#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 -1.01 -0.31 6.12 7.64 -1.26 -4.91 113.62 119.89 1rjv n SER 2 Ca 0.00 0.00 0.23 0.00 1.01 0.00 0.00 58.87 60.11 1rjv n SER 2 Cb 0.00 -0.25 0.52 0.00 -1.01 0.00 0.00 64.21 63.46 1rjv n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjv h MET 3 N 0.00 0.37 -1.01 1.43 3.00 -1.92 -0.08 114.93 116.72 1rjv h MET 3 Ca 0.00 -0.02 0.22 0.00 0.00 0.00 0.00 59.70 59.90 1rjv h MET 3 Cb 0.50 -0.08 -0.11 0.00 0.00 0.00 0.00 31.60 31.91 1rjv h MET 3 CO 0.00 0.25 0.61 1.15 0.00 0.00 0.00 176.91 178.92 1rjv h THR 4 N 0.39 0.61 0.00 -0.10 2.02 -1.91 0.73 112.91 114.65 1rjv h THR 4 Ca 0.57 -0.21 -0.38 0.00 0.77 0.00 0.00 66.41 67.16 1rjv h THR 4 Cb 1.47 -0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1rjv h THR 4 CO -0.27 0.11 -2.38 -0.67 0.37 0.00 0.00 175.52 172.69 1rjv n ASP 5 N -4.78 2.05 -0.14 4.18 2.03 -0.21 -2.40 116.55 117.29 1rjv n ASP 5 Ca 0.25 -0.02 -0.08 0.00 0.52 0.00 0.00 54.79 55.46 1rjv n ASP 5 Cb 0.69 -0.47 -0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -0.24 0.51 0.00 -2.67 3.38 -1.09 -3.40 115.31 111.80 1rjv h LEU 6 Ca -0.57 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.31 1rjv h LEU 6 Cb 1.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1rjv h LEU 6 CO -0.16 0.46 -0.08 0.18 0.09 0.00 0.00 178.44 178.93 1rjv n LEU 7 N -4.72 0.15 0.00 1.67 7.99 0.23 -5.02 117.00 117.30 1rjv n LEU 7 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1rjv n LEU 7 Cb 0.08 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 42.90 1rjv n LEU 7 CO 0.36 -0.48 0.00 0.59 -1.51 0.00 0.00 177.39 176.34 1rjv n ASN 8 N -2.65 0.00 -0.25 -1.43 3.02 -1.11 -4.97 115.26 107.86 1rjv n ASN 8 Ca -0.01 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1rjv n ASN 8 Cb 0.04 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.57 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 1.78 -0.04 5.41 0.00 -1.70 -0.77 119.26 123.93 1rjv h ALA 9 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rjv h ALA 9 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rjv h ALA 9 CO 0.00 0.03 -0.06 0.93 0.00 0.00 0.00 179.25 180.15 1rjv h GLU 10 N 0.73 -0.08 -0.47 0.00 5.08 -1.97 0.75 114.58 118.63 1rjv h GLU 10 Ca 0.40 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.71 1rjv h GLU 10 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1rjv h GLU 10 CO -0.17 -0.06 0.05 -0.44 -1.00 0.00 0.00 179.01 177.40 1rjv h ASP 11 N -0.09 0.76 -0.90 1.42 3.32 -1.71 -2.45 116.42 116.76 1rjv h ASP 11 Ca 0.04 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 56.89 1rjv h ASP 11 Cb 0.14 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 39.42 1rjv h ASP 11 CO -0.09 0.84 0.56 0.40 -1.72 0.00 0.00 179.24 179.23 1rjv h ILE 12 N 0.65 1.01 -0.25 0.35 5.03 -1.03 0.77 117.51 124.04 1rjv h ILE 12 Ca 0.14 -0.34 0.05 0.00 -0.12 0.00 0.00 64.86 64.59 1rjv h ILE 12 Cb 0.42 -0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 34.10 1rjv h ILE 12 CO 0.01 0.18 -0.09 0.50 -0.68 0.00 0.00 178.15 178.08 1rjv h LYS 13 N 0.98 -0.04 -0.33 2.37 1.63 -0.40 0.11 116.57 120.90 1rjv h LYS 13 Ca 0.41 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.15 1rjv h LYS 13 Cb 0.26 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1rjv h LYS 13 CO -0.20 -0.03 -0.06 0.87 -3.45 0.00 0.00 179.45 176.58 1rjv h LYS 14 N -0.04 0.53 0.83 1.90 1.57 -1.02 -2.52 116.57 117.82 1rjv h LYS 14 Ca 0.12 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1rjv h LYS 14 Cb 0.23 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.48 1rjv h LYS 14 CO -0.28 0.60 -0.40 0.00 -0.57 0.00 0.00 