#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 2.15 3.56 6.12 0.00 -1.26 -5.00 105.19 110.77 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 -3.24 2.65 -0.27 1.61 2.02 -1.26 -4.86 117.35 114.01 3k6c s TYR 6 Ca 0.00 0.30 0.23 0.00 -0.37 0.00 0.00 57.07 57.23 3k6c s TYR 6 Cb 0.00 -4.40 0.02 0.00 -0.40 0.00 0.00 41.96 37.18 3k6c s TYR 6 CO 0.00 -1.53 1.06 0.74 -1.57 0.00 0.00 175.55 174.25 3k6c h PHE 7 N 9.49 0.00 -3.56 2.71 -1.00 -2.06 -3.46 116.94 119.06 3k6c h PHE 7 Ca -0.25 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 59.86 3k6c h PHE 7 Cb 1.06 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.46 3k6c h PHE 7 CO 1.00 0.00 -0.74 -1.21 -1.61 0.00 0.00 178.31 175.75 3k6c s GLU 8 N -3.35 2.09 0.38 1.51 0.41 -1.26 -5.09 118.70 113.39 3k6c s GLU 8 Ca 0.00 -1.05 -0.28 0.00 -0.41 0.00 0.00 54.97 53.24 3k6c s GLU 8 Cb 0.10 -2.28 -0.11 0.00 -1.78 0.00 0.00 34.13 30.06 3k6c s GLU 8 CO 0.79 0.50 1.48 -2.14 -0.49 0.00 0.00 175.26 175.40 3k6c s PRO 9 N -2.22 4.07 0.30 0.39 0.02 -1.26 -4.85 135.00 131.44 3k6c s PRO 9 Ca 0.21 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 63.79 3k6c s PRO 9 Cb -0.11 -2.94 0.49 0.00 0.02 0.00 0.00 34.50 31.97 3k6c s PRO 9 CO 0.13 -0.56 1.93 1.79 -0.33 0.00 0.00 177.00 179.96 3k6c h THR 10 N 2.91 1.12 0.00 0.99 1.35 -1.95 -1.83 112.91 115.50 3k6c h THR 10 Ca -0.51 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 3k6c h THR 10 Cb 1.24 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3k6c h THR 10 CO 0.64 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 176.10 3k6c n GLN 11 N -4.46 0.01 -0.16 4.72 6.02 -1.26 -0.96 117.38 121.30 3k6c n GLN 11 Ca 0.12 0.37 0.11 0.00 -0.01 0.00 0.00 57.00 57.60 3k6c n GLN 11 Cb 0.13 -1.52 0.19 0.00 1.02 0.00 0.00 30.24 30.06 3k6c n GLN 11 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3k6c n GLU 12 N -1.54 2.42 -5.15 -1.09 1.02 -0.69 -4.95 120.64 110.66 3k6c n GLU 12 Ca 0.02 -2.20 -0.30 0.00 -0.02 0.00 0.00 57.16 54.66 3k6c n GLU 12 Cb 0.09 -1.49 -0.16 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 -1.52 2.08 0.86 -4.62 1.43 -0.13 -5.02 118.68 111.76 3k6c s LEU 13 Ca 0.36 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 3k6c s LEU 13 Cb 0.22 -1.29 0.10 0.00 0.03 0.00 0.00 46.19 45.25 3k6c s LEU 13 CO 0.30 0.29 1.09 -0.94 0.23 0.00 0.00 176.35 177.33 3k6c s SER 14 N -0.78 3.82 0.26 2.29 1.04 -1.26 -4.80 113.70 114.26 3k6c s SER 14 Ca 0.10 1.58 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 3k6c s SER 14 Cb -0.10 -2.27 0.56 0.00 0.10 0.00 0.00 66.02 64.32 3k6c s SER 14 CO -0.00 -2.43 1.70 0.44 0.98 0.00 0.00 173.24 173.92 3k6c h ASP 15 N -1.41 0.19 -0.07 7.02 3.32 -1.98 -0.02 116.42 123.47 3k6c h ASP 15 Ca -0.48 0.14 -0.20 0.00 0.02 0.00 0.00 57.03 56.51 3k6c h ASP 15 Cb 1.27 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.97 3k6c h ASP 15 CO 0.54 0.01 -0.70 -0.08 -1.72 0.00 0.00 179.24 177.28 3k6c h GLU 16 N 0.36 0.71 -0.37 3.56 4.81 -1.99 0.46 114.58 122.11 3k6c h GLU 16 Ca 0.47 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3k6c h GLU 16 Cb 0.83 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 3k6c h GLU 16 CO -0.50 1.16 0.22 1.15 -0.73 0.00 0.00 179.01 180.31 3k6c h THR 17 N 0.50 1.13 -0.70 0.32 2.02 -1.91 -3.22 112.91 111.05 3k6c h THR 17 Ca -0.03 -0.