#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjv n SER 2 N 0.00 0.78 -4.11 6.12 7.64 -1.26 -4.73 113.62 118.07 1rjv n SER 2 Ca 0.00 0.13 -0.39 0.00 1.01 0.00 0.00 58.87 59.62 1rjv n SER 2 Cb 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1rjv n SER 2 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1rjv n MET 3 N -3.28 2.20 0.00 1.43 2.00 -1.26 -1.73 117.12 116.48 1rjv n MET 3 Ca -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 57.70 55.16 1rjv n MET 3 Cb 0.19 -3.34 0.00 0.00 0.00 0.00 0.00 33.22 30.07 1rjv n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1rjv n THR 4 N 6.36 0.00 -0.05 2.03 -1.04 -1.26 -4.80 114.28 115.52 1rjv n THR 4 Ca 0.49 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.43 1rjv n THR 4 Cb 0.43 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.89 1rjv n THR 4 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1rjv n ASP 5 N 0.00 3.11 -0.06 8.00 -0.08 -0.81 -1.64 116.55 125.07 1rjv n ASP 5 Ca 0.00 -0.05 -0.12 0.00 -1.51 0.00 0.00 54.79 53.12 1rjv n ASP 5 Cb 0.00 -0.01 -0.05 0.00 2.34 0.00 0.00 41.12 43.39 1rjv n ASP 5 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1rjv h LEU 6 N 0.00 0.30 0.00 -2.67 3.38 -1.63 -3.41 115.31 111.28 1rjv h LEU 6 Ca -0.24 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1rjv h LEU 6 Cb 1.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1rjv h LEU 6 CO -0.03 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.21 1rjv n LEU 7 N -4.73 0.51 0.00 1.67 7.99 -1.25 -4.98 117.00 116.20 1rjv n LEU 7 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 1rjv n LEU 7 Cb 0.21 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.52 1rjv n LEU 7 CO 0.36 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.83 1rjv n ASN 8 N -0.17 0.00 -0.29 -1.43 3.02 -1.17 -4.95 115.26 110.26 1rjv n ASN 8 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.73 1rjv n ASN 8 Cb 0.00 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.62 1rjv n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rjv h ALA 9 N 0.00 2.04 0.41 5.41 0.00 -1.62 0.86 119.26 126.35 1rjv h ALA 9 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1rjv h ALA 9 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1rjv h ALA 9 CO 0.00 -0.37 -0.38 0.93 0.00 0.00 0.00 179.25 179.43 1rjv h GLU 10 N 0.53 -0.77 -0.60 0.00 5.08 -1.97 -1.66 114.58 115.18 1rjv h GLU 10 Ca 0.52 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.85 1rjv h GLU 10 Cb 1.13 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1rjv h GLU 10 CO -0.26 -0.52 0.03 -0.44 -1.00 0.00 0.00 179.01 176.83 1rjv h ASP 11 N -0.80 0.99 -0.96 1.42 3.32 -1.69 -2.49 116.42 116.21 1rjv h ASP 11 Ca -0.03 -0.26 0.16 0.00 0.02 0.00 0.00 57.03 56.91 1rjv h ASP 11 Cb 0.71 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 39.91 1rjv h ASP 11 CO -0.05 1.02 0.61 0.40 -1.72 0.00 0.00 179.24 179.50 1rjv h ILE 12 N 0.94 0.81 -0.87 0.35 5.03 -0.77 -1.45 117.51 121.54 1rjv h ILE 12 Ca 0.18 -0.26 0.03 0.00 -0.12 0.00 0.00 64.86 64.68 1rjv h ILE 12 Cb 0.50 -0.03 -0.05 0.00 -3.03 0.00 0.00 36.82 34.21 1rjv h ILE 12 CO 0.02 0.14 0.56 0.50 -0.68 0.00 0.00 178.15 178.69 1rjv h LYS 13 N 0.77 1.06 -0.07 2.37 3.64 -0.82 0.70 116.57 124.22 1rjv h LYS 13 Ca 0.50 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.68 1rjv h LYS 13 Cb 0.76 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1rjv h LYS 13 CO -0.27 0.70 -0.58 0.87 -2.27 0.00 0.00 179.45 177.90 1rjv h LYS 14 N 1.09 0.22 0.85 1.90 1.57 -1.31 -2.27 116.57 118.61 1rjv h LYS 14 Ca 0.34 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1rjv h LYS 14 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1rjv h LYS 14 CO -0.11 0.73 -0.45 0.00 -0.57 0.00 0.00 179.45 179.05 1rjv h