#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynj n ALA 2 N 0.00 -1.22 -1.71 3.04 0.00 -1.26 -4.74 120.51 114.62 1ynj n ALA 2 Ca 0.00 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.07 1ynj n ALA 2 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 1ynj n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ynj n GLU 3 N -0.17 2.70 -1.75 0.00 -0.58 -1.26 -4.81 120.64 114.78 1ynj n GLU 3 Ca 0.02 0.98 -0.43 0.00 -0.42 0.00 0.00 57.16 57.31 1ynj n GLU 3 Cb 0.41 -2.82 -0.03 0.00 -0.57 0.00 0.00 31.44 28.43 1ynj n GLU 3 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1ynj s PRO 4 N 1.44 3.33 0.00 3.49 0.02 -1.26 -2.60 135.00 139.42 1ynj s PRO 4 Ca 0.77 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1ynj s PRO 4 Cb -0.52 -4.28 0.00 0.00 0.02 0.00 0.00 34.50 29.71 1ynj s PRO 4 CO 0.34 -1.87 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1ynj n GLY 5 N 5.48 0.38 0.10 0.52 0.00 -1.26 -4.92 105.19 105.50 1ynj n GLY 5 Ca 0.26 -1.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1ynj n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ynj h ILE 6 N 0.00 1.55 -0.56 -0.61 2.10 -1.88 -2.05 117.51 116.06 1ynj h ILE 6 Ca 0.00 -2.68 0.05 0.00 1.08 0.00 0.00 64.86 63.31 1ynj h ILE 6 Cb 0.34 2.45 -0.05 0.00 -1.09 0.00 0.00 36.82 38.47 1ynj h ILE 6 CO 0.00 0.76 0.29 0.44 -1.08 0.00 0.00 178.15 178.56 1ynj h ASP 7 N 0.00 0.42 -0.70 2.19 3.32 -1.93 0.35 116.42 120.06 1ynj h ASP 7 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1ynj h ASP 7 Cb 1.39 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 1ynj h ASP 7 CO 0.10 0.28 0.32 0.11 -1.72 0.00 0.00 179.24 178.33 1ynj h LYS 8 N 0.56 1.03 -0.52 3.56 1.57 -1.93 -2.87 116.57 117.95 1ynj h LYS 8 Ca 0.25 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1ynj h LYS 8 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ynj h LYS 8 CO -0.17 0.82 0.07 -0.07 -0.57 0.00 0.00 179.45 179.53 1ynj h LEU 9 N 0.99 0.85 -1.45 2.94 3.38 -0.51 -2.43 115.31 119.08 1ynj h LEU 9 Ca 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ynj h LEU 9 Cb 0.15 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ynj h LEU 9 CO -0.03 0.91 0.10 -0.26 0.09 0.00 0.00 178.44 179.25 1ynj h PHE 10 N 0.76 0.47 0.00 1.13 0.05 -0.30 -2.73 116.94 116.31 1ynj h PHE 10 Ca 0.16 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.89 1ynj h PHE 10 Cb 0.43 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 1ynj h PHE 10 CO 0.03 0.40 -0.19 0.78 -0.18 0.00 0.00 178.31 179.14 1ynj h GLY 11 N 0.66 0.00 2.00 -1.45 0.00 -1.25 -3.18 103.07 99.85 1ynj h GLY 11 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1ynj h GLY 11 CO -0.01 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 176.12 1ynj h MET 12 N 0.00 0.00 -5.52 4.80 2.86 -1.11 -3.45 114.93 112.50 1ynj h MET 12 Ca -0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 1ynj h MET 12 Cb 0.93 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.45 1ynj h MET 12 CO 0.03 0.08 -0.71 0.14 1.06 0.00 0.00 176.91 177.50 1ynj s VAL 13 N -4.33 1.68 -0.01 -2.22 -7.23 -1.20 -5.08 120.40 102.00 1ynj s VAL 13 Ca -0.04 -2.18 -0.24 0.00 -1.81 0.00 0.00 61.98 57.72 1ynj s VAL 13 Cb 0.14 -2.19 -0.19 0.00 0.56 0.00 0.00 36.38 34.70 1ynj s VAL 13 CO 0.57 -0.49 1.25 -2.24 -0.31 0.00 0.00 175.10 173.89 1ynj h ASP 14 N 2.46 0.13 0.00 4.85 2.03 -1.88 -3.41 116.42 120.60 1ynj h ASP 14 Ca -0.39 -0.53 -0.00 0.00 -0.73 0.00 0.00 57.03 55.38 1ynj h ASP 14 Cb 1.23 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1ynj h ASP 14 CO 0.64 0.63 -0.22 -0.24 -1.03 0.00 0.00 179.24 179.02 1ynj n SER 15 N -4.73 1.48 0.00 4.15 2.88 -1.26 -5.01 113.62 111.13 1ynj n SER 15 Ca -0.08 -2.72 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 1ynj n SER 15 Cb 0.31 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1ynj n SER 15 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ynj n LYS 16 N -0.89 0.00 -0.22 -1.46 4.81 -1.26 -3.89 118.16 115.26 1ynj n LYS 16 Ca 0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.50 1ynj n LYS 16 Cb 0.67 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.85 1ynj n LYS 16 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1ynj h TYR 17 N 0.00 1.05 -0.65 5.64 0.05 -1.99 -0.10 116.97 120.98 1ynj h TYR 17 Ca 0.00 -0.08 0.14 0.00 0.05 0.00 0.00 58.73 58.83 1ynj h TYR 17 Cb 0.00 -0.31 -0.10 0.00 1.01 0.00 0.00 36.73 37.32 1ynj h TYR 17 CO 0.00 0.82 0.06 -0.09 -1.05 0.00 0.00 178.16 177.90 1ynj h ARG 18 N 1.00 0.16 0.16 4.88 2.43 -1.98 0.56 114.38 121.60 1ynj h ARG 18 Ca 0.23 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1ynj h ARG 18 Cb 0.23 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1ynj h ARG 18 CO -0.01 0.11 -0.51 1.25 -1.51 0.00 0.00 179.97 179.29 1ynj h LEU 19 N 0.17 -1.51 -0.59 3.80 5.85 -1.35 0.40 115.31 122.07 1ynj h LEU 19 Ca 0.35 0.15 0.06 0.00 0.84 0.00 0.00 57.88 59.28 1ynj h LEU 19 Cb 0.57 0.55 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1ynj h LEU 19 CO -0.51 -0.55 -0.42 0.74 -0.34 0.00 0.00 178.44 177.35 1ynj h THR 20 N -0.76 0.00 -1.01 1.05 2.02 -0.68 -0.46 112.91 113.07 1ynj h THR 20 Ca -0.01 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.40 1ynj h THR 20 Cb 0.75 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.04 1ynj h THR 20 CO -0.25 0.00 0.61 0.58 0.37 0.00 0.00 175.52 176.83 1ynj h VAL 21 N -0.09 0.59 0.33 3.16 2.07 0.07 0.34 116.25 122.72 1ynj h VAL 21 Ca 0.10 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1ynj h VAL 21 Cb 0.34 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1ynj h VAL 21 CO -0.61 0.11 -0.16 0.58 0.02 0.00 0.00 177.57 177.51 1ynj h VAL 22 N 0.60 0.59 -0.74 2.57 2.07 0.19 0.13 116.25 121.65 1ynj h VAL 22 Ca 0.61 -0.68 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1ynj h VAL 22 Cb 1.18 0.89 -0.14 0.00 -1.52 0.00 0.00 31.29 31.70 1ynj h VAL 22 CO -0.41 0.11 -0.29 0.58 0.02 0.00 0.00 177.57 177.59 1ynj h VAL 23 N -0.87 0.16 0.60 2.57 2.07 0.58 0.43 116.25 121.78 1ynj h VAL 23 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ynj h VAL 23 Cb 0.53 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1ynj h VAL 23 CO 0.07 0.00 -0.33 0.00 0.02 0.00 0.00 177.57 177.34 1ynj h ALA 24 N 1.37 -0.87 0.00 1.67 0.00 -0.42 0.37 119.26 121.38 1ynj h ALA 24 Ca 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ynj h ALA 24 Cb 0.57 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ynj h ALA 24 CO -0.79 -1.00 -0.01 0.87 0.00 0.00 0.00 179.25 178.33 1ynj h LYS 25 N -0.86 0.00 0.00 0.00 1.57 0.73 