179.45 178.81 1rjv h ALA 15 N 1.44 -1.12 -0.88 3.86 0.00 -0.15 -2.76 119.26 119.66 1rjv h ALA 15 Ca 0.10 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rjv h ALA 15 Cb 0.42 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1rjv h ALA 15 CO 0.02 -1.10 0.54 0.28 0.00 0.00 0.00 179.25 179.00 1rjv h VAL 16 N -1.19 1.02 0.00 0.00 2.07 -1.05 -0.81 116.25 116.28 1rjv h VAL 16 Ca -0.11 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1rjv h VAL 16 Cb 0.87 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1rjv h VAL 16 CO 0.19 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1rjv n GLY 17 N -1.33 -0.52 0.13 2.17 0.00 -0.95 -0.96 105.19 103.74 1rjv n GLY 17 Ca 0.13 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.24 1.15 0.23 4.61 0.00 -0.32 -4.56 120.51 120.38 1rjv n ALA 18 Ca 0.04 -1.02 0.12 0.00 0.00 0.00 0.00 53.44 52.59 1rjv n ALA 18 Cb 0.06 0.02 0.35 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.96 0.00 -0.21 0.00 0.04 -1.40 -3.42 116.94 110.99 1rjv h PHE 19 Ca -0.65 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.76 1rjv h PHE 19 Cb 1.59 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.75 1rjv h PHE 19 CO -0.06 0.08 1.13 0.43 -0.60 0.00 0.00 178.31 179.30 1rjv n SER 20 N -3.15 2.27 -2.40 2.17 7.64 -0.13 -4.78 113.62 115.24 1rjv n SER 20 Ca 0.02 -2.62 -0.11 0.00 1.01 0.00 0.00 58.87 57.17 1rjv n SER 20 Cb 0.47 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.20 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 13.49 0.08 -0.25 -0.43 0.00 -1.26 -4.99 120.51 127.15 1rjv n ALA 21 Ca 0.45 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1rjv n ALA 21 Cb 0.45 0.95 0.00 0.00 0.00 0.00 0.00 19.45 20.85 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 -0.40 0.00 -2.72 0.00 -2.24 -1.26 -4.58 114.28 103.08 1rjv n THR 22 Ca 0.03 0.94 -0.06 0.00 -2.27 0.00 0.00 64.05 62.68 1rjv n THR 22 Cb 0.40 -1.83 0.04 0.00 -2.10 0.00 0.00 70.33 66.84 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 -1.62 1.71 -2.58 3.42 5.68 -1.26 -0.82 116.55 121.09 1rjv n ASP 23 Ca 0.00 -2.45 -0.29 0.00 -0.50 0.00 0.00 54.79 51.55 1rjv n ASP 23 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1rjv n ASP 23 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1rjv n SER 24 N -0.35 5.18 -4.61 -1.12 2.88 -1.26 -4.78 113.62 109.56 1rjv n SER 24 Ca 0.10 -3.74 -0.43 0.00 -1.33 0.00 0.00 58.87 53.47 1rjv n SER 24 Cb 0.81 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 63.68 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 -3.63 1.89 -0.62 0.66 5.36 -1.26 -4.71 117.98 115.66 1rjv s PHE 25 Ca 0.49 0.60 0.05 0.00 -0.96 0.00 0.00 56.93 57.10 1rjv s PHE 25 Cb 0.40 -4.12 0.17 0.00 -0.34 0.00 0.00 43.02 39.13 1rjv s PHE 25 CO -0.22 -2.93 0.45 0.34 -1.46 0.00 0.00 175.22 171.40 1rjv s ASP 26 N 5.61 3.82 0.31 6.13 -1.08 -1.26 -4.97 116.67 125.23 1rjv s ASP 26 Ca 0.77 -3.64 -0.00 0.00 -0.52 0.00 0.00 52.55 49.17 1rjv s ASP 26 Cb -0.23 -1.28 0.51 0.00 -1.46 0.00 0.00 42.92 40.47 1rjv s ASP 26 CO 0.33 -0.11 1.97 -0.74 0.52 0.00 0.00 175.17 177.14 1rjv h HIS 27 N 5.45 0.98 0.39 -5.34 -0.00 -1.97 0.91 115.15 115.58 1rjv h HIS 27 Ca 0.19 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1rjv h HIS 27 Cb 0.80 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.85 1rjv h HIS 27 CO 0.56 0.59 -0.46 0.87 -0.00 0.00 0.00 177.93 179.50 1rjv h LYS 28 N 1.04 -0.84 -0.10 5.26 6.56 -1.90 0.85 116.57 127.44 1rjv h LYS 28 Ca 0.31 0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1rjv h LYS 28 Cb -0.04 0.19 -0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1rjv h LYS 28 CO -0.08 -0.56 0.06 0.87 -2.06 0.00 0.00 179.45 177.68 1rjv h LYS 29 N -0.88 0.13 -0.10 3.15 1.79 -1.82 -2.48 116.57 116.37 1rjv h LYS 29 Ca -0.04 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1rjv h LYS 29 Cb 0.79 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.35 1rjv h LYS 29 CO -0.10 0.13 -0.42 0.35 -1.08 0.00 0.00 179.45 178.33 1rjv h PHE 30 N 0.10 -1.20 -0.25 -1.35 3.04 -0.73 0.18 116.94 116.73 1rjv h PHE 30 Ca 0.03 0.05 0.03 0.00 3.98 0.00 0.00 57.97 62.06 1rjv h PHE 30 Cb 0.03 0.54 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1rjv h PHE 30 CO -0.06 -0.48 0.17 0.74 -2.02 0.00 0.00 178.31 176.66 1rjv h PHE 31 N -0.51 0.21 0.25 0.41 -1.00 -0.79 0.67 116.94 116.17 1rjv h PHE 31 Ca 0.07 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1rjv h PHE 31 Cb 0.63 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.13 1rjv h PHE 31 CO -0.47 0.12 -0.12 1.96 -1.61 0.00 0.00 178.31 178.20 1rjv h GLN 32 N 0.21 -0.32 -0.51 1.51 4.20 -0.91 -1.04 115.11 118.26 1rjv h GLN 32 Ca 0.10 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.94 1rjv h GLN 32 Cb 0.15 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.92 1rjv h GLN 32 CO -0.02 0.02 0.02 0.52 -0.67 0.00 0.00 178.83 178.71 1rjv h MET 33 N -0.93 0.14 0.00 1.46 2.86 -0.28 -1.83 114.93 116.34 1rjv h MET 33 Ca -0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1rjv h MET 33 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1rjv h MET 33 CO 0.06 0.09 0.00 1.55 1.06 0.00 0.00 176.91 179.67 1rjv n VAL 34 N -5.21 0.20 -1.38 -2.22 3.14 0.19 -4.62 118.33 108.43 1rjv n VAL 34 Ca 0.06 0.05 -0.13 0.00 -2.96 0.00 0.00 64.34 61.36 1rjv n VAL 34 Cb 0.28 -0.63 -0.06 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 0.92 1.34 0.42 7.55 0.00 -0.69 -4.59 105.19 110.14 1rjv n GLY 35 Ca 0.11 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.90 -1.57 0.99 3.38 -1.45 -0.57 115.31 115.19 1rjv h LEU 36 Ca -0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1rjv h LEU 36 Cb 0.97 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1rjv h LEU 36 CO 0.39 -0.63 0.30 0.11 0.09 0.00 0.00 178.44 178.70 1rjv h LYS 37 N -1.04 0.00 0.00 1.13 1.57 -1.91 0.12 116.57 116.43 1rjv h LYS 37 Ca -0.10 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1rjv h LYS 37 Cb 0.80 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1rjv h LYS 37 CO 0.16 0.00 -1.17 1.63 -0.57 0.00 0.00 179.45 179.50 1rjv n LYS 38 N -2.56 0.61 -1.94 3.15 5.02 -0.35 -4.92 118.16 117.17 1rjv n LYS 38 Ca -0.02 0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 56.08 1rjv n LYS 38 Cb 0.34 -1.79 0.11 0.00 -0.02 0.00 0.00 35.03 33.67 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 -3.33 1.66 0.64 1.97 3.01 0.03 -5.08 119.74 118.64 1rjv s LYS 39 Ca -0.02 -0.06 -0.11 0.00 -1.01 0.00 0.00 55.97 54.78 1rjv s LYS 39 Cb 0.10 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.95 1rjv s LYS 39 CO 0.81 -1.77 1.05 0.45 0.51 0.00 0.00 175.35 176.40 1rjv s SER 40 N -4.65 5.97 0.24 2.83 0.15 -1.26 -4.93 113.70 112.05 1rjv s SER 40 Ca 0.65 1.31 -0.05 0.00 0.70 0.00 0.00 55.95 58.55 1rjv s SER 40 Cb -0.09 -2.28 0.33 0.00 -1.71 0.00 0.00 66.02 62.27 1rjv s SER 40 CO 0.50 -1.02 1.86 0.00 1.20 0.00 0.00 173.24 175.78 1rjv h ALA 41 N -0.42 1.20 -0.18 5.45 0.00 -1.98 -1.14 119.26 122.19 1rjv h ALA 41 Ca -0.44 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1rjv h ALA 41 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rjv h ALA 41 CO 0.63 0.32 -0.26 0.22 0.00 0.00 0.00 179.25 180.16 1rjv h ASP 42 N 1.02 0.34 -0.17 0.00 3.58 -2.02 -2.88 116.42 116.28 1rjv h ASP 42 Ca 