#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 1.25 3.64 6.12 0.00 -1.26 -5.04 105.19 109.90 3k6c n GLY 5 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.47 3.30 -0.23 1.61 2.02 -1.26 -4.91 117.35 115.40 3k6c s TYR 6 Ca 0.00 1.04 0.22 0.00 -0.37 0.00 0.00 57.07 57.96 3k6c s TYR 6 Cb 0.00 -3.01 -0.15 0.00 -0.40 0.00 0.00 41.96 38.41 3k6c s TYR 6 CO 0.00 -0.39 0.79 1.19 -1.57 0.00 0.00 175.55 175.57 3k6c n PHE 7 N 5.95 0.40 -4.85 2.71 3.01 -1.26 -4.90 117.46 118.52 3k6c n PHE 7 Ca 0.04 0.12 -0.28 0.00 1.01 0.00 0.00 57.45 58.33 3k6c n PHE 7 Cb 0.48 -0.64 -0.15 0.00 -0.01 0.00 0.00 39.48 39.16 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 -3.39 1.66 0.25 -1.08 0.41 -1.26 -5.09 118.70 110.19 3k6c s GLU 8 Ca -0.03 -1.00 -0.30 0.00 -0.41 0.00 0.00 54.97 53.22 3k6c s GLU 8 Cb 0.12 -1.78 -0.14 0.00 -1.78 0.00 0.00 34.13 30.56 3k6c s GLU 8 CO 0.85 0.46 1.28 -2.30 -0.49 0.00 0.00 175.26 175.06 3k6c n PRO 9 N 1.91 1.78 -0.23 0.39 -0.02 -1.26 -4.84 135.00 132.73 3k6c n PRO 9 Ca -0.17 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 3k6c n PRO 9 Cb 0.52 -2.20 0.37 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.73 0.92 0.00 3.45 1.35 -1.95 -1.54 112.91 117.87 3k6c h THR 10 Ca -0.44 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3k6c h THR 10 Cb 1.30 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3k6c h THR 10 CO 0.70 0.13 0.01 1.56 -0.25 0.00 0.00 175.52 177.67 3k6c h GLN 11 N 0.72 0.00 -0.44 4.72 4.20 -2.02 -1.24 115.11 121.05 3k6c h GLN 11 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3k6c h GLN 11 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3k6c h GLN 11 CO -0.15 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.40 3k6c n GLU 12 N -2.74 2.30 -5.09 1.46 1.02 -0.58 -4.89 120.64 112.13 3k6c n GLU 12 Ca -0.02 -1.99 -0.32 0.00 -0.02 0.00 0.00 57.16 54.81 3k6c n GLU 12 Cb 0.06 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.28 2.38 0.79 -4.62 1.43 -0.47 -5.02 118.68 111.90 3k6c s LEU 13 Ca 0.38 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 3k6c s LEU 13 Cb 0.21 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 45.04 3k6c s LEU 13 CO 0.28 0.31 1.11 -0.94 0.23 0.00 0.00 176.35 177.34 3k6c s SER 14 N -0.51 4.17 0.47 2.29 1.04 -1.26 -4.85 113.70 115.04 3k6c s SER 14 Ca 0.07 1.96 0.22 0.00 0.48 0.00 0.00 55.95 58.68 3k6c s SER 14 Cb -0.11 -2.54 1.22 0.00 0.10 0.00 0.00 66.02 64.69 3k6c s SER 14 CO 0.01 -2.26 1.90 0.44 0.98 0.00 0.00 173.24 174.30 3k6c h ASP 15 N -1.13 0.24 0.85 7.02 3.32 -1.99 -1.45 116.42 123.28 3k6c h ASP 15 Ca -0.44 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.43 3k6c h ASP 15 Cb 1.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3k6c h ASP 15 CO 0.49 0.11 -0.94 -0.08 -1.72 0.00 0.00 179.24 177.09 3k6c h GLU 16 N 0.25 0.05 -0.06 3.56 4.81 -1.99 -1.10 114.58 120.09 3k6c h GLU 16 Ca 0.40 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.35 3k6c h GLU 16 Cb 1.21 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3k6c h GLU 16 CO -0.10 0.95 -0.83 1.15 -0.73 0.00 0.00 179.01 179.45 3k6c h THR 17 N 0.02 1.36 -0.04 0.32 2.02 -1.81 -3.26 112.91 111.52 3k6c h THR 17 Ca -0.02 -2.21 -0.15 0.00 0.77 0.00 0.00 66.41 64.80 3k6c h THR 17 Cb 1.64 2.20 -0.01 0.00 -1.74 0.00 0.00 68.15 70.24 3k6c h THR 17 CO 0.13 0.67 -0.64 0.03 0.37 0.00 0.00 175.52 176.08 3k6c h ARG 18 N 0.32 0.18 -1.20 6.66 3.08 -1.20 