#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6c n GLY 5 N 0.00 0.66 3.51 6.12 0.00 -1.26 -5.04 105.19 109.18 3k6c n GLY 5 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k6c n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k6c s TYR 6 N -2.31 3.22 -1.40 1.61 2.02 -1.26 -4.95 117.35 114.28 3k6c s TYR 6 Ca 0.00 -0.29 0.22 0.00 -0.37 0.00 0.00 57.07 56.63 3k6c s TYR 6 Cb 0.00 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 3k6c s TYR 6 CO 0.00 -0.49 1.07 1.19 -1.57 0.00 0.00 175.55 175.75 3k6c n PHE 7 N 5.27 0.00 -4.64 2.71 3.01 -1.26 -4.88 117.46 117.67 3k6c n PHE 7 Ca -0.10 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.08 3k6c n PHE 7 Cb 0.49 -0.04 -0.14 0.00 -0.01 0.00 0.00 39.48 39.78 3k6c n PHE 7 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3k6c s GLU 8 N -2.79 1.51 -0.10 -1.08 0.41 -1.26 -5.08 118.70 110.30 3k6c s GLU 8 Ca 0.13 -1.13 -0.37 0.00 -0.41 0.00 0.00 54.97 53.19 3k6c s GLU 8 Cb 0.17 -1.76 -0.15 0.00 -1.78 0.00 0.00 34.13 30.61 3k6c s GLU 8 CO 0.73 0.44 1.67 -2.30 -0.49 0.00 0.00 175.26 175.31 3k6c n PRO 9 N 1.50 1.51 -0.43 0.39 -0.02 -1.26 -4.84 135.00 131.84 3k6c n PRO 9 Ca -0.18 0.55 0.34 0.00 -2.02 0.00 0.00 63.50 62.20 3k6c n PRO 9 Cb 0.53 -2.27 0.55 0.00 -0.02 0.00 0.00 33.50 32.29 3k6c n PRO 9 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3k6c n THR 10 N 4.14 -0.10 0.44 3.45 -1.04 -1.26 -1.41 114.28 118.50 3k6c n THR 10 Ca 0.23 1.22 0.13 0.00 -2.04 0.00 0.00 64.05 63.58 3k6c n THR 10 Cb 0.20 -2.01 0.31 0.00 -1.82 0.00 0.00 70.33 67.01 3k6c n THR 10 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3k6c h GLN 11 N 0.00 0.00 -0.38 -2.82 4.15 -2.02 -3.16 115.11 110.88 3k6c h GLN 11 Ca 0.67 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.09 3k6c h GLN 11 Cb 2.43 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.12 3k6c h GLN 11 CO -0.18 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.11 3k6c n GLU 12 N -2.64 2.04 -5.24 1.69 1.02 -0.50 -4.89 120.64 112.12 3k6c n GLU 12 Ca 0.05 -1.60 -0.32 0.00 -0.02 0.00 0.00 57.16 55.28 3k6c n GLU 12 Cb 0.47 -1.39 -0.16 0.00 -0.02 0.00 0.00 31.44 30.34 3k6c n GLU 12 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k6c s LEU 13 N -1.21 2.12 0.78 -4.62 1.43 -1.20 -5.04 118.68 110.93 3k6c s LEU 13 Ca 0.32 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3k6c s LEU 13 Cb 0.17 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 45.07 3k6c s LEU 13 CO 0.24 0.24 1.11 -0.94 0.23 0.00 0.00 176.35 177.24 3k6c s SER 14 N -0.16 4.25 0.14 2.29 1.04 -1.26 -4.85 113.70 115.15 3k6c s SER 14 Ca -0.04 1.96 -0.19 0.00 0.48 0.00 0.00 55.95 58.17 3k6c s SER 14 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.46 3k6c s SER 14 CO 0.04 -2.21 1.70 0.44 0.98 0.00 0.00 173.24 174.19 3k6c h ASP 15 N -1.04 -0.21 0.54 7.02 3.32 -1.99 -2.15 116.42 121.92 3k6c h ASP 15 Ca -0.44 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 3k6c h ASP 15 Cb 1.25 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 3k6c h ASP 15 CO 0.50 -0.07 -0.17 1.05 -1.72 0.00 0.00 179.24 178.83 3k6c h GLU 16 N 0.03 0.00 -0.54 3.56 4.11 -1.99 0.14 114.58 119.89 3k6c h GLU 16 Ca 0.13 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.50 3k6c h GLU 16 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3k6c h GLU 16 CO -0.26 0.17 0.07 1.15 0.07 0.00 0.00 179.01 180.21 3k6c h THR 17 N 0.00 1.24 0.00 -1.06 2.02 -1.85 -3.15 112.91 110.12 3k6c h THR 17 Ca -0.00 -0.94 -0.21 0.00 0.77 0.00 0.00 66.41 66.03 3k6c h THR 17 Cb 0.48 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3k6c h THR 17 CO 0.02 0.34 -0.91 0.03 0.37 0.00 0.00 175.52 175.38 3k6c h ARG 18 N 0.82 0.30 -0.98 6.66 3.08 -0.44 0.98 114.38 124.80 3k6c h ARG 18 Ca 0.17 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3k6c h ARG 18 Cb 0.39 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3k6c h ARG 18 CO 0.01 1.03 0.00 -0.25 -1.07 0.00 0.00 179.97 179.69 3k6c n ASP 19 N -3.70 0.58 0.00 7.04 8.00 0.31 -1.01 116.55 127.77 3k6c n ASP 19 Ca -0.05 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.86 3k6c n ASP 19 Cb 0.82 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3k6c n ASP 19 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3k6c n HIS 21 N 0.60 0.00 -0.09 1.24 -0.00 0.34 -0.47 115.22 116.83 3k6c n HIS 21 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 3k6c n HIS 21 Cb 0.11 0.00 0.25 0.00 -0.00 0.00 0.00 29.99 30.35 3k6c n HIS 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k6c h ARG 22 N 0.00 0.74 0.02 1.57 3.08 -1.34 -0.22 114.38 118.22 3k6c h ARG 22 Ca 0.00 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3k6c h ARG 22 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3k6c h ARG 22 CO 0.00 0.64 -0.01 0.00 -1.07 0.00 0.00 179.97 179.53 3k6c h ALA 23 N 1.45 -0.03 -0.31 0.04 0.00 -1.03 -2.51 119.26 116.87 3k6c h ALA 23 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3k6c h ALA 23 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3k6c h ALA 23 CO -0.01 -0.29 0.12 0.82 0.00 0.00 0.00 179.25 179.90 3k6c h ILE 24 N -0.48 1.18 -0.33 0.00 2.04 -1.80 -0.26 117.51 117.85 3k6c h ILE 24 Ca -0.00 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 3k6c h ILE 24 Cb 0.46 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3k6c h ILE 24 CO 0.00 0.19 0.04 -0.29 0.00 0.00 0.00 178.15 178.10 3k6c h ILE 25 N 0.35 1.24 -0.85 -0.67 2.10 -1.10 0.91 117.51 119.49 3k6c h ILE 25 Ca 0.10 -0.85 0.16 0.00 1.08 0.00 0.00 64.86 65.36 3k6c h ILE 25 Cb 0.18 1.16 -0.10 0.00 -1.09 0.00 0.00 36.82 36.97 3k6c h ILE 25 CO -0.01 0.28 0.41 0.28 -1.08 0.00 0.00 178.15 178.03 3k6c h SER 26 N 0.38 0.45 -0.47 2.19 0.02 -1.29 0.23 113.55 115.06 3k6c h SER 26 Ca 0.10 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 3k6c h SER 26 Cb 0.37 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3k6c h SER 26 CO 0.01 0.16 -0.13 0.25 -1.14 0.00 0.00 176.83 175.97 3k6c h LEU 27 N 0.55 0.93 -1.09 5.07 5.85 -0.24 -1.50 115.31 124.88 3k6c h LEU 27 Ca 0.48 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3k6c h LEU 27 Cb 0.74 