#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 -0.82 -4.58 7.83 2.88 -1.26 -4.49 113.62 113.17 1rjv n SER 2 Ca 0.00 1.03 -0.34 0.00 -1.33 0.00 0.00 58.87 58.22 1rjv n SER 2 Cb 0.00 -4.25 -0.04 0.00 -0.75 0.00 0.00 64.21 59.17 1rjv n SER 2 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1rjv s MET 3 N -0.77 3.11 0.00 -1.46 0.00 -1.26 -2.76 119.30 116.16 1rjv s MET 3 Ca -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 55.69 53.95 1rjv s MET 3 Cb 0.01 -5.37 0.00 0.00 0.00 0.00 0.00 34.83 29.48 1rjv s MET 3 CO 0.61 -3.29 0.00 2.41 0.00 0.00 0.00 175.02 174.75 1rjv n THR 4 N 7.23 0.00 -0.00 10.11 -1.04 -1.26 -4.79 114.28 124.53 1rjv n THR 4 Ca 0.47 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.26 1rjv n THR 4 Cb 0.46 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.84 1rjv n THR 4 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1rjv h ASP 5 N 0.00 0.38 0.30 8.00 3.58 -1.82 -2.64 116.42 124.22 1rjv h ASP 5 Ca 0.00 -0.87 -0.01 0.00 0.42 0.00 0.00 57.03 56.57 1rjv h ASP 5 Cb 0.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1rjv h ASP 5 CO 0.00 1.75 -0.15 -0.07 -2.88 0.00 0.00 179.24 177.89 1rjv h LEU 6 N -0.16 -0.34 0.00 2.28 -0.00 -1.78 -3.43 115.31 111.87 1rjv h LEU 6 Ca -0.38 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1rjv h LEU 6 Cb 1.88 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 1rjv h LEU 6 CO 0.05 -0.16 0.00 0.18 -0.00 0.00 0.00 178.44 178.51 1rjv n LEU 7 N -3.60 0.00 -3.56 1.67 4.77 -1.26 -5.05 117.00 109.97 1rjv n LEU 7 Ca -0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1rjv n LEU 7 Cb 0.16 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1rjv n LEU 7 CO 0.12 0.00 0.39 0.20 -1.33 0.00 0.00 177.39 176.78 1rjv s ASN 8 N -1.54 -0.93 0.43 -1.43 -0.87 -1.24 -4.91 114.94 104.44 1rjv s ASN 8 Ca 0.00 1.28 0.18 0.00 -1.57 0.00 0.00 52.86 52.75 1rjv s ASN 8 Cb 0.00 2.05 1.10 0.00 -0.02 0.00 0.00 41.25 44.39 1rjv s ASN 8 CO 0.00 -0.18 1.87 0.00 -2.57 0.00 0.00 177.10 176.22 1rjv h ALA 9 N 7.80 2.23 0.86 0.60 0.00 -1.78 -0.10 119.26 128.87 1rjv h ALA 9 Ca -0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1rjv h ALA 9 Cb 1.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1rjv h ALA 9 CO 0.09 -0.50 -0.42 0.93 0.00 0.00 0.00 179.25 179.36 1rjv h GLU 10 N 0.38 -1.12 -0.83 0.00 5.08 -1.97 -1.54 114.58 114.58 1rjv h GLU 10 Ca 0.45 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.94 1rjv h GLU 10 Cb 1.15 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 1rjv h GLU 10 CO -0.16 -0.74 0.51 -0.44 -1.00 0.00 0.00 179.01 177.18 1rjv h ASP 11 N -1.18 0.81 -0.94 1.42 5.19 -1.71 -1.14 116.42 118.87 1rjv h ASP 11 Ca -0.12 0.02 0.16 0.00 -0.62 0.00 0.00 57.03 56.47 1rjv h ASP 11 Cb 0.89 -0.15 -0.08 0.00 0.18 0.00 0.00 39.33 40.17 1rjv h ASP 11 CO 0.19 0.52 0.60 0.40 -3.12 0.00 0.00 179.24 177.84 1rjv h ILE 12 N 0.95 0.79 -0.54 0.35 5.03 -0.96 -0.16 117.51 122.98 1rjv h ILE 12 Ca 0.36 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 1rjv h ILE 12 Cb 0.15 0.01 -0.03 0.00 -3.03 0.00 0.00 36.82 33.92 1rjv h ILE 12 CO -0.17 0.13 0.32 0.07 -0.68 0.00 0.00 178.15 177.82 1rjv h LYS 13 N 0.73 0.74 -0.42 2.37 2.10 -0.13 0.67 116.57 122.61 1rjv h LYS 13 Ca 0.49 -0.07 -0.11 0.00 -2.00 0.00 0.00 60.65 58.96 1rjv h LYS 13 Cb 0.79 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 1rjv h LYS 13 CO -0.26 0.54 -0.17 0.87 -2.00 0.00 0.00 179.45 178.44 1rjv h LYS 14 N 0.72 0.81 0.66 0.07 1.57 -1.39 -2.41 116.57 116.61 1rjv h LYS 14 Ca 0.19 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1rjv h LYS 14 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1rjv h LYS 14 CO -0.03 0.92 -0.41 