#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 -2.79 -0.37 6.12 7.64 -1.26 -4.83 113.62 118.13 1rjv n SER 2 Ca 0.00 -0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.82 1rjv n SER 2 Cb 0.00 -1.37 0.16 0.00 -1.01 0.00 0.00 64.21 61.99 1rjv n SER 2 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1rjv h MET 3 N -0.10 1.18 -1.18 1.43 -1.53 -1.87 -0.67 114.93 112.19 1rjv h MET 3 Ca -0.07 -0.07 0.34 0.00 -3.44 0.00 0.00 59.70 56.46 1rjv h MET 3 Cb 1.03 -0.27 -0.09 0.00 -0.55 0.00 0.00 31.60 31.73 1rjv h MET 3 CO 0.06 0.78 0.78 1.15 0.14 0.00 0.00 176.91 179.83 1rjv h THR 4 N 1.21 0.37 0.01 -0.77 2.02 -1.87 0.11 112.91 114.00 1rjv h THR 4 Ca 0.42 -0.07 -0.39 0.00 0.77 0.00 0.00 66.41 67.14 1rjv h THR 4 Cb 0.11 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.59 1rjv h THR 4 CO -0.16 0.04 -2.43 -0.67 0.37 0.00 0.00 175.52 172.67 1rjv n ASP 5 N -4.53 1.99 0.03 4.18 2.03 -0.34 -2.96 116.55 116.95 1rjv n ASP 5 Ca 0.29 -0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.38 1rjv n ASP 5 Cb 1.14 -0.46 -0.09 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.01 -0.09 0.00 -2.67 3.38 -1.20 -3.43 115.31 111.29 1rjv h LEU 6 Ca -0.57 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1rjv h LEU 6 Cb 1.91 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.68 1rjv h LEU 6 CO -0.08 0.36 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1rjv n LEU 7 N -4.93 0.00 -3.59 1.67 4.77 0.01 -4.97 117.00 109.97 1rjv n LEU 7 Ca -0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.79 1rjv n LEU 7 Cb 0.25 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1rjv n LEU 7 CO 0.32 0.00 0.74 0.20 -1.33 0.00 0.00 177.39 177.31 1rjv s ASN 8 N -1.00 -0.41 0.29 -1.43 0.01 -1.23 -4.94 114.94 106.23 1rjv s ASN 8 Ca 0.00 0.54 0.04 0.00 -0.71 0.00 0.00 52.86 52.73 1rjv s ASN 8 Cb 0.00 0.46 0.69 0.00 0.41 0.00 0.00 41.25 42.81 1rjv s ASN 8 CO 0.00 -0.32 1.76 0.00 -1.51 0.00 0.00 177.10 177.03 1rjv h ALA 9 N 2.98 1.56 -0.28 0.60 0.00 -1.82 0.14 119.26 122.44 1rjv h ALA 9 Ca -0.21 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rjv h ALA 9 Cb 1.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1rjv h ALA 9 CO 0.27 -0.09 0.14 1.05 0.00 0.00 0.00 179.25 180.62 1rjv h GLU 10 N 0.69 0.37 0.06 0.00 4.11 -1.96 -1.68 114.58 116.17 1rjv h GLU 10 Ca 0.55 -0.03 -0.36 0.00 0.07 0.00 0.00 59.36 59.59 1rjv h GLU 10 Cb 0.86 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1rjv h GLU 10 CO -0.39 0.28 -2.12 -0.40 0.07 0.00 0.00 179.01 176.45 1rjv n ASP 11 N -4.46 1.71 -0.28 3.06 5.68 -0.57 -3.74 116.55 117.96 1rjv n ASP 11 Ca 0.01 0.13 0.08 0.00 -0.50 0.00 0.00 54.79 54.51 1rjv n ASP 11 Cb 0.10 -0.46 0.23 0.00 -1.14 0.00 0.00 41.12 39.85 1rjv n ASP 11 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1rjv h ILE 12 N 0.04 0.61 -0.38 2.12 5.03 -1.03 -0.17 117.51 123.73 1rjv h ILE 12 Ca -0.46 -0.16 0.05 0.00 -0.12 0.00 0.00 64.86 64.17 1rjv h ILE 12 Cb 2.01 0.10 -0.04 0.00 -3.03 0.00 0.00 36.82 35.87 1rjv h ILE 12 CO 0.03 0.09 0.13 0.07 -0.68 0.00 0.00 178.15 177.79 1rjv h LYS 13 N 0.47 0.28 -0.46 2.37 2.10 -1.40 -0.15 116.57 119.78 1rjv h LYS 13 Ca 0.47 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.99 1rjv h LYS 13 Cb 0.76 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.01 1rjv h LYS 13 CO -0.44 0.18 -0.16 0.87 -2.00 0.00 0.00 179.45 177.90 1rjv h LYS 14 N 0.29 0.89 0.23 0.07 1.57 -1.52 -3.08 116.57 115.03 1rjv h LYS 14 Ca 0.17 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1rjv h LYS 14 Cb 0.15 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1rjv