0.68 116.57 118.68 1ynj h LYS 25 Ca -0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ynj h LYS 25 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1ynj h LYS 25 CO 0.11 0.01 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.80 1ynj h ARG 26 N 0.00 0.00 0.00 3.15 9.65 0.05 -3.12 114.38 124.11 1ynj h ARG 26 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ynj h ARG 26 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1ynj h ARG 26 CO 0.00 0.30 0.54 0.00 2.80 0.00 0.00 179.97 183.61 1ynj h ALA 27 N -0.72 1.50 0.36 2.80 0.00 0.43 0.22 119.26 123.86 1ynj h ALA 27 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ynj h ALA 27 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ynj h ALA 27 CO -0.01 -0.50 -0.18 0.37 0.00 0.00 0.00 179.25 178.94 1ynj h GLN 28 N 0.00 -0.47 -0.68 0.00 5.75 -0.89 -2.88 115.11 115.94 1ynj h GLN 28 Ca 0.00 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1ynj h GLN 28 Cb 1.09 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1ynj h GLN 28 CO 0.00 -0.31 0.25 -0.56 -2.65 0.00 0.00 178.83 175.56 1ynj h GLN 29 N -0.85 1.04 0.00 1.69 3.07 -0.62 -1.49 115.11 117.95 1ynj h GLN 29 Ca -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 58.65 58.49 1ynj h GLN 29 Cb 0.38 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1ynj h GLN 29 CO 0.08 0.88 0.00 1.25 0.09 0.00 0.00 178.83 181.13 1ynj h LEU 30 N 0.98 0.00 0.05 0.06 5.85 -0.98 -0.83 115.31 120.43 1ynj h LEU 30 Ca 0.23 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.67 1ynj h LEU 30 Cb 0.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ynj h LEU 30 CO -0.01 0.00 -1.49 0.25 -0.34 0.00 0.00 178.44 176.84 1ynj h LEU 31 N 0.00 0.15 0.00 2.25 5.85 -1.09 -3.34 115.31 119.14 1ynj h LEU 31 Ca 0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1ynj h LEU 31 Cb 0.08 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1ynj h LEU 31 CO 0.00 1.61 0.00 -1.14 -0.34 0.00 0.00 178.44 178.57 1ynj n ARG 32 N -4.11 0.68 -4.28 1.25 0.63 -0.43 -3.58 116.66 106.81 1ynj n ARG 32 Ca -0.32 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.34 1ynj n ARG 32 Cb 0.81 -1.46 -0.17 0.00 0.45 0.00 0.00 32.46 32.09 1ynj n ARG 32 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1ynj s HIS 33 N -2.00 1.75 0.18 -0.14 3.76 -0.52 -4.90 115.29 113.42 1ynj s HIS 33 Ca 0.30 -0.82 -0.31 0.00 -0.15 0.00 0.00 55.06 54.08 1ynj s HIS 33 Cb 0.14 -1.31 -0.17 0.00 1.11 0.00 0.00 32.58 32.35 1ynj s HIS 33 CO 0.23 -0.47 0.85 0.54 -0.85 0.00 0.00 174.74 175.05 1ynj n ARG 34 N 4.38 0.53 0.00 1.40 1.74 -1.23 -4.23 116.66 119.25 1ynj n ARG 34 Ca -0.18 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ynj n ARG 34 Cb 0.51 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 1ynj n ARG 34 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ynj n PHE 35 N 0.63 0.00 -0.16 -1.55 3.01 -1.25 -4.20 117.46 113.94 1ynj n PHE 35 Ca 0.16 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.61 1ynj n PHE 35 Cb 0.24 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.69 1ynj n PHE 35 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ynj n LYS 36 N 0.00 0.31 0.00 -1.08 5.02 -1.26 -2.08 118.16 119.07 1ynj n LYS 36 Ca 0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1ynj