#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 0.53 0.02 2.11 2.91 -1.91 0.64 115.95 120.25 2kb6 h TRP 3 Ca 0.00 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.97 2kb6 h TRP 3 Cb 0.00 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 28.49 2kb6 h TRP 3 CO 0.00 0.07 -0.34 1.25 -1.03 0.00 0.00 178.44 178.40 2kb6 h LEU 4 N 0.34 0.07 0.00 0.65 5.85 -2.02 -3.36 115.31 116.83 2kb6 h LEU 4 Ca 0.55 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2kb6 h LEU 4 Cb 1.51 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2kb6 h LEU 4 CO -0.22 1.14 -0.30 0.74 -0.34 0.00 0.00 178.44 179.46 2kb6 h THR 5 N -0.90 0.00 0.00 1.05 2.02 -1.80 -3.06 112.91 110.21 2kb6 h THR 5 Ca -0.08 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2kb6 h THR 5 Cb 1.15 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2kb6 h THR 5 CO -0.01 0.00 -0.08 0.15 0.37 0.00 0.00 175.52 175.95 2kb6 h PHE 6 N 0.00 0.00 0.00 3.16 3.57 0.10 -0.58 116.94 123.19 2kb6 h PHE 6 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2kb6 h PHE 6 Cb 0.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2kb6 h PHE 6 CO 0.00 0.08 -0.44 1.96 -2.23 0.00 0.00 178.31 177.68 2kb6 h GLN 7 N 0.00 0.00 -0.00 1.11 4.20 -1.68 0.24 115.11 118.98 2kb6 h GLN 7 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2kb6 h GLN 7 Cb 0.16 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2kb6 h GLN 7 CO 0.01 0.44 -0.71 -0.22 -0.67 0.00 0.00 178.83 177.68 2kb6 h LYS 8 N 0.00 0.02 0.02 1.46 3.11 -1.24 -1.93 116.57 118.01 2kb6 h LYS 8 Ca -0.00 -0.01 -0.36 0.00 -2.81 0.00 0.00 60.65 57.46 2kb6 h LYS 8 Cb 0.79 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.96 2kb6 h LYS 8 CO 0.06 0.71 -2.22 1.17 -2.81 0.00 0.00 179.45 176.37 2kb6 n LYS 9 N -3.71 0.68 0.00 1.90 4.81 -1.02 -4.71 118.16 116.10 2kb6 n LYS 9 Ca -0.01 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2kb6 n LYS 9 Cb 0.69 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.13 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 -3.07 0.00 -3.99 5.64 8.25 0.81 -4.91 115.22 117.94 2kb6 n HIS 10 Ca -0.33 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.78 2kb6 n HIS 10 Cb 1.07 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 32.07 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 -0.43 4.51 -0.13 1.59 -1.09 -0.72 -0.01 121.20 124.92 2kb6 s ILE 11 Ca 0.00 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.32 2kb6 s ILE 11 Cb 0.00 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 2kb6 s ILE 11 CO 0.00 0.42 -0.20 0.28 -1.23 0.00 0.00 174.94 174.21 2kb6 s THR 12 N 0.77 2.32 -1.10 2.92 -1.32 -0.19 -4.56 115.64 114.48 2kb6 s THR 12 Ca 0.03 -0.91 0.27 0.00 -1.21 0.00 0.00 61.69 59.87 2kb6 s THR 12 Cb -0.14 -1.93 0.16 0.00 -1.51 0.00 0.00 72.50 69.08 2kb6 s THR 12 CO 0.02 0.54 1.68 -0.46 -2.21 0.00 0.00 174.62 174.19 2kb6 n ASN 13 N 3.81 0.31 -4.30 8.08 0.23 -1.26 -3.68 115.26 118.45 2kb6 n ASN 13 Ca -0.19 -0.01 -0.32 0.00 -0.53 0.00 0.00 54.58 53.52 2kb6 n ASN 13 Cb 0.52 -0.09 -0.16 0.00 -2.08 0.00 0.00 39.78 37.98 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 2.51 0.21 5.53 -1.32 -1.26 -5.00 115.64 113.39 2kb6 s THR 14 Ca 0.15 -0.86 0.02 0.00 -1.21 0.00 0.00 61.69 59.78 2kb6 s THR 14 Cb 0.18 -2.