h LYS 14 CO -0.18 0.99 -0.11 0.00 -0.57 0.00 0.00 179.45 179.58 1rjv h ALA 15 N 1.02 -0.31 -0.91 3.86 0.00 -0.45 -1.94 119.26 120.52 1rjv h ALA 15 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1rjv h ALA 15 Cb 0.70 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 1rjv h ALA 15 CO 0.05 -0.57 0.59 0.28 0.00 0.00 0.00 179.25 179.61 1rjv h VAL 16 N -0.53 1.09 0.00 0.00 2.07 -1.15 0.82 116.25 118.55 1rjv h VAL 16 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1rjv h VAL 16 Cb 0.39 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1rjv h VAL 16 CO 0.05 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1rjv n GLY 17 N -1.39 -0.89 0.13 2.17 0.00 -1.11 -1.09 105.19 103.01 1rjv n GLY 17 Ca 0.13 0.00 -0.18 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 h ALA 18 N 2.29 0.47 0.00 4.61 0.00 -0.03 -3.39 119.26 123.21 1rjv h ALA 18 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1rjv h ALA 18 Cb 0.18 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1rjv h ALA 18 CO 0.00 1.33 -1.12 1.19 0.00 0.00 0.00 179.25 180.65 1rjv n PHE 19 N -3.40 0.25 -1.03 0.00 3.72 -1.13 -4.57 117.46 111.30 1rjv n PHE 19 Ca -0.27 0.07 -0.36 0.00 -0.05 0.00 0.00 57.45 56.85 1rjv n PHE 19 Cb 1.05 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.99 3.46 -1.94 4.37 2.88 -0.25 -4.22 113.62 115.94 1rjv n SER 20 Ca 0.01 -2.56 -0.01 0.00 -1.33 0.00 0.00 58.87 54.98 1rjv n SER 20 Cb 0.45 -1.13 0.03 0.00 -0.75 0.00 0.00 64.21 62.80 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 6.22 2.94 -0.25 -1.46 0.00 -1.26 -4.97 120.51 121.73 1rjv n ALA 21 Ca 0.48 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1rjv n ALA 21 Cb 0.30 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.38 0.00 -0.07 0.00 -2.24 -1.26 -0.86 114.28 109.47 1rjv n THR 22 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1rjv n THR 22 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1rjv n THR 22 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rjv n ASP 23 N 0.25 0.16 -3.61 3.42 9.92 -1.26 -1.26 116.55 124.18 1rjv n ASP 23 Ca 0.00 -0.50 -0.41 0.00 -0.53 0.00 0.00 54.79 53.35 1rjv n ASP 23 Cb 0.00 0.53 -0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1rjv n SER 24 N -0.53 6.99 -4.70 -2.24 2.88 -0.04 -4.47 113.62 111.51 1rjv n SER 24 Ca 0.00 -3.09 -0.42 0.00 -1.33 0.00 0.00 58.87 54.03 1rjv n SER 24 Cb 0.02 -1.42 -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 -0.34 3.29 -0.47 0.66 5.36 -1.26 -4.83 117.98 120.39 1rjv s PHE 25 Ca 0.50 1.20 0.04 0.00 -0.96 0.00 0.00 56.93 57.70 1rjv s PHE 25 Cb 0.15 -3.46 0.16 0.00 -0.34 0.00 0.00 43.02 39.53 1rjv s PHE 25 CO -0.06 -1.49 0.35 0.34 -1.46 0.00 0.00 175.22 172.90 1rjv s ASP 26 N 1.28 2.52 0.32 6.13 -1.08 -1.26 -4.98 116.67 119.59 1rjv s ASP 26 Ca 0.59 -3.08 -0.00 0.00 -0.52 0.00 0.00 52.55 49.54 1rjv s ASP 26 Cb -0.29 -0.74 0.51 0.00 -1.46 0.00 0.00 42.92 40.95 1rjv s ASP 26 CO 0.27 -0.18 1.96 1.12 0.52 0.00 0.00 175.17 178.86 1rjv h HIS 27 N 5.86 0.91 -0.16 -5.34 -0.00 -1.95 0.11 115.15 114.58 1rjv h HIS 27 Ca 0.19 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.61 1rjv h HIS 27 Cb 0.89 -0.30 -0.06 0.00 -0.00 0.00 0.00 27.41 27.94 1rjv h HIS 27 CO 0.39 0.61 -0.20 0.87 -0.00 0.00 0.00 177.93 179.60 1rjv h LYS 28 N 0.95 -0.23 -0.19 5.12 6.56 -1.90 0.45 116.57 127.33 1rjv h LYS 28 Ca 0.25 0.02 -0.12 0.00 -1.06 0.00 0.00 60.65 59.73 1rjv h LYS 28 Cb -0.03 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.68 1rjv h LYS 28 CO -0.05 -0.15 -0.35 -0.22 -2.06 0.00 0.00 179.45 176.62 1rjv h LYS 29 