0.00 -0.57 0.00 0.00 179.45 179.36 1rjv h ALA 15 N 1.09 -1.04 -0.74 3.86 0.00 -0.44 -0.43 119.26 121.56 1rjv h ALA 15 Ca 0.11 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1rjv h ALA 15 Cb 0.68 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1rjv h ALA 15 CO 0.05 -1.10 0.49 0.28 0.00 0.00 0.00 179.25 178.97 1rjv h VAL 16 N -1.01 1.02 0.00 0.00 2.07 -0.95 0.00 116.25 117.38 1rjv h VAL 16 Ca -0.08 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1rjv h VAL 16 Cb 0.82 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1rjv h VAL 16 CO 0.08 0.14 -0.02 1.23 0.02 0.00 0.00 177.57 179.02 1rjv h GLY 17 N 0.77 0.00 0.19 2.17 0.00 -1.09 -2.24 103.07 102.87 1rjv h GLY 17 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1rjv h GLY 17 CO -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.38 1rjv h ALA 18 N 1.98 -0.14 0.00 3.60 0.00 0.74 -3.24 119.26 122.19 1rjv h ALA 18 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1rjv h ALA 18 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rjv h ALA 18 CO 0.00 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.27 1rjv n PHE 19 N -4.84 0.00 -0.56 0.00 3.72 -1.15 -4.48 117.46 110.15 1rjv n PHE 19 Ca -0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1rjv n PHE 19 Cb 0.24 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.95 3.11 -1.81 4.37 2.88 -0.84 -4.74 113.62 115.65 1rjv n SER 20 Ca 0.15 -2.07 -0.06 0.00 -1.33 0.00 0.00 58.87 55.56 1rjv n SER 20 Cb 0.07 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 62.70 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 3.03 0.01 -3.20 -1.46 0.00 -1.26 -5.04 120.51 112.60 1rjv n ALA 21 Ca 0.26 -0.68 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 1rjv n ALA 21 Cb 0.41 0.55 -0.14 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.56 3.39 -1.74 0.00 -4.23 -1.26 -4.80 115.64 104.44 1rjv s THR 22 Ca 0.13 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 1rjv s THR 22 Cb 0.00 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1rjv s THR 22 CO 0.09 0.48 0.00 0.47 -0.54 0.00 0.00 174.62 175.12 1rjv n ASP 23 N 3.98 -4.84 -0.52 3.99 9.92 -1.26 -4.81 116.55 123.00 1rjv n ASP 23 Ca -0.18 0.41 0.05 0.00 -0.53 0.00 0.00 54.79 54.53 1rjv n ASP 23 Cb 0.52 -4.18 0.13 0.00 -0.64 0.00 0.00 41.12 36.95 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1rjv n SER 24 N -1.01 2.76 -4.30 -2.24 7.64 -1.26 -4.81 113.62 110.40 1rjv n SER 24 Ca -0.16 -2.01 -0.12 0.00 1.01 0.00 0.00 58.87 57.59 1rjv n SER 24 Cb 0.58 -0.19 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 1rjv n SER 24 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1rjv n PHE 25 N 0.32 0.10 -0.68 1.43 7.35 -1.26 -4.84 117.46 119.88 1rjv n PHE 25 Ca 0.10 -0.01 -0.05 0.00 -0.76 0.00 0.00 57.45 56.72 1rjv n PHE 25 Cb 0.40 -0.70 -0.08 0.00 0.35 0.00 0.00 39.48 39.46 1rjv n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1rjv n ASP 26 N 6.37 4.81 -0.32 -2.13 5.75 -1.26 -4.76 116.55 125.01 1rjv n ASP 26 Ca 0.38 -2.33 0.16 0.00 -0.01 0.00 0.00 54.79 52.99 1rjv n ASP 26 Cb 0.31 -1.16 0.33 0.00 -1.03 0.00 0.00 41.12 39.58 1rjv n ASP 26 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 1rjv h HIS 27 N 2.27 0.22 -0.28 2.11 2.07 -1.97 0.32 115.15 119.88 1rjv h HIS 27 Ca 0.09 0.06 0.06 0.00 -2.85 0.00 0.00 60.37 57.72 1rjv h HIS 27 Cb 1.14 0.06 -0.08 0.00 2.57 0.00 0.00 27.41 31.10 1rjv h HIS 27 CO 0.98 -0.35 -0.39 0.87 -3.07 0.00 0.00 177.93 175.96 1rjv h LYS 28 N 0.08 -0.36 -0.24 5.12 6.56 -1.86 0.25 116.57 126.12 1rjv h LYS 28 Ca 0.61 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 60.16 1rjv h LYS 28 Cb 1.32 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 