0.63 114.38 122.85 3k6c h ARG 18 Ca -0.06 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3k6c h ARG 18 Cb 1.44 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.51 3k6c h ARG 18 CO 0.15 0.76 0.00 -0.25 -1.07 0.00 0.00 179.97 179.56 3k6c n ASP 19 N -3.83 1.01 0.00 7.04 8.00 -0.43 -0.58 116.55 127.77 3k6c n ASP 19 Ca -0.02 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.62 3k6c n ASP 19 Cb 0.64 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.62 0.00 -0.29 1.24 -0.00 0.21 -0.99 115.22 116.02 3k6c n HIS 21 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 3k6c n HIS 21 Cb 0.18 0.00 0.23 0.00 -0.00 0.00 0.00 29.99 30.40 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 1.02 0.29 1.57 3.08 -1.10 -0.50 114.38 118.73 3k6c h ARG 22 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3k6c h ARG 22 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3k6c h ARG 22 CO 0.00 0.67 -0.14 0.00 -1.07 0.00 0.00 179.97 179.43 3k6c h ALA 23 N 1.50 -0.39 -0.27 0.04 0.00 -1.33 -2.45 119.26 116.37 3k6c h ALA 23 Ca 0.37 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3k6c h ALA 23 Cb 0.13 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3k6c h ALA 23 CO -0.13 -0.50 0.10 0.82 0.00 0.00 0.00 179.25 179.55 3k6c h ILE 24 N -0.84 0.95 -0.38 0.00 2.04 -1.78 -1.09 117.51 116.42 3k6c h ILE 24 Ca -0.04 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 3k6c h ILE 24 Cb 0.52 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3k6c h ILE 24 CO 0.07 0.04 -0.31 -0.29 0.00 0.00 0.00 178.15 177.65 3k6c h ILE 25 N 0.23 1.28 -0.87 -0.67 2.10 -1.18 0.12 117.51 118.52 3k6c h ILE 25 Ca 0.12 -1.47 0.06 0.00 1.08 0.00 0.00 64.86 64.65 3k6c h ILE 25 Cb 0.07 1.32 -0.06 0.00 -1.09 0.00 0.00 36.82 37.07 3k6c h ILE 25 CO -0.11 0.49 0.57 0.28 -1.08 0.00 0.00 178.15 178.30 3k6c h SER 26 N 0.70 0.87 -0.24 2.19 0.02 -1.27 -1.07 113.55 114.74 3k6c h SER 26 Ca 0.08 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 3k6c h SER 26 Cb 0.86 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3k6c h SER 26 CO 0.08 0.56 -0.41 0.25 -1.14 0.00 0.00 176.83 176.16 3k6c h LEU 27 N 0.98 0.78 -1.26 5.07 5.85 -0.45 -1.49 115.31 124.79 3k6c h LEU 27 Ca 0.37 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3k6c h LEU 27 Cb 0.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3k6c h LEU 27 CO -0.14 1.16 0.42 0.03 -0.34 0.00 0.00 178.44 179.58 3k6c h ARG 28 N 0.43 0.92 -0.13 1.25 3.08 -0.38 -1.79 114.38 117.76 3k6c h ARG 28 Ca 0.02 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 3k6c h ARG 28 Cb 1.01 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 3k6c h ARG 28 CO 0.09 0.64 -0.67 0.93 -1.07 0.00 0.00 179.97 179.89 3k6c h GLU 29 N 0.94 0.53 -0.31 0.04 5.08 -0.83 -0.59 114.58 119.44 3k6c h GLU 29 Ca 0.25 -0.39 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 3k6c h GLU 29 Cb -0.05 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3k6c h GLU 29 CO -0.05 1.02 -0.51 1.49 -1.00 0.00 0.00 179.01 179.96 3k6c h GLU 30 N 0.38 0.88 -0.70 2.33 4.57 -1.05 -1.37 114.58 119.60 3k6c h GLU 30 Ca -0.02 -0.53 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 3k6c h GLU 30 Cb 1.25 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 3k6c h GLU 30 CO 0.12 1.17 0.37 -0.07 -1.18 0.00 0.00 179.01 179.42 3k6c h LEU 31 N 0.68 0.89 -0.71 1.64 3.38 -1.21 -0.91 115.31 119.07 3k6c h LEU 31 Ca 0.03 