#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb6 h TRP 3 N 0.00 0.95 -0.05 2.11 2.91 -1.97 -0.70 115.95 119.21 2kb6 h TRP 3 Ca 0.00 -0.41 -0.21 0.00 1.13 0.00 0.00 58.89 59.39 2kb6 h TRP 3 Cb 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 2kb6 h TRP 3 CO 0.00 1.23 -0.85 1.37 -1.03 0.00 0.00 178.44 179.16 2kb6 h LEU 4 N 0.49 0.57 -0.42 0.65 8.10 -2.01 -2.96 115.31 119.73 2kb6 h LEU 4 Ca -0.04 -0.42 -0.14 0.00 0.11 0.00 0.00 57.88 57.39 2kb6 h LEU 4 Cb 1.37 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 41.39 2kb6 h LEU 4 CO 0.15 1.20 -0.65 0.74 -4.11 0.00 0.00 178.44 175.76 2kb6 h THR 5 N 0.29 1.28 0.00 0.15 2.02 -2.00 -3.04 112.91 111.60 2kb6 h THR 5 Ca -0.06 -2.39 -0.03 0.00 0.77 0.00 0.00 66.41 64.70 2kb6 h THR 5 Cb 1.46 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 70.23 2kb6 h THR 5 CO 0.15 0.64 -0.14 0.15 0.37 0.00 0.00 175.52 176.69 2kb6 h PHE 6 N 0.00 0.00 -0.56 3.16 3.04 -0.95 0.16 116.94 121.78 2kb6 h PHE 6 Ca -0.01 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 2kb6 h PHE 6 Cb 1.31 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.80 2kb6 h PHE 6 CO 0.00 0.14 0.03 1.96 -2.02 0.00 0.00 178.31 178.42 2kb6 h GLN 7 N 0.00 0.94 0.00 1.11 4.20 -1.44 0.39 115.11 120.32 2kb6 h GLN 7 Ca -0.00 -0.26 -0.19 0.00 0.06 0.00 0.00 58.65 58.26 2kb6 h GLN 7 Cb 0.36 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2kb6 h GLN 7 CO 0.02 0.91 -0.87 -0.22 -0.67 0.00 0.00 178.83 178.00 2kb6 h LYS 8 N 0.87 0.04 0.00 1.46 3.11 -1.30 -2.34 116.57 118.41 2kb6 h LYS 8 Ca 0.17 -0.05 -0.05 0.00 -2.81 0.00 0.00 60.65 57.91 2kb6 h LYS 8 Cb 0.48 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 2kb6 h LYS 8 CO 0.02 0.88 -0.19 -0.22 -2.81 0.00 0.00 179.45 177.13 2kb6 h LYS 9 N 0.02 0.12 0.00 1.90 3.64 -0.19 -3.42 116.57 118.64 2kb6 h LYS 9 Ca -0.02 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2kb6 h LYS 9 Cb 1.53 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 2kb6 h LYS 9 CO 0.12 0.91 0.00 1.58 -2.27 0.00 0.00 179.45 179.79 2kb6 n HIS 10 N -4.55 0.00 -3.76 1.91 -0.00 0.13 -5.00 115.22 103.95 2kb6 n HIS 10 Ca -0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.26 2kb6 n HIS 10 Cb 0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.42 2kb6 n HIS 10 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2kb6 s ILE 11 N -0.12 5.34 -0.10 3.57 -1.09 -0.88 -2.73 121.20 125.19 2kb6 s ILE 11 Ca 0.00 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.78 2kb6 s ILE 11 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 2kb6 s ILE 11 CO 0.00 0.53 -0.23 0.28 -1.23 0.00 0.00 174.94 174.29 2kb6 s THR 12 N -1.13 2.00 -2.08 2.92 -1.32 -0.32 -4.49 115.64 111.22 2kb6 s THR 12 Ca 0.21 -0.98 0.26 0.00 -1.21 0.00 0.00 61.69 59.96 2kb6 s THR 12 Cb -0.13 -1.73 0.24 0.00 -1.51 0.00 0.00 72.50 69.37 2kb6 s THR 12 CO 0.10 0.55 1.45 -0.46 -2.21 0.00 0.00 174.62 174.05 2kb6 n ASN 13 N 3.55 1.55 -4.13 8.08 0.23 -1.26 -3.92 115.26 119.36 2kb6 n ASN 13 Ca -0.19 -1.26 -0.30 0.00 -0.53 0.00 0.00 54.58 52.29 2kb6 n ASN 13 Cb 0.53 0.18 -0.17 0.00 -2.08 0.00 0.00 39.78 38.25 2kb6 n ASN 13 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2kb6 s THR 14 N -2.36 1.78 0.18 5.53 -1.32 -1.26 -5.00 115.64 113.19 2kb6 s THR 14 Ca 0.26 -0.83 -0.01 0.00 -1.21 0.00 0.00 61.69 59.89 2kb6 s THR 14 Cb 0.19 -1.58 -0.10 