#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvj s THR 5 N 0.00 2.41 0.20 -5.08 -4.23 -1.26 -5.01 115.64 102.67 3dvj s THR 5 Ca 0.00 -0.72 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 3dvj s THR 5 Cb 0.00 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 3dvj s THR 5 CO 0.00 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 175.57 3dvj h GLU 6 N -0.09 0.67 -0.69 3.99 4.81 -2.06 -3.09 114.58 118.12 3dvj h GLU 6 Ca -0.38 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.49 3dvj h GLU 6 Cb 1.28 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 3dvj h GLU 6 CO 0.45 0.94 0.35 0.93 -0.73 0.00 0.00 179.01 180.96 3dvj h GLU 7 N 0.56 0.99 0.00 1.92 5.08 -2.00 -2.80 114.58 118.33 3dvj h GLU 7 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3dvj h GLU 7 Cb 0.91 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3dvj h GLU 7 CO 0.08 0.76 0.00 -0.56 -1.00 0.00 0.00 179.01 178.30 3dvj h GLN 8 N 0.96 0.00 -0.03 2.33 -0.00 -1.95 -1.89 115.11 114.54 3dvj h GLN 8 Ca 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.87 3dvj h GLN 8 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3dvj h GLN 8 CO -0.03 0.00 -0.08 0.82 -0.00 0.00 0.00 178.83 179.54 3dvj h ILE 9 N 0.00 1.45 0.00 1.86 2.04 -1.45 -1.93 117.51 119.49 3dvj h ILE 9 Ca 0.00 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 3dvj h ILE 9 Cb 0.79 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 3dvj h ILE 9 CO 0.00 0.39 -0.26 0.00 0.00 0.00 0.00 178.15 178.28 3dvj h ALA 10 N 0.43 1.48 0.42 1.87 0.00 -1.28 0.15 119.26 122.33 3dvj h ALA 10 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3dvj h ALA 10 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3dvj h ALA 10 CO 0.02 0.33 -0.20 1.05 0.00 0.00 0.00 179.25 180.44 3dvj h GLU 11 N 0.00 -0.54 -0.59 0.00 9.09 -1.39 -2.82 114.58 118.33 3dvj h GLU 11 Ca -0.00 0.04 0.12 0.00 0.05 0.00 0.00 59.36 59.56 3dvj h GLU 11 Cb 0.49 0.12 -0.11 0.00 -1.65 0.00 0.00 28.75 27.60 3dvj h GLU 11 CO 0.03 -0.23 -0.17 0.74 0.05 0.00 0.00 179.01 179.43 3dvj h PHE 12 N -0.95 -0.38 -0.48 2.06 0.04 -0.98 0.15 116.94 116.39 3dvj h PHE 12 Ca -0.06 0.06 0.10 0.00 2.80 0.00 0.00 57.97 60.87 3dvj h PHE 12 Cb 0.56 0.26 -0.10 0.00 2.20 0.00 0.00 35.95 38.87 3dvj h PHE 12 CO 0.02 -0.28 -0.20 0.87 -0.60 0.00 0.00 178.31 178.12 3dvj h LYS 13 N -0.02 -0.09 0.00 1.51 6.56 -0.72 0.82 116.57 124.63 3dvj h LYS 13 Ca 0.28 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.77 3dvj h LYS 13 Cb 0.46 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 3dvj h LYS 13 CO -0.62 -0.06 -0.53 0.93 -2.06 0.00 0.00 179.45 177.11 3dvj h GLU 14 N -0.09 0.00 0.71 3.15 5.08 -1.12 0.10 114.58 122.40 3dvj h GLU 14 Ca 0.23 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3dvj h GLU 14 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3dvj h GLU 14 CO -0.54 0.53 -0.39 0.00 -1.00 0.00 0.00 179.01 177.60 3dvj h ALA 15 N 1.47 -1.03 -1.00 3.43 0.00 0.21 0.08 119.26 122.42 3dvj h ALA 15 Ca -0.01 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.89 3dvj h ALA 15 Cb 1.04 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 3dvj h ALA 15 CO 0.07 -1.09 0.61 0.35 0.00 0.00 0.00 179.25 179.19 3dvj h PHE 16 N -1.02 1.01 0.00 0.00 3.57 0.81 0.10 116.94 121.42 3dvj h PHE 16 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3dvj h PHE 16 Cb 0.80 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3dvj h PHE 16 CO -0.06 0.21 0.00 1.03 -2.23 0.00 0.00 178.31 177.26 3dvj h SER 17 N 0.71 0.00 -0.17 0.41 0.87 -0.27 0.12 113.55 115.22 3dvj h SER 17 Ca 0.58 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 61.05 3dvj h SER 17 Cb 0.97 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 3dvj h SER 17 CO -0.37 0.00 -0.14 -0.07 -0.53 0.00 0.00 176.83 175.72 3dvj h LEU 18 N 0.00 0.55 0.17 2.23 4.07 0.12 -3.16 115.31 119.28 3dvj h LEU 18 Ca 0.00 -0.15 -0.33 0.00 0.08 0.00 0.00 57.88 57.48 3dvj h LEU 18 Cb 0.57 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.17 3dvj h LEU 18 CO 0.00 0.71 -1.62 -0.26 -1.08 0.00 0.00 178.44 176.19 3dvj h PHE 19 N 0.51 0.65 0.00 1.13 0.04 -1.30 -3.39 116.94 114.58 3dvj h PHE 19 Ca 0.09 -0.48 -0.50 0.00 2.80 0.00 0.00 57.97 59.88 3dvj h PHE 19 Cb 0.54 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 38.68 3dvj h PHE 19 CO 0.02 1.54 2.72 -3.47 -0.60 0.00 0.00 178.31 178.53 3dvj n ASP 20 N -3.55 7.02 -0.33 2.17 2.03 0.35 -4.72 116.55 119.52 3dvj n ASP 20 Ca -0.20 -2.47 0.12 0.00 0.52 0.00 0.00 54.79 52.77 3dvj n ASP 20 Cb 1.07 -1.39 0.26 0.00 -0.72 0.00 0.00 41.12 40.34 3dvj n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3dvj h LYS 21 N 4.98 0.04 -0.11 -0.67 1.79 -1.77 0.32 116.57 121.14 3dvj h LYS 21 Ca 0.64 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.11 3dvj h LYS 21 Cb 0.47 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3dvj h LYS 21 CO 1.40 