#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3w s SER 4 N 0.00 6.19 0.19 8.00 0.01 -1.26 -4.94 113.70 121.89 2k3w s SER 4 Ca 0.00 1.90 -0.11 0.00 1.31 0.00 0.00 55.95 59.05 2k3w s SER 4 Cb 0.00 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.79 2k3w s SER 4 CO 0.00 -0.89 1.81 0.74 0.41 0.00 0.00 173.24 175.31 2k3w h THR 5 N 1.24 1.21 -0.47 1.44 2.02 -2.00 -1.98 112.91 114.38 2k3w h THR 5 Ca -0.49 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.11 2k3w h THR 5 Cb 1.22 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2k3w h THR 5 CO 0.59 0.23 0.14 0.25 0.37 0.00 0.00 175.52 177.10 2k3w h LEU 6 N 0.93 0.69 -0.50 2.58 5.85 -1.93 -1.36 115.31 121.56 2k3w h LEU 6 Ca 0.24 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2k3w h LEU 6 Cb 0.05 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2k3w h LEU 6 CO -0.04 0.72 0.17 -0.61 -0.34 0.00 0.00 178.44 178.34 2k3w h GLN 7 N 0.62 0.34 -0.95 1.25 -0.00 -1.87 0.12 115.11 114.63 2k3w h GLN 7 Ca 0.15 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.80 2k3w h GLN 7 Cb 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.63 2k3w h GLN 7 CO -0.00 0.22 0.62 0.87 0.00 0.00 0.00 178.83 180.54 2k3w h LYS 8 N 0.35 1.21 -0.11 1.69 1.79 -1.06 0.35 116.57 120.78 2k3w h LYS 8 Ca 0.24 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 2k3w h LYS 8 Cb 0.27 -0.27 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 2k3w h LYS 8 CO -0.25 0.80 -0.06 0.00 -1.08 0.00 0.00 179.45 178.86 2k3w h ALA 9 N 1.36 0.04 -0.52 3.86 0.00 0.31 0.31 119.26 124.62 2k3w h ALA 9 Ca 0.36 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 2k3w h ALA 9 Cb -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k3w h ALA 9 CO -0.09 -0.52 0.12 0.82 0.00 0.00 0.00 179.25 179.58 2k3w h ILE 10 N -0.06 1.24 -0.27 0.00 2.04 -0.52 -0.59 117.51 119.35 2k3w h ILE 10 Ca 0.07 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2k3w h ILE 10 Cb 0.15 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2k3w h ILE 10 CO -0.15 0.31 0.17 -0.78 0.00 0.00 0.00 178.15 177.70 2k3w h ASP 11 N 0.72 0.28 -0.53 1.72 1.82 0.24 0.16 116.42 120.83 2k3w h ASP 11 Ca 0.16 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 2k3w h ASP 11 Cb 0.34 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 2k3w h ASP 11 CO 0.00 0.21 0.16 -0.07 -1.61 0.00 0.00 179.24 177.93 2k3w h LEU 12 N 0.35 0.78 -0.89 2.28 3.38 -0.25 -2.24 115.31 118.71 2k3w h LEU 12 Ca 0.10 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2k3w h LEU 12 Cb -0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2k3w h LEU 12 CO -0.04 0.78 0.16 1.62 0.09 0.00 0.00 178.44 181.05 2k3w h VAL 13 N 0.73 1.24 -0.50 1.22 3.04 -0.87 -1.05 116.25 120.07 2k3w h VAL 13 Ca 0.17 -0.89 0.02 0.00 -1.01 0.00 0.00 66.70 65.00 2k3w h VAL 13 Cb 0.29 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 2k3w h VAL 13 CO -0.00 0.34 0.30 0.74 -1.01 0.00 0.00 177.57 177.93 2k3w h THR 14 N 0.93 1.06 -0.74 3.17 2.02 -0.68 -1.02 112.91 117.65 2k3w h THR 14 Ca 0.20 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2k3w h THR 14 Cb 0.32 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 2k3w h THR 14 CO -0.00 0.11 0.42 0.50 0.37 0.00 0.00 175.52 176.92 2k3w h LYS 15 N 0.60 1.01 -0.67 6.66 1.63 -0.89 -2.14 116.57 122.77 2k3w h LYS 15 Ca 0.20 -0.11 0.12 0.00 -0.85 0.00 0.00 60.65 60.01 2k3w h LYS 