ALA 15 N 1.24 -1.30 -0.83 3.86 0.00 -0.58 -0.36 119.26 121.30 1rjv h ALA 15 Ca -0.00 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.82 1rjv h ALA 15 Cb 1.06 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.32 1rjv h ALA 15 CO 0.09 -1.23 0.55 -0.39 0.00 0.00 0.00 179.25 178.27 1rjv h VAL 16 N -1.20 0.74 0.00 0.00 -1.51 -0.90 0.05 116.25 113.43 1rjv h VAL 16 Ca -0.12 -0.14 -0.04 0.00 -1.23 0.00 0.00 66.70 65.17 1rjv h VAL 16 Cb 0.93 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1rjv h VAL 16 CO 0.16 0.08 -0.21 1.23 -1.23 0.00 0.00 177.57 177.60 1rjv h GLY 17 N 0.42 0.00 0.40 5.19 0.00 -1.19 -2.71 103.07 105.19 1rjv h GLY 17 Ca 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 1rjv h GLY 17 CO -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.35 1rjv h ALA 18 N 1.79 -0.14 -0.00 3.60 0.00 0.81 -3.07 119.26 122.25 1rjv h ALA 18 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rjv h ALA 18 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rjv h ALA 18 CO 0.03 -0.28 0.00 1.19 0.00 0.00 0.00 179.25 180.19 1rjv n PHE 19 N -4.89 0.00 -1.00 0.00 3.72 -1.21 -4.68 117.46 109.41 1rjv n PHE 19 Ca -0.08 -0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.98 1rjv n PHE 19 Cb 0.28 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.79 1rjv n PHE 19 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1rjv n SER 20 N -0.79 3.96 -0.88 4.37 2.88 -1.02 -4.70 113.62 117.44 1rjv n SER 20 Ca 0.15 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1rjv n SER 20 Cb 0.07 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjv n ALA 21 N 5.71 0.00 -3.81 -1.46 0.00 -1.26 -5.02 120.51 114.66 1rjv n ALA 21 Ca 0.48 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1rjv n ALA 21 Cb 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.56 1rjv n ALA 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rjv s THR 22 N -2.72 0.89 0.00 0.00 -4.23 -1.26 -4.68 115.64 103.63 1rjv s THR 22 Ca 0.00 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1rjv s THR 22 Cb 0.00 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1rjv s THR 22 CO 0.00 -0.14 0.00 -0.67 -0.54 0.00 0.00 174.62 173.27 1rjv n ASP 23 N 4.92 0.00 -3.35 3.99 2.03 -1.26 -4.90 116.55 117.98 1rjv n ASP 23 Ca -0.10 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.82 1rjv n ASP 23 Cb 0.46 -0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1rjv n SER 24 N 0.00 8.46 -4.79 1.67 2.88 -1.26 -4.76 113.62 115.82 1rjv n SER 24 Ca 0.00 -2.64 -0.34 0.00 -1.33 0.00 0.00 58.87 54.56 1rjv n SER 24 Cb 0.00 -1.55 -0.01 0.00 -0.75 0.00 0.00 64.21 61.91 1rjv n SER 24 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1rjv s PHE 25 N 1.89 2.88 -0.35 0.66 5.36 -1.26 -4.61 117.98 122.54 1rjv s PHE 25 Ca 0.67 1.55 0.13 0.00 -0.96 0.00 0.00 56.93 58.32 1rjv s PHE 25 Cb 0.18 -3.12 0.42 0.00 -0.34 0.00 0.00 43.02 40.15 1rjv s PHE 25 CO -0.06 -1.16 1.39 -3.47 -1.46 0.00 0.00 175.22 170.45 1rjv n ASP 26 N -1.42 -1.11 -0.29 6.13 -0.08 -1.26 -5.03 116.55 113.48 1rjv n ASP 26 Ca 0.10 -2.32 0.00 0.00 -1.51 0.00 0.00 54.79 51.06 1rjv n ASP 26 Cb 0.52 0.60 0.07 0.00 2.34 0.00 0.00 41.12 44.66 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1rjv h HIS 27 N 1.67 -0.67 -0.33 -0.67 2.07 -1.97 0.40 115.15 115.65 1rjv h HIS 27 Ca -0.33 0.08 0.04 0.00 -2.85 0.00 0.00 60.37 57.31 1rjv h HIS 27 Cb 1.29 0.42 -0.04 0.00 2.57 0.00 0.00 27.41 31.65 1rjv h HIS 27 CO 0.10 -0.37 0.09 1.57 -3.07 0.00 0.00 177.93 176.24 1rjv h LYS 28 N -0.04 0.21 -0.22 5.12 -0.00 -1.87 -0.96 116.57 118.81 1rjv h LYS 28 Ca 0.35 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.94 1rjv h LYS 28 Cb 0.60 -0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 32.77 1rjv h LYS 28 CO -0.85 0.14 -0.08 0.87 -0.00 0.00 0.00 179.45 179.53 1rjv h LYS 29 N 0.21 0.44 -0.15 0.07 1.79 -1.35 -0.06 116.57 117.52 1rjv h LYS 29 Ca 0.15 -0.18 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1rjv h LYS 29 Cb 0.15 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 1rjv h LYS 29 CO -0.18 0.70 -0.37 0.35 -1.08 0.00 0.00 179.45 178.87 1rjv h PHE 30 N 0.15 -1.13 -0.85 -1.35 3.04 -0.20 0.28 116.94 116.89 1rjv h PHE 30 Ca 0.05 0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.10 1rjv h PHE 30 Cb 0.56 0.51 -0.05 0.00 2.56 0.00 0.00 35.95 39.53 1rjv h PHE 30 CO 0.06 -0.36 0.56 0.74 -2.02 0.00 0.00 178.31 177.28 1rjv h PHE 31 N -0.36 0.99 -0.33 0.41 -1.00 -0.97 0.17 116.94 115.84 1rjv h PHE 31 Ca 0.03 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.72 1rjv h PHE 31 Cb 0.44 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1rjv h PHE 31 CO -0.59 0.54 -0.24 1.96 -1.61 0.00 0.00 178.31 178.37 1rjv h GLN 32 N 0.99 0.75 0.33 1.51 4.20 -0.78 -0.86 115.11 121.25 1rjv h GLN 32 Ca 0.35 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1rjv h GLN 32 Cb 0.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1rjv h GLN 32 CO -0.12 0.98 -0.16 0.52 -0.67 0.00 0.00 178.83 179.38 1rjv h MET 33 N 0.52 -0.42 0.00 1.46 2.86 0.22 -3.08 114.93 116.49 1rjv h MET 33 Ca 0.06 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1rjv h MET 33 Cb 0.80 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1rjv h MET 33 CO 0.06 -0.11 -0.07 -0.24 1.06 0.00 0.00 176.91 177.62 1rjv h VAL 34 N -0.78 0.38 -0.05 -2.22 3.04 -0.81 -3.45 116.25 112.36 1rjv h VAL 34 Ca -0.04 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.26 1rjv h VAL 34 Cb 0.51 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1rjv h VAL 34 CO 0.07 0.07 -0.02 0.61 -1.01 0.00 0.00 177.57 177.29 1rjv n GLY 35 N -0.74 0.50 0.24 3.17 0.00 -0.47 -4.57 105.19 103.31 1rjv n GLY 35 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 1rjv n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rjv h LEU 36 N 0.00 -0.60 -1.89 0.99 3.38 -1.52 0.28 115.31 115.95 1rjv h LEU 36 Ca -0.02 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rjv h LEU 36 Cb 0.11 0.38 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1rjv h LEU 36 CO 0.03 -0.21 0.06 0.11 0.09 0.00 0.00 178.44 178.52 1rjv h LYS 37 N -0.02 0.13 0.00 1.13 1.57 -1.88 -2.69 116.57 114.80 1rjv h LYS 37 Ca 0.27 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.89 1rjv h LYS 37 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1rjv h LYS 37 CO -0.60 0.09 -0.70 1.57 -0.57 0.00 0.00 179.45 179.25 1rjv h LYS 38 N 0.13 0.00 -7.42 3.15 2.10 -0.82 -3.46 116.57 110.25 1rjv h LYS 38 Ca 0.04 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.20 1rjv h LYS 38 Cb -0.00 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 31.44 1rjv h LYS 38 CO -0.01 0.70 0.34 0.15 -2.00 0.00 0.00 179.45 178.63 1rjv s LYS 39 N -3.34 2.01 0.67 0.07 -0.14 -0.17 -5.05 119.74 113.80 1rjv s LYS 39 Ca -0.00 0.59 -0.16 0.00 -1.36 0.00 0.00 55.97 55.04 1rjv s LYS 39 Cb 0.12 -1.91 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 1rjv s LYS 39 CO 0.77 -1.66 1.17 -1.12 -0.76 0.00 0.00 175.35 173.76 1rjv s SER 40 N -3.94 4.77 0.43 2.83 0.01 -1.26 -4.91 113.70 111.63 1rjv s SER 40 Ca 0.61 2.25 0.11 0.00 1.31 0.00 0.00 55.95 60.22 1rjv s SER 40 Cb -0.14 -2.58 0.96 0.00 0.21 0.00 0.00 66.02 64.47 1rjv s SER 40 CO 0.54 -1.87 2.04 0.00 0.41 0.00 0.00 173.24 174.36 1rjv h ALA 41 N 0.15 1.86 -0.17 1.44 0.00 -1.94 -1.40 119.26 119.21 1rjv h ALA 41 Ca -0.48 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rjv h ALA 41 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1rjv h ALA 41 CO 0.53 0.08 0.05 -0.44 0.00 0.00 0.00 179.25 179.47 1rjv h ASP 42 N 0.45 0.21 0.53 0.00 