#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjv s SER 2 N 0.00 4.00 -1.04 7.83 0.01 -1.26 -4.85 113.70 118.40 1rjv s SER 2 Ca 0.00 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.12 1rjv s SER 2 Cb 0.00 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 1rjv s SER 2 CO 0.00 -3.74 1.92 0.80 0.41 0.00 0.00 173.24 172.63 1rjv n MET 3 N 8.84 1.58 0.10 12.44 0.00 -1.26 -2.77 117.12 136.04 1rjv n MET 3 Ca 0.46 -2.26 0.00 0.00 0.00 0.00 0.00 57.70 55.89 1rjv n MET 3 Cb 0.44 -3.45 0.00 0.00 0.00 0.00 0.00 33.22 30.22 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 7.18 0.00 0.12 1.12 -1.04 -1.26 -4.75 114.28 115.65 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 0.44 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.80 1rjv n THR 4 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1rjv h ASP 5 N 0.00 0.68 0.78 8.00 5.19 -1.90 -2.03 116.42 127.14 1rjv h ASP 5 Ca 0.00 -0.79 -0.04 0.00 -0.62 0.00 0.00 57.03 55.59 1rjv h ASP 5 Cb 0.00 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 39.30 1rjv h ASP 5 CO 0.00 1.63 -0.38 -0.07 -3.12 0.00 0.00 179.24 177.30 1rjv h LEU 6 N 0.12 -0.89 0.00 1.55 -0.00 -1.95 -3.40 115.31 110.74 1rjv h LEU 6 Ca -0.25 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.64 1rjv h LEU 6 Cb 2.11 0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 42.99 1rjv h LEU 6 CO 0.23 -0.53 -0.45 -0.07 -0.00 0.00 0.00 178.44 177.63 1rjv h LEU 7 N -1.25 0.00 0.00 1.67 3.38 -1.88 -3.50 115.31 113.72 1rjv h LEU 7 Ca -0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1rjv h LEU 7 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1rjv h LEU 7 CO 0.18 0.76 0.00 0.59 0.09 0.00 0.00 178.44 180.06 1rjv n ASN 8 N -4.64 0.00 -0.35 -0.43 3.02 -0.81 -4.92 115.26 107.13 1rjv n ASN 8 Ca -0.08 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1rjv n ASN 8 Cb 0.24 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.74 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 1.66 -0.12 5.41 0.00 -1.72 0.29 119.26 124.77 1rjv h ALA 9 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rjv h ALA 9 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rjv h ALA 9 CO 0.00 -0.07 0.07 0.93 0.00 0.00 0.00 179.25 180.18 1rjv h GLU 10 N 0.74 0.16 0.15 0.00 5.08 -1.96 -0.72 114.58 118.04 1rjv h GLU 10 Ca 0.58 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.57 1rjv h GLU 10 Cb 0.92 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1rjv h GLU 10 CO -0.39 0.12 -1.87 -0.44 -1.00 0.00 0.00 179.01 175.43 1rjv h ASP 11 N 0.17 0.50 -0.91 1.42 3.32 -1.50 -3.32 116.42 116.09 1rjv h ASP 11 Ca 0.04 -0.92 0.20 0.00 0.02 0.00 0.00 57.03 56.38 1rjv h ASP 11 Cb -0.00 -0.16 -0.11 0.00 0.22 0.00 0.00 39.33 39.27 1rjv h ASP 11 CO -0.01 1.80 0.47 0.40 -1.72 0.00 0.00 179.24 180.18 1rjv h ILE 12 N 0.09 0.58 0.18 0.35 5.03 -0.80 -1.97 117.51 120.97 1rjv h ILE 12 Ca -0.38 -0.18 0.01 0.00 -0.12 0.00 0.00 64.86 64.19 1rjv h ILE 12 Cb 2.07 -0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 35.81 1rjv h ILE 12 CO 0.13 0.10 -0.49 0.11 -0.68 0.00 0.00 178.15 177.32 1rjv h LYS 13 N 0.53 -0.73 0.00 2.37 1.79 -1.23 0.45 116.57 119.75 1rjv h LYS 13 Ca 0.55 0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.97 1rjv h LYS 13 Cb 0.97 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1rjv h LYS 13 CO -0.46 -0.49 -0.47 1.57 -1.08 0.00 0.00 179.45 178.52 1rjv h LYS 14 N -0.76 0.00 0.30 3.15 -0.00 -1.68 -2.93 116.57 114.64 1rjv h LYS 14 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.63 1rjv h LYS 14 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.99 1rjv h LYS 14 CO -0.24 0.47 -0.14 0.00 -0.00 0.00 0.00 179.45 179.54 1rjv h ALA 15 N 1.53 -0.40 -0.89 0.07 0.00 -0.98 -2.78 119.26 115.82 1rjv h ALA 15 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1rjv h ALA 15 Cb 1.01 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1rjv h ALA 15 CO 0.06 -0.58 0.58 0.28 0.00 0.00 0.00 179.25 179.59 1rjv h VAL 16 N -0.69 1.11 0.00 0.00 2.07 -1.00 -0.47 116.25 117.28 1rjv h VAL 16 Ca -0.04 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1rjv h VAL 16 Cb 0.48 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1rjv h VAL 16 CO 0.07 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1rjv n GLY 17 N -1.40 -0.71 0.12 2.17 0.00 -1.11 -0.79 105.19 103.47 1rjv n GLY 17 Ca 0.12 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1rjv n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjv n ALA 18 N -1.58 0.92 0.12 4.61 0.00 -0.20 -4.52 120.51 119.85 1rjv n ALA 18 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 53.44 52.83 1rjv n ALA 18 Cb 0.05 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1rjv n ALA 18 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1rjv h PHE 19 N -0.50 0.00 0.00 0.00 0.04 -1.36 -3.43 116.94 111.69 1rjv h PHE 19 Ca -0.44 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.71 1rjv h PHE 19 Cb 1.67 0.00 0.07 0.00 2.20 0.00 0.00 35.95 39.89 1rjv h PHE 19 CO 0.07 0.47 2.11 0.43 -0.60 0.00 0.00 178.31 180.78 1rjv n SER 20 N -3.12 2.25 0.00 2.17 7.64 0.03 -4.64 113.62 117.94 1rjv n SER 20 Ca -0.01 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.25 1rjv n SER 20 Cb 0.74 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 7.67 0.00 -3.68 -0.43 0.00 -1.26 -4.99 120.51 117.82 1rjv n ALA 21 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1rjv n ALA 21 Cb 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.07 0.44 0.00 0.00 -4.23 -1.26 -4.38 115.64 105.15 1rjv s THR 22 Ca 0.00 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1rjv s THR 22 Cb 0.00 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1rjv s THR 22 CO 0.00 -0.49 0.00 -0.67 -0.54 0.00 0.00 174.62 172.92 1rjv n ASP 23 N 5.05 -0.25 -1.24 3.99 2.03 -1.26 -4.90 116.55 119.97 1rjv n ASP 23 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1rjv n ASP 23 Cb 0.44 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1rjv n ASP 23 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rjv n SER 24 N -0.03 3.92 -4.55 1.67 7.64 -1.26 -4.90 113.62 116.11 1rjv n SER 24 Ca 0.00 -2.12 -0.40 0.00 1.01 0.00 0.00 58.87 57.36 1rjv n SER 24 Cb 0.01 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 62.43 1rjv n SER 24 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1rjv s PHE 25 N 0.06 1.95 -0.77 1.43 5.36 -1.26 -4.75 117.98 120.00 1rjv s PHE 25 Ca 0.00 0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 56.42 1rjv s PHE 25 Cb 0.00 -4.31 0.19 0.00 -0.34 0.00 0.00 43.02 38.57 1rjv s PHE 25 CO 0.00 -2.21 0.62 0.34 -1.46 0.00 0.00 175.22 172.51 1rjv s ASP 26 N 6.13 5.58 0.18 6.13 -1.08 -1.26 -4.96 116.67 127.39 1rjv s ASP 26 Ca 0.55 -3.40 -0.14 0.00 -0.52 0.00 0.00 52.55 49.04 1rjv s ASP 26 Cb -0.11 -1.86 0.16 0.00 -1.46 0.00 0.00 42.92 39.65 1rjv s ASP 26 CO 0.20 -0.25 1.73 -0.74 0.52 0.00 0.00 175.17 176.63 1rjv h HIS 27 N 6.34 0.20 -0.32 -5.34 -0.00 -1.95 0.38 115.15 114.46 1rjv h HIS 27 Ca 0.09 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1rjv h HIS 27 Cb 0.86 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 28.18 1rjv h HIS 27 CO 0.72 0.03 -0.50 1.57 -0.00 0.00 0.00 177.93 179.75 1rjv h LYS 28 N 0.26 -0.38 -0.22 5.26 2.10 -1.89 0.64 116.57 122.36 1rjv h LYS 28 Ca 0.23 