#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 3.07 3.50 0.27 0.00 -1.26 -5.02 105.19 105.76 3k6c n GLY 5 Ca 0.00 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.78 3.16 -1.14 1.61 2.02 -1.26 -4.89 117.35 116.08 3k6c s TYR 6 Ca 0.00 -0.24 0.19 0.00 -0.37 0.00 0.00 57.07 56.65 3k6c s TYR 6 Cb 0.00 -2.92 -0.16 0.00 -0.40 0.00 0.00 41.96 38.48 3k6c s TYR 6 CO 0.00 -0.67 0.86 1.19 -1.57 0.00 0.00 175.55 175.36 3k6c n PHE 7 N 5.66 0.00 -4.37 2.71 3.01 -1.26 -4.90 117.46 118.31 3k6c n PHE 7 Ca -0.07 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.13 3k6c n PHE 7 Cb 0.48 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.83 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 -2.66 1.37 0.30 -1.08 0.41 -1.26 -5.10 118.70 110.68 3k6c s GLU 8 Ca 0.10 -1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 52.98 3k6c s GLU 8 Cb 0.15 -1.70 -0.12 0.00 -1.78 0.00 0.00 34.13 30.68 3k6c s GLU 8 CO 0.71 0.38 1.45 -2.30 -0.49 0.00 0.00 175.26 175.01 3k6c n PRO 9 N 0.63 2.36 -0.22 0.39 -0.02 -1.26 -4.85 135.00 132.03 3k6c n PRO 9 Ca -0.16 0.84 -0.01 0.00 -2.02 0.00 0.00 63.50 62.15 3k6c n PRO 9 Cb 0.55 -2.52 0.20 0.00 -0.02 0.00 0.00 33.50 31.71 3k6c n PRO 9 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3k6c h THR 10 N 2.99 1.21 0.00 3.45 1.35 -1.96 0.03 112.91 119.99 3k6c h THR 10 Ca -0.47 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3k6c h THR 10 Cb 1.26 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3k6c h THR 10 CO 0.71 0.23 0.04 0.00 -0.25 0.00 0.00 175.52 176.26 3k6c n GLN 11 N -4.37 0.14 0.00 4.72 0.00 -1.26 -1.52 117.38 115.08 3k6c n GLN 11 Ca 0.08 0.63 0.11 0.00 0.00 0.00 0.00 57.00 57.82 3k6c n GLN 11 Cb 0.08 -1.99 -0.03 0.00 0.00 0.00 0.00 30.24 28.30 3k6c n GLN 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3k6c n GLU 12 N -2.25 0.34 -4.37 2.61 1.02 -0.00 -4.92 120.64 113.06 3k6c n GLU 12 Ca -0.01 -0.27 -0.34 0.00 -0.02 0.00 0.00 57.16 56.52 3k6c n GLU 12 Cb 0.08 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.85 3.48 0.69 -4.62 1.43 -0.58 -5.05 118.68 111.18 3k6c s LEU 13 Ca 0.12 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.11 3k6c s LEU 13 Cb 0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3k6c s LEU 13 CO 0.76 0.33 1.12 -0.94 0.23 0.00 0.00 176.35 177.85 3k6c s SER 14 N -1.22 4.90 0.42 2.29 1.04 -1.26 -4.87 113.70 115.00 3k6c s SER 14 Ca 0.16 2.01 0.21 0.00 0.48 0.00 0.00 55.95 58.81 3k6c s SER 14 Cb -0.11 -2.55 1.17 0.00 0.10 0.00 0.00 66.02 64.63 3k6c s SER 14 CO 0.06 -1.77 1.78 0.44 0.98 0.00 0.00 173.24 174.73 3k6c h ASP 15 N -0.20 0.38 -0.01 7.02 3.32 -1.98 -1.11 116.42 123.84 3k6c h ASP 15 Ca -0.46 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3k6c h ASP 15 Cb 1.25 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 3k6c h ASP 15 CO 0.53 0.07 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.03 3k6c h GLU 16 N 0.33 0.02 -0.53 3.56 4.81 -1.99 0.12 114.58 120.90 3k6c h GLU 16 Ca 0.59 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 