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3k6c h LEU 31 Cb 1.11 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 3k6c h LEU 31 CO 0.11 0.74 0.40 -0.08 0.09 0.00 0.00 178.44 179.71 3k6c h GLU 32 N 0.97 0.70 -0.36 1.13 4.81 -0.98 -1.60 114.58 119.24 3k6c h GLU 32 Ca 0.24 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3k6c h GLU 32 Cb 0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3k6c h GLU 32 CO -0.04 0.46 0.20 0.00 -0.73 0.00 0.00 179.01 178.91 3k6c h ALA 33 N 1.38 0.45 -0.08 2.92 0.00 -0.60 0.24 119.26 123.57 3k6c h ALA 33 Ca 0.33 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3k6c h ALA 33 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3k6c h ALA 33 CO -0.20 -0.15 -0.17 0.28 0.00 0.00 0.00 179.25 179.01 3k6c h VAL 34 N 0.42 0.56 -0.21 0.00 2.07 -0.74 -0.11 116.25 118.25 3k6c h VAL 34 Ca 0.14 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.68 3k6c h VAL 34 Cb 0.01 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3k6c h VAL 34 CO -0.07 0.00 0.07 -0.78 0.02 0.00 0.00 177.57 176.81 3k6c h ASP 35 N -0.24 0.07 -0.55 0.57 -0.00 -0.77 0.25 116.42 115.75 3k6c h ASP 35 Ca 0.08 0.02 -0.05 0.00 -0.00 0.00 0.00 57.03 57.08 3k6c h ASP 35 Cb 0.36 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.68 3k6c h ASP 35 CO -0.22 0.07 0.15 -0.07 -0.00 0.00 0.00 179.24 179.17 3k6c h LEU 36 N 0.16 0.82 -0.85 2.28 3.38 -0.33 -1.88 115.31 118.89 3k6c h LEU 36 Ca 0.09 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3k6c h LEU 36 Cb 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3k6c h LEU 36 CO -0.09 0.82 0.23 1.88 0.09 0.00 0.00 178.44 181.37 3k6c h TYR 37 N 0.77 1.12 -0.91 1.13 0.05 -0.82 -1.42 116.97 116.87 3k6c h TYR 37 Ca 0.17 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.88 3k6c h TYR 37 Cb 0.32 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 3k6c h TYR 37 CO 0.02 0.88 0.60 -0.97 -1.05 0.00 0.00 178.16 177.63 3k6c h ASN 38 N 1.05 1.01 -0.18 3.88 -1.24 0.20 -0.89 115.58 119.41 3k6c h ASN 38 Ca 0.23 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.10 3k6c h ASN 38 Cb 0.28 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3k6c h ASN 38 CO -0.01 0.71 -0.40 1.56 -1.29 0.00 0.00 177.43 178.00 3k6c h GLN 39 N 1.18 0.58 -0.40 6.67 4.20 -1.10 -2.58 115.11 123.66 3k6c h GLN 39 Ca 0.35 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3k6c h GLN 39 Cb -0.06 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3k6c h GLN 39 CO -0.10 1.01 0.10 0.00 -0.67 0.00 0.00 178.83 179.17 3k6c h ARG 40 N 0.24 0.60 0.74 1.46 3.08 -1.02 -1.43 114.38 118.04 3k6c h ARG 40 Ca 0.00 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 3k6c h ARG 40 Cb 1.01 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.96 3k6c h ARG 40 CO 0.09 0.55 -0.35 0.28 -1.07 0.00 0.00 179.97 179.46 3k6c h VAL 41 N 0.58 0.23 -0.99 2.04 2.07 -1.08 0.38 116.25 119.49 3k6c h VAL 41 Ca 0.14 -0.11 0.25 0.00 0.82 0.00 0.00 66.70 67.80 3k6c h VAL 41 Cb 0.22 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.12 3k6c h VAL 41 CO -0.00 0.01 0.56 -1.13 0.02 0.00 0.00 177.57 177.03 3k6c h ASN 42 N -1.07 0.60 0.36 0.57 -0.73 -1.27 -2.61 115.58 111.43 3k6c h ASN 42 Ca -0.10 0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3k6c h ASN 42 Cb 0.78 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.43 3k6c h ASN 42 CO 0.17 0.06 -1.34 0.00 -0.37 0.00 0.00 177.43 175.95 3k6c n ALA 43 N -2.34 3.16 -1.30 1.57 0.00 -0.56 -4.98 120.51 116.06 3k6c n ALA 43 Ca 0.27 -0.43 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3k6c n ALA 43 Cb 0.76 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.25 0.33 -1.95 0.00 4.76 -1.26 -5.00 118.16 112.79 3k6c n LYS 45 Ca 0.13 0.