n LYS 36 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 1ynj n LYS 36 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ynj n ASN 37 N 2.21 0.00 -4.31 4.39 2.85 -1.26 -5.04 115.26 114.10 1ynj n ASN 37 Ca 0.03 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.10 1ynj n ASN 37 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1ynj n ASN 37 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1ynj n THR 38 N 0.00 0.67 -0.10 -0.44 -1.04 -0.89 -4.94 114.28 107.54 1ynj n THR 38 Ca 0.00 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1ynj n THR 38 Cb 0.00 -0.09 -0.15 0.00 -1.82 0.00 0.00 70.33 68.26 1ynj n THR 38 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ynj n VAL 39 N -1.18 1.37 0.65 12.58 0.31 -1.26 -4.64 118.33 126.16 1ynj n VAL 39 Ca 0.10 -0.82 0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1ynj n VAL 39 Cb 0.42 -0.54 0.45 0.00 -0.91 0.00 0.00 33.84 33.26 1ynj n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ynj n LEU 40 N -2.78 0.25 0.00 7.52 -0.00 -1.26 -4.85 117.00 115.88 1ynj n LEU 40 Ca -0.33 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.22 1ynj n LEU 40 Cb 1.14 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1ynj n LEU 40 CO 0.41 -0.22 0.00 1.21 -0.00 0.00 0.00 177.39 178.79 1ynj n GLU 41 N -1.76 0.00 0.00 1.47 2.13 -1.26 -4.18 120.64 117.04 1ynj n GLU 41 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1ynj n GLU 41 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.98 1ynj n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ynj n PRO 42 N -0.26 0.00 -2.21 5.31 -0.02 -1.26 -1.62 135.00 134.94 1ynj n PRO 42 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1ynj n PRO 42 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 1ynj n PRO 42 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ynj n GLU 43 N 0.00 3.29 -0.05 -0.52 4.71 -1.26 -4.62 120.64 122.20 1ynj n GLU 43 Ca 0.00 -4.18 -0.05 0.00 -0.01 0.00 0.00 57.16 52.92 1ynj n GLU 43 Cb 0.00 -2.26 -0.07 0.00 -1.01 0.00 0.00 31.44 28.10 1ynj n GLU 43 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ynj n GLU 44 N -0.56 2.23 -1.51 3.49 1.02 -0.64 -5.05 120.64 119.62 1ynj n GLU 44 Ca 0.44 0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 57.09 1ynj n GLU 44 Cb 0.64 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 1ynj n GLU 44 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ynj n ARG 45 N -2.40 0.61 -2.22 3.49 1.85 -1.17 -4.93 116.66 111.88 1ynj n ARG 45 Ca -0.16 0.21 -0.33 0.00 -1.00 0.00 0.00 57.85 56.58 1ynj n ARG 45 Cb 0.79 -1.52 -0.01 0.00 -1.05 0.00 0.00 32.46 30.67 1ynj n ARG 45 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1ynj s PRO 46 N -0.73 3.51 0.29 2.89 0.04 -1.26 -4.96 135.00 134.79 1ynj s PRO 46 Ca 0.71 1.23 0.05 0.00 0.04 0.00 0.00 61.00 63.02 1ynj s PRO 46 Cb -0.92 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.52 1ynj s PRO 46 CO 0.56 -0.65 0.23 0.15 0.04 0.00 0.00 177.00 177.33 1ynj s LYS 47 N -3.83 1.59 -0.03 4.56 -0.14 -1.26 -1.69 119.74 118.94 1ynj s LYS 47 Ca 0.64 -1.91 0.04 0.00 -1.36 0.00 0.00 55.97 53.39 1ynj s LYS 47 Cb -0.16 0.30 -0.01 0.00 -1.68 0.00 0.00 37.83 36.29 1ynj s LYS 47 CO 0.31 -0.57 -0.16 -1.64 -0.76 0.00 0.00 175.35 172.54 1ynj s MET 48 N -3.66 1.53 0.34 1.68 -1.94 -0.46 -4.60 119.30 112.20 1ynj s MET 48 Ca 0.40 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.70 1ynj s MET 48 Cb 0.04 -1.38 -0.08 0.00 2.01 0.00 0.00 34.83 35.42 1ynj s MET 48 CO 0.23 0.26 0.73 -0.98 -0.01 0.00 0.00 175.02 175.25 1ynj s ARG 49 N -0.07 3.90 0.02 2.03 1.70 -1.26 -3.12 118.95 122.15 1ynj s ARG 49 Ca -0.01 0.55 -0.00 0.00 -0.47 0.00 0.00 55.73 55.80 1ynj s ARG 49 Cb -0.10 -2.44 0.00 0.00 -0.57 0.00 0.00 34.95 31.85 1ynj s ARG 49 CO 0.01 0.10 0.04 2.41 -1.08 0.00 0.00 175.30 176.78 1ynj n THR 50 N -0.69 0.00 -2.45 4.99 -1.04 -1.26 -5.00 114.28 108.82 1ynj n THR 50 Ca 0.03 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.52 1ynj n THR 50 Cb 0.53 0.07 0.01 0.00 -1.82 0.00 0.00 70.33 69.12 1ynj n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ynj n LEU 51 N 0.00 6.94 0.00 -4.42 -0.00 -1.26 -4.86 117.00 113.40 1ynj n LEU 51 Ca -0.00 -4.90 0.00 0.00 -0.00 0.00 0.00 56.01 51.11 1ynj n LEU 51 Cb 0.04 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.08 1ynj n LEU 51 CO 0.02 1.65 0.00 1.21 -0.00 0.00 0.00 177.39 180.27 1ynj n GLU 52 N 2.48 0.00 -2.08 1.47 0.00 -1.26 -5.18 120.64 116.08 1ynj n GLU 52 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 57.30 1ynj n GLU 52 Cb 0.32 0.00 0.13 0.00 0.00 0.00 0.00 31.44 31.89 1ynj n GLU 52 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ynj s GLY 53 N 0.00 1.71 -0.35 8.31 0.00 -1.26 -4.94 107.32 110.78 1ynj s GLY 53 Ca 0.00 -1.08 -0.37 0.00 0.00 0.00 0.00 44.72 43.27 1ynj s GLY 53 CO 0.00 -0.49 2.11 1.47 0.00 0.00 0.00 173.10 176.19 1ynj n LEU 54 N -3.34 1.99 -4.64 0.66 -0.00 -1.26 -4.72 117.00 105.70 1ynj n LEU 54 Ca 0.12 0.57 -0.31 0.00 -0.00 0.00 0.00 56.01 56.38 1ynj n LEU 54 Cb 0.60 -1.19 -0.09 0.00 -0.00 0.00 0.00 43.42 42.74 1ynj n LEU 54 CO 0.49 -0.67 -0.36 -0.31 -0.00 0.00 0.00 177.39 176.54 1ynj s TYR 55 N 6.46 2.94 -0.46 1.47 1.51 -1.18 -4.90 117.35 123.19 1ynj s TYR 55 Ca 1.09 -0.03 -0.42 0.00 -1.01 0.00 0.00 57.07 56.71 1ynj s TYR 55 Cb -0.98 -1.57 -0.17 0.00 -0.11 0.00 0.00 41.96 39.12 1ynj s TYR 55 CO 0.54 0.43 2.15 -0.25 -1.11 0.00 0.00 175.55 177.31 1ynj n ASP 56 N 1.08 1.15 -4.56 2.29 8.00 -1.26 -1.35 116.55 121.90 1ynj n ASP 56 Ca -0.13 0.61 -0.53 0.00 0.71 0.00 0.00 54.79 55.44 1ynj n ASP 56 Cb 0.52 -1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 1ynj n ASP 56 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ynj n ASP 57 N 8.12 1.09 -1.71 -2.24 -0.08 -0.68 -4.82 116.55 116.22 1ynj n ASP 57 Ca 0.51 1.13 0.06 0.00 -1.51 0.00 0.00 54.79 54.98 1ynj n ASP 57 Cb 0.04 -1.11 0.35 0.00 2.34 0.00 0.00 41.12 42.73 1ynj n ASP 57 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1ynj n PRO 58 N 2.11 4.36 -3.34 -0.67 -0.04 -1.26 -4.88 135.00 131.28 1ynj n PRO 58 Ca 0.18 -2.72 -0.45 0.00 -0.04 0.00 0.00 63.50 60.48 1ynj n PRO 58 Cb 0.17 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.39 1ynj n PRO 58 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1ynj s ASN 59 N -0.67 6.17 0.11 3.54 3.04 -1.26 -4.97 114.94 120.89 1ynj s ASN 59 Ca 0.47 -1.36 -0.30 0.00 0.04 0.00 0.00 52.86 51.71 1ynj s ASN 59 Cb 0.36 -2.21 -0.11 0.00 -1.54 0.00 0.00 41.25 37.76 1ynj s ASN 59 CO 0.14 -0.73 1.49 0.00 -3.04 0.00 0.00 177.10 