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3k6c h LEU 27 CO -0.40 1.09 0.61 0.03 -0.34 0.00 0.00 178.44 179.43 3k6c h ARG 28 N 0.77 1.12 -0.16 1.25 3.08 -0.37 -1.79 114.38 118.28 3k6c h ARG 28 Ca 0.12 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 3k6c h ARG 28 Cb 0.69 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3k6c h ARG 28 CO 0.05 0.74 -0.15 0.93 -1.07 0.00 0.00 179.97 180.47 3k6c h GLU 29 N 1.15 0.38 -0.93 0.04 5.08 -0.58 -1.36 114.58 118.36 3k6c h GLU 29 Ca 0.38 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3k6c h GLU 29 Cb 0.06 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3k6c h GLU 29 CO -0.13 0.75 0.60 0.93 -1.00 0.00 0.00 179.01 180.17 3k6c h GLU 30 N 0.02 1.24 -0.19 2.33 4.39 -1.15 -0.65 114.58 120.58 3k6c h GLU 30 Ca 0.03 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3k6c h GLU 30 Cb 0.68 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 3k6c h GLU 30 CO 0.04 0.83 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.48 3k6c h LEU 31 N 1.27 0.30 -0.08 1.33 3.38 -1.19 -1.17 115.31 119.15 3k6c h LEU 31 Ca 0.34 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3k6c h LEU 31 Cb -0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3k6c h LEU 31 CO -0.07 0.50 -0.05 -0.08 0.09 0.00 0.00 178.44 178.83 3k6c h GLU 32 N 0.29 0.17 -0.78 1.13 4.81 -0.11 -2.26 114.58 117.83 3k6c h GLU 32 Ca 0.05 -0.08 0.18 0.00 -0.13 0.00 0.00 59.36 59.39 3k6c h GLU 32 Cb 0.48 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.72 3k6c h GLU 32 CO 0.03 0.55 0.01 0.00 -0.73 0.00 0.00 179.01 178.87 3k6c h ALA 33 N 0.61 0.82 0.10 2.92 0.00 -0.77 0.66 119.26 123.60 3k6c h ALA 33 Ca 0.02 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3k6c h ALA 33 Cb 0.51 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k6c h ALA 33 CO 0.01 -0.43 -0.05 0.28 0.00 0.00 0.00 179.25 179.06 3k6c h VAL 34 N 0.10 0.97 -0.13 0.00 2.07 -1.04 0.22 116.25 118.43 3k6c h VAL 34 Ca 0.43 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3k6c h VAL 34 Cb 0.77 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3k6c h VAL 34 CO -0.69 0.06 -0.02 -0.78 0.02 0.00 0.00 177.57 176.16 3k6c h ASP 35 N -0.24 -0.09 0.06 0.57 3.58 -0.86 -0.21 116.42 119.23 3k6c h ASP 35 Ca -0.01 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3k6c h ASP 35 Cb 0.20 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.32 3k6c h ASP 35 CO 0.02 -0.02 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.26 3k6c h LEU 36 N 0.02 -0.06 -1.78 2.28 3.38 0.52 -2.14 115.31 117.53 3k6c h LEU 36 Ca 0.06 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3k6c h LEU 36 Cb 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3k6c h LEU 36 CO -0.12 0.07 0.24 1.88 0.09 0.00 0.00 178.44 180.59 3k6c h TYR 37 N -0.19 0.27 -0.47 1.13 0.05 -0.46 -0.68 116.97 116.62 3k6c h TYR 37 Ca -0.01 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3k6c h TYR 37 Cb 0.17 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.79 3k6c h TYR 37 CO -0.04 0.16 -0.08 -0.97 -1.05 0.00 0.00 178.16 176.18 3k6c