#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 0.85 0.03 1.24 2.91 -1.92 -2.00 115.95 117.06 2kb6 h TRP 3 Ca 0.00 -0.56 -0.26 0.00 1.13 0.00 0.00 58.89 59.20 2kb6 h TRP 3 Cb 0.00 -0.06 0.02 0.00 -0.51 0.00 0.00 29.16 28.61 2kb6 h TRP 3 CO 0.00 1.42 -1.06 1.25 -1.03 0.00 0.00 178.44 179.02 2kb6 h LEU 4 N 0.20 0.77 -0.93 0.65 5.85 -2.01 -3.11 115.31 116.73 2kb6 h LEU 4 Ca -0.18 -0.64 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 2kb6 h LEU 4 Cb 1.95 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2kb6 h LEU 4 CO 0.23 1.45 -0.17 0.74 -0.34 0.00 0.00 178.44 180.35 2kb6 h THR 5 N 0.31 0.39 -0.02 1.05 2.02 -2.00 -2.02 112.91 112.64 2kb6 h THR 5 Ca -0.13 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 65.88 2kb6 h THR 5 Cb 1.71 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 2kb6 h THR 5 CO 0.20 0.17 -0.42 0.15 0.37 0.00 0.00 175.52 175.98 2kb6 h PHE 6 N 0.00 0.05 -0.39 3.16 3.57 -1.30 -2.27 116.94 119.76 2kb6 h PHE 6 Ca -0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 2kb6 h PHE 6 Cb 0.79 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2kb6 h PHE 6 CO 0.00 0.46 -0.32 1.96 -2.23 0.00 0.00 178.31 178.18 2kb6 h GLN 7 N 0.03 0.88 0.00 1.11 4.20 -1.31 0.29 115.11 120.32 2kb6 h GLN 7 Ca -0.00 -0.42 -0.16 0.00 0.06 0.00 0.00 58.65 58.13 2kb6 h GLN 7 Cb 0.77 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2kb6 h GLN 7 CO 0.06 1.07 -0.77 1.57 -0.67 0.00 0.00 178.83 180.09 2kb6 h LYS 8 N 0.74 0.00 0.00 1.46 5.09 -1.45 -1.65 116.57 120.76 2kb6 h LYS 8 Ca 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 60.65 60.57 2kb6 h LYS 8 Cb 0.89 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.18 2kb6 h LYS 8 CO 0.08 0.77 -1.95 1.17 -2.09 0.00 0.00 179.45 177.43 2kb6 n LYS 9 N -3.58 0.66 0.00 0.07 4.81 -0.87 -4.66 118.16 114.59 2kb6 n LYS 9 Ca -0.01 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2kb6 n LYS 9 Cb 0.75 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2kb6 n LYS 9 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2kb6 n HIS 10 N -2.76 0.00 -4.42 5.64 8.25 0.99 -4.91 115.22 118.01 2kb6 n HIS 10 Ca -0.20 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.92 2kb6 n HIS 10 Cb 0.96 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.97 2kb6 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2kb6 s ILE 11 N -0.02 4.08 -0.03 1.59 -1.09 -0.62 0.33 121.20 125.44 2kb6 s ILE 11 Ca 0.00 -0.32 0.04 0.00 -2.23 0.00 0.00 60.65 58.14 2kb6 s ILE 11 Cb 0.00 -2.73 -0.00 0.00 -1.58 0.00 0.00 42.46 38.14 2kb6 s ILE 11 CO 0.00 0.57 -0.15 0.28 -1.23 0.00 0.00 174.94 174.40 2kb6 s THR 12 N -0.45 1.25 -2.12 2.92 -1.32 -0.54 -4.57 115.64 110.82 2kb6 s THR 12 Ca 0.08 -0.64 0.26 0.00 -1.21 0.00 0.00 61.69 60.18 2kb6 s THR 12 Cb -0.12 -1.07 0.26 0.00 -1.51 0.00 0.00 72.50 70.06 2kb6 s THR 12 CO 0.02 0.36 1.46 0.59 -2.21 0.00 0.00 174.62 174.85 2kb6 n ASN 13 N 3.03 1.58 -4.03 8.08 3.02 -1.26 -3.59 115.26 122.08 2kb6 n ASN 13 Ca -0.17 -1.29 -0.25 0.00 -0.03 0.00 0.00 54.58 52.84 2kb6 n ASN 13 Cb 0.54 0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 39.71 2kb6 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2kb6 s THR 14 N -2.33 1.19 0.26 3.41 -1.32 -1.26 -5.01 115.64 110.57 2kb6 s THR 14 Ca 0.26 -0.50 0.11 0.00 -1.21 0.00 0.00 61.69 60.35 2kb6 s THR 14 Cb 0.19 -1.