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3k6c h THR 17 Cb 1.31 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3k6c h THR 17 CO 0.14 0.13 0.29 0.03 0.37 0.00 0.00 175.52 176.48 3k6c h ARG 18 N 0.48 1.03 -1.66 6.66 3.08 -0.76 -0.30 114.38 122.93 3k6c h ARG 18 Ca 0.13 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3k6c h ARG 18 Cb 0.02 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3k6c h ARG 18 CO -0.02 0.84 0.00 -0.25 -1.07 0.00 0.00 179.97 179.47 3k6c n ASP 19 N -4.39 0.35 0.00 7.04 8.00 0.13 -1.12 116.55 126.56 3k6c n ASP 19 Ca 0.05 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.30 3k6c n ASP 19 Cb 0.16 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.87 0.00 -0.32 1.24 -0.00 -0.12 -1.71 115.22 115.18 3k6c n HIS 21 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 3k6c n HIS 21 Cb 0.06 0.00 0.31 0.00 -0.00 0.00 0.00 29.99 30.36 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 0.82 0.23 1.57 3.08 -1.40 -1.62 114.38 117.07 3k6c h ARG 22 Ca 0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3k6c h ARG 22 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3k6c h ARG 22 CO 0.00 0.54 -0.11 0.00 -1.07 0.00 0.00 179.97 179.34 3k6c h ALA 23 N 1.57 -0.30 -0.15 0.04 0.00 -1.61 -2.25 119.26 116.56 3k6c h ALA 23 Ca 0.48 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3k6c h ALA 23 Cb 0.61 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3k6c h ALA 23 CO -0.24 -0.38 -0.25 0.82 0.00 0.00 0.00 179.25 179.20 3k6c h ILE 24 N -0.88 0.40 -0.55 0.00 1.08 -1.79 -0.63 117.51 115.14 3k6c h ILE 24 Ca -0.03 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.33 3k6c h ILE 24 Cb 0.51 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3k6c h ILE 24 CO 0.05 0.00 -0.07 -0.29 -0.69 0.00 0.00 178.15 177.15 3k6c h ILE 25 N -0.30 1.27 -0.92 -0.67 2.10 -1.41 0.17 117.51 117.74 3k6c h ILE 25 Ca 0.11 -1.21 0.03 0.00 1.08 0.00 0.00 64.86 64.86 3k6c h ILE 25 Cb 0.46 0.92 -0.05 0.00 -1.09 0.00 0.00 36.82 37.06 3k6c h ILE 25 CO -0.33 0.43 0.61 0.28 -1.08 0.00 0.00 178.15 178.06 3k6c h SER 26 N 0.90 1.02 -0.34 2.19 0.02 -1.25 0.78 113.55 116.88 3k6c h SER 26 Ca 0.15 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3k6c h SER 26 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3k6c h SER 26 CO 0.04 0.71 -0.15 0.25 -1.14 0.00 0.00 176.83 176.54 3k6c h LEU 27 N 1.19 0.72 -0.62 5.07 5.85 0.21 -1.49 115.31 126.24 3k6c h LEU 27 Ca 0.36 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.69 3k6c h LEU 27 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3k6c h LEU 27 CO -0.10 0.96 0.40 0.03 -0.34 0.00 0.00 178.44 179.39 3k6c