0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.95 1rjv h LYS 28 Cb 0.28 0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 1rjv h LYS 28 CO -0.28 -0.25 -0.04 0.87 -2.00 0.00 0.00 179.45 177.75 1rjv h LYS 29 N -0.39 0.02 0.06 0.07 6.56 -1.79 -0.39 116.57 120.72 1rjv h LYS 29 Ca 0.06 -0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1rjv h LYS 29 Cb 0.55 -0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 1rjv h LYS 29 CO -0.50 0.01 -0.30 0.35 -2.06 0.00 0.00 179.45 176.95 1rjv h PHE 30 N 0.02 -0.82 -0.82 -1.35 3.04 -0.73 0.26 116.94 116.55 1rjv h PHE 30 Ca 0.10 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.08 1rjv h PHE 30 Cb 0.15 0.35 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 1rjv h PHE 30 CO -0.22 -0.40 0.54 0.74 -2.02 0.00 0.00 178.31 176.95 1rjv h PHE 31 N -0.49 1.03 -0.00 0.41 -1.00 -0.69 0.13 116.94 116.33 1rjv h PHE 31 Ca 0.04 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 1rjv h PHE 31 Cb 0.54 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 1rjv h PHE 31 CO -0.30 0.65 -0.00 1.96 -1.61 0.00 0.00 178.31 179.01 1rjv h GLN 32 N 1.11 0.00 -0.09 1.51 4.20 -0.70 -1.37 115.11 119.76 1rjv h GLN 32 Ca 0.30 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1rjv h GLN 32 Cb -0.12 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1rjv h GLN 32 CO -0.06 0.40 0.06 0.52 -0.67 0.00 0.00 178.83 179.07 1rjv h MET 33 N -0.39 0.12 0.00 1.46 2.86 -0.24 -2.92 114.93 115.83 1rjv h MET 33 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1rjv h MET 33 Cb 0.40 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1rjv h MET 33 CO 0.00 0.11 0.00 1.55 1.06 0.00 0.00 176.91 179.63 1rjv n VAL 34 N -5.01 0.49 -0.98 -2.22 3.14 0.43 -4.67 118.33 109.51 1rjv n VAL 34 Ca -0.05 0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1rjv n VAL 34 Cb 0.04 -0.75 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.79 0.63 0.40 7.55 0.00 -1.01 -4.60 105.19 108.96 1rjv n GLY 35 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.52 -1.76 0.99 3.38 -1.54 0.59 115.31 115.45 1rjv h LEU 36 Ca 0.00 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1rjv h LEU 36 Cb 0.06 0.60 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1rjv h LEU 36 CO 0.00 -0.40 0.49 0.11 0.09 0.00 0.00 178.44 178.72 1rjv h LYS 37 N -0.47 0.00 0.00 1.13 1.57 -1.93 -0.49 116.57 116.38 1rjv h LYS 37 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1rjv h LYS 37 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1rjv h LYS 37 CO -0.41 0.00 -1.43 1.63 -0.57 0.00 0.00 179.45 178.68 1rjv n LYS 38 N -3.18 0.31 -1.81 3.15 5.02 0.03 -4.93 118.16 116.75 1rjv n LYS 38 Ca 0.03 -0.08 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 1rjv n LYS 38 Cb 0.59 -1.52 0.11 0.00 -0.02 0.00 0.00 35.03 34.19 1rjv n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rjv s LYS 39 N -3.24 1.67 0.68 1.97 3.01 -0.19 -5.08 119.74 118.56 1rjv s LYS 39 Ca 0.01 0.12 -0.12 0.00 -1.01 0.00 0.00 55.97 54.97 1rjv s LYS 39 Cb 0.15 -1.92 0.00 0.00 -1.01 0.00 0.00 37.83 35.06 1rjv s LYS 39 CO 0.88 -1.80 1.06 0.45 0.51 0.00 0.00 175.35 176.45 1rjv s SER 40 N -4.47 5.41 0.28 2.83 0.15 -1.26 -4.87 113.70 111.76 1rjv s SER 40 Ca 0.63 1.66 0.01 0.00 0.70 0.00 0.00 55.95 58.96 1rjv s SER 40 Cb -0.11 -2.50 0.58 0.00 -1.71 0.00 0.00 66.02 62.27 1rjv s SER 40 CO 0.50 -1.43 1.79 0.00 1.20 0.00 0.00 173.24 175.31 1rjv h ALA 41 N -0.54 1.43 0.00 5.45 0.00 -1.97 0.78 119.26 124.42 1rjv h ALA 41 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1rjv h ALA 41 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rjv h ALA 41 CO 0.57 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.59 