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.11 2kb6 s THR 14 CO 0.60 0.55 1.50 0.03 -2.21 0.00 0.00 174.62 175.09 2kb6 h ARG 15 N 6.60 0.32 -1.74 7.08 3.08 -1.99 -3.28 114.38 124.46 2kb6 h ARG 15 Ca -0.24 -0.24 -0.55 0.00 0.07 0.00 0.00 59.98 59.02 2kb6 h ARG 15 Cb 1.22 0.04 -0.21 0.00 0.08 0.00 0.00 29.97 31.10 2kb6 h ARG 15 CO 0.51 0.86 0.63 -0.25 -1.07 0.00 0.00 179.97 180.65 2kb6 n ASP 16 N -3.86 6.92 -4.63 7.04 9.92 -1.26 -4.95 116.55 125.73 2kb6 n ASP 16 Ca -0.03 -3.42 -0.43 0.00 -0.53 0.00 0.00 54.79 50.38 2kb6 n ASP 16 Cb 0.66 -1.12 -0.02 0.00 -0.64 0.00 0.00 41.12 40.00 2kb6 n ASP 16 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kb6 s VAL 17 N -3.32 4.10 -1.22 2.53 0.11 -1.24 -4.93 120.40 116.43 2kb6 s VAL 17 Ca 0.52 1.25 -0.20 0.00 -2.93 0.00 0.00 61.98 60.63 2kb6 s VAL 17 Cb 0.39 -4.10 0.04 0.00 -1.53 0.00 0.00 36.38 31.18 2kb6 s VAL 17 CO -0.19 -0.43 1.73 -0.62 -3.33 0.00 0.00 175.10 172.26 2kb6 s ASP 18 N 2.88 6.44 0.47 3.54 -1.08 -1.26 -4.74 116.67 122.93 2kb6 s ASP 18 Ca 0.58 -2.10 0.14 0.00 -0.52 0.00 0.00 52.55 50.65 2kb6 s ASP 18 Cb -0.18 -2.58 1.07 0.00 -1.46 0.00 0.00 42.92 39.78 2kb6 s ASP 18 CO 0.23 -1.58 2.04 0.00 0.52 0.00 0.00 175.17 176.38 2kb6 h ASP 20 N 0.02 -0.47 0.38 0.00 3.58 -1.90 -2.45 116.42 115.59 2kb6 h ASP 20 Ca 0.00 0.14 -0.32 0.00 0.42 0.00 0.00 57.03 57.28 2kb6 h ASP 20 Cb 0.21 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2kb6 h ASP 20 CO 0.01 -0.17 -1.73 0.78 -2.88 0.00 0.00 179.24 175.26 2kb6 h ASN 21 N -0.03 0.23 -0.51 2.28 2.35 -1.94 -3.38 115.58 114.59 2kb6 h ASN 21 Ca 0.21 -0.44 0.13 0.00 -0.55 0.00 0.00 56.30 55.64 2kb6 h ASN 21 Cb 0.35 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 2kb6 h ASN 21 CO -0.46 1.39 0.36 -0.29 -1.65 0.00 0.00 177.43 176.77 2kb6 h ILE 22 N 0.04 0.80 0.00 2.81 2.10 -1.09 -1.35 117.51 120.81 2kb6 h ILE 22 Ca -0.31 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.59 2kb6 h ILE 22 Cb 2.01 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 2kb6 h ILE 22 CO 0.11 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.20 2kb6 h MET 23 N 0.11 0.00 0.00 2.19 -0.00 -1.62 -0.00 114.93 115.61 2kb6 h MET 23 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 2kb6 h MET 23 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 2kb6 h MET 23 CO -0.03 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.31 2kb6 n SER 24 N -2.35 0.58 -4.77 -0.10 7.64 -0.51 -1.28 113.62 112.83 2kb6 n SER 24 Ca 0.00 0.68 -0.39 0.00 1.01 0.00 0.00 58.87 60.17 2kb6 n SER 24 Cb 0.14 -0.79 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 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 -3.35 4.72 0.66 0.44 2.01 -0.02 -4.89 115.64 115.22 2kb6 s THR 25 Ca 0.03 1.41 0.42 0.00 0.31 0.00 0.00 61.69 63.85 2kb6 s THR 25 Cb 0.08 -4.00 0.42 0.00 0.01 0.00 0.00 72.50 69.01 2kb6 s THR 25 CO 0.32 0.46 2.30 -1.13 -0.69 0.00 0.00 174.62 175.89 2kb6 h ASN 26 N 5.11 0.00 -0.81 3.53 -0.00 -1.87 