h ARG 28 N 0.47 0.78 -0.40 1.25 3.08 -0.15 -0.69 114.38 118.73 3k6c h ARG 28 Ca 0.08 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3k6c h ARG 28 Cb 0.68 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 3k6c h ARG 28 CO 0.05 0.52 -0.19 0.93 -1.07 0.00 0.00 179.97 180.21 3k6c h GLU 29 N 0.81 0.77 -0.24 0.04 5.08 -0.75 -1.11 114.58 119.17 3k6c h GLU 29 Ca 0.24 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3k6c h GLU 29 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3k6c h GLU 29 CO -0.07 0.90 0.10 0.93 -1.00 0.00 0.00 179.01 179.87 3k6c h GLU 30 N 0.68 0.35 -0.52 2.33 4.39 -0.73 -1.47 114.58 119.61 3k6c h GLU 30 Ca 0.10 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3k6c h GLU 30 Cb 0.69 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 3k6c h GLU 30 CO 0.05 0.38 0.25 -0.07 -1.16 0.00 0.00 179.01 178.45 3k6c h LEU 31 N 0.24 0.66 -0.31 1.33 3.38 -1.04 -1.56 115.31 118.01 3k6c h LEU 31 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3k6c h LEU 31 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3k6c h LEU 31 CO -0.01 0.57 0.09 -0.08 0.09 0.00 0.00 178.44 179.10 3k6c h GLU 32 N 0.73 0.48 -0.67 1.13 4.81 -0.98 -1.20 114.58 118.89 3k6c h GLU 32 Ca 0.18 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 3k6c h GLU 32 Cb 0.09 -0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.31 3k6c h GLU 32 CO -0.02 0.54 0.23 0.00 -0.73 0.00 0.00 179.01 179.02 3k6c h ALA 33 N 0.92 0.88 0.02 2.92 0.00 -0.78 0.16 119.26 123.38 3k6c h ALA 33 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k6c h ALA 33 Cb 0.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k6c h ALA 33 CO -0.00 -0.23 -0.01 0.28 0.00 0.00 0.00 179.25 179.29 3k6c h VAL 34 N 0.39 1.00 -0.26 0.00 2.07 -0.91 -0.18 116.25 118.35 3k6c h VAL 34 Ca 0.35 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.84 3k6c h VAL 34 Cb 0.50 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3k6c h VAL 34 CO -0.37 0.02 0.04 -0.78 0.02 0.00 0.00 177.57 176.50 3k6c h ASP 35 N -0.06 -0.01 0.06 0.57 3.58 -0.80 0.40 116.42 120.16 3k6c h ASP 35 Ca -0.00 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 3k6c h ASP 35 Cb 0.05 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3k6c h ASP 35 CO 0.01 0.03 -0.55 -0.07 -2.88 0.00 0.00 179.24 175.77 3k6c h LEU 36 N 0.14 0.58 -0.31 2.28 4.07 -0.55 -1.01 115.31 120.50 3k6c h LEU 36 Ca 0.12 -0.31 -0.06 0.00 0.08 0.00 0.00 57.88 57.72 3k6c h LEU 36 Cb 0.13 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3k6c h LEU 36 CO -0.17 1.01 -0.02 1.88 -1.08 0.00 0.00 178.44 180.06 3k6c h TYR 37 N 0.40 0.63 -0.80 1.13 0.05 -0.87 -0.62 116.97 116.89 3k6c h TYR 37 Ca 0.01 -0.12 0.07 0.00 0.05 0.00 0.00 58.73 58.74 3k6c h TYR 37 Cb 1.09 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 38.60 3k6c h TYR 37 CO 0.04 0.72 0.47 -0.97 -1.05 0.00 0.00 178.16 177.37 3k6c h ASN 38 N 0.36 0.70 -0.24 3.88 -1.24 -0.70 0.65 115.58 118.99 3k6c h ASN 38 Ca 0.09 