0.00 -1.51 0.00 0.00 72.50 69.50 2kb6 s THR 14 CO 0.48 0.50 1.44 0.03 -2.21 0.00 0.00 174.62 174.85 2kb6 h ARG 15 N 7.14 0.40 -1.93 7.08 3.08 -2.00 -3.27 114.38 124.88 2kb6 h ARG 15 Ca -0.28 -0.33 -0.51 0.00 0.07 0.00 0.00 59.98 58.93 2kb6 h ARG 15 Cb 1.20 0.07 -0.18 0.00 0.08 0.00 0.00 29.97 31.13 2kb6 h ARG 15 CO 0.50 0.97 0.47 -0.25 -1.07 0.00 0.00 179.97 180.59 2kb6 n ASP 16 N -3.84 6.61 -4.65 7.04 8.00 -1.26 -4.94 116.55 123.51 2kb6 n ASP 16 Ca -0.04 -3.27 -0.43 0.00 0.71 0.00 0.00 54.79 51.76 2kb6 n ASP 16 Cb 0.70 -1.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 2kb6 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb6 s VAL 17 N -2.59 4.18 -1.05 2.53 0.11 -1.24 -4.92 120.40 117.42 2kb6 s VAL 17 Ca 0.56 1.38 -0.20 0.00 -2.93 0.00 0.00 61.98 60.79 2kb6 s VAL 17 Cb 0.38 -4.04 -0.08 0.00 -1.53 0.00 0.00 36.38 31.11 2kb6 s VAL 17 CO -0.22 -0.29 2.00 0.47 -3.33 0.00 0.00 175.10 173.74 2kb6 n ASP 18 N 7.15 3.12 -0.02 3.54 8.00 -1.26 -4.68 116.55 132.41 2kb6 n ASP 18 Ca 0.15 -2.74 0.07 0.00 0.71 0.00 0.00 54.79 52.97 2kb6 n ASP 18 Cb 0.46 -1.37 0.47 0.00 -0.02 0.00 0.00 41.12 40.65 2kb6 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kb6 h ASP 20 N 0.47 0.66 0.22 0.00 3.58 -1.92 -2.40 116.42 117.02 2kb6 h ASP 20 Ca 0.19 0.04 -0.35 0.00 0.42 0.00 0.00 57.03 57.33 2kb6 h ASP 20 Cb 0.17 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kb6 h ASP 20 CO -0.05 0.33 -1.85 0.78 -2.88 0.00 0.00 179.24 175.58 2kb6 h ASN 21 N 0.70 0.44 0.03 2.28 2.35 -1.31 -3.38 115.58 116.68 2kb6 h ASN 21 Ca 0.45 -0.82 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 2kb6 h ASN 21 Cb 0.71 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 2kb6 h ASN 21 CO -0.20 1.72 -0.03 -0.29 -1.65 0.00 0.00 177.43 176.98 2kb6 h ILE 22 N 0.08 1.00 0.00 2.81 2.10 -0.65 -2.45 117.51 120.39 2kb6 h ILE 22 Ca -0.37 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2kb6 h ILE 22 Cb 2.05 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.83 2kb6 h ILE 22 CO 0.12 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.22 2kb6 h MET 23 N 0.00 0.00 -0.00 2.19 -0.00 -1.61 0.88 114.93 116.38 2kb6 h MET 23 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kb6 h MET 23 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 2kb6 h MET 23 CO 0.00 0.00 -0.11 0.45 -0.00 0.00 0.00 176.91 177.25 2kb6 n SER 24 N -2.50 0.57 -4.77 -0.10 2.88 -0.92 -0.47 113.62 108.30 2kb6 n SER 24 Ca 0.00 -0.69 -0.39 0.00 -1.33 0.00 0.00 58.87 56.46 2kb6 n SER 24 Cb 0.16 -0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2kb6 n SER 24 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kb6 s THR 25 N -2.42 4.69 0.66 2.46 2.01 0.30 -4.87 115.64 118.47 2kb6 s THR 25 Ca 0.30 1.45 0.38 0.00 0.31 0.00 0.00 61.69 64.13 2kb6 s THR 25 Cb 0.20 -4.02 0.39 0.00 0.01 0.00 0.00 72.50 69.07 2kb6 s THR 25 CO 0.46 0.46 2.18 -1.13 -0.69 0.00 0.00 174.62 175.91 2kb6 h ASN 26 N 5.06 0.00 -0.33 3.53 -0.73 -1.85 0.26 115.58 121.52 2kb6 h ASN 26 Ca -0.46 0.00 0.07 0.00 1.87 0.00 0.00 56.30 57.78 2kb6 h ASN 26 Cb 1.21 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.72 2kb6 h ASN 26 CO 0.68 0.00 -0.16 0.25 -0.37 0.00 0.00 177.43 177.82 2kb6 h LEU 27 N 0.00 -0.55 0.00 0.34 6.46 -1.92 -3.12 115.31 116.51 2kb6 h LEU 27 Ca 0.01 0.13 -0.30 0.00 -0.12 0.00 0.00 57.88 57.59 2kb6 h LEU 27 