#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 0.00 -4.52 6.12 2.88 -1.26 -4.82 113.62 112.02 1rjv n SER 2 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1rjv n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1rjv n SER 2 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1rjv n MET 3 N 0.21 0.37 0.00 -1.46 3.85 -1.26 -1.15 117.12 117.68 1rjv n MET 3 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 57.70 56.59 1rjv n MET 3 Cb 0.00 -2.25 0.00 0.00 -1.05 0.00 0.00 33.22 29.92 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 7.46 0.00 -0.01 3.17 -1.04 -1.26 -4.89 114.28 117.71 1rjv n THR 4 Ca 0.56 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.55 1rjv n THR 4 Cb 0.25 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.75 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 2.57 0.11 8.00 2.03 -0.30 -1.05 116.55 127.91 1rjv n ASP 5 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1rjv n ASP 5 Cb 0.00 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.31 1rjv n ASP 5 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1rjv h LEU 6 N -0.02 -0.47 0.00 -2.67 -0.00 -1.89 -3.39 115.31 106.88 1rjv h LEU 6 Ca -0.04 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1rjv h LEU 6 Cb 1.05 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1rjv h LEU 6 CO -0.01 -0.25 0.00 0.18 -0.00 0.00 0.00 178.44 178.36 1rjv n LEU 7 N -5.30 1.21 0.00 1.67 4.32 -1.26 -4.99 117.00 112.65 1rjv n LEU 7 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1rjv n LEU 7 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1rjv n LEU 7 CO 0.29 0.00 0.00 0.59 -1.22 0.00 0.00 177.39 177.05 1rjv n ASN 8 N -0.50 0.00 -0.33 -1.43 3.02 -1.24 -4.96 115.26 109.82 1rjv n ASN 8 Ca 0.00 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.78 1rjv n ASN 8 Cb 0.00 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 39.67 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 2.20 -0.42 5.41 0.00 -1.44 -0.40 119.26 124.61 1rjv h ALA 9 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1rjv h ALA 9 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rjv h ALA 9 CO 0.00 -0.63 0.17 0.93 0.00 0.00 0.00 179.25 179.72 1rjv h GLU 10 N 0.40 0.63 -0.11 0.00 5.08 -1.96 0.10 114.58 118.72 1rjv h GLU 10 Ca 0.61 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1rjv h GLU 10 Cb 1.51 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 1rjv h GLU 10 CO -0.32 0.59 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.82 1rjv h ASP 11 N 0.54 0.22 -0.77 1.42 3.32 -1.61 -2.69 116.42 116.85 1rjv h ASP 11 Ca 0.14 -0.36 0.12 0.00 0.02 0.00 0.00 57.03 56.96 1rjv h ASP 11 Cb 0.19 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.60 1rjv h ASP 11 CO -0.01 0.52 0.38 0.40 -1.72 0.00 0.00 179.24 178.81 1rjv h ILE 12 N -0.09 0.77 -0.30 0.35 5.03 -1.04 0.11 117.51 122.34 1rjv h ILE 12 Ca 0.03 -0.20 0.04 0.00 -0.12 0.00 0.00 64.86 64.61 1rjv h ILE 12 Cb 0.42 0.13 -0.04 0.00 -3.03 0.00 0.00 36.82 34.31 1rjv h ILE 12 CO 0.01 0.11 0.08 0.50 -0.68 0.00 0.00 178.15 178.17 1rjv h LYS 13 N 0.59 0.20 -0.10 2.37 1.63 -0.63 0.12 116.57 120.74 1rjv h LYS 13 Ca 0.40 -0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.08 1rjv h LYS 13 Cb 0.51 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1rjv h LYS 13 CO -0.33 0.13 -0.42 0.87 -3.45 0.00 0.00 179.45 176.25 1rjv h LYS 14 N 0.20 0.22 0.77 1.90 1.57 -1.11 -2.83 116.57 117.29 1rjv h LYS 14 Ca 0.14 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1rjv h LYS 14 Cb 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1rjv h LYS 14 CO -0.16 0.61 -0.48 0.00 -0.57 0.00 0.00 179.45 178.85 1rjv h ALA 15 N 1.38 -1.23 -0.98 3.86 0.00 -0.10 -2.53 119.26 119.66 