1rjv n ASP 42 N -4.76 0.00 -0.02 0.00 8.00 -1.26 -2.21 116.55 116.29 1rjv n ASP 42 Ca 0.19 -0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.36 1rjv n ASP 42 Cb 0.43 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 41.11 1rjv n ASP 42 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1rjv h ASP 43 N 0.00 0.29 -1.17 -2.24 3.58 -1.42 -3.35 116.42 112.10 1rjv h ASP 43 Ca 0.00 -0.79 0.36 0.00 0.42 0.00 0.00 57.03 57.02 1rjv h ASP 43 Cb 0.28 -0.09 -0.12 0.00 1.72 0.00 0.00 39.33 41.11 1rjv h ASP 43 CO 0.00 1.65 0.74 0.58 -2.88 0.00 0.00 179.24 179.33 1rjv h VAL 44 N -0.39 0.27 0.05 2.25 2.07 -0.76 0.22 116.25 119.96 1rjv h VAL 44 Ca -0.35 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1rjv h VAL 44 Cb 1.71 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1rjv h VAL 44 CO -0.00 0.04 -0.10 0.11 0.02 0.00 0.00 177.57 177.63 1rjv h LYS 45 N 0.22 -0.16 -0.23 1.57 1.57 -1.60 -1.04 116.57 116.90 1rjv h LYS 45 Ca 0.74 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.59 1rjv h LYS 45 Cb 2.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.43 1rjv h LYS 45 CO -0.42 -0.11 0.18 0.87 -0.57 0.00 0.00 179.45 179.40 1rjv h LYS 46 N -0.16 0.00 0.05 3.15 6.56 -0.80 0.25 116.57 125.62 1rjv h LYS 46 Ca -0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1rjv h LYS 46 Cb 0.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 1rjv h LYS 46 CO -0.04 0.00 -0.02 0.28 -2.06 0.00 0.00 179.45 177.60 1rjv h VAL 47 N 0.00 0.00 -0.97 0.50 2.07 -1.01 0.13 116.25 116.97 1rjv h VAL 47 Ca 0.11 -0.01 0.31 0.00 0.82 0.00 0.00 66.70 67.92 1rjv h VAL 47 Cb 0.46 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.08 1rjv h VAL 47 CO -0.00 0.00 0.46 0.15 0.02 0.00 0.00 177.57 178.20 1rjv h PHE 48 N -0.08 0.74 0.00 1.57 3.57 -0.79 -1.87 116.94 120.08 1rjv h PHE 48 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1rjv h PHE 48 Cb 0.05 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1rjv h PHE 48 CO 0.18 -0.22 -0.08 0.45 -2.23 0.00 0.00 178.31 176.40 1rjv h HIS 49 N 0.26 0.00 0.06 0.41 3.86 -0.57 -2.38 115.15 116.80 1rjv h HIS 49 Ca 0.69 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 59.66 1rjv h HIS 49 Cb 1.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 1rjv h HIS 49 CO -0.09 0.08 -1.12 1.98 0.86 0.00 0.00 177.93 179.64 1rjv h MET 50 N 0.00 0.13 -0.73 2.45 1.85 -1.30 -3.22 114.93 114.11 1rjv h MET 50 Ca -0.00 -0.22 -0.06 0.00 -0.61 0.00 0.00 59.70 58.81 1rjv h MET 50 Cb 0.17 0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.25 1rjv h MET 50 CO 0.01 1.10 0.22 -0.07 -0.40 0.00 0.00 176.91 177.77 1rjv h LEU 51 N 0.03 1.05 -6.68 3.39 3.38 -1.48 -3.32 115.31 111.69 1rjv h LEU 51 Ca -0.07 -0.20 -0.59 0.00 0.09 0.00 0.00 57.88 57.11 1rjv h LEU 51 Cb 1.87 -0.28 0.10 0.00 0.09 0.00 0.00 40.66 42.44 1rjv h LEU 51 CO 0.16 0.98 1.82 -0.67 0.09 0.00 0.00 178.44 180.82 1rjv n ASP 52 N -4.25 1.77 -1.42 -0.43 -0.08 -0.96 -4.81 116.55 106.37 1rjv n ASP 52 Ca 0.06 -2.56 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 1rjv n ASP 52 Cb 0.23 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 42.89 1rjv n ASP 52 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1rjv n LYS 53 N 7.34 0.29 0.00 -0.67 4.76 -1.25 -1.52 118.16 127.11 1rjv n LYS 53 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 1rjv n LYS 53 Cb 0.39 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1rjv n LYS 53 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1rjv n ASP 54 N 1.34 0.00 0.00 4.39 5.75 -1.26 -5.08 116.55 121.69 1rjv n ASP 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1rjv n ASP 54 