Cb 0.29 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.46 2kb6 h LEU 27 CO -0.00 -0.20 -2.03 0.49 -0.62 0.00 0.00 178.44 176.08 2kb6 n PHE 28 N -5.34 0.46 -4.07 1.25 3.01 0.08 -5.01 117.46 107.85 2kb6 n PHE 28 Ca 0.01 0.16 -0.46 0.00 1.01 0.00 0.00 57.45 58.17 2kb6 n PHE 28 Cb 0.25 -1.05 0.02 0.00 -0.01 0.00 0.00 39.48 38.69 2kb6 n PHE 28 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2kb6 n HIS 29 N -2.85 -1.41 -3.56 1.38 1.44 0.69 -1.96 115.22 108.96 2kb6 n HIS 29 Ca -0.23 0.10 -0.24 0.00 -2.01 0.00 0.00 57.72 55.33 2kb6 n HIS 29 Cb 1.06 -2.82 0.05 0.00 0.12 0.00 0.00 29.99 28.40 2kb6 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kb6 s LYS 31 N -5.51 3.92 -0.07 0.00 0.00 -0.83 -4.97 119.74 112.29 2kb6 s LYS 31 Ca 0.36 0.84 -0.13 0.00 0.00 0.00 0.00 55.97 57.04 2kb6 s LYS 31 Cb -0.10 -2.21 -0.29 0.00 0.00 0.00 0.00 37.83 35.23 2kb6 s LYS 31 CO 0.81 -0.19 0.62 -0.44 0.00 0.00 0.00 175.35 176.15 2kb6 h ASP 32 N 1.08 0.51 -3.72 0.03 3.32 -1.91 -3.46 116.42 112.27 2kb6 h ASP 32 Ca -0.47 -0.90 -0.20 0.00 0.02 0.00 0.00 57.03 55.48 2kb6 h ASP 32 Cb 1.18 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 40.29 2kb6 h ASP 32 CO 0.62 1.71 -0.55 -1.59 -1.72 0.00 0.00 179.24 177.71 2kb6 s LYS 33 N -2.53 0.16 -0.17 3.56 0.00 -1.25 -1.07 119.74 118.45 2kb6 s LYS 33 Ca -0.18 0.24 -0.04 0.00 0.00 0.00 0.00 55.97 55.99 2kb6 s LYS 33 Cb 0.05 0.04 0.08 0.00 0.00 0.00 0.00 37.83 38.00 2kb6 s LYS 33 CO 0.81 -0.05 0.27 1.21 0.00 0.00 0.00 175.35 177.60 2kb6 s ASN 34 N 0.29 0.62 -0.50 0.03 2.47 -0.65 -4.98 114.94 112.21 2kb6 s ASN 34 Ca -0.02 0.31 -0.16 0.00 0.42 0.00 0.00 52.86 53.42 2kb6 s ASN 34 Cb -0.03 0.68 0.10 0.00 -1.45 0.00 0.00 41.25 40.55 2kb6 s ASN 34 CO -0.01 -0.27 0.46 -0.89 -3.72 0.00 0.00 177.10 172.66 2kb6 s THR 35 N 2.42 5.20 -0.00 -5.21 2.01 -1.26 -2.22 115.64 116.57 2kb6 s THR 35 Ca 0.04 -1.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.67 2kb6 s THR 35 Cb -0.14 -4.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 2kb6 s THR 35 CO -0.11 -0.72 0.47 0.72 -0.69 0.00 0.00 174.62 174.29 2kb6 s PHE 36 N 1.70 3.71 -0.26 4.92 -0.12 -1.20 -4.95 117.98 121.78 2kb6 s PHE 36 Ca 0.04 1.05 -0.21 0.00 -0.05 0.00 0.00 56.93 57.76 2kb6 s PHE 36 Cb -0.26 -2.40 -0.01 0.00 -0.63 0.00 0.00 43.02 39.72 2kb6 s PHE 36 CO 0.05 0.54 0.68 0.42 -0.05 0.00 0.00 175.22 176.87 2kb6 s ILE 37 N -0.77 4.93 -0.72 -4.49 1.09 -1.10 -3.01 121.20 117.13 2kb6 s ILE 37 Ca 0.26 1.18 -0.20 0.00 -1.10 0.00 0.00 60.65 60.79 2kb6 s ILE 37 Cb -0.17 -4.00 0.11 0.00 -1.06 0.00 0.00 42.46 37.34 2kb6 s ILE 37 CO 0.14 -0.04 0.90 -0.47 -0.10 0.00 0.00 174.94 175.37 2kb6 s TYR 38 N 2.62 2.99 0.26 3.97 5.04 -0.06 -1.17 117.35 131.00 2kb6 s TYR 38 Ca 0.28 -1.03 -0.16 0.00 -2.44 0.00 0.00 57.07 53.72 2kb6 s TYR 38 Cb -0.15 -4.15 0.01 0.00 0.35 0.00 0.00 41.96 38.01 2kb6 s TYR 38 CO 0.09 -1.43 0.57 0.45 -1.34 0.00 0.00 175.55 173.89 2kb6 s SER 39 N 3.54 -0.15 0.76 4.32 0.15 -1.25 -3.95 113.70 117.12 2kb6 s SER 39 Ca 0.21 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 2kb6 s SER 39 Cb -0.16 0.64 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2kb6 s SER 39 CO 0.02 -1.23 1.12 -0.13 1.20 0.00 0.00 173.24 174.22 2kb6 s ARG 40 N -3.96 2.20 0.26 5.44 0.52 -1.26 -4.88 118.95 117.28 2kb6 s ARG 40 Ca 0.18 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 