0.02 0.00 -0.40 -1.08 0.00 0.00 179.45 179.39 3dvj n ASP 22 N -5.45 1.36 0.00 0.86 5.75 -1.26 -4.92 116.55 112.88 3dvj n ASP 22 Ca 0.21 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 3dvj n ASP 22 Cb 0.69 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3dvj n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dvj n GLY 23 N 1.09 0.29 0.00 6.12 0.00 0.11 -4.86 105.19 107.94 3dvj n GLY 23 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3dvj n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dvj n ASP 24 N -0.27 0.00 -0.07 1.61 5.75 -1.26 -4.83 116.55 117.47 3dvj n ASP 24 Ca 0.00 -1.11 -0.01 0.00 -0.01 0.00 0.00 54.79 53.66 3dvj n ASP 24 Cb 0.14 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3dvj n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dvj n GLY 25 N 0.21 0.47 3.11 6.12 0.00 -1.26 -5.03 105.19 108.81 3dvj n GLY 25 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3dvj n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dvj s THR 26 N -1.90 0.13 -0.35 2.61 -4.23 -1.26 -4.52 115.64 106.12 3dvj s THR 26 Ca 0.00 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 3dvj s THR 26 Cb 0.00 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 73.05 3dvj s THR 26 CO 0.00 -0.58 0.15 -0.63 -0.54 0.00 0.00 174.62 173.02 3dvj s ILE 27 N -2.44 4.10 0.79 2.99 1.01 0.04 -4.73 121.20 122.97 3dvj s ILE 27 Ca -0.06 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 3dvj s ILE 27 Cb -0.02 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.21 3dvj s ILE 27 CO -0.04 -0.20 1.16 0.42 0.00 0.00 0.00 174.94 176.28 3dvj s THR 28 N 1.46 2.33 0.34 2.92 -4.23 -1.26 -2.05 115.64 115.16 3dvj s THR 28 Ca -0.00 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.68 3dvj s THR 28 Cb -0.19 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.85 3dvj s THR 28 CO 0.04 -0.14 1.89 0.71 -0.54 0.00 0.00 174.62 176.58 3dvj h THR 29 N -0.98 0.92 -0.20 3.99 1.35 -1.92 -2.01 112.91 114.05 3dvj h THR 29 Ca -0.46 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 3dvj h THR 29 Cb 1.31 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3dvj h THR 29 CO 0.65 0.14 0.04 0.11 -0.25 0.00 0.00 175.52 176.21 3dvj h LYS 30 N 0.79 0.28 0.01 4.72 1.57 -1.99 0.21 116.57 122.15 3dvj h LYS 30 Ca 0.41 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 59.03 3dvj h LYS 30 Cb 0.52 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.79 3dvj h LYS 30 CO -0.18 0.27 -0.53 0.93 -0.57 0.00 0.00 179.45 179.37 3dvj h GLU 31 N 0.28 0.33 -0.41 3.15 5.08 -1.70 -1.65 114.58 119.65 3dvj h GLU 31 Ca 0.07 -0.38 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3dvj h GLU 31 Cb 0.13 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 3dvj h GLU 31 CO -0.00 1.07 0.03 -0.07 -1.00 0.00 0.00 179.01 179.05 3dvj h LEU 32 N -0.25 -0.09 -0.57 1.33 3.38 -1.08 0.18 115.31 118.20 3dvj h LEU 32 Ca -0.07 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.09 3dvj h LEU 32 Cb 1.27 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.08 3dvj h LEU 32 CO 0.10 -0.01 0.10 1.23 0.09 0.00 0.00 178.44 179.95 3dvj h GLY 33 N 0.15 0.70 0.96 0.83 0.00 -0.56 0.17 103.07 105.33 3dvj h GLY 33 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3dvj h GLY 33 CO -0.30 -0.11 0.21 -0.84 0.00 0.00 0.00 176.54 175.49 3dvj h THR 34 N 0.23 1.20 -0.45 4.70 2.02 -0.16 -0.84 112.91 119.61 3dvj h THR 34 Ca 0.30 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3dvj h THR 34 Cb 0.44 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3dvj h THR 34 CO -0.40 0.22 -0.12 0.58 0.37 0.00 0.00 175.52 176.18 3dvj h VAL 35 N 0.61 1.27 -0.96 3.16 2.07 -0.52 -1.41 116.25 120.47 3dvj h VAL 35 Ca 0.16 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3dvj h VAL 35 Cb 0.15 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 3dvj h VAL 35 CO -0.02 0.42 0.60 0.24 0.02 0.00 0.00 177.57 178.83 3dvj h MET 36 N 0.71 1.29 -0.25 1.57 2.86 -0.08 -1.36 114.93 119.67 3dvj h MET 36 Ca 0.11 -0.11 -0.16 0.00 -2.06 0.00 0.00 59.70 57.49 3dvj h MET 36 Cb 0.66 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3dvj h MET 36 CO 0.05 0.89 -0.46 0.00 1.06 0.00 0.00 176.91 178.44 3dvj h ARG 37 N 1.32 0.75 -0.03 1.72 3.08 -1.06 0.68 114.38 120.84 3dvj h ARG 37 Ca 0.35 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 59.93 3dvj h ARG 37 Cb -0.08 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3dvj h ARG 37 CO -0.07 1.10 0.08 0.66 -1.07 0.00 0.00 179.97 180.68 3dvj h SER 38 N 0.49 0.00 -0.51 7.04 4.64 -0.43 0.24 113.55 125.01 3dvj h SER 38 Ca 0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 3dvj h SER 38 Cb 1.