5.19 -2.00 -1.77 116.42 119.03 1rjv h ASP 42 Ca 0.19 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 1rjv h ASP 42 Cb 0.19 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.65 1rjv h ASP 42 CO -0.05 0.21 -0.26 -0.78 -3.12 0.00 0.00 179.24 175.24 1rjv h ASP 43 N 0.23 -0.61 -0.96 6.45 1.82 -1.62 -3.22 116.42 118.52 1rjv h ASP 43 Ca 0.06 -0.05 0.26 0.00 -0.39 0.00 0.00 57.03 56.91 1rjv h ASP 43 Cb 0.08 0.16 -0.13 0.00 0.68 0.00 0.00 39.33 40.11 1rjv h ASP 43 CO -0.00 -0.24 0.49 0.58 -1.61 0.00 0.00 179.24 178.46 1rjv h VAL 44 N -1.04 0.43 -1.00 2.25 2.07 -1.26 0.41 116.25 118.10 1rjv h VAL 44 Ca -0.07 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.48 1rjv h VAL 44 Cb 0.62 -0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 1rjv h VAL 44 CO 0.12 0.08 0.62 0.50 0.02 0.00 0.00 177.57 178.90 1rjv h LYS 45 N 0.42 0.75 0.03 1.57 3.64 -1.34 -1.83 116.57 119.82 1rjv h LYS 45 Ca 0.64 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.70 1rjv h LYS 45 Cb 1.29 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 1rjv h LYS 45 CO -0.55 0.50 -1.45 0.87 -2.27 0.00 0.00 179.45 176.55 1rjv h LYS 46 N 0.78 0.07 0.12 1.90 6.56 -0.36 -3.31 116.57 122.33 1rjv h LYS 46 Ca 0.56 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 60.06 1rjv h LYS 46 Cb 0.86 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.52 1rjv h LYS 46 CO -0.36 0.82 -0.53 0.28 -2.06 0.00 0.00 179.45 177.60 1rjv h VAL 47 N 0.02 0.00 -0.87 0.50 2.07 -0.12 -2.23 116.25 115.62 1rjv h VAL 47 Ca -0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.42 1rjv h VAL 47 Cb 1.94 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1rjv h VAL 47 CO 0.11 0.00 0.56 0.15 0.02 0.00 0.00 177.57 178.42 1rjv h PHE 48 N -0.76 0.92 -0.92 1.57 3.57 -1.53 0.14 116.94 119.94 1rjv h PHE 48 Ca -0.01 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.75 1rjv h PHE 48 Cb 0.76 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1rjv h PHE 48 CO -0.45 0.43 0.62 1.12 -2.23 0.00 0.00 178.31 177.80 1rjv h HIS 49 N 0.86 0.40 0.26 0.41 2.07 -1.50 -0.74 115.15 116.90 1rjv h HIS 49 Ca 0.40 0.01 -0.34 0.00 -2.85 0.00 0.00 60.37 57.59 1rjv h HIS 49 Cb 0.39 -0.12 0.04 0.00 2.57 0.00 0.00 27.41 30.29 1rjv h HIS 49 CO -0.00 0.09 -1.49 1.98 -3.07 0.00 0.00 177.93 175.44 1rjv h MET 50 N 0.29 0.54 -0.38 5.12 1.85 -0.29 -3.33 114.93 118.73 1rjv h MET 50 Ca 0.47 -0.93 -0.05 0.00 -0.61 0.00 0.00 59.70 58.59 1rjv h MET 50 Cb 1.37 0.35 -0.01 0.00 0.43 0.00 0.00 31.60 33.73 1rjv h MET 50 CO -0.14 1.44 0.05 -0.07 -0.40 0.00 0.00 176.91 177.79 1rjv h LEU 51 N 0.15 0.61 -8.99 3.39 4.07 -1.07 -3.30 115.31 110.17 1rjv h LEU 51 Ca -0.26 -0.27 -0.58 0.00 0.08 0.00 0.00 57.88 56.85 1rjv h LEU 51 Cb 2.18 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.74 1rjv h LEU 51 CO 0.28 0.72 1.37 -0.62 -1.08 0.00 0.00 178.44 179.11 1rjv s ASP 52 N -6.06 5.76 -0.70 -0.43 2.15 -0.34 -4.69 116.67 112.35 1rjv s ASP 52 Ca -0.13 1.75 -0.01 0.00 0.43 0.00 0.00 52.55 54.59 1rjv s ASP 52 Cb 0.10 -2.52 0.42 0.00 -0.30 0.00 0.00 42.92 40.61 1rjv s ASP 52 CO 0.77 -1.74 1.96 0.29 -0.17 0.00 0.00 175.17 176.28 1rjv n LYS 53 N 8.45 2.79 0.00 4.34 4.01 -1.26 -4.09 118.16 132.40 1rjv n LYS 53 Ca 0.26 -3.45 0.00 0.00 -0.51 0.00 0.00 58.31 54.60 1rjv n LYS 53 Cb 0.45 -2.28 0.00 0.00 -0.51 0.00 0.00 35.03 32.69 1rjv n LYS 53 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1rjv n ASP 54 N -0.77 0.00 -0.17 4.39 5.68 -1.26 -5.06 116.55 119.36 1rjv n ASP 54 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.87 1rjv n ASP 54 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rjv n LYS 55 N -0.79 0.00 -0.08 0.11 5.02 -1.26 -5.03 118.16 116.14 1rjv n LYS 55 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1rjv n LYS 