#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 0.72 -0.44 1.24 2.91 -1.88 -1.22 115.95 117.29 2kb6 h TRP 3 Ca 0.00 -0.53 -0.10 0.00 1.13 0.00 0.00 58.89 59.39 2kb6 h TRP 3 Cb 0.00 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 2kb6 h TRP 3 CO 0.00 1.51 -0.13 1.25 -1.03 0.00 0.00 178.44 180.04 2kb6 h LEU 4 N 0.11 0.87 -0.27 0.65 5.85 -1.99 -2.95 115.31 117.57 2kb6 h LEU 4 Ca -0.26 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 2kb6 h LEU 4 Cb 2.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2kb6 h LEU 4 CO 0.21 1.05 -0.18 0.74 -0.34 0.00 0.00 178.44 179.92 2kb6 h THR 5 N 0.69 0.32 -0.21 1.05 2.02 -2.00 -2.94 112.91 111.84 2kb6 h THR 5 Ca 0.11 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.88 2kb6 h THR 5 Cb 0.68 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2kb6 h THR 5 CO 0.05 0.17 -0.21 0.15 0.37 0.00 0.00 175.52 176.05 2kb6 h PHE 6 N 0.00 0.42 -0.45 3.16 3.57 -1.06 -2.38 116.94 120.20 2kb6 h PHE 6 Ca -0.00 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2kb6 h PHE 6 Cb 1.04 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2kb6 h PHE 6 CO 0.00 0.57 -0.05 1.96 -2.23 0.00 0.00 178.31 178.57 2kb6 h GLN 7 N 0.35 0.82 -0.01 1.11 4.20 -1.36 0.29 115.11 120.52 2kb6 h GLN 7 Ca 0.06 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 2kb6 h GLN 7 Cb 0.57 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2kb6 h GLN 7 CO 0.04 0.90 -0.32 -0.22 -0.67 0.00 0.00 178.83 178.56 2kb6 h LYS 8 N 0.66 0.01 0.00 1.46 3.11 -1.47 0.31 116.57 120.66 2kb6 h LYS 8 Ca 0.12 -0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.70 2kb6 h LYS 8 Cb 0.56 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.74 2kb6 h LYS 8 CO 0.03 0.34 -2.15 1.63 -2.81 0.00 0.00 179.45 176.49 2kb6 n LYS 9 N -4.15 0.67 0.00 1.90 5.02 -0.93 -4.69 118.16 115.97 2kb6 n LYS 9 Ca -0.02 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2kb6 n LYS 9 Cb 0.37 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 2kb6 n LYS 9 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2kb6 n HIS 10 N -2.68 0.00 -3.94 2.13 8.25 0.10 -4.86 115.22 114.22 2kb6 n HIS 10 Ca -0.23 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.89 2kb6 n HIS 10 Cb 0.99 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.96 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 -0.32 2.83 -0.08 1.59 -1.09 0.11 0.44 121.20 124.68 2kb6 s ILE 11 Ca 0.00 -1.39 -0.08 0.00 -2.23 0.00 0.00 60.65 56.95 2kb6 s ILE 11 Cb 0.00 -2.61 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2kb6 s ILE 11 CO 0.00 -0.06 0.20 0.28 -1.23 0.00 0.00 174.94 174.13 2kb6 s THR 12 N 1.23 5.40 -1.11 2.92 -1.32 -0.45 -4.52 115.64 117.79 2kb6 s THR 12 Ca -0.05 0.31 0.26 0.00 -1.21 0.00 0.00 61.69 60.99 2kb6 s THR 12 Cb -0.19 -3.48 0.07 0.00 -1.51 0.00 0.00 72.50 67.39 2kb6 s THR 12 CO -0.02 0.58 1.50 -0.46 -2.21 0.00 0.00 174.62 174.00 2kb6 n ASN 13 N 1.83 0.52 -4.09 8.08 0.23 -1.26 -3.92 115.26 116.64 2kb6 n ASN 13 Ca -0.18 -0.27 -0.27 0.00 -0.53 0.00 0.00 54.58 53.34 2kb6 n ASN 13 Cb 0.54 0.16 -0.17 0.00 -2.08 0.00 0.00 39.78 38.23 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 -2.92 1.43 0.27 5.53 -1.32 -1.26 -5.01 115.64 112.36 2kb6 s THR 14 Ca 0.13 -0.66 0.10 0.00 -1.21 0.00 0.00 61.69 60.05 2kb6 