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 3dvj h SER 38 CO 0.10 0.00 0.13 0.18 -0.87 0.00 0.00 176.83 176.37 3dvj n LEU 39 N -3.32 4.86 0.00 5.97 4.77 -0.56 -4.88 117.00 123.83 3dvj n LEU 39 Ca -0.02 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 3dvj n LEU 39 Cb 0.16 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3dvj n LEU 39 CO 0.22 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3dvj n GLY 40 N 0.15 0.41 3.98 -0.72 0.00 0.85 -4.99 105.19 104.86 3dvj n GLY 40 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.08 3dvj n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dvj s GLN 41 N -0.53 3.15 -0.44 1.61 -1.52 0.12 -4.98 119.66 117.07 3dvj s GLN 41 Ca 0.00 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.66 3dvj s GLN 41 Cb 0.00 -2.75 0.20 0.00 -0.22 0.00 0.00 33.01 30.25 3dvj s GLN 41 CO 0.00 0.01 0.44 -1.71 -0.25 0.00 0.00 175.29 173.78 3dvj n ASN 42 N -1.75 0.31 -4.81 5.90 5.15 -1.26 -3.58 115.26 115.21 3dvj n ASN 42 Ca -0.01 -2.62 -0.35 0.00 -0.60 0.00 0.00 54.58 51.00 3dvj n ASN 42 Cb 0.58 -0.61 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 3dvj n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dvj s PRO 43 N -0.67 4.28 0.56 1.20 0.04 -1.26 -5.05 135.00 134.10 3dvj s PRO 43 Ca 0.33 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 3dvj s PRO 43 Cb 0.09 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3dvj s PRO 43 CO -0.15 0.22 0.88 0.95 0.04 0.00 0.00 177.00 178.94 3dvj s THR 44 N -1.79 4.22 0.30 1.26 -4.23 -1.26 -4.89 115.64 109.26 3dvj s THR 44 Ca 0.51 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 61.27 3dvj s THR 44 Cb -0.14 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.35 3dvj s THR 44 CO 0.19 -0.69 1.72 1.05 -0.54 0.00 0.00 174.62 176.35 3dvj h GLU 45 N -0.06 0.50 -0.27 3.99 9.09 -2.00 -1.81 114.58 124.01 3dvj h GLU 45 Ca -0.46 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 58.75 3dvj h GLU 45 Cb 1.23 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3dvj h GLU 45 CO 0.61 0.33 -0.51 0.00 0.05 0.00 0.00 179.01 179.49 3dvj h ALA 46 N 1.71 0.58 0.08 1.06 0.00 -1.99 -1.32 119.26 119.38 3dvj h ALA 46 Ca 0.60 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dvj h ALA 46 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dvj h ALA 46 CO -0.49 0.68 -0.04 0.93 0.00 0.00 0.00 179.25 180.33 3dvj h GLU 47 N 0.60 -0.11 -0.49 0.00 5.08 -1.72 -1.09 114.58 116.85 3dvj h GLU 47 Ca 0.02 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3dvj h GLU 47 Cb 1.09 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.29 3dvj h GLU 47 CO 0.11 -0.07 0.03 -0.07 -1.00 0.00 0.00 179.01 178.01 3dvj h LEU 48 N -0.12 -0.16 0.00 1.33 3.38 -1.22 -0.52 115.31 118.01 3dvj h LEU 48 Ca -0.01 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3dvj h LEU 48 Cb 0.09 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3dvj h LEU 48 CO 0.02 -0.05 -0.10 1.56 0.09 0.00 0.00 178.44 179.96 3dvj h GLN 49 N 0.14 -0.16 -0.49 1.13 4.20 -0.81 -2.54 115.11 116.58 3dvj h GLN 49 Ca 0.25 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.07 3dvj h GLN 49 Cb 0.37 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 3dvj h GLN 49 CO -0.39 -0.11 -0.14 -0.44 -0.67 0.00 0.00 178.83 177.08 3dvj h ASP 50 N -0.17 -0.52 -0.72 1.46 3.32 -0.16 0.25 116.42 119.88 3dvj h ASP 50 Ca 0.04 0.15 0.15 0.00 0.02 0.00 0.00 57.03 57.39 3dvj h ASP 50 Cb 0.22 0.33 -0.14 0.00 0.22 0.00 0.00 39.33 39.95 3dvj h ASP 50 CO -0.10 -0.18 -0.17 0.24 -1.72 0.00 0.00 179.24 177.31 3dvj h MET 51 N -0.02 0.00 -0.05 3.56 2.86 -0.74 0.12 114.93 120.66 3dvj h MET 51 Ca 0.24 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 3dvj h MET 51 Cb 0.38 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3dvj h MET 51 CO -0.52 0.00 -0.28 0.82 1.06 0.00 0.00 176.91 177.99 3dvj h ILE 52 N 0.00 1.45 -1.15 -1.22 2.04 -0.77 -2.89 117.51 114.98 3dvj h ILE 52 Ca 0.35 -1.75 0.34 0.00 1.00 0.00 0.00 64.86 64.80 3dvj h ILE 52 Cb 0.53 2.43 -0.11 0.00 -0.74 0.00 0.00 36.82 38.94 3dvj h ILE 52 CO -0.74 0.49 0.73 -1.13 0.00 0.00 0.00 178.15 177.51 3dvj h ASN 53 N -0.27 0.37 0.56 1.72 -1.24 -0.27 0.20 115.58 116.65 3dvj h ASN 53 Ca -0.02 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 3dvj h ASN 53 Cb 0.95 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.06 3dvj h ASN 53 CO 0.06 -0.04 -0.27 -0.33 -1.29 0.00 0.00 177.43 175.55 3dvj h GLU 54 N 0.26 0.00 0.00 6.67 4.39 -0.54 -3.27 114.58 122.09 3dvj h GLU 54 Ca 0.70 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.40 3dvj h GLU 54 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 3dvj h GLU 54 CO -0.37 0.27 -0.16 1.33 -1.16 0.00 0.00 179.01 178.93 3dvj n VAL 55 N -3.72 0.86 -1.70 3.13 0.24 -0.48 -4.92 118.33 111.75 3dvj n VAL 55 Ca -0.01 -1.00 -0.41 0.00 -2.04 0.00 0.00 64.34 60.88 3dvj n VAL 55 Cb 0.38 0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 3dvj n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3dvj n ASP 56 N -0.61 4.89 -0.23 -1.34 4.64 0.58 -4.78 116.55 119.70 3dvj n ASP 56 Ca 0.06 -2.81 0.03 0.00 -1.38 0.00 0.00 54.79 50.69 3dvj n ASP 56 