3k6c h GLU 16 Cb 1.61 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.97 3k6c h GLU 16 CO -0.26 0.48 0.35 1.15 -0.73 0.00 0.00 179.01 180.00 3k6c h THR 17 N -0.44 1.14 0.05 0.32 2.02 -1.84 -2.71 112.91 111.45 3k6c h THR 17 Ca 0.00 -0.26 -0.23 0.00 0.77 0.00 0.00 66.41 66.69 3k6c h THR 17 Cb 0.48 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 3k6c h THR 17 CO 0.00 0.13 -1.07 0.03 0.37 0.00 0.00 175.52 174.99 3k6c h ARG 18 N 0.72 0.18 -1.16 6.66 3.08 -0.95 0.21 114.38 123.12 3k6c h ARG 18 Ca 0.19 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3k6c h ARG 18 Cb -0.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3k6c h ARG 18 CO -0.04 1.08 0.00 -0.25 -1.07 0.00 0.00 179.97 179.69 3k6c n ASP 19 N -3.52 0.33 0.00 7.04 8.00 0.38 -1.09 116.55 127.68 3k6c n ASP 19 Ca -0.05 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3k6c n ASP 19 Cb 0.94 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 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 0.72 0.00 -0.35 1.24 -0.00 0.06 -1.00 115.22 115.90 3k6c n HIS 21 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 3k6c n HIS 21 Cb 0.06 0.00 0.22 0.00 -0.00 0.00 0.00 29.99 30.27 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 0.93 -0.05 1.57 3.08 -1.39 0.16 114.38 118.69 3k6c h ARG 22 Ca 0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3k6c h ARG 22 Cb 0.00 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 3k6c h ARG 22 CO 0.00 0.62 -0.03 0.00 -1.07 0.00 0.00 179.97 179.48 3k6c h ALA 23 N 1.52 0.07 -0.36 0.04 0.00 -1.34 -2.33 119.26 116.86 3k6c h ALA 23 Ca 0.48 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3k6c h ALA 23 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3k6c h ALA 23 CO -0.26 -0.17 0.13 0.82 0.00 0.00 0.00 179.25 179.77 3k6c h ILE 24 N -0.32 1.20 -0.36 0.00 2.04 -1.78 -0.08 117.51 118.21 3k6c h ILE 24 Ca 0.01 -0.62 -0.16 0.00 1.00 0.00 0.00 64.86 65.09 3k6c h ILE 24 Cb 0.50 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3k6c h ILE 24 CO 0.01 0.22 -0.40 -0.29 0.00 0.00 0.00 178.15 177.69 3k6c h ILE 25 N 0.44 1.28 -0.35 -0.67 2.10 -1.03 0.11 117.51 119.38 3k6c h ILE 25 Ca 0.12 -1.58 0.06 0.00 1.08 0.00 0.00 64.86 64.54 3k6c h ILE 25 Cb 0.21 1.42 -0.05 0.00 -1.09 0.00 0.00 36.82 37.31 3k6c h ILE 25 CO -0.01 0.52 0.04 0.28 -1.08 0.00 0.00 178.15 177.91 3k6c h SER 26 N 0.72 -0.05 -0.74 2.19 0.02 -1.36 -0.71 113.55 113.61 3k6c h SER 26 Ca 0.05 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3k6c h SER 26 Cb 0.99 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 3k6c h SER 26 CO 0.10 0.01 0.48 0.25 -1.14 0.00 0.00 176.83 176.53 3k6c h LEU 27 N 0.15 0.83 -0.65 5.07 5.85 -0.50 -1.52 115.31 124.55 3k6c h LEU 27 Ca 0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3k6c h LEU 27 Cb 0.21 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3k6c h LEU 27 CO -0.25 0.59 0.41 0.03 -0.34 0.00 0.00 178.44 178.89 3k6c h ARG 28 N 0.98 0.87 -0.70 1.25 3.08 -0.35 -1.53 114.38 