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 -0.58 0.00 0.19 0.11 3.00 -0.57 -4.98 118.16 115.32 1rjv n LYS 55 Ca 0.00 0.05 0.17 0.00 -0.00 0.00 0.00 58.31 58.53 1rjv n LYS 55 Cb 0.00 -1.86 0.80 0.00 0.00 0.00 0.00 35.03 33.97 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 -1.98 -3.46 113.55 115.89 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 -1.44 0.87 3.01 -0.77 0.00 -1.26 -5.08 105.19 100.52 1rjv n GLY 57 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 0.45 -0.21 1.61 0.08 -1.26 -4.75 117.98 111.90 1rjv s PHE 58 Ca 0.00 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.50 1rjv s PHE 58 Cb 0.00 -0.29 -0.05 0.00 -0.57 0.00 0.00 43.02 42.12 1rjv s PHE 58 CO 0.00 -0.11 0.20 0.42 -0.10 0.00 0.00 175.22 175.63 1rjv s ILE 59 N -1.20 5.35 0.36 0.64 1.01 -0.92 -4.87 121.20 121.57 1rjv s ILE 59 Ca -0.10 0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.93 1rjv s ILE 59 Cb -0.09 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1rjv s ILE 59 CO -0.00 0.37 0.13 -1.61 0.00 0.00 0.00 174.94 173.83 1rjv s GLU 60 N 0.78 2.29 0.40 2.79 8.01 -1.26 -2.44 118.70 129.27 1rjv s GLU 60 Ca 0.10 -1.64 0.14 0.00 0.01 0.00 0.00 54.97 53.58 1rjv s GLU 60 Cb -0.13 -2.10 0.99 0.00 -4.31 0.00 0.00 34.13 28.59 1rjv s GLU 60 CO 0.03 0.06 1.88 1.05 0.01 0.00 0.00 175.26 178.29 1rjv h GLU 61 N 1.55 0.48 -0.86 1.61 4.11 -1.96 -0.78 114.58 118.73 1rjv h GLU 61 Ca -0.43 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.03 1rjv h GLU 61 Cb 1.25 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1rjv h GLU 61 CO 0.65 0.32 0.56 -0.44 0.07 0.00 0.00 179.01 180.17 1rjv h ASP 62 N 0.49 0.85 0.09 3.06 5.19 -2.02 -2.15 116.42 121.93 1rjv h ASP 62 Ca 0.42 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.66 1rjv h ASP 62 Cb 0.91 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.25 1rjv h ASP 62 CO -0.16 0.55 -0.86 -0.33 -3.12 0.00 0.00 179.24 175.32 1rjv h GLU 63 N 0.97 0.20 -0.86 3.56 5.08 -1.70 -3.41 114.58 118.42 1rjv h GLU 63 Ca 0.36 -0.34 0.21 0.00 -1.00 0.00 0.00 59.36 58.60 1rjv h GLU 63 Cb 0.19 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1rjv h GLU 63 CO -0.13 1.16 0.59 1.25 -1.00 0.00 0.00 179.01 180.88 1rjv h LEU 64 N -0.53 0.25 -2.03 1.33 5.85 -0.54 0.21 115.31 119.84 1rjv h LEU 64 Ca -0.18 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.69 1rjv h LEU 64 Cb 1.52 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1rjv h LEU 64 CO 0.06 0.10 0.33 1.23 -0.34 0.00 0.00 178.44 179.82 1rjv h GLY 65 N 0.25 0.00 -3.33 3.75 0.00 -1.68 -3.30 103.07 98.75 1rjv h GLY 65 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.59 1rjv h GLY 65 CO -0.11 0.00 -0.80 1.97 0.00 0.00 0.00 176.54 177.60 1rjv n PHE 66 N -4.26 0.04 -0.34 5.60 1.16 0.44 -1.48 117.46 118.63 1rjv n PHE 66 Ca 0.07 -0.88 0.22 0.00 -1.87 0.00 0.00 57.45 54.99 1rjv n PHE 66 Cb 0.52 0.14 0.45 0.00 -1.61 0.00 0.00 39.48 38.98 1rjv n PHE 66 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1rjv h ILE 67 N 6.02 0.39 -0.63 1.97 -0.00 -0.82 0.10 117.51 124.54 1rjv h ILE 67 Ca -0.32 -0.14 0.18 0.00 -0.00 0.00 0.00 64.86 64.58 1rjv h ILE 67 Cb 1.62 -0.06 -0.03 0.00 -0.00 0.00 0.00 36.82 38.35 1rjv h ILE 67 CO -0.01 0.08 0.45 -0.07 -0.00 0.00 0.00 178.15 178.60 1rjv h LEU 68 N 0.41 0.04 0.00 2.19 3.38 -1.87 -0.90 115.31 118.56 1rjv h LEU 68 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1rjv h LEU 68 Cb 1.