Cb 0.57 -1.63 0.15 0.00 -1.04 0.00 0.00 41.12 39.18 3dvj n ASP 56 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3dvj h ALA 57 N 5.78 0.87 -0.03 -1.67 0.00 -1.90 0.12 119.26 122.44 3dvj h ALA 57 Ca 0.62 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.67 3dvj h ALA 57 Cb 0.57 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dvj h ALA 57 CO 1.85 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.40 3dvj n ASP 58 N -5.12 0.50 -2.71 0.00 5.75 -1.26 -4.90 116.55 108.82 3dvj n ASP 58 Ca 0.12 -1.35 -0.12 0.00 -0.01 0.00 0.00 54.79 53.43 3dvj n ASP 58 Cb 0.39 -0.02 -0.01 0.00 -1.03 0.00 0.00 41.12 40.46 3dvj n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dvj n GLY 59 N 0.97 -0.49 0.89 6.12 0.00 0.41 -4.81 105.19 108.28 3dvj n GLY 59 Ca 0.18 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.32 3dvj n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dvj n ASN 60 N -1.85 2.63 0.00 1.61 6.94 -1.26 -4.94 115.26 118.39 3dvj n ASN 60 Ca -0.08 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 3dvj n ASN 60 Cb 0.56 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 3dvj n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dvj n GLY 61 N 1.32 1.68 3.25 4.83 0.00 -1.26 -5.00 105.19 110.01 3dvj n GLY 61 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3dvj n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dvj s THR 62 N -3.46 0.59 -0.20 2.61 -4.23 -1.26 -4.72 115.64 104.98 3dvj s THR 62 Ca 0.00 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 3dvj s THR 62 Cb 0.00 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 3dvj s THR 62 CO 0.00 -0.37 0.24 -0.63 -0.54 0.00 0.00 174.62 173.32 3dvj s ILE 63 N -3.72 5.33 0.52 2.99 -1.09 -0.87 -4.89 121.20 119.46 3dvj s ILE 63 Ca 0.27 0.40 0.08 0.00 -2.23 0.00 0.00 60.65 59.17 3dvj s ILE 63 Cb 0.07 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.42 3dvj s ILE 63 CO 0.06 0.37 0.71 1.51 -1.23 0.00 0.00 174.94 176.36 3dvj s ASP 64 N 0.69 5.30 0.09 3.58 1.47 -1.26 -0.78 116.67 125.77 3dvj s ASP 64 Ca 0.13 -0.59 -0.25 0.00 1.18 0.00 0.00 52.55 53.02 3dvj s ASP 64 Cb -0.13 -0.19 -0.09 0.00 -0.34 0.00 0.00 42.92 42.17 3dvj s ASP 64 CO 0.03 -1.12 1.41 0.15 0.68 0.00 0.00 175.17 176.32 3dvj h PHE 65 N 0.32 -1.26 -0.57 2.11 3.57 -1.99 0.22 116.94 119.34 3dvj h PHE 65 Ca -0.35 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.32 3dvj h PHE 65 Cb 1.28 0.58 -0.11 0.00 2.79 0.00 0.00 35.95 40.49 3dvj h PHE 65 CO 0.37 -0.39 -0.13 -1.35 -2.23 0.00 0.00 178.31 174.59 3dvj h PRO 66 N -0.36 0.01 -0.25 6.41 0.11 -1.99 0.16 132.00 136.09 3dvj h PRO 66 Ca 0.04 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 3dvj h PRO 66 Cb 0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3dvj h PRO 66 CO -0.40 0.01 -0.11 0.93 -0.21 0.00 0.00 178.00 178.22 3dvj h GLU 67 N 0.01 0.42 -0.05 1.05 5.08 -1.82 -1.45 114.58 117.81 3dvj h GLU 67 Ca 0.28 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3dvj h GLU 67 Cb 0.42 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3dvj h GLU 67 CO -0.58 0.54 -0.13 0.35 -1.00 0.00 0.00 179.01 178.19 3dvj h PHE 68 N 0.39 -0.33 -0.67 4.33 3.57 0.22 -1.50 116.94 122.95 3dvj h PHE 68 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3dvj h PHE 68 Cb 0.44 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3dvj h PHE 68 CO 0.01 -0.19 0.39 -0.07 -2.23 0.00 0.00 178.31 176.22 3dvj h LEU 69 N -0.20 0.80 -0.62 0.59 3.38 -0.66 -0.99 115.31 117.61 3dvj h LEU 69 Ca 0.06 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3dvj h LEU 69 Cb 0.28 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3dvj h LEU 69 CO -0.17 0.62 0.16 0.74 0.09 0.00 0.00 178.44 179.89 3dvj h THR 70 N 0.92 0.66 -0.78 0.22 2.02 -0.52 0.67 112.91 116.09 3dvj h THR 70 Ca 0.24 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.38 3dvj h THR 70 Cb -0.02 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 66.66 3dvj h THR 70 CO -0.04 0.05 0.46 0.24 0.37 0.00 0.00 175.52 176.60 3dvj h MET 71 N 0.30 0.81 0.00 6.66 2.86 -0.20 0.27 114.93 125.62 3dvj h MET 71 Ca 0.33 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3dvj h MET 71 Cb 0.48 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3dvj h MET 71 CO -0.39 0.54 -0.65 0.52 1.06 0.00 0.00 176.91 177.98 3dvj h MET 72 N 0.83 0.00 0.24 1.72 2.07 -0.99 -1.99 114.93 116.80 3dvj h MET 72 Ca 0.35 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.97 3dvj h MET 72 Cb 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 3dvj h MET 72 CO -0.19 0.65 -0.11 0.00 1.07 0.00 0.00 176.91 178.33 3dvj h ALA 73 N 1.35 -0.32 -0.18 6.32 0.00 0.15 -2.82 119.26 123.77 3dvj h ALA 73 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dvj h ALA 73 Cb 1.44 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3dvj h ALA 73 CO 0.08 -0.65 0.12 0.00 0.00 0.00 0.00 179.25 178.80 3dvj h ARG 74 N -0.38 