117.98 3k6c h ARG 28 Ca 0.28 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3k6c h ARG 28 Cb -0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 3k6c h ARG 28 CO -0.07 0.60 0.26 0.93 -1.07 0.00 0.00 179.97 180.62 3k6c h GLU 29 N 0.88 1.05 -0.46 0.04 5.08 -0.88 0.60 114.58 120.90 3k6c h GLU 29 Ca 0.24 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3k6c h GLU 29 Cb -0.07 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3k6c h GLU 29 CO -0.05 0.88 -0.21 1.49 -1.00 0.00 0.00 179.01 180.12 3k6c h GLU 30 N 1.00 0.96 -0.74 2.33 4.57 -1.09 0.13 114.58 121.74 3k6c h GLU 30 Ca 0.23 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3k6c h GLU 30 Cb 0.24 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3k6c h GLU 30 CO -0.02 1.08 0.30 -0.07 -1.18 0.00 0.00 179.01 179.13 3k6c h LEU 31 N 0.80 1.02 -0.19 1.64 3.38 -1.11 -1.46 115.31 119.39 3k6c h LEU 31 Ca 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k6c h LEU 31 Cb 0.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3k6c h LEU 31 CO 0.07 0.91 0.12 -0.08 0.09 0.00 0.00 178.44 179.55 3k6c h GLU 32 N 1.07 0.24 -0.75 1.13 4.81 -0.61 -1.88 114.58 118.59 3k6c h GLU 32 Ca 0.25 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.61 3k6c h GLU 32 Cb 0.21 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 3k6c h GLU 32 CO -0.02 0.16 0.26 0.00 -0.73 0.00 0.00 179.01 178.67 3k6c h ALA 33 N 1.08 1.03 -0.09 2.92 0.00 -0.50 -0.43 119.26 123.27 3k6c h ALA 33 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3k6c h ALA 33 Cb -0.02 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k6c h ALA 33 CO -0.02 -0.27 0.06 0.28 0.00 0.00 0.00 179.25 179.30 3k6c h VAL 34 N 0.37 1.04 -0.23 0.00 2.07 -0.85 -1.10 116.25 117.55 3k6c h VAL 34 Ca 0.42 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.87 3k6c h VAL 34 Cb 0.67 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3k6c h VAL 34 CO -0.45 0.04 0.06 -0.78 0.02 0.00 0.00 177.57 176.46 3k6c h ASP 35 N 0.10 0.05 -0.13 0.57 1.82 -0.89 -1.38 116.42 116.57 3k6c h ASP 35 Ca 0.03 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 3k6c h ASP 35 Cb 0.01 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 3k6c h ASP 35 CO -0.01 0.06 0.04 -0.07 -1.61 0.00 0.00 179.24 177.66 3k6c h LEU 36 N 0.16 0.19 -0.96 2.28 4.07 -1.01 -0.45 115.31 119.58 3k6c h LEU 36 Ca 0.10 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 57.91 3k6c h LEU 36 Cb 0.08 -0.05 -0.06 0.00 1.08 0.00 0.00 40.66 41.71 3k6c h LEU 36 CO -0.12 0.33 0.62 1.88 -1.08 0.00 0.00 178.44 180.08 3k6c h TYR 37 N 0.03 1.17 -0.52 1.13 0.05 -1.20 0.89 116.97 118.51 3k6c h TYR 37 Ca 0.04 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3k6c h TYR 37 Cb 0.21 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3k6c h TYR 37 CO -0.00 0.65 0.30 -0.97 -1.05 0.00 0.00 178.16 177.09 3k6c h ASN 38 N 1.19 0.64 -0.50 3.88 -1.24 -0.94 0.48 115.58 119.08 3k6c h ASN 38 Ca 0.39 -0.07 -0.10 0.00 0.71 0.00 0.00 56.30 57.23 3k6c h ASN 38 Cb 0.05 