N -0.24 0.57 -0.23 3.15 3.64 -1.80 -3.03 116.57 118.62 1rjv h LYS 29 Ca 0.11 -0.36 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1rjv h LYS 29 Cb 0.40 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.20 1rjv h LYS 29 CO -0.30 0.97 -0.21 0.35 -2.27 0.00 0.00 179.45 178.00 1rjv h PHE 30 N 0.23 -0.54 0.00 1.91 3.04 -0.62 0.17 116.94 121.13 1rjv h PHE 30 Ca 0.01 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 1rjv h PHE 30 Cb 0.95 0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.73 1rjv h PHE 30 CO 0.09 -0.28 -0.14 0.74 -2.02 0.00 0.00 178.31 176.70 1rjv h PHE 31 N -0.21 0.00 0.03 0.41 -1.00 -0.96 0.19 116.94 115.40 1rjv h PHE 31 Ca 0.13 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1rjv h PHE 31 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1rjv h PHE 31 CO -0.36 0.14 -0.02 1.96 -1.61 0.00 0.00 178.31 178.42 1rjv h GLN 32 N 0.00 -0.04 -0.77 1.51 4.20 -1.29 0.80 115.11 119.51 1rjv h GLN 32 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1rjv h GLN 32 Cb 0.29 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1rjv h GLN 32 CO 0.02 0.58 0.29 0.52 -0.67 0.00 0.00 178.83 179.57 1rjv h MET 33 N -0.72 1.16 0.00 1.46 2.86 -0.02 -0.56 114.93 119.11 1rjv h MET 33 Ca -0.00 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1rjv h MET 33 Cb 0.64 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1rjv h MET 33 CO 0.01 0.95 0.00 1.55 1.06 0.00 0.00 176.91 180.48 1rjv n VAL 34 N -4.29 0.12 -2.17 -2.22 3.14 0.62 -4.43 118.33 109.09 1rjv n VAL 34 Ca 0.07 0.03 -0.21 0.00 -2.96 0.00 0.00 64.34 61.27 1rjv n VAL 34 Cb 0.19 -0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 32.37 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 1.13 0.21 0.44 7.55 0.00 -0.22 -4.68 105.19 109.62 1rjv n GLY 35 Ca 0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.33 -1.93 0.99 3.38 -1.10 0.06 115.31 115.38 1rjv h LEU 36 Ca -0.48 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1rjv h LEU 36 Cb 1.37 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1rjv h LEU 36 CO 0.60 -0.53 0.32 0.11 0.09 0.00 0.00 178.44 179.02 1rjv h LYS 37 N -0.74 0.00 0.00 1.13 1.57 -1.90 -1.10 116.57 115.54 1rjv h LYS 37 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1rjv h LYS 37 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1rjv h LYS 37 CO -0.22 0.00 -0.78 1.57 -0.57 0.00 0.00 179.45 179.45 1rjv h LYS 38 N 0.00 0.00 -7.19 3.15 2.10 -1.28 -3.48 116.57 109.87 1rjv h LYS 38 Ca 0.00 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.19 1rjv h LYS 38 Cb 0.64 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.06 1rjv h LYS 38 CO 0.00 0.03 0.14 0.21 -2.00 0.00 0.00 179.45 177.83 1rjv s LYS 39 N -3.29 1.67 0.87 0.07 2.47 -0.42 -5.10 119.74 116.01 1rjv s LYS 39 Ca 0.01 -0.92 -0.12 0.00 -1.56 0.00 0.00 55.97 53.39 1rjv s LYS 39 Cb 0.08 -2.27 0.11 0.00 -1.46 0.00 0.00 37.83 34.30 1rjv s LYS 39 CO 0.76 -1.49 1.10 0.45 0.16 0.00 0.00 175.35 176.33 1rjv s SER 40 N -4.71 3.81 0.18 1.43 0.15 -1.26 -4.83 113.70 108.47 1rjv s SER 40 Ca 0.66 1.39 -0.13 0.00 0.70 0.00 0.00 55.95 58.57 1rjv s SER 40 Cb -0.06 -2.08 0.15 0.00 -1.71 0.00 0.00 66.02 62.32 1rjv s SER 40 CO 0.45 -2.41 1.77 0.00 1.20 0.00 0.00 173.24 174.25 1rjv h ALA 41 N -1.40 0.65 -0.49 5.45 0.00 -1.98 0.46 119.26 121.94 1rjv h ALA 41 Ca -0.49 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1rjv h ALA 41 Cb 1.