55 Cb 0.00 -1.21 -0.15 0.00 -0.02 0.00 0.00 35.03 33.65 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rjv n SER 56 N 0.71 0.35 0.00 4.39 3.41 -1.26 -5.02 113.62 116.21 1rjv n SER 56 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1rjv n SER 56 Cb 0.22 0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 1rjv n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjv n GLY 57 N 1.71 0.93 2.76 5.00 0.00 -1.26 -5.08 105.19 109.25 1rjv n GLY 57 Ca -0.29 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 1rjv n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rjv s PHE 58 N -2.00 -0.39 -0.00 1.61 0.08 -1.26 -4.76 117.98 111.26 1rjv s PHE 58 Ca 0.00 0.00 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 1rjv s PHE 58 Cb 0.00 -0.41 -0.05 0.00 -0.57 0.00 0.00 43.02 41.99 1rjv s PHE 58 CO 0.00 -0.79 1.25 0.42 -0.10 0.00 0.00 175.22 176.00 1rjv s ILE 59 N 2.35 4.05 0.18 0.64 1.01 -1.08 -4.93 121.20 123.42 1rjv s ILE 59 Ca 0.09 1.42 0.08 0.00 0.00 0.00 0.00 60.65 62.24 1rjv s ILE 59 Cb -0.15 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1rjv s ILE 59 CO -0.25 0.03 -0.16 -1.61 0.00 0.00 0.00 174.94 172.96 1rjv s GLU 60 N 1.88 1.25 0.38 2.79 2.02 -1.26 -2.84 118.70 122.91 1rjv s GLU 60 Ca 0.59 -1.46 0.19 0.00 0.02 0.00 0.00 54.97 54.30 1rjv s GLU 60 Cb -0.28 -1.15 1.17 0.00 0.10 0.00 0.00 34.13 33.97 1rjv s GLU 60 CO 0.25 0.21 1.68 1.05 0.02 0.00 0.00 175.26 178.47 1rjv h GLU 61 N 2.97 0.28 -0.60 1.61 4.11 -1.96 0.15 114.58 121.14 1rjv h GLU 61 Ca -0.40 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.08 1rjv h GLU 61 Cb 1.21 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1rjv h GLU 61 CO 0.56 0.18 -0.52 -0.44 0.07 0.00 0.00 179.01 178.86 1rjv h ASP 62 N 0.29 -1.83 1.14 3.06 5.19 -2.01 -2.23 116.42 120.03 1rjv h ASP 62 Ca 0.73 0.26 -0.16 0.00 -0.62 0.00 0.00 57.03 57.23 1rjv h ASP 62 Cb 1.85 0.77 -0.02 0.00 0.18 0.00 0.00 39.33 42.11 1rjv h ASP 62 CO -0.50 -0.30 -0.90 -0.33 -3.12 0.00 0.00 179.24 174.09 1rjv h GLU 63 N -0.21 0.00 -0.48 3.56 5.08 -1.52 -3.34 114.58 117.66 1rjv h GLU 63 Ca 0.10 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 1rjv h GLU 63 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1rjv h GLU 63 CO -0.68 0.59 0.34 1.25 -1.00 0.00 0.00 179.01 179.52 1rjv h LEU 64 N 0.00 0.02 -0.60 1.33 6.46 -0.42 -0.63 115.31 121.48 1rjv h LEU 64 Ca -0.06 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.82 1rjv h LEU 64 Cb 1.57 -0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.39 1rjv h LEU 64 CO 0.08 0.01 -0.17 0.61 -0.62 0.00 0.00 178.44 178.35 1rjv n GLY 65 N -1.62 -1.07 2.62 3.75 0.00 -0.87 -3.79 105.19 104.20 1rjv n GLY 65 Ca 0.08 0.65 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 1rjv n GLY 65 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rjv n PHE 66 N -4.95 0.07 0.01 1.61 -1.74 -0.25 -0.02 117.46 112.19 1rjv n PHE 66 Ca 0.09 -2.69 0.13 0.00 -0.56 0.00 0.00 57.45 54.41 1rjv n PHE 66 Cb 0.28 0.14 0.57 0.00 1.52 0.00 0.00 39.48 41.99 1rjv n PHE 66 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1rjv h ILE 67 N 2.55 0.89 -0.21 1.97 -0.00 -1.64 -1.88 117.51 119.18 1rjv h ILE 67 Ca -0.12 -0.08 0.06 0.00 -0.00 0.00 0.00 64.86 64.72 1rjv h ILE 67 Cb 1.18 0.63 -0.01 0.00 -0.00 0.00 0.00 36.82 38.62 1rjv h ILE 67 CO 0.36 0.04 0.24 -0.07 -0.00 0.00 0.00 178.15 178.72 1rjv h LEU 68 N 0.24 0.00 -2.27 0.16 3.38 -1.87 -0.55 115.31 114.40 1rjv h LEU 68 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1rjv h LEU 68 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1rjv h LEU 68 CO -0.04 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.60 1rjv h LYS 69 N 0.00 0.00 0.02 1.13 1.57 -1.43 0.38 116.57 118.24 1rjv h LYS 69 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1rjv