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 3k6c h ASN 38 CO -0.14 0.53 -0.09 1.56 -1.29 0.00 0.00 177.43 178.00 3k6c h GLN 39 N 0.70 0.95 -0.23 6.67 4.20 -0.57 -1.95 115.11 124.87 3k6c h GLN 39 Ca 0.19 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 3k6c h GLN 39 Cb 0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3k6c h GLN 39 CO -0.03 1.01 0.08 0.00 -0.67 0.00 0.00 178.83 179.22 3k6c h ARG 40 N 0.81 0.36 -0.69 1.46 3.08 -0.35 -1.77 114.38 117.27 3k6c h ARG 40 Ca 0.13 -0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.25 3k6c h ARG 40 Cb 0.64 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 3k6c h ARG 40 CO 0.04 0.43 0.20 0.28 -1.07 0.00 0.00 179.97 179.85 3k6c h VAL 41 N 0.21 0.61 -0.60 2.04 2.07 0.04 0.32 116.25 120.93 3k6c h VAL 41 Ca 0.08 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 3k6c h VAL 41 Cb 0.22 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3k6c h VAL 41 CO -0.00 0.06 0.22 -1.13 0.02 0.00 0.00 177.57 176.74 3k6c h ASN 42 N 0.32 0.81 0.37 0.57 -0.73 -0.92 -3.24 115.58 112.77 3k6c h ASN 42 Ca 0.38 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.44 3k6c h ASN 42 Cb 0.60 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.98 3k6c h ASN 42 CO -0.44 0.73 -1.31 0.00 -0.37 0.00 0.00 177.43 176.05 3k6c n ALA 43 N -2.45 3.18 -1.73 1.57 0.00 -0.62 -4.98 120.51 115.47 3k6c n ALA 43 Ca 0.05 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3k6c n ALA 43 Cb 0.18 -0.91 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 2.75 3.47 -3.44 0.00 4.76 -1.26 -4.94 118.16 119.49 3k6c n LYS 45 Ca 0.11 -4.65 0.01 0.00 -2.87 0.00 0.00 58.31 50.91 3k6c n LYS 45 Cb 0.35 -2.26 -0.03 0.00 -1.84 0.00 0.00 35.03 31.24 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 -3.19 -0.96 0.27 4.39 -1.08 -1.26 -5.09 116.67 109.75 3k6c s ASP 46 Ca 0.48 1.11 -0.02 0.00 -0.52 0.00 0.00 52.55 53.61 3k6c s ASP 46 Cb 0.32 2.01 0.45 0.00 -1.46 0.00 0.00 42.92 44.25 3k6c s ASP 46 CO -0.17 -0.18 1.85 0.11 0.52 0.00 0.00 175.17 177.30 3k6c h LYS 47 N 7.85 1.01 0.76 4.34 1.57 -1.98 0.80 116.57 130.92 3k6c h LYS 47 Ca -0.18 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3k6c h LYS 47 Cb 1.12 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.21 3k6c h LYS 47 CO 0.11 0.67 -0.37 0.93 -0.57 0.00 0.00 179.45 180.22 3k6c h GLU 48 N 1.04 -0.99 -0.56 3.15 3.07 -1.99 -1.46 114.58 116.83 3k6c h GLU 48 Ca 0.45 0.07 0.11 0.00 -0.50 0.00 0.00 59.36 59.49 3k6c h GLU 48 Cb 0.31 0.22 -0.11 0.00 -0.84 0.00 0.00 28.75 28.34 3k6c h GLU 48 CO -0.22 -0.66 -0.19 1.25 -1.40 0.00 0.00 179.01 177.80 3k6c h LEU 49 N -1.14 -0.67 -0.75 1.33 5.85 -1.98 0.85 115.31 118.80 3k6c h LEU 49 Ca -0.10 0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.97 3k6c h LEU 49 Cb 0.78 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 42.09 3k6c h LEU 49 CO 0.17 -0.22 0.06 0.50 -0.34 0.00 0.00 178.44 178.61 3k6c h LYS 50 N -0.05 0.14 -0.83 1.25 3.64 -0.74 0.15 116.57 120.13 3k6c h LYS 50 Ca 0.27 