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1rjv h ALA 41 CO 0.57 -0.13 0.02 0.22 0.00 0.00 0.00 179.25 179.93 1rjv h ASP 42 N 0.46 0.77 0.68 0.00 1.82 -1.99 0.12 116.42 118.27 1rjv h ASP 42 Ca 0.23 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1rjv h ASP 42 Cb 0.18 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 39.99 1rjv h ASP 42 CO -0.19 0.82 -0.32 0.44 -1.61 0.00 0.00 179.24 178.38 1rjv h ASP 43 N 0.75 -0.77 -0.77 2.28 3.32 -1.84 -1.17 116.42 118.23 1rjv h ASP 43 Ca 0.15 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.32 1rjv h ASP 43 Cb 0.43 0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1rjv h ASP 43 CO 0.02 -0.51 0.50 0.58 -1.72 0.00 0.00 179.24 178.11 1rjv h VAL 44 N -0.97 0.89 0.63 -1.35 2.07 -0.70 0.26 116.25 117.09 1rjv h VAL 44 Ca -0.09 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1rjv h VAL 44 Cb 0.71 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1rjv h VAL 44 CO 0.15 0.11 -0.47 0.50 0.02 0.00 0.00 177.57 177.88 1rjv h LYS 45 N 0.61 -1.03 0.00 1.57 1.63 -0.89 -0.79 116.57 117.67 1rjv h LYS 45 Ca 0.36 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.22 1rjv h LYS 45 Cb 0.58 0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1rjv h LYS 45 CO -0.13 -0.69 -0.04 0.87 -3.45 0.00 0.00 179.45 176.01 1rjv h LYS 46 N -1.07 0.00 0.48 1.90 6.56 0.27 -0.48 116.57 124.24 1rjv h LYS 46 Ca -0.08 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.49 1rjv h LYS 46 Cb 0.89 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 1rjv h LYS 46 CO 0.03 0.04 -0.23 0.28 -2.06 0.00 0.00 179.45 177.51 1rjv h VAL 47 N 0.00 0.00 -0.78 0.50 2.07 -0.46 -0.44 116.25 117.14 1rjv h VAL 47 Ca -0.00 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1rjv h VAL 47 Cb 0.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1rjv h VAL 47 CO 0.01 0.00 0.28 0.15 0.02 0.00 0.00 177.57 178.03 1rjv h PHE 48 N -0.86 0.47 0.00 1.57 3.57 -0.77 -0.70 116.94 120.22 1rjv h PHE 48 Ca -0.07 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1rjv h PHE 48 Cb 0.49 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1rjv h PHE 48 CO 0.05 -0.00 0.00 1.58 -2.23 0.00 0.00 178.31 177.70 1rjv n HIS 49 N -5.06 0.00 -0.03 0.41 -0.00 -0.22 -2.24 115.22 108.08 1rjv n HIS 49 Ca 0.16 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 1rjv n HIS 49 Cb 0.48 -0.30 -0.14 0.00 -0.12 0.00 0.00 29.99 29.91 1rjv n HIS 49 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1rjv n MET 50 N -1.30 0.70 0.10 1.57 1.56 -0.27 -4.26 117.12 115.21 1rjv n MET 50 Ca 0.05 0.23 -0.01 0.00 -0.27 0.00 0.00 57.70 57.70 1rjv n MET 50 Cb 0.09 -1.68 0.26 0.00 2.15 0.00 0.00 33.22 34.04 1rjv n MET 50 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1rjv h LEU 51 N 0.03 0.26 -8.67 -0.89 -0.00 -1.46 -3.39 115.31 101.18 1rjv h LEU 51 Ca -0.42 -0.09 -0.66 0.00 -0.00 0.00 0.00 57.88 56.70 1rjv h LEU 51 Cb 2.03 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 42.61 1rjv h LEU 51 CO 0.05 0.58 1.38 -0.67 -0.00 0.00 0.00 178.44 179.78 1rjv n ASP 52 N -4.09 2.36 -0.85 -0.43 -0.08 -1.17 -4.76 116.55 107.54 1rjv n ASP 52 Ca -0.01 0.47 0.07 0.00 -1.51 0.00 0.00 54.79 53.81 1rjv n ASP 52 Cb 0.42 -1.29 0.20 0.00 2.34 0.00 0.00 41.12 42.78 1rjv n ASP 52 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1rjv n LYS 53 N 7.99 2.74 0.00 -0.67 3.00 -1.26 -4.50 118.16 125.46 1rjv n LYS 53 Ca 0.38 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 56.49 1rjv n LYS 53 Cb 0.25 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1rjv n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1rjv n ASP 54 N 0.87 3.59 0.00 3.14 5.75 -1.26 -5.06 116.55 123.57 1rjv n ASP 54 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1rjv n ASP 54 Cb 0.48 