s THR 14 Cb 0.18 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 2kb6 s THR 14 CO 0.66 0.42 1.61 0.08 -2.21 0.00 0.00 174.62 175.17 2kb6 h ARG 15 N 6.77 0.02 -2.14 7.08 0.11 -1.96 -3.28 114.38 120.99 2kb6 h ARG 15 Ca -0.28 -0.01 -0.67 0.00 0.10 0.00 0.00 59.98 59.12 2kb6 h ARG 15 Cb 1.20 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 32.07 2kb6 h ARG 15 CO 0.47 0.63 1.03 -0.25 0.10 0.00 0.00 179.97 181.95 2kb6 n ASP 16 N -3.81 7.19 -4.61 0.08 8.00 -1.26 -4.94 116.55 117.19 2kb6 n ASP 16 Ca -0.01 -3.45 -0.43 0.00 0.71 0.00 0.00 54.79 51.61 2kb6 n ASP 16 Cb 0.62 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.49 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 -3.21 4.50 -1.26 2.53 0.11 -1.24 -4.96 120.40 116.87 2kb6 s VAL 17 Ca 0.53 1.30 -0.15 0.00 -2.93 0.00 0.00 61.98 60.74 2kb6 s VAL 17 Cb 0.34 -4.41 0.13 0.00 -1.53 0.00 0.00 36.38 30.92 2kb6 s VAL 17 CO -0.25 -0.62 1.61 0.47 -3.33 0.00 0.00 175.10 172.98 2kb6 n ASP 18 N 7.00 5.06 -0.18 3.54 8.00 -1.26 -4.81 116.55 133.91 2kb6 n ASP 18 Ca 0.09 -2.96 0.15 0.00 0.71 0.00 0.00 54.79 52.78 2kb6 n ASP 18 Cb 0.48 -1.63 0.49 0.00 -0.02 0.00 0.00 41.12 40.44 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 0.45 0.00 0.42 0.00 3.58 -1.87 0.45 116.42 119.44 2kb6 h ASP 20 Ca 0.38 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.52 2kb6 h ASP 20 Cb 0.83 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 2kb6 h ASP 20 CO -0.13 0.00 -1.70 0.78 -2.88 0.00 0.00 179.24 175.31 2kb6 h ASN 21 N 0.00 0.19 0.51 2.28 -0.26 -0.91 -3.38 115.58 114.01 2kb6 h ASN 21 Ca 0.38 -0.37 -0.14 0.00 -0.56 0.00 0.00 56.30 55.61 2kb6 h ASN 21 Cb 1.64 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.82 2kb6 h ASN 21 CO -0.00 1.32 -0.64 -0.29 -1.06 0.00 0.00 177.43 176.76 2kb6 h ILE 22 N 0.03 1.43 0.00 2.81 2.10 -0.15 -3.33 117.51 120.41 2kb6 h ILE 22 Ca -0.30 -2.12 0.00 0.00 1.08 0.00 0.00 64.86 63.52 2kb6 h ILE 22 Cb 2.01 2.12 0.00 0.00 -1.09 0.00 0.00 36.82 39.85 2kb6 h ILE 22 CO 0.10 0.62 0.00 0.24 -1.08 0.00 0.00 178.15 178.03 2kb6 h MET 23 N 0.09 0.00 0.00 2.19 2.86 -0.49 0.11 114.93 119.68 2kb6 h MET 23 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kb6 h MET 23 Cb 1.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.80 2kb6 h MET 23 CO 0.09 0.00 0.00 0.45 1.06 0.00 0.00 176.91 178.51 2kb6 n SER 24 N -2.99 0.00 -4.75 1.22 2.88 -1.25 -1.06 113.62 107.67 2kb6 n SER 24 Ca -0.01 0.09 -0.40 0.00 -1.33 0.00 0.00 58.87 57.22 2kb6 n SER 24 Cb 0.18 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.24 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 -2.71 4.54 -0.93 2.46 2.01 0.38 -4.85 115.64 116.53 2kb6 s THR 25 Ca 0.22 1.82 0.08 0.00 0.31 0.00 0.00 61.69 64.12 2kb6 s THR 25 Cb 0.19 -4.20 0.07 0.00 0.01 0.00 0.00 72.50 68.56 2kb6 s THR 25 CO 0.45 0.39 1.24 -3.20 -0.69 0.00 0.00 174.62 172.82 2kb6 n ASN 26 N 2.46 0.06 -0.26 3.53 5.15 -1.26 -0.34 115.26 124.60 2kb6 n ASN 26 Ca -0.02 0.52 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 2kb6 n ASN 26 Cb 0.49 -0.53 0.13 0.00 -0.53 0.00 0.00 39.78 39.34 2kb6 n ASN 26 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2kb6 h LEU 27 N 0.00 0.59 0.05 1.20 6.46 -1.90 -3.13 115.31 118.58 2kb6 h LEU 27 Ca 0.00 0.04 -0.38 0.00 -0.12 0.00 