174.95 1ynj h ALA 60 N 8.82 -0.81 -0.84 1.71 0.00 -1.89 0.17 119.26 126.42 1ynj h ALA 60 Ca -0.29 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ynj h ALA 60 Cb 1.11 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 1ynj h ALA 60 CO 0.93 -1.00 0.55 -0.39 0.00 0.00 0.00 179.25 179.33 1ynj h VAL 61 N -0.46 1.09 -0.19 0.00 -1.51 -1.88 1.06 116.25 114.35 1ynj h VAL 61 Ca 0.04 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1ynj h VAL 61 Cb 0.58 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 1ynj h VAL 61 CO -0.44 0.18 0.13 0.74 -1.23 0.00 0.00 177.57 176.95 1ynj h THR 62 N 0.98 1.05 -0.35 7.19 2.02 -1.82 -0.59 112.91 121.39 1ynj h THR 62 Ca 0.35 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1ynj h THR 62 Cb 0.14 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1ynj h THR 62 CO -0.12 0.05 0.23 -0.50 0.37 0.00 0.00 175.52 175.55 1ynj h TRP 63 N 0.26 0.44 -0.97 3.16 4.06 0.12 -2.49 115.95 120.52 1ynj h TRP 63 Ca 0.07 0.01 0.16 0.00 2.06 0.00 0.00 58.89 61.19 1ynj h TRP 63 Cb -0.03 -0.15 -0.10 0.00 -1.00 0.00 0.00 29.16 27.89 1ynj h TRP 63 CO -0.06 0.28 0.58 0.00 -3.56 0.00 0.00 178.44 175.68 1ynj h ALA 64 N 1.12 1.53 -0.05 1.49 0.00 0.15 0.17 119.26 123.68 1ynj h ALA 64 Ca 0.13 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1ynj h ALA 64 Cb -0.05 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ynj h ALA 64 CO -0.03 0.03 -0.57 0.52 0.00 0.00 0.00 179.25 179.20 1ynj h MET 65 N 0.81 0.47 -0.09 0.00 2.86 -0.85 -1.60 114.93 116.54 1ynj h MET 65 Ca 0.53 -0.44 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1ynj h MET 65 Cb 0.71 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1ynj h MET 65 CO -0.34 1.09 -0.15 -0.22 1.06 0.00 0.00 176.91 178.34 1ynj h LYS 66 N 0.02 -0.21 0.00 1.72 3.64 -1.01 -2.11 116.57 118.63 1ynj h LYS 66 Ca -0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ynj h LYS 66 Cb 1.25 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1ynj h LYS 66 CO 0.12 -0.14 0.00 -1.91 -2.27 0.00 0.00 179.45 175.25 1ynj n GLU 67 N -5.30 0.00 -0.32 1.90 2.13 0.56 -2.25 120.64 117.36 1ynj n GLU 67 Ca -0.04 0.84 0.21 0.00 0.66 0.00 0.00 57.16 58.84 1ynj n GLU 67 Cb 0.21 -1.48 0.42 0.00 0.27 0.00 0.00 31.44 30.86 1ynj n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ynj h LEU 68 N 0.00 0.16 0.00 4.31 5.85 -1.23 -1.46 115.31 122.94 1ynj h LEU 68 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ynj h LEU 68 Cb 0.00 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1ynj h LEU 68 CO 0.00 -0.24 0.00 -0.11 -0.34 0.00 0.00 178.44 177.75 1ynj n LEU 69 N -5.22 0.00 -0.73 2.25 7.94 -0.80 -1.98 117.00 118.45 1ynj n LEU 69 Ca 0.29 0.19 0.06 0.00 -1.11 0.00 0.00 56.01 55.44 1ynj n LEU 69 Cb 0.93 -0.19 0.18 0.00 0.53 0.00 0.00 43.42 44.87 1ynj n LEU 69 CO 0.04 -0.18 0.65 0.35 -1.11 0.00 0.00 177.39 177.14 1ynj n THR 70 N -1.19 1.25 -0.90 1.96 -2.24 -0.55 -4.97 114.28 107.64 1ynj n THR 70 Ca 0.01 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.63 1ynj n THR 70 Cb 0.01 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1ynj n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ynj n GLY 71 N 0.39 0.07 0.20 3.38 0.00 -0.84 -4.83 105.19 103.56 1ynj n GLY 71 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1ynj