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.29 3k6c n LYS 45 Cb 0.50 -1.06 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 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 -6.32 6.63 0.44 4.39 -1.08 -1.26 -4.89 116.67 114.57 3k6c s ASP 46 Ca -0.21 2.40 0.22 0.00 -0.52 0.00 0.00 52.55 54.44 3k6c s ASP 46 Cb 0.07 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.95 3k6c s ASP 46 CO 0.27 -0.90 1.86 0.11 0.52 0.00 0.00 175.17 177.03 3k6c h LYS 47 N 8.85 0.00 -0.04 4.34 1.79 -1.99 -2.09 116.57 127.44 3k6c h LYS 47 Ca -0.42 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.98 3k6c h LYS 47 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 3k6c h LYS 47 CO 0.94 0.25 -0.27 0.93 -1.08 0.00 0.00 179.45 180.22 3k6c h GLU 48 N 0.00 0.24 -0.29 3.15 3.07 -2.00 -2.57 114.58 116.18 3k6c h GLU 48 Ca -0.00 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 58.68 3k6c h GLU 48 Cb 0.68 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 3k6c h GLU 48 CO 0.03 0.88 0.06 1.25 -1.40 0.00 0.00 179.01 179.84 3k6c h LEU 49 N -0.32 0.01 -0.56 1.33 5.85 -1.94 -2.53 115.31 117.15 3k6c h LEU 49 Ca -0.02 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3k6c h LEU 49 Cb 0.95 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.94 3k6c h LEU 49 CO 0.05 0.04 -0.07 0.50 -0.34 0.00 0.00 178.44 178.63 3k6c h LYS 50 N 0.17 0.05 -0.65 1.25 3.64 -1.36 0.56 116.57 120.24 3k6c h LYS 50 Ca 0.13 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3k6c h LYS 50 Cb 0.14 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3k6c h LYS 50 CO -0.18 0.04 0.33 0.00 -2.27 0.00 0.00 179.45 177.37 3k6c h ALA 51 N 1.53 1.36 0.02 5.00 0.00 -1.25 -2.16 119.26 123.76 3k6c h ALA 51 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k6c h ALA 51 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k6c h ALA 51 CO -0.52 0.51 -0.04 0.82 0.00 0.00 0.00 179.25 180.02 3k6c h ILE 52 N 0.91 0.90 -0.34 0.00 2.04 -0.54 -1.30 117.51 119.19 3k6c h ILE 52 Ca 0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.12 3k6c h ILE 52 Cb 0.07 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3k6c h ILE 52 CO -0.03 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.18 3k6c h LEU 53 N -0.08 0.16 -0.73 1.44 3.38 -0.72 0.20 115.31 118.95 3k6c h LEU 53 Ca 0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3k6c h LEU 53 Cb 0.09 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3k6c h LEU 53 CO -0.02 0.13 -0.21 0.00 0.09 0.00 0.00 178.44 178.42 3k6c h ALA 54 N 1.21 0.91 0.32 1.53 0.00 -1.43 0.15 119.26 121.94 3k6c h ALA 54 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k6c h ALA 54 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k6c h ALA 54 CO -0.14 0.62 -0.38 1.25 0.00 0.00 0.00 179.25 180.60 3k6c h HIS 55 N 0.65 -1.02 0.15 0.00 -0.00 -0.72 -0.85 115.15 113.36 3k6c h HIS 55 Ca 0.09 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3k6c h HIS 55 Cb 0.71 0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 3k6c h HIS 55 CO 0.04 -0.51 -0.19 -0.91 -0.00 0.00 0.00 177.93 176.35 3k6c h ASN 56 N -0.74 -0.52 -0.88 3.26 2.35 -0.73 -1.83 115.58 116.49 3k6c h ASN 56 Ca -0.02 0.06 0.14 0.00 -0.55 0.00 0.00 56.30 55.93 3k6c h ASN 56 Cb 0.68 0.19 -0.15 0.00 0.05 0.00 0.00 38.32 39.09 3k6c h ASN 56 CO -0.10 -0.28 -0.36 -0.09 -1.65 0.00 0.00 177.43 174.95 3k6c h ARG 57 N -0.39 -0.04 -0.10 0.81 2.43 -0.73 0.51 114.38 116.86 3k6c h ARG 57 Ca 0.01 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3k6c h ARG 57 Cb 0.39 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3k6c h ARG 57 CO -0.07 -0.03 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.38 3k6c h ASP 58 N -0.04 0.33 -0.49 -3.80 3.32 -0.90 -2.78 116.42 112.05 3k6c h ASP 58 Ca 0.32 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3k6c h ASP 58 Cb 0.59 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3k6c h ASP 58 CO -0.90 0.80 0.13 -0.33 -1.72 0.00 0.00 179.24 177.22 3k6c h GLU 59 N 0.23 0.83 -0.85 3.56 5.08 -0.67 -2.83 114.58 119.93 3k6c h GLU 59 Ca 0.00 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3k6c h GLU 59 Cb 1.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 3k6c h GLU 59 CO 0.09 0.75 0.52 0.93 -1.00 0.00 0.00 179.01 180.30 3k6c h GLU 60 N 0.80 1.15 -1.02 2.33 4.39 -0.68 -1.35 114.58 120.19 3k6c h GLU 60 Ca 0.18 -0.10 0.25 0.00 0.34 0.00 0.00 59.36 60.03 3k6c h GLU 60 Cb 0.30 -0.24 -0.11 0.00 -0.10 0.00 0.00 28.75 28.59 3k6c h GLU 60 CO -0.00 0.80 0.63 0.87 -1.16 0.00 0.00 179.01 180.14 3k6c h LYS 61 N 1.17 0.50 -0.03 2.33 1.57 -1.24 0.10 116.57 120.97 3k6c h LYS 61 Ca 0.31 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3k6c h LYS 61 Cb -0.06 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3k6c h LYS 61 CO -0.06 0.33 -0.02 1.49 -0.57 0.00 0.00 179.45 180.62 3k6c h GLU 62 N 0.52 0.07 -0.68 3.15 4.81 -1.24 -1.42 114.58 119.79 3k6c h GLU 62 Ca 0.63 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.97 3k6c h GLU 62 Cb 1.33 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.59 3k6c h GLU 62 CO -0.40 0.50 -0.07 0.45 -0.73 0.00 0.00 179.01 178.76 3k6c h HIS 63 N -0.36 -0.17 0.35 0.92 3.86 -0.89 -2.08 115.15 116.78 3k6c h HIS 63 Ca 0.01 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3k6c h HIS 63 Cb 0.48 0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3k6c h HIS 63 CO 0.08 -0.24 -0.17 0.00 0.86 0.00 0.00 177.93 178.46 3k6c h ALA 64 N 1.65 -0.47 0.00 2.45 0.00 -0.99 -2.09 119.26 119.81 3k6c h ALA 64 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3k6c h ALA 64 Cb 0.58 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3k6c h ALA 64 CO -0.64 -0.76 0.00 0.00 0.00 0.00 0.00 179.25 177.86 3k6c n ALA 65 N -2.31 0.54 0.00 0.00 0.00 -0.54 -1.78 120.51 116.42 3k6c n ALA 65 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3k6c n ALA 65 Cb 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 0.40 0.00 0.12 0.00 4.77 -0.79 -0.73 117.00 120.77 3k6c n LEU 67 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3k6c n LEU 67 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 3k6c n LEU 67 CO 0.00 0.00 0.53 0.25 -1.33 0.00 0.00 177.39 176.84 3k6c h LEU 68 N 0.00 0.13 -0.98 2.23 5.85 -1.62 -0.53 115.31 120.39 3k6c h LEU 68 Ca 0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3k6c h LEU 68 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3k6c h LEU 68 CO 0.00 0.67 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.58 3k6c h GLU 69 N 0.09 0.62 -0.44 1.25 4.57 -1.17 -0.97 114.58 118.53 3k6c h GLU 69 Ca -0.00 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 3k6c h GLU 69 Cb 1.