56.71 2kb6 s ARG 40 Cb -0.03 -1.88 0.34 0.00 0.52 0.00 0.00 34.95 33.90 2kb6 s ARG 40 CO 0.08 -1.71 1.77 -1.00 0.02 0.00 0.00 175.30 174.46 2kb6 h PRO 41 N -0.85 0.80 -0.06 3.54 0.13 -2.01 -3.29 132.00 130.26 2kb6 h PRO 41 Ca -0.45 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.46 2kb6 h PRO 41 Cb 1.25 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kb6 h PRO 41 CO 0.50 0.79 -0.02 0.93 -0.23 0.00 0.00 178.00 179.98 2kb6 h GLU 42 N 0.75 0.12 -0.99 0.86 4.39 -1.98 -1.34 114.58 116.38 2kb6 h GLU 42 Ca 0.15 -0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.96 2kb6 h GLU 42 Cb 0.43 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.98 2kb6 h GLU 42 CO 0.02 0.46 0.62 -1.35 -1.16 0.00 0.00 179.01 177.60 2kb6 h PRO 43 N -0.22 0.81 -0.18 2.33 0.11 -1.98 0.30 132.00 133.16 2kb6 h PRO 43 Ca 0.02 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2kb6 h PRO 43 Cb 0.42 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2kb6 h PRO 43 CO 0.01 0.54 0.01 0.28 -0.21 0.00 0.00 178.00 178.62 2kb6 h VAL 44 N 0.83 1.24 -0.02 3.15 2.07 -1.52 -2.70 116.25 119.31 2kb6 h VAL 44 Ca 0.54 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2kb6 h VAL 44 Cb 0.75 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2kb6 h VAL 44 CO -0.32 0.25 -0.25 0.50 0.02 0.00 0.00 177.57 177.77 2kb6 h LYS 45 N 0.08 0.03 0.00 1.57 3.64 -0.74 -2.73 116.57 118.44 2kb6 h LYS 45 Ca 0.05 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kb6 h LYS 45 Cb 0.36 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2kb6 h LYS 45 CO 0.01 0.29 -0.17 0.00 -2.27 0.00 0.00 179.45 177.31 2kb6 h ALA 46 N 1.71 1.43 0.00 5.00 0.00 -0.10 -0.43 119.26 126.87 2kb6 h ALA 46 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2kb6 h ALA 46 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kb6 h ALA 46 CO 0.03 0.21 -0.20 0.82 0.00 0.00 0.00 179.25 180.11 2kb6 h ILE 47 N 0.00 1.00 -0.34 0.00 2.04 -1.36 -2.41 117.51 116.44 2kb6 h ILE 47 Ca -0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2kb6 h ILE 47 Cb 0.36 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2kb6 h ILE 47 CO 0.02 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.37 2kb6 s LYS 49 N -1.55 3.88 0.00 0.00 2.20 -0.91 -1.22 119.74 122.15 2kb6 s LYS 49 Ca 0.26 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 2kb6 s LYS 49 Cb 0.14 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.40 2kb6 s LYS 49 CO 0.19 -1.20 0.00 0.41 -0.36 0.00 0.00 175.35 174.39 2kb6 n GLY 50 N 4.58 0.61 3.44 5.54 0.00 -1.26 -5.04 105.19 113.06 2kb6 n GLY 50 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 2kb6 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb6 s ILE 51 N -2.40 5.08 -0.21 -0.61 1.01 -0.35 -4.88 121.20 118.84 2kb6 s ILE 51 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 2kb6 s ILE 51 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2kb6 s ILE 51 CO 0.00 -0.59 -0.32 0.00 0.00 0.00 0.00 174.94 174.03 2kb6 n ILE 52 N 5.40 1.40 -1.50 2.92 0.13 -1.26 0.11 119.36 126.56 2kb6 n ILE 52 Ca -0.09 -0.16 -0.30 0.00 -1.10 0.00 0.00 62.75 61.10 2kb6 n ILE 52 Cb 0.45 -1.99 0.08 0.00 -0.84 0.00 0.00 39.64 37.34 2kb6 n ILE 52 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2kb6 s ALA 53 N -2.58 2.31 -0.57 1.51 0.00 -1.26 -0.90 121.76 120.27 2kb6 s ALA 53 Ca -0.31 