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 3k6c h ASN 38 Cb 0.48 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 3k6c h ASN 38 CO 0.02 0.43 -0.02 1.56 -1.29 0.00 0.00 177.43 178.13 3k6c h GLN 39 N 0.83 0.45 -0.17 6.67 4.20 -0.81 -2.01 115.11 124.26 3k6c h GLN 39 Ca 0.36 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3k6c h GLN 39 Cb 0.25 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3k6c h GLN 39 CO -0.20 0.65 -0.04 0.00 -0.67 0.00 0.00 178.83 178.56 3k6c h ARG 40 N 0.21 0.26 -0.15 1.46 3.08 -0.77 -1.04 114.38 117.42 3k6c h ARG 40 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 3k6c h ARG 40 Cb 0.46 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3k6c h ARG 40 CO 0.02 0.32 -0.05 0.28 -1.07 0.00 0.00 179.97 179.46 3k6c h VAL 41 N 0.25 1.30 -0.86 2.04 2.07 -0.54 0.41 116.25 120.93 3k6c h VAL 41 Ca 0.06 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.54 3k6c h VAL 41 Cb 0.24 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 3k6c h VAL 41 CO 0.01 0.31 0.57 -1.13 0.02 0.00 0.00 177.57 177.35 3k6c h ASN 42 N -0.00 0.98 0.30 0.57 -0.73 -1.07 -2.81 115.58 112.82 3k6c h ASN 42 Ca 0.04 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.18 3k6c h ASN 42 Cb 0.50 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.85 3k6c h ASN 42 CO 0.02 0.71 -0.46 0.00 -0.37 0.00 0.00 177.43 177.33 3k6c n ALA 43 N -2.40 3.50 -1.75 1.57 0.00 -0.42 -4.98 120.51 116.02 3k6c n ALA 43 Ca 0.10 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3k6c n ALA 43 Cb 0.03 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.44 0.18 -1.68 0.00 4.76 -1.26 -4.98 118.16 113.72 3k6c n LYS 45 Ca 0.09 0.08 -0.44 0.00 -2.87 0.00 0.00 58.31 55.16 3k6c n LYS 45 Cb 0.53 -0.80 -0.04 0.00 -1.84 0.00 0.00 35.03 32.89 3k6c n LYS 45 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3k6c n ASP 46 N -3.48 3.79 0.06 4.39 -0.08 -1.26 -4.90 116.55 115.08 3k6c n ASP 46 Ca -0.14 0.99 -0.05 0.00 -1.51 0.00 0.00 54.79 54.09 3k6c n ASP 46 Cb 0.51 -1.49 0.16 0.00 2.34 0.00 0.00 41.12 42.63 3k6c n ASP 46 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 3k6c h LYS 47 N 8.41 0.33 0.06 -0.67 1.63 -1.98 -1.15 116.57 123.20 3k6c h LYS 47 Ca -0.47 -0.18 -0.00 0.00 -0.85 0.00 0.00 60.65 59.15 3k6c h LYS 47 Cb 1.24 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3k6c h LYS 47 CO 0.94 0.74 -0.03 0.93 -3.45 0.00 0.00 179.45 178.58 3k6c h GLU 48 N 0.27 -0.08 -0.57 1.90 3.07 -1.99 -2.05 114.58 115.12 3k6c h GLU 48 Ca 0.02 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 58.99 3k6c h GLU 48 Cb 0.94 0.02 -0.11 0.00 -0.84 0.00 0.00 28.75 28.75 3k6c h GLU 48 CO 0.08 0.50 -0.22 1.25 -1.40 0.00 0.00 179.01 179.22 3k6c h LEU 49 N -0.80 -0.78 -0.57 1.33 5.85 -1.97 -1.12 115.31 117.26 3k6c h LEU 49 Ca -0.01 0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.00 3k6c h LEU 49 Cb 0.62 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 3k6c h LEU 49 CO 0.01 -0.25 0.16 0.50 -0.34 0.00 0.00 178.44 