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1rjv h LEU 68 CO -0.54 0.02 0.00 1.17 0.09 0.00 0.00 178.44 179.18 1rjv n LYS 69 N -4.36 0.01 0.01 1.13 0.00 0.02 -0.68 118.16 114.28 1rjv n LYS 69 Ca 0.12 0.30 0.11 0.00 0.00 0.00 0.00 58.31 58.84 1rjv n LYS 69 Cb 0.68 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.20 1rjv n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rjv n GLY 70 N -0.34 -1.13 0.13 3.14 0.00 -0.34 -4.20 105.19 102.45 1rjv n GLY 70 Ca 0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1rjv n GLY 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1rjv h PHE 71 N 0.00 0.68 -1.83 1.61 0.04 -1.00 -3.42 116.94 113.02 1rjv h PHE 71 Ca 0.00 -0.47 0.34 0.00 2.80 0.00 0.00 57.97 60.64 1rjv h PHE 71 Cb 0.66 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.68 1rjv h PHE 71 CO 0.00 1.35 0.88 -1.12 -0.60 0.00 0.00 178.31 178.82 1rjv s SER 72 N -7.10 -0.02 1.02 2.17 0.01 -0.78 -4.83 113.70 104.18 1rjv s SER 72 Ca -0.12 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 1rjv s SER 72 Cb 0.02 0.15 0.20 0.00 0.21 0.00 0.00 66.02 66.60 1rjv s SER 72 CO 0.86 -0.29 1.08 -2.16 0.41 0.00 0.00 173.24 173.14 1rjv s PRO 73 N -2.16 0.23 -1.44 12.44 0.04 -1.26 -3.76 135.00 139.08 1rjv s PRO 73 Ca 0.23 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1rjv s PRO 73 Cb 0.02 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.86 1rjv s PRO 73 CO -0.02 -2.91 0.00 -3.47 0.04 0.00 0.00 177.00 170.64 1rjv n ASP 74 N -4.33 -5.58 -0.01 6.66 2.03 -1.26 -4.91 116.55 109.15 1rjv n ASP 74 Ca 0.05 0.34 -0.10 0.00 0.52 0.00 0.00 54.79 55.59 1rjv n ASP 74 Cb 0.56 -4.28 -0.04 0.00 -0.72 0.00 0.00 41.12 36.64 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 0.00 -0.37 -2.29 -1.67 0.00 -1.84 -3.47 119.26 109.62 1rjv h ALA 75 Ca -0.28 0.03 0.27 0.00 0.00 0.00 0.00 54.91 54.93 1rjv h ALA 75 Cb 1.20 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 1rjv h ALA 75 CO 0.41 -0.80 -0.36 0.54 0.00 0.00 0.00 179.25 179.03 1rjv n ARG 76 N -5.41 -2.03 -3.22 0.00 1.74 -1.26 -4.66 116.66 101.81 1rjv n ARG 76 Ca -0.03 1.34 -0.43 0.00 -0.77 0.00 0.00 57.85 57.96 1rjv n ARG 76 Cb 0.33 -2.47 -0.08 0.00 -1.02 0.00 0.00 32.46 29.22 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 -5.66 6.26 1.04 0.55 2.15 -1.26 -4.57 116.67 115.18 1rjv s ASP 77 Ca 0.00 -0.44 -0.14 0.00 0.43 0.00 0.00 52.55 52.40 1rjv s ASP 77 Cb 0.00 -2.27 0.21 0.00 -0.30 0.00 0.00 42.92 40.56 1rjv s ASP 77 CO 0.00 -0.65 1.10 -1.48 -0.17 0.00 0.00 175.17 173.97 1rjv s LEU 78 N 2.45 1.41 0.53 -1.34 -0.00 -0.55 -5.01 118.68 116.18 1rjv s LEU 78 Ca 0.17 1.05 -0.22 0.00 -0.00 0.00 0.00 54.13 55.14 1rjv s LEU 78 Cb -0.16 -3.15 -0.05 0.00 -0.00 0.00 0.00 46.19 42.83 1rjv s LEU 78 CO 0.16 -3.32 1.34 -0.55 -0.00 0.00 0.00 176.35 173.97 1rjv s SER 79 N -3.56 5.40 0.50 1.48 0.15 -1.26 -4.88 113.70 111.52 1rjv s SER 79 Ca 0.66 2.72 0.22 0.00 0.70 0.00 0.00 55.95 60.26 1rjv s SER 79 Cb -0.17 -2.63 1.29 0.00 -1.71 0.00 0.00 66.02 62.80 1rjv s SER 79 CO 0.57 -1.48 1.97 0.00 1.20 0.00 0.00 173.24 175.51 1rjv h ALA 80 N 1.56 2.39 -0.54 5.45 0.00 -1.97 0.25 119.26 126.40 1rjv h ALA 80 Ca -0.51 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1rjv h ALA 80 Cb 1.29 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1rjv h ALA 80 CO 0.58 -0.55 0.07 0.87 0.00 0.00 0.00 179.25 180.21 1rjv h LYS 81 N 0.13 0.90 0.78 0.00 1.57 -2.00 -3.01 116.57 114.94 1rjv h LYS 81 Ca 0.29 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1rjv h LYS 81 Cb 0.96 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.18 1rjv h LYS 81 CO -0.04 0.89 -0.37 1.49 -0.57 0.00 0.00 179.45 180.85 1rjv h GLU 82 N 0.79 -1.01 -0.86 3.15 4.81 -1.30 -1.66 114.58 118.50 1rjv h GLU 82 Ca 0.16 0.07 0.21 0.00 -0.13 0.00 0.00 59.36 59.67 1rjv h GLU 82 Cb 0.44 0.23 -0.13 0.00 0.63 0.00 0.00 28.75 29.92 1rjv h