0.33 115.58 121.87 2kb6 h ASN 26 Ca -0.46 0.00 0.14 0.00 -0.00 0.00 0.00 56.30 55.98 2kb6 h ASN 26 Cb 1.21 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 39.43 2kb6 h ASN 26 CO 0.68 0.00 0.39 0.25 -0.00 0.00 0.00 177.43 178.74 2kb6 h LEU 27 N 0.00 0.44 0.04 0.34 5.85 -1.90 -2.89 115.31 117.18 2kb6 h LEU 27 Ca 0.00 0.10 -0.37 0.00 0.84 0.00 0.00 57.88 58.45 2kb6 h LEU 27 Cb 0.11 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2kb6 h LEU 27 CO -0.00 0.18 -2.25 0.49 -0.34 0.00 0.00 178.44 176.52 2kb6 n PHE 28 N -4.92 0.46 -3.57 1.25 3.01 0.14 -5.01 117.46 108.83 2kb6 n PHE 28 Ca 0.16 0.11 -0.23 0.00 1.01 0.00 0.00 57.45 58.50 2kb6 n PHE 28 Cb 0.42 -1.07 0.08 0.00 -0.01 0.00 0.00 39.48 38.91 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 -3.22 -2.80 -3.48 1.38 -0.00 0.93 -2.40 115.22 105.62 2kb6 n HIS 29 Ca -0.37 1.00 -0.22 0.00 -0.00 0.00 0.00 57.72 58.13 2kb6 n HIS 29 Cb 1.04 -4.98 0.04 0.00 -0.00 0.00 0.00 29.99 26.09 2kb6 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb6 s LYS 31 N -5.02 3.64 0.14 0.00 0.00 -1.01 -4.97 119.74 112.52 2kb6 s LYS 31 Ca 0.36 1.13 -0.14 0.00 0.00 0.00 0.00 55.97 57.32 2kb6 s LYS 31 Cb -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 37.83 35.65 2kb6 s LYS 31 CO 0.81 -0.54 1.63 -0.44 0.00 0.00 0.00 175.35 176.82 2kb6 h ASP 32 N 0.81 0.68 -5.01 0.03 5.19 -1.90 -3.45 116.42 112.77 2kb6 h ASP 32 Ca -0.47 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 55.64 2kb6 h ASP 32 Cb 1.21 -0.18 -0.16 0.00 0.18 0.00 0.00 39.33 40.37 2kb6 h ASP 32 CO 0.59 0.75 0.07 -1.59 -3.12 0.00 0.00 179.24 175.94 2kb6 s LYS 33 N -5.27 1.06 -0.17 3.56 0.00 -1.25 -0.67 119.74 117.00 2kb6 s LYS 33 Ca -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 55.97 55.60 2kb6 s LYS 33 Cb 0.11 0.48 0.08 0.00 0.00 0.00 0.00 37.83 38.50 2kb6 s LYS 33 CO 0.78 -0.38 0.25 1.21 0.00 0.00 0.00 175.35 177.21 2kb6 s ASN 34 N -1.94 0.79 -0.88 0.03 2.47 -1.22 -4.96 114.94 109.23 2kb6 s ASN 34 Ca -0.05 0.21 -0.16 0.00 0.42 0.00 0.00 52.86 53.27 2kb6 s ASN 34 Cb -0.01 0.58 0.18 0.00 -1.45 0.00 0.00 41.25 40.56 2kb6 s ASN 34 CO -0.01 -0.28 0.92 -0.89 -3.72 0.00 0.00 177.10 173.12 2kb6 s THR 35 N 2.39 5.26 0.15 -5.21 2.01 -1.26 -3.37 115.64 115.60 2kb6 s THR 35 Ca 0.05 -2.12 -0.16 0.00 0.31 0.00 0.00 61.69 59.76 2kb6 s THR 35 Cb -0.14 -4.60 -0.07 0.00 0.01 0.00 0.00 72.50 67.70 2kb6 s THR 35 CO -0.10 -1.23 0.59 0.72 -0.69 0.00 0.00 174.62 173.90 2kb6 s PHE 36 N 1.18 3.66 -0.27 4.92 -0.12 -1.07 -4.90 117.98 121.37 2kb6 s PHE 36 Ca 0.24 1.17 -0.18 0.00 -0.05 0.00 0.00 56.93 58.11 2kb6 s PHE 36 Cb -0.08 -2.45 -0.02 0.00 -0.63 0.00 0.00 43.02 39.84 2kb6 s PHE 36 CO -0.09 0.45 0.52 0.42 -0.05 0.00 0.00 175.22 176.46 2kb6 s ILE 37 N -1.40 5.06 -0.84 -4.49 1.01 0.99 -2.37 121.20 119.16 2kb6 s ILE 37 Ca 0.37 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.62 2kb6 s ILE 37 Cb -0.16 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.54 2kb6 s ILE 37 CO 0.19 0.05 1.16 -0.47 0.00 0.00 0.00 174.94 175.87 2kb6 s TYR 38 N 2.33 2.76 0.36 3.97 5.04 0.28 -1.02 117.35 131.08 2kb6 s TYR 38 Ca 0.21 -0.86 -0.12 0.00 -2.44 0.00 0.00 57.07 53.86 2kb6 s TYR 38 Cb -0.16 -4.41 0.03 0.00 0.35 0.00 0.00 41.96 37.78 2kb6 s TYR 38 CO 0.10 -1.70 0.68 -1.12 -1.34 0.00 0.00 175.55 172.17 2kb6 s SER 39 N 3.94 0.26 0.56 4.32 0.01 -1.24 -4.21 113.70 117.34 2kb6 s SER 39 Ca 0.32 -1.21 -0.07 0.00 1.31 0.00 0.00 55.95 56.31 2kb6 s SER 39 Cb -0.08 0.78 -0.02 0.00 0.21 0.00 0.00 66.02 66.91 2kb6 s SER 39 CO -0.01 -1.53 0.90 -0.13 0.41 0.00 0.00 173.24 172.88 2kb6 s ARG 40 N -2.70 3.26 0.32 12.44 1.81 -1.26 -4.71 118.95 128.11 2kb6 s ARG 40 Ca 0.20 0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 54.45 2kb6 s ARG 40 Cb -0.04 -2.25 0.51 0.00 -0.45 0.00 0.00 34.95 32.72 2kb6 s ARG 40 CO 0.14 -0.52 1.95 -1.00 -0.68 0.00 0.00 175.30 175.19 2kb6 h PRO 41 N -0.09 0.92 0.14 3.54 0.13 -1.99 -3.19 132.00 131.45 2kb6 h PRO 41 Ca -0.46 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2kb6 h PRO 41 Cb 1.23 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kb6 h PRO 41 CO 0.62 0.66 -0.06 1.49 -0.23 0.00 0.00 178.00 180.47 2kb6 h GLU 42 N 0.94 -0.17 -0.71 0.86 4.81 -2.00 -0.76 114.58 117.54 2kb6 h GLU 42 Ca 0.24 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 2kb6 h GLU 42 Cb -0.02 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.36 2kb6 h GLU 42 CO -0.04 -0.00 0.47 -1.35 -0.73 0.00 0.00 179.01 177.35 2kb6 h PRO 43 N -0.31 0.60 -0.07 0.92 0.11 -1.97 -2.59 132.00 128.69 2kb6 h PRO 43 Ca -0.02 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 2kb6 h PRO 43 Cb 0.25 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 2kb6 h PRO 43 CO 0.03 0.40 -0.01 0.28 -0.21 0.00 0.00 178.00 178.48 2kb6 h VAL 44 N 0.62 1.29 -0.10 3.15 2.07 -1.32 -2.97 116.25 118.98 2kb6 h VAL 44 Ca 0.33 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2kb6 h VAL 44 Cb 0.46 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2kb6 h VAL 44 CO -0.11 0.25 0.07 0.50 0.02 0.00 0.00 177.57 178.30 2kb6 h LYS 45 N -0.21 0.00 -0.00 1.57 3.64 -0.92 -2.53 116.57 118.12 2kb6 h LYS 45 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2kb6 h LYS 45 Cb 0.40 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2kb6 h LYS 45 CO 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 179.45 177.19 2kb6 h ALA 46 N 1.95 1.20 0.00 5.00 0.00 -1.30 0.64 119.26 126.75 2kb6 h ALA 46 Ca 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kb6 h ALA 46 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kb6 h ALA 46 CO -0.00 -0.01 -0.35 0.82 0.00 0.00 0.00 179.25 179.71 2kb6 h ILE 47 N 0.00 1.13 -0.27 0.00 2.04 -1.59 -2.95 117.51 115.86 2kb6 h ILE 47 Ca 0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2kb6 h ILE 47 Cb 0.02 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2kb6 h ILE 47 CO -0.00 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.50 2kb6 s LYS 49 N -1.65 3.56 0.00 0.00 2.20 -1.12 -0.97 119.74 121.76 2kb6 s LYS 49 Ca 0.21 2.08 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 2kb6 s LYS 49 Cb 0.13 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 2kb6 s LYS 49 CO 0.11 -1.61 0.00 0.41 -0.36 0.00 0.00 175.35 173.90 2kb6 n