33.05 1rjv h LYS 28 CO -0.80 -0.24 -0.09 0.87 -2.06 0.00 0.00 179.45 177.13 1rjv h LYS 29 N -0.37 0.49 -0.21 3.15 1.79 -0.81 -2.51 116.57 118.10 1rjv h LYS 29 Ca 0.12 -0.20 0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1rjv h LYS 29 Cb 0.59 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.14 1rjv h LYS 29 CO -0.48 0.74 -0.41 0.35 -1.08 0.00 0.00 179.45 178.56 1rjv h PHE 30 N 0.22 -1.18 -0.13 -1.35 3.04 -0.93 0.19 116.94 116.81 1rjv h PHE 30 Ca 0.06 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1rjv h PHE 30 Cb 0.58 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 1rjv h PHE 30 CO 0.06 -0.46 0.01 0.74 -2.02 0.00 0.00 178.31 176.64 1rjv h PHE 31 N -0.44 0.17 0.18 0.41 -1.00 -0.93 0.55 116.94 115.88 1rjv h PHE 31 Ca 0.09 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1rjv h PHE 31 Cb 0.61 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1rjv h PHE 31 CO -0.51 0.18 -0.09 1.96 -1.61 0.00 0.00 178.31 178.24 1rjv h GLN 32 N 0.17 -0.23 -0.74 1.51 4.20 -0.97 0.02 115.11 119.07 1rjv h GLN 32 Ca 0.04 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1rjv h GLN 32 Cb 0.11 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1rjv h GLN 32 CO 0.00 0.18 0.49 0.52 -0.67 0.00 0.00 178.83 179.35 1rjv h MET 33 N -0.80 0.94 -0.00 1.46 2.86 -0.15 -0.86 114.93 118.39 1rjv h MET 33 Ca -0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1rjv h MET 33 Cb 0.52 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1rjv h MET 33 CO 0.04 0.63 -0.02 1.55 1.06 0.00 0.00 176.91 180.16 1rjv n VAL 34 N -4.43 0.00 -1.31 -2.22 3.14 0.14 -4.58 118.33 109.07 1rjv n VAL 34 Ca 0.08 -0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.36 1rjv n VAL 34 Cb 0.06 -0.46 -0.04 0.00 -1.06 0.00 0.00 33.84 32.34 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 1.41 1.15 0.45 7.55 0.00 -0.33 -4.61 105.19 110.82 1rjv n GLY 35 Ca 0.10 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.97 -1.60 0.99 3.38 -1.22 -0.85 115.31 115.03 1rjv h LEU 36 Ca -0.21 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1rjv h LEU 36 Cb 0.68 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rjv h LEU 36 CO 0.31 -0.69 0.49 0.11 0.09 0.00 0.00 178.44 178.75 1rjv h LYS 37 N -1.16 0.00 0.00 1.13 1.57 -1.89 0.27 116.57 116.48 1rjv h LYS 37 Ca -0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1rjv h LYS 37 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1rjv h LYS 37 CO 0.19 0.00 -1.18 -0.22 -0.57 0.00 0.00 179.45 177.67 1rjv h LYS 38 N 0.00 0.00 -7.36 3.15 3.64 -1.58 -3.47 116.57 110.95 1rjv h LYS 38 Ca 0.02 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.90 1rjv h LYS 38 Cb 0.99 0.00 0.11 0.00 -0.41 0.00 0.00 32.23 32.92 1rjv h LYS 38 CO -0.00 0.34 0.35 0.21 -2.27 0.00 0.00 179.45 178.08 1rjv s LYS 39 N -2.94 2.47 0.78 1.90 2.47 0.08 -5.07 119.74 119.43 1rjv s LYS 39 Ca -0.01 0.87 -0.12 0.00 -1.56 0.00 0.00 55.97 55.15 1rjv s LYS 39 Cb 0.08 -1.94 0.06 0.00 -1.46 0.00 0.00 37.83 34.57 1rjv s LYS 39 CO 0.80 -1.41 1.12 0.45 0.16 0.00 0.00 175.35 176.46 1rjv s SER 40 N -3.76 4.73 0.17 1.43 0.15 -1.26 -4.81 113.70 110.34 1rjv s SER 40 Ca 0.60 1.12 -0.15 0.00 0.70 0.00 0.00 55.95 58.21 1rjv s SER 40 Cb -0.15 -1.82 0.12 0.00 -1.71 0.00 0.00 66.02 62.47 1rjv s SER 40 CO 0.55 -1.80 1.71 0.00 1.20 0.00 0.00 173.24 174.90 1rjv h ALA 41 N -0.97 0.42 -0.68 5.45 0.00 -1.97 0.95 119.26 122.45 1rjv h ALA 41 Ca -0.46 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.63 1rjv h ALA 41 Cb 1.28 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1rjv h ALA 41 CO 0.62 -0.36 0.45 -0.44 0.00 0.00 0.00 179.25 179.53 1rjv h ASP 42 N 0.16 0.53 0.04 0.00 5.19 -1.99 0.51 