GLU 82 CO 0.01 -0.67 0.28 0.00 -0.73 0.00 0.00 179.01 177.90 1rjv h THR 83 N -1.16 0.41 0.13 0.32 1.03 -1.56 0.33 112.91 112.40 1rjv h THR 83 Ca -0.11 -0.10 0.02 0.00 -0.01 0.00 0.00 66.41 66.21 1rjv h THR 83 Cb 0.80 0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 67.94 1rjv h THR 83 CO 0.18 0.05 -0.41 0.11 -0.01 0.00 0.00 175.52 175.44 1rjv h LYS 84 N 0.29 -0.63 -0.15 0.00 1.57 -1.36 -0.07 116.57 116.22 1rjv h LYS 84 Ca 0.53 0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 59.18 1rjv h LYS 84 Cb 1.01 0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.47 1rjv h LYS 84 CO -0.58 -0.42 -0.57 1.98 -0.57 0.00 0.00 179.45 179.29 1rjv h MET 85 N -0.65 0.66 -0.60 3.15 4.05 -0.29 -3.16 114.93 118.08 1rjv h MET 85 Ca 0.02 -0.50 0.10 0.00 -0.28 0.00 0.00 59.70 59.04 1rjv h MET 85 Cb 0.67 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.49 1rjv h MET 85 CO -0.23 1.12 0.18 1.25 0.23 0.00 0.00 176.91 179.46 1rjv h LEU 86 N 0.33 0.12 0.08 3.39 6.46 -0.39 0.11 115.31 125.41 1rjv h LEU 86 Ca -0.03 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1rjv h LEU 86 Cb 1.20 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 1rjv h LEU 86 CO 0.12 0.07 -0.29 -0.03 -0.62 0.00 0.00 178.44 177.69 1rjv h MET 87 N 0.34 -0.41 -0.97 1.25 4.05 -1.03 0.13 114.93 118.28 1rjv h MET 87 Ca 0.31 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.80 1rjv h MET 87 Cb 0.42 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.26 1rjv h MET 87 CO -0.35 -0.27 0.63 0.00 0.23 0.00 0.00 176.91 177.15 1rjv h ALA 88 N -1.02 1.29 -0.06 0.39 0.00 -1.40 0.28 119.26 118.75 1rjv h ALA 88 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1rjv h ALA 88 Cb 0.42 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1rjv h ALA 88 CO -0.15 0.51 -0.59 0.00 0.00 0.00 0.00 179.25 179.03 1rjv h ALA 89 N 1.40 0.15 -0.13 0.00 0.00 -0.75 -3.34 119.26 116.59 1rjv h ALA 89 Ca 0.39 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1rjv h ALA 89 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1rjv h ALA 89 CO -0.13 0.40 -0.68 0.78 0.00 0.00 0.00 179.25 179.62 1rjv h GLY 90 N 0.06 0.59 -5.79 0.00 0.00 -0.61 -3.30 103.07 94.02 1rjv h GLY 90 Ca -0.06 -0.79 -0.53 0.00 0.00 0.00 0.00 47.33 45.96 1rjv h GLY 90 CO 0.12 0.70 2.68 1.34 0.00 0.00 0.00 176.54 181.38 1rjv n ASP 91 N -3.90 4.39 0.00 0.19 2.03 0.08 -4.20 116.55 115.14 1rjv n ASP 91 Ca -0.05 -2.51 0.07 0.00 0.52 0.00 0.00 54.79 52.82 1rjv n ASP 91 Cb 0.68 -1.20 0.40 0.00 -0.72 0.00 0.00 41.12 40.29 1rjv n ASP 91 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1rjv n LYS 92 N 5.25 0.57 0.01 -0.67 2.85 -1.24 -1.89 118.16 123.04 1rjv n LYS 92 Ca 0.50 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.83 1rjv n LYS 92 Cb 0.25 -1.37 -0.12 0.00 -0.65 0.00 0.00 35.03 33.15 1rjv n LYS 92 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1rjv n ASP 93 N -0.87 0.31 0.00 -5.58 8.00 -1.26 -5.02 116.55 112.12 1rjv n ASP 93 Ca 0.10 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1rjv n ASP 93 Cb 0.05 1.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 1rjv n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rjv n GLY 94 N 1.32 0.73 0.01 0.44 0.00 -0.79 -5.00 105.19 101.90 1rjv n GLY 94 Ca -0.07 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 1.25 0.31 0.00 1.61 8.00 -1.26 -4.96 116.55 121.50 1rjv n ASP 95 Ca 0.00 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1rjv n ASP 95 Cb 0.09 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.47 0.45 3.03 0.44 0.00 -1.26 -5.04 105.19 104.27 1rjv n GLY 96 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 0.51 0.30 1.61 3.01 -1.26 -4.85 119.74 118.58 1rjv s LYS 97 Ca 0.00 -0.53 -0.29 0.00 -1.01 0.00 0.00 55.97 54.13 1rjv s LYS 97 Cb 0.00 -0.38 -0.10 0.00 -1.01 0.00 0.00 37.83 36.34 1rjv s LYS 97 CO 0.00 0.09 1.27 0.42 0.51 0.00 0.00 175.35 177.63 1rjv s ILE 98 N -0.85 2.95 0.31 2.17 1.01 -1.02 -4.37 121.20 121.40 1rjv s ILE 98 Ca -0.05 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.61 1rjv s ILE 98 Cb -0.07 -3.59 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 1rjv s ILE 98 CO 0.00 0.21 -0.08 -0.83 0.00 0.00 0.00 174.94 174.24 1rjv s GLY 99 N -0.42 2.03 0.10 6.18 0.00 -1.26 -2.17 107.32 111.78 1rjv s GLY 99 Ca 0.49 -2.01 -0.23 0.00 0.00 0.00 0.00 44.72 42.98 1rjv s GLY 99 CO 0.48 -1.95 1.72 -0.24 0.00 0.00 0.00 173.10 173.11 1rjv h VAL 100 N 2.14 0.89 0.22 1.40 3.04 -1.93 -0.78 116.25 121.23 1rjv h VAL 100 Ca -0.41 0.00 -0.33 0.00 -1.01 0.00 0.00 66.70 64.95 1rjv h VAL 100 Cb 1.24 0.89 0.03 0.00 -2.01 0.00 0.00 31.29 31.44 1rjv h VAL 100 CO 0.69 0.00 -1.50 -0.78 -1.01 0.00 0.00 177.57 174.97 1rjv h ASP 101 N -0.07 0.73 0.02 3.17 1.82 -1.97 -3.24 116.42 116.88 1rjv h ASP 101 Ca 0.02 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 1rjv h ASP 101 Cb 0.09 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 39.86 1rjv h ASP 101 CO -0.05 1.66 -0.03 -0.33 -1.61 0.00 0.00 179.24 178.88 1rjv h GLU 102 N 0.13 -0.05 0.00 0.28 5.08 -1.92 -0.71 114.58 117.39 1rjv h GLU 102 Ca -0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1rjv h GLU 102 Cb 2.13 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.39 1rjv h GLU 102 CO 0.25 -0.03 -0.02 0.27 -1.00 0.00 0.00 179.01 178.47 1rjv h PHE 103 N -0.05 0.00 0.32 4.33 -0.00 -1.30 0.88 116.94 121.11 1rjv h PHE 103 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.95 1rjv h PHE 103 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.00 1rjv h PHE 103 CO -0.22 0.02 -0.15 1.03 -0.00 0.00 0.00 178.31 178.98 1rjv h SER 104 N 0.00 -0.36 0.42 -0.68 0.87 -1.56 -3.29 113.55 108.95 1rjv h SER 104 Ca -0.00 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1rjv h SER 104 Cb 0.37 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1rjv h SER 104 CO 0.00 -0.11 -0.28 0.71 -0.53 0.00 0.00 176.83 176.62 1rjv h THR 105 N -0.73 1.01 -0.97 2.23 1.35 -0.77 -0.95 112.91 114.09 1rjv h THR 105 Ca -0.04 -1.04 0.26 0.00 -0.55 0.00 0.00 66.41 65.04 1rjv h THR 105 Cb 0.33 1.59 -0.13 0.00 -1.73 0.00 0.00 68.15 68.20 1rjv h THR 105 CO 0.07 0.28 0.52 0.25 -0.25 0.00 0.00 175.52 176.39 1rjv h LEU 106 N 0.00 0.52 -0.37 3.87 7.12 -0.99 -2.08 115.31 123.38 1rjv h LEU 106 Ca -0.00 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1rjv h LEU 106 Cb 0.57 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.79 1rjv h LEU 106 CO 0.04 0.00 -0.04 -0.37 -0.13 0.00 0.00 178.44 177.94 1rjv h VAL 107 N 0.45 0.07 -0.22 1.05 -1.51 -1.23 -0.22 116.25 114.64 1rjv h VAL 107 Ca 0.64 -0.96 -0.19 0.00 -1.23 0.00 0.00 66.70 64.96 1rjv h VAL 107 Cb 1.30 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 1rjv h VAL 107 CO -0.53 0.04 -0.62 0.00 -1.23 0.00 0.00 177.57 175.22 1rjv h ALA 108 N 1.96 0.48 0.00 5.19 0.00 -1.47 -2.12 119.26 123.31 1rjv h ALA 108 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1rjv h ALA 108 Cb 0.90 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1rjv h ALA 108 CO 0.00 0.69 -0.10 0.93 0.00 0.00 0.00 179.25 180.77 1rjv h GLU 109 N 0.57 0.00 0.00 0.00 4.39 -1.17 -3.53 114.58 114.84 1rjv h GLU 109 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1rjv h GLU 109 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1rjv h GLU 109 CO 0.13 0.10 0.00 -1.13 -1.16 0.00 0.00 179.01 176.95