GLY 50 N 5.18 0.41 3.52 5.54 0.00 -1.26 -5.03 105.19 113.55 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 -2.13 4.53 -0.26 -0.61 -1.09 -0.14 -4.87 121.20 116.63 2kb6 s ILE 51 Ca 0.00 0.21 -0.15 0.00 -2.23 0.00 0.00 60.65 58.49 2kb6 s ILE 51 Cb 0.00 -4.45 -0.11 0.00 -1.58 0.00 0.00 42.46 36.32 2kb6 s ILE 51 CO 0.00 -0.96 -0.35 0.00 -1.23 0.00 0.00 174.94 172.39 2kb6 n ILE 52 N 6.10 1.51 -1.50 2.92 0.13 -1.26 0.11 119.36 127.36 2kb6 n ILE 52 Ca 0.01 -0.29 -0.31 0.00 -1.10 0.00 0.00 62.75 61.05 2kb6 n ILE 52 Cb 0.47 -1.96 0.06 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 -2.57 2.46 -0.65 1.51 0.00 -1.26 0.02 121.76 121.27 2kb6 s ALA 53 Ca -0.37 0.27 -0.28 0.00 0.00 0.00 0.00 51.96 51.58 2kb6 s ALA 53 Cb 0.13 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 20.03 2kb6 s ALA 53 CO 0.47 -1.44 1.22 -1.54 0.00 0.00 0.00 175.76 174.47 2kb6 s SER 54 N -3.33 6.32 -0.04 0.00 1.04 -1.25 -4.23 113.70 112.21 2kb6 s SER 54 Ca 0.61 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.79 2kb6 s SER 54 Cb -0.17 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.42 2kb6 s SER 54 CO 0.52 -1.63 0.26 -1.59 0.98 0.00 0.00 173.24 171.78 2kb6 s LYS 55 N 5.26 0.50 0.18 4.02 0.00 -0.84 -4.96 119.74 123.89 2kb6 s LYS 55 Ca 0.39 -0.02 -0.30 0.00 0.00 0.00 0.00 55.97 56.04 2kb6 s LYS 55 Cb -0.08 0.22 -0.08 0.00 0.00 0.00 0.00 37.83 37.90 2kb6 s LYS 55 CO 0.21 -0.11 1.17 0.54 0.00 0.00 0.00 175.35 177.15 2kb6 s ASN 56 N -0.78 7.14 0.01 0.03 4.22 -1.26 -2.07 114.94 122.22 2kb6 s ASN 56 Ca -0.09 2.18 0.07 0.00 -2.14 0.00 0.00 52.86 52.89 2kb6 s ASN 56 Cb -0.05 -2.61 -0.02 0.00 1.28 0.00 0.00 41.25 39.86 2kb6 s ASN 56 CO 0.02 -0.33 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.85 2kb6 s VAL 57 N -0.08 1.71 -0.25 3.54 1.01 0.15 -4.94 120.40 121.54 2kb6 s VAL 57 Ca 0.52 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 2kb6 s VAL 57 Cb -0.32 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2kb6 s VAL 57 CO 0.36 0.38 0.23 -0.76 0.00 0.00 0.00 175.10 175.31 2kb6 s LEU 58 N -0.78 4.07 0.19 3.92 1.43 -1.26 -1.16 118.68 125.09 2kb6 s LEU 58 Ca 0.08 0.14 -0.32 0.00 -1.03 0.00 0.00 54.13 53.00 2kb6 s LEU 58 Cb -0.09 -2.21 -0.15 0.00 0.03 0.00 0.00 46.19 43.78 2kb6 s LEU 58 CO 0.00 -0.03 1.23 0.41 0.23 0.00 0.00 176.35 178.19 2kb6 n THR 59 N 4.70 0.88 0.18 5.49 -1.04 0.12 -4.90 114.28 119.71 2kb6 n THR 59 Ca -0.13 -0.22 0.12 0.00 -2.04 0.00 0.00 64.05 61.78 2kb6 n THR 59 Cb 0.52 -1.01 0.08 0.00 -1.82 0.00 0.00 70.33 68.10 2kb6 n THR 59 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 2kb6 h THR 60 N 2.78 0.00 -1.15 12.58 1.35 -1.97 -3.42 112.91 123.08 2kb6 h THR 60 Ca -0.44 -0.98 -0.63 0.00 -0.55 0.00 0.00 66.41 63.82 2kb6 h THR 60 Cb 1.33 1.69 -0.12 0.00 -1.73 0.00 0.00 68.15 69.32 2kb6 h THR 60 CO 0.72 0.00 -0.53 -0.94 -0.25 0.00 0.00 175.52 174.52 2kb6 s SER 61 N -5.67 4.12 -0.24 5.36 1.04 -1.26 -5.06 113.70 111.99 2kb6 s SER 61 Ca 0.03 -1.40 -0.09 0.00 0.48 0.00 0.00 55.95 54.97 2kb6 s SER 61 Cb 0.08 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2kb6 s SER 61 CO 0.73 -0.64 0.11 -1.83 