0.38 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1rjv h ASP 42 Cb 0.14 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1rjv h ASP 42 CO -0.16 0.60 0.09 -0.78 -2.88 0.00 0.00 179.24 176.10 1rjv h ASP 43 N 0.30 0.23 -1.06 2.28 1.82 -1.68 -2.82 116.42 115.49 1rjv h ASP 43 Ca 0.05 -0.12 0.30 0.00 -0.39 0.00 0.00 57.03 56.87 1rjv h ASP 43 Cb 0.62 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 40.51 1rjv h ASP 43 CO 0.04 0.28 0.75 0.58 -1.61 0.00 0.00 179.24 179.28 1rjv h VAL 44 N 0.16 0.48 -0.47 2.25 2.07 -1.03 0.37 116.25 120.08 1rjv h VAL 44 Ca 0.06 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.55 1rjv h VAL 44 Cb 0.11 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1rjv h VAL 44 CO -0.01 0.02 0.31 0.11 0.02 0.00 0.00 177.57 178.02 1rjv h LYS 45 N 0.10 0.60 0.00 1.57 1.57 -1.37 -0.90 116.57 118.14 1rjv h LYS 45 Ca 0.53 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.22 1rjv h LYS 45 Cb 1.90 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.07 1rjv h LYS 45 CO -0.08 0.40 -0.24 0.87 -0.57 0.00 0.00 179.45 179.83 1rjv h LYS 46 N 0.62 0.00 0.70 3.15 6.56 -0.39 -2.35 116.57 124.87 1rjv h LYS 46 Ca 0.18 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1rjv h LYS 46 Cb -0.05 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.62 1rjv h LYS 46 CO -0.05 0.24 -0.34 0.28 -2.06 0.00 0.00 179.45 177.52 1rjv h VAL 47 N 0.00 0.10 -0.80 0.50 2.07 -1.00 -1.85 116.25 115.27 1rjv h VAL 47 Ca -0.00 -0.27 0.19 0.00 0.82 0.00 0.00 66.70 67.43 1rjv h VAL 47 Cb 1.09 0.13 -0.13 0.00 -1.52 0.00 0.00 31.29 30.87 1rjv h VAL 47 CO 0.03 0.01 0.17 0.15 0.02 0.00 0.00 177.57 177.95 1rjv h PHE 48 N -1.19 0.24 -0.29 1.57 3.57 -1.15 0.11 116.94 119.79 1rjv h PHE 48 Ca -0.10 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1rjv h PHE 48 Cb 0.75 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1rjv h PHE 48 CO 0.00 -0.17 0.22 1.25 -2.23 0.00 0.00 178.31 177.39 1rjv h HIS 49 N 0.21 0.00 -0.07 0.41 2.76 -1.45 0.14 115.15 117.16 1rjv h HIS 49 Ca 0.47 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.61 1rjv h HIS 49 Cb 0.87 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1rjv h HIS 49 CO -0.30 0.00 -0.07 1.98 -1.30 0.00 0.00 177.93 178.24 1rjv h MET 50 N 0.00 0.16 0.02 5.26 1.85 -0.62 -3.34 114.93 118.27 1rjv h MET 50 Ca 0.14 -0.09 -0.17 0.00 -0.61 0.00 0.00 59.70 58.97 1rjv h MET 50 Cb 0.58 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.63 1rjv h MET 50 CO -0.00 0.61 -0.68 1.37 -0.40 0.00 0.00 176.91 177.80 1rjv h LEU 51 N -0.27 0.57 -8.49 3.39 -0.00 -1.38 -3.35 115.31 105.78 1rjv h LEU 51 Ca 0.01 -0.78 -0.34 0.00 -0.00 0.00 0.00 57.88 56.77 1rjv h LEU 51 Cb 0.58 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1rjv h LEU 51 CO 0.02 1.28 1.11 -0.62 -0.00 0.00 0.00 178.44 180.22 1rjv s ASP 52 N -6.84 4.50 -0.06 0.17 2.15 0.48 -4.82 116.67 112.24 1rjv s ASP 52 Ca -0.13 0.54 0.16 0.00 0.43 0.00 0.00 52.55 53.56 1rjv s ASP 52 Cb 0.04 -2.52 0.58 0.00 -0.30 0.00 0.00 42.92 40.71 1rjv s ASP 52 CO 0.83 -3.04 1.47 0.29 -0.17 0.00 0.00 175.17 174.56 1rjv n LYS 53 N 8.98 2.99 0.00 4.34 4.76 -1.26 -3.69 118.16 134.28 1rjv n LYS 53 Ca 0.37 -2.32 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1rjv n LYS 53 Cb 0.51 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.04 0.07 -1.72 4.39 5.75 -1.26 -5.04 116.55 119.77 1rjv n ASP 54 Ca 0.21 -0.35 -0.17 0.00 -0.01 0.00 0.00 54.79 54.48 1rjv n ASP 54 Cb 0.68 0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 41.16 1rjv n ASP 54 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1rjv n LYS 55 N -0.42 -1.28 