h LYS 69 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1rjv h LYS 69 CO -0.00 0.00 -0.01 0.78 -0.57 0.00 0.00 179.45 179.65 1rjv h GLY 70 N 0.25 -0.03 0.84 3.86 0.00 -1.17 -3.37 103.07 103.45 1rjv h GLY 70 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.37 1rjv h GLY 70 CO 0.00 -0.01 0.36 0.74 0.00 0.00 0.00 176.54 177.62 1rjv h PHE 71 N -0.71 0.66 -1.90 5.60 0.04 -1.16 -3.44 116.94 116.03 1rjv h PHE 71 Ca -0.00 0.02 0.33 0.00 2.80 0.00 0.00 57.97 61.12 1rjv h PHE 71 Cb 0.66 -0.21 -0.08 0.00 2.20 0.00 0.00 35.95 38.51 1rjv h PHE 71 CO 0.15 0.37 0.86 0.45 -0.60 0.00 0.00 178.31 179.54 1rjv s SER 72 N -5.63 -0.02 1.14 2.17 0.15 -0.06 -4.78 113.70 106.66 1rjv s SER 72 Ca -0.13 -0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.16 1rjv s SER 72 Cb 0.14 0.17 0.25 0.00 -1.71 0.00 0.00 66.02 64.87 1rjv s SER 72 CO 0.75 -0.33 1.09 -2.16 1.20 0.00 0.00 173.24 173.79 1rjv s PRO 73 N -2.16 -0.68 0.00 5.44 0.04 -1.26 -3.80 135.00 132.58 1rjv s PRO 73 Ca 0.24 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1rjv s PRO 73 Cb 0.01 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1rjv s PRO 73 CO -0.02 -3.41 0.00 -0.25 0.04 0.00 0.00 177.00 173.37 1rjv n ASP 74 N -4.60 -3.11 -0.21 6.66 8.00 -1.26 -4.92 116.55 117.11 1rjv n ASP 74 Ca 0.09 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.51 1rjv n ASP 74 Cb 0.58 -1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.02 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjv h ALA 75 N 0.00 -0.28 -1.52 2.24 0.00 -1.84 -3.49 119.26 114.36 1rjv h ALA 75 Ca 0.00 0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.21 1rjv h ALA 75 Cb 0.32 0.94 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1rjv h ALA 75 CO 0.00 -0.81 -0.32 0.54 0.00 0.00 0.00 179.25 178.66 1rjv n ARG 76 N -5.41 -1.39 -2.72 0.00 1.74 -1.26 -4.78 116.66 102.84 1rjv n ARG 76 Ca 0.02 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.65 1rjv n ARG 76 Cb 0.35 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1rjv n ARG 76 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rjv s ASP 77 N -5.13 7.14 0.73 0.55 2.15 -1.26 -4.44 116.67 116.42 1rjv s ASP 77 Ca 0.00 1.41 -0.16 0.00 0.43 0.00 0.00 52.55 54.23 1rjv s ASP 77 Cb 0.00 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1rjv s ASP 77 CO 0.00 -0.52 0.96 0.18 -0.17 0.00 0.00 175.17 175.62 1rjv n LEU 78 N 5.53 3.41 -4.75 -1.34 4.77 0.97 -4.99 117.00 120.60 1rjv n LEU 78 Ca 0.09 0.65 -0.36 0.00 -0.03 0.00 0.00 56.01 56.36 1rjv n LEU 78 Cb 0.48 -1.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1rjv n LEU 78 CO 0.51 -2.08 0.84 -0.55 -1.33 0.00 0.00 177.39 174.78 1rjv s SER 79 N -1.69 5.09 0.45 -1.43 0.15 -1.26 -4.80 113.70 110.21 1rjv s SER 79 Ca 0.73 2.38 0.16 0.00 0.70 0.00 0.00 55.95 59.92 1rjv s SER 79 Cb -0.34 -2.60 1.09 0.00 -1.71 0.00 0.00 66.02 62.47 1rjv s SER 79 CO 0.51 -1.66 1.97 0.00 1.20 0.00 0.00 173.24 175.26 1rjv h ALA 80 N 0.76 2.11 0.05 5.45 0.00 -1.99 0.56 119.26 126.19 1rjv h ALA 80 Ca -0.50 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 1rjv h ALA 80 Cb 1.30 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1rjv h ALA 80 CO 0.55 -0.26 -1.03 0.87 0.00 0.00 0.00 179.25 179.38 1rjv h LYS 81 N 0.34 0.25 0.81 0.00 1.79 -1.98 -2.56 116.57 115.22 1rjv h LYS 81 Ca 0.29 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1rjv h LYS 81 Cb 0.67 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1rjv h LYS 81 CO -0.07 1.08 -0.39 0.93 -1.08 0.00 0.00 179.45 179.92 1rjv h GLU 82 N 0.11 -1.05 -0.68 3.15 5.08 -1.49 -2.22 114.58 117.48 1rjv h GLU 82 Ca -0.08 0.07 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1rjv h GLU 82 Cb 1.71 0.24 -0.07 0.00 0.50 0.00 0.00 28.75 31.13 1rjv h GLU 