1rjv h ALA 15 Ca 0.02 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.79 1rjv h ALA 15 Cb 0.82 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1rjv h ALA 15 CO 0.06 -1.21 0.63 0.28 0.00 0.00 0.00 179.25 179.01 1rjv h VAL 16 N -1.17 0.97 0.00 0.00 2.07 -1.05 0.19 116.25 117.26 1rjv h VAL 16 Ca -0.10 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1rjv h VAL 16 Cb 0.94 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1rjv h VAL 16 CO 0.10 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1rjv n GLY 17 N -1.37 -0.94 0.04 2.17 0.00 -1.07 -1.83 105.19 102.21 1rjv n GLY 17 Ca 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1rjv n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjv h ALA 18 N 2.05 0.00 0.00 4.61 0.00 -0.52 -3.36 119.26 122.04 1rjv h ALA 18 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rjv h ALA 18 Cb 0.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rjv h ALA 18 CO 0.00 0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.51 1rjv n PHE 19 N -4.34 0.00 -0.60 0.00 3.72 -1.21 -4.48 117.46 110.56 1rjv n PHE 19 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.07 1rjv n PHE 19 Cb 0.03 -0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.19 1rjv n PHE 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1rjv n SER 20 N -1.32 1.68 -2.22 4.37 7.64 -0.76 -4.72 113.62 118.29 1rjv n SER 20 Ca 0.08 -2.42 -0.08 0.00 1.01 0.00 0.00 58.87 57.46 1rjv n SER 20 Cb 0.15 -0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 62.60 1rjv n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv n ALA 21 N 7.16 -0.43 -0.27 -0.43 0.00 -1.26 -5.02 120.51 120.25 1rjv n ALA 21 Ca 0.37 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1rjv n ALA 21 Cb 0.29 0.78 0.00 0.00 0.00 0.00 0.00 19.45 20.52 1rjv n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rjv n THR 22 N -0.36 0.00 -0.01 0.00 -2.24 -1.26 -4.66 114.28 105.76 1rjv n THR 22 Ca -0.01 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1rjv n THR 22 Cb 0.37 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 1rjv n THR 22 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rjv n ASP 23 N -1.60 1.27 -2.62 3.42 5.75 -1.26 -0.62 116.55 120.89 1rjv n ASP 23 Ca 0.00 -1.27 -0.25 0.00 -0.01 0.00 0.00 54.79 53.26 1rjv n ASP 23 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1rjv n SER 24 N -0.14 6.87 -4.64 -1.12 2.88 -1.26 -4.51 113.62 111.70 1rjv n SER 24 Ca 0.00 -2.56 -0.43 0.00 -1.33 0.00 0.00 58.87 54.55 1rjv n SER 24 Cb 0.07 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.03 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 1.34 2.00 -0.44 0.66 5.36 -1.26 -4.74 117.98 120.90 1rjv s PHE 25 Ca 0.68 0.41 0.06 0.00 -0.96 0.00 0.00 56.93 57.12 1rjv s PHE 25 Cb 0.26 -3.95 0.42 0.00 -0.34 0.00 0.00 43.02 39.41 1rjv s PHE 25 CO -0.04 -3.36 1.08 -0.40 -1.46 0.00 0.00 175.22 171.05 1rjv n ASP 26 N 8.10 4.36 -0.29 6.13 5.75 -1.26 -4.96 116.55 134.38 1rjv n ASP 26 Ca 0.19 -3.62 0.04 0.00 -0.01 0.00 0.00 54.79 51.40 1rjv n ASP 26 Cb 0.44 -0.47 0.11 0.00 -1.03 0.00 0.00 41.12 40.17 1rjv n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rjv n HIS 27 N -0.42 0.27 -0.16 2.11 1.44 -1.26 -0.18 115.22 117.02 1rjv n HIS 27 Ca 0.36 0.99 -0.08 0.00 -2.01 0.00 0.00 57.72 56.97 1rjv n HIS 27 Cb 0.66 -0.96 -0.07 0.00 0.12 0.00 0.00 29.99 29.75 1rjv n HIS 27 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1rjv h LYS 28 N 0.00 -0.16 -0.20 -1.40 1.57 -1.93 0.13 116.57 114.58 1rjv h LYS 28 Ca 0.38 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1rjv h LYS 28 Cb 0.58 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1rjv h LYS 28 CO -0.83 -0.10 0.10 0.87 -0.57 0.00 0.00 179.45 178.91 