0.00 57.88 57.42 2kb6 h LEU 27 Cb 0.11 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.91 2kb6 h LEU 27 CO 0.00 0.36 -2.27 0.49 -0.62 0.00 0.00 178.44 176.40 2kb6 n PHE 28 N -4.77 0.52 -3.59 1.25 3.01 -0.07 -4.99 117.46 108.82 2kb6 n PHE 28 Ca 0.11 0.11 -0.20 0.00 1.01 0.00 0.00 57.45 58.48 2kb6 n PHE 28 Cb 0.22 -1.07 0.05 0.00 -0.01 0.00 0.00 39.48 38.67 2kb6 n PHE 28 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2kb6 n HIS 29 N -3.39 -2.02 -3.71 1.38 -0.00 0.54 -2.48 115.22 105.53 2kb6 n HIS 29 Ca -0.40 0.86 -0.31 0.00 0.46 0.00 0.00 57.72 58.33 2kb6 n HIS 29 Cb 1.01 -4.59 0.04 0.00 -0.12 0.00 0.00 29.99 26.32 2kb6 n HIS 29 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb6 s LYS 31 N -6.06 3.33 0.03 0.00 0.00 -1.04 -4.97 119.74 111.04 2kb6 s LYS 31 Ca 0.42 1.11 -0.18 0.00 0.00 0.00 0.00 55.97 57.32 2kb6 s LYS 31 Cb -0.15 -2.04 -0.22 0.00 0.00 0.00 0.00 37.83 35.42 2kb6 s LYS 31 CO 0.86 -0.79 1.16 -0.44 0.00 0.00 0.00 175.35 176.14 2kb6 h ASP 32 N 0.25 0.67 -3.81 0.03 3.32 -1.91 -3.45 116.42 111.52 2kb6 h ASP 32 Ca -0.46 -0.72 -0.09 0.00 0.02 0.00 0.00 57.03 55.77 2kb6 h ASP 32 Cb 1.21 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 2kb6 h ASP 32 CO 0.58 1.30 -0.13 -1.59 -1.72 0.00 0.00 179.24 177.68 2kb6 s LYS 33 N -3.36 0.58 -0.17 3.56 0.00 -1.25 -0.97 119.74 118.13 2kb6 s LYS 33 Ca -0.12 0.74 -0.04 0.00 0.00 0.00 0.00 55.97 56.55 2kb6 s LYS 33 Cb 0.05 0.25 0.09 0.00 0.00 0.00 0.00 37.83 38.22 2kb6 s LYS 33 CO 0.85 -0.08 0.28 1.21 0.00 0.00 0.00 175.35 177.61 2kb6 s ASN 34 N 0.44 0.56 -0.51 0.03 2.47 -1.09 -4.97 114.94 111.87 2kb6 s ASN 34 Ca -0.01 0.34 -0.19 0.00 0.42 0.00 0.00 52.86 53.42 2kb6 s ASN 34 Cb -0.04 0.74 0.06 0.00 -1.45 0.00 0.00 41.25 40.56 2kb6 s ASN 34 CO -0.02 -0.27 0.61 -0.89 -3.72 0.00 0.00 177.10 172.81 2kb6 s THR 35 N 2.43 4.91 -0.04 -5.21 2.01 -1.26 -2.54 115.64 115.93 2kb6 s THR 35 Ca 0.05 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 2kb6 s THR 35 Cb -0.14 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2kb6 s THR 35 CO -0.11 -0.81 0.23 0.72 -0.69 0.00 0.00 174.62 173.95 2kb6 s PHE 36 N 2.53 3.60 -0.30 4.92 -0.12 -0.92 -4.92 117.98 122.76 2kb6 s PHE 36 Ca 0.14 0.58 -0.17 0.00 -0.05 0.00 0.00 56.93 57.42 2kb6 s PHE 36 Cb -0.20 -1.98 -0.02 0.00 -0.63 0.00 0.00 43.02 40.19 2kb6 s PHE 36 CO 0.11 0.67 0.47 0.42 -0.05 0.00 0.00 175.22 176.84 2kb6 s ILE 37 N -1.18 5.08 -0.83 -4.49 1.01 0.17 -2.10 121.20 118.86 2kb6 s ILE 37 Ca 0.22 0.54 -0.20 0.00 0.00 0.00 0.00 60.65 61.22 2kb6 s ILE 37 Cb -0.13 -3.85 0.11 0.00 0.01 0.00 0.00 42.46 38.59 2kb6 s ILE 37 CO 0.12 -0.03 1.06 -0.47 0.00 0.00 0.00 174.94 175.61 2kb6 s TYR 38 N 2.27 2.96 0.36 3.97 5.04 0.51 -1.34 117.35 131.12 2kb6 s TYR 38 Ca 0.18 -1.09 -0.12 0.00 -2.44 0.00 0.00 57.07 53.60 2kb6 s TYR 38 Cb -0.16 -4.28 0.04 0.00 0.35 0.00 0.00 41.96 37.91 2kb6 s TYR 38 CO 0.11 -1.54 0.69 -1.12 -1.34 0.00 0.00 175.55 172.35 2kb6 s SER 39 N 3.68 0.22 0.59 4.32 0.01 -1.25 -4.22 113.70 117.06 2kb6 s SER 39 Ca 0.28 -1.18 -0.14 0.00 1.31 0.00 0.00 55.95 56.21 2kb6 s SER 39 Cb -0.10 0.78 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2kb6 s SER 39 CO -0.02 -1.54 1.04 -0.13 0.41 0.00 0.00 173.24 173.00 2kb6 s ARG 40 N -2.71 3.45 0.37 12.44 0.52 -1.26 -4.78 