#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dll n LYS 2 N 0.00 0.00 0.00 3.17 2.85 -1.26 -4.73 118.16 118.19 3dll n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3dll n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3dll n LYS 2 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3dll n PRO 3 N 0.00 0.00 -0.05 -1.58 -0.05 -1.26 -4.91 135.00 127.15 3dll n PRO 3 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 63.24 3dll n PRO 3 Cb 0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 33.50 33.33 3dll n PRO 3 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 3dll h SER 4 N 0.00 0.18 0.00 3.54 0.02 -2.02 -3.21 113.55 112.07 3dll h SER 4 Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 3dll h SER 4 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3dll h SER 4 CO 0.00 1.57 0.00 -0.62 -1.14 0.00 0.00 176.83 176.64 3dll n GLU 5 N -4.12 0.30 -0.07 3.45 1.02 -1.26 0.25 120.64 120.21 3dll n GLU 5 Ca -0.29 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.78 3dll n GLU 5 Cb 0.80 -1.07 -0.02 0.00 -0.02 0.00 0.00 31.44 31.12 3dll n GLU 5 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3dll n MET 6 N -0.09 0.45 0.24 3.49 1.56 -1.21 -4.44 117.12 117.12 3dll n MET 6 Ca 0.00 0.25 0.13 0.00 -0.27 0.00 0.00 57.70 57.82 3dll n MET 6 Cb 0.04 -1.37 0.45 0.00 2.15 0.00 0.00 33.22 34.48 3dll n MET 6 CO 0.00 0.00 0.00 0.07 -0.73 0.00 0.00 175.97 175.31 3dll h ARG 7 N -0.88 0.00 0.00 2.12 -0.00 0.12 -3.37 114.38 112.38 3dll h ARG 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 3dll h ARG 7 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.75 3dll h ARG 7 CO 0.00 0.08 0.00 -1.71 -0.00 0.00 0.00 179.97 178.34 3dll n ASN 8 N -3.16 0.00 -4.10 0.08 5.15 0.69 -4.61 115.26 109.30 3dll n ASN 8 Ca 0.02 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 3dll n ASN 8 Cb 0.42 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.58 3dll n ASN 8 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3dll s LEU 9 N -0.14 1.71 0.18 1.20 1.43 -1.26 -5.01 118.68 116.79 3dll s LEU 9 Ca 0.00 -1.11 -0.33 0.00 -1.03 0.00 0.00 54.13 51.66 3dll s LEU 9 Cb 0.00 0.46 -0.13 0.00 0.03 0.00 0.00 46.19 46.55 3dll s LEU 9 CO 0.00 -0.74 1.60 0.00 0.23 0.00 0.00 176.35 177.44 3dll n GLN 10 N -0.09 2.29 -0.01 1.70 10.64 -1.26 -4.77 117.38 125.88 3dll n GLN 10 Ca -0.07 0.83 0.19 0.00 -1.83 0.00 0.00 57.00 56.11 3dll n GLN 10 Cb 0.63 -2.61 0.36 0.00 -0.86 0.00 0.00 30.24 27.76 3dll n GLN 10 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3dll h ALA 11 N 6.03 2.56 -0.81 2.61 0.00 -2.00 4.17 119.26 131.81 3dll h ALA 11 Ca -0.45 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.55 3dll h ALA 11 Cb 1.24 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 3dll h ALA 11 CO 0.90 -1.39 0.44 1.79 0.00 0.00 0.00 179.25 180.99 3dll h THR 12 N 0.00 0.84 -0.39 0.00 1.35 -2.01 -1.46 112.91 111.24 3dll h THR 12 Ca 0.31 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 65.85 3dll h THR 12 Cb 2.41 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 3dll h THR 12 CO -0.00 0.13 -0.05 0.44 -0.25 0.00 0.00 175.52 175.79 3dll h ASP 13 N 0.70 0.72 0.13 5.36 3.32 0.78 -1.84 116.42 125.60 3dll h ASP 13 Ca 0.41 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3dll h ASP 13 Cb 0.45 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3dll h ASP 13 CO -0.29 0.89 -0.16 -0.26 -1.72 0.00 0.00 179.24 177.70 3dll h PHE 14 N 0.54 -0.46 -0.44 4.55 -1.00 -1.23 2.51 116.94 121.41 3dll h PHE 14 Ca 0.10 0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.95 3dll h PHE 14 Cb 0.55 0.18 -0.09 0.00 3.61 0.00 0.00 35.95 40.20 3dll h PHE 14 CO 0.04 -0.21 -0.51 0.00 -1.61 0.00 0.00 178.31 176.03 3dll h ALA 15 N -1.42 -0.63 -0.84 2.45 0.00 -1.57 0.26 119.26 117.51 3dll h ALA 15 Ca -0.02 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.05 3dll h ALA 15 Cb 0.27 1.