178.53 3k6c h LYS 50 N -0.08 0.30 -0.95 1.25 3.64 -1.15 0.32 116.57 119.90 3k6c h LYS 50 Ca 0.26 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3k6c h LYS 50 Cb 0.49 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 3k6c h LYS 50 CO -0.63 0.20 0.63 0.00 -2.27 0.00 0.00 179.45 177.38 3k6c h ALA 51 N 1.43 1.34 0.21 5.00 0.00 -0.52 -2.14 119.26 124.59 3k6c h ALA 51 Ca 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3k6c h ALA 51 Cb 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k6c h ALA 51 CO -0.34 0.60 -0.10 0.82 0.00 0.00 0.00 179.25 180.22 3k6c h ILE 52 N 1.26 0.79 -0.78 0.00 2.04 0.16 -1.35 117.51 119.63 3k6c h ILE 52 Ca 0.36 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 3k6c h ILE 52 Cb -0.10 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3k6c h ILE 52 CO -0.09 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.49 3k6c h LEU 53 N -0.29 0.82 -0.51 1.44 3.38 -0.75 0.49 115.31 119.89 3k6c h LEU 53 Ca -0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3k6c h LEU 53 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3k6c h LEU 53 CO 0.05 0.57 0.00 0.00 0.09 0.00 0.00 178.44 179.14 3k6c h ALA 54 N 1.33 0.69 -0.22 1.53 0.00 -1.44 -0.14 119.26 121.01 3k6c h ALA 54 Ca 0.31 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.98 3k6c h ALA 54 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3k6c h ALA 54 CO -0.11 0.50 -0.04 1.25 0.00 0.00 0.00 179.25 180.85 3k6c h HIS 55 N 0.77 -0.09 -0.08 0.00 -0.00 -0.65 -1.68 115.15 113.42 3k6c h HIS 55 Ca 0.15 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 3k6c h HIS 55 Cb 0.52 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.00 3k6c h HIS 55 CO 0.04 -0.08 0.02 -0.91 -0.00 0.00 0.00 177.93 177.00 3k6c h ASN 56 N 0.02 0.12 -0.84 3.26 2.35 -0.79 -2.18 115.58 117.52 3k6c h ASN 56 Ca 0.11 -0.24 0.21 0.00 -0.55 0.00 0.00 56.30 55.83 3k6c h ASN 56 Cb 0.16 -0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.36 3k6c h ASN 56 CO -0.22 0.33 0.25 -0.09 -1.65 0.00 0.00 177.43 176.06 3k6c h ARG 57 N -0.09 0.26 0.00 0.81 2.43 -1.02 0.11 114.38 116.89 3k6c h ARG 57 Ca 0.03 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3k6c h ARG 57 Cb 0.26 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3k6c h ARG 57 CO 0.00 0.17 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.56 3k6c h ASP 58 N 0.27 0.00 -0.08 -3.80 3.32 -1.15 -2.73 116.42 112.24 3k6c h ASP 58 Ca 0.51 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.44 3k6c h ASP 58 Cb 0.98 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3k6c h ASP 58 CO -0.59 0.63 -0.34 -0.33 -1.72 0.00 0.00 179.24 176.90 3k6c h GLU 59 N 0.00 0.57 -0.18 3.56 5.08 -0.55 -3.15 114.58 119.92 3k6c h GLU 59 Ca -0.01 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3k6c h GLU 59 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3k6c h GLU 59 CO 0.08 0.83 -0.30 0.93 -1.00 0.00 0.00 179.01 179.55 3k6c h GLU 60 N 0.49 0.36 -1.03 2.33 4.39 -0.81 -0.50 