1rjv h LYS 29 N -0.16 0.30 -0.08 3.15 1.57 -0.94 -1.91 116.57 118.49 1rjv h LYS 29 Ca 0.07 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1rjv h LYS 29 Cb 0.35 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 1rjv h LYS 29 CO -0.48 0.32 -0.28 0.35 -0.57 0.00 0.00 179.45 178.79 1rjv h PHE 30 N 0.20 -0.75 -0.50 -1.35 3.57 -0.89 0.31 116.94 117.53 1rjv h PHE 30 Ca 0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1rjv h PHE 30 Cb 0.12 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1rjv h PHE 30 CO -0.02 -0.36 0.20 0.74 -2.23 0.00 0.00 178.31 176.64 1rjv h PHE 31 N -0.38 0.71 0.04 0.41 -1.00 -0.72 0.73 116.94 116.74 1rjv h PHE 31 Ca 0.09 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 1rjv h PHE 31 Cb 0.50 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1rjv h PHE 31 CO -0.35 0.55 -0.02 1.96 -1.61 0.00 0.00 178.31 178.84 1rjv h GLN 32 N 0.71 -0.05 -0.45 1.51 4.20 -0.80 0.62 115.11 120.85 1rjv h GLN 32 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1rjv h GLN 32 Cb 0.14 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1rjv h GLN 32 CO -0.02 0.32 0.29 0.52 -0.67 0.00 0.00 178.83 179.27 1rjv h MET 33 N -0.43 0.60 0.00 1.46 2.86 -0.19 -1.98 114.93 117.25 1rjv h MET 33 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1rjv h MET 33 Cb 0.40 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1rjv h MET 33 CO 0.01 0.42 0.00 1.55 1.06 0.00 0.00 176.91 179.95 1rjv n VAL 34 N -4.75 0.32 -1.38 -2.22 3.14 0.23 -4.55 118.33 109.12 1rjv n VAL 34 Ca 0.01 0.08 -0.13 0.00 -2.96 0.00 0.00 64.34 61.34 1rjv n VAL 34 Cb 0.04 -0.73 -0.06 0.00 -1.06 0.00 0.00 33.84 32.04 1rjv n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rjv n GLY 35 N 0.52 1.33 0.40 7.55 0.00 -0.75 -4.62 105.19 109.62 1rjv n GLY 35 Ca 0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1rjv n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rjv h LEU 36 N 0.00 -1.22 -2.13 0.99 6.46 -1.14 0.17 115.31 118.43 1rjv h LEU 36 Ca -0.26 0.15 0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1rjv h LEU 36 Cb 0.98 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 1rjv h LEU 36 CO 0.39 -0.45 0.29 0.11 -0.62 0.00 0.00 178.44 178.16 1rjv h LYS 37 N -0.56 0.00 0.00 1.25 1.57 -1.90 -2.11 116.57 114.82 1rjv h LYS 37 Ca 0.05 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 1rjv h LYS 37 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1rjv h LYS 37 CO -0.31 0.00 -1.10 1.57 -0.57 0.00 0.00 179.45 179.05 1rjv h LYS 38 N 0.00 0.00 -7.44 3.15 2.10 -1.10 -3.47 116.57 109.81 1rjv h LYS 38 Ca 0.13 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.30 1rjv h LYS 38 Cb 0.71 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.15 1rjv h LYS 38 CO -0.00 0.17 0.33 0.15 -2.00 0.00 0.00 179.45 178.10 1rjv s LYS 39 N -3.12 1.82 0.76 0.07 3.01 0.21 -5.06 119.74 117.43 1rjv s LYS 39 Ca -0.01 0.52 -0.11 0.00 -1.01 0.00 0.00 55.97 55.36 1rjv s LYS 39 Cb 0.09 -1.90 0.05 0.00 -1.01 0.00 0.00 37.83 35.05 1rjv s LYS 39 CO 0.79 -1.77 1.08 0.45 0.51 0.00 0.00 175.35 176.41 1rjv s SER 40 N -3.97 4.75 0.22 2.83 0.15 -1.26 -4.81 113.70 111.60 1rjv s SER 40 Ca 0.62 1.69 -0.09 0.00 0.70 0.00 0.00 55.95 58.86 1rjv s SER 40 Cb -0.14 -2.45 0.18 0.00 -1.71 0.00 0.00 66.02 61.89 1rjv s SER 40 CO 0.54 -1.86 1.87 0.00 1.20 0.00 0.00 173.24 174.99 1rjv h ALA 41 N -1.01 1.04 -0.68 5.45 0.00 -1.97 0.47 119.26 122.56 1rjv h ALA 41 Ca -0.44 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 1rjv h ALA 41 Cb 1.