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 2kb6 s ALA 53 Cb 0.10 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2kb6 s ALA 53 CO 0.42 -1.64 1.55 -1.12 0.00 0.00 0.00 175.76 174.97 2kb6 s SER 54 N -3.78 5.89 -0.03 0.00 0.01 -1.26 -4.54 113.70 110.00 2kb6 s SER 54 Ca 0.60 0.33 -0.09 0.00 1.31 0.00 0.00 55.95 58.09 2kb6 s SER 54 Cb -0.15 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.55 2kb6 s SER 54 CO 0.55 -1.89 0.21 -1.59 0.41 0.00 0.00 173.24 170.93 2kb6 s LYS 55 N 5.93 0.45 0.11 12.44 0.00 -1.19 -5.02 119.74 132.46 2kb6 s LYS 55 Ca 0.57 -0.08 -0.16 0.00 0.00 0.00 0.00 55.97 56.30 2kb6 s LYS 55 Cb -0.12 0.20 -0.07 0.00 0.00 0.00 0.00 37.83 37.84 2kb6 s LYS 55 CO 0.24 -0.10 0.54 0.54 0.00 0.00 0.00 175.35 176.57 2kb6 s ASN 56 N -0.80 6.91 0.01 0.03 4.22 -1.26 -2.68 114.94 121.37 2kb6 s ASN 56 Ca -0.09 1.13 0.02 0.00 -2.14 0.00 0.00 52.86 51.79 2kb6 s ASN 56 Cb -0.05 -2.31 -0.01 0.00 1.28 0.00 0.00 41.25 40.16 2kb6 s ASN 56 CO 0.02 0.18 -0.08 -0.69 -2.04 0.00 0.00 177.10 174.49 2kb6 s VAL 57 N -1.31 0.60 0.03 3.54 1.01 -0.71 -4.96 120.40 118.61 2kb6 s VAL 57 Ca 0.33 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 2kb6 s VAL 57 Cb -0.17 -0.54 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2kb6 s VAL 57 CO 0.19 0.05 0.58 -0.76 0.00 0.00 0.00 175.10 175.15 2kb6 s LEU 58 N -0.51 4.47 0.43 3.92 1.43 -1.26 -2.47 118.68 124.70 2kb6 s LEU 58 Ca 0.00 1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 54.07 2kb6 s LEU 58 Cb -0.04 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 2kb6 s LEU 58 CO 0.00 0.18 1.02 0.41 0.23 0.00 0.00 176.35 178.19 2kb6 n THR 59 N 2.25 2.52 0.68 5.49 -1.04 -0.04 -4.91 114.28 119.24 2kb6 n THR 59 Ca -0.08 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.55 2kb6 n THR 59 Cb 0.51 -1.18 0.31 0.00 -1.82 0.00 0.00 70.33 68.15 2kb6 n THR 59 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2kb6 n THR 60 N -0.56 0.37 -4.43 12.58 -1.04 -1.26 -4.75 114.28 115.19 2kb6 n THR 60 Ca 0.09 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 2kb6 n THR 60 Cb 0.40 -0.29 -0.11 0.00 -1.82 0.00 0.00 70.33 68.51 2kb6 n THR 60 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kb6 s SER 61 N -4.09 2.21 -0.18 8.00 0.01 -1.26 -5.11 113.70 113.29 2kb6 s SER 61 Ca 0.09 -1.38 -0.14 0.00 1.31 0.00 0.00 55.95 55.84 2kb6 s SER 61 Cb 0.14 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2kb6 s SER 61 CO 0.65 -0.62 0.30 -1.83 0.41 0.00 0.00 173.24 172.15 2kb6 s GLU 62 N -3.91 4.22 0.35 12.44 1.03 -1.26 -4.03 118.70 127.53 2kb6 s GLU 62 Ca 0.37 0.07 0.08 0.00 0.03 0.00 0.00 54.97 55.52 2kb6 s GLU 62 Cb 0.09 -3.47 -0.04 0.00 -0.80 0.00 0.00 34.13 29.91 2kb6 s GLU 62 CO 0.15 0.15 0.16 -0.06 -1.33 0.00 0.00 175.26 174.33 2kb6 s PHE 63 N 0.75 2.71 -0.61 4.83 0.40 0.14 -4.63 117.98 121.56 2kb6 s PHE 63 Ca 0.16 -0.39 -0.28 0.00 -0.60 0.00 0.00 56.93 55.82 2kb6 s PHE 63 Cb -0.13 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 41.75 2kb6 s PHE 63 CO 0.05 0.31 1.26 0.71 0.70 0.00 0.00 175.22 178.25 2kb6 s TYR 64 N -2.43 2.47 -0.10 0.36 2.02 -1.25 -1.60 117.35 116.81 2kb6 s TYR 64 Ca 0.38 0.33 0.04 0.00 -0.37 0.00 0.00 57.07 57.45 2kb6 s TYR 64 Cb -0.02 -4.52 0.00 0.00 -0.40 0.00 0.00 41.96 37.02 2kb6 s TYR 64 CO 0.23 -1.77 -0.24 -0.51 -1.57 0.00 0.00 175.55 171.70 2kb6 s LEU 65 N 