -0.58 114.58 121.56 1jsx h GLU 172 Ca 0.10 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1jsx h GLU 172 Cb 0.03 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1jsx h GLU 172 CO -0.02 0.89 0.13 0.82 -1.00 0.00 0.00 179.01 179.83 1jsx h ILE 173 N 1.17 1.26 0.00 3.13 2.04 -1.09 -1.96 117.51 122.06 1jsx h ILE 173 Ca 0.29 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 1jsx h ILE 173 Cb 0.08 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1jsx h ILE 173 CO -0.04 0.37 -0.22 0.00 0.00 0.00 0.00 178.15 178.25 1jsx h ALA 174 N 1.15 1.35 -0.34 1.87 0.00 -0.40 -2.22 119.26 120.66 1jsx h ALA 174 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jsx h ALA 174 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jsx h ALA 174 CO 0.01 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1jsx n LEU 175 N -3.87 2.65 -4.78 0.00 7.99 -0.31 -4.90 117.00 113.78 1jsx n LEU 175 Ca -0.02 -1.33 -0.39 0.00 -0.01 0.00 0.00 56.01 54.26 1jsx n LEU 175 Cb 0.31 -0.40 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 1jsx n LEU 175 CO 0.34 0.48 0.48 -0.76 -1.51 0.00 0.00 177.39 176.43 1jsx s LEU 176 N -1.18 4.53 0.41 2.23 1.43 -0.84 -4.68 118.68 120.59 1jsx s LEU 176 Ca 0.27 1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 1jsx s LEU 176 Cb 0.17 -3.40 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 1jsx s LEU 176 CO 0.13 0.16 1.39 -2.84 0.23 0.00 0.00 176.35 175.42 1jsx s PRO 177 N -1.36 3.91 0.55 1.29 0.02 -1.26 -4.87 135.00 133.28 1jsx s PRO 177 Ca 0.38 2.35 0.32 0.00 0.02 0.00 0.00 61.00 64.07 1jsx s PRO 177 Cb -0.22 -2.78 1.48 0.00 0.02 0.00 0.00 34.50 33.01 1jsx s PRO 177 CO 0.25 -0.61 1.86 1.49 -0.33 0.00 0.00 177.00 179.66 1jsx h GLU 178 N 2.65 0.00 0.00 5.54 4.22 -1.97 0.79 114.58 125.81 1jsx h GLU 178 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 1jsx h GLU 178 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jsx h GLU 178 CO 0.62 0.00 0.00 0.39 -2.18 0.00 0.00 179.01 177.84 1jsx n GLU 179 N -4.15 0.16 -4.75 1.92 4.71 -1.26 -4.68 120.64 112.59 1jsx n GLU 179 Ca 0.18 0.17 -0.25 0.00 -0.01 0.00 0.00 57.16 57.26 1jsx n GLU 179 Cb 0.99 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.77 1jsx n GLU 179 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1jsx s TYR 180 N -2.64 1.71 0.00 -0.32 2.02 0.27 0.08 117.35 118.47 1jsx s TYR 180 Ca 0.12 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 1jsx s TYR 180 Cb 0.09 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.58 1jsx s TYR 180 CO 0.22 0.03 -0.18 1.14 -1.57 0.00 0.00 175.55 175.19 1jsx s GLN 181 N -0.82 1.37 -0.47 -0.62 -2.07 0.11 -4.75 119.66 112.41 1jsx s GLN 181 Ca 0.07 -0.71 -0.29 0.00 -1.82 0.00 0.00 55.36 52.62 1jsx s GLN 181 Cb -0.08 -1.36 0.02 0.00 -1.09 0.00 0.00 33.01 30.50 1jsx s GLN 181 CO 0.01 0.37 1.25 0.08 -1.32 0.00 0.00 175.29 175.67 1jsx s VAL 182 N -0.53 4.07 0.20 3.63 1.01 -1.26 -0.74 120.40 126.77 1jsx s VAL 182 Ca 0.06 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.19 1jsx s VAL 182 Cb -0.07 -4.48 -0.11 0.00 0.00 0.00 0.00 36.38 31.71 1jsx s VAL 182 CO 0.00 -0.98 1.46 -0.08 0.00 0.00 0.00 175.10 175.50 1jsx h