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 3k6c h GLU 69 CO 0.08 0.71 0.11 2.35 -1.18 0.00 0.00 179.01 181.09 3k6c h TRP 70 N 0.57 0.74 -0.73 0.92 7.01 -1.55 -2.66 115.95 120.26 3k6c h TRP 70 Ca 0.10 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3k6c h TRP 70 Cb 0.52 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 3k6c h TRP 70 CO 0.02 0.69 0.29 0.82 -2.79 0.00 0.00 178.44 177.47 3k6c h ILE 71 N 0.59 1.25 -0.45 2.65 2.04 -0.92 -2.80 117.51 119.88 3k6c h ILE 71 Ca 0.14 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.23 3k6c h ILE 71 Cb 0.32 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3k6c h ILE 71 CO 0.00 0.32 0.29 -0.09 0.00 0.00 0.00 178.15 178.67 3k6c h ARG 72 N 1.06 0.57 0.00 2.37 2.43 -1.04 -1.79 114.38 117.97 3k6c h ARG 72 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3k6c h ARG 72 Cb 0.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3k6c h ARG 72 CO -0.02 0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.81 3k6c h ARG 73 N 0.58 0.00 0.00 0.20 3.08 -1.19 -2.81 114.38 114.25 3k6c h ARG 73 Ca 0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3k6c h ARG 73 Cb -0.05 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.93 3k6c h ARG 73 CO -0.05 0.00 -0.44 0.00 -1.07 0.00 0.00 179.97 178.41 3k6c s ASP 75 N -2.52 3.18 0.44 0.00 -1.08 -0.71 -5.00 116.67 110.99 3k6c s ASP 75 Ca 0.29 -2.35 0.10 0.00 -0.52 0.00 0.00 52.55 50.07 3k6c s ASP 75 Cb 0.28 -0.62 0.98 0.00 -1.46 0.00 0.00 42.92 42.11 3k6c s ASP 75 CO -0.04 -0.29 2.07 -0.65 0.52 0.00 0.00 175.17 176.77 3k6c h PRO 76 N 6.90 0.32 0.00 4.34 0.11 -1.88 0.75 132.00 142.54 3k6c h PRO 76 Ca 0.04 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3k6c h PRO 76 Cb 0.95 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3k6c h PRO 76 CO 0.34 0.25 -0.30 0.00 -0.21 0.00 0.00 178.00 178.08 3k6c h ALA 77 N 1.81 1.10 0.18 -0.75 0.00 -1.94 -3.10 119.26 116.56 3k6c h ALA 77 Ca 0.09 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 3k6c h ALA 77 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k6c h ALA 77 CO -0.01 0.38 -1.42 0.35 0.00 0.00 0.00 179.25 178.54 3k6c h PHE 78 N 0.00 0.71 0.00 0.00 3.57 -0.09 -3.24 116.94 117.89 3k6c h PHE 78 Ca -0.00 -0.52 -0.40 0.00 3.53 0.00 0.00 57.97 60.58 3k6c h PHE 78 Cb 0.74 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.47 3k6c h PHE 78 CO 0.00 1.55 2.64 -3.47 -2.23 0.00 0.00 178.31 176.80 3k6c n ASP 79 N -3.81 4.92 0.20 0.41 2.03 0.13 -2.25 116.55 118.18 3k6c n ASP 79 Ca -0.20 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 52.75 3k6c n ASP 79 Cb 1.00 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 3k6c n ASP 79 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3k6c n LYS 80 N 4.35 0.00 -0.01 -0.67 0.00 -1.23 -4.72 118.16 115.88 3k6c n LYS 80 Ca 0.46 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.83 3k6c n LYS 80 Cb 0.15 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.63 3k6c n LYS 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3k6c h GLU 81 N 0.00 0.49 -0.03 1.64 4.39 -1.55 0.24 114.58 119.75 3k6c h GLU 81 Ca 0.00 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.43 3k6c h GLU 81 Cb 0.00 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3k6c h GLU 81 CO 0.00 0.32 -0.94 -0.07 -1.16 0.00 0.00 179.01 177.16 