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1rjv h ALA 41 CO 0.54 0.48 0.19 0.38 0.00 0.00 0.00 179.25 180.84 1rjv h ASP 42 N 1.11 1.00 0.05 0.00 2.03 -1.99 -2.25 116.42 116.37 1rjv h ASP 42 Ca 0.30 -0.19 -0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1rjv h ASP 42 Cb -0.08 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.16 1rjv h ASP 42 CO -0.06 0.94 -0.03 -0.78 -1.03 0.00 0.00 179.24 178.29 1rjv h ASP 43 N 1.02 -0.06 -0.97 4.15 1.82 -1.71 -2.18 116.42 118.48 1rjv h ASP 43 Ca 0.22 -0.19 0.25 0.00 -0.39 0.00 0.00 57.03 56.91 1rjv h ASP 43 Cb 0.32 0.02 -0.07 0.00 0.68 0.00 0.00 39.33 40.28 1rjv h ASP 43 CO -0.00 0.16 0.65 0.58 -1.61 0.00 0.00 179.24 179.02 1rjv h VAL 44 N -0.28 0.58 -0.27 2.25 2.07 -0.93 0.15 116.25 119.82 1rjv h VAL 44 Ca -0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1rjv h VAL 44 Cb 0.25 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1rjv h VAL 44 CO 0.01 0.06 0.10 0.50 0.02 0.00 0.00 177.57 178.26 1rjv h LYS 45 N 0.30 0.40 -0.69 1.57 3.64 -0.80 -2.31 116.57 118.68 1rjv h LYS 45 Ca 0.51 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1rjv h LYS 45 Cb 1.47 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 1rjv h LYS 45 CO -0.17 0.44 0.33 0.87 -2.27 0.00 0.00 179.45 178.65 1rjv h LYS 46 N 0.28 0.97 0.20 1.90 6.56 -0.30 -0.91 116.57 125.27 1rjv h LYS 46 Ca 0.09 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1rjv h LYS 46 Cb 0.19 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1rjv h LYS 46 CO -0.01 0.75 -0.30 0.28 -2.06 0.00 0.00 179.45 178.12 1rjv h VAL 47 N 0.97 0.00 -0.66 0.50 2.07 -0.84 -2.35 116.25 115.93 1rjv h VAL 47 Ca 0.24 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.90 1rjv h VAL 47 Cb 0.10 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.76 1rjv h VAL 47 CO -0.03 0.00 0.06 0.15 0.02 0.00 0.00 177.57 177.77 1rjv h PHE 48 N -0.52 0.07 -0.52 1.57 3.57 -1.45 -3.04 116.94 116.62 1rjv h PHE 48 Ca -0.02 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1rjv h PHE 48 Cb 0.47 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 1rjv h PHE 48 CO -0.26 -0.14 0.35 1.25 -2.23 0.00 0.00 178.31 177.28 1rjv h HIS 49 N 0.17 0.56 0.00 0.41 2.76 -0.73 -1.70 115.15 116.63 1rjv h HIS 49 Ca 0.36 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1rjv h HIS 49 Cb 0.59 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1rjv h HIS 49 CO -0.33 0.33 0.00 1.98 -1.30 0.00 0.00 177.93 178.61 1rjv h MET 50 N 0.58 0.00 0.00 5.26 1.85 -1.31 -2.84 114.93 118.48 1rjv h MET 50 Ca 0.21 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 59.14 1rjv h MET 50 Cb 0.12 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.13 1rjv h MET 50 CO -0.06 0.00 -0.99 -0.07 -0.40 0.00 0.00 176.91 175.40 1rjv h LEU 51 N 0.00 0.00 -5.71 3.39 3.38 -1.43 -3.41 115.31 111.52 1rjv h LEU 51 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1rjv h LEU 51 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rjv h LEU 51 CO 0.00 0.68 2.98 -0.67 0.09 0.00 0.00 178.44 181.52 1rjv n ASP 52 N -3.14 5.05 -0.66 -0.43 2.03 -1.07 -4.80 116.55 113.52 1rjv n ASP 52 Ca -0.04 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.68 1rjv n ASP 52 Cb 0.84 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1rjv n ASP 52 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rjv n LYS 53 N 5.17 0.52 0.00 -0.67 5.02 -1.26 -1.63 118.16 125.31 1rjv n LYS 53 Ca 0.56 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1rjv n LYS 53 Cb 0.28 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1rjv n LYS 53 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1rjv n ASP 54 N 0.40 0.01 -3.43 4.39 5.75 -1.26 -5.08 116.55 117.33 1rjv n ASP 54 Ca 0.00 -0.23 -0.20 0.00 -0.01 0.00 0.00 54.79 54.35 1rjv n ASP 54 Cb 0.17 0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.35 1rjv n ASP 54 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1rjv n LYS 55 N -0.05 -1.60 