0.00 0.11 4.01 -1.24 -4.94 118.16 114.41 1rjv n LYS 55 Ca 0.00 0.88 0.12 0.00 -0.51 0.00 0.00 58.31 58.81 1rjv n LYS 55 Cb 0.02 -5.24 0.26 0.00 -0.51 0.00 0.00 35.03 29.56 1rjv n LYS 55 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1rjv n SER 56 N -1.03 1.20 -0.62 4.39 3.41 -1.26 -4.99 113.62 114.73 1rjv n SER 56 Ca -0.19 -0.98 -0.06 0.00 -0.26 0.00 0.00 58.87 57.38 1rjv n SER 56 Cb 0.62 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 1rjv n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjv n GLY 57 N 1.38 0.33 3.61 5.00 0.00 -1.26 -5.02 105.19 109.23 1rjv n GLY 57 Ca 0.11 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.28 -1.27 0.02 1.61 0.08 -1.26 -4.77 117.98 110.11 1rjv s PHE 58 Ca 0.00 2.24 -0.27 0.00 0.12 0.00 0.00 56.93 59.02 1rjv s PHE 58 Cb 0.00 0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 43.15 1rjv s PHE 58 CO 0.00 -0.64 0.86 0.42 -0.10 0.00 0.00 175.22 175.76 1rjv s ILE 59 N 2.79 4.80 0.48 0.64 1.01 -0.93 -4.92 121.20 125.08 1rjv s ILE 59 Ca -0.06 1.82 0.06 0.00 0.00 0.00 0.00 60.65 62.47 1rjv s ILE 59 Cb -0.12 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.15 1rjv s ILE 59 CO -0.18 0.26 0.32 -1.83 0.00 0.00 0.00 174.94 173.51 1rjv s GLU 60 N 0.50 2.31 0.48 2.79 1.03 -1.26 -2.57 118.70 121.97 1rjv s GLU 60 Ca 0.44 -1.88 0.32 0.00 0.03 0.00 0.00 54.97 53.89 1rjv s GLU 60 Cb -0.21 -2.11 1.43 0.00 -0.80 0.00 0.00 34.13 32.44 1rjv s GLU 60 CO 0.25 -0.38 1.72 1.05 -1.33 0.00 0.00 175.26 176.57 1rjv h GLU 61 N 1.02 0.12 0.51 -4.83 4.11 -1.97 -1.57 114.58 111.98 1rjv h GLU 61 Ca -0.40 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.00 1rjv h GLU 61 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1rjv h GLU 61 CO 0.61 0.08 -0.24 0.22 0.07 0.00 0.00 179.01 179.75 1rjv h ASP 62 N 0.13 -0.58 -0.97 3.06 3.58 -2.02 -2.77 116.42 116.85 1rjv h ASP 62 Ca 0.69 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 58.09 1rjv h ASP 62 Cb 2.34 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 43.49 1rjv h ASP 62 CO -0.19 -0.20 0.64 -0.33 -2.88 0.00 0.00 179.24 176.28 1rjv h GLU 63 N -1.03 1.25 -0.80 0.28 5.08 -1.91 -3.17 114.58 114.29 1rjv h GLU 63 Ca -0.07 -0.08 0.19 0.00 -1.00 0.00 0.00 59.36 58.40 1rjv h GLU 63 Cb 0.61 -0.28 -0.12 0.00 0.50 0.00 0.00 28.75 29.45 1rjv h GLU 63 CO 0.11 0.83 0.19 1.25 -1.00 0.00 0.00 179.01 180.39 1rjv h LEU 64 N 1.29 -0.02 -1.75 1.33 6.46 -1.21 -0.53 115.31 120.88 1rjv h LEU 64 Ca 0.36 0.17 0.39 0.00 -0.12 0.00 0.00 57.88 58.68 1rjv h LEU 64 Cb -0.11 0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 39.98 1rjv h LEU 64 CO -0.09 -0.09 0.91 1.23 -0.62 0.00 0.00 178.44 179.79 1rjv h GLY 65 N 0.24 0.52 -5.23 3.75 0.00 -1.46 -2.80 103.07 98.09 1rjv h GLY 65 Ca 0.47 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.51 1rjv h GLY 65 CO -0.58 -0.11 -0.92 1.97 0.00 0.00 0.00 176.54 176.90 1rjv n PHE 66 N -4.33 0.46 -0.32 5.60 1.16 -0.58 -2.05 117.46 117.40 1rjv n PHE 66 Ca 0.31 -1.98 0.16 0.00 -1.87 0.00 0.00 57.45 54.07 1rjv n PHE 66 Cb 1.34 0.18 0.35 0.00 -1.61 0.00 0.00 39.48 39.75 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 5.29 0.46 -0.09 1.97 -0.00 -0.86 0.25 117.51 124.52 1rjv h ILE 67 Ca -0.22 -0.15 0.03 0.00 -0.00 0.00 0.00 64.86 64.52 1rjv h ILE 67 Cb 1.