GLU 183 N 9.84 0.03 -2.06 2.72 4.81 -0.50 -3.48 114.58 125.95 1jsx h GLU 183 Ca -0.25 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1jsx h GLU 183 Cb 1.08 0.01 -0.16 0.00 0.63 0.00 0.00 28.75 30.30 1jsx h GLU 183 CO 1.12 0.81 0.57 -1.54 -0.73 0.00 0.00 179.01 179.24 1jsx s SER 184 N -6.81 -0.31 -0.08 1.04 1.04 -1.04 -5.02 113.70 102.52 1jsx s SER 184 Ca -0.01 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1jsx s SER 184 Cb 0.11 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.58 1jsx s SER 184 CO 0.79 -0.52 -0.03 -0.69 0.98 0.00 0.00 173.24 173.78 1jsx s VAL 185 N -2.87 0.61 -0.37 5.02 1.01 -1.26 -0.74 120.40 121.81 1jsx s VAL 185 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1jsx s VAL 185 Cb -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1jsx s VAL 185 CO -0.08 0.29 0.22 -0.69 0.00 0.00 0.00 175.10 174.84 1jsx s VAL 186 N 1.77 4.77 -0.29 2.92 1.01 0.01 -4.93 120.40 125.65 1jsx s VAL 186 Ca 0.03 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1jsx s VAL 186 Cb -0.13 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jsx s VAL 186 CO -0.05 -0.17 0.82 -0.75 0.00 0.00 0.00 175.10 174.94 1jsx s LYS 187 N 1.60 4.03 -0.18 2.72 2.20 -1.26 -0.81 119.74 128.03 1jsx s LYS 187 Ca 0.03 0.71 -0.07 0.00 -0.36 0.00 0.00 55.97 56.28 1jsx s LYS 187 Cb -0.19 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 1jsx s LYS 187 CO 0.08 -0.65 0.06 -0.51 -0.36 0.00 0.00 175.35 173.97 1jsx s LEU 188 N 2.97 3.81 -0.53 5.43 1.43 0.63 -5.01 118.68 127.41 1jsx s LEU 188 Ca 0.34 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1jsx s LEU 188 Cb -0.14 -1.96 0.15 0.00 0.03 0.00 0.00 46.19 44.26 1jsx s LEU 188 CO 0.11 0.17 0.34 -1.10 0.23 0.00 0.00 176.35 176.10 1jsx s GLN 189 N 0.39 1.70 0.08 1.70 -0.21 -1.26 -3.26 119.66 118.80 1jsx s GLN 189 Ca 0.03 -2.53 0.00 0.00 0.02 0.00 0.00 55.36 52.88 1jsx s GLN 189 Cb -0.12 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.21 1jsx s GLN 189 CO 0.00 -1.23 0.00 0.28 -2.12 0.00 0.00 175.29 172.23 1jsx n VAL 190 N 2.88 0.77 0.00 1.09 0.31 -1.26 -5.16 118.33 116.96 1jsx n VAL 190 Ca 0.15 0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 1jsx n VAL 190 Cb 0.36 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1jsx n VAL 190 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1jsx n PRO 191 N -3.32 0.00 0.00 5.55 -0.02 -1.26 -5.10 135.00 130.85 1jsx n PRO 191 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1jsx n PRO 191 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.63 1jsx n PRO 191 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1jsx n ASP 194 N 0.00 0.00 -2.18 2.55 9.92 -1.26 -5.14 116.55 120.43 1jsx n ASP 194 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1jsx n ASP 194 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1jsx n ASP 194 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jsx n GLY 195 N 0.00 4.89 3.69 0.44 0.00 -1.26 -4.96 105.19 107.99 1jsx n GLY 195 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1jsx n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jsx s GLU 196 N -2.71 4.42 -0.01 1.61 2.12 -1.26 -4.53 118.70 118.34 