0.24 0.00 0.00 3.08 -0.41 -1.80 114.38 115.13 3dvj h ARG 74 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dvj h ARG 74 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3dvj h ARG 74 CO 0.05 0.18 0.00 0.87 -1.07 0.00 0.00 179.97 180.01 3dvj h LYS 75 N 0.23 0.00 -1.00 0.04 1.57 -1.46 -1.20 116.57 114.75 3dvj h LYS 75 Ca 0.07 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dvj h LYS 75 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3dvj h LYS 75 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 3dvj n MET 76 N -2.73 1.02 -0.13 3.15 0.00 -0.68 -5.10 117.12 112.66 3dvj n MET 76 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 57.70 57.79 3dvj n MET 76 Cb 0.29 -1.45 0.16 0.00 0.00 0.00 0.00 33.22 32.22 3dvj n MET 76 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 3dvj n LYS 77 N 0.06 2.12 0.00 3.17 2.85 -0.46 -5.05 118.16 120.85 3dvj n LYS 77 Ca 0.00 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.29 3dvj n LYS 77 Cb 0.28 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 3dvj n LYS 77 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3dvj n GLU 82 N 1.14 0.00 -0.26 -1.58 4.71 -1.26 -5.09 120.64 118.29 3dvj n GLU 82 Ca 0.15 0.00 0.25 0.00 -0.01 0.00 0.00 57.16 57.54 3dvj n GLU 82 Cb 0.51 0.00 0.44 0.00 -1.01 0.00 0.00 31.44 31.37 3dvj n GLU 82 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3dvj n GLU 83 N 0.00 -0.04 0.25 3.49 4.71 -1.26 0.33 120.64 128.13 3dvj n GLU 83 Ca 0.00 0.93 0.13 0.00 -0.01 0.00 0.00 57.16 58.21 3dvj n GLU 83 Cb 0.00 -1.74 0.66 0.00 -1.01 0.00 0.00 31.44 29.35 3dvj n GLU 83 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3dvj h GLU 84 N 0.00 0.00 -0.10 3.49 5.08 -2.06 -3.10 114.58 117.89 3dvj h GLU 84 Ca 0.60 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.73 3dvj h GLU 84 Cb 1.73 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.00 3dvj h GLU 84 CO -0.46 0.14 -0.86 0.82 -1.00 0.00 0.00 179.01 177.65 3dvj h ILE 85 N 0.00 1.28 -0.40 3.13 2.04 0.50 -2.67 117.51 121.40 3dvj h ILE 85 Ca -0.00 -2.06 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3dvj h ILE 85 Cb 0.46 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3dvj h ILE 85 CO 0.02 0.65 0.25 -0.09 0.00 0.00 0.00 178.15 178.98 3dvj h ARG 86 N 0.47 0.53 -0.76 2.37 9.65 -1.44 -0.68 114.38 124.52 3dvj h ARG 86 Ca -0.08 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3dvj h ARG 86 Cb 1.50 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.93 3dvj h ARG 86 CO 0.17 0.38 0.42 0.93 2.80 0.00 0.00 179.97 184.68 3dvj h GLU 87 N 0.53 1.06 -0.42 0.20 5.08 -1.54 0.16 114.58 119.65 3dvj h GLU 87 Ca 0.14 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3dvj h GLU 87 Cb -0.03 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 3dvj h GLU 87 CO -0.03 0.78 0.22 0.00 -1.00 0.00 0.00 179.01 178.99 3dvj h ALA 88 N 1.22 0.53 -0.46 3.43 0.00 -1.23 -2.88 119.26 119.88 3dvj h ALA 88 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dvj h ALA 88 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3dvj h ALA 88 CO -0.04 -0.12 0.28 0.35 0.00 0.00 0.00 179.25 179.71 3dvj h PHE 89 N 0.45 0.60 0.00 0.00 3.57 -0.30 -1.68 116.94 119.59 3dvj h PHE 89 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3dvj h PHE 89 Cb 0.06 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3dvj h PHE 89 CO -0.09 0.42 0.00 0.54 -2.23 0.00 0.00 178.31 176.95 3dvj n ARG 90 N -4.73 0.14 0.14 1.11 1.74 0.49 -0.54 116.66 115.02 3dvj n ARG 90 Ca 0.01 0.52 0.01 0.00 -0.77 0.00 0.00 57.85 57.62 3dvj n ARG 90 Cb 0.05 -1.85 0.14 0.00 -1.02 0.00 0.00 32.46 29.79 3dvj n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dvj h VAL 91 N 0.00 1.14 0.05 1.55 2.07 -1.09 -3.30 116.25 116.66 3dvj h VAL 91 Ca 0.00 -2.18 -0.36 0.00 0.82 0.00 0.00 66.70 64.98 3dvj h VAL 91 Cb 0.15 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 3dvj h VAL 91 CO 0.00 0.56 -2.14 0.49 0.02 0.00 0.00 177.57 176.50 3dvj n PHE 92 N -3.47 0.68 -1.89 1.57 3.72 0.30 -4.58 117.46 113.80 3dvj n PHE 92 Ca 0.00 0.17 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 3dvj n PHE 92 Cb 0.67 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 3dvj n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dvj n ASP 93 N -3.24 4.17 0.19 4.37 2.03 -0.28 -4.69 116.55 119.09 3dvj n ASP 93 Ca -0.33 -2.90 0.13 0.00 0.52 0.00 0.00 54.79 52.20 3dvj n ASP 93 Cb 1.05 -1.62 0.69 0.00 -0.72 0.00 0.00 41.12 40.52 3dvj n ASP 93 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3dvj h LYS 94 N 5.97 0.00 -0.23 -0.67 2.10 -1.81 0.18 116.57 122.11 3dvj h LYS 94 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 3dvj h LYS 94 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3dvj h LYS 94 CO 1.82 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 178.87 3dvj n ASP 95 N -4.37 2.95 -0.45 7.07 5.68 -1.26 -4.96 116.55 121.20 3dvj n ASP 