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2kb6 s THR 14 CO 0.47 0.37 1.61 0.08 -2.21 0.00 0.00 174.62 174.94 2kb6 h ARG 15 N 7.01 0.00 -1.92 7.08 0.11 -1.97 -3.16 114.38 121.53 2kb6 h ARG 15 Ca -0.30 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 59.11 2kb6 h ARG 15 Cb 1.19 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 32.03 2kb6 h ARG 15 CO 0.47 0.61 0.83 -0.25 0.10 0.00 0.00 179.97 181.73 2kb6 n ASP 16 N -3.77 7.19 -4.63 0.08 8.00 -1.26 -4.97 116.55 117.20 2kb6 n ASP 16 Ca -0.01 -3.62 -0.43 0.00 0.71 0.00 0.00 54.79 51.44 2kb6 n ASP 16 Cb 0.61 -1.11 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 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 -4.12 3.80 -0.85 2.53 0.11 -1.20 -4.90 120.40 115.77 2kb6 s VAL 17 Ca 0.54 0.91 -0.21 0.00 -2.93 0.00 0.00 61.98 60.29 2kb6 s VAL 17 Cb 0.42 -3.81 -0.14 0.00 -1.53 0.00 0.00 36.38 31.32 2kb6 s VAL 17 CO -0.32 -0.33 1.96 0.47 -3.33 0.00 0.00 175.10 173.54 2kb6 n ASP 18 N 8.23 2.67 -0.15 3.54 8.00 -1.26 -4.65 116.55 132.93 2kb6 n ASP 18 Ca 0.18 -2.70 0.02 0.00 0.71 0.00 0.00 54.79 53.00 2kb6 n ASP 18 Cb 0.46 -1.19 0.30 0.00 -0.02 0.00 0.00 41.12 40.67 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 0.88 0.44 0.03 0.00 3.58 -1.88 0.26 116.42 119.73 2kb6 h ASP 20 Ca 0.24 0.05 -0.23 0.00 0.42 0.00 0.00 57.03 57.50 2kb6 h ASP 20 Cb -0.10 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 2kb6 h ASP 20 CO -0.05 0.16 -1.27 0.78 -2.88 0.00 0.00 179.24 175.99 2kb6 h ASN 21 N 0.43 0.10 -0.53 2.28 -0.26 -1.34 -3.38 115.58 112.88 2kb6 h ASN 21 Ca 0.49 -0.65 0.14 0.00 -0.56 0.00 0.00 56.30 55.71 2kb6 h ASN 21 Cb 1.19 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 38.40 2kb6 h ASN 21 CO -0.20 1.51 0.37 -0.29 -1.06 0.00 0.00 177.43 177.76 2kb6 h ILE 22 N -0.77 0.78 0.00 2.81 2.10 -0.17 -1.51 117.51 120.74 2kb6 h ILE 22 Ca -0.32 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2kb6 h ILE 22 Cb 1.43 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.84 2kb6 h ILE 22 CO -0.12 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 176.97 2kb6 h MET 23 N 0.10 0.00 0.00 2.19 -0.00 -1.13 0.64 114.93 116.72 2kb6 h MET 23 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.95 2kb6 h MET 23 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2kb6 h MET 23 CO -0.02 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.32 2kb6 n SER 24 N -2.45 0.30 -4.75 -0.10 7.64 -0.57 -0.35 113.62 113.34 2kb6 n SER 24 Ca 0.00 0.54 -0.40 0.00 1.01 0.00 0.00 58.87 60.03 2kb6 n SER 24 Cb 0.16 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 2kb6 n SER 24 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb6 s THR 25 N -3.07 4.32 0.08 0.44 2.01 0.22 -4.85 115.64 114.79 2kb6 s THR 25 Ca 0.10 1.90 0.27 0.00 0.31 0.00 0.00 61.69 64.27 2kb6 s THR 25 Cb 0.14 -4.24 0.27 0.00 0.01 0.00 0.00 72.50 68.67 2kb6 s THR 25 CO 0.46 0.46 1.80 -1.13 -0.69 0.00 0.00 174.62 175.53 2kb6 h ASN 26 N 4.63 0.00 -0.20 3.53 -0.00 -1.85 0.28 115.58 121.98 2kb6 h ASN 26 Ca -0.45 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 55.90 2kb6 h ASN 26 Cb 1.20 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.47 2kb6 h ASN 26 CO 0.68 0.00 -0.15 0.25 -0.00 0.00 0.00 177.43 178.21 