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.82 38.10 1rjv h ILE 67 CO 0.09 0.08 0.17 -0.07 -0.00 0.00 0.00 178.15 178.41 1rjv h LEU 68 N 0.43 0.00 0.00 2.19 3.38 -1.87 -1.77 115.31 117.66 1rjv h LEU 68 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 1rjv h LEU 68 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1rjv h LEU 68 CO -0.53 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.29 1rjv n LYS 69 N -3.46 0.09 -0.07 1.13 5.02 0.07 -0.43 118.16 120.52 1rjv n LYS 69 Ca -0.00 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.43 1rjv n LYS 69 Cb 0.26 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.70 0.00 0.73 0.72 0.00 -1.46 -3.39 103.07 101.37 1rjv h GLY 70 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1rjv h GLY 70 CO 0.00 0.00 0.65 0.74 0.00 0.00 0.00 176.54 177.93 1rjv h PHE 71 N -1.00 1.19 0.00 5.60 0.04 -1.16 -3.46 116.94 118.15 1rjv h PHE 71 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1rjv h PHE 71 Cb 0.74 -0.39 0.00 0.00 2.20 0.00 0.00 35.95 38.49 1rjv h PHE 71 CO 0.18 0.61 0.00 0.43 -0.60 0.00 0.00 178.31 178.93 1rjv n SER 72 N -4.50 0.00 -4.63 2.17 7.64 0.43 -4.93 113.62 109.80 1rjv n SER 72 Ca 0.16 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 1rjv n SER 72 Cb 0.19 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.25 -0.39 1.43 0.04 -1.26 -3.71 135.00 129.37 1rjv s PRO 73 Ca 0.00 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1rjv s PRO 73 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1rjv s PRO 73 CO 0.00 -2.83 0.00 -3.47 0.04 0.00 0.00 177.00 170.74 1rjv n ASP 74 N -4.23 -5.46 -4.56 6.66 2.03 -1.26 -4.96 116.55 104.76 1rjv n ASP 74 Ca 0.05 0.09 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 1rjv n ASP 74 Cb 0.58 -3.28 -0.09 0.00 -0.72 0.00 0.00 41.12 37.60 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 1.07 0.28 -1.62 -1.67 0.00 -1.24 -4.96 120.51 112.36 1rjv n ALA 75 Ca -0.04 -1.71 -0.30 0.00 0.00 0.00 0.00 53.44 51.39 1rjv n ALA 75 Cb 0.46 -3.29 0.09 0.00 0.00 0.00 0.00 19.45 16.70 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 8.76 2.14 -0.55 0.00 0.52 -1.26 -4.66 118.95 123.90 1rjv s ARG 76 Ca 0.89 0.57 -0.26 0.00 -0.52 0.00 0.00 55.73 56.40 1rjv s ARG 76 Cb -0.10 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 1rjv s ARG 76 CO 0.13 -1.56 2.03 0.34 0.02 0.00 0.00 175.30 176.26 1rjv s ASP 77 N -4.01 5.04 0.77 0.23 2.15 -1.26 -4.61 116.67 114.98 1rjv s ASP 77 Ca 0.61 0.65 -0.12 0.00 0.43 0.00 0.00 52.55 54.11 1rjv s ASP 77 Cb -0.14 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 40.02 1rjv s ASP 77 CO 0.54 -2.49 1.13 -1.48 -0.17 0.00 0.00 175.17 172.69 1rjv s LEU 78 N 9.93 3.13 0.59 -1.34 0.05 -0.87 -4.99 118.68 125.19 1rjv s LEU 78 Ca 0.78 2.05 -0.19 0.00 0.05 0.00 0.00 54.13 56.81 1rjv s LEU 78 Cb -0.15 -4.55 -0.03 0.00 -2.05 0.00 0.00 46.19 39.41 1rjv s LEU 78 CO 0.23 -2.21 1.26 -0.55 -0.55 0.00 0.00 176.35 174.53 1rjv s SER 79 N -2.78 5.11 0.53 1.48 0.15 0.00 -4.80 113.70 113.39 1rjv s SER 79 Ca 0.66 2.52 0.21 0.00 0.70 0.00 0.00 55.95 60.04 1rjv s SER 79 Cb -0.21 -2.61 1.37 0.00 -1.71 0.00 0.00 66.02 62.85 1rjv s SER 79 CO 0.51 -1.66 2.10 0.00 1.20 0.00 0.00 173.24 175.39 1rjv h ALA 80 N 0.98 2.13 -0.45 5.45 0.00 -1.94 0.38 119.26 125.81 1rjv h ALA 80 Ca -0.51 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 1rjv h ALA 80 Cb 1.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1rjv h ALA 80 CO 0.55 -0.24 -0.11 0.87 0.00 0.00 0.00 179.25 180.32 1rjv h LYS 81 N 0.00 0.87 0.45 0.00 1.57 -1.92 -1.03 116.57 116.51 1rjv h LYS 81 Ca 0.09 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1rjv h LYS 81 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1rjv h LYS 81 CO -0.00 0.97 -0.43 1.49 -0.57 0.00 0.00 179.45 180.92 1rjv h GLU 82 N 0.70 -0.85 -0.74 3.15 4.22 -1.37 -1.85 114.58 117.83 1rjv h GLU 82 Ca 0.11 0.06 0.15 0.00 0.08 0.00 0.00 59.36 59.77 1rjv h GLU 82 Cb 0.66 