116.42 120.86 1rjv h ASP 42 Ca 0.20 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1rjv h ASP 42 Cb 0.27 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1rjv h ASP 42 CO -0.30 0.33 -0.02 -0.78 -3.12 0.00 0.00 179.24 175.35 1rjv h ASP 43 N 0.60 -0.04 -0.85 6.45 1.82 -1.65 -2.97 116.42 119.77 1rjv h ASP 43 Ca 0.31 -0.59 0.18 0.00 -0.39 0.00 0.00 57.03 56.54 1rjv h ASP 43 Cb 0.43 0.01 -0.11 0.00 0.68 0.00 0.00 39.33 40.34 1rjv h ASP 43 CO -0.10 0.60 0.38 0.58 -1.61 0.00 0.00 179.24 179.09 1rjv h VAL 44 N -0.73 0.57 -0.27 2.25 2.07 -0.45 0.38 116.25 120.08 1rjv h VAL 44 Ca -0.01 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1rjv h VAL 44 Cb 0.63 0.07 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 1rjv h VAL 44 CO 0.01 0.08 -0.28 0.50 0.02 0.00 0.00 177.57 177.90 1rjv h LYS 45 N 0.46 -0.26 0.00 1.57 1.63 -0.98 -2.06 116.57 116.93 1rjv h LYS 45 Ca 0.50 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1rjv h LYS 45 Cb 0.86 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1rjv h LYS 45 CO -0.46 -0.18 0.00 0.87 -3.45 0.00 0.00 179.45 176.23 1rjv h LYS 46 N -0.27 0.00 0.35 1.90 1.57 -0.48 -1.95 116.57 117.68 1rjv h LYS 46 Ca 0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1rjv h LYS 46 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1rjv h LYS 46 CO -0.43 0.00 -0.17 0.28 -0.57 0.00 0.00 179.45 178.56 1rjv h VAL 47 N 0.00 0.00 -0.98 0.50 2.07 -0.17 -2.69 116.25 114.99 1rjv h VAL 47 Ca 0.00 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1rjv h VAL 47 Cb 0.65 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1rjv h VAL 47 CO 0.00 0.00 0.63 0.15 0.02 0.00 0.00 177.57 178.37 1rjv h PHE 48 N -0.68 1.14 0.00 1.57 3.57 -1.29 0.12 116.94 121.37 1rjv h PHE 48 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1rjv h PHE 48 Cb 0.36 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1rjv h PHE 48 CO 0.06 0.57 0.00 0.72 -2.23 0.00 0.00 178.31 177.43 1rjv n HIS 49 N -4.52 0.06 -0.06 0.41 8.25 -0.74 -1.37 115.22 117.25 1rjv n HIS 49 Ca 0.16 0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.53 1rjv n HIS 49 Cb 0.23 -0.55 -0.15 0.00 1.12 0.00 0.00 29.99 30.64 1rjv n HIS 49 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1rjv n MET 50 N -1.56 0.67 0.06 -0.41 0.00 0.38 -4.41 117.12 111.85 1rjv n MET 50 Ca 0.00 0.16 -0.10 0.00 -0.00 0.00 0.00 57.70 57.76 1rjv n MET 50 Cb 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.60 1rjv n MET 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1rjv h LEU 51 N 0.01 0.44 -8.19 -0.89 4.07 -1.17 -3.36 115.31 106.22 1rjv h LEU 51 Ca -0.44 -0.32 -0.28 0.00 0.08 0.00 0.00 57.88 56.92 1rjv h LEU 51 Cb 2.10 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 43.66 1rjv h LEU 51 CO 0.04 1.09 0.75 -0.62 -1.08 0.00 0.00 178.44 178.62 1rjv s ASP 52 N -6.99 5.05 -0.02 -0.43 -1.08 -0.47 -4.78 116.67 107.95 1rjv s ASP 52 Ca -0.05 -0.82 0.00 0.00 -0.52 0.00 0.00 52.55 51.16 1rjv s ASP 52 Cb 0.10 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1rjv s ASP 52 CO 0.84 -2.88 1.54 0.29 0.52 0.00 0.00 175.17 175.49 1rjv n LYS 53 N 8.75 1.06 0.00 4.34 4.76 -1.26 -2.47 118.16 133.34 1rjv n LYS 53 Ca 0.41 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1rjv n LYS 53 Cb 0.47 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 1rjv n LYS 53 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1rjv n ASP 54 N 0.94 0.00 0.00 4.39 -0.08 -1.26 -5.09 116.55 115.45 1rjv n ASP 54 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1rjv n ASP 54 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1rjv n ASP 54 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1rjv n LYS 55 N -1.34 