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3k6c h LYS 50 Cb 0.46 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3k6c h LYS 50 CO -0.61 0.09 0.52 0.00 -2.27 0.00 0.00 179.45 177.19 3k6c h ALA 51 N 1.68 1.34 -0.21 5.00 0.00 0.28 -0.76 119.26 126.59 3k6c h ALA 51 Ca 0.42 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 3k6c h ALA 51 Cb 0.74 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3k6c h ALA 51 CO -0.62 0.58 -0.61 0.82 0.00 0.00 0.00 179.25 179.42 3k6c h ILE 52 N 1.14 1.29 0.06 0.00 5.03 -0.62 -1.63 117.51 122.78 3k6c h ILE 52 Ca 0.30 -1.81 0.02 0.00 -0.12 0.00 0.00 64.86 63.25 3k6c h ILE 52 Cb -0.08 1.86 -0.05 0.00 -3.03 0.00 0.00 36.82 35.52 3k6c h ILE 52 CO -0.06 0.58 -0.41 -0.07 -0.68 0.00 0.00 178.15 177.51 3k6c h LEU 53 N 0.51 -1.22 -1.21 1.44 3.38 -0.93 0.43 115.31 117.71 3k6c h LEU 53 Ca -0.02 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3k6c h LEU 53 Cb 1.23 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 3k6c h LEU 53 CO 0.13 -0.47 0.30 0.00 0.09 0.00 0.00 178.44 178.49 3k6c h ALA 54 N -0.08 1.39 0.60 1.53 0.00 -1.12 -1.48 119.26 120.10 3k6c h ALA 54 Ca 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3k6c h ALA 54 Cb 0.66 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.21 3k6c h ALA 54 CO -0.27 0.48 -0.29 1.25 0.00 0.00 0.00 179.25 180.42 3k6c h HIS 55 N 0.84 -0.75 -0.99 0.00 -0.00 -1.14 -2.51 115.15 110.60 3k6c h HIS 55 Ca 0.21 -0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.72 3k6c h HIS 55 Cb 0.07 0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 27.64 3k6c h HIS 55 CO 0.01 -0.42 0.62 -0.91 -0.00 0.00 0.00 177.93 177.23 3k6c h ASN 56 N -1.02 0.83 0.30 3.26 2.35 -0.67 -1.51 115.58 119.12 3k6c h ASN 56 Ca -0.08 0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 3k6c h ASN 56 Cb 0.67 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3k6c h ASN 56 CO 0.14 0.37 -0.40 -0.09 -1.65 0.00 0.00 177.43 175.79 3k6c h ARG 57 N 0.85 0.14 0.04 0.81 2.43 -1.27 -2.20 114.38 115.18 3k6c h ARG 57 Ca 0.53 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 59.38 3k6c h ARG 57 Cb 0.72 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3k6c h ARG 57 CO -0.31 0.53 -1.30 -0.44 -1.51 0.00 0.00 179.97 176.94 3k6c h ASP 58 N 0.12 0.13 -0.50 -3.80 3.32 -0.82 -3.20 116.42 111.67 3k6c h ASP 58 Ca 0.01 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3k6c h ASP 58 Cb 0.77 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 3k6c h ASP 58 CO 0.06 1.14 0.17 -0.33 -1.72 0.00 0.00 179.24 178.55 3k6c h GLU 59 N 0.02 0.83 -0.19 3.56 5.08 -1.49 -3.12 114.58 119.28 3k6c h GLU 59 Ca -0.13 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 3k6c h GLU 59 Cb 1.90 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 3k6c h GLU 59 CO 0.13 0.73 -0.06 0.93 -1.00 0.00 0.00 179.01 179.74 3k6c h GLU 60 N 0.81 0.29 -0.66 2.33 4.39 -1.42 -1.05 114.58 119.27 3k6c h GLU 60 Ca 0.18 -0.05 0.18 0.00 0.34 0.00 0.00 59.36 60.01 3k6c h GLU 60 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3k6c