1jsx s GLU 196 Ca 0.48 1.24 0.01 0.00 0.36 0.00 0.00 54.97 57.06 1jsx s GLU 196 Cb 0.37 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 31.24 1jsx s GLU 196 CO -0.06 -0.23 -0.02 0.50 -0.54 0.00 0.00 175.26 174.92 1jsx s ARG 197 N 1.73 0.19 -0.08 4.30 6.06 -1.19 -4.29 118.95 125.66 1jsx s ARG 197 Ca 0.45 -0.04 -0.01 0.00 -2.50 0.00 0.00 55.73 53.63 1jsx s ARG 197 Cb -0.18 -0.22 0.03 0.00 0.06 0.00 0.00 34.95 34.63 1jsx s ARG 197 CO 0.18 0.01 -0.03 -1.01 -2.50 0.00 0.00 175.30 171.95 1jsx s HIS 198 N 0.15 0.97 -0.31 5.12 3.76 -0.18 -0.27 115.29 124.53 1jsx s HIS 198 Ca -0.01 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.39 1jsx s HIS 198 Cb -0.03 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.70 1jsx s HIS 198 CO -0.00 -0.37 0.31 -1.17 -0.85 0.00 0.00 174.74 172.66 1jsx s LEU 199 N 1.72 4.29 -0.19 0.89 2.96 0.01 0.04 118.68 128.39 1jsx s LEU 199 Ca 0.02 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1jsx s LEU 199 Cb -0.13 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1jsx s LEU 199 CO -0.05 -0.23 0.24 -0.69 -1.32 0.00 0.00 176.35 174.29 1jsx s VAL 200 N 1.93 5.33 -0.24 1.68 1.01 0.64 -0.81 120.40 129.94 1jsx s VAL 200 Ca 0.11 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.47 1jsx s VAL 200 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1jsx s VAL 200 CO 0.11 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 1jsx s VAL 201 N 0.60 3.11 0.06 2.92 1.01 0.08 -1.49 120.40 126.70 1jsx s VAL 201 Ca 0.13 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.44 1jsx s VAL 201 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1jsx s VAL 201 CO 0.03 0.31 -0.24 -0.63 0.00 0.00 0.00 175.10 174.57 1jsx s ILE 202 N 1.40 2.38 0.05 2.22 1.01 0.04 0.29 121.20 128.60 1jsx s ILE 202 Ca 0.03 -1.38 0.02 0.00 0.00 0.00 0.00 60.65 59.32 1jsx s ILE 202 Cb -0.15 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1jsx s ILE 202 CO -0.04 0.32 -0.07 -0.54 0.00 0.00 0.00 174.94 174.61 1jsx s LYS 203 N -1.43 0.59 0.12 2.79 1.02 0.08 -0.32 119.74 122.58 1jsx s LYS 203 Ca 0.13 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1jsx s LYS 203 Cb -0.10 -0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.93 1jsx s LYS 203 CO 0.04 0.02 1.01 0.00 -0.92 0.00 0.00 175.35 175.49 1jsx s ALA 204 N -2.02 3.28 0.27 5.17 0.00 -1.26 0.06 121.76 127.26 1jsx s ALA 204 Ca -0.05 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1jsx s ALA 204 Cb -0.06 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 1jsx s ALA 204 CO -0.01 -0.10 1.24 -0.80 0.00 0.00 0.00 175.76 176.09 1jsx s ASN 205 N 0.08 6.96 0.53 0.00 0.01 0.11 -4.86 114.94 117.78 1jsx s ASN 205 Ca 0.48 2.47 -0.20 0.00 -0.71 0.00 0.00 52.86 54.90 1jsx s ASN 205 Cb -0.25 -2.63 -0.06 0.00 0.41 0.00 0.00 41.25 38.72 1jsx s ASN 205 CO 0.31 -0.41 1.15 -0.54 -1.51 0.00 0.00 177.10 176.09 1jsx s LYS 206 N -1.13 3.40 0.00 -0.60 -0.14 -1.26 -4.93 119.74 115.07 1jsx s LYS 206 Ca 0.50 1.69 0.00 0.00 -1.36 0.00 0.00 55.97 56.80 1jsx s LYS 206 Cb -0.36 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 1jsx s LYS 206 CO 0.45 -0.83 0.00 -0.89 -0.76 0.00 0.00 175.35 173.32