0.00 0.24 -0.67 3.00 -1.03 -5.01 118.16 113.34 1rjv n LYS 55 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 1rjv n LYS 55 Cb 0.00 0.00 0.87 0.00 0.00 0.00 0.00 35.03 35.90 1rjv n LYS 55 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1rjv h SER 56 N 0.00 0.00 0.00 3.14 4.64 -1.99 -3.45 113.55 115.90 1rjv h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rjv h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rjv h SER 56 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1rjv n GLY 57 N -1.33 1.12 3.27 -0.77 0.00 -1.26 -5.10 105.19 101.12 1rjv n GLY 57 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.48 -0.20 1.61 0.08 -1.26 -4.77 117.98 110.95 1rjv s PHE 58 Ca 0.00 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.09 1rjv s PHE 58 Cb 0.00 0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.60 1rjv s PHE 58 CO 0.00 -0.26 0.07 0.42 -0.10 0.00 0.00 175.22 175.35 1rjv s ILE 59 N 0.68 4.64 0.32 0.64 1.01 -0.97 -4.91 121.20 122.62 1rjv s ILE 59 Ca -0.04 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1rjv s ILE 59 Cb -0.05 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1rjv s ILE 59 CO -0.05 0.42 -0.02 -1.61 0.00 0.00 0.00 174.94 173.68 1rjv s GLU 60 N 0.79 2.08 0.51 2.79 8.01 -1.26 -2.68 118.70 128.95 1rjv s GLU 60 Ca 0.04 -1.67 0.22 0.00 0.01 0.00 0.00 54.97 53.57 1rjv s GLU 60 Cb -0.13 -1.97 1.33 0.00 -4.31 0.00 0.00 34.13 29.04 1rjv s GLU 60 CO 0.02 0.21 2.01 1.05 0.01 0.00 0.00 175.26 178.56 1rjv h GLU 61 N 1.88 0.06 -0.52 1.61 -0.00 -1.95 -0.08 114.58 115.58 1rjv h GLU 61 Ca -0.43 -0.00 0.10 0.00 -0.00 0.00 0.00 59.36 59.03 1rjv h GLU 61 Cb 1.25 -0.01 -0.10 0.00 -0.00 0.00 0.00 28.75 29.88 1rjv h GLU 61 CO 0.64 0.04 -0.21 -0.44 -0.00 0.00 0.00 179.01 179.04 1rjv h ASP 62 N 0.06 -0.74 0.45 3.06 3.32 -2.01 -2.97 116.42 117.59 1rjv h ASP 62 Ca 0.23 0.18 -0.30 0.00 0.02 0.00 0.00 57.03 57.16 1rjv h ASP 62 Cb 0.83 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1rjv h ASP 62 CO -0.02 -0.24 -1.63 -0.33 -1.72 0.00 0.00 179.24 175.31 1rjv h GLU 63 N -0.09 0.16 -0.04 3.56 5.08 -1.59 -3.38 114.58 118.27 1rjv h GLU 63 Ca 0.24 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rjv h GLU 63 Cb 0.47 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1rjv h GLU 63 CO -0.58 0.93 0.11 1.25 -1.00 0.00 0.00 179.01 179.72 1rjv h LEU 64 N 0.04 0.00 -2.11 1.33 6.46 -0.92 -0.05 115.31 120.07 1rjv h LEU 64 Ca -0.27 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1rjv h LEU 64 Cb 2.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.93 1rjv h LEU 64 CO 0.12 0.00 0.00 1.23 -0.62 0.00 0.00 178.44 179.17 1rjv h GLY 65 N 0.00 0.00 -5.08 3.75 0.00 -1.71 -3.34 103.07 96.69 1rjv h GLY 65 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 1rjv h GLY 65 CO -0.00 0.00 -0.56 1.97 0.00 0.00 0.00 176.54 177.95 1rjv n PHE 66 N -2.71 -1.19 -0.34 5.60 -1.74 -0.04 -0.26 117.46 116.78 1rjv n PHE 66 Ca -0.02 -1.98 0.25 0.00 -0.56 0.00 0.00 57.45 55.15 1rjv n PHE 66 Cb 0.09 1.02 0.54 0.00 1.52 0.00 0.00 39.48 42.65 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 3.62 0.45 -0.14 1.97 -0.00 -1.67 -0.27 117.51 121.48 1rjv h ILE 67 Ca -0.30 -0.11 0.04 0.00 -0.00 0.00 0.00 64.86 64.48 1rjv h ILE 67 Cb 1.28 0.10 -0.01 0.00 -0.00 0.00 0.00 36.82 38.19 1rjv h ILE 67 CO -0.01 0.06 0.19 -0.07 -0.00 0.00 0.00 178.15 178.32 1rjv h LEU 68 N 0.33 0.00 0.00 0.16 3.38 -1.88 -0.43 115.31 116.87 1rjv h LEU 68 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1rjv h LEU 68 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1rjv h LEU 68 CO -0.31 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.51 1rjv n LYS 69 N -3.63 0.30 0.02 