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 -1.74 0.00 0.19 0.11 3.00 -1.26 -5.04 118.16 113.42 1rjv n LYS 55 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1rjv n LYS 55 Cb 0.37 0.00 0.60 0.00 0.00 0.00 0.00 35.03 36.01 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 -1.97 -3.46 113.55 115.90 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 -0.21 0.56 3.19 -0.77 0.00 -1.26 -5.05 105.19 101.65 1rjv n GLY 57 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.09 -0.12 1.61 0.08 -1.26 -4.84 117.98 112.53 1rjv s PHE 58 Ca 0.00 -0.70 0.03 0.00 0.12 0.00 0.00 56.93 56.38 1rjv s PHE 58 Cb 0.00 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1rjv s PHE 58 CO 0.00 0.00 -0.22 0.42 -0.10 0.00 0.00 175.22 175.32 1rjv s ILE 59 N -2.74 2.10 0.17 0.64 1.01 -1.06 -4.78 121.20 116.53 1rjv s ILE 59 Ca 0.08 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.81 1rjv s ILE 59 Cb -0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1rjv s ILE 59 CO -0.00 0.55 -0.13 -1.61 0.00 0.00 0.00 174.94 173.75 1rjv s GLU 60 N 0.61 1.18 0.59 2.79 8.01 -1.26 -2.17 118.70 128.45 1rjv s GLU 60 Ca -0.12 -1.48 0.29 0.00 0.01 0.00 0.00 54.97 53.67 1rjv s GLU 60 Cb -0.17 -0.91 1.74 0.00 -4.31 0.00 0.00 34.13 30.49 1rjv s GLU 60 CO 0.03 0.15 2.18 1.05 0.01 0.00 0.00 175.26 178.68 1rjv h GLU 61 N 2.82 0.00 0.71 1.61 -0.00 -1.97 -0.96 114.58 116.79 1rjv h GLU 61 Ca -0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 58.95 1rjv h GLU 61 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.95 1rjv h GLU 61 CO 0.60 0.00 -0.50 -0.44 -0.00 0.00 0.00 179.01 178.67 1rjv h ASP 62 N 0.00 -1.29 0.73 3.06 5.19 -2.02 -3.09 116.42 119.00 1rjv h ASP 62 Ca 0.04 0.08 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 1rjv h ASP 62 Cb 0.22 0.39 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1rjv h ASP 62 CO -0.00 -0.73 -0.36 -0.33 -3.12 0.00 0.00 179.24 174.70 1rjv h GLU 63 N -1.15 0.00 -0.01 3.56 5.08 -1.77 -3.22 114.58 117.07 1rjv h GLU 63 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1rjv h GLU 63 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1rjv h GLU 63 CO 0.05 0.36 0.04 1.25 -1.00 0.00 0.00 179.01 179.71 1rjv h LEU 64 N 0.00 0.00 -0.48 1.33 6.46 -1.12 -2.45 115.31 119.06 1rjv h LEU 64 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1rjv h LEU 64 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1rjv h LEU 64 CO 0.05 0.00 0.00 0.61 -0.62 0.00 0.00 178.44 178.48 1rjv n GLY 65 N -1.14 -1.17 2.69 3.75 0.00 -1.22 -4.08 105.19 104.02 1rjv n GLY 65 Ca -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.99 -1.77 -0.32 1.61 -1.74 -0.93 -0.89 117.46 111.43 1rjv n PHE 66 Ca 0.02 -1.84 0.14 0.00 -0.56 0.00 0.00 57.45 55.21 1rjv n PHE 66 Cb 0.21 1.35 0.37 0.00 1.52 0.00 0.00 39.48 42.93 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 3.61 0.73 -0.24 1.97 -0.00 -1.69 -0.82 117.51 121.08 1rjv h ILE 67 Ca -0.37 -0.24 0.07 0.00 -0.00 0.00 0.00 64.86 64.32 1rjv h ILE 67 Cb 1.29 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.82 38.08 1rjv h ILE 67 CO -0.10 0.13 0.29 -0.07 -0.00 0.00 0.00 178.15 178.39 1rjv h LEU 68 N 0.69 0.00 -0.17 0.16 3.38 -1.89 -0.98 115.31 116.49 1rjv h LEU 68 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1rjv h LEU 68 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rjv h LEU 68 CO -0.30 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.40 1rjv n LYS 69 N -3.65 0.03 0.09 1.13 0.00 -0.31 -0.42 118.16 115.03 1rjv n LYS 69 Ca 0.03 0.37 0.11 0.00 0.00 0.00 0.00 58.31 58.82 1rjv n LYS 69 Cb 0.42 -1.57 -0.01 0.00 0.00 0.00 0.00 35.03 33.87 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 -0.52 -1.40 0.09 3.14 0.00 -0.37 -4.33 105.19 101.79 1rjv n GLY 70 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.07 -1.53 1.61 0.04 -0.85 -3.41 116.94 112.73 1rjv h PHE 71 Ca 0.00 -0.00 0.24 0.00 2.80 0.00 0.00 57.97 61.01 1rjv h PHE 71 Cb 0.97 0.02 -0.19 0.00 2.20 0.00 0.00 35.95 38.96 1rjv h PHE 71 CO 0.00 0.50 0.79 0.45 -0.60 0.00 0.00 178.31 179.44 1rjv s SER 72 N -5.79 -0.16 1.06 2.17 0.15 -0.30 -4.70 113.70 106.14 1rjv s SER 72 Ca -0.13 0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 1rjv s SER 72 Cb -0.01 0.16 0.23 0.00 -1.71 0.00 0.00 66.02 64.69 1rjv s SER 72 CO 0.47 -0.26 1.06 -2.16 1.20 0.00 0.00 173.24 173.56 1rjv s PRO 73 N -2.43 -0.12 -1.46 5.44 0.04 -1.26 -3.55 135.00 131.66 1rjv s PRO 73 Ca 0.09 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1rjv s PRO 73 Cb -0.01 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1rjv s PRO 73 CO -0.05 -3.21 0.00 -3.47 0.04 0.00 0.00 177.00 170.31 1rjv n ASP 74 N -4.56 -4.39 -0.27 6.66 2.03 -1.26 -4.92 116.55 109.84 1rjv n ASP 74 Ca 0.05 0.23 0.08 0.00 0.52 0.00 0.00 54.79 55.67 1rjv n ASP 74 Cb 0.54 -3.83 0.21 0.00 -0.72 0.00 0.00 41.12 37.32 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 0.80 1.00 -3.10 -1.67 0.00 -1.84 -3.48 119.26 110.96 1rjv h ALA 75 Ca -0.35 0.21 0.36 0.00 0.00 0.00 0.00 54.91 55.13 1rjv h ALA 75 Cb 1.16 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 1rjv h ALA 75 CO 0.45 -0.40 -0.71 0.54 0.00 0.00 0.00 179.25 179.12 1rjv n ARG 76 N -5.24 -2.86 -2.84 0.00 1.74 -1.26 -4.79 116.66 101.41 1rjv n ARG 76 Ca 0.16 2.04 -0.42 0.00 -0.77 0.00 0.00 57.85 58.86 1rjv n ARG 76 Cb 0.53 -3.43 -0.04 0.00 -1.02 0.00 0.00 32.46 28.50 1rjv n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1rjv s ASP 77 N -6.99 6.87 0.52 0.55 1.01 -1.26 -4.58 116.67 112.79 1rjv s ASP 77 Ca 0.00 1.08 -0.20 0.00 0.71 0.00 0.00 52.55 54.13 1rjv s ASP 77 Cb 0.00 -2.46 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 1rjv s ASP 77 CO 0.00 -0.56 1.12 -0.76 0.21 0.00 0.00 175.17 175.18 1rjv s LEU 78 N 2.94 3.81 0.69 1.23 1.43 -0.07 -5.00 118.68 123.72 1rjv s LEU 78 Ca 0.37 2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 55.46 1rjv s LEU 78 Cb -0.15 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.57 1rjv s LEU 78 CO 0.08 -1.10 1.27 -1.20 0.23 0.00 0.00 176.35 175.63 1rjv n SER 79 N -1.10 1.81 -0.20 2.29 7.64 -0.39 -4.78 113.62 118.90 1rjv n SER 79 Ca 0.10 0.77 0.09 0.00 1.01 0.00 0.00 58.87 60.85 1rjv n SER 79 Cb 0.51 -1.54 0.38 0.00 -1.01 0.00 0.00 64.21 62.54 1rjv n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv h ALA 80 N 0.17 1.80 -0.48 -0.43 0.00 -1.95 0.11 119.26 118.47 1rjv h ALA 80 Ca -0.50 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 1rjv h ALA 80 Cb 1.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1rjv h ALA 80 CO 0.51 0.04 -0.15 0.87 0.00 0.00 0.00 179.25 180.53 1rjv h LYS 81 N 0.68 0.93 0.91 0.00 1.79 -1.93 -1.41 116.57 117.54 1rjv h LYS 81 Ca 0.35 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1rjv h LYS 81 Cb 0.46 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1rjv h LYS 81 CO -0.13 1.01 -0.48 1.49 -1.08 0.00 0.00 179.45 180.25 1rjv h GLU 82 N 0.82 -1.23 -0.88 3.15 4.81 -1.34 -1.67 114.58 118.24 1rjv h GLU 82 Ca 0.12 0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.64 1rjv h GLU 82 Cb 0.69 0.28 -0.16 0.00 0.63 0.00 0.00 28.75 30.19 1rjv h GLU 82 CO 0.05 -0.82 -0.09 1.15 -0.73 0.00 0.00 179.01 178.57 1rjv h THR 83 N -1.28 0.15 0.10 0.32 2.02 -0.81 0.44 112.91 113.85 1rjv h THR 83 Ca -0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1rjv h THR 83 Cb 1.