95 Ca 0.01 -1.87 -0.06 0.00 -0.50 0.00 0.00 54.79 52.37 3dvj n ASP 95 Cb 0.25 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.05 3dvj n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dvj n GLY 96 N 1.13 0.68 0.00 6.12 0.00 0.64 -4.85 105.19 108.91 3dvj n GLY 96 Ca 0.14 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.16 3dvj n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dvj n ASN 97 N -0.65 0.00 0.00 1.61 6.94 -1.26 -4.84 115.26 117.06 3dvj n ASN 97 Ca -0.06 -0.41 0.00 0.00 -0.02 0.00 0.00 54.58 54.09 3dvj n ASN 97 Cb 0.42 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 3dvj n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dvj n GLY 98 N 0.36 0.76 2.90 4.83 0.00 -1.26 -5.04 105.19 107.74 3dvj n GLY 98 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3dvj n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dvj s TYR 99 N -2.31 0.58 -0.30 1.61 2.02 -1.26 -3.58 117.35 114.10 3dvj s TYR 99 Ca 0.00 -0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 56.38 3dvj s TYR 99 Cb 0.00 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 41.04 3dvj s TYR 99 CO 0.00 -0.13 0.60 0.42 -1.57 0.00 0.00 175.55 174.88 3dvj s ILE 100 N 0.65 4.96 0.75 2.71 1.01 0.21 -4.84 121.20 126.65 3dvj s ILE 100 Ca -0.08 0.82 -0.07 0.00 0.00 0.00 0.00 60.65 61.32 3dvj s ILE 100 Cb -0.11 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.55 3dvj s ILE 100 CO -0.00 -0.11 1.02 -1.54 0.00 0.00 0.00 174.94 174.31 3dvj n SER 101 N 5.81 0.67 -0.13 3.58 3.41 -1.26 -1.86 113.62 123.85 3dvj n SER 101 Ca -0.02 -1.73 -0.13 0.00 -0.26 0.00 0.00 58.87 56.74 3dvj n SER 101 Cb 0.49 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.69 3dvj n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dvj h ALA 102 N -1.17 0.57 -0.13 7.33 0.00 -1.95 -2.29 119.26 121.62 3dvj h ALA 102 Ca -0.33 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.18 3dvj h ALA 102 Cb 1.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3dvj h ALA 102 CO 0.29 0.61 -0.03 0.00 0.00 0.00 0.00 179.25 180.12 3dvj h ALA 103 N 0.79 0.09 -0.65 0.00 0.00 -1.98 0.91 119.26 118.42 3dvj h ALA 103 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dvj h ALA 103 Cb 0.88 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3dvj h ALA 103 CO 0.08 -0.48 0.42 0.93 0.00 0.00 0.00 179.25 180.20 3dvj h GLU 104 N 0.00 0.86 -0.23 0.00 5.08 -1.87 0.44 114.58 118.86 3dvj h GLU 104 Ca 0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3dvj h GLU 104 Cb 0.09 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3dvj h GLU 104 CO -0.13 0.57 -0.02 1.25 -1.00 0.00 0.00 179.01 179.69 3dvj h LEU 105 N 0.88 0.41 -0.67 1.33 5.85 -0.53 -1.94 115.31 120.63 3dvj h LEU 105 Ca 0.24 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3dvj h LEU 105 Cb -0.09 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3dvj h LEU 105 CO -0.05 0.64 0.38 -0.09 -0.34 0.00 0.00 178.44 178.98 3dvj h ARG 106 N 0.17 0.68 -0.72 1.25 2.43 0.14 -0.26 114.38 118.07 3dvj h ARG 106 Ca 0.06 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3dvj h ARG 106 Cb 0.44 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3dvj h ARG 106 CO 0.01 0.45 0.19 1.25 -1.51 0.00 0.00 179.97 180.37 3dvj h HIS 107 N 0.70 1.20 -0.29 2.20 2.76 0.01 -0.69 115.15 121.05 3dvj h HIS 107 Ca 0.30 -0.14 -0.14 0.00 -2.20 0.00 0.00 60.37 58.20 3dvj h HIS 107 Cb 0.17 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3dvj h HIS 107 CO -0.07 0.96 -0.39 0.28 -1.30 0.00 0.00 177.93 177.41 3dvj h VAL 108 N 1.08 1.29 -0.50 5.26 2.07 -0.72 -0.63 116.25 124.11 3dvj h VAL 108 Ca 0.23 -1.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.12 3dvj h VAL 108 Cb 0.35 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3dvj h VAL 108 CO -0.00 0.50 -0.02 0.24 0.02 0.00 0.00 177.57 178.31 3dvj h MET 109 N 0.55 0.84 -0.02 1.57 2.07 -0.61 -2.41 114.93 116.92 3dvj h MET 109 Ca 0.05 -0.24 -0.15 0.00 -2.07 0.00 0.00 59.70 57.29 3dvj h MET 109 Cb 0.91 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.54 3dvj h MET 109 CO 0.08 0.86 -0.66 1.15 1.07 0.00 0.00 176.91 179.41 3dvj h THR 110 N 0.78 1.44 0.00 2.22 2.02 -0.88 -0.52 112.91 117.97 3dvj h THR 110 Ca 0.15 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.13 3dvj h THR 110 Cb 0.50 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3dvj h THR 110 CO 0.02 0.63 0.00 -1.13 0.37 0.00 0.00 175.52 175.42 3dvj h ASN 111 N 0.07 0.00 -0.50 4.18 -1.24 -0.78 -0.59 115.58 116.72 3dvj h ASN 111 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3dvj h ASN 111 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3dvj h ASN 111 CO 0.09 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.41 3dvj n LEU 112 N -2.86 4.46 -0.50 0.34 4.77 -0.35 -4.85 117.00 118.01 3dvj n LEU 112 Ca 0.02 -2.26 -0.06 0.00 -0.03 0.00 0.00 56.01 53.68 3dvj n LEU 112 Cb 0.33 