h ASN 38 N 0.28 0.82 -0.05 3.88 -0.73 -0.51 0.15 115.58 119.41 3k6c h ASN 38 Ca 0.15 -0.24 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 3k6c h ASN 38 Cb 0.24 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 3k6c h ASN 38 CO -0.03 0.93 -0.03 1.56 -0.37 0.00 0.00 177.43 179.49 3k6c h GLN 39 N 0.76 0.11 -0.77 6.67 4.20 -0.55 -2.19 115.11 123.35 3k6c h GLN 39 Ca 0.13 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3k6c h GLN 39 Cb 0.57 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3k6c h GLN 39 CO 0.03 0.52 0.30 0.00 -0.67 0.00 0.00 178.83 179.02 3k6c h ARG 40 N -0.30 1.15 0.07 1.46 3.08 -1.13 -0.29 114.38 118.42 3k6c h ARG 40 Ca 0.01 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3k6c h ARG 40 Cb 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3k6c h ARG 40 CO 0.01 0.93 -0.21 0.28 -1.07 0.00 0.00 179.97 179.91 3k6c h VAL 41 N 1.12 0.51 -0.78 2.04 2.07 -0.66 0.31 116.25 120.86 3k6c h VAL 41 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 3k6c h VAL 41 Cb 0.22 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3k6c h VAL 41 CO -0.02 0.00 0.51 -1.13 0.02 0.00 0.00 177.57 176.95 3k6c h ASN 42 N -0.38 0.82 -0.01 0.57 -0.73 -0.85 -2.60 115.58 112.41 3k6c h ASN 42 Ca 0.04 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3k6c h ASN 42 Cb 0.42 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.82 3k6c h ASN 42 CO -0.15 0.57 -0.07 0.00 -0.37 0.00 0.00 177.43 177.40 3k6c n ALA 43 N -2.42 2.66 -1.77 1.57 0.00 -0.17 -4.99 120.51 115.39 3k6c n ALA 43 Ca 0.10 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.55 3k6c n ALA 43 Cb 0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 3k6c n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6c n LYS 45 N 0.32 0.53 -1.77 0.00 4.76 -1.26 -4.99 118.16 115.75 3k6c n LYS 45 Ca 0.03 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.37 3k6c n LYS 45 Cb 0.48 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 3k6c n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3k6c s ASP 46 N -6.33 6.48 0.46 4.39 -1.08 -1.26 -4.90 116.67 114.43 3k6c s ASP 46 Ca -0.29 2.65 0.17 0.00 -0.52 0.00 0.00 52.55 54.57 3k6c s ASP 46 Cb 0.06 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 40.07 3k6c s ASP 46 CO 0.42 -0.99 2.01 0.50 0.52 0.00 0.00 175.17 177.62 3k6c h LYS 47 N 9.12 0.00 0.11 4.34 3.64 -1.99 -0.91 116.57 130.88 3k6c h LYS 47 Ca -0.46 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.74 3k6c h LYS 47 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3k6c h LYS 47 CO 0.94 0.18 -0.87 1.49 -2.27 0.00 0.00 179.45 178.92 3k6c h GLU 48 N 0.00 0.23 -0.57 1.90 4.57 -2.00 -2.42 114.58 116.28 3k6c h GLU 48 Ca -0.00 -0.39 0.07 0.00 -1.18 0.00 0.00 59.36 57.86 3k6c h GLU 48 Cb 0.33 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 3k6c h GLU 48 CO 0.02 1.18 0.26 1.25 -1.18 0.00 0.00 179.01 180.55 3k6c h LEU 49 N -0.48 0.33 -0.49 1.64 5.85 -1.96 -2.60 115.31 117.61 3k6c h LEU 49 Ca -0.17 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3k6c h LEU 49 Cb 