h GLU 60 CO -0.01 0.36 0.47 0.87 -1.16 0.00 0.00 179.01 179.54 3k6c h LYS 61 N 0.28 0.10 0.22 2.33 1.57 -1.54 -0.46 116.57 119.06 3k6c h LYS 61 Ca 0.06 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.55 3k6c h LYS 61 Cb 0.29 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.61 3k6c h LYS 61 CO 0.01 0.07 -1.25 1.49 -0.57 0.00 0.00 179.45 179.20 3k6c h GLU 62 N 0.11 0.46 -0.19 3.15 4.81 -1.28 -1.57 114.58 120.06 3k6c h GLU 62 Ca 0.32 -0.78 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 3k6c h GLU 62 Cb 1.12 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 3k6c h GLU 62 CO -0.04 1.37 -0.09 0.45 -0.73 0.00 0.00 179.01 179.98 3k6c h HIS 63 N -0.04 -0.22 -0.00 0.92 3.86 -1.17 -2.65 115.15 115.85 3k6c h HIS 63 Ca -0.22 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 3k6c h HIS 63 Cb 1.98 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 30.53 3k6c h HIS 63 CO 0.15 -0.14 -0.28 0.00 0.86 0.00 0.00 177.93 178.52 3k6c h ALA 64 N 1.09 -0.39 0.00 2.45 0.00 -1.12 -1.80 119.26 119.50 3k6c h ALA 64 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k6c h ALA 64 Cb 0.22 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k6c h ALA 64 CO -0.23 -0.79 0.00 0.00 0.00 0.00 0.00 179.25 178.23 3k6c n ALA 65 N -2.71 1.14 0.00 0.00 0.00 -0.59 -1.71 120.51 116.65 3k6c n ALA 65 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3k6c n ALA 65 Cb 0.30 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.73 0.00 -0.08 0.00 4.77 -0.68 -1.80 117.00 119.94 3k6c n LEU 67 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 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 0.49 0.25 -1.33 0.00 0.00 177.39 176.80 3k6c h LEU 68 N 0.00 0.86 -0.45 2.23 5.85 -1.60 -2.28 115.31 119.92 3k6c h LEU 68 Ca 0.00 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.26 3k6c h LEU 68 Cb 0.00 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 3k6c h LEU 68 CO 0.00 1.20 0.17 -0.08 -0.34 0.00 0.00 178.44 179.40 3k6c h GLU 69 N 0.54 0.34 -0.67 1.25 4.57 -1.62 0.20 114.58 119.18 3k6c h GLU 69 Ca 0.03 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3k6c h GLU 69 Cb 1.02 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 3k6c h GLU 69 CO 0.10 0.23 0.44 2.35 -1.18 0.00 0.00 179.01 180.95 3k6c h TRP 70 N 0.35 0.66 -0.23 0.92 7.01 -1.77 -0.95 115.95 121.94 3k6c h TRP 70 Ca 0.21 0.02 -0.20 0.00 2.11 0.00 0.00 58.89 61.03 3k6c h TRP 70 Cb 0.19 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 3k6c h TRP 70 CO -0.15 0.34 -0.64 0.82 -2.79 0.00 0.00 178.44 176.03 3k6c h ILE 71 N 0.64 1.28 -0.77 2.65 2.04 -0.37 -3.18 117.51 119.81 3k6c h ILE 71 Ca 0.30 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 3k6c h ILE 71 Cb 0.33 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3k6c h ILE 71 CO -0.10 0.59 0.44 -0.09 0.00 0.00 0.00 178.15 179.00 3k6c h ARG 72 N 0.61 1.05 -0.35 2.37 2.43 0.64 -2.16 114.38 118.96 3k6c h ARG 72 Ca -0.01 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3k6c