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3dvj n LEU 112 CO 0.27 0.62 -0.06 0.61 -1.33 0.00 0.00 177.39 177.49 3dvj n GLY 113 N 0.74 0.86 3.75 -0.72 0.00 -0.23 -4.97 105.19 104.62 3dvj n GLY 113 Ca 0.22 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 3dvj n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dvj s GLU 114 N -2.58 4.66 -0.26 1.61 0.41 -0.36 -4.98 118.70 117.19 3dvj s GLU 114 Ca 0.00 1.29 -0.06 0.00 -0.41 0.00 0.00 54.97 55.79 3dvj s GLU 114 Cb 0.00 -3.31 -0.00 0.00 -1.78 0.00 0.00 34.13 29.04 3dvj s GLU 114 CO 0.00 0.43 0.04 -1.59 -0.49 0.00 0.00 175.26 173.65 3dvj s LYS 115 N -0.73 3.25 -0.02 1.61 -2.85 -1.26 -4.03 119.74 115.70 3dvj s LYS 115 Ca 0.40 -0.74 0.05 0.00 -1.00 0.00 0.00 55.97 54.68 3dvj s LYS 115 Cb -0.23 -3.24 -0.01 0.00 -2.06 0.00 0.00 37.83 32.28 3dvj s LYS 115 CO 0.28 -0.33 -0.16 -0.51 0.10 0.00 0.00 175.35 174.73 3dvj s LEU 116 N 1.50 1.99 0.49 2.77 1.43 -1.26 -5.13 118.68 120.47 3dvj s LEU 116 Ca 0.04 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.64 3dvj s LEU 116 Cb -0.16 -0.84 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 3dvj s LEU 116 CO 0.01 0.18 1.04 0.42 0.23 0.00 0.00 176.35 178.23 3dvj s THR 117 N -0.25 3.78 0.28 5.49 -4.23 -1.26 -4.89 115.64 114.56 3dvj s THR 117 Ca 0.03 1.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.66 3dvj s THR 117 Cb -0.07 -3.45 0.27 0.00 1.34 0.00 0.00 72.50 70.59 3dvj s THR 117 CO 0.00 -0.24 1.69 0.44 -0.54 0.00 0.00 174.62 175.97 3dvj h ASP 118 N 1.57 0.20 -0.16 3.99 3.45 -2.01 -0.57 116.42 122.89 3dvj h ASP 118 Ca -0.49 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.07 3dvj h ASP 118 Cb 1.22 0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 40.14 3dvj h ASP 118 CO 0.59 -0.02 -0.02 -0.08 -1.57 0.00 0.00 179.24 178.13 3dvj h GLU 119 N 0.35 0.43 -0.30 3.56 4.57 -1.99 -2.52 114.58 118.67 3dvj h GLU 119 Ca 0.51 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.49 3dvj h GLU 119 Cb 0.95 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3dvj h GLU 119 CO -0.53 0.48 -0.28 0.93 -1.18 0.00 0.00 179.01 178.42 3dvj h GLU 120 N 0.41 0.62 0.00 1.92 5.08 -1.47 0.16 114.58 121.30 3dvj h GLU 120 Ca 0.09 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3dvj h GLU 120 Cb 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dvj h GLU 120 CO 0.01 0.83 -0.00 0.28 -1.00 0.00 0.00 179.01 179.13 3dvj h VAL 121 N 0.53 1.04 -0.99 3.13 2.07 -1.30 -2.51 116.25 118.22 3dvj h VAL 121 Ca 0.07 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3dvj h VAL 121 Cb 0.76 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3dvj h VAL 121 CO 0.06 0.03 0.65 0.44 0.02 0.00 0.00 177.57 178.78 3dvj h ASP 122 N -0.05 1.13 -0.71 0.57 3.32 -1.12 -0.68 116.42 118.86 3dvj h ASP 122 Ca -0.00 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3dvj h ASP 122 Cb 0.05 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3dvj h ASP 122 CO 0.00 0.81 0.45 -0.33 -1.72 0.00 0.00 179.24 178.45 3dvj h GLU 123 N 1.33 0.87 0.72 3.56 3.07 -0.83 0.17 114.58 123.47 3dvj h GLU 123 Ca 0.37 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.14 3dvj h GLU 123 Cb -0.13 -0.20 0.01 0.00 -0.84 0.00 0.00 28.75 27.59 3dvj h GLU 123 CO -0.09 0.57 -0.35 0.52 -1.40 0.00 0.00 179.01 178.27 3dvj h MET 124 N 0.89 -0.94 -0.94 2.33 2.86 -0.72 -1.09 114.93 117.33 3dvj h MET 124 Ca 0.28 0.06 0.28 0.00 -2.06 0.00 0.00 59.70 58.26 3dvj h MET 124 Cb -0.02 0.21 -0.16 0.00 0.06 0.00 0.00 31.60 31.69 3dvj h MET 124 CO -0.09 -0.62 0.21 0.82 1.06 0.00 0.00 176.91 178.29 3dvj h ILE 125 N -1.00 0.16 0.00 -1.22 1.08 -1.03 0.28 117.51 115.78 3dvj h ILE 125 Ca -0.10 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.28 3dvj h ILE 125 Cb 0.75 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3dvj h ILE 125 CO 0.16 0.02 -0.27 -0.09 -0.69 0.00 0.00 178.15 177.28 3dvj h ARG 126 N 0.10 0.00 0.00 2.37 2.43 0.48 0.23 114.38 119.99 3dvj h ARG 126 Ca 0.62 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3dvj h ARG 126 Cb 1.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3dvj h ARG 126 CO -0.77 0.27 -0.71 0.39 -1.51 0.00 0.00 179.97 177.64 3dvj n GLU 127 N -4.11 0.13 -0.06 0.20 1.02 0.04 -3.58 120.64 114.28 3dvj n GLU 127 Ca -0.02 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 3dvj n GLU 127 Cb 0.33 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 3dvj n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dvj n ALA 128 N -1.64 1.38 -2.06 0.62 0.00 -0.89 -4.91 120.51 113.01 3dvj n ALA 128 Ca 0.04 -0.96 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 3dvj n ALA 128 Cb 0.38 -0.51 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 3dvj n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dvj s ASP 129 N -6.13 6.47 -0.22 0.00 2.15 0.04 -4.83 116.67 114.15 3dvj s ASP 129 Ca -0.13 1.86 -0.19 0.00 0.43 0.00 0.00 52.55 54.52 3dvj s ASP 129 Cb 