3k6c h LEU 82 N 0.51 0.77 -0.30 1.33 3.38 -1.76 0.10 115.31 119.34 3k6c h LEU 82 Ca 0.18 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3k6c h LEU 82 Cb 0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3k6c h LEU 82 CO -0.04 1.39 0.19 0.11 0.09 0.00 0.00 178.44 180.17 3k6c h LYS 83 N 0.36 0.41 -0.03 1.13 1.57 -1.74 -2.68 116.57 115.59 3k6c h LYS 83 Ca -0.09 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3k6c h LYS 83 Cb 1.58 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.76 3k6c h LYS 83 CO 0.18 0.29 -0.38 0.22 -0.57 0.00 0.00 179.45 179.19 3k6c h ASP 84 N 0.40 -1.19 0.37 0.86 1.82 -0.42 -3.36 116.42 114.90 3k6c h ASP 84 Ca 0.11 0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.81 3k6c h ASP 84 Cb -0.02 0.46 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 3k6c h ASP 84 CO -0.02 -0.36 -1.70 -1.22 -1.61 0.00 0.00 179.24 174.32 3k6c n TYR 85 N -4.59 0.42 -3.20 0.28 4.02 0.35 -4.94 117.16 109.49 3k6c n TYR 85 Ca -0.05 0.13 -0.38 0.00 -0.01 0.00 0.00 57.90 57.59 3k6c n TYR 85 Cb 0.28 -0.79 -0.06 0.00 -0.02 0.00 0.00 39.34 38.75 3k6c n TYR 85 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3k6c s LEU 86 N -5.09 4.52 -1.26 7.72 0.20 -1.01 -3.81 118.68 119.95 3k6c s LEU 86 Ca -0.06 1.35 -0.02 0.00 0.69 0.00 0.00 54.13 56.10 3k6c s LEU 86 Cb 0.11 -3.07 0.01 0.00 -0.43 0.00 0.00 46.19 42.80 3k6c s LEU 86 CO 0.85 0.23 0.97 0.49 -0.29 0.00 0.00 176.35 178.60 3k6c n PHE 87 N 1.54 -2.25 -4.63 5.38 3.72 -1.26 -4.92 117.46 115.05 3k6c n PHE 87 Ca -0.08 0.93 -0.28 0.00 -0.05 0.00 0.00 57.45 57.97 3k6c n PHE 87 Cb 0.50 -4.91 -0.09 0.00 -0.94 0.00 0.00 39.48 34.04 3k6c n PHE 87 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3k6c s THR 88 N -3.41 1.30 0.00 4.37 -4.23 -1.25 -5.08 115.64 107.34 3k6c s THR 88 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3k6c s THR 88 Cb -0.05 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3k6c s THR 88 CO 0.75 0.00 0.42 -0.46 -0.54 0.00 0.00 174.62 174.79 3k6c n ASN 89 N -1.09 0.70 -4.76 3.99 0.23 -1.26 -5.08 115.26 107.99 3k6c n ASN 89 Ca -0.10 -1.16 -0.36 0.00 -0.53 0.00 0.00 54.58 52.42 3k6c n ASN 89 Cb 0.67 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.39 3k6c n ASN 89 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3k6c s LYS 90 N -0.16 3.22 -0.13 -3.83 1.02 -1.26 -4.96 119.74 113.63 3k6c s LYS 90 Ca 0.00 1.84 -0.33 0.00 0.02 0.00 0.00 55.97 57.49 3k6c s LYS 90 Cb 0.00 -2.08 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 3k6c s LYS 90 CO 0.00 -1.01 1.97 -2.30 -0.92 0.00 0.00 175.35 173.08 3k6c n PRO 91 N -1.24 2.04 -0.02 -1.68 -0.02 -1.26 -4.90 135.00 127.93 3k6c n PRO 91 Ca 0.12 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3k6c n PRO 91 Cb 0.49 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 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 5.88 0.96 0.00 4.25 5.03 -2.00 -3.44 117.51 128.19 3k6c h ILE 92 Ca -0.45 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 3k6c h ILE 92 Cb 1.27 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.91 3k6c h ILE 92 CO 0.96 0.02 0.00 0.00 -0.68 0.00 0.00 178.15 178.45 3k6c n ALA 93 N -2.20 0.00 -1.52 1.87 0.00 -1.26 -5.17 120.51 112.24 3k6c n ALA 93 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k6c n ALA 93 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3k6c n ALA 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08