h ARG 72 Cb 1.25 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3k6c h ARG 72 CO 0.14 0.75 -0.08 0.00 -1.51 0.00 0.00 179.97 179.26 3k6c h ARG 73 N 1.06 0.60 -0.24 0.20 3.08 -1.39 -3.03 114.38 114.66 3k6c h ARG 73 Ca 0.27 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3k6c h ARG 73 Cb -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3k6c h ARG 73 CO -0.05 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 3k6c s ASP 75 N -1.64 2.29 0.54 0.00 -1.08 -0.99 -4.98 116.67 110.82 3k6c s ASP 75 Ca 0.35 -1.81 0.32 0.00 -0.52 0.00 0.00 52.55 50.88 3k6c s ASP 75 Cb 0.21 0.00 1.44 0.00 -1.46 0.00 0.00 42.92 43.11 3k6c s ASP 75 CO 0.30 -0.31 2.02 -0.65 0.52 0.00 0.00 175.17 177.06 3k6c h PRO 76 N 7.22 0.00 -0.39 4.34 0.11 -1.86 -0.53 132.00 140.89 3k6c h PRO 76 Ca 0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3k6c h PRO 76 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3k6c h PRO 76 CO 0.26 0.07 -0.21 0.00 -0.21 0.00 0.00 178.00 177.91 3k6c h ALA 77 N 1.93 0.90 0.21 -0.75 0.00 -1.93 -2.02 119.26 117.60 3k6c h ALA 77 Ca -0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 3k6c h ALA 77 Cb 0.46 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3k6c h ALA 77 CO 0.01 0.62 -1.46 0.35 0.00 0.00 0.00 179.25 178.77 3k6c h PHE 78 N 0.66 0.80 0.16 0.00 3.04 -1.50 -3.05 116.94 117.07 3k6c h PHE 78 Ca 0.10 -0.59 0.00 0.00 3.98 0.00 0.00 57.97 61.46 3k6c h PHE 78 Cb 0.71 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 3k6c h PHE 78 CO 0.04 1.49 -0.14 0.22 -2.02 0.00 0.00 178.31 177.90 3k6c h ASP 79 N 0.12 -0.37 -0.79 0.41 3.58 -1.15 -1.58 116.42 116.63 3k6c h ASP 79 Ca -0.24 0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.40 3k6c h ASP 79 Cb 2.11 0.13 -0.15 0.00 1.72 0.00 0.00 39.33 43.14 3k6c h ASP 79 CO 0.24 -0.22 -0.22 0.50 -2.88 0.00 0.00 179.24 176.66 3k6c h LYS 80 N -0.33 -0.01 -0.35 0.28 3.64 -1.39 -1.95 116.57 116.46 3k6c h LYS 80 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3k6c h LYS 80 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3k6c h LYS 80 CO -0.03 -0.01 -0.34 0.93 -2.27 0.00 0.00 179.45 177.73 3k6c h GLU 81 N -0.01 0.79 -0.24 1.90 4.39 -1.38 -2.52 114.58 117.51 3k6c h GLU 81 Ca 0.37 -0.39 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3k6c h GLU 81 Cb 0.58 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3k6c h GLU 81 CO -0.82 1.01 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.84 3k6c h LEU 82 N 0.66 0.39 -0.21 1.33 3.38 -1.01 -2.76 115.31 117.09 3k6c h LEU 82 Ca 0.07 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 3k6c h LEU 82 Cb 0.89 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3k6c h LEU 82 CO 0.08 0.56 -0.92 0.11 0.09 0.00 0.00 178.44 178.35 3k6c h LYS 83 N 0.38 0.15 -0.45 1.13 1.57 -1.16 0.19 116.57 118.38 3k6c h LYS 83 Ca 0.07 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 3k6c h LYS 83 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3k6c h LYS 83 CO 0.03 0.97 0.02 -0.44 -0.57 0.00 