15 Cb 0.01 -0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 31.35 2k3w h LYS 15 CO -0.09 0.74 0.23 0.00 -3.45 0.00 0.00 179.45 176.89 2k3w h ALA 16 N 1.22 0.88 -0.74 5.00 0.00 0.05 0.63 119.26 126.30 2k3w h ALA 16 Ca 0.26 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 2k3w h ALA 16 Cb 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k3w h ALA 16 CO -0.05 -0.22 0.26 1.79 0.00 0.00 0.00 179.25 181.03 2k3w h THR 17 N 0.39 1.26 -0.66 0.00 1.35 -0.71 0.77 112.91 115.32 2k3w h THR 17 Ca 0.35 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 65.30 2k3w h THR 17 Cb 0.50 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.31 2k3w h THR 17 CO -0.37 0.34 0.21 1.05 -0.25 0.00 0.00 175.52 176.51 2k3w h GLU 18 N 1.09 1.01 -0.45 4.72 4.11 -0.57 -1.70 114.58 122.79 2k3w h GLU 18 Ca 0.24 -0.21 -0.11 0.00 0.07 0.00 0.00 59.36 59.35 2k3w h GLU 18 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k3w h GLU 18 CO -0.01 0.88 -0.14 0.93 0.07 0.00 0.00 179.01 180.74 2k3w h GLU 19 N 0.95 0.90 -0.90 1.06 4.39 -0.56 -1.53 114.58 118.88 2k3w h GLU 19 Ca 0.21 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2k3w h GLU 19 Cb 0.28 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2k3w h GLU 19 CO -0.01 1.01 0.58 0.22 -1.16 0.00 0.00 179.01 179.65 2k3w h ASP 20 N 0.74 0.98 -0.64 1.42 3.58 -0.61 0.67 116.42 122.56 2k3w h ASP 20 Ca 0.11 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 2k3w h ASP 20 Cb 0.69 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2k3w h ASP 20 CO 0.05 0.68 0.04 0.11 -2.88 0.00 0.00 179.24 177.24 2k3w h LYS 21 N 1.14 1.10 0.00 0.28 1.57 -1.11 -1.49 116.57 118.07 2k3w h LYS 21 Ca 0.35 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2k3w h LYS 21 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2k3w h LYS 21 CO -0.11 1.04 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 2k3w n ALA 22 N -2.48 2.23 -1.91 3.86 0.00 -0.53 -4.80 120.51 116.87 2k3w n ALA 22 Ca 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2k3w n ALA 22 Cb 0.33 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2k3w n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k3w n LYS 23 N -0.71 -0.79 -2.75 0.00 4.76 -0.56 -4.95 118.16 113.17 2k3w n LYS 23 Ca 0.07 0.61 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 2k3w n LYS 23 Cb 0.03 -4.64 0.01 0.00 -1.84 0.00 0.00 35.03 28.59 2k3w n LYS 23 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2k3w n ASN 24 N 0.14 6.18 -0.34 4.39 4.13 0.22 -4.81 115.26 125.17 2k3w n ASN 24 Ca -0.12 -3.34 0.02 0.00 1.68 0.00 0.00 54.58 52.83 2k3w n ASN 24 Cb 0.51 -1.33 0.17 0.00 -1.54 0.00 0.00 39.78 37.59 2k3w n ASN 24 CO 0.00 0.00 0.00 1.88 0.28 0.00 0.00 177.26 179.42 2k3w h TYR 25 N 5.40 1.10 0.36 3.10 0.05 -1.88 0.66 116.97 125.76 2k3w h TYR 25 Ca 0.30 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 2k3w h TYR 25 Cb 0.58 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.97 2k3w h TYR 25 CO 1.13 0.55 -0.17 0.93 -1.05 0.00 0.00 178.16 179.54 2k3w h GLU 26 N 1.06 -0.46 0.02 4.88 5.08 -1.95 0.11 114.58 123.31 2k3w h GLU 26 Ca 0.41 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2k3w h GLU 26 Cb 0.21 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2k3w h GLU 26 CO -0.19 -0.26 -0.01 1.49 -1.00 0.00 0.00 179.01 179.05 2k3w h GLU 27 N -0.56 -0.02 -0.82 2.33 4.57 -1.87 -2.37 114.58 