1.56 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.50 3k6c h LEU 49 CO 0.09 0.21 -0.06 0.50 -0.34 0.00 0.00 178.44 178.84 3k6c h LYS 50 N 0.48 0.05 -0.49 1.25 3.64 -1.12 -1.17 116.57 119.22 3k6c h LYS 50 Ca 0.27 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 3k6c h LYS 50 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3k6c h LYS 50 CO -0.23 0.03 0.23 0.00 -2.27 0.00 0.00 179.45 177.21 3k6c h ALA 51 N 1.46 0.64 -0.57 5.00 0.00 -1.22 -2.07 119.26 122.50 3k6c h ALA 51 Ca 0.24 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3k6c h ALA 51 Cb 0.37 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3k6c h ALA 51 CO -0.45 0.21 0.14 0.82 0.00 0.00 0.00 179.25 179.97 3k6c h ILE 52 N 0.65 0.69 -0.05 0.00 2.04 -1.01 -1.94 117.51 117.89 3k6c h ILE 52 Ca 0.17 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 3k6c h ILE 52 Cb 0.14 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3k6c h ILE 52 CO -0.02 0.05 0.02 -0.07 0.00 0.00 0.00 178.15 178.13 3k6c h LEU 53 N 0.29 0.07 -1.41 1.44 3.38 -0.91 -2.48 115.31 115.69 3k6c h LEU 53 Ca 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3k6c h LEU 53 Cb 0.41 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3k6c h LEU 53 CO -0.36 0.25 0.07 0.00 0.09 0.00 0.00 178.44 178.49 3k6c h ALA 54 N 0.82 1.53 0.02 1.53 0.00 -1.29 -1.85 119.26 120.02 3k6c h ALA 54 Ca 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k6c h ALA 54 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k6c h ALA 54 CO -0.00 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.84 3k6c h HIS 55 N 0.45 -0.02 -0.71 0.00 -0.00 -1.25 -1.81 115.15 111.80 3k6c h HIS 55 Ca 0.11 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.55 3k6c h HIS 55 Cb 0.19 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.55 3k6c h HIS 55 CO 0.01 0.25 0.39 -0.91 -0.00 0.00 0.00 177.93 177.66 3k6c h ASN 56 N -0.29 0.55 0.77 3.26 2.35 -1.28 -1.85 115.58 119.09 3k6c h ASN 56 Ca -0.00 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3k6c h ASN 56 Cb 0.28 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 3k6c h ASN 56 CO 0.00 0.34 -0.45 -0.09 -1.65 0.00 0.00 177.43 175.59 3k6c h ARG 57 N 0.69 -1.09 -0.33 0.81 2.43 -1.13 0.30 114.38 116.06 3k6c h ARG 57 Ca 0.33 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 3k6c h ARG 57 Cb 0.27 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3k6c h ARG 57 CO -0.22 -0.73 0.22 -0.44 -1.51 0.00 0.00 179.97 177.29 3k6c h ASP 58 N -1.13 0.25 -0.76 -3.80 3.32 -1.31 -0.15 116.42 112.83 3k6c h ASP 58 Ca -0.10 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3k6c h ASP 58 Cb 0.90 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 3k6c h ASP 58 CO 0.13 0.17 0.48 -0.08 -1.72 0.00 0.00 179.24 178.22 3k6c h GLU 59 N 0.29 1.02 -0.05 3.56 4.57 -0.84 -2.80 114.58 120.33 3k6c h GLU 59 Ca 0.14 -0.08 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 3k6c h GLU 59 Cb 0.