0.00 179.45 179.46 3k6c h ASP 84 N 0.07 0.75 0.00 0.86 3.32 -1.18 -3.38 116.42 116.87 3k6c h ASP 84 Ca -0.04 -0.29 -0.34 0.00 0.02 0.00 0.00 57.03 56.37 3k6c h ASP 84 Cb 1.58 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.87 3k6c h ASP 84 CO 0.14 0.86 -2.30 -1.22 -1.72 0.00 0.00 179.24 175.00 3k6c n TYR 85 N -4.41 0.00 -2.00 4.55 4.02 -1.07 -4.92 117.16 113.33 3k6c n TYR 85 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 3k6c n TYR 85 Cb 0.28 -0.91 -0.01 0.00 -0.02 0.00 0.00 39.34 38.68 3k6c n TYR 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3k6c s LEU 86 N -5.75 4.27 -1.19 7.72 1.43 0.05 -3.30 118.68 121.92 3k6c s LEU 86 Ca -0.18 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3k6c s LEU 86 Cb 0.07 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 3k6c s LEU 86 CO 0.68 -0.81 0.76 0.49 0.23 0.00 0.00 176.35 177.70 3k6c n PHE 87 N 0.31 -1.99 -4.40 0.29 3.72 -1.26 -4.92 117.46 109.21 3k6c n PHE 87 Ca 0.02 0.65 -0.24 0.00 -0.05 0.00 0.00 57.45 57.84 3k6c n PHE 87 Cb 0.42 -3.85 -0.04 0.00 -0.94 0.00 0.00 39.48 35.08 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 -4.05 0.00 0.00 4.37 -2.24 -1.21 -5.08 114.28 106.07 3k6c n THR 88 Ca -0.16 -1.77 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 3k6c n THR 88 Cb 0.63 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 -1.38 2.04 -4.79 3.42 3.02 -1.26 -5.07 115.26 111.24 3k6c n ASN 89 Ca -0.13 -0.16 -0.32 0.00 -0.03 0.00 0.00 54.58 53.94 3k6c n ASN 89 Cb 0.48 0.73 0.04 0.00 -0.61 0.00 0.00 39.78 40.42 3k6c n ASN 89 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3k6c s LYS 90 N -1.14 2.99 -0.05 3.52 -2.85 -1.26 -4.94 119.74 116.01 3k6c s LYS 90 Ca 0.00 1.23 -0.34 0.00 -1.00 0.00 0.00 55.97 55.86 3k6c s LYS 90 Cb 0.00 -1.99 -0.17 0.00 -2.06 0.00 0.00 37.83 33.62 3k6c s LYS 90 CO 0.00 -1.08 0.96 -0.35 0.10 0.00 0.00 175.35 174.98 3k6c n PRO 91 N -2.46 0.00 0.09 1.78 -0.04 -1.26 -4.86 135.00 128.26 3k6c n PRO 91 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3k6c n PRO 91 Cb 0.53 -1.26 0.30 0.00 -0.04 0.00 0.00 33.50 33.03 3k6c n PRO 91 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3k6c h ILE 92 N 2.73 1.24 -3.20 0.52 1.08 -1.99 -3.46 117.51 114.43 3k6c h ILE 92 Ca -0.42 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 62.93 3k6c h ILE 92 Cb 1.20 1.40 -0.09 0.00 -3.07 0.00 0.00 36.82 36.25 3k6c h ILE 92 CO 0.58 0.34 0.10 0.00 -0.69 0.00 0.00 178.15 178.48 3k6c s ALA 93 N -4.49 -1.07 0.00 1.87 0.00 -1.26 -5.00 121.76 111.81 3k6c s ALA 93 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.75 3k6c s ALA 93 Cb 0.14 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.15 3k6c s ALA 93 CO 0.75 -0.86 0.74 1.58 0.00 0.00 0.00 175.76 177.97 3k6c n HIS 94 N -0.38 0.00 0.36 0.00 -0.00 -1.26 -5.24 115.22 108.70 3k6c n HIS 94 Ca -0.09 -0.20 0.04 0.00 0.46 0.00 0.00 57.72 57.93 3k6c n HIS 94 Cb 0.62 0.31 0.04 0.00 -0.12 0.00 0.00 29.99 30.83 3k6c n HIS 94 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89