118.95 126.97 2kb6 s ARG 40 Ca 0.19 1.04 0.12 0.00 -0.52 0.00 0.00 55.73 56.56 2kb6 s ARG 40 Cb -0.04 -2.06 0.71 0.00 0.52 0.00 0.00 34.95 34.09 2kb6 s ARG 40 CO 0.13 -0.69 1.82 -1.00 0.02 0.00 0.00 175.30 175.58 2kb6 h PRO 41 N 0.26 0.02 0.61 3.54 0.13 -1.99 -3.29 132.00 131.28 2kb6 h PRO 41 Ca -0.46 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2kb6 h PRO 41 Cb 1.21 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2kb6 h PRO 41 CO 0.59 0.38 -0.40 0.93 -0.23 0.00 0.00 178.00 179.27 2kb6 h GLU 42 N 0.02 -0.93 -0.27 0.86 3.07 -1.99 -0.51 114.58 114.83 2kb6 h GLU 42 Ca -0.00 0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 2kb6 h GLU 42 Cb 0.65 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2kb6 h GLU 42 CO 0.05 -0.62 0.18 -1.00 -1.40 0.00 0.00 179.01 176.22 2kb6 h PRO 43 N -0.96 0.21 -0.19 2.33 0.13 -1.98 0.01 132.00 131.55 2kb6 h PRO 43 Ca -0.07 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 2kb6 h PRO 43 Cb 0.79 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 2kb6 h PRO 43 CO 0.06 0.14 -0.05 0.28 -0.23 0.00 0.00 178.00 178.19 2kb6 h VAL 44 N 0.22 1.29 0.00 1.56 2.07 -1.53 -2.77 116.25 117.08 2kb6 h VAL 44 Ca 0.11 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 2kb6 h VAL 44 Cb 0.18 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2kb6 h VAL 44 CO -0.02 0.31 -0.19 0.50 0.02 0.00 0.00 177.57 178.20 2kb6 h LYS 45 N 0.07 0.00 0.00 1.57 3.64 -0.38 -2.33 116.57 119.15 2kb6 h LYS 45 Ca 0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2kb6 h LYS 45 Cb 0.51 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2kb6 h LYS 45 CO 0.02 0.19 -0.03 0.00 -2.27 0.00 0.00 179.45 177.36 2kb6 h ALA 46 N 1.81 1.14 0.00 5.00 0.00 -0.73 0.42 119.26 126.91 2kb6 h ALA 46 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2kb6 h ALA 46 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kb6 h ALA 46 CO 0.02 0.04 -0.18 0.82 0.00 0.00 0.00 179.25 179.96 2kb6 h ILE 47 N 0.00 1.13 -0.24 0.00 2.04 -1.38 -2.39 117.51 116.66 2kb6 h ILE 47 Ca -0.00 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2kb6 h ILE 47 Cb 0.19 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2kb6 h ILE 47 CO 0.00 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.33 2kb6 s LYS 49 N -1.72 3.50 0.00 0.00 2.20 -0.90 -0.96 119.74 121.86 2kb6 s LYS 49 Ca 0.23 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2kb6 s LYS 49 Cb 0.17 -4.21 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 2kb6 s LYS 49 CO 0.07 -1.66 0.00 0.41 -0.36 0.00 0.00 175.35 173.80 2kb6 n GLY 50 N 5.21 0.84 3.52 5.54 0.00 -1.26 -5.01 105.19 114.03 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 -3.01 4.49 -0.23 -0.61 1.01 -0.13 -4.85 121.20 117.88 2kb6 s ILE 51 Ca 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.80 2kb6 s ILE 51 Cb 0.00 -4.47 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 2kb6 s ILE 51 CO 0.00 -0.98 -0.33 0.00 0.00 0.00 0.00 174.94 173.62 2kb6 n ILE 52 N 6.16 1.45 -1.54 2.92 0.13 -1.26 0.88 119.36 128.10 2kb6 n ILE 52 Ca 0.02 -0.20 -0.31 0.00 -1.10 0.00 0.00 62.75 61.16 2kb6 n ILE 52 Cb 0.48 -2.00 0.05 0.00 -0.84 0.00 0.00 39.64 37.33 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 -2.59 2.64 -0.57 1.51 0.00 -1.26 -0.57 121.76 120.91 