0.00 0.11 4.81 -0.64 -4.99 118.16 115.80 1rjv n LYS 55 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1rjv n LYS 55 Cb 0.05 -4.87 0.00 0.00 0.02 0.00 0.00 35.03 30.23 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1rjv n SER 56 N -2.68 0.71 0.00 3.14 3.41 -1.26 -5.07 113.62 111.86 1rjv n SER 56 Ca -0.08 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1rjv n SER 56 Cb 0.59 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.69 0.73 3.51 5.00 0.00 -1.26 -5.07 105.19 108.79 1rjv n GLY 57 Ca 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.06 -0.05 1.61 0.08 -1.26 -4.86 117.98 110.44 1rjv s PHE 58 Ca 0.00 1.97 -0.16 0.00 0.12 0.00 0.00 56.93 58.86 1rjv s PHE 58 Cb 0.00 0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 42.98 1rjv s PHE 58 CO 0.00 -0.55 0.44 0.42 -0.10 0.00 0.00 175.22 175.43 1rjv s ILE 59 N 2.30 5.09 0.16 0.64 1.01 -0.53 -4.90 121.20 124.96 1rjv s ILE 59 Ca -0.07 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.48 1rjv s ILE 59 Cb -0.10 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 1rjv s ILE 59 CO -0.17 0.47 0.02 -1.61 0.00 0.00 0.00 174.94 173.66 1rjv s GLU 60 N -0.35 1.06 0.41 2.79 2.02 -1.26 -1.69 118.70 121.68 1rjv s GLU 60 Ca 0.24 -1.51 0.20 0.00 0.02 0.00 0.00 54.97 53.93 1rjv s GLU 60 Cb -0.16 -0.09 1.16 0.00 0.10 0.00 0.00 34.13 35.14 1rjv s GLU 60 CO 0.12 -0.18 1.75 1.05 0.02 0.00 0.00 175.26 178.02 1rjv h GLU 61 N 2.74 0.33 -0.16 1.61 4.11 -1.95 -0.87 114.58 120.39 1rjv h GLU 61 Ca -0.36 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.10 1rjv h GLU 61 Cb 1.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 1rjv h GLU 61 CO 0.61 0.22 -0.18 0.22 0.07 0.00 0.00 179.01 179.96 1rjv h ASP 62 N 0.34 -0.55 -0.14 3.06 3.58 -2.02 -2.62 116.42 118.08 1rjv h ASP 62 Ca 0.62 0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.97 1rjv h ASP 62 Cb 1.66 0.26 0.01 0.00 1.72 0.00 0.00 39.33 42.98 1rjv h ASP 62 CO -0.30 -0.22 -0.71 -0.33 -2.88 0.00 0.00 179.24 174.80 1rjv h GLU 63 N -0.20 0.72 -0.89 0.28 5.08 -1.56 -3.35 114.58 114.65 1rjv h GLU 63 Ca 0.11 -0.59 0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1rjv h GLU 63 Cb 0.36 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1rjv h GLU 63 CO -0.28 1.20 0.59 1.25 -1.00 0.00 0.00 179.01 180.77 1rjv h LEU 64 N 0.42 0.44 -1.78 1.33 5.85 -0.95 0.16 115.31 120.78 1rjv h LEU 64 Ca -0.05 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1rjv h LEU 64 Cb 1.34 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1rjv h LEU 64 CO 0.15 0.19 0.45 1.23 -0.34 0.00 0.00 178.44 180.11 1rjv h GLY 65 N 0.45 0.37 -5.29 3.75 0.00 -1.61 -3.29 103.07 97.44 1rjv h GLY 65 Ca 0.46 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 47.48 1rjv h GLY 65 CO -0.18 0.03 -0.93 1.97 0.00 0.00 0.00 176.54 177.43 1rjv n PHE 66 N -4.43 0.50 -0.25 5.60 -1.74 0.30 -1.07 117.46 116.38 1rjv n PHE 66 Ca 0.12 -2.02 0.01 0.00 -0.56 0.00 0.00 57.45 55.00 1rjv n PHE 66 Cb 0.57 0.17 0.13 0.00 1.52 0.00 0.00 39.48 41.88 1rjv n PHE 66 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1rjv h ILE 67 N 5.27 0.87 -0.02 1.97 -0.00 -0.95 -1.77 117.51 122.88 1rjv h ILE 67 Ca -0.21 -0.22 0.01 0.00 -0.00 0.00 0.00 64.86 64.44 1rjv h ILE 67 Cb 1.28 0.19 -0.00 0.00 -0.00 0.00 0.00 36.82 38.29 1rjv h ILE 67 CO 0.10 0.11 0.09 -0.07 -0.00 0.00 0.00 178.15 178.38 1rjv h LEU 68 N 0.63 0.00 -0.06 2.19 3.38 -1.89 -2.16 115.31 117.40 1rjv h LEU 68 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1rjv h LEU 68 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1rjv h LEU 68 CO -0.25 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.45 1rjv n LYS 69 N -3.19 0.01 0.04 1.13 0.00 -0.67 -0.65 118.16 114.83 1rjv n