2kb6 h LEU 27 N 0.00 -0.48 0.00 0.34 6.46 -1.90 -3.12 115.31 116.60 2kb6 h LEU 27 Ca 0.00 0.10 -0.19 0.00 -0.12 0.00 0.00 57.88 57.67 2kb6 h LEU 27 Cb 0.11 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2kb6 h LEU 27 CO 0.00 -0.19 -1.80 0.49 -0.62 0.00 0.00 178.44 176.31 2kb6 n PHE 28 N -5.31 0.50 -4.11 1.25 3.01 -0.04 -4.99 117.46 107.77 2kb6 n PHE 28 Ca -0.02 0.17 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 2kb6 n PHE 28 Cb 0.22 -0.94 -0.04 0.00 -0.01 0.00 0.00 39.48 38.72 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 -2.71 -1.59 -3.37 1.38 1.44 0.78 -1.34 115.22 109.81 2kb6 n HIS 29 Ca -0.15 0.73 -0.19 0.00 -2.01 0.00 0.00 57.72 56.10 2kb6 n HIS 29 Cb 0.87 -3.31 0.06 0.00 0.12 0.00 0.00 29.99 27.73 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 -4.83 3.96 0.00 0.00 0.00 -0.45 -4.95 119.74 113.47 2kb6 s LYS 31 Ca 0.46 0.84 -0.19 0.00 0.00 0.00 0.00 55.97 57.08 2kb6 s LYS 31 Cb -0.09 -2.23 -0.29 0.00 0.00 0.00 0.00 37.83 35.23 2kb6 s LYS 31 CO 0.77 -0.13 1.02 -0.44 0.00 0.00 0.00 175.35 176.57 2kb6 h ASP 32 N 1.29 0.63 -3.89 0.03 3.32 -1.91 -3.46 116.42 112.43 2kb6 h ASP 32 Ca -0.47 -0.86 -0.14 0.00 0.02 0.00 0.00 57.03 55.58 2kb6 h ASP 32 Cb 1.18 -0.20 -0.24 0.00 0.22 0.00 0.00 39.33 40.29 2kb6 h ASP 32 CO 0.62 1.42 -0.31 -1.59 -1.72 0.00 0.00 179.24 177.67 2kb6 s LYS 33 N -2.84 0.41 -0.11 3.56 0.00 -1.25 -0.93 119.74 118.58 2kb6 s LYS 33 Ca -0.12 0.47 -0.05 0.00 0.00 0.00 0.00 55.97 56.26 2kb6 s LYS 33 Cb 0.03 0.20 0.05 0.00 0.00 0.00 0.00 37.83 38.11 2kb6 s LYS 33 CO 0.86 -0.05 0.25 1.21 0.00 0.00 0.00 175.35 177.63 2kb6 s ASN 34 N 0.15 -0.26 -0.25 0.03 2.47 -1.14 -5.00 114.94 110.93 2kb6 s ASN 34 Ca -0.00 0.54 -0.08 0.00 0.42 0.00 0.00 52.86 53.74 2kb6 s ASN 34 Cb -0.02 0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 40.17 2kb6 s ASN 34 CO 0.01 -0.17 0.08 -0.89 -3.72 0.00 0.00 177.10 172.41 2kb6 s THR 35 N 1.30 4.43 -0.04 -5.21 2.01 -1.26 -2.68 115.64 114.18 2kb6 s THR 35 Ca -0.09 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.82 2kb6 s THR 35 Cb -0.10 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2kb6 s THR 35 CO -0.09 0.33 -0.15 0.72 -0.69 0.00 0.00 174.62 174.74 2kb6 s PHE 36 N 1.63 2.67 -0.38 4.92 -0.12 -0.99 -4.84 117.98 120.87 2kb6 s PHE 36 Ca 0.06 -0.18 -0.22 0.00 -0.05 0.00 0.00 56.93 56.54 2kb6 s PHE 36 Cb -0.15 -1.61 0.01 0.00 -0.63 0.00 0.00 43.02 40.64 2kb6 s PHE 36 CO 0.05 0.17 0.73 0.42 -0.05 0.00 0.00 175.22 176.54 2kb6 s ILE 37 N -0.73 4.77 -0.88 -4.49 1.01 0.15 -2.25 121.20 118.78 2kb6 s ILE 37 Ca 0.12 0.67 -0.21 0.00 0.00 0.00 0.00 60.65 61.23 2kb6 s ILE 37 Cb -0.11 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.27 2kb6 s ILE 37 CO 0.01 -0.45 1.17 -0.47 0.00 0.00 0.00 174.94 175.20 2kb6 s TYR 38 N 2.99 2.84 0.37 3.97 5.04 0.74 -1.46 117.35 131.84 2kb6 s TYR 38 Ca 0.28 -1.00 -0.13 0.00 -2.44 0.00 0.00 57.07 53.78 2kb6 s TYR 38 Cb -0.13 -4.40 0.04 0.00 0.35 0.00 0.00 41.96 37.82 2kb6 s TYR 38 CO 0.17 -1.66 0.72 -1.12 -1.34 0.00 0.00 175.55 172.32 2kb6 s SER 39 N 3.96 0.18 0.63 4.32 0.01 -1.24 -4.08 113.70 117.48 2kb6 s SER 39 Ca 0.33 -1.20 -0.12 0.00 1.31 0.00 0.00 55.95 56.27 2kb6 s SER 39 Cb -0.07 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 2kb6 s SER 39 CO -0.04 -1.60 