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1rjv h THR 83 CO 0.18 0.01 -0.05 0.50 0.37 0.00 0.00 175.52 176.53 1rjv h LYS 84 N 0.03 -0.13 -0.19 6.66 3.64 -1.15 -1.00 116.57 124.43 1rjv h LYS 84 Ca 0.47 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.68 1rjv h LYS 84 Cb 0.82 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1rjv h LYS 84 CO -0.85 -0.02 -0.59 1.98 -2.27 0.00 0.00 179.45 177.70 1rjv h MET 85 N -0.20 0.60 0.60 1.90 4.05 -0.23 -2.88 114.93 118.77 1rjv h MET 85 Ca -0.01 -0.40 -0.02 0.00 -0.28 0.00 0.00 59.70 58.98 1rjv h MET 85 Cb 0.16 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1rjv h MET 85 CO 0.02 1.01 -0.36 1.25 0.23 0.00 0.00 176.91 179.07 1rjv h LEU 86 N 0.45 -0.90 -0.73 3.39 6.46 -0.18 0.58 115.31 124.39 1rjv h LEU 86 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1rjv h LEU 86 Cb 1.15 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 41.30 1rjv h LEU 86 CO 0.11 -0.57 0.47 0.00 -0.62 0.00 0.00 178.44 177.84 1rjv h MET 87 N -0.90 0.97 -0.46 1.25 -0.00 -1.26 0.25 114.93 114.77 1rjv h MET 87 Ca -0.07 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.70 59.48 1rjv h MET 87 Cb 0.73 -0.21 -0.02 0.00 -0.00 0.00 0.00 31.60 32.10 1rjv h MET 87 CO 0.08 0.65 -0.01 0.00 -0.00 0.00 0.00 176.91 177.63 1rjv h ALA 88 N 1.26 0.63 0.09 -3.00 0.00 -1.39 -1.96 119.26 114.89 1rjv h ALA 88 Ca 0.27 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1rjv h ALA 88 Cb -0.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1rjv h ALA 88 CO -0.06 0.44 -1.16 0.00 0.00 0.00 0.00 179.25 178.47 1rjv h ALA 89 N 0.91 0.14 0.59 0.00 0.00 -0.83 -3.40 119.26 116.67 1rjv h ALA 89 Ca 0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1rjv h ALA 89 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1rjv h ALA 89 CO 0.03 0.82 -0.34 0.78 0.00 0.00 0.00 179.25 180.54 1rjv h GLY 90 N 1.02 -1.00 -7.41 0.00 0.00 -0.41 -3.30 103.07 91.97 1rjv h GLY 90 Ca -0.14 0.40 -0.37 0.00 0.00 0.00 0.00 47.33 47.21 1rjv h GLY 90 CO 0.21 -0.35 1.12 -0.35 0.00 0.00 0.00 176.54 177.17 1rjv s ASP 91 N -3.44 5.35 0.22 0.19 2.15 -0.74 -4.66 116.67 115.74 1rjv s ASP 91 Ca -0.13 -1.45 0.18 0.00 0.43 0.00 0.00 52.55 51.58 1rjv s ASP 91 Cb 0.02 -2.58 0.88 0.00 -0.30 0.00 0.00 42.92 40.94 1rjv s ASP 91 CO 0.41 -2.68 1.56 0.29 -0.17 0.00 0.00 175.17 174.57 1rjv n LYS 92 N 8.50 0.12 -0.02 4.34 4.76 -1.25 -3.88 118.16 130.74 1rjv n LYS 92 Ca 0.43 0.51 -0.11 0.00 -2.87 0.00 0.00 58.31 56.28 1rjv n LYS 92 Cb 0.47 -1.82 -0.14 0.00 -1.84 0.00 0.00 35.03 31.70 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1rjv n ASP 93 N -2.06 1.06 0.00 4.39 2.03 -1.26 -5.01 116.55 115.70 1rjv n ASP 93 Ca 0.00 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1rjv n ASP 93 Cb 0.10 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1rjv n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rjv n GLY 94 N 1.62 1.06 0.11 0.27 0.00 -1.25 -5.00 105.19 102.00 1rjv n GLY 94 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.13 1.61 3.32 -1.95 -3.48 116.42 115.80 1rjv h ASP 95 Ca 0.00 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1rjv h ASP 95 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1rjv h ASP 95 CO 0.00 0.05 -0.05 0.61 -1.72 0.00 0.00 179.24 178.13 1rjv n GLY 96 N 1.26 0.43 3.15 2.75 0.00 -1.26 -5.03 105.19 106.49 1rjv n GLY 96 Ca 0.03 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.62 1.73 0.08 1.61 