1.13 5.02 -0.11 -0.69 118.16 120.21 1rjv n LYS 69 Ca 0.01 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 1rjv n LYS 69 Cb 0.30 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 1rjv n LYS 69 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1rjv h GLY 70 N 2.38 0.34 1.10 0.72 0.00 -1.22 -3.41 103.07 102.99 1rjv h GLY 70 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.39 1rjv h GLY 70 CO 0.00 0.77 0.17 0.74 0.00 0.00 0.00 176.54 178.21 1rjv h PHE 71 N 0.03 1.16 -1.55 5.60 0.04 -1.06 -3.42 116.94 117.73 1rjv h PHE 71 Ca -0.39 -0.13 0.37 0.00 2.80 0.00 0.00 57.97 60.61 1rjv h PHE 71 Cb 2.02 -0.33 -0.11 0.00 2.20 0.00 0.00 35.95 39.73 1rjv h PHE 71 CO 0.09 0.94 0.93 0.45 -0.60 0.00 0.00 178.31 180.12 1rjv s SER 72 N -6.47 -0.02 1.08 2.17 0.15 0.14 -4.78 113.70 105.97 1rjv s SER 72 Ca -0.12 -0.09 -0.14 0.00 0.70 0.00 0.00 55.95 56.30 1rjv s SER 72 Cb 0.15 0.08 0.23 0.00 -1.71 0.00 0.00 66.02 64.77 1rjv s SER 72 CO 0.84 -0.16 1.09 -2.16 1.20 0.00 0.00 173.24 174.06 1rjv s PRO 73 N -2.13 -0.20 -1.89 5.44 0.04 -1.26 -4.06 135.00 130.94 1rjv s PRO 73 Ca 0.21 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1rjv s PRO 73 Cb 0.04 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.90 1rjv s PRO 73 CO -0.04 -3.11 0.00 -3.47 0.04 0.00 0.00 177.00 170.42 1rjv n ASP 74 N -4.41 -4.81 -0.12 6.66 2.03 -1.26 -4.92 116.55 109.72 1rjv n ASP 74 Ca 0.07 0.41 -0.05 0.00 0.52 0.00 0.00 54.79 55.75 1rjv n ASP 74 Cb 0.58 -4.29 0.02 0.00 -0.72 0.00 0.00 41.12 36.71 1rjv n ASP 74 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rjv h ALA 75 N 0.34 0.34 -2.81 -1.67 0.00 -1.84 -3.50 119.26 110.12 1rjv h ALA 75 Ca -0.38 0.12 0.31 0.00 0.00 0.00 0.00 54.91 54.97 1rjv h ALA 75 Cb 1.19 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 1rjv h ALA 75 CO 0.54 -0.41 -0.71 0.54 0.00 0.00 0.00 179.25 179.22 1rjv n ARG 76 N -5.21 -2.60 -2.54 0.00 1.74 -1.26 -4.81 116.66 101.97 1rjv n ARG 76 Ca 0.02 1.91 -0.43 0.00 -0.77 0.00 0.00 57.85 58.58 1rjv n ARG 76 Cb 0.21 -3.12 -0.02 0.00 -1.02 0.00 0.00 32.46 28.51 1rjv n ARG 76 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1rjv s ASP 77 N -6.79 6.78 0.74 0.55 -4.77 -1.26 -4.56 116.67 107.35 1rjv s ASP 77 Ca 0.00 1.03 -0.15 0.00 -3.30 0.00 0.00 52.55 50.12 1rjv s ASP 77 Cb 0.00 -2.54 0.04 0.00 -1.09 0.00 0.00 42.92 39.33 1rjv s ASP 77 CO 0.00 -1.02 1.25 -0.76 0.70 0.00 0.00 175.17 175.33 1rjv s LEU 78 N 4.08 3.33 0.69 2.11 1.43 0.64 -5.01 118.68 125.96 1rjv s LEU 78 Ca 0.50 2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 55.94 1rjv s LEU 78 Cb -0.13 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.50 1rjv s LEU 78 CO 0.21 -2.39 1.15 -0.44 0.23 0.00 0.00 176.35 175.11 1rjv s SER 79 N -1.81 4.70 0.22 2.29 0.01 -1.26 -4.83 113.70 113.02 1rjv s SER 79 Ca 0.77 2.14 -0.07 0.00 1.31 0.00 0.00 55.95 60.10 1rjv s SER 79 Cb -0.33 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.65 1rjv s SER 79 CO 0.46 -1.91 1.78 0.00 0.41 0.00 0.00 173.24 173.98 1rjv h ALA 80 N -0.14 0.96 -0.12 1.44 0.00 -1.98 -0.33 119.26 119.08 1rjv h ALA 80 Ca -0.47 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1rjv h ALA 80 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1rjv h ALA 80 CO 0.52 -0.04 -0.50 0.87 0.00 0.00 0.00 179.25 180.10 1rjv h LYS 81 N 0.61 0.32 0.40 0.00 1.79 -1.99 -0.65 116.57 117.06 1rjv h LYS 81 Ca 0.34 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1rjv h LYS 81 Cb 0.34 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1rjv h LYS 81 CO -0.25 0.75 -0.19 1.49 -1.08 0.00 0.00 179.45 180.16 1rjv h GLU 82 N 0.26 -0.52 -0.40 3.15 4.81 -1.69 -0.50 114.58 119.69 1rjv h GLU 82 Ca 0.01 