1.04 -0.13 0.41 0.00 0.00 173.24 172.92 2kb6 s ARG 40 N -2.52 3.38 0.16 12.44 3.00 -1.26 -4.78 118.95 129.37 2kb6 s ARG 40 Ca 0.18 0.92 -0.11 0.00 0.00 0.00 0.00 55.73 56.72 2kb6 s ARG 40 Cb -0.04 -2.05 0.03 0.00 0.00 0.00 0.00 34.95 32.89 2kb6 s ARG 40 CO 0.13 -0.74 1.61 -1.00 0.00 0.00 0.00 175.30 175.30 2kb6 h PRO 41 N -0.16 0.93 -0.39 3.54 0.13 -1.99 -3.25 132.00 130.82 2kb6 h PRO 41 Ca -0.45 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.34 2kb6 h PRO 41 Cb 1.20 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2kb6 h PRO 41 CO 0.59 0.95 0.07 0.93 -0.23 0.00 0.00 178.00 180.31 2kb6 h GLU 42 N 0.80 0.64 -0.93 0.86 4.39 -1.98 0.07 114.58 118.42 2kb6 h GLU 42 Ca 0.15 -0.17 0.17 0.00 0.34 0.00 0.00 59.36 59.85 2kb6 h GLU 42 Cb 0.53 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 2kb6 h GLU 42 CO 0.03 0.69 0.60 -1.35 -1.16 0.00 0.00 179.01 177.81 2kb6 h PRO 43 N 0.48 0.63 -0.09 2.33 0.11 -1.98 -0.02 132.00 133.47 2kb6 h PRO 43 Ca 0.12 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 2kb6 h PRO 43 Cb 0.36 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2kb6 h PRO 43 CO 0.01 0.42 -0.08 0.28 -0.21 0.00 0.00 178.00 178.41 2kb6 h VAL 44 N 0.65 1.35 -0.12 3.15 2.07 -1.30 -3.08 116.25 118.98 2kb6 h VAL 44 Ca 0.49 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2kb6 h VAL 44 Cb 0.88 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2kb6 h VAL 44 CO -0.25 0.34 0.09 0.50 0.02 0.00 0.00 177.57 178.27 2kb6 h LYS 45 N -0.18 0.00 -0.54 1.57 3.64 -0.48 -2.61 116.57 117.97 2kb6 h LYS 45 Ca 0.02 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 2kb6 h LYS 45 Cb 0.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2kb6 h LYS 45 CO 0.02 0.00 0.39 0.00 -2.27 0.00 0.00 179.45 177.59 2kb6 h ALA 46 N 1.94 2.50 0.00 5.00 0.00 -0.92 0.21 119.26 127.99 2kb6 h ALA 46 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kb6 h ALA 46 Cb 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kb6 h ALA 46 CO -0.00 -0.66 -0.10 0.82 0.00 0.00 0.00 179.25 179.32 2kb6 h ILE 47 N 0.01 1.00 -0.33 0.00 2.04 -1.62 -2.54 117.51 116.07 2kb6 h ILE 47 Ca 0.26 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2kb6 h ILE 47 Cb 1.02 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2kb6 h ILE 47 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2kb6 s LYS 49 N -1.75 3.60 0.00 0.00 2.47 -0.96 -1.09 119.74 122.01 2kb6 s LYS 49 Ca 0.27 2.13 0.00 0.00 -1.56 0.00 0.00 55.97 56.81 2kb6 s LYS 49 Cb 0.18 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 32.32 2kb6 s LYS 49 CO 0.12 -1.56 0.00 0.41 0.16 0.00 0.00 175.35 174.48 2kb6 n GLY 50 N 5.13 0.72 3.51 5.54 0.00 -1.26 -5.02 105.19 113.81 2kb6 n GLY 50 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.87 4.63 -0.25 -0.61 1.01 -0.25 -4.87 121.20 117.99 2kb6 s ILE 51 Ca 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 2kb6 s ILE 51 Cb 0.00 -4.38 -0.12 0.00 0.01 0.00 0.00 42.46 37.96 2kb6 s ILE 51 CO 0.00 -0.87 -0.23 0.00 0.00 0.00 0.00 174.94 173.84 2kb6 n ILE 52 N 6.00 1.52 -1.84 2.92 0.13 -1.26 0.13 119.36 126.96 2kb6 n ILE 52 Ca -0.01 -0.23 -0.29 0.00 -1.10 0.00 0.00 62.75 61.13 2kb6 n ILE 52 Cb 0.47 -1.99 0.10 0.00 -0.84 0.00 0.00 39.64 37.38 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 -2.54 2.49 -0.31 1.51 0.00 -1.26 -0.34 121.76 121.31 2kb6 s ALA 53 Ca -0.35 -0.65 -0.28 0.00 0.00 0.00 0.00 51.96 50.68 2kb6 s ALA 53 Cb 0.11 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 2kb6 s ALA 53 CO 0.49 -1.81 2.20 -1.12 0.00 0.00 0.00 175.76 175.52 2kb6 s SER 54 N -4.50 5.26 -0.05 0.00 0.01 -1.25 -4.24 113.70 108.92 2kb6 s SER 54 Ca 0.63 1.57 0.05 0.00 1.31 0.00 0.00 55.95 59.51 2kb6 s SER 54 Cb -0.11 -2.51 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2kb6 s SER 54 CO 0.50 -2.16 -0.20 -0.75 0.41 0.00 0.00 173.24 171.03 2kb6 s LYS 55 N 6.74 2.16 -0.36 12.44 2.47 0.48 -4.94 119.74 138.73 2kb6 s LYS 55 Ca 0.96 -0.73 -0.11 0.00 -1.56 0.00 0.00 55.97 54.53 2kb6 s LYS 55 Cb -0.27 -1.82 0.01 0.00 -1.46 0.00 0.00 37.83 34.29 2kb6 s LYS 55 CO 0.32 0.27 0.20 1.21 0.16 0.00 0.00 175.35 177.52 2kb6 s ASN 56 N 0.03 5.75 -0.00 1.43 3.04 -1.26 -0.25 114.94 123.67 2kb6 s ASN 56 Ca -0.06 -0.82 0.06 0.00 0.04 0.00 0.00 52.86 52.08 2kb6 s ASN 56 Cb -0.13 -2.04 -0.02 0.00 -1.54 0.00 0.00 41.25 37.52 2kb6 s ASN 56 CO 0.03 -0.33 -0.18 -0.69 -3.04 0.00 0.00 177.10 172.90 2kb6 s VAL 57 N 1.59 1.39 -0.09 -5.21 1.01 -0.77 -4.97 120.40 113.34 2kb6 s VAL 57 Ca 0.03 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2kb6 s VAL 57 Cb -0.18 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2kb6 s VAL 57 CO 0.07 0.34 0.46 -0.22 0.00 0.00 0.00 175.10 175.75 2kb6 s LEU 58 N -0.56 4.32 0.25 3.92 0.20 -1.26 -2.26 118.68 123.28 2kb6 s LEU 58 Ca 0.06 0.84 -0.30 0.00 0.69 0.00 0.00 54.13 55.42 2kb6 s LEU 58 Cb -0.07 -2.67 -0.14 0.00 -0.43 0.00 0.00 46.19 42.88 2kb6 s LEU 58 CO -0.00 0.07 1.22 0.41 -0.29 0.00 0.00 176.35 177.75 2kb6 n THR 59 N 3.30 1.34 0.37 3.68 -1.04 0.54 -4.89 114.28 117.57 2kb6 n THR 59 Ca -0.08 -0.33 0.12 0.00 -2.04 0.00 0.00 64.05 61.71 2kb6 n THR 59 Cb 0.52 -1.18 0.25 0.00 -1.82 0.00 0.00 70.33 68.09 2kb6 n THR 59 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2kb6 h THR 60 N 2.60 0.00 -1.49 12.58 2.02 -1.96 -3.43 112.91 123.23 2kb6 h THR 60 Ca -0.43 -0.81 -0.62 0.00 0.77 0.00 0.00 66.41 65.32 2kb6 h THR 60 Cb 1.31 1.79 -0.13 0.00 -1.74 0.00 0.00 68.15 69.38 2kb6 h THR 60 CO 0.68 0.00 -0.57 -0.44 0.37 0.00 0.00 175.52 175.57 2kb6 s SER 61 N -5.57 3.67 -0.28 4.18 0.01 -1.26 -5.09 113.70 109.35 2kb6 s SER 61 Ca 0.08 -1.49 -0.09 0.00 1.31 0.00 0.00 55.95 55.77 2kb6 s SER 61 Cb 0.08 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 2kb6 s SER 61 CO 0.65 -0.64 0.12 -1.61 0.41 0.00 0.00 173.24 172.17 2kb6 s GLU 62 N -3.79 3.52 0.33 12.44 2.02 -1.26 -4.02 118.70 127.95 2kb6 s GLU 62 Ca 0.25 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.73 2kb6 s GLU 62 Cb 0.07 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2kb6 s GLU 62 CO 0.13 -0.30 0.32 -0.06 0.02 0.00 0.00 175.26 175.38 2kb6 s PHE 63 N 1.62 2.96 -0.62 1.61 0.40 -0.81 -4.64 117.98 118.51 2kb6 s PHE 63 Ca 0.05 -0.27 -0.28 0.00 -0.60 0.00 0.00 56.93 55.83 2kb6 s PHE 63 Cb -0.16 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.58 2kb6 s PHE 63 CO 0.05 0.16 1.26 0.71 0.70 0.00 0.00 175.22 178.11 2kb6 s TYR 64 N -2.27 2.45 -0.21 0.36 2.02 -1.26 -1.78 117.35 116.66 2kb6 s TYR 64 Ca 0.41 0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 57.41 2kb6 s TYR 64 Cb -0.07 -4.52 0.00 0.00 -0.40 