1.02 -1.26 -4.81 119.74 116.50 1rjv s LYS 97 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.06 1rjv s LYS 97 Cb 0.00 -1.53 -0.06 0.00 -0.52 0.00 0.00 37.83 35.71 1rjv s LYS 97 CO 0.00 0.28 1.25 0.42 -0.92 0.00 0.00 175.35 176.38 1rjv s ILE 98 N -0.07 3.82 0.21 2.17 1.01 -0.92 -4.65 121.20 122.76 1rjv s ILE 98 Ca -0.01 1.32 0.10 0.00 0.00 0.00 0.00 60.65 62.05 1rjv s ILE 98 Cb -0.11 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1rjv s ILE 98 CO 0.02 0.11 -0.15 -0.83 0.00 0.00 0.00 174.94 174.09 1rjv s GLY 99 N 1.03 1.74 0.18 6.18 0.00 -1.26 -2.57 107.32 112.61 1rjv s GLY 99 Ca 0.60 -1.60 -0.17 0.00 0.00 0.00 0.00 44.72 43.55 1rjv s GLY 99 CO 0.30 -1.64 1.64 -0.24 0.00 0.00 0.00 173.10 173.16 1rjv h VAL 100 N 2.74 0.44 -0.76 1.40 3.04 -1.93 -0.94 116.25 120.24 1rjv h VAL 100 Ca -0.45 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 1rjv h VAL 100 Cb 1.22 0.44 -0.03 0.00 -2.01 0.00 0.00 31.29 30.91 1rjv h VAL 100 CO 0.54 0.00 0.33 -0.78 -1.01 0.00 0.00 177.57 176.65 1rjv h ASP 101 N -0.07 1.03 0.89 3.17 1.82 -1.98 0.73 116.42 122.01 1rjv h ASP 101 Ca 0.22 -0.16 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1rjv h ASP 101 Cb 0.41 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 40.16 1rjv h ASP 101 CO -0.51 0.90 -0.43 -0.33 -1.61 0.00 0.00 179.24 177.27 1rjv h GLU 102 N 1.09 -1.15 -0.55 0.28 5.08 -1.91 -3.27 114.58 114.15 1rjv h GLU 102 Ca 0.26 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.73 1rjv h GLU 102 Cb 0.17 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1rjv h GLU 102 CO -0.03 -0.77 0.36 0.35 -1.00 0.00 0.00 179.01 177.93 1rjv h PHE 103 N -1.22 0.59 -0.64 4.33 3.57 -0.56 0.29 116.94 123.30 1rjv h PHE 103 Ca -0.12 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.53 1rjv h PHE 103 Cb 0.92 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1rjv h PHE 103 CO 0.02 0.34 0.44 0.77 -2.23 0.00 0.00 178.31 177.66 1rjv h SER 104 N 0.61 0.24 0.00 0.41 0.02 -0.95 -3.32 113.55 110.56 1rjv h SER 104 Ca 0.22 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1rjv h SER 104 Cb 0.13 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1rjv h SER 104 CO -0.06 0.13 -0.88 0.35 -1.14 0.00 0.00 176.83 175.23 1rjv n THR 105 N -4.44 0.00 -0.33 -2.27 -2.24 0.19 -4.28 114.28 100.91 1rjv n THR 105 Ca 0.12 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.11 1rjv n THR 105 Cb 0.53 -0.27 0.42 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.01 0.00 3.22 6.46 -0.66 0.40 115.31 124.71 1rjv h LEU 106 Ca 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1rjv h LEU 106 Cb 0.47 0.34 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1rjv h LEU 106 CO 0.00 -0.33 -0.53 1.33 -0.62 0.00 0.00 178.44 178.29 1rjv n VAL 107 N -5.32 0.10 0.01 1.05 0.24 -1.25 -3.29 118.33 109.88 1rjv n VAL 107 Ca 0.29 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.34 62.41 1rjv n VAL 107 Cb 0.96 0.10 -0.14 0.00 -1.47 0.00 0.00 33.84 33.30 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 2.85 0.62 -1.00 2.33 0.00 -1.24 -2.92 119.26 119.90 1rjv h ALA 108 Ca 0.00 -1.31 0.21 0.00 0.00 0.00 0.00 54.91 53.82 1rjv h ALA 108 Cb 0.58 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 1rjv h ALA 108 CO 0.00 1.46 0.61 0.93 0.00 0.00 0.00 179.25 182.25 1rjv h GLU 109 N 0.01 0.64 0.00 0.00 4.39 -1.08 -3.51 114.58 115.02 1rjv h GLU 109 Ca -0.23 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1rjv h GLU 109 Cb 1.96 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1rjv h GLU 109 CO 0.10 0.43 0.00 -1.13 -1.16 0.00 0.00 179.01 177.24