114.58 119.80 3k6c h GLU 60 Ca 0.05 -0.14 0.26 0.00 0.34 0.00 0.00 59.36 59.87 3k6c h GLU 60 Cb 0.82 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.34 3k6c h GLU 60 CO 0.07 0.63 0.65 0.87 -1.16 0.00 0.00 179.01 180.07 3k6c h LYS 61 N 0.31 0.45 -0.29 2.33 1.57 -1.45 -0.46 116.57 119.03 3k6c h LYS 61 Ca 0.04 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3k6c h LYS 61 Cb 0.70 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 3k6c h LYS 61 CO 0.05 0.30 -0.38 1.49 -0.57 0.00 0.00 179.45 180.33 3k6c h GLU 62 N 0.46 0.78 -0.46 3.15 4.81 -1.14 -1.96 114.58 120.22 3k6c h GLU 62 Ca 0.62 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3k6c h GLU 62 Cb 1.42 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 3k6c h GLU 62 CO -0.36 1.07 0.17 0.45 -0.73 0.00 0.00 179.01 179.61 3k6c h HIS 63 N 0.54 0.72 0.12 0.92 3.86 -0.83 -3.08 115.15 117.39 3k6c h HIS 63 Ca 0.04 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3k6c h HIS 63 Cb 0.97 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 3k6c h HIS 63 CO 0.07 0.62 -0.20 0.00 0.86 0.00 0.00 177.93 179.29 3k6c h ALA 64 N 1.02 -0.35 0.00 2.45 0.00 -1.14 -1.28 119.26 119.96 3k6c h ALA 64 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k6c h ALA 64 Cb 0.22 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k6c h ALA 64 CO -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.51 3k6c n ALA 65 N -2.49 0.63 0.00 0.00 0.00 -0.74 -0.82 120.51 117.10 3k6c n ALA 65 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3k6c n ALA 65 Cb 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.19 0.00 -0.17 0.00 4.77 -0.48 -1.79 117.00 119.52 3k6c n LEU 67 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3k6c n LEU 67 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3k6c n LEU 67 CO 0.00 0.00 1.02 0.25 -1.33 0.00 0.00 177.39 177.33 3k6c h LEU 68 N 0.00 0.37 -0.71 2.23 5.85 -1.24 -1.01 115.31 120.80 3k6c h LEU 68 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 3k6c h LEU 68 Cb 0.00 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3k6c h LEU 68 CO 0.00 0.25 0.13 -0.08 -0.34 0.00 0.00 178.44 178.41 3k6c h GLU 69 N 0.50 1.12 -0.52 1.25 4.57 -1.59 0.22 114.58 120.12 3k6c h GLU 69 Ca 0.22 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3k6c h GLU 69 Cb 0.13 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3k6c h GLU 69 CO -0.16 1.01 0.23 2.35 -1.18 0.00 0.00 179.01 181.26 3k6c h TRP 70 N 1.05 0.78 -0.22 0.92 7.01 -1.76 -1.07 115.95 122.66 3k6c h TRP 70 Ca 0.21 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.20 3k6c h TRP 70 Cb 0.41 -0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 3k6c h TRP 70 CO 0.03 0.62 -0.02 0.82 -2.79 0.00 0.00 178.44 177.11 3k6c h ILE 71 N 0.70 0.83 -0.74 2.65 2.04 -0.57 -2.63 117.51 119.79 3k6c h ILE 71 Ca 0.18 -0.02 0.11 0.00 1.00 0.00 0.00 64.86 66.13 3k6c h ILE 71 Cb 0.16 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 3k6c h ILE 71 CO -0.02 0.01 0.35 -0.09 0.00 0.00 0.00 178.15 178.40 3k6c h ARG 72 N 0.05 0.55 0.00 2.37 2.43 -0.09 -2.04 114.38 117.65 3k6c h ARG 72 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3k6c h ARG 72 Cb 0.14 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3k6c h ARG 72 CO -0.19 0.36 0.00 0.54 -1.51 0.00 0.00 179.97 179.17 3k6c n ARG 73 N -4.90 0.14 -0.65 0.20 1.74 -0.45 -2.43 116.66 110.32 3k6c n ARG 73 Ca 0.12 0.36 0.06 0.00 -0.77 0.00 0.00 57.85 57.62 3k6c n ARG 73 Cb 0.32 -1.75 0.13 0.00 -1.02 0.00 0.00 32.46 30.14 3k6c n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k6c s ASP 75 N -2.64 2.17 0.46 0.00 -1.08 -0.96 -5.00 116.67 109.63 3k6c s ASP 75 Ca 0.31 -2.50 0.14 0.00 -0.52 0.00 0.00 52.55 49.99 3k6c s ASP 75 Cb 0.31 -0.32 1.06 0.00 -1.46 0.00 0.00 42.92 42.51 3k6c s ASP 75 CO -0.06 -0.25 2.03 -0.65 0.52 0.00 0.00 175.17 176.77 3k6c h PRO 76 N 6.43 0.02 -0.59 4.34 0.11 -1.89 0.31 132.00 140.73 3k6c h PRO 76 Ca 0.14 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.16 3k6c h PRO 76 Cb 0.95 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3k6c h PRO 76 CO 0.30 0.14 -0.00 0.00 -0.21 0.00 0.00 178.00 178.23 3k6c h ALA 77 N 1.86 0.87 -0.52 -0.75 0.00 -1.94 -0.59 119.26 118.18 3k6c h ALA 77 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3k6c h ALA 77 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k6c h ALA 77 CO 0.02 0.66 -0.11 0.35 0.00 0.00 0.00 179.25 180.17 3k6c h PHE 78 N 0.95 1.11 -0.43 0.00 3.04 -1.69 -3.10 116.94 116.82 3k6c h PHE 78 Ca 0.17 -0.23 0.06 0.00 3.98 0.00 0.00 57.97 61.94 3k6c h PHE 78 Cb 0.55 -0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.74 3k6c h PHE 78 CO 0.04 1.04 0.14 0.22 -2.02 0.00 0.00 178.31 177.73 3k6c h ASP 79 N 0.86 0.13 -0.89 0.41 3.58 -0.65 -1.88 116.42 117.97 3k6c h ASP 79 Ca 0.13 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.72 3k6c h ASP 79 Cb 0.67 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 3k6c h ASP 79 CO 0.05 0.11 0.58 0.50 -2.88 0.00 0.00 179.24 177.59 3k6c h LYS 80 N 0.30 0.90 -0.04 0.28 3.64 -1.04 -1.61 116.57 119.00 3k6c h LYS 80 Ca 0.20 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3k6c h LYS 80 Cb 0.20 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3k6c h LYS 80 CO -0.22 0.60 -0.26 0.93 -2.27 0.00 0.00 179.45 178.23 3k6c h GLU 81 N 0.93 0.25 -0.94 1.90 4.39 -1.42 -2.07 114.58 117.61 3k6c h GLU 81 Ca 0.40 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3k6c h GLU 81 Cb 0.34 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 3k6c h GLU 81 CO -0.17 0.87 0.56 -0.07 -1.16 0.00 0.00 179.01 179.05 3k6c h LEU 82 N -0.31 1.14 -1.60 1.33 3.38 -1.20 -1.21 115.31 116.84 3k6c h LEU 82 Ca -0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3k6c h LEU 82 Cb 0.93 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3k6c h LEU 82 CO 0.05 0.88 -0.22 0.07 0.09 0.00 0.00 178.44 179.32 3k6c h LYS 83 N 1.30 0.00 -0.14 1.13 2.10 -1.31 0.19 116.57 119.84 3k6c h LYS 83 Ca 0.34 