0.07 -2.53 -0.18 0.00 -0.30 0.00 0.00 42.92 39.98 3dvj s ASP 129 CO 0.79 -1.14 0.10 -0.38 -0.17 0.00 0.00 175.17 174.36 3dvj n ILE 130 N 6.08 1.55 0.69 4.11 5.41 -1.26 -4.53 119.36 131.40 3dvj n ILE 130 Ca 0.18 -0.15 0.13 0.00 1.00 0.00 0.00 62.75 63.92 3dvj n ILE 130 Cb 0.44 -1.98 0.35 0.00 -0.71 0.00 0.00 39.64 37.75 3dvj n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 3dvj n ASP 131 N -4.32 0.65 0.00 4.38 5.68 -1.26 -4.94 116.55 116.74 3dvj n ASP 131 Ca -0.37 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 3dvj n ASP 131 Cb 0.75 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3dvj n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dvj n GLY 132 N 1.36 0.65 0.05 6.12 0.00 -1.26 -4.91 105.19 107.20 3dvj n GLY 132 Ca 0.05 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3dvj n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dvj n ASP 133 N 0.68 0.15 -0.01 1.61 5.75 -1.26 -4.87 116.55 118.59 3dvj n ASP 133 Ca 0.00 -1.30 -0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3dvj n ASP 133 Cb 0.00 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.08 3dvj n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dvj n GLY 134 N 0.89 0.48 3.25 6.12 0.00 -1.26 -5.02 105.19 109.65 3dvj n GLY 134 Ca 0.18 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3dvj n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dvj s GLN 135 N -0.28 1.12 -0.27 1.61 -0.21 -1.26 -4.70 119.66 115.66 3dvj s GLN 135 Ca 0.00 -1.53 -0.10 0.00 0.02 0.00 0.00 55.36 53.76 3dvj s GLN 135 Cb 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 3dvj s GLN 135 CO 0.00 -0.09 0.14 0.08 -2.12 0.00 0.00 175.29 173.30 3dvj s VAL 136 N -3.58 4.92 0.64 1.09 1.01 -0.78 -4.68 120.40 119.03 3dvj s VAL 136 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.25 3dvj s VAL 136 Cb 0.05 -3.33 0.09 0.00 0.00 0.00 0.00 36.38 33.19 3dvj s VAL 136 CO 0.03 0.28 0.89 0.54 0.00 0.00 0.00 175.10 176.84 3dvj s ASN 137 N 1.70 4.77 0.15 3.32 2.20 -1.26 0.64 114.94 126.46 3dvj s ASN 137 Ca 0.07 -0.33 -0.19 0.00 -0.94 0.00 0.00 52.86 51.47 3dvj s ASN 137 Cb -0.16 -0.25 0.03 0.00 -2.00 0.00 0.00 41.25 38.87 3dvj s ASN 137 CO 0.08 -1.54 1.68 0.22 -2.94 0.00 0.00 177.10 174.60 3dvj h TYR 138 N -0.21 -0.24 -0.42 1.54 3.20 -1.99 0.55 116.97 119.40 3dvj h TYR 138 Ca -0.37 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.50 3dvj h TYR 138 Cb 1.28 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.68 3dvj h TYR 138 CO 0.08 -0.16 0.15 0.93 -1.64 0.00 0.00 178.16 177.51 3dvj h GLU 139 N -0.06 0.60 -0.06 1.82 3.07 -1.94 0.41 114.58 118.43 3dvj h GLU 139 Ca 0.14 -0.09 -0.21 0.00 -0.50 0.00 0.00 59.36 58.70 3dvj h GLU 139 Cb 0.26 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3dvj h GLU 139 CO -0.31 0.52 -0.83 0.93 -1.40 0.00 0.00 179.01 177.92 3dvj h GLU 140 N 0.60 0.47 -0.71 2.33 5.08 -1.77 -2.72 114.58 117.86 3dvj h GLU 140 Ca 0.14 -0.43 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3dvj h GLU 140 Cb 0.16 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3dvj h GLU 140 CO -0.01 1.08 0.43 0.35 -1.00 0.00 0.00 179.01 179.86 3dvj h PHE 141 N 0.30 0.81 -0.50 4.33 3.57 0.18 -2.68 116.94 122.95 3dvj h PHE 141 Ca -0.06 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.56 3dvj h PHE 141 Cb 1.44 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.84 3dvj h PHE 141 CO 0.06 0.44 0.07 0.28 -2.23 0.00 0.00 178.31 176.93 3dvj h VAL 142 N 0.83 0.69 -0.70 1.41 2.07 -0.08 -1.75 116.25 118.72 3dvj h VAL 142 Ca 0.30 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 3dvj h VAL 142 Cb 0.07 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3dvj h VAL 142 CO -0.13 0.04 0.34 1.56 0.02 0.00 0.00 177.57 179.39 3dvj h GLN 143 N 0.20 1.00 0.00 1.57 1.08 -1.27 -0.06 115.11 117.63 3dvj h GLN 143 Ca 0.25 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.24 3dvj h GLN 143 Cb 0.35 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3dvj h GLN 143 CO -0.35 0.77 -0.35 1.98 -0.95 0.00 0.00 178.83 179.93 3dvj h MET 144 N 1.00 0.00 -0.18 1.46 4.05 -1.15 -1.59 114.93 118.52 3dvj h MET 144 Ca 0.24 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 3dvj h MET 144 Cb 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3dvj h MET 144 CO -0.03 0.35 0.00 -1.33 0.23 0.00 0.00 176.91 176.13 3dvj n MET 145 N -3.81 1.59 -0.00 0.39 2.81 -0.10 -3.40 117.12 114.59 3dvj n MET 145 Ca -0.01 -0.90 0.03 0.00 -1.81 0.00 0.00 57.70 55.01 3dvj n MET 145 Cb 0.43 -1.32 -0.04 0.00 -0.71 0.00 0.00 33.22 31.58 3dvj n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3dvj n THR 146 N 0.15 0.00 -0.22 2.03 -1.04 -0.77 -5.05 114.28 109.37 3dvj n THR 146 Ca 0.13 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3dvj n THR 146 Cb 0.26 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 3dvj n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43