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3k6c h GLU 59 CO -0.03 0.70 -0.71 0.93 -1.18 0.00 0.00 179.01 178.72 3k6c h GLU 60 N 1.04 0.28 -1.21 1.92 4.39 0.87 -2.25 114.58 119.61 3k6c h GLU 60 Ca 0.28 -0.23 0.35 0.00 0.34 0.00 0.00 59.36 60.10 3k6c h GLU 60 Cb -0.08 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3k6c h GLU 60 CO -0.06 0.88 0.84 0.87 -1.16 0.00 0.00 179.01 180.38 3k6c h LYS 61 N 0.19 0.13 -0.00 2.33 1.57 -1.07 -0.94 116.57 118.78 3k6c h LYS 61 Ca -0.02 -0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 3k6c h LYS 61 Cb 1.27 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 33.57 3k6c h LYS 61 CO 0.11 0.09 -0.94 1.49 -0.57 0.00 0.00 179.45 179.63 3k6c h GLU 62 N 0.14 0.64 -0.62 3.15 4.81 -1.40 -2.09 114.58 119.20 3k6c h GLU 62 Ca 0.63 -0.68 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3k6c h GLU 62 Cb 2.17 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 31.72 3k6c h GLU 62 CO -0.15 1.28 0.20 0.45 -0.73 0.00 0.00 179.01 180.05 3k6c h HIS 63 N 0.28 0.99 0.54 0.92 3.86 -1.11 -2.95 115.15 117.68 3k6c h HIS 63 Ca -0.12 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 58.97 3k6c h HIS 63 Cb 1.60 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 29.79 3k6c h HIS 63 CO 0.11 0.81 -0.26 0.00 0.86 0.00 0.00 177.93 179.46 3k6c h ALA 64 N 1.07 -0.72 0.00 2.45 0.00 -1.28 -1.24 119.26 119.55 3k6c h ALA 64 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k6c h ALA 64 Cb 0.28 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k6c h ALA 64 CO -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 179.25 178.38 3k6c n ALA 65 N -2.45 0.47 0.00 0.00 0.00 -0.79 -0.60 120.51 117.14 3k6c n ALA 65 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3k6c n ALA 65 Cb 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3k6c n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k6c n LEU 67 N 0.38 0.00 -0.03 0.00 4.77 -0.47 -2.04 117.00 119.61 3k6c n LEU 67 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3k6c n LEU 67 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3k6c n LEU 67 CO 0.00 0.00 0.93 0.25 -1.33 0.00 0.00 177.39 177.24 3k6c h LEU 68 N 0.00 0.20 -0.93 2.23 5.85 -1.12 0.30 115.31 121.83 3k6c h LEU 68 Ca 0.00 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3k6c h LEU 68 Cb 0.00 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3k6c h LEU 68 CO 0.00 0.17 0.54 -0.08 -0.34 0.00 0.00 178.44 178.73 3k6c h GLU 69 N 0.21 1.28 -0.64 1.25 4.57 -1.66 0.56 114.58 120.15 3k6c h GLU 69 Ca 0.06 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3k6c h GLU 69 Cb 0.00 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.30 3k6c h GLU 69 CO -0.01 0.91 0.36 2.35 -1.18 0.00 0.00 179.01 181.43 3k6c h TRP 70 N 1.29 0.87 -0.16 0.92 7.01 -1.67 0.33 115.95 124.54 3k6c h TRP 70 Ca 0.33 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.32 3k6c h TRP 70 Cb -0.03 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.75 3k6c h TRP 70 CO 0.01 0.62 0.09 0.82 -2.79 0.00 0.00 178.44 177.19 3k6c h ILE 71 N 0.87 1.02 -0.64 2.65 1.08 0.62 -2.86 117.51 120.25 3k6c h ILE 71 Ca 0.22 -0.07 0.10 0.00 -0.39 0.00 0.00 64.86 64.73 