LYS 69 Ca -0.02 0.33 -0.22 0.00 0.00 0.00 0.00 58.31 58.40 1rjv n LYS 69 Cb 0.16 -1.53 -0.14 0.00 0.00 0.00 0.00 35.03 33.53 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1rjv h GLY 70 N 1.79 0.36 0.73 3.14 0.00 -1.58 -3.38 103.07 104.13 1rjv h GLY 70 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 47.33 46.45 1rjv h GLY 70 CO 0.00 0.81 0.26 0.74 0.00 0.00 0.00 176.54 178.35 1rjv h PHE 71 N -0.18 0.48 0.00 5.60 0.04 -1.17 -3.47 116.94 118.24 1rjv h PHE 71 Ca -0.28 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1rjv h PHE 71 Cb 1.85 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.86 1rjv h PHE 71 CO 0.13 0.24 0.00 0.43 -0.60 0.00 0.00 178.31 178.51 1rjv n SER 72 N -4.88 0.00 -4.64 2.17 7.64 0.17 -4.84 113.62 109.24 1rjv n SER 72 Ca 0.04 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1rjv n SER 72 Cb 0.13 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.53 1rjv n SER 72 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1rjv s PRO 73 N -2.00 0.12 0.00 1.43 0.04 -1.26 -3.89 135.00 129.44 1rjv s PRO 73 Ca 0.00 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1rjv s PRO 73 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1rjv s PRO 73 CO 0.00 -2.95 0.00 -3.47 0.04 0.00 0.00 177.00 170.62 1rjv n ASP 74 N -4.33 -1.83 -4.56 6.66 2.03 -1.26 -4.97 116.55 108.28 1rjv n ASP 74 Ca 0.05 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.22 1rjv n ASP 74 Cb 0.57 -1.04 -0.11 0.00 -0.72 0.00 0.00 41.12 39.82 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rjv n ALA 75 N 1.00 0.22 -1.29 -1.67 0.00 -1.25 -4.97 120.51 112.55 1rjv n ALA 75 Ca 0.00 -2.05 -0.30 0.00 0.00 0.00 0.00 53.44 51.09 1rjv n ALA 75 Cb 0.07 -3.25 0.12 0.00 0.00 0.00 0.00 19.45 16.39 1rjv n ALA 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rjv s ARG 76 N 8.53 1.60 -0.36 0.00 0.52 -1.26 -4.68 118.95 123.30 1rjv s ARG 76 Ca 0.82 0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 56.59 1rjv s ARG 76 Cb -0.07 -1.85 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1rjv s ARG 76 CO 0.17 -2.01 1.82 0.34 0.02 0.00 0.00 175.30 175.64 1rjv s ASP 77 N -3.52 5.80 0.62 0.23 2.15 -1.26 -4.71 116.67 115.99 1rjv s ASP 77 Ca 0.62 1.22 -0.18 0.00 0.43 0.00 0.00 52.55 54.64 1rjv s ASP 77 Cb -0.17 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 1rjv s ASP 77 CO 0.56 -1.79 1.26 -0.76 -0.17 0.00 0.00 175.17 174.26 1rjv s LEU 78 N 7.20 3.61 0.56 -1.34 1.43 -0.23 -4.98 118.68 124.94 1rjv s LEU 78 Ca 0.79 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 56.20 1rjv s LEU 78 Cb -0.22 -4.61 -0.04 0.00 0.03 0.00 0.00 46.19 41.35 1rjv s LEU 78 CO 0.32 -1.83 1.34 -0.24 0.23 0.00 0.00 176.35 176.17 1rjv n SER 79 N -1.77 2.56 0.26 2.29 2.88 0.21 -4.80 113.62 115.24 1rjv n SER 79 Ca 0.15 0.96 0.16 0.00 -1.33 0.00 0.00 58.87 58.80 1rjv n SER 79 Cb 0.49 -1.57 0.84 0.00 -0.75 0.00 0.00 64.21 63.22 1rjv n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjv h ALA 80 N 1.29 1.09 0.08 -1.46 0.00 -1.93 -0.45 119.26 117.89 1rjv h ALA 80 Ca -0.51 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 1rjv h ALA 80 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1rjv h ALA 80 CO 0.56 -0.09 -1.65 0.87 0.00 0.00 0.00 179.25 178.94 1rjv h LYS 81 N 0.00 0.18 0.40 0.00 1.79 -1.92 -3.05 116.57 113.98 1rjv h LYS 81 Ca 0.00 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 1rjv h LYS 81 Cb 0.21 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1rjv h LYS 81 CO 0.00 0.97 -0.44 1.49 -1.08 0.00 0.00 179.45 180.40 1rjv h GLU 82 N 0.05 -0.82 -0.77 3.15 4.22 -1.35 -1.96 114.58 117.10 1rjv h GLU 82 Ca -0.28 0.06 0.06 0.00 0.08 0.00 0.00 59.36 59.27 1rjv h GLU 82 Cb 2.01 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 