82 CO 0.16 -0.69 0.32 0.00 -1.00 0.00 0.00 179.01 177.80 1rjv h THR 83 N -1.11 0.82 -0.22 1.13 1.03 -1.03 0.33 112.91 113.87 1rjv h THR 83 Ca -0.11 -0.18 0.05 0.00 -0.01 0.00 0.00 66.41 66.16 1rjv h THR 83 Cb 0.84 0.23 -0.07 0.00 -1.07 0.00 0.00 68.15 68.08 1rjv h THR 83 CO 0.18 0.10 -0.39 0.11 -0.01 0.00 0.00 175.52 175.51 1rjv h LYS 84 N 0.54 -0.40 0.12 0.00 1.57 -1.40 0.10 116.57 117.10 1rjv h LYS 84 Ca 0.34 0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.86 1rjv h LYS 84 Cb 0.38 0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.80 1rjv h LYS 84 CO -0.28 -0.27 -1.23 1.98 -0.57 0.00 0.00 179.45 179.09 1rjv h MET 85 N -0.41 0.52 -0.97 3.15 4.05 -0.81 -3.16 114.93 117.29 1rjv h MET 85 Ca 0.10 -0.72 0.02 0.00 -0.28 0.00 0.00 59.70 58.82 1rjv h MET 85 Cb 0.59 0.24 -0.05 0.00 -0.80 0.00 0.00 31.60 31.58 1rjv h MET 85 CO -0.44 1.32 0.64 1.25 0.23 0.00 0.00 176.91 179.91 1rjv h LEU 86 N 0.22 1.09 0.40 3.39 5.85 -0.30 0.32 115.31 126.29 1rjv h LEU 86 Ca -0.17 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1rjv h LEU 86 Cb 1.90 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 1rjv h LEU 86 CO 0.23 0.77 -0.38 -0.03 -0.34 0.00 0.00 178.44 178.69 1rjv h MET 87 N 1.28 -0.77 -0.41 1.25 4.05 -0.86 0.24 114.93 119.72 1rjv h MET 87 Ca 0.37 0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.78 1rjv h MET 87 Cb -0.09 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1rjv h MET 87 CO -0.10 -0.51 0.03 0.00 0.23 0.00 0.00 176.91 176.56 1rjv h ALA 88 N -0.39 0.55 0.00 0.39 0.00 -1.45 -2.61 119.26 115.74 1rjv h ALA 88 Ca -0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 1rjv h ALA 88 Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1rjv h ALA 88 CO -0.05 0.30 -1.18 0.00 0.00 0.00 0.00 179.25 178.32 1rjv h ALA 89 N 0.90 0.56 0.06 0.00 0.00 -0.41 -3.36 119.26 117.02 1rjv h ALA 89 Ca 0.12 -1.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1rjv h ALA 89 Cb 0.44 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1rjv h ALA 89 CO 0.02 1.22 -0.03 0.78 0.00 0.00 0.00 179.25 181.24 1rjv h GLY 90 N 3.30 -0.09 -7.05 0.00 0.00 -0.58 -3.34 103.07 95.31 1rjv h GLY 90 Ca -0.11 0.03 -0.58 0.00 0.00 0.00 0.00 47.33 46.67 1rjv h GLY 90 CO 0.10 -0.03 2.10 1.34 0.00 0.00 0.00 176.54 180.05 1rjv n ASP 91 N -4.90 3.65 0.27 0.19 2.03 -0.98 -4.66 116.55 112.14 1rjv n ASP 91 Ca -0.08 -2.79 0.17 0.00 0.52 0.00 0.00 54.79 52.61 1rjv n ASP 91 Cb 0.26 -1.58 0.69 0.00 -0.72 0.00 0.00 41.12 39.76 1rjv n ASP 91 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1rjv h LYS 92 N 7.92 0.00 -0.10 -0.67 1.79 -1.76 -2.88 116.57 120.86 1rjv h LYS 92 Ca 0.40 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.78 1rjv h LYS 92 Cb 0.80 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1rjv h LYS 92 CO 1.60 0.00 -0.36 -0.44 -1.08 0.00 0.00 179.45 179.17 1rjv h ASP 93 N 0.00 0.20 0.00 0.86 3.32 -1.92 -3.48 116.42 115.39 1rjv h ASP 93 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1rjv h ASP 93 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1rjv h ASP 93 CO 0.00 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 1rjv n GLY 94 N -0.35 0.74 0.23 2.75 0.00 -1.09 -5.01 105.19 102.46 1rjv n GLY 94 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 1rjv n GLY 94 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1rjv h ASP 95 N 0.00 0.87 0.00 1.61 3.32 -1.93 -3.48 116.42 116.81 1rjv h ASP 95 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1rjv h ASP 95 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1rjv h ASP 95 CO 0.00 1.23 0.00 0.61 -1.72 0.00 0.00 179.24 179.36 1rjv n GLY 96 N 0.32 0.73 3.24 2.75 0.00 -1.26 -5.11 105.19 105.87 1rjv n GLY 96 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1rjv