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.96 1rjv h GLU 82 CO 0.05 -0.57 -0.14 1.15 -2.18 0.00 0.00 179.01 177.32 1rjv h THR 83 N -0.88 0.28 -0.31 0.32 2.02 -0.91 0.38 112.91 113.80 1rjv h THR 83 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1rjv h THR 83 Cb 0.78 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1rjv h THR 83 CO -0.05 0.00 0.16 0.50 0.37 0.00 0.00 175.52 176.50 1rjv h LYS 84 N 0.02 0.45 -0.33 6.66 3.64 -0.96 0.48 116.57 126.52 1rjv h LYS 84 Ca 0.37 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1rjv h LYS 84 Cb 0.59 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1rjv h LYS 84 CO -0.74 0.41 -0.03 0.52 -2.27 0.00 0.00 179.45 177.34 1rjv h MET 85 N 0.37 0.61 -0.27 1.90 2.86 -0.45 -2.57 114.93 117.39 1rjv h MET 85 Ca 0.11 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1rjv h MET 85 Cb 0.10 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 1rjv h MET 85 CO -0.01 0.75 0.09 1.25 1.06 0.00 0.00 176.91 180.05 1rjv h LEU 86 N 0.41 0.10 0.27 1.22 6.46 -0.16 0.85 115.31 124.45 1rjv h LEU 86 Ca 0.09 0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1rjv h LEU 86 Cb 0.50 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1rjv h LEU 86 CO 0.02 0.09 -0.41 0.24 -0.62 0.00 0.00 178.44 177.77 1rjv h MET 87 N 0.21 -0.71 -0.73 1.25 2.86 -0.91 0.42 114.93 117.32 1rjv h MET 87 Ca 0.12 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1rjv h MET 87 Cb 0.09 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1rjv h MET 87 CO -0.13 -0.48 0.48 0.00 1.06 0.00 0.00 176.91 177.85 1rjv h ALA 88 N -0.31 1.56 0.04 6.32 0.00 -1.11 -0.15 119.26 125.60 1rjv h ALA 88 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rjv h ALA 88 Cb 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rjv h ALA 88 CO -0.14 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.46 1rjv h ALA 89 N 1.57 -0.06 -0.42 0.00 0.00 -0.77 -3.39 119.26 116.18 1rjv h ALA 89 Ca 0.28 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1rjv h ALA 89 Cb 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 1rjv h ALA 89 CO -0.08 -0.10 -0.45 0.78 0.00 0.00 0.00 179.25 179.40 1rjv h GLY 90 N -0.92 -0.63 -5.37 0.00 0.00 0.01 -2.79 103.07 93.37 1rjv h GLY 90 Ca -0.01 0.58 -0.56 0.00 0.00 0.00 0.00 47.33 47.34 1rjv h GLY 90 CO 0.01 -0.17 3.20 1.34 0.00 0.00 0.00 176.54 180.92 1rjv n ASP 91 N -5.41 6.38 0.00 0.19 2.03 -0.08 -4.19 116.55 115.47 1rjv n ASP 91 Ca -0.01 -2.51 0.02 0.00 0.52 0.00 0.00 54.79 52.81 1rjv n ASP 91 Cb 0.35 -1.36 0.07 0.00 -0.72 0.00 0.00 41.12 39.46 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 4.31 0.01 0.00 -0.67 2.85 -1.06 -1.84 118.16 121.77 1rjv n LYS 92 Ca 0.61 0.39 0.11 0.00 -1.05 0.00 0.00 58.31 58.37 1rjv n LYS 92 Cb 0.22 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.08 1rjv n LYS 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1rjv n ASP 93 N -1.44 1.14 -0.13 -5.58 2.03 -1.26 -5.01 116.55 106.30 1rjv n ASP 93 Ca 0.01 -0.99 -0.01 0.00 0.52 0.00 0.00 54.79 54.31 1rjv n ASP 93 Cb 0.03 0.74 -0.00 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.48 0.41 0.09 0.27 0.00 -0.76 -4.98 105.19 101.69 1rjv n GLY 94 Ca 0.06 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.96 -3.49 116.42 115.90 1rjv h ASP 95 Ca -0.03 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1rjv h ASP 95 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1rjv h ASP 95 CO 0.04 1.18 0.00 0.61 -1.72 0.00 0.00 179.24 179.35 1rjv n GLY 96 N 1.52 1.14 3.66 2.75 0.00 -1.26 -5.13 105.19 107.87 1rjv n GLY 96 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 3.47 -0.02 1.61 -0.14 -1.26 -4.82 119.74 118.58 1rjv s LYS 97 Ca 0.00 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 1rjv s LYS 97 Cb 0.00 -3.00 -0.06 0.00 -1.68 0.00 0.00 37.83 33.09 1rjv s LYS 97 CO 0.00 0.50 1.65 0.42 -0.76 0.00 0.00 175.35 177.16 1rjv s ILE 98 N -0.31 3.45 0.18 2.17 1.01 -1.06 -4.55 121.20 122.08 1rjv s ILE 98 Ca 0.07 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.44 1rjv s ILE 98 Cb -0.12 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1rjv s ILE 98 CO 0.02 -0.04 0.07 -0.83 0.00 0.00 0.00 174.94 174.15 1rjv s GLY 99 N 3.07 1.70 0.00 6.18 0.00 -1.26 -2.19 107.32 114.82 1rjv s GLY 99 Ca 0.73 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1rjv s GLY 99 CO 0.30 -1.34 0.83 1.55 0.00 0.00 0.00 173.10 174.44 1rjv n VAL 100 N -0.32 0.00 0.06 1.40 3.14 -1.26 -0.74 118.33 120.62 1rjv n VAL 100 Ca -0.09 1.24 -0.06 0.00 -2.96 0.00 0.00 64.34 62.47 1rjv n VAL 100 Cb 0.55 -1.65 0.11 0.00 -1.06 0.00 0.00 33.84 31.79 1rjv n VAL 100 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1rjv h ASP 101 N 0.00 0.38 0.57 6.55 3.58 -1.98 -2.28 116.42 123.24 1rjv h ASP 101 Ca 0.00 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 1rjv h ASP 101 Cb 0.00 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.94 1rjv h ASP 101 CO 0.00 0.87 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.60 1rjv h GLU 102 N 0.25 -0.76 0.00 0.28 5.08 -1.87 -0.22 114.58 117.35 1rjv h GLU 102 Ca -0.00 0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1rjv h GLU 102 Cb 1.08 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1rjv h GLU 102 CO 0.09 -0.51 -0.29 0.27 -1.00 0.00 0.00 179.01 177.58 1rjv h PHE 103 N -0.79 0.00 0.45 4.33 -5.15 -0.93 0.78 116.94 115.62 1rjv h PHE 103 Ca -0.08 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.67 1rjv h PHE 103 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.79 1rjv h PHE 103 CO 0.05 0.29 -0.21 1.03 -2.00 0.00 0.00 178.31 177.47 1rjv h SER 104 N 0.00 -0.51 1.01 -0.68 0.87 -1.42 -3.35 113.55 109.47 1rjv h SER 104 Ca -0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1rjv h SER 104 Cb 0.62 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1rjv h SER 104 CO 0.04 -0.35 -0.11 0.71 -0.53 0.00 0.00 176.83 176.58 1rjv h THR 105 N -0.62 0.28 -0.97 2.23 1.35 -0.60 -1.80 112.91 112.78 1rjv h THR 105 Ca -0.06 -0.83 0.23 0.00 -0.55 0.00 0.00 66.41 65.20 1rjv h THR 105 Cb 0.46 1.66 -0.18 0.00 -1.73 0.00 0.00 68.15 68.36 1rjv h THR 105 CO 0.10 0.11 -0.10 -0.11 -0.25 0.00 0.00 175.52 175.27 1rjv n LEU 106 N -3.25 -0.22 0.04 3.87 7.94 0.23 -1.17 117.00 124.44 1rjv n LEU 106 Ca 0.00 1.66 0.13 0.00 -1.11 0.00 0.00 56.01 56.69 1rjv n LEU 106 Cb 0.38 -0.56 0.40 0.00 0.53 0.00 0.00 43.42 44.17 1rjv n LEU 106 CO 0.31 -1.64 0.71 1.33 -1.11 0.00 0.00 177.39 176.99 1rjv n VAL 107 N -5.51 0.21 0.05 1.96 0.24 -0.68 -0.90 118.33 113.71 1rjv n VAL 107 Ca 0.19 -0.12 -0.22 0.00 -2.04 0.00 0.00 64.34 62.15 1rjv n VAL 107 Cb 0.63 -0.28 -0.15 0.00 -1.47 0.00 0.00 33.84 32.57 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 2.79 0.09 0.00 2.33 0.00 -1.45 -3.08 119.26 119.95 1rjv h ALA 108 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1rjv h ALA 108 Cb 0.60 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1rjv h ALA 108 CO 0.00 0.81 0.00 0.39 0.00 0.00 0.00 179.25 180.45 1rjv n GLU 109 N -3.82 0.05 0.00 0.00 -0.58 -0.31 -5.14 120.64 110.83 1rjv n GLU 109 Ca -0.22 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1rjv n GLU 109 Cb 0.97 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1rjv n GLU 109 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52