2kb6 s ALA 53 Ca -0.33 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 2kb6 s ALA 53 Cb 0.11 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2kb6 s ALA 53 CO 0.44 -1.28 1.44 -1.12 0.00 0.00 0.00 175.76 175.24 2kb6 s SER 54 N -3.73 6.07 0.01 0.00 0.01 -1.26 -4.45 113.70 110.36 2kb6 s SER 54 Ca 0.58 0.25 -0.01 0.00 1.31 0.00 0.00 55.95 58.09 2kb6 s SER 54 Cb -0.14 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 2kb6 s SER 54 CO 0.55 -1.76 0.01 -1.59 0.41 0.00 0.00 173.24 170.86 2kb6 s LYS 55 N 5.62 0.22 0.01 12.44 0.00 -1.06 -4.99 119.74 131.98 2kb6 s LYS 55 Ca 0.52 -0.35 -0.25 0.00 0.00 0.00 0.00 55.97 55.89 2kb6 s LYS 55 Cb -0.11 0.08 -0.05 0.00 0.00 0.00 0.00 37.83 37.76 2kb6 s LYS 55 CO 0.24 -0.04 0.78 1.21 0.00 0.00 0.00 175.35 177.54 2kb6 s ASN 56 N -0.89 7.17 -0.02 0.03 2.47 -1.26 -1.81 114.94 120.63 2kb6 s ASN 56 Ca -0.10 1.41 0.03 0.00 0.42 0.00 0.00 52.86 54.62 2kb6 s ASN 56 Cb -0.06 -2.47 -0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2kb6 s ASN 56 CO -0.00 -0.07 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.52 2kb6 s VAL 57 N 0.36 0.82 -0.05 -5.21 1.01 0.64 -4.94 120.40 113.03 2kb6 s VAL 57 Ca 0.40 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 2kb6 s VAL 57 Cb -0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2kb6 s VAL 57 CO 0.22 0.24 0.65 -0.76 0.00 0.00 0.00 175.10 175.46 2kb6 s LEU 58 N -0.06 4.34 0.21 3.92 1.43 -1.26 -0.93 118.68 126.33 2kb6 s LEU 58 Ca 0.01 1.15 -0.32 0.00 -1.03 0.00 0.00 54.13 53.94 2kb6 s LEU 58 Cb -0.06 -3.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.01 2kb6 s LEU 58 CO 0.00 -0.05 1.31 0.41 0.23 0.00 0.00 176.35 178.26 2kb6 n THR 59 N 3.48 0.89 0.69 5.49 -1.04 0.15 -4.88 114.28 119.06 2kb6 n THR 59 Ca -0.03 -0.22 0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2kb6 n THR 59 Cb 0.51 -1.21 0.37 0.00 -1.82 0.00 0.00 70.33 68.18 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 1.79 0.41 -4.66 12.58 -1.04 -1.26 -4.66 114.28 117.43 2kb6 n THR 60 Ca 0.13 -0.22 -0.30 0.00 -2.04 0.00 0.00 64.05 61.62 2kb6 n THR 60 Cb 0.28 -0.41 -0.10 0.00 -1.82 0.00 0.00 70.33 68.29 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 -4.13 3.98 -0.21 8.00 0.01 -1.26 -5.10 113.70 114.98 2kb6 s SER 61 Ca 0.10 -1.47 -0.03 0.00 1.31 0.00 0.00 55.95 55.86 2kb6 s SER 61 Cb 0.14 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.31 2kb6 s SER 61 CO 0.62 -0.60 -0.07 -1.61 0.41 0.00 0.00 173.24 171.99 2kb6 s GLU 62 N -3.78 3.29 0.43 12.44 2.02 -1.26 -4.03 118.70 127.81 2kb6 s GLU 62 Ca 0.24 -0.67 0.08 0.00 0.02 0.00 0.00 54.97 54.64 2kb6 s GLU 62 Cb 0.07 -2.92 0.01 0.00 0.10 0.00 0.00 34.13 31.38 2kb6 s GLU 62 CO 0.12 -0.20 0.52 -0.06 0.02 0.00 0.00 175.26 175.66 2kb6 s PHE 63 N 1.44 2.68 -0.62 1.61 0.40 0.48 -4.53 117.98 119.43 2kb6 s PHE 63 Ca 0.06 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.65 2kb6 s PHE 63 Cb -0.14 -2.30 0.03 0.00 0.51 0.00 0.00 43.02 41.11 2kb6 s PHE 63 CO -0.05 -0.38 1.27 0.71 0.70 0.00 0.00 175.22 177.47 2kb6 s TYR 64 N -2.41 2.43 -0.15 0.36 2.02 -1.26 -0.87 117.35 117.47 2kb6 s TYR 64 Ca 0.53 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 2kb6 s TYR 64 Cb -0.08 -4.52 0.01 0.00 -0.40 0.00 0.00 41.96 36.97 2kb6 s TYR 64 CO 0.32 -1.82 -0.19 -0.51 -1.57 0.00 0.00 175.55 171.78 2kb6 s LEU 65 N 5.47 2.26 -0.23 -1.29 1.43 0.88 -0.36 118.68 126.84 2kb6 s LEU 65 Ca 0.43 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 2kb6 s LEU 65 Cb -0.08 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2kb6 s LEU 65 CO 0.22 0.07 -0.04 -0.44 0.23 0.00 0.00 176.35 176.39 2kb6 s SER 66 N 0.90 4.36 -0.11 2.29 0.01 -0.89 -1.16 113.70 119.10 2kb6 s SER 66 Ca -0.04 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 2kb6 s SER 66 Cb -0.15 -1.73 -0.02 0.00 0.21 0.00 0.00 66.02 64.32 2kb6 s SER 66 CO -0.03 -0.06 -0.08 -0.62 0.41 0.00 0.00 173.24 172.86 2kb6 s ASP 67 N 1.45 4.45 -0.35 2.44 2.15 0.10 -2.17 116.67 124.73 2kb6 s ASP 67 Ca 0.04 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2kb6 s ASP 67 Cb -0.15 -1.48 0.09 0.00 -0.30 0.00 0.00 42.92 41.08 2kb6 s ASP 67 CO -0.03 0.24 0.09 0.00 -0.17 0.00 0.00 175.17 175.30 2kb6 s ASN 69 N 1.35 4.61 0.27 0.00 0.01 -1.26 -2.67 114.94 117.25 2kb6 s ASN 69 Ca 0.05 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.58 2kb6 s ASN 69 Cb -0.21 -1.81 -0.13 0.00 0.41 0.00 0.00 41.25 39.51 2kb6 s ASN 69 CO -0.05 -0.03 1.35 0.55 -1.51 0.00 0.00 177.10 177.42 2kb6 n VAL 70 N 4.85 1.28 -1.53 1.60 3.14 -0.15 -4.37 118.33 123.15 2kb6 n VAL 70 Ca -0.17 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2kb6 n VAL 70 Cb 0.51 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 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 1.39 0.00 0.10 1.55 -2.24 -1.00 -4.98 114.28 109.12 2kb6 n THR 71 Ca 0.10 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 2kb6 n THR 71 Cb 0.33 -0.05 0.53 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.25 -3.26 3.42 0.02 -1.95 -3.42 113.55 108.61 2kb6 h SER 72 Ca 0.00 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 2kb6 h SER 72 Cb 0.00 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 2kb6 h SER 72 CO 0.00 0.18 -0.03 -0.13 -1.14 0.00 0.00 176.83 175.71 2kb6 s ARG 73 N -5.29 4.24 -0.07 3.45 0.52 -1.26 -5.01 118.95 115.53 2kb6 s ARG 73 Ca -0.07 0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 55.59 2kb6 s ARG 73 Cb 0.17 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.31 2kb6 s ARG 73 CO 0.71 0.56 1.90 -1.25 0.02 0.00 0.00 175.30 177.24 2kb6 s PRO 74 N -0.84 3.89 0.00 3.54 0.04 -1.26 -1.67 135.00 138.70 2kb6 s PRO 74 Ca 0.30 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2kb6 s PRO 74 Cb -0.19 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2kb6 s PRO 74 CO 0.19 -1.22 0.00 0.00 0.04 0.00 0.00 177.00 176.01 2kb6 s LYS 76 N -1.07 3.14 0.36 0.00 -0.14 -0.67 -5.03 119.74 116.33 2kb6 s LYS 76 Ca 0.00 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 53.84 2kb6 s LYS 76 Cb 0.00 -2.71 0.01 0.00 -1.68 0.00 0.00 37.83 33.45 2kb6 s LYS 76 CO 0.00 -0.17 0.50 1.52 -0.76 0.00 0.00 175.35 176.43 2kb6 s TYR 77 N 1.28 1.11 0.17 3.18 1.13 -1.26 -2.36 117.35 120.60 2kb6 s TYR 77 Ca 0.04 -1.34 0.10 0.00 -1.41 0.00 0.00 57.07 54.46 2kb6 s TYR 77 Cb -0.14 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2kb6 s TYR 77 CO -0.08 -1.18 -0.18 -1.59 -2.51 0.00 0.00 175.55 170.01 2kb6 s LYS 78 N -2.89 1.75 0.00 -3.49 -2.85 -1.26 -4.81 119.74 106.19 2kb6 s LYS 78 Ca 0.31 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.62 