5.34 2.10 -0.33 -1.29 1.43 0.70 -0.88 118.68 125.75 2kb6 s LEU 65 Ca 0.43 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2kb6 s LEU 65 Cb -0.08 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2kb6 s LEU 65 CO 0.23 0.15 0.11 -0.44 0.23 0.00 0.00 176.35 176.64 2kb6 s SER 66 N 0.38 5.31 -0.09 2.29 0.01 -1.16 0.16 113.70 120.60 2kb6 s SER 66 Ca -0.18 -0.97 -0.22 0.00 1.31 0.00 0.00 55.95 55.90 2kb6 s SER 66 Cb -0.18 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 2kb6 s SER 66 CO 0.08 -0.29 0.63 -1.81 0.41 0.00 0.00 173.24 172.26 2kb6 s ASP 67 N 1.46 6.87 -0.48 2.44 1.01 0.23 -3.25 116.67 124.94 2kb6 s ASP 67 Ca 0.00 1.04 -0.12 0.00 0.71 0.00 0.00 52.55 54.19 2kb6 s ASP 67 Cb -0.19 -2.37 0.11 0.00 1.01 0.00 0.00 42.92 41.49 2kb6 s ASP 67 CO 0.03 -0.09 0.38 0.00 0.21 0.00 0.00 175.17 175.70 2kb6 s ASN 69 N 2.83 4.77 0.39 0.00 0.01 -1.26 -1.64 114.94 120.04 2kb6 s ASN 69 Ca 0.04 -1.43 -0.26 0.00 -0.71 0.00 0.00 52.86 50.50 2kb6 s ASN 69 Cb -0.27 -1.66 -0.11 0.00 0.41 0.00 0.00 41.25 39.62 2kb6 s ASN 69 CO 0.01 -0.27 1.30 0.55 -1.51 0.00 0.00 177.10 177.18 2kb6 n VAL 70 N 4.53 2.34 -1.81 1.60 3.14 -0.23 -4.18 118.33 123.72 2kb6 n VAL 70 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 2kb6 n VAL 70 Cb 0.43 -1.61 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2kb6 n VAL 70 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kb6 n THR 71 N 0.02 0.00 0.08 1.55 -2.24 -0.43 -4.95 114.28 108.31 2kb6 n THR 71 Ca 0.05 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.01 2kb6 n THR 71 Cb 0.38 -0.06 0.71 0.00 -2.10 0.00 0.00 70.33 69.26 2kb6 n THR 71 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kb6 h SER 72 N 0.00 0.00 -3.18 3.42 0.02 -1.96 -3.41 113.55 108.44 2kb6 h SER 72 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 2kb6 h SER 72 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 2kb6 h SER 72 CO 0.00 0.00 -0.10 -0.13 -1.14 0.00 0.00 176.83 175.46 2kb6 s ARG 73 N -4.95 4.14 -0.02 3.45 0.52 -1.26 -5.01 118.95 115.81 2kb6 s ARG 73 Ca -0.05 0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 55.46 2kb6 s ARG 73 Cb 0.18 -3.27 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 2kb6 s ARG 73 CO 0.68 0.57 1.86 -1.25 0.02 0.00 0.00 175.30 177.19 2kb6 s PRO 74 N -0.80 4.07 -0.66 3.54 0.04 -1.26 -1.64 135.00 138.29 2kb6 s PRO 74 Ca 0.27 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2kb6 s PRO 74 Cb -0.18 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.25 2kb6 s PRO 74 CO 0.16 -1.01 0.00 0.00 0.04 0.00 0.00 177.00 176.19 2kb6 s LYS 76 N -2.40 3.34 0.35 0.00 -0.14 -0.65 -5.00 119.74 115.26 2kb6 s LYS 76 Ca 0.00 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 2kb6 s LYS 76 Cb 0.00 -2.66 -0.00 0.00 -1.68 0.00 0.00 37.83 33.49 2kb6 s LYS 76 CO 0.00 0.14 0.45 1.52 -0.76 0.00 0.00 175.35 176.70 2kb6 s TYR 77 N 0.54 1.24 0.01 3.18 -0.85 -1.26 -1.31 117.35 118.89 2kb6 s TYR 77 Ca -0.09 -1.40 0.07 0.00 -0.52 0.00 0.00 57.07 55.14 2kb6 s TYR 77 Cb -0.16 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 41.96 2kb6 s TYR 77 CO 0.04 -1.11 -0.22 -1.59 -1.52 0.00 0.00 175.55 171.14 2kb6 s LYS 78 N -3.02 1.67 -0.19 -3.49 0.00 -1.26 -4.94 119.74 108.50 2kb6 s LYS 78 Ca 0.33 -0.87 -0.29 0.00 0.00 0.00 0.00 55.97 55.13 2kb6 s LYS 78 Cb -0.00 -1.69 -0.02 0.00 0.00 0.00 0.00 37.83 36.12 