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 3dll h ALA 15 CO -0.04 -0.98 -0.40 -0.22 0.00 0.00 0.00 179.25 177.62 3dll h LYS 16 N -0.35 -0.07 0.00 0.00 3.64 -0.94 0.74 116.57 119.59 3dll h LYS 16 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3dll h LYS 16 Cb 0.59 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3dll h LYS 16 CO -0.61 -0.05 0.00 0.39 -2.27 0.00 0.00 179.45 176.91 3dll n GLU 17 N -5.44 0.05 0.00 1.90 -0.58 0.84 -2.79 120.64 114.62 3dll n GLU 17 Ca 0.07 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 3dll n GLU 17 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3dll n GLU 17 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dll n ILE 18 N -1.39 0.00 -0.34 -3.67 2.08 0.25 -4.22 119.36 112.08 3dll n ILE 18 Ca 0.02 0.12 -0.03 0.00 0.56 0.00 0.00 62.75 63.43 3dll n ILE 18 Cb 0.07 -0.83 -0.04 0.00 -0.75 0.00 0.00 39.64 38.09 3dll n ILE 18 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3dll n ASP 19 N -1.40 2.36 0.00 4.38 5.75 -0.86 -0.71 116.55 126.06 3dll n ASP 19 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 3dll n ASP 19 Cb 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 3dll n ASP 19 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dll n ALA 20 N 2.28 2.61 0.06 2.12 0.00 -1.12 -4.61 120.51 121.85 3dll n ALA 20 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 3dll n ALA 20 Cb 0.32 0.35 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 3dll n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ARG 21 N 0.00 0.00 0.00 0.00 -0.00 -1.09 -2.85 114.38 110.44 3dll h ARG 21 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3dll h ARG 21 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.68 3dll h ARG 21 CO 0.00 0.67 0.00 0.87 0.00 0.00 0.00 179.97 181.51 3dll h LYS 22 N 0.00 0.00 -0.00 0.04 1.57 -1.76 1.28 116.57 117.69 3dll h LYS 22 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dll h LYS 22 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.01 3dll h LYS 22 CO 0.09 0.00 -0.03 1.17 -0.57 0.00 0.00 179.45 180.11 3dll n LYS 23 N -2.47 0.80 -0.03 3.15 0.00 -1.08 -2.34 118.16 116.20 3dll n LYS 23 Ca 0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 58.31 58.11 3dll n LYS 23 Cb 0.22 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.73 3dll n LYS 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3dll n GLU 24 N -0.97 0.28 -0.31 1.64 2.13 0.27 -4.15 120.64 119.53 3dll n GLU 24 Ca 0.18 0.11 0.30 0.00 0.66 0.00 0.00 57.16 58.41 3dll n GLU 24 Cb 0.22 -0.98 0.54 0.00 0.27 0.00 0.00 31.44 31.48 3dll n GLU 24 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3dll n LEU 25 N -3.94 0.29 0.00 4.31 7.94 0.37 -0.52 117.00 125.44 3dll n LEU 25 Ca -0.10 1.45 -0.17 0.00 -1.11 0.00 0.00 56.01 56.07 3dll n LEU 25 Cb 0.33 -0.71 -0.12 0.00 0.53 0.00 0.00 43.42 43.46 3dll n LEU 25 CO 0.09 -1.61 0.25 -0.03 -1.11 0.00 0.00 177.39 174.98 3dll h MET 26 N 0.00 0.30 0.00 1.96 4.05 -1.68 -2.29 114.93 117.26 3dll h MET 26 Ca 0.77 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.83 3dll h MET 26 Cb 2.11 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 33.02 3dll h MET 26 CO -0.64 1.08 0.00 0.39 0.23 0.00 0.00 176.91 177.96 3dll n GLU 27 N -4.30 0.03 -0.06 0.39 -0.58 0.32 -2.48 120.64 113.96 3dll n GLU 27 Ca -0.11 0.34 -0.04 0.00 -0.42 0.00 0.00 57.16 56.94 3dll n GLU 27 Cb 0.65 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.92 3dll n GLU 27 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3dll h LEU 28 N 0.00 0.00 0.00 -4.62 7.12 -1.02 -2.88 115.31 113.91 3dll h LEU 28 Ca 0.00 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.80 3dll h LEU 28 Cb 0.