115.84 2k3w h GLU 27 Ca -0.05 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.30 2k3w h GLU 27 Cb 0.42 0.01 -0.11 0.00 -0.16 0.00 0.00 28.75 28.91 2k3w h GLU 27 CO 0.08 0.24 0.34 0.00 -1.18 0.00 0.00 179.01 178.49 2k3w h ALA 28 N 0.69 1.21 -0.70 2.92 0.00 0.35 0.22 119.26 123.95 2k3w h ALA 28 Ca -0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2k3w h ALA 28 Cb 0.28 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2k3w h ALA 28 CO 0.00 -0.25 0.47 1.25 0.00 0.00 0.00 179.25 180.72 2k3w h LEU 29 N 0.44 0.81 -0.44 0.00 5.85 -0.56 0.49 115.31 121.89 2k3w h LEU 29 Ca 0.47 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.20 2k3w h LEU 29 Cb 0.79 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2k3w h LEU 29 CO -0.46 0.58 0.25 0.03 -0.34 0.00 0.00 178.44 178.51 2k3w h ARG 30 N 0.95 0.49 -0.58 1.25 3.08 -0.07 -1.33 114.38 118.18 2k3w h ARG 30 Ca 0.26 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 2k3w h ARG 30 Cb -0.11 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 2k3w h ARG 30 CO -0.06 0.32 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.08 2k3w h LEU 31 N 0.50 0.99 0.04 3.04 -0.00 -0.78 -1.14 115.31 117.96 2k3w h LEU 31 Ca 0.18 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2k3w h LEU 31 Cb 0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2k3w h LEU 31 CO -0.10 1.05 -0.02 1.88 -0.00 0.00 0.00 178.44 181.26 2k3w h TYR 32 N 0.92 -0.04 -0.71 1.13 0.05 -0.40 0.46 116.97 118.38 2k3w h TYR 32 Ca 0.16 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 2k3w h TYR 32 Cb 0.56 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 2k3w h TYR 32 CO 0.04 -0.00 0.30 1.96 -1.05 0.00 0.00 178.16 179.41 2k3w h GLN 33 N -0.08 1.05 0.13 4.88 4.20 -1.21 -1.66 115.11 122.43 2k3w h GLN 33 Ca -0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2k3w h GLN 33 Cb 0.06 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2k3w h GLN 33 CO 0.01 0.86 -0.06 0.45 -0.67 0.00 0.00 178.83 179.41 2k3w h HIS 34 N 1.01 -0.16 -0.39 2.96 3.86 -0.93 -1.93 115.15 119.57 2k3w h HIS 34 Ca 0.24 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.52 2k3w h HIS 34 Cb 0.18 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.63 2k3w h HIS 34 CO 0.01 0.09 -0.10 0.00 0.86 0.00 0.00 177.93 178.79 2k3w h ALA 35 N 0.45 0.25 -0.65 2.45 0.00 0.05 -1.13 119.26 120.68 2k3w h ALA 35 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2k3w h ALA 35 Cb 0.32 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2k3w h ALA 35 CO 0.03 -0.46 0.38 0.28 0.00 0.00 0.00 179.25 179.48 2k3w h VAL 36 N -0.01 1.01 -0.30 0.00 2.07 -1.24 -0.66 116.25 117.12 2k3w h VAL 36 Ca 0.19 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2k3w h VAL 36 Cb 0.30 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2k3w h VAL 36 CO -0.41 0.13 -0.06 -0.08 0.02 0.00 0.00 177.57 177.17 2k3w h GLU 37 N 0.72 0.01 -0.60 1.57 4.81 -0.40 -0.05 114.58 120.63 2k3w h GLU 37 Ca 0.28 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2k3w h GLU 37 Cb 0.12 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2k3w h GLU 37 CO -0.15 0.01 0.16 1.88 -0.73 0.00 0.00 179.01 180.18 2k3w h TYR 38 N 0.01 0.96 -0.07 0.92 -1.99 -0.78 -1.37 116.97 114.65 2k3w h TYR 38 Ca 0.15 -0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 2k3w h TYR 38 Cb 0.22 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.66 