31.39 1rjv h GLU 82 CO 0.12 -0.54 0.47 1.79 -2.18 0.00 0.00 179.01 178.67 1rjv h THR 83 N -0.85 1.02 0.18 0.32 1.35 -1.45 0.21 112.91 113.69 1rjv h THR 83 Ca -0.05 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1rjv h THR 83 Cb 0.74 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1rjv h THR 83 CO -0.07 0.16 -0.16 0.50 -0.25 0.00 0.00 175.52 175.69 1rjv h LYS 84 N 0.86 -0.34 -0.38 4.72 3.64 -1.45 0.52 116.57 124.13 1rjv h LYS 84 Ca 0.34 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1rjv h LYS 84 Cb 0.17 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1rjv h LYS 84 CO -0.17 -0.23 -0.05 0.52 -2.27 0.00 0.00 179.45 177.25 1rjv h MET 85 N -0.36 0.70 -0.36 1.90 2.86 -1.02 -3.10 114.93 115.55 1rjv h MET 85 Ca -0.00 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1rjv h MET 85 Cb 0.33 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1rjv h MET 85 CO -0.03 0.83 -0.04 1.25 1.06 0.00 0.00 176.91 179.98 1rjv h LEU 86 N 0.51 -0.23 0.19 1.22 5.85 -0.44 0.20 115.31 122.61 1rjv h LEU 86 Ca 0.10 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1rjv h LEU 86 Cb 0.55 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1rjv h LEU 86 CO 0.03 -0.08 -0.26 -0.03 -0.34 0.00 0.00 178.44 177.76 1rjv h MET 87 N 0.05 -0.50 -0.69 1.25 4.05 -0.93 0.15 114.93 118.32 1rjv h MET 87 Ca 0.18 0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.56 1rjv h MET 87 Cb 0.26 0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 1rjv h MET 87 CO -0.33 -0.33 0.16 0.00 0.23 0.00 0.00 176.91 176.64 1rjv h ALA 88 N 0.16 0.98 0.21 0.39 0.00 -1.41 -2.69 119.26 116.90 1rjv h ALA 88 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1rjv h ALA 88 Cb 0.51 -0.26 0.03 0.00 0.00 0.00 0.00 17.79 18.07 1rjv h ALA 88 CO -0.10 0.66 -1.29 0.00 0.00 0.00 0.00 179.25 178.51 1rjv h ALA 89 N 1.13 -0.13 -0.49 0.00 0.00 -0.48 -3.36 119.26 115.94 1rjv h ALA 89 Ca 0.22 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1rjv h ALA 89 Cb 0.37 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1rjv h ALA 89 CO 0.00 0.61 -0.08 0.78 0.00 0.00 0.00 179.25 180.57 1rjv h GLY 90 N 0.05 0.99 -6.69 0.00 0.00 -0.76 -3.33 103.07 93.32 1rjv h GLY 90 Ca -0.22 -0.79 -0.59 0.00 0.00 0.00 0.00 47.33 45.73 1rjv h GLY 90 CO 0.24 0.72 1.99 1.34 0.00 0.00 0.00 176.54 180.83 1rjv n ASP 91 N -4.25 2.44 0.23 0.19 2.03 -1.02 -4.36 116.55 111.81 1rjv n ASP 91 Ca 0.00 -2.66 0.16 0.00 0.52 0.00 0.00 54.79 52.81 1rjv n ASP 91 Cb 0.37 -1.16 0.77 0.00 -0.72 0.00 0.00 41.12 40.39 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 8.44 0.00 0.00 -0.67 1.79 -1.82 -2.57 116.57 121.73 1rjv h LYS 92 Ca 0.37 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.65 1rjv h LYS 92 Cb 0.72 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 1rjv h LYS 92 CO 1.85 0.00 -0.89 -0.44 -1.08 0.00 0.00 179.45 178.88 1rjv h ASP 93 N 0.00 0.00 0.00 0.86 3.32 -1.91 -3.49 116.42 115.20 1rjv h ASP 93 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjv h ASP 93 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1rjv h ASP 93 CO 0.00 0.89 0.00 0.61 -1.72 0.00 0.00 179.24 179.02 1rjv n GLY 94 N 1.16 0.70 0.10 2.75 0.00 -0.97 -5.00 105.19 103.93 1rjv n GLY 94 Ca -0.00 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1rjv n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rjv n ASP 95 N 1.10 0.81 -0.20 1.61 8.00 -1.26 -4.96 116.55 121.66 1rjv n ASP 95 Ca 0.00 0.47 -0.03 0.00 0.71 0.00 0.00 54.79 55.95 1rjv n ASP 95 Cb 0.02 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.53 1rjv n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjv n GLY 96 N 1.31 0.49 3.28 0.44 0.00 -1.26 -5.04 105.19 104.41 1rjv n GLY 96 Ca 0.05 