0.00 0.00 41.96 36.98 2kb6 s TYR 64 CO 0.27 -1.79 -0.10 -0.51 -1.57 0.00 0.00 175.55 171.85 2kb6 s LEU 65 N 5.41 2.65 -0.27 -1.29 1.43 0.12 -0.18 118.68 126.54 2kb6 s LEU 65 Ca 0.43 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 2kb6 s LEU 65 Cb -0.08 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2kb6 s LEU 65 CO 0.23 -0.02 0.14 -0.44 0.23 0.00 0.00 176.35 176.48 2kb6 s SER 66 N 1.40 5.61 -0.17 2.29 0.01 -0.95 -0.63 113.70 121.26 2kb6 s SER 66 Ca 0.05 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.16 2kb6 s SER 66 Cb -0.14 -2.03 0.01 0.00 0.21 0.00 0.00 66.02 64.08 2kb6 s SER 66 CO -0.07 -0.06 -0.19 -0.62 0.41 0.00 0.00 173.24 172.71 2kb6 s ASP 67 N 1.69 3.24 -0.48 2.44 2.15 0.17 -2.34 116.67 123.54 2kb6 s ASP 67 Ca 0.06 -0.61 -0.12 0.00 0.43 0.00 0.00 52.55 52.32 2kb6 s ASP 67 Cb -0.16 -1.50 0.11 0.00 -0.30 0.00 0.00 42.92 41.07 2kb6 s ASP 67 CO 0.08 0.02 0.37 0.00 -0.17 0.00 0.00 175.17 175.47 2kb6 s ASN 69 N 2.79 5.31 0.33 0.00 0.01 -1.26 -2.90 114.94 119.22 2kb6 s ASN 69 Ca 0.04 -0.08 -0.29 0.00 -0.71 0.00 0.00 52.86 51.82 2kb6 s ASN 69 Cb -0.26 -1.93 -0.11 0.00 0.41 0.00 0.00 41.25 39.35 2kb6 s ASN 69 CO 0.02 0.07 1.56 0.55 -1.51 0.00 0.00 177.10 177.78 2kb6 n VAL 70 N 4.23 1.42 -0.92 1.60 3.14 -0.11 -4.23 118.33 123.47 2kb6 n VAL 70 Ca -0.16 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2kb6 n VAL 70 Cb 0.52 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.32 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 1.45 0.00 -0.30 1.55 -2.24 -0.76 -4.98 114.28 109.00 2kb6 n THR 71 Ca 0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 2kb6 n THR 71 Cb 0.38 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.61 -3.10 3.42 0.02 -1.95 -3.40 113.55 109.16 2kb6 h SER 72 Ca 0.00 0.07 -0.60 0.00 -0.84 0.00 0.00 61.79 60.42 2kb6 h SER 72 Cb 0.00 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.44 2kb6 h SER 72 CO 0.00 0.30 -0.23 -0.13 -1.14 0.00 0.00 176.83 175.62 2kb6 s ARG 73 N -5.99 4.02 0.10 3.45 0.52 -1.26 -5.04 118.95 114.76 2kb6 s ARG 73 Ca -0.12 0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.10 2kb6 s ARG 73 Cb 0.21 -3.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.29 2kb6 s ARG 73 CO 0.78 0.52 1.67 -1.25 0.02 0.00 0.00 175.30 177.04 2kb6 s PRO 74 N -0.47 4.19 0.00 3.54 0.04 -1.26 -1.74 135.00 139.29 2kb6 s PRO 74 Ca 0.22 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2kb6 s PRO 74 Cb -0.15 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2kb6 s PRO 74 CO 0.10 -0.73 0.00 0.00 0.04 0.00 0.00 177.00 176.41 2kb6 s LYS 76 N -0.24 3.32 0.36 0.00 3.01 -0.71 -5.01 119.74 120.47 2kb6 s LYS 76 Ca 0.00 -0.70 -0.02 0.00 -1.01 0.00 0.00 55.97 54.24 2kb6 s LYS 76 Cb 0.00 -3.37 0.00 0.00 -1.01 0.00 0.00 37.83 33.46 2kb6 s LYS 76 CO 0.00 -0.35 0.49 1.52 0.51 0.00 0.00 175.35 177.52 2kb6 s TYR 77 N 1.55 1.12 0.13 3.18 1.13 -1.26 -1.83 117.35 121.37 2kb6 s TYR 77 Ca 0.04 -1.34 0.09 0.00 -1.41 0.00 0.00 57.07 54.46 2kb6 s TYR 77 Cb -0.16 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 2kb6 s TYR 77 CO 0.03 -1.16 -0.21 0.15 -2.51 0.00 0.00 175.55 171.85 2kb6 s LYS 78 N -2.95 1.24 -0.14 -3.49 1.02 -1.26 -4.83 119.74 109.34 2kb6 s LYS 78 Ca 0.31 -1.30 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 2kb6 