2k3w h TYR 38 CO -0.28 0.79 0.04 0.74 -0.00 0.00 0.00 178.16 179.45 2k3w h PHE 39 N 0.89 0.10 -0.75 4.88 0.04 -0.18 0.46 116.94 122.38 2k3w h PHE 39 Ca 0.20 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 2k3w h PHE 39 Cb 0.30 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 2k3w h PHE 39 CO 0.02 0.14 0.33 -0.07 -0.60 0.00 0.00 178.31 178.13 2k3w h LEU 40 N 0.03 1.00 -0.99 1.54 3.38 -0.88 -1.79 115.31 117.59 2k3w h LEU 40 Ca 0.03 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2k3w h LEU 40 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2k3w h LEU 40 CO -0.00 0.86 -0.08 -0.74 0.09 0.00 0.00 178.44 178.56 2k3w h HIS 41 N 1.08 0.68 -0.24 1.13 2.76 -0.94 -2.19 115.15 117.44 2k3w h HIS 41 Ca 0.26 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2k3w h HIS 41 Cb 0.15 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2k3w h HIS 41 CO 0.01 0.70 0.04 0.00 -1.30 0.00 0.00 177.93 177.39 2k3w h ALA 42 N 1.32 0.32 -0.29 5.26 0.00 -0.07 0.98 119.26 126.78 2k3w h ALA 42 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k3w h ALA 42 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k3w h ALA 42 CO 0.03 -0.01 -0.11 -0.84 0.00 0.00 0.00 179.25 178.32 2k3w h ILE 43 N 0.20 1.22 0.06 0.00 3.07 -1.32 1.95 117.51 122.70 2k3w h ILE 43 Ca 0.07 -0.97 -0.12 0.00 1.55 0.00 0.00 64.86 65.39 2k3w h ILE 43 Cb 0.32 1.12 0.00 0.00 -0.27 0.00 0.00 36.82 37.99 2k3w h ILE 43 CO 0.00 0.32 -0.60 0.11 -1.05 0.00 0.00 178.15 176.93 2k3w h LYS 44 N 0.45 0.12 0.00 0.16 1.57 -1.19 -3.38 116.57 114.31 2k3w h LYS 44 Ca 0.09 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2k3w h LYS 44 Cb 0.46 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k3w h LYS 44 CO 0.03 1.10 -0.89 0.66 -0.57 0.00 0.00 179.45 179.78 2k3w n TYR 45 N -4.35 0.67 -5.14 -1.35 4.02 0.34 -4.85 117.16 106.49 2k3w n TYR 45 Ca -0.16 0.19 -0.29 0.00 -0.01 0.00 0.00 57.90 57.63 2k3w n TYR 45 Cb 0.67 -0.74 -0.16 0.00 -0.02 0.00 0.00 39.34 39.09 2k3w n TYR 45 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2k3w s GLU 46 N -3.26 2.16 0.23 -0.72 2.02 0.66 -4.99 118.70 114.79 2k3w s GLU 46 Ca 0.03 -0.82 -0.20 0.00 0.02 0.00 0.00 54.97 54.00 2k3w s GLU 46 Cb 0.12 -1.92 -0.08 0.00 0.10 0.00 0.00 34.13 32.35 2k3w s GLU 46 CO 0.77 0.39 0.73 0.00 0.02 0.00 0.00 175.26 177.18 2k3w s ALA 47 N -0.26 3.41 0.09 5.21 0.00 -1.26 -3.89 121.76 125.07 2k3w s ALA 47 Ca 0.01 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.89 2k3w s ALA 47 Cb -0.12 -2.83 0.07 0.00 0.00 0.00 0.00 23.12 20.24 2k3w s ALA 47 CO 0.02 0.32 0.63 -1.01 0.00 0.00 0.00 175.76 175.72 2k3w s HIS 48 N -1.53 -0.57 0.81 0.00 3.76 -1.26 -5.05 115.29 111.44 2k3w s HIS 48 Ca 0.43 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 55.78 2k3w s HIS 48 Cb -0.17 0.51 0.06 0.00 1.11 0.00 0.00 32.58 34.10 2k3w s HIS 48 CO 0.21 -0.77 1.05 0.43 -0.85 0.00 0.00 174.74 174.82 2k3w n SER 49 N 0.03 0.52 0.13 1.40 7.64 -1.26 -4.63 113.62 117.45 2k3w n SER 49 Ca -0.17 0.57 0.14 0.00 1.01 0.00 0.00 58.87 60.41 2k3w n SER 49 Cb 0.62 -1.45 0.66 0.00 -1.01 0.00 0.00 64.21 63.04 2k3w n SER 49 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2k3w h ASP 50 N -0.86 0.01 -0.42 6.43 3.32 -2.01 0.49 116.42 123.37 2k3w h ASP 50 Ca -0.46 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.48 2k3w h ASP 50 Cb 1.31 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 