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.45 1.43 -0.14 1.61 3.01 -1.26 -4.84 119.74 118.09 1rjv s LYS 97 Ca 0.00 -1.03 -0.27 0.00 -1.01 0.00 0.00 55.97 53.66 1rjv s LYS 97 Cb 0.00 -1.60 -0.01 0.00 -1.01 0.00 0.00 37.83 35.21 1rjv s LYS 97 CO 0.00 0.40 0.92 0.42 0.51 0.00 0.00 175.35 177.60 1rjv s ILE 98 N -0.87 4.83 0.26 2.17 1.01 -0.68 -4.54 121.20 123.39 1rjv s ILE 98 Ca 0.08 1.83 0.09 0.00 0.00 0.00 0.00 60.65 62.66 1rjv s ILE 98 Cb -0.09 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1rjv s ILE 98 CO 0.02 0.02 0.04 -0.83 0.00 0.00 0.00 174.94 174.19 1rjv s GLY 99 N 1.11 1.60 0.18 6.18 0.00 -1.26 -1.46 107.32 113.68 1rjv s GLY 99 Ca 0.43 -1.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.37 1rjv s GLY 99 CO 0.15 -1.64 1.60 -0.24 0.00 0.00 0.00 173.10 172.97 1rjv h VAL 100 N 1.83 0.25 -0.64 1.40 3.04 -1.93 -1.10 116.25 119.10 1rjv h VAL 100 Ca -0.45 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.16 1rjv h VAL 100 Cb 1.24 0.25 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 1rjv h VAL 100 CO 0.60 0.00 0.11 -0.78 -1.01 0.00 0.00 177.57 176.49 1rjv h ASP 101 N -0.16 1.00 0.91 3.17 3.58 -1.98 0.82 116.42 123.76 1rjv h ASP 101 Ca 0.22 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 1rjv h ASP 101 Cb 0.52 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.32 1rjv h ASP 101 CO -0.61 0.99 -0.44 -0.33 -2.88 0.00 0.00 179.24 175.98 1rjv h GLU 102 N 0.98 -1.18 -0.92 0.28 3.07 -1.88 -3.17 114.58 111.76 1rjv h GLU 102 Ca 0.20 0.08 0.08 0.00 -0.50 0.00 0.00 59.36 59.22 1rjv h GLU 102 Cb 0.42 0.27 -0.07 0.00 -0.84 0.00 0.00 28.75 28.53 1rjv h GLU 102 CO 0.01 -0.78 0.60 0.35 -1.40 0.00 0.00 179.01 177.78 1rjv h PHE 103 N -1.32 1.04 -0.97 4.33 3.57 -0.44 0.32 116.94 123.47 1rjv h PHE 103 Ca -0.12 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.47 1rjv h PHE 103 Cb 0.94 -0.34 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1rjv h PHE 103 CO -0.00 0.50 0.63 1.03 -2.23 0.00 0.00 178.31 178.24 1rjv h SER 104 N 0.98 0.99 0.00 0.41 0.87 -0.97 -3.32 113.55 112.51 1rjv h SER 104 Ca 0.42 0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 60.70 1rjv h SER 104 Cb 0.32 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 1rjv h SER 104 CO -0.18 0.63 -2.09 0.35 -0.53 0.00 0.00 176.83 175.01 1rjv n THR 105 N -4.50 1.09 -0.34 2.23 -2.24 0.01 -4.16 114.28 106.37 1rjv n THR 105 Ca 0.15 -0.67 0.05 0.00 -2.27 0.00 0.00 64.05 61.31 1rjv n THR 105 Cb 0.20 -0.58 0.12 0.00 -2.10 0.00 0.00 70.33 67.97 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 -0.92 -0.35 3.22 7.12 -0.59 0.11 115.31 123.90 1rjv h LEU 106 Ca -0.43 0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.87 1rjv h LEU 106 Cb 1.98 0.60 0.00 0.00 -0.53 0.00 0.00 40.66 42.71 1rjv h LEU 106 CO 0.02 -0.31 0.00 -0.37 -0.13 0.00 0.00 178.44 177.65 1rjv h VAL 107 N -0.00 0.00 0.15 1.05 -1.51 -1.74 0.33 116.25 114.53 1rjv h VAL 107 Ca 0.45 -0.68 -0.29 0.00 -1.23 0.00 0.00 66.70 64.94 1rjv h VAL 107 Cb 0.69 1.65 0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1rjv h VAL 107 CO -0.98 0.00 -1.44 0.00 -1.23 0.00 0.00 177.57 173.92 1rjv h ALA 108 N 2.17 0.10 -0.94 5.19 0.00 -1.20 -3.03 119.26 121.56 1rjv h ALA 108 Ca 0.00 -1.03 0.10 0.00 0.00 0.00 0.00 54.91 53.98 1rjv h ALA 108 Cb 0.77 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1rjv h ALA 108 CO 0.00 0.81 0.57 0.93 0.00 0.00 0.00 179.25 181.57 1rjv h GLU 109 N -0.15 0.92 0.00 0.00 4.39 -0.93 -3.52 114.58 115.29 1rjv h GLU 109 Ca -0.29 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1rjv h GLU 109 Cb 1.88 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 1rjv h GLU 109 CO 0.13 0.61 0.00 -1.13 -1.16 0.00 0.00 179.01 177.45