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.84 3k6c h LYS 83 Cb -0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 3k6c h LYS 83 CO -0.06 0.22 -0.54 -0.44 -2.00 0.00 0.00 179.45 176.62 3k6c h ASP 84 N 0.00 0.46 0.00 7.07 3.32 -0.51 -3.39 116.42 123.37 3k6c h ASP 84 Ca -0.00 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 3k6c h ASP 84 Cb 0.41 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3k6c h ASP 84 CO 0.03 0.92 -1.39 -1.22 -1.72 0.00 0.00 179.24 175.86 3k6c n TYR 85 N -3.94 0.00 -2.11 4.55 4.01 -0.71 -4.97 117.16 113.99 3k6c n TYR 85 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 3k6c n TYR 85 Cb 0.59 -0.28 -0.03 0.00 -0.31 0.00 0.00 39.34 39.31 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 -4.39 4.40 -0.71 7.72 2.96 0.66 -3.13 118.68 126.19 3k6c s LEU 86 Ca -0.03 2.52 -0.02 0.00 -0.22 0.00 0.00 54.13 56.38 3k6c s LEU 86 Cb 0.02 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3k6c s LEU 86 CO 0.24 -0.62 0.24 0.49 -1.32 0.00 0.00 176.35 175.37 3k6c n PHE 87 N 2.66 -0.82 -3.06 5.38 3.72 -1.26 -4.92 117.46 119.16 3k6c n PHE 87 Ca 0.07 0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.50 3k6c n PHE 87 Cb 0.41 -2.54 0.01 0.00 -0.94 0.00 0.00 39.48 36.43 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 -2.77 2.90 -0.25 4.37 -4.23 -1.18 -5.04 115.64 109.44 3k6c s THR 88 Ca 0.12 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 59.65 3k6c s THR 88 Cb -0.05 -2.93 -0.06 0.00 1.34 0.00 0.00 72.50 70.80 3k6c s THR 88 CO 0.15 0.00 0.22 -0.46 -0.54 0.00 0.00 174.62 173.99 3k6c n ASN 89 N -1.86 0.25 -4.92 3.99 6.94 -1.26 -5.09 115.26 113.32 3k6c n ASN 89 Ca 0.08 -0.63 -0.26 0.00 -0.02 0.00 0.00 54.58 53.75 3k6c n ASN 89 Cb 0.59 0.99 0.03 0.00 -2.36 0.00 0.00 39.78 39.04 3k6c n ASN 89 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3k6c s LYS 90 N -1.49 2.90 -0.02 -3.83 -2.85 -1.26 -4.96 119.74 108.23 3k6c s LYS 90 Ca 0.02 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.67 3k6c s LYS 90 Cb 0.04 -2.27 -0.07 0.00 -2.06 0.00 0.00 37.83 33.47 3k6c s LYS 90 CO 0.21 -0.71 1.78 -2.14 0.10 0.00 0.00 175.35 174.59 3k6c s PRO 91 N -4.99 4.15 0.09 1.78 0.02 -1.26 -4.87 135.00 129.93 3k6c s PRO 91 Ca 0.54 2.34 -0.33 0.00 0.02 0.00 0.00 61.00 63.57 3k6c s PRO 91 Cb -0.11 -4.06 -0.15 0.00 0.02 0.00 0.00 34.50 30.21 3k6c s PRO 91 CO 0.45 -0.90 1.59 0.82 -0.33 0.00 0.00 177.00 178.63 3k6c h ILE 92 N 5.62 0.17 0.00 2.83 2.04 -2.00 -3.40 117.51 122.76 3k6c h ILE 92 Ca -0.43 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3k6c h ILE 92 Cb 1.20 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3k6c h ILE 92 CO 0.95 0.00 -0.63 0.00 0.00 0.00 0.00 178.15 178.47 3k6c n ALA 93 N -2.72 2.49 -0.21 1.87 0.00 -1.26 -5.16 120.51 115.52 3k6c n ALA 93 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3k6c n ALA 93 Cb 0.41 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.12 3k6c n ALA 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08