n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ynj n ARG 72 N -0.04 0.85 -4.52 1.61 1.74 -1.26 -4.82 116.66 110.21 1ynj n ARG 72 Ca 0.00 -0.40 -0.25 0.00 -0.77 0.00 0.00 57.85 56.43 1ynj n ARG 72 Cb 0.34 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1ynj n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ynj s LEU 73 N -2.43 2.69 0.02 0.55 1.43 -1.26 -5.06 118.68 114.62 1ynj s LEU 73 Ca 0.28 -1.17 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1ynj s LEU 73 Cb 0.20 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 1ynj s LEU 73 CO 0.48 -0.17 -0.12 -0.36 0.23 0.00 0.00 176.35 176.41 1ynj s PHE 74 N -2.63 1.03 -0.66 0.29 0.40 -1.26 -5.07 117.98 110.09 1ynj s PHE 74 Ca 0.32 -0.28 -0.16 0.00 -0.60 0.00 0.00 56.93 56.20 1ynj s PHE 74 Cb 0.01 -0.63 0.15 0.00 0.51 0.00 0.00 43.02 43.06 1ynj s PHE 74 CO 0.16 0.00 0.66 -0.06 0.70 0.00 0.00 175.22 176.68 1ynj s PHE 75 N -0.61 3.32 -0.19 0.36 2.99 -1.26 -5.03 117.98 117.56 1ynj s PHE 75 Ca 0.02 -1.41 -0.29 0.00 0.00 0.00 0.00 56.93 55.25 1ynj s PHE 75 Cb -0.06 -3.89 -0.00 0.00 0.00 0.00 0.00 43.02 39.07 1ynj s PHE 75 CO 0.00 -1.11 1.11 0.20 -0.00 0.00 0.00 175.22 175.43 1ynj s GLY 76 N 3.22 1.77 0.12 4.36 0.00 -1.26 -4.90 107.32 110.63 1ynj s GLY 76 Ca 0.11 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.03 1ynj s GLY 76 CO -0.00 2.25 1.36 -2.09 0.00 0.00 0.00 173.10 174.62 1ynj h GLU 77 N 7.64 0.74 0.00 2.90 4.22 -2.00 -3.39 114.58 124.69 1ynj h GLU 77 Ca -0.23 -0.57 0.00 0.00 0.08 0.00 0.00 59.36 58.64 1ynj h GLU 77 Cb 1.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ynj h GLU 77 CO 0.96 1.19 -0.28 -1.71 -2.18 0.00 0.00 179.01 176.99 1ynj n ASN 78 N -3.94 0.00 -4.65 1.04 2.85 -1.26 -5.09 115.26 104.21 1ynj n ASN 78 Ca -0.06 -1.56 -0.39 0.00 -0.11 0.00 0.00 54.58 52.46 1ynj n ASN 78 Cb 0.71 -0.11 -0.07 0.00 1.24 0.00 0.00 39.78 41.55 1ynj n ASN 78 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ynj s LEU 79 N 0.00 4.12 0.00 1.20 1.02 -1.26 -4.67 118.68 119.10 1ynj s LEU 79 Ca 0.00 0.60 -0.00 0.00 0.02 0.00 0.00 54.13 54.75 1ynj s LEU 79 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.56 1ynj s LEU 79 CO 0.00 -0.18 0.00 0.52 0.02 0.00 0.00 176.35 176.71 1ynj n VAL 80 N 4.66 -3.19 -2.16 -1.59 0.31 -1.26 -4.73 118.33 110.37 1ynj n VAL 80 Ca -0.05 0.32 -0.38 0.00 -0.01 0.00 0.00 64.34 64.22 1ynj n VAL 80 Cb 0.50 -3.33 -0.00 0.00 -0.91 0.00 0.00 33.84 30.10 1ynj n VAL 80 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1ynj s PRO 81 N -1.83 3.70 0.55 5.55 0.02 -1.26 -4.81 135.00 136.91 1ynj s PRO 81 Ca -0.00 1.89 0.23 0.00 0.02 0.00 0.00 61.00 63.14 1ynj s PRO 81 Cb 0.00 -2.44 1.47 0.00 0.02 0.00 0.00 34.50 33.55 1ynj s PRO 81 CO 0.00 -0.63 2.13 1.05 -0.33 0.00 0.00 177.00 179.22 1ynj h GLU 82 N 2.06 0.00 -0.46 5.54 9.09 -1.96 0.07 114.58 128.92 1ynj h GLU 82 Ca -0.50 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.81 1ynj h GLU 82 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1ynj h GLU 82 CO 0.60 0.00 -0.14 0.38 0.05 0.00 0.00 179.01 179.90 1ynj h ASP 83 N 0.00 0.87 0.58 3.06 3.04 -2.02 -2.96 116.42 118.99 1ynj h ASP 83 Ca 0.07 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 1ynj h ASP 83 Cb 0.29 