3k6c h ILE 71 Cb 0.03 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 34.51 3k6c h ILE 71 CO -0.04 0.04 0.25 -0.09 -0.69 0.00 0.00 178.15 177.62 3k6c h ARG 72 N 0.20 0.42 -0.88 2.37 2.43 0.11 -0.14 114.38 118.88 3k6c h ARG 72 Ca 0.06 -0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.42 3k6c h ARG 72 Cb -0.01 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.39 3k6c h ARG 72 CO -0.03 0.28 0.59 0.00 -1.51 0.00 0.00 179.97 179.30 3k6c h ARG 73 N 0.43 0.30 0.00 0.20 2.47 -0.73 -2.96 114.38 114.09 3k6c h ARG 73 Ca 0.32 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.03 3k6c h ARG 73 Cb 0.41 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3k6c h ARG 73 CO -0.32 0.20 -1.61 0.00 0.56 0.00 0.00 179.97 178.80 3k6c s ASP 75 N -3.89 4.40 0.44 0.00 -1.08 -0.66 -4.99 116.67 110.89 3k6c s ASP 75 Ca -0.02 -1.85 0.22 0.00 -0.52 0.00 0.00 52.55 50.38 3k6c s ASP 75 Cb 0.14 -1.31 0.98 0.00 -1.46 0.00 0.00 42.92 41.27 3k6c s ASP 75 CO 0.86 -0.37 1.87 -0.65 0.52 0.00 0.00 175.17 177.39 3k6c h PRO 76 N 7.82 0.00 -0.24 4.34 0.11 -1.87 -1.52 132.00 140.65 3k6c h PRO 76 Ca -0.09 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3k6c h PRO 76 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3k6c h PRO 76 CO 0.49 0.25 -0.25 0.00 -0.21 0.00 0.00 178.00 178.29 3k6c h ALA 77 N 1.75 1.14 0.09 -0.75 0.00 -1.94 0.03 119.26 119.57 3k6c h ALA 77 Ca -0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.34 3k6c h ALA 77 Cb 0.67 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3k6c h ALA 77 CO 0.03 0.54 -0.97 0.35 0.00 0.00 0.00 179.25 179.21 3k6c h PHE 78 N 0.40 0.81 -0.01 0.00 3.57 -1.86 -2.91 116.94 116.93 3k6c h PHE 78 Ca 0.06 -0.50 0.03 0.00 3.53 0.00 0.00 57.97 61.09 3k6c h PHE 78 Cb 0.64 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 3k6c h PHE 78 CO 0.02 1.35 -0.27 0.22 -2.23 0.00 0.00 178.31 177.40 3k6c h ASP 79 N 0.04 -0.80 -1.16 0.41 3.58 -1.06 -0.91 116.42 116.52 3k6c h ASP 79 Ca -0.15 0.11 0.34 0.00 0.42 0.00 0.00 57.03 57.75 3k6c h ASP 79 Cb 1.68 0.33 -0.10 0.00 1.72 0.00 0.00 39.33 42.96 3k6c h ASP 79 CO 0.19 -0.34 0.76 0.50 -2.88 0.00 0.00 179.24 177.47 3k6c h LYS 80 N -0.41 0.24 0.11 0.28 3.64 -0.99 -0.82 116.57 118.61 3k6c h LYS 80 Ca 0.06 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.23 3k6c h LYS 80 Cb 0.50 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3k6c h LYS 80 CO -0.24 0.16 -0.99 0.93 -2.27 0.00 0.00 179.45 177.04 3k6c h GLU 81 N 0.24 0.22 -0.29 1.90 4.39 -1.15 -2.61 114.58 117.28 3k6c h GLU 81 Ca 0.67 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.97 3k6c h GLU 81 Cb 1.98 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.75 3k6c h GLU 81 CO -0.31 1.18 0.09 -0.07 -1.16 0.00 0.00 179.01 178.75 3k6c h LEU 82 N -0.46 0.37 -0.03 1.33 3.38 -0.90 -0.22 115.31 118.77 3k6c h LEU 82 Ca -0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3k6c h LEU 82 Cb 1.59 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.25 3k6c h LEU 82 CO 0.07 0.37 -0.04 2.29 0.09 0.00 0.00 178.44 181.22 3k6c n LYS 