2kb6 s LYS 78 CO 0.23 0.45 1.45 -1.17 0.00 0.00 0.00 175.35 176.31 2kb6 s LEU 79 N -0.80 4.04 -0.39 2.77 0.20 -1.26 -4.15 118.68 119.08 2kb6 s LEU 79 Ca 0.09 1.65 -0.06 0.00 0.69 0.00 0.00 54.13 56.49 2kb6 s LEU 79 Cb -0.09 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 42.21 2kb6 s LEU 79 CO 0.00 -1.02 0.19 -0.75 -0.29 0.00 0.00 176.35 174.48 2kb6 s LYS 80 N 4.13 2.45 -0.25 1.98 2.47 0.20 -4.95 119.74 125.76 2kb6 s LYS 80 Ca 0.64 -1.48 -0.18 0.00 -1.56 0.00 0.00 55.97 53.39 2kb6 s LYS 80 Cb -0.24 -3.62 -0.03 0.00 -1.46 0.00 0.00 37.83 32.49 2kb6 s LYS 80 CO 0.24 -0.90 0.53 0.15 0.16 0.00 0.00 175.35 175.53 2kb6 s LYS 81 N 1.34 4.09 0.12 4.03 1.02 -1.26 0.77 119.74 129.84 2kb6 s LYS 81 Ca 0.02 0.37 0.05 0.00 0.02 0.00 0.00 55.97 56.43 2kb6 s LYS 81 Cb -0.22 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 2kb6 s LYS 81 CO 0.00 -0.34 -0.12 -1.12 -0.92 0.00 0.00 175.35 172.85 2kb6 s SER 82 N 1.50 1.78 -0.33 2.83 0.01 0.12 -4.99 113.70 114.62 2kb6 s SER 82 Ca 0.22 -0.84 0.01 0.00 1.31 0.00 0.00 55.95 56.65 2kb6 s SER 82 Cb -0.16 -0.03 0.09 0.00 0.21 0.00 0.00 66.02 66.13 2kb6 s SER 82 CO 0.09 -0.21 0.05 -0.89 0.41 0.00 0.00 173.24 172.68 2kb6 s THR 83 N -2.42 2.62 0.21 1.44 2.01 -1.26 -0.21 115.64 118.03 2kb6 s THR 83 Ca 0.09 -1.97 -0.15 0.00 0.31 0.00 0.00 61.69 59.97 2kb6 s THR 83 Cb -0.03 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.75 2kb6 s THR 83 CO 0.02 -0.42 0.49 0.21 -0.69 0.00 0.00 174.62 174.22 2kb6 s ASN 84 N 1.22 -0.17 0.87 3.53 2.47 -0.63 -4.71 114.94 117.52 2kb6 s ASN 84 Ca 0.04 -0.64 -0.11 0.00 0.42 0.00 0.00 52.86 52.56 2kb6 s ASN 84 Cb -0.20 0.56 0.11 0.00 -1.45 0.00 0.00 41.25 40.27 2kb6 s ASN 84 CO -0.05 -1.06 1.09 -0.54 -3.72 0.00 0.00 177.10 172.82 2kb6 s LYS 85 N -3.92 1.49 0.10 0.43 1.02 -1.26 -0.68 119.74 116.92 2kb6 s LYS 85 Ca 0.13 0.82 -0.09 0.00 0.02 0.00 0.00 55.97 56.86 2kb6 s LYS 85 Cb -0.01 -1.84 -0.00 0.00 -0.52 0.00 0.00 37.83 35.47 2kb6 s LYS 85 CO 0.01 -2.08 0.20 -0.59 -0.92 0.00 0.00 175.35 171.97 2kb6 s PHE 86 N -2.97 0.18 -0.17 3.18 -0.12 -1.26 -4.51 117.98 112.31 2kb6 s PHE 86 Ca 0.63 -0.60 -0.01 0.00 -0.05 0.00 0.00 56.93 56.90 2kb6 s PHE 86 Cb -0.17 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.15 2kb6 s PHE 86 CO 0.56 -0.56 -0.12 0.00 -0.05 0.00 0.00 175.22 175.05 2kb6 s ALA 87 N -3.87 2.61 0.15 1.99 0.00 -1.02 -0.86 121.76 120.75 2kb6 s ALA 87 Ca 0.06 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2kb6 s ALA 87 Cb 0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2kb6 s ALA 87 CO -0.10 -0.08 -0.20 0.14 0.00 0.00 0.00 175.76 175.52 2kb6 s VAL 88 N 0.90 1.85 -0.30 0.00 -7.23 -1.03 -0.63 120.40 113.95 2kb6 s VAL 88 Ca -0.03 -1.84 -0.13 0.00 -1.81 0.00 0.00 61.98 58.18 2kb6 s VAL 88 Cb -0.15 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2kb6 s VAL 88 CO -0.01 -0.23 0.25 -0.89 -0.31 0.00 0.00 175.10 173.91 2kb6 s THR 89 N -1.79 5.27 0.04 5.32 2.01 0.62 -1.74 115.64 125.36 2kb6 s THR 89 Ca 0.14 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2kb6 s THR 89 Cb -0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2kb6 s THR 89 CO 0.06 0.13 -0.06 0.00 -0.69 0.00 0.00 174.62 174.07 2kb6 s GLU 91 N -1.73 0.13 -1.39 0.00 2.12 -0.72 -3.15 118.70 113.96 2kb6 s GLU 91 Ca 0.20 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.94 2kb6 s GLU 