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 3dll h LEU 28 CO 0.00 0.64 0.01 -1.14 -0.13 0.00 0.00 178.44 177.82 3dll n ARG 29 N -4.73 0.00 -0.11 1.25 0.63 -0.87 0.19 116.66 113.01 3dll n ARG 29 Ca -0.03 0.06 -0.23 0.00 -0.92 0.00 0.00 57.85 56.73 3dll n ARG 29 Cb 0.13 -1.51 -0.10 0.00 0.45 0.00 0.00 32.46 31.43 3dll n ARG 29 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3dll n PHE 30 N -1.00 0.62 -0.31 -0.14 0.99 -1.07 -2.89 117.46 113.66 3dll n PHE 30 Ca 0.00 0.27 0.18 0.00 -0.00 0.00 0.00 57.45 57.89 3dll n PHE 30 Cb 0.01 -1.02 0.44 0.00 -1.00 0.00 0.00 39.48 37.90 3dll n PHE 30 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3dll h GLN 31 N -1.00 0.53 0.00 -1.08 4.20 -0.03 0.24 115.11 117.96 3dll h GLN 31 Ca -0.44 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3dll h GLN 31 Cb 1.36 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3dll h GLN 31 CO -0.27 0.35 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 3dll n ALA 32 N -2.43 0.00 0.00 3.87 0.00 0.83 0.16 120.51 122.93 3dll n ALA 32 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3dll n ALA 32 Cb 0.70 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.24 3dll n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 33 N -1.60 0.95 0.00 0.00 0.00 -0.54 0.16 120.51 119.47 3dll n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 33 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3dll n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll n ALA 34 N 0.13 1.96 0.00 0.00 0.00 0.26 -5.04 120.51 117.83 3dll n ALA 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dll n ALA 34 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3dll n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dll n GLY 35 N 2.76 2.31 0.01 0.00 0.00 0.42 -4.84 105.19 105.84 3dll n GLY 35 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3dll n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dll n GLN 36 N 0.00 0.00 -2.33 1.61 -0.06 -1.21 -4.60 117.38 110.79 3dll n GLN 36 Ca 0.00 0.24 -0.42 0.00 -2.00 0.00 0.00 57.00 54.81 3dll n GLN 36 Cb 0.00 -1.80 -0.03 0.00 -4.06 0.00 0.00 30.24 24.35 3dll n GLN 36 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3dll s LEU 37 N -2.52 4.30 0.00 1.69 0.20 -1.22 -4.89 118.68 116.23 3dll s LEU 37 Ca -0.00 1.97 0.00 0.00 0.69 0.00 0.00 54.13 56.79 3dll s LEU 37 Cb 0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 3dll s LEU 37 CO 0.01 -0.66 0.38 0.00 -0.29 0.00 0.00 176.35 175.78 3dll n ALA 38 N 5.35 2.05 -3.22 5.97 0.00 -1.26 -4.90 120.51 124.49 3dll n ALA 38 Ca 0.12 -0.38 -0.46 0.00 0.00 0.00 0.00 53.44 52.72 3dll n ALA 38 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 3dll n ALA 38 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3dll s GLN 39 N -0.07 3.68 0.09 0.00 -0.21 -1.26 -4.87 119.66 117.01 3dll s GLN 39 Ca 0.00 -2.38 -0.07 0.00 0.02 0.00 0.00 55.36 52.93 3dll s GLN 39 Cb 0.00 -4.59 -0.22 0.00 1.00 0.00 0.00 33.01 29.20 3dll s GLN 39 CO 0.00 -1.42 1.18 -1.35 -2.12 0.00 0.00 175.29 171.58 3dll h PRO 40 N 7.90 0.40 0.01 2.91 0.11 -2.02 -3.35 132.00 137.96 3dll h PRO 40 Ca 0.14 -0.56 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 3dll h PRO 40 Cb 1.01 