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 1ynj h ASP 83 CO -0.00 1.01 -0.48 0.54 -2.04 0.00 0.00 179.24 178.27 1ynj n ARG 84 N -4.14 0.03 0.05 4.15 1.74 -0.15 -4.00 116.66 114.34 1ynj n ARG 84 Ca 0.01 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 1ynj n ARG 84 Cb 0.40 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1ynj n ARG 84 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ynj h LEU 85 N 0.00 0.72 -0.12 0.55 3.38 -0.94 -3.06 115.31 115.85 1ynj h LEU 85 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1ynj h LEU 85 Cb 0.53 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ynj h LEU 85 CO 0.00 1.34 -0.16 0.00 0.09 0.00 0.00 178.44 179.71 1ynj n GLN 86 N -3.82 0.36 0.00 1.13 10.64 -1.21 -3.97 117.38 120.50 1ynj n GLN 86 Ca -0.08 -0.12 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 1ynj n GLN 86 Cb 0.83 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.71 1ynj n GLN 86 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1ynj n LYS 87 N -1.21 0.00 0.00 2.61 4.76 -1.15 -3.91 118.16 119.26 1ynj n LYS 87 Ca 0.11 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.57 1ynj n LYS 87 Cb 0.30 -0.46 0.15 0.00 -1.84 0.00 0.00 35.03 33.18 1ynj n LYS 87 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ynj n GLU 88 N -0.14 0.25 0.19 1.97 0.00 -1.25 -2.90 120.64 118.77 1ynj n GLU 88 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1ynj n GLU 88 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 31.44 30.08 1ynj n GLU 88 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 1ynj h MET 89 N 0.00 -0.53 -4.42 3.44 -1.53 -1.69 -3.36 114.93 106.84 1ynj h MET 89 Ca 0.00 0.04 -0.66 0.00 -3.44 0.00 0.00 59.70 55.63 1ynj h MET 89 Cb 0.00 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 1ynj h MET 89 CO 0.00 -0.31 2.63 0.39 0.14 0.00 0.00 176.91 179.77 1ynj n GLU 90 N -5.15 2.31 0.03 0.39 1.02 -1.14 -4.25 120.64 113.85 1ynj n GLU 90 Ca -0.08 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.69 1ynj n GLU 90 Cb 0.24 -3.19 0.00 0.00 -0.02 0.00 0.00 31.44 28.47 1ynj n GLU 90 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1ynj n ARG 91 N 6.75 0.00 -2.19 3.49 0.00 -1.26 -4.88 116.66 118.58 1ynj n ARG 91 Ca 0.50 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 58.00 1ynj n ARG 91 Cb 0.41 -0.01 -0.04 0.00 -0.00 0.00 0.00 32.46 32.82 1ynj n ARG 91 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ynj n LEU 92 N -2.73 3.99 -3.27 2.89 4.77 -1.26 -4.27 117.00 117.13 1ynj n LEU 92 Ca 0.00 -3.48 -0.15 0.00 -0.03 0.00 0.00 56.01 52.35 1ynj n LEU 92 Cb 0.00 -1.70 0.01 0.00 -2.33 0.00 0.00 43.42 39.40 1ynj n LEU 92 CO 0.00 -0.88 0.02 0.00 -1.33 0.00 0.00 177.39 175.20 1ynj n TYR 93 N 11.39 -2.83 -0.10 -1.77 9.36 -1.26 -5.01 117.16 126.94 1ynj n TYR 93 Ca 0.47 1.13 -0.19 0.00 3.32 0.00 0.00 57.90 62.63 1ynj n TYR 93 Cb 0.46 -3.36 -0.09 0.00 -0.63 0.00 0.00 39.34 35.72 1ynj n TYR 93 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ynj n PRO 94 N -1.34 0.54 0.00 2.98 -0.04 -1.26 -4.74 135.00 131.14 1ynj n PRO 94 Ca -0.07 0.48 0.09 0.00 -0.04 0.00 0.00 63.50 63.96 1ynj n PRO 94 Cb 0.57 -1.67 0.51 0.00 -0.04 0.00 0.00 33.50 32.87 1ynj n PRO 94 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09