0.98 0.00 0.00 173.24 172.59 2kb6 s GLU 62 N -3.84 3.88 0.34 4.02 -1.05 -1.26 -3.85 118.70 116.94 2kb6 s GLU 62 Ca 0.27 -0.37 0.07 0.00 -0.15 0.00 0.00 54.97 54.79 2kb6 s GLU 62 Cb 0.05 -3.42 -0.02 0.00 -0.44 0.00 0.00 34.13 30.30 2kb6 s GLU 62 CO 0.14 -0.03 0.34 -0.06 0.95 0.00 0.00 175.26 176.60 2kb6 s PHE 63 N 1.25 2.92 -0.62 4.83 0.40 0.28 -4.65 117.98 122.39 2kb6 s PHE 63 Ca 0.06 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 55.81 2kb6 s PHE 63 Cb -0.14 -1.88 0.03 0.00 0.51 0.00 0.00 43.02 41.54 2kb6 s PHE 63 CO 0.05 0.11 1.27 0.71 0.70 0.00 0.00 175.22 178.06 2kb6 s TYR 64 N -2.30 2.43 -0.09 0.36 2.02 -1.26 -1.19 117.35 117.33 2kb6 s TYR 64 Ca 0.43 0.30 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 2kb6 s TYR 64 Cb -0.06 -4.52 -0.01 0.00 -0.40 0.00 0.00 41.96 36.96 2kb6 s TYR 64 CO 0.28 -1.82 -0.18 -0.51 -1.57 0.00 0.00 175.55 171.75 2kb6 s LEU 65 N 5.47 2.47 -0.20 -1.29 1.43 0.36 -0.55 118.68 126.37 2kb6 s LEU 65 Ca 0.43 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2kb6 s LEU 65 Cb -0.08 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.64 2kb6 s LEU 65 CO 0.22 0.23 -0.13 -0.44 0.23 0.00 0.00 176.35 176.47 2kb6 s SER 66 N -0.07 3.66 -0.07 2.29 0.01 -1.00 -0.63 113.70 117.90 2kb6 s SER 66 Ca -0.04 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.74 2kb6 s SER 66 Cb -0.14 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.49 2kb6 s SER 66 CO 0.04 -0.00 -0.23 -0.62 0.41 0.00 0.00 173.24 172.83 2kb6 s ASP 67 N 1.35 2.92 -0.36 2.44 2.15 0.17 -2.60 116.67 122.73 2kb6 s ASP 67 Ca 0.05 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2kb6 s ASP 67 Cb -0.14 -1.01 0.10 0.00 -0.30 0.00 0.00 42.92 41.57 2kb6 s ASP 67 CO -0.08 0.20 0.10 0.00 -0.17 0.00 0.00 175.17 175.22 2kb6 s ASN 69 N 1.38 5.33 0.21 0.00 0.01 -1.26 -3.38 114.94 117.24 2kb6 s ASN 69 Ca 0.07 -0.16 -0.32 0.00 -0.71 0.00 0.00 52.86 51.74 2kb6 s ASN 69 Cb -0.21 -1.97 -0.12 0.00 0.41 0.00 0.00 41.25 39.36 2kb6 s ASN 69 CO -0.05 -0.03 1.65 0.55 -1.51 0.00 0.00 177.10 177.71 2kb6 n VAL 70 N 4.91 0.23 -1.71 1.60 3.14 0.15 -4.18 118.33 122.47 2kb6 n VAL 70 Ca -0.16 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 2kb6 n VAL 70 Cb 0.52 -1.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.44 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 3.42 0.00 0.31 1.55 -2.24 -0.59 -4.96 114.28 111.77 2kb6 n THR 71 Ca 0.15 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.13 2kb6 n THR 71 Cb 0.34 -0.23 1.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 -3.36 3.42 0.02 -1.94 -3.42 113.55 108.28 2kb6 h SER 72 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2kb6 h SER 72 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2kb6 h SER 72 CO 0.00 0.00 0.20 -0.13 -1.14 0.00 0.00 176.83 175.76 2kb6 s ARG 73 N -3.93 4.38 -0.20 3.45 0.52 -1.26 -4.97 118.95 116.95 2kb6 s ARG 73 Ca -0.03 0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 55.82 2kb6 s ARG 73 Cb 0.11 -3.