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 1rjv h GLU 82 Cb 0.97 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 1rjv h GLU 82 CO 0.08 -0.33 -0.09 1.15 -0.73 0.00 0.00 179.01 179.09 1rjv h THR 83 N -0.57 0.61 0.21 0.32 2.02 -0.98 0.30 112.91 114.81 1rjv h THR 83 Ca -0.06 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1rjv h THR 83 Cb 0.43 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1rjv h THR 83 CO 0.09 0.00 -0.45 0.11 0.37 0.00 0.00 175.52 175.65 1rjv h LYS 84 N 0.01 -0.71 -0.37 6.66 1.57 -0.91 -0.23 116.57 122.60 1rjv h LYS 84 Ca 0.19 0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1rjv h LYS 84 Cb 0.29 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1rjv h LYS 84 CO -0.41 -0.47 -0.20 0.52 -0.57 0.00 0.00 179.45 178.32 1rjv h MET 85 N -0.74 0.78 -0.37 3.15 2.86 -0.91 -3.14 114.93 116.57 1rjv h MET 85 Ca -0.00 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 1rjv h MET 85 Cb 0.73 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1rjv h MET 85 CO -0.20 0.98 -0.00 1.25 1.06 0.00 0.00 176.91 179.99 1rjv h LEU 86 N 0.57 0.55 0.55 1.22 5.85 -0.33 0.36 115.31 124.09 1rjv h LEU 86 Ca 0.08 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1rjv h LEU 86 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1rjv h LEU 86 CO 0.06 0.62 -0.44 -0.03 -0.34 0.00 0.00 178.44 178.31 1rjv h MET 87 N 0.55 -0.94 -0.09 1.25 4.05 -1.06 0.14 114.93 118.83 1rjv h MET 87 Ca 0.12 0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 1rjv h MET 87 Cb 0.36 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.37 1rjv h MET 87 CO 0.01 -0.62 0.03 0.00 0.23 0.00 0.00 176.91 176.56 1rjv h ALA 88 N -0.73 0.12 0.08 0.39 0.00 -1.43 -3.12 119.26 114.57 1rjv h ALA 88 Ca -0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 1rjv h ALA 88 Cb 0.82 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1rjv h ALA 88 CO -0.00 -0.27 -1.37 0.00 0.00 0.00 0.00 179.25 177.61 1rjv h ALA 89 N 0.85 0.30 0.00 0.00 0.00 -0.35 -3.31 119.26 116.74 1rjv h ALA 89 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1rjv h ALA 89 Cb 0.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rjv h ALA 89 CO -0.00 1.17 0.00 0.78 0.00 0.00 0.00 179.25 181.20 1rjv h GLY 90 N 2.11 0.00 -7.50 0.00 0.00 -0.84 -3.34 103.07 93.50 1rjv h GLY 90 Ca -0.17 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.42 1rjv h GLY 90 CO 0.16 0.00 -0.03 -0.35 0.00 0.00 0.00 176.54 176.32 1rjv s ASP 91 N -5.24 6.18 0.26 0.19 2.15 -1.18 -4.60 116.67 114.43 1rjv s ASP 91 Ca 0.05 -3.33 0.19 0.00 0.43 0.00 0.00 52.55 49.89 1rjv s ASP 91 Cb 0.09 -2.00 0.96 0.00 -0.30 0.00 0.00 42.92 41.67 1rjv s ASP 91 CO 0.55 -0.31 1.57 0.29 -0.17 0.00 0.00 175.17 177.10 1rjv n LYS 92 N 2.93 0.13 0.21 4.34 4.76 -1.26 -0.58 118.16 128.69 1rjv n LYS 92 Ca 0.17 0.57 0.07 0.00 -2.87 0.00 0.00 58.31 56.25 1rjv n LYS 92 Cb 0.39 -1.87 0.43 0.00 -1.84 0.00 0.00 35.03 32.15 1rjv n LYS 92 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1rjv h ASP 93 N 0.00 0.00 0.00 4.39 3.32 -1.93 -3.48 116.42 118.73 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 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1rjv h ASP 93 CO 0.00 0.31 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 1rjv n GLY 94 N -0.06 0.77 0.22 2.75 0.00 0.25 -4.97 105.19 104.16 1rjv n GLY 94 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 3.32 -1.92 -3.47 116.42 115.95 1rjv h ASP 95 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjv h ASP 95 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rjv h ASP 95 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1rjv n GLY 96 N 0.49 2.86 3.53 2.75 0.00 -1.26 -5.02 105.19 108.55 