s LYS 78 Cb -0.01 -1.48 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 2kb6 s LYS 78 CO 0.21 0.33 1.45 -1.17 -0.92 0.00 0.00 175.35 175.25 2kb6 s LEU 79 N -2.25 4.17 -0.27 3.17 0.20 -1.26 -4.06 118.68 118.39 2kb6 s LEU 79 Ca 0.12 1.84 -0.02 0.00 0.69 0.00 0.00 54.13 56.75 2kb6 s LEU 79 Cb -0.08 -3.54 0.03 0.00 -0.43 0.00 0.00 46.19 42.17 2kb6 s LEU 79 CO 0.06 -0.90 -0.03 -0.75 -0.29 0.00 0.00 176.35 174.44 2kb6 s LYS 80 N 3.88 2.77 -0.17 1.98 2.20 -0.84 -4.99 119.74 124.58 2kb6 s LYS 80 Ca 0.63 -1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 55.13 2kb6 s LYS 80 Cb -0.26 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2kb6 s LYS 80 CO 0.22 -0.46 0.10 0.15 -0.36 0.00 0.00 175.35 175.00 2kb6 s LYS 81 N 1.33 3.87 0.01 4.03 1.02 -1.26 0.42 119.74 129.16 2kb6 s LYS 81 Ca -0.01 -0.26 -0.07 0.00 0.02 0.00 0.00 55.97 55.65 2kb6 s LYS 81 Cb -0.17 -3.25 -0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2kb6 s LYS 81 CO -0.03 0.42 0.13 -1.12 -0.92 0.00 0.00 175.35 173.83 2kb6 s SER 82 N -0.02 0.04 -0.39 2.83 0.01 0.20 -5.00 113.70 111.38 2kb6 s SER 82 Ca 0.08 -0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2kb6 s SER 82 Cb -0.12 0.20 0.08 0.00 0.21 0.00 0.00 66.02 66.39 2kb6 s SER 82 CO 0.00 -0.38 0.20 -0.89 0.41 0.00 0.00 173.24 172.58 2kb6 s THR 83 N -1.47 3.80 0.18 1.44 2.01 -1.26 0.12 115.64 120.46 2kb6 s THR 83 Ca -0.14 -1.53 -0.15 0.00 0.31 0.00 0.00 61.69 60.18 2kb6 s THR 83 Cb -0.07 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2kb6 s THR 83 CO 0.01 -0.47 0.43 0.21 -0.69 0.00 0.00 174.62 174.12 2kb6 s ASN 84 N 1.87 -0.16 0.71 3.53 2.47 -0.74 -4.74 114.94 117.88 2kb6 s ASN 84 Ca 0.03 -0.59 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 2kb6 s ASN 84 Cb -0.22 0.52 0.02 0.00 -1.45 0.00 0.00 41.25 40.12 2kb6 s ASN 84 CO 0.00 -0.98 1.08 -0.54 -3.72 0.00 0.00 177.10 172.94 2kb6 s LYS 85 N -3.89 2.66 0.06 0.43 3.01 -1.26 -1.92 119.74 118.83 2kb6 s LYS 85 Ca 0.11 1.13 -0.08 0.00 -1.01 0.00 0.00 55.97 56.12 2kb6 s LYS 85 Cb 0.01 -1.95 -0.01 0.00 -1.01 0.00 0.00 37.83 34.87 2kb6 s LYS 85 CO -0.03 -1.33 0.15 -0.59 0.51 0.00 0.00 175.35 174.07 2kb6 s PHE 86 N -2.83 0.16 -0.19 3.18 -0.12 -1.26 -1.63 117.98 115.29 2kb6 s PHE 86 Ca 0.61 -0.52 -0.05 0.00 -0.05 0.00 0.00 56.93 56.92 2kb6 s PHE 86 Cb -0.16 -0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 2kb6 s PHE 86 CO 0.52 -0.46 -0.00 0.00 -0.05 0.00 0.00 175.22 175.22 2kb6 s ALA 87 N -3.25 3.03 0.15 1.99 0.00 0.10 -0.34 121.76 123.44 2kb6 s ALA 87 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2kb6 s ALA 87 Cb 0.02 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 2kb6 s ALA 87 CO -0.08 -0.10 -0.10 0.14 0.00 0.00 0.00 175.76 175.62 2kb6 s VAL 88 N 0.91 1.18 -0.25 0.00 -7.23 -0.96 -1.25 120.40 112.80 2kb6 s VAL 88 Ca 0.01 -2.05 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2kb6 s VAL 88 Cb -0.14 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2kb6 s VAL 88 CO 0.02 -0.74 0.08 -0.89 -0.31 0.00 0.00 175.10 173.26 2kb6 s THR 89 N -3.29 4.41 0.00 5.32 2.01 -0.21 -1.85 115.64 122.04 2kb6 s THR 89 Ca 0.16 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2kb6 s THR 89 Cb 0.02 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2kb6 s THR 89 CO 0.01 0.33 -0.04 