2k3w h ASP 50 CO 0.45 0.01 -0.17 0.11 -1.72 0.00 0.00 179.24 177.91 2k3w h LYS 51 N 0.01 0.86 -0.22 3.56 1.57 -2.00 -1.50 116.57 118.86 2k3w h LYS 51 Ca 0.12 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 2k3w h LYS 51 Cb 0.47 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2k3w h LYS 51 CO -0.00 1.00 -0.14 0.00 -0.57 0.00 0.00 179.45 179.74 2k3w h ALA 52 N 0.84 0.31 0.40 3.86 0.00 -1.40 -2.49 119.26 120.77 2k3w h ALA 52 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k3w h ALA 52 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k3w h ALA 52 CO 0.06 0.19 -0.26 0.87 0.00 0.00 0.00 179.25 180.10 2k3w h LYS 53 N 0.17 -0.61 -0.83 0.00 6.56 -0.91 -1.62 116.57 119.33 2k3w h LYS 53 Ca 0.04 0.04 0.13 0.00 -1.06 0.00 0.00 60.65 59.80 2k3w h LYS 53 Cb 0.66 0.14 -0.06 0.00 -0.57 0.00 0.00 32.23 32.40 2k3w h LYS 53 CO 0.04 -0.41 0.54 1.05 -2.06 0.00 0.00 179.45 178.61 2k3w h GLU 54 N -0.64 0.62 -0.73 3.15 4.11 -1.34 0.18 114.58 119.94 2k3w h GLU 54 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2k3w h GLU 54 Cb 0.53 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2k3w h GLU 54 CO 0.03 0.41 0.43 1.03 0.07 0.00 0.00 179.01 180.99 2k3w h SER 55 N 0.64 0.88 -0.19 3.06 0.87 -0.92 -1.65 113.55 116.25 2k3w h SER 55 Ca 0.40 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.87 2k3w h SER 55 Cb 0.66 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2k3w h SER 55 CO -0.17 0.70 0.03 0.40 -0.53 0.00 0.00 176.83 177.27 2k3w h ILE 56 N 1.00 1.22 0.43 2.23 1.08 0.24 -1.73 117.51 121.98 2k3w h ILE 56 Ca 0.26 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 2k3w h ILE 56 Cb -0.01 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 2k3w h ILE 56 CO -0.05 0.22 -0.38 0.03 -0.69 0.00 0.00 178.15 177.28 2k3w h ARG 57 N 0.11 -0.79 -0.21 2.37 3.08 -1.06 0.56 114.38 118.44 2k3w h ARG 57 Ca 0.06 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.22 2k3w h ARG 57 Cb 0.30 0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 2k3w h ARG 57 CO 0.00 -0.52 -0.21 0.00 -1.07 0.00 0.00 179.97 178.17 2k3w h ALA 58 N -0.43 -0.10 -0.72 0.04 0.00 -1.32 -1.36 119.26 115.38 2k3w h ALA 58 Ca -0.04 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k3w h ALA 58 Cb 0.71 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2k3w h ALA 58 CO -0.04 -0.64 0.47 -0.22 0.00 0.00 0.00 179.25 178.82 2k3w h LYS 59 N -0.23 0.93 -0.92 0.00 1.63 -1.09 -1.82 116.57 115.07 2k3w h LYS 59 Ca 0.13 -0.06 0.15 0.00 -0.85 0.00 0.00 60.65 60.02 2k3w h LYS 59 Cb 0.42 -0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 31.75 2k3w h LYS 59 CO -0.34 0.62 0.53 0.00 -3.45 0.00 0.00 179.45 176.80 2k3w h VAL 61 N 0.77 1.19 -0.50 0.00 2.07 -0.46 -0.02 116.25 119.29 2k3w h VAL 61 Ca 0.49 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.52 2k3w h VAL 61 Cb 0.64 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.81 2k3w h VAL 61 CO -0.33 0.16 0.18 1.56 0.02 0.00 0.00 177.57 179.16 2k3w h GLN 62 N -0.12 0.35 0.04 1.57 4.20 -0.56 0.43 115.11 121.04 2k3w h GLN 62 Ca 0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k3w h GLN 62 Cb 0.24 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2k3w h GLN 62 CO 0.00 0.23 -0.02 1.88 -0.67 0.00 0.00 178.83 180.25 2k3w h TYR 63 N 0.36 -0.05 -0.25 2.96 0.05 -0.71 -1.96 116.97 117.37 2k3w h TYR 63 Ca 0.24 