2kb6 s LYS 78 Cb -0.01 -2.01 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 2kb6 s LYS 78 CO 0.22 0.43 1.02 -1.17 0.10 0.00 0.00 175.35 175.95 2kb6 s LEU 79 N -2.58 4.36 -0.39 2.77 2.96 -1.26 -4.19 118.68 120.35 2kb6 s LEU 79 Ca 0.21 1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 55.77 2kb6 s LEU 79 Cb -0.09 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.10 2kb6 s LEU 79 CO 0.11 -0.31 0.20 -0.75 -1.32 0.00 0.00 176.35 174.28 2kb6 s LYS 80 N 1.09 2.49 -0.12 1.98 2.20 -0.03 -4.97 119.74 122.39 2kb6 s LYS 80 Ca 0.53 -1.45 -0.17 0.00 -0.36 0.00 0.00 55.97 54.52 2kb6 s LYS 80 Cb -0.22 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2kb6 s LYS 80 CO 0.28 -0.89 0.45 0.15 -0.36 0.00 0.00 175.35 174.97 2kb6 s LYS 81 N 1.36 4.30 0.07 4.03 1.02 -1.26 0.03 119.74 129.28 2kb6 s LYS 81 Ca 0.02 0.40 -0.21 0.00 0.02 0.00 0.00 55.97 56.20 2kb6 s LYS 81 Cb -0.22 -3.42 0.05 0.00 -0.52 0.00 0.00 37.83 33.72 2kb6 s LYS 81 CO 0.01 0.20 0.50 -1.12 -0.92 0.00 0.00 175.35 174.03 2kb6 s SER 82 N 0.49 -0.41 -0.40 2.83 0.01 -0.31 -5.01 113.70 110.90 2kb6 s SER 82 Ca 0.25 0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.52 2kb6 s SER 82 Cb -0.15 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.65 2kb6 s SER 82 CO 0.10 -0.75 0.21 -0.89 0.41 0.00 0.00 173.24 172.32 2kb6 s THR 83 N -2.72 3.89 0.15 1.44 2.01 -1.26 -0.08 115.64 119.07 2kb6 s THR 83 Ca -0.04 -1.50 -0.08 0.00 0.31 0.00 0.00 61.69 60.39 2kb6 s THR 83 Cb -0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2kb6 s THR 83 CO -0.04 -0.48 0.23 0.21 -0.69 0.00 0.00 174.62 173.86 2kb6 s ASN 84 N 1.92 0.10 0.49 3.53 2.47 -0.05 -4.73 114.94 118.67 2kb6 s ASN 84 Ca 0.03 -0.90 -0.11 0.00 0.42 0.00 0.00 52.86 52.29 2kb6 s ASN 84 Cb -0.22 0.40 -0.06 0.00 -1.45 0.00 0.00 41.25 39.92 2kb6 s ASN 84 CO 0.01 -0.85 0.89 -1.59 -3.72 0.00 0.00 177.10 171.84 2kb6 s LYS 85 N -3.97 3.75 0.11 0.43 -2.85 -1.26 -0.39 119.74 115.56 2kb6 s LYS 85 Ca 0.17 0.61 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 2kb6 s LYS 85 Cb 0.04 -2.25 -0.04 0.00 -2.06 0.00 0.00 37.83 33.52 2kb6 s LYS 85 CO -0.01 -0.24 -0.01 -0.59 0.10 0.00 0.00 175.35 174.60 2kb6 s PHE 86 N -2.68 0.85 -0.20 1.78 -0.71 -1.26 -4.04 117.98 111.72 2kb6 s PHE 86 Ca 0.53 -1.06 -0.05 0.00 -1.04 0.00 0.00 56.93 55.31 2kb6 s PHE 86 Cb -0.10 -0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 41.17 2kb6 s PHE 86 CO 0.39 -0.32 -0.01 0.00 -1.34 0.00 0.00 175.22 173.93 2kb6 s ALA 87 N -3.82 2.98 0.03 1.99 0.00 -0.55 0.34 121.76 122.73 2kb6 s ALA 87 Ca 0.16 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.17 2kb6 s ALA 87 Cb 0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2kb6 s ALA 87 CO -0.03 -0.16 -0.15 0.14 0.00 0.00 0.00 175.76 175.56 2kb6 s VAL 88 N 1.03 1.18 -0.26 0.00 -7.23 -0.10 -0.20 120.40 114.82 2kb6 s VAL 88 Ca 0.02 -0.93 -0.13 0.00 -1.81 0.00 0.00 61.98 59.13 2kb6 s VAL 88 Cb -0.14 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2kb6 s VAL 88 CO 0.01 0.10 0.26 -0.89 -0.31 0.00 0.00 175.10 174.28 2kb6 s THR 89 N -0.72 5.27 0.00 5.32 2.01 -0.07 -0.26 115.64 127.19 2kb6 s THR 89 Ca 0.03 0.35 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2kb6 s THR 89 Cb -0.07 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2kb6 s