0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3dll h PRO 40 CO 0.88 1.23 -0.70 1.12 -0.21 0.00 0.00 178.00 180.32 3dll h HIS 41 N 0.17 0.68 0.00 0.65 2.07 -2.01 -3.13 115.15 113.58 3dll h HIS 41 Ca -0.13 -0.38 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 3dll h HIS 41 Cb 1.84 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.75 3dll h HIS 41 CO 0.08 1.21 0.16 -2.13 -3.07 0.00 0.00 177.93 174.17 3dll n ARG 42 N -4.15 0.00 0.00 5.12 3.00 -1.25 0.29 116.66 119.67 3dll n ARG 42 Ca -0.11 0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 3dll n ARG 42 Cb 0.72 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.52 3dll n ARG 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3dll n VAL 43 N -1.17 0.00 -0.21 5.15 0.31 -1.18 -3.50 118.33 117.74 3dll n VAL 43 Ca 0.00 0.32 0.12 0.00 -0.01 0.00 0.00 64.34 64.76 3dll n VAL 43 Cb 0.16 -1.00 0.42 0.00 -0.91 0.00 0.00 33.84 32.50 3dll n VAL 43 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3dll h ARG 44 N 0.00 0.59 -0.08 5.55 3.08 -1.49 -2.59 114.38 119.44 3dll h ARG 44 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3dll h ARG 44 Cb 0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3dll h ARG 44 CO 0.00 0.39 -0.29 0.37 -1.07 0.00 0.00 179.97 179.37 3dll h GLN 45 N 0.61 -0.30 -0.25 0.04 4.15 -0.33 -1.71 115.11 117.32 3dll h GLN 45 Ca 0.39 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.81 3dll h GLN 45 Cb 0.65 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 3dll h GLN 45 CO -0.15 -0.20 0.08 -0.07 -1.93 0.00 0.00 178.83 176.56 3dll h LEU 46 N -0.31 0.32 -1.46 -2.39 3.38 -1.53 -0.50 115.31 112.82 3dll h LEU 46 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dll h LEU 46 Cb 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3dll h LEU 46 CO -0.24 0.32 0.00 0.54 0.09 0.00 0.00 178.44 179.15 3dll n ARG 47 N -4.41 0.14 -0.06 1.13 5.12 -0.68 -1.92 116.66 115.98 3dll n ARG 47 Ca 0.01 0.64 -0.07 0.00 -1.93 0.00 0.00 57.85 56.50 3dll n ARG 47 Cb 0.14 -1.97 -0.07 0.00 -1.16 0.00 0.00 32.46 29.41 3dll n ARG 47 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3dll n ARG 48 N -2.27 1.25 0.00 5.56 0.63 -0.40 -3.66 116.66 117.77 3dll n ARG 48 Ca -0.01 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3dll n ARG 48 Cb 0.04 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.70 3dll n ARG 48 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3dll n GLU 49 N -2.64 0.00 -0.04 -0.14 2.13 -0.33 0.13 120.64 119.75 3dll n GLU 49 Ca -0.19 0.11 -0.04 0.00 0.66 0.00 0.00 57.16 57.70 3dll n GLU 49 Cb 0.77 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.92 3dll n GLU 49 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3dll n VAL 50 N -1.09 0.51 0.25 6.31 0.31 -0.84 -3.75 118.33 120.03 3dll n VAL 50 Ca 0.00 -0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 63.87 3dll n VAL 50 Cb 0.00 -0.79 -0.08 0.00 -0.91 0.00 0.00 33.84 32.07 3dll n VAL 50 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dll h ALA 51 N 0.37 -1.10 -0.45 3.52 0.00 0.96 -2.68 119.26 119.88 3dll h ALA 51 Ca -0.20 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.63 3dll h ALA 51 Cb 1.45 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 3dll h ALA 51 CO 0.01 -1.11 0.05 1.96 0.00 0.00 0.00 179.25 180.16 3dll h GLN 52 N -0.83 0.16 0.00 0.00 4.20 -1.51 0.15 115.11 117.28 3dll h GLN 52 Ca -0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3dll h GLN 52 Cb 0.71 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3dll h GLN 52 CO -0.02 0.11 0.00 -0.11 -0.67 0.00 0.00 178.83 178.13 3dll n LEU 53 N -5.16 0.00 