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 2k3w h TYR 63 Cb 0.25 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2k3w h TYR 63 CO -0.16 0.12 0.16 -0.07 -1.05 0.00 0.00 178.16 177.16 2k3w h LEU 64 N -0.21 0.28 -0.56 3.88 3.38 -0.54 -0.91 115.31 120.63 2k3w h LEU 64 Ca -0.01 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2k3w h LEU 64 Cb 0.19 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 2k3w h LEU 64 CO 0.01 0.20 0.10 -0.78 0.09 0.00 0.00 178.44 178.06 2k3w h ASP 65 N 0.33 -0.03 -0.56 -0.43 3.58 -0.05 0.45 116.42 119.71 2k3w h ASP 65 Ca 0.09 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.66 2k3w h ASP 65 Cb -0.03 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2k3w h ASP 65 CO -0.02 0.00 0.37 0.03 -2.88 0.00 0.00 179.24 176.74 2k3w h ARG 66 N 0.23 0.73 -0.76 0.28 2.47 -0.91 -1.62 114.38 114.81 2k3w h ARG 66 Ca 0.29 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.93 2k3w h ARG 66 Cb 0.42 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.54 2k3w h ARG 66 CO -0.39 0.49 0.35 0.00 0.56 0.00 0.00 179.97 180.98 2k3w h ALA 67 N 1.21 1.18 0.45 0.04 0.00 0.48 -1.28 119.26 121.34 2k3w h ALA 67 Ca 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k3w h ALA 67 Cb -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2k3w h ALA 67 CO -0.05 0.61 -0.22 0.93 0.00 0.00 0.00 179.25 180.53 2k3w h GLU 68 N 1.08 -0.59 -0.45 0.00 5.08 0.50 -0.85 114.58 119.36 2k3w h GLU 68 Ca 0.26 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2k3w h GLU 68 Cb 0.13 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k3w h GLU 68 CO -0.03 -0.37 0.24 1.57 -1.00 0.00 0.00 179.01 179.42 2k3w h LYS 69 N -0.64 0.62 -0.22 2.33 2.10 -1.22 0.18 116.57 119.72 2k3w h LYS 69 Ca -0.06 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.53 2k3w h LYS 69 Cb 0.48 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2k3w h LYS 69 CO 0.10 0.46 0.13 -0.07 -2.00 0.00 0.00 179.45 178.07 2k3w h LEU 70 N 0.62 0.26 -1.23 7.07 3.38 -0.85 -1.51 115.31 123.06 2k3w h LEU 70 Ca 0.16 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2k3w h LEU 70 Cb 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k3w h LEU 70 CO -0.03 0.24 -0.31 0.50 0.09 0.00 0.00 178.44 178.93 2k3w h LYS 71 N 0.26 0.00 0.49 1.13 3.64 -0.62 -1.89 116.57 119.59 2k3w h LYS 71 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2k3w h LYS 71 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2k3w h LYS 71 CO -0.01 0.31 -0.24 0.22 -2.27 0.00 0.00 179.45 177.46 2k3w h ASP 72 N 0.00 -0.56 0.86 4.20 1.82 0.38 -1.10 116.42 122.02 2k3w h ASP 72 Ca -0.00 -0.06 -0.19 0.00 -0.39 0.00 0.00 57.03 56.39 2k3w h ASP 72 Cb 0.71 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 2k3w h ASP 72 CO 0.04 -0.27 -0.91 0.10 -1.61 0.00 0.00 179.24 176.59 2k3w h TYR 73 N -0.84 0.05 -0.02 0.28 -0.00 -1.50 -3.26 116.97 111.68 2k3w h TYR 73 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.64 2k3w h TYR 73 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.31 2k3w h TYR 73 CO -0.01 0.92 0.00 -0.07 -0.00 0.00 0.00 178.16 179.01 2k3w h LEU 74 N 0.01 -0.00 0.00 0.10 3.38 -1.34 -3.52 115.31 113.94 2k3w h LEU 74 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k3w h LEU 74 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2k3w h LEU 74 CO 0.12 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.52