THR 89 CO 0.01 0.24 -0.14 0.00 -0.69 0.00 0.00 174.62 174.04 2kb6 s GLU 91 N -1.20 -0.01 -1.61 0.00 2.12 -0.80 -2.57 118.70 114.63 2kb6 s GLU 91 Ca 0.14 0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 2kb6 s GLU 91 Cb -0.11 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.16 2kb6 s GLU 91 CO 0.04 -0.09 0.08 0.09 -0.54 0.00 0.00 175.26 174.85 2kb6 n ASN 92 N 3.65 -5.56 -3.44 -1.70 5.03 0.27 -2.36 115.26 111.13 2kb6 n ASN 92 Ca -0.20 -0.05 -0.22 0.00 0.87 0.00 0.00 54.58 54.98 2kb6 n ASN 92 Cb 0.55 -4.58 0.08 0.00 -1.02 0.00 0.00 39.78 34.81 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 -2.97 -7.44 -3.72 3.52 6.02 0.26 -4.97 117.38 108.07 2kb6 n GLN 93 Ca -0.21 0.80 -0.15 0.00 -0.01 0.00 0.00 57.00 57.43 2kb6 n GLN 93 Cb 0.66 -5.74 -0.15 0.00 1.02 0.00 0.00 30.24 26.04 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 -3.31 -0.20 -0.81 -1.58 0.00 -1.00 -4.83 121.76 110.04 2kb6 s ALA 94 Ca 0.47 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 2kb6 s ALA 94 Cb -0.21 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.38 2kb6 s ALA 94 CO 0.70 -0.30 1.30 -1.25 0.00 0.00 0.00 175.76 176.21 2kb6 s PRO 95 N 1.59 3.29 0.00 0.00 0.04 -1.26 -1.90 135.00 136.75 2kb6 s PRO 95 Ca -0.05 -0.50 0.24 0.00 0.04 0.00 0.00 61.00 60.73 2kb6 s PRO 95 Cb -0.12 -4.48 0.35 0.00 0.04 0.00 0.00 34.50 30.29 2kb6 s PRO 95 CO -0.06 -2.14 1.35 1.33 0.04 0.00 0.00 177.00 177.52 2kb6 n VAL 96 N 6.46 0.14 -3.76 -0.36 0.24 -1.03 -4.70 118.33 115.33 2kb6 n VAL 96 Ca 0.10 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 2kb6 n VAL 96 Cb 0.49 1.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.98 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 -1.86 -0.30 -0.25 6.34 5.65 -1.23 -4.39 115.29 119.26 2kb6 s HIS 97 Ca 0.32 0.72 -0.09 0.00 0.25 0.00 0.00 55.06 56.26 2kb6 s HIS 97 Cb 0.21 0.07 -0.04 0.00 -1.18 0.00 0.00 32.58 31.63 2kb6 s HIS 97 CO 0.31 -0.18 0.12 0.12 -0.65 0.00 0.00 174.74 174.45 2kb6 s PHE 98 N 0.75 3.18 -0.15 3.88 5.36 -1.26 -0.89 117.98 128.85 2kb6 s PHE 98 Ca -0.05 -0.09 -0.11 0.00 -0.96 0.00 0.00 56.93 55.72 2kb6 s PHE 98 Cb -0.06 -2.26 -0.24 0.00 -0.34 0.00 0.00 43.02 40.11 2kb6 s PHE 98 CO -0.05 -0.16 0.32 0.28 -1.46 0.00 0.00 175.22 174.15 2kb6 n VAL 99 N 4.68 1.71 0.00 3.12 0.31 0.72 -4.98 118.33 123.89 2kb6 n VAL 99 Ca -0.15 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 2kb6 n VAL 99 Cb 0.52 -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 1.83 3.75 3.75 2.92 0.00 -1.16 -5.00 105.19 111.27 2kb6 n GLY 100 Ca -0.32 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 4.08 0.00 1.61 -7.23 -1.26 -1.48 120.40 114.11 2kb6 s VAL 101 Ca 0.00 2.06 0.00 0.00 -1.81 0.00 0.00 61.98 62.23 2kb6 s VAL 101 Cb 0.00 -4.31 0.00 0.00 0.56 0.00 0.00 36.38 32.63 2kb6 s VAL 101 CO 0.00 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 2kb6 n GLY 102 N 1.54 4.43 3.54 2.32 0.00 -1.26 -4.97 105.19 110.79 2kb6 n GLY 102 Ca -0.02 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 0.54 0.00 1.61 1.04 -1.26 -4.76 113.70 110.87 2kb6 s SER 103 Ca 0.00 -1.31 0.07 0.00 0.48 0.00 0.00 55.95 55.19 2kb6 s SER 103 Cb 0.00 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.83 2kb6 s SER 103 CO 0.00 -1.28 0.72 0.00 0.98 0.00 0.00 173.24 173.66