n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjv s LYS 97 N -0.52 1.71 -0.04 1.61 3.01 -1.26 -4.80 119.74 119.45 1rjv s LYS 97 Ca 0.00 -0.81 -0.30 0.00 -1.01 0.00 0.00 55.97 53.85 1rjv s LYS 97 Cb 0.00 -1.69 -0.07 0.00 -1.01 0.00 0.00 37.83 35.06 1rjv s LYS 97 CO 0.00 0.46 1.86 0.42 0.51 0.00 0.00 175.35 178.60 1rjv s ILE 98 N -0.56 3.26 -0.11 2.17 1.01 -1.13 -4.48 121.20 121.36 1rjv s ILE 98 Ca 0.08 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 1rjv s ILE 98 Cb -0.08 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1rjv s ILE 98 CO -0.00 -0.05 -0.01 -0.83 0.00 0.00 0.00 174.94 174.05 1rjv s GLY 99 N 4.43 1.80 0.24 6.18 0.00 -1.26 -2.62 107.32 116.09 1rjv s GLY 99 Ca 0.83 -0.81 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 1rjv s GLY 99 CO 0.36 -0.38 1.68 -0.24 0.00 0.00 0.00 173.10 174.52 1rjv h VAL 100 N 4.51 0.51 -0.31 1.40 3.04 -1.94 0.07 116.25 123.53 1rjv h VAL 100 Ca -0.44 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.16 1rjv h VAL 100 Cb 1.19 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 1rjv h VAL 100 CO 0.58 0.04 0.16 -0.78 -1.01 0.00 0.00 177.57 176.56 1rjv h ASP 101 N 0.25 0.40 0.44 3.17 3.58 -1.97 0.48 116.42 122.76 1rjv h ASP 101 Ca 0.40 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 1rjv h ASP 101 Cb 0.67 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 1rjv h ASP 101 CO -0.51 0.40 -0.30 -0.33 -2.88 0.00 0.00 179.24 175.63 1rjv h GLU 102 N 0.37 -0.67 -0.73 0.28 5.08 -1.91 -3.32 114.58 113.68 1rjv h GLU 102 Ca 0.11 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.72 1rjv h GLU 102 Cb 0.10 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1rjv h GLU 102 CO -0.01 -0.45 0.52 0.35 -1.00 0.00 0.00 179.01 178.42 1rjv h PHE 103 N -0.70 0.08 -0.39 4.33 3.57 -0.38 0.34 116.94 123.80 1rjv h PHE 103 Ca -0.06 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.53 1rjv h PHE 103 Cb 0.57 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1rjv h PHE 103 CO -0.06 0.02 -0.22 1.03 -2.23 0.00 0.00 178.31 176.86 1rjv h SER 104 N 0.06 -0.73 0.00 0.41 0.87 -1.02 -3.32 113.55 109.82 1rjv h SER 104 Ca 0.35 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1rjv h SER 104 Cb 1.32 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1rjv h SER 104 CO -0.03 -0.24 -1.78 0.35 -0.53 0.00 0.00 176.83 174.60 1rjv n THR 105 N -5.38 0.00 -0.31 2.23 -2.24 0.84 -4.34 114.28 105.09 1rjv n THR 105 Ca 0.02 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.55 1rjv n THR 105 Cb 0.29 0.12 0.33 0.00 -2.10 0.00 0.00 70.33 68.97 1rjv n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rjv h LEU 106 N 0.00 0.21 -0.04 3.22 7.12 -0.64 0.21 115.31 125.39 1rjv h LEU 106 Ca 0.00 0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1rjv h LEU 106 Cb 0.80 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1rjv h LEU 106 CO 0.00 -0.10 -0.19 1.33 -0.13 0.00 0.00 178.44 179.36 1rjv n VAL 107 N -5.13 0.00 -0.04 1.05 0.24 -1.25 -1.23 118.33 111.96 1rjv n VAL 107 Ca 0.23 -0.01 -0.22 0.00 -2.04 0.00 0.00 64.34 62.31 1rjv n VAL 107 Cb 0.72 -0.18 -0.13 0.00 -1.47 0.00 0.00 33.84 32.79 1rjv n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjv h ALA 108 N 3.11 0.34 0.00 2.33 0.00 -1.06 -3.30 119.26 120.67 1rjv h ALA 108 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1rjv h ALA 108 Cb 0.47 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1rjv h ALA 108 CO 0.00 1.00 0.00 0.93 0.00 0.00 0.00 179.25 181.18 1rjv h GLU 109 N -0.45 0.00 0.00 0.00 4.39 -0.77 -3.52 114.58 114.23 1rjv h GLU 109 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1rjv h GLU 109 Cb 1.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1rjv h GLU 109 CO -0.05 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.67