1rjv n GLY 96 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.36 0.08 1.61 1.02 -1.26 -4.69 119.74 119.86 1rjv s LYS 97 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 1rjv s LYS 97 Cb 0.00 -3.93 -0.10 0.00 -0.52 0.00 0.00 37.83 33.28 1rjv s LYS 97 CO 0.00 -1.01 1.91 0.42 -0.92 0.00 0.00 175.35 175.75 1rjv s ILE 98 N 2.94 2.79 0.05 2.17 1.01 -1.09 -4.76 121.20 124.31 1rjv s ILE 98 Ca 0.25 0.02 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1rjv s ILE 98 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 1rjv s ILE 98 CO 0.20 -0.00 -0.21 -0.83 0.00 0.00 0.00 174.94 174.09 1rjv s GLY 99 N 3.67 1.53 0.15 6.18 0.00 -1.26 -2.29 107.32 115.30 1rjv s GLY 99 Ca 0.85 -1.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.16 1rjv s GLY 99 CO 0.39 -1.14 1.74 -0.24 0.00 0.00 0.00 173.10 173.86 1rjv h VAL 100 N 4.01 0.88 -0.60 1.40 3.04 -1.94 0.19 116.25 123.23 1rjv h VAL 100 Ca -0.48 -0.07 0.12 0.00 -1.01 0.00 0.00 66.70 65.27 1rjv h VAL 100 Cb 1.15 0.66 -0.10 0.00 -2.01 0.00 0.00 31.29 30.98 1rjv h VAL 100 CO 0.46 0.04 -0.02 0.44 -1.01 0.00 0.00 177.57 177.47 1rjv h ASP 101 N 0.21 -0.31 0.08 3.17 5.19 -1.98 0.23 116.42 123.01 1rjv h ASP 101 Ca 0.14 0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1rjv h ASP 101 Cb 0.13 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1rjv h ASP 101 CO -0.17 -0.12 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.46 1rjv h GLU 102 N 0.10 -0.10 -0.98 3.56 5.08 -1.78 -3.08 114.58 117.37 1rjv h GLU 102 Ca 0.31 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.82 1rjv h GLU 102 Cb 0.50 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1rjv h GLU 102 CO -0.53 0.36 0.62 0.35 -1.00 0.00 0.00 179.01 178.80 1rjv h PHE 103 N -0.62 1.04 -0.66 4.33 3.57 -0.25 0.40 116.94 124.75 1rjv h PHE 103 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1rjv h PHE 103 Cb 0.51 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1rjv h PHE 103 CO 0.09 0.37 0.16 1.03 -2.23 0.00 0.00 178.31 177.73 1rjv h SER 104 N 0.87 1.01 0.63 0.41 0.87 -1.04 -3.32 113.55 112.99 1rjv h SER 104 Ca 0.50 -0.24 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 1rjv h SER 104 Cb 0.63 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 1rjv h SER 104 CO -0.27 0.99 -1.46 0.35 -0.53 0.00 0.00 176.83 175.90 1rjv n THR 105 N -4.28 0.91 -0.34 2.23 -2.24 -0.37 -4.19 114.28 106.00 1rjv n THR 105 Ca 0.04 -0.65 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1rjv n THR 105 Cb 0.26 -0.53 0.23 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.65 -0.46 3.22 7.12 -0.37 0.54 115.31 124.71 1rjv h LEU 106 Ca -0.13 0.29 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1rjv h LEU 106 Cb 1.42 0.53 0.00 0.00 -0.53 0.00 0.00 40.66 42.08 1rjv h LEU 106 CO 0.03 -0.34 -0.39 1.33 -0.13 0.00 0.00 178.44 178.94 1rjv n VAL 107 N -5.54 0.00 -0.00 1.05 0.24 -1.26 -0.55 118.33 112.27 1rjv n VAL 107 Ca 0.20 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 62.16 1rjv n VAL 107 Cb 0.65 0.55 -0.14 0.00 -1.47 0.00 0.00 33.84 33.43 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 3.55 0.36 -0.56 2.33 0.00 -1.28 -3.28 119.26 120.39 1rjv h ALA 108 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 54.91 53.61 1rjv h ALA 108 Cb 0.55 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1rjv h ALA 108 CO 0.00 1.16 0.37 0.93 0.00 0.00 0.00 179.25 181.71 1rjv h GLU 109 N -0.11 0.65 0.00 0.00 5.08 -1.03 -3.52 114.58 115.65 1rjv h GLU 109 Ca -0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1rjv h GLU 109 Cb 1.92 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1rjv h GLU 109 CO 0.05 0.43 0.00 -1.13 -1.00 0.00 0.00 179.01 177.36