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 2kb6 s ARG 73 CO 0.43 -0.08 2.18 -0.35 0.02 0.00 0.00 175.30 177.50 2kb6 n PRO 74 N 4.32 2.00 -0.88 3.54 -0.04 -1.26 -1.23 135.00 141.44 2kb6 n PRO 74 Ca 0.01 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2kb6 n PRO 74 Cb 0.50 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 2kb6 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb6 s LYS 76 N -0.82 2.56 0.36 0.00 -0.14 -0.37 -4.98 119.74 116.35 2kb6 s LYS 76 Ca 0.00 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.87 2kb6 s LYS 76 Cb 0.00 -2.53 -0.00 0.00 -1.68 0.00 0.00 37.83 33.62 2kb6 s LYS 76 CO 0.00 0.59 0.45 1.52 -0.76 0.00 0.00 175.35 177.15 2kb6 s TYR 77 N -1.09 1.26 0.05 3.18 -0.85 -1.26 -1.54 117.35 117.09 2kb6 s TYR 77 Ca 0.19 -1.41 0.07 0.00 -0.52 0.00 0.00 57.07 55.41 2kb6 s TYR 77 Cb -0.11 -0.21 -0.03 0.00 0.38 0.00 0.00 41.96 41.98 2kb6 s TYR 77 CO 0.10 -1.12 -0.19 0.15 -1.52 0.00 0.00 175.55 172.98 2kb6 s LYS 78 N -3.00 2.03 -0.33 -3.49 1.02 -1.26 -4.88 119.74 109.83 2kb6 s LYS 78 Ca 0.33 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 2kb6 s LYS 78 Cb -0.00 -2.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2kb6 s LYS 78 CO 0.23 0.53 1.40 -1.17 -0.92 0.00 0.00 175.35 175.43 2kb6 s LEU 79 N -1.47 3.77 -0.40 3.17 0.20 -1.26 -4.08 118.68 118.60 2kb6 s LEU 79 Ca 0.15 1.14 -0.07 0.00 0.69 0.00 0.00 54.13 56.04 2kb6 s LEU 79 Cb -0.10 -3.54 0.08 0.00 -0.43 0.00 0.00 46.19 42.20 2kb6 s LEU 79 CO 0.05 -1.25 0.21 -0.75 -0.29 0.00 0.00 176.35 174.33 2kb6 s LYS 80 N 4.56 2.45 -0.14 1.98 2.20 -0.20 -4.99 119.74 125.60 2kb6 s LYS 80 Ca 0.61 -1.51 -0.04 0.00 -0.36 0.00 0.00 55.97 54.66 2kb6 s LYS 80 Cb -0.17 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2kb6 s LYS 80 CO 0.28 -0.94 0.01 0.21 -0.36 0.00 0.00 175.35 174.55 2kb6 s LYS 81 N 1.34 3.57 0.31 4.03 2.20 -1.26 0.41 119.74 130.35 2kb6 s LYS 81 Ca 0.03 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 2kb6 s LYS 81 Cb -0.23 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2kb6 s LYS 81 CO 0.00 0.39 0.63 -1.12 -0.36 0.00 0.00 175.35 174.89 2kb6 s SER 82 N -0.02 0.10 -0.24 1.43 0.01 0.20 -5.01 113.70 110.18 2kb6 s SER 82 Ca 0.03 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.28 2kb6 s SER 82 Cb -0.13 0.71 0.05 0.00 0.21 0.00 0.00 66.02 66.87 2kb6 s SER 82 CO 0.02 -1.38 -0.11 -0.89 0.41 0.00 0.00 173.24 171.28 2kb6 s THR 83 N -3.30 2.01 0.21 1.44 2.01 -1.26 -0.48 115.64 116.26 2kb6 s THR 83 Ca 0.19 -1.42 -0.14 0.00 0.31 0.00 0.00 61.69 60.64 2kb6 s THR 83 Cb -0.03 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.39 2kb6 s THR 83 CO 0.11 0.06 0.45 0.21 -0.69 0.00 0.00 174.62 174.76 2kb6 s ASN 84 N 1.20 -0.13 0.50 3.53 2.47 -0.34 -4.78 114.94 117.39 2kb6 s ASN 84 Ca -0.06 -0.73 -0.06 0.00 0.42 0.00 0.00 52.86 52.44 2kb6 s ASN 84 Cb -0.18 0.55 -0.03 0.00 -1.45 0.00 0.00 41.25 40.13 2kb6 s ASN 84 CO -0.07 -1.05 0.81 -1.59 -3.72 0.00 0.00 177.10 171.49 2kb6 s LYS 85 N -3.94 3.52 0.28 0.43 -2.85 -1.25 -0.56 119.74 115.37 2kb6 s LYS 85 Ca 0.15 0.24 -0.02 0.00 -1.00 0.00 0.00 55.97 55.34 2kb6 s LYS 85 Cb 0.00 -2.35 -0.02 0.00 -2.06 0.00 0.00 37.83 33.41 2kb6 s LYS 85 CO 0.02 -0.26 0.33 -0.59 0.10 0.00 0.00 175.35 174.95 2kb6 s PHE 86 N -2.79 1.08 -0.11 1.78 -0.12 -1.26 -4.04 117.98 112.51 2kb6 s PHE 86 Ca 0.48 -1.