83 N -4.39 0.32 0.07 1.13 2.85 -0.34 -0.07 118.16 117.72 3k6c n LYS 83 Ca 0.01 -0.03 0.12 0.00 -1.05 0.00 0.00 58.31 57.36 3k6c n LYS 83 Cb 0.15 -1.50 0.17 0.00 -0.65 0.00 0.00 35.03 33.20 3k6c n LYS 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3k6c h ASP 84 N 0.08 0.00 0.00 -5.58 3.32 -0.65 -3.42 116.42 110.17 3k6c h ASP 84 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3k6c h ASP 84 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3k6c h ASP 84 CO 0.00 0.08 -0.67 -1.22 -1.72 0.00 0.00 179.24 175.71 3k6c n TYR 85 N -2.22 0.00 -2.71 4.55 4.01 -0.83 -5.03 117.16 114.92 3k6c n TYR 85 Ca 0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 3k6c n TYR 85 Cb 0.45 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 3k6c n TYR 85 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3k6c s LEU 86 N -2.50 4.18 -2.06 7.72 2.96 0.89 -3.60 118.68 126.26 3k6c s LEU 86 Ca 0.00 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 3k6c s LEU 86 Cb 0.00 -4.20 0.00 0.00 0.50 0.00 0.00 46.19 42.49 3k6c s LEU 86 CO 0.00 -0.28 0.00 0.49 -1.32 0.00 0.00 176.35 175.24 3k6c n PHE 87 N 0.06 -0.21 -1.56 5.38 3.72 -1.26 -4.95 117.46 118.64 3k6c n PHE 87 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3k6c n PHE 87 Cb 0.51 -3.51 0.00 0.00 -0.94 0.00 0.00 39.48 35.54 3k6c n PHE 87 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3k6c n THR 88 N -2.76 0.00 -0.09 4.37 -2.24 -1.24 -5.05 114.28 107.28 3k6c n THR 88 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3k6c n THR 88 Cb 0.67 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 3k6c n THR 88 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k6c n ASN 89 N -2.30 0.00 -4.77 3.42 3.02 -1.26 -5.09 115.26 108.28 3k6c n ASN 89 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 3k6c n ASN 89 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3k6c n ASN 89 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3k6c s LYS 90 N 0.00 4.67 0.00 3.52 1.02 -1.26 -4.99 119.74 122.71 3k6c s LYS 90 Ca 0.00 1.43 -0.26 0.00 0.02 0.00 0.00 55.97 57.16 3k6c s LYS 90 Cb 0.00 -3.00 -0.13 0.00 -0.52 0.00 0.00 37.83 34.18 3k6c s LYS 90 CO 0.00 0.34 0.70 -2.30 -0.92 0.00 0.00 175.35 173.17 3k6c n PRO 91 N 0.93 0.00 0.06 -1.68 -0.02 -1.26 -4.90 135.00 128.13 3k6c n PRO 91 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 3k6c n PRO 91 Cb 0.48 -0.98 -0.08 0.00 -0.02 0.00 0.00 33.50 32.91 3k6c n PRO 91 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3k6c h ILE 92 N 1.95 0.89 0.00 4.25 2.04 -1.99 -3.39 117.51 121.26 3k6c h ILE 92 Ca -0.33 -1.07 -0.17 0.00 1.00 0.00 0.00 64.86 64.29 3k6c h ILE 92 Cb 0.93 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 3k6c h ILE 92 CO 0.42 0.22 -1.62 0.00 0.00 0.00 0.00 178.15 177.17 3k6c n ALA 93 N -2.53 1.89 0.00 1.87 0.00 -1.26 -5.14 120.51 115.34 3k6c n ALA 93 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3k6c n ALA 93 Cb 0.27 0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3k6c n ALA 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08