0.00 -0.69 0.00 0.00 174.62 174.23 2kb6 s GLU 91 N -1.49 0.16 -1.35 0.00 2.12 -0.33 -0.39 118.70 117.43 2kb6 s GLU 91 Ca 0.18 0.48 -0.00 0.00 0.36 0.00 0.00 54.97 55.99 2kb6 s GLU 91 Cb -0.11 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.13 2kb6 s GLU 91 CO 0.09 -0.17 0.02 0.09 -0.54 0.00 0.00 175.26 174.75 2kb6 n ASN 92 N 4.27 -4.74 -3.37 -1.70 5.03 0.54 -2.79 115.26 112.49 2kb6 n ASN 92 Ca -0.25 -0.02 -0.20 0.00 0.87 0.00 0.00 54.58 54.98 2kb6 n ASN 92 Cb 0.52 -3.86 0.08 0.00 -1.02 0.00 0.00 39.78 35.51 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 -2.55 -7.04 -3.72 3.52 6.02 0.34 -4.96 117.38 108.99 2kb6 n GLN 93 Ca -0.18 0.79 -0.12 0.00 -0.01 0.00 0.00 57.00 57.48 2kb6 n GLN 93 Cb 0.64 -5.69 -0.13 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 -3.32 -0.67 -0.73 -1.58 0.00 -1.12 -4.84 121.76 109.50 2kb6 s ALA 94 Ca 0.33 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 2kb6 s ALA 94 Cb -0.15 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 2kb6 s ALA 94 CO 0.69 -0.25 1.64 -1.25 0.00 0.00 0.00 175.76 176.59 2kb6 s PRO 95 N 1.39 2.89 0.00 0.00 0.04 -1.26 -1.19 135.00 136.88 2kb6 s PRO 95 Ca -0.09 0.04 0.17 0.00 0.04 0.00 0.00 61.00 61.17 2kb6 s PRO 95 Cb -0.10 -4.51 0.41 0.00 0.04 0.00 0.00 34.50 30.34 2kb6 s PRO 95 CO -0.10 -2.58 1.33 1.33 0.04 0.00 0.00 177.00 177.02 2kb6 n VAL 96 N 7.00 0.76 -3.77 -0.36 0.24 -0.55 -4.78 118.33 116.87 2kb6 n VAL 96 Ca 0.19 -0.88 -0.13 0.00 -2.04 0.00 0.00 64.34 61.48 2kb6 n VAL 96 Cb 0.50 0.71 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 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 -1.12 -0.29 -0.16 6.34 5.65 -1.14 -4.50 115.29 120.07 2kb6 s HIS 97 Ca 0.34 0.65 -0.02 0.00 0.25 0.00 0.00 55.06 56.27 2kb6 s HIS 97 Cb 0.18 0.11 -0.02 0.00 -1.18 0.00 0.00 32.58 31.67 2kb6 s HIS 97 CO 0.25 -0.24 -0.08 0.12 -0.65 0.00 0.00 174.74 174.14 2kb6 s PHE 98 N -0.32 2.92 -0.25 3.88 5.36 -1.26 -1.04 117.98 127.26 2kb6 s PHE 98 Ca -0.05 -0.62 -0.07 0.00 -0.96 0.00 0.00 56.93 55.24 2kb6 s PHE 98 Cb -0.03 -1.95 -0.16 0.00 -0.34 0.00 0.00 43.02 40.54 2kb6 s PHE 98 CO 0.02 -0.25 -0.18 0.28 -1.46 0.00 0.00 175.22 173.62 2kb6 n VAL 99 N 3.87 1.54 0.00 3.12 0.31 -0.38 -4.92 118.33 121.86 2kb6 n VAL 99 Ca -0.18 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2kb6 n VAL 99 Cb 0.52 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 1.76 4.15 3.89 2.92 0.00 -0.92 -4.98 105.19 112.01 2kb6 n GLY 100 Ca -0.47 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 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 4.85 0.00 1.61 -7.23 -1.26 0.02 120.40 116.38 2kb6 s VAL 101 Ca 0.00 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 2kb6 s VAL 101 Cb 0.00 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.13 2kb6 s VAL 101 CO 0.00 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.66 2kb6 n GLY 102 N -1.92 4.19 3.64 2.32 0.00 -0.65 -4.87 105.19 107.90 2kb6 n GLY 102 Ca 0.02 -1.58 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 0.00 -0.45 0.00 1.61 1.04 -1.26 -4.40 113.70 110.24 2kb6 s SER 103 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2kb6 s SER 103 Cb 0.00 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2kb6 s SER 103 CO 0.00 -0.15 0.00 0.00 0.98 0.00 0.00 173.24 174.07