0.07 1.46 0.00 -1.03 0.02 117.00 112.35 3dll n LEU 53 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.05 3dll n LEU 53 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.65 3dll n LEU 53 CO 0.19 0.00 -0.07 0.59 0.00 0.00 0.00 177.39 178.11 3dll n ASN 54 N -0.35 0.55 -0.20 1.96 4.13 0.43 -4.58 115.26 117.20 3dll n ASN 54 Ca 0.00 0.21 -0.01 0.00 1.68 0.00 0.00 54.58 56.46 3dll n ASN 54 Cb 0.00 -0.07 0.10 0.00 -1.54 0.00 0.00 39.78 38.27 3dll n ASN 54 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 3dll h THR 55 N 0.00 0.81 0.00 3.41 2.02 -0.25 0.64 112.91 119.54 3dll h THR 55 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3dll h THR 55 Cb 0.13 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3dll h THR 55 CO 0.00 0.08 0.00 0.52 0.37 0.00 0.00 175.52 176.49 3dll n VAL 56 N -4.97 0.00 0.25 3.16 0.31 0.10 -0.27 118.33 116.92 3dll n VAL 56 Ca 0.08 1.41 0.08 0.00 -0.01 0.00 0.00 64.34 65.91 3dll n VAL 56 Cb 0.25 -2.16 0.45 0.00 -0.91 0.00 0.00 33.84 31.47 3dll n VAL 56 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3dll h LYS 57 N 0.00 0.00 -0.10 5.55 3.64 -1.65 0.58 116.57 124.59 3dll h LYS 57 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 3dll h LYS 57 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3dll h LYS 57 CO 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 179.45 177.02 3dll h ALA 58 N 0.98 0.16 -0.06 5.00 0.00 0.18 -3.26 119.26 122.25 3dll h ALA 58 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.60 3dll h ALA 58 Cb 0.89 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3dll h ALA 58 CO 0.00 0.06 -0.38 0.93 0.00 0.00 0.00 179.25 179.87 3dll h GLU 59 N -0.15 -0.48 -0.00 0.00 5.08 0.17 -3.24 114.58 115.97 3dll h GLU 59 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3dll h GLU 59 Cb 0.73 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3dll h GLU 59 CO 0.04 -0.32 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.66 3dll h LEU 60 N -0.49 -0.01 -0.70 1.33 3.38 -1.60 -1.90 115.31 115.32 3dll h LEU 60 Ca 0.07 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.15 3dll h LEU 60 Cb 0.61 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.25 3dll h LEU 60 CO -0.34 -0.00 -0.28 0.00 0.09 0.00 0.00 178.44 177.91 3dll n ALA 61 N -2.92 -0.11 0.07 1.53 0.00 -1.22 -0.61 120.51 117.24 3dll n ALA 61 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 53.44 54.11 3dll n ALA 61 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 3dll n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dll h ARG 62 N 0.00 -0.18 -5.48 0.00 3.08 -1.47 -3.37 114.38 106.97 3dll h ARG 62 Ca 0.24 0.01 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 3dll h ARG 62 Cb 0.41 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3dll h ARG 62 CO -0.70 -0.12 0.72 0.15 -1.07 0.00 0.00 179.97 178.96 3dll s LYS 63 N -3.43 1.83 0.00 0.04 -0.14 0.22 -1.06 119.74 117.19 3dll s LYS 63 Ca -0.03 0.85 0.00 0.00 -1.36 0.00 0.00 55.97 55.44 3dll s LYS 63 Cb 0.00 -4.70 0.00 0.00 -1.68 0.00 0.00 37.83 31.45 3dll s LYS 63 CO 0.09 -3.93 0.00 0.41 -0.76 0.00 0.00 175.35 171.16 3dll n GLY 64 N 6.46 2.69 3.54 -3.33 0.00 -1.26 -4.77 105.19 108.52 3dll n GLY 64 Ca 0.42 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3dll n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dll n GLU 65 N 0.00 0.00 -0.54 1.61 0.00 -1.26 -4.87 120.64 115.58 3dll n GLU 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3dll n GLU 65 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 31.44 30.48 3dll n GLU 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17