91 Cb -0.11 -0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.12 2kb6 s GLU 91 CO 0.11 -0.17 0.29 0.09 -0.54 0.00 0.00 175.26 175.04 2kb6 n ASN 92 N 4.24 -5.29 -3.60 -1.70 5.03 -0.07 -2.97 115.26 110.90 2kb6 n ASN 92 Ca -0.26 -0.14 -0.22 0.00 0.87 0.00 0.00 54.58 54.83 2kb6 n ASN 92 Cb 0.52 -4.23 0.07 0.00 -1.02 0.00 0.00 39.78 35.11 2kb6 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb6 n GLN 93 N -3.15 -6.57 -3.75 3.52 6.02 0.29 -4.97 117.38 108.78 2kb6 n GLN 93 Ca -0.14 0.76 -0.12 0.00 -0.01 0.00 0.00 57.00 57.49 2kb6 n GLN 93 Cb 0.63 -5.69 -0.11 0.00 1.02 0.00 0.00 30.24 26.08 2kb6 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kb6 s ALA 94 N -3.40 -0.80 -0.62 -1.58 0.00 -1.16 -4.83 121.76 109.37 2kb6 s ALA 94 Ca 0.28 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 2kb6 s ALA 94 Cb -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2kb6 s ALA 94 CO 0.76 -0.18 1.25 -1.25 0.00 0.00 0.00 175.76 176.34 2kb6 s PRO 95 N 0.55 3.40 0.00 0.00 0.05 -1.26 -1.75 135.00 135.98 2kb6 s PRO 95 Ca -0.03 0.14 0.08 0.00 0.05 0.00 0.00 61.00 61.24 2kb6 s PRO 95 Cb -0.05 -4.07 0.18 0.00 0.05 0.00 0.00 34.50 30.61 2kb6 s PRO 95 CO -0.03 -1.84 1.07 1.33 0.05 0.00 0.00 177.00 177.58 2kb6 n VAL 96 N 6.62 0.75 -3.72 -0.36 0.24 -1.02 -4.81 118.33 116.03 2kb6 n VAL 96 Ca 0.08 -0.88 -0.14 0.00 -2.04 0.00 0.00 64.34 61.36 2kb6 n VAL 96 Cb 0.49 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.44 2kb6 n VAL 96 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2kb6 s HIS 97 N -0.92 -0.39 -0.10 6.34 5.65 -1.13 -5.00 115.29 119.74 2kb6 s HIS 97 Ca 0.15 0.84 0.00 0.00 0.25 0.00 0.00 55.06 56.30 2kb6 s HIS 97 Cb 0.08 0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.62 2kb6 s HIS 97 CO 0.11 -0.32 -0.10 0.12 -0.65 0.00 0.00 174.74 173.90 2kb6 s PHE 98 N -0.45 2.87 -0.22 3.88 5.36 -1.26 -0.28 117.98 127.87 2kb6 s PHE 98 Ca -0.06 -0.30 -0.13 0.00 -0.96 0.00 0.00 56.93 55.49 2kb6 s PHE 98 Cb -0.03 -1.79 -0.18 0.00 -0.34 0.00 0.00 43.02 40.68 2kb6 s PHE 98 CO 0.03 0.05 -0.00 0.28 -1.46 0.00 0.00 175.22 174.12 2kb6 n VAL 99 N 2.94 1.58 0.00 3.12 0.31 0.19 -4.86 118.33 121.61 2kb6 n VAL 99 Ca -0.18 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 2kb6 n VAL 99 Cb 0.53 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 2kb6 n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kb6 n GLY 100 N 1.62 4.40 3.64 2.92 0.00 -1.10 -5.02 105.19 111.65 2kb6 n GLY 100 Ca -0.41 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2kb6 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kb6 s VAL 101 N -2.00 4.24 -0.46 1.61 -7.23 -1.26 -2.44 120.40 112.86 2kb6 s VAL 101 Ca 0.00 1.43 0.03 0.00 -1.81 0.00 0.00 61.98 61.63 2kb6 s VAL 101 Cb 0.00 -4.17 0.21 0.00 0.56 0.00 0.00 36.38 32.98 2kb6 s VAL 101 CO 0.00 -0.40 0.88 0.61 -0.31 0.00 0.00 175.10 175.88 2kb6 n GLY 102 N 4.07 -0.83 3.97 2.32 0.00 -1.26 -5.01 105.19 108.45 2kb6 n GLY 102 Ca 0.14 0.65 -0.24 0.00 0.00 0.00 0.00 46.02 46.57 2kb6 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb6 s SER 103 N 0.44 4.54 0.00 1.61 1.04 -1.26 -4.92 113.70 115.15 2kb6 s SER 103 Ca 0.28 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2kb6 s SER 103 Cb 0.08 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2kb6 s SER 103 CO -0.10 -1.72 0.00 0.00 0.98 0.00 0.00 173.24 172.41