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.12 2kb6 s PHE 86 Cb -0.10 -0.29 0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2kb6 s PHE 86 CO 0.46 -0.90 -0.22 0.00 -0.05 0.00 0.00 175.22 174.51 2kb6 s ALA 87 N -3.67 2.07 0.06 1.99 0.00 -0.37 0.16 121.76 121.99 2kb6 s ALA 87 Ca 0.33 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2kb6 s ALA 87 Cb 0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2kb6 s ALA 87 CO 0.17 0.15 -0.12 0.14 0.00 0.00 0.00 175.76 176.10 2kb6 s VAL 88 N 0.57 0.88 -0.25 0.00 -7.23 -0.31 0.04 120.40 114.11 2kb6 s VAL 88 Ca -0.14 -1.16 -0.18 0.00 -1.81 0.00 0.00 61.98 58.68 2kb6 s VAL 88 Cb -0.17 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.87 2kb6 s VAL 88 CO 0.04 -0.25 0.53 -0.89 -0.31 0.00 0.00 175.10 174.23 2kb6 s THR 89 N -1.24 5.06 -0.01 5.32 2.01 0.91 0.32 115.64 128.01 2kb6 s THR 89 Ca -0.04 0.94 0.04 0.00 0.31 0.00 0.00 61.69 62.93 2kb6 s THR 89 Cb -0.10 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2kb6 s THR 89 CO 0.01 0.09 -0.11 0.00 -0.69 0.00 0.00 174.62 173.92 2kb6 s GLU 91 N -1.18 0.12 -1.67 0.00 2.12 -0.53 -2.00 118.70 115.56 2kb6 s GLU 91 Ca 0.15 0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.64 2kb6 s GLU 91 Cb -0.11 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.31 2kb6 s GLU 91 CO 0.04 -0.03 0.00 0.09 -0.54 0.00 0.00 175.26 174.82 2kb6 n ASN 92 N 3.16 -5.51 -3.03 -1.70 5.03 0.10 -1.75 115.26 111.57 2kb6 n ASN 92 Ca -0.14 0.02 -0.22 0.00 0.87 0.00 0.00 54.58 55.10 2kb6 n ASN 92 Cb 0.58 -4.56 0.03 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 -2.81 -4.77 -4.19 3.52 6.02 0.29 -4.97 117.38 110.47 2kb6 n GLN 93 Ca -0.23 0.89 -0.20 0.00 -0.01 0.00 0.00 57.00 57.46 2kb6 n GLN 93 Cb 0.67 -5.75 -0.16 0.00 1.02 0.00 0.00 30.24 26.02 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 -3.17 0.67 -0.31 -1.58 0.00 -0.72 -4.72 121.76 111.93 2kb6 s ALA 94 Ca 0.30 -0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 2kb6 s ALA 94 Cb -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2kb6 s ALA 94 CO 0.38 0.01 1.23 -1.25 0.00 0.00 0.00 175.76 176.13 2kb6 s PRO 95 N 0.82 3.95 0.00 0.00 0.04 -1.26 -1.45 135.00 137.09 2kb6 s PRO 95 Ca -0.11 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2kb6 s PRO 95 Cb -0.14 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2kb6 s PRO 95 CO 0.00 -1.07 0.47 1.33 0.04 0.00 0.00 177.00 177.77 2kb6 n VAL 96 N 6.15 0.00 -3.80 -0.36 0.24 -0.57 -4.49 118.33 115.50 2kb6 n VAL 96 Ca 0.14 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.81 2kb6 n VAL 96 Cb 0.47 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.73 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 -0.08 -0.22 -0.15 6.34 5.65 -1.18 -4.45 115.29 121.20 2kb6 s HIS 97 Ca 0.00 0.51 -0.05 0.00 0.25 0.00 0.00 55.06 55.77 2kb6 s HIS 97 Cb 0.00 0.07 -0.03 0.00 -1.18 0.00 0.00 32.58 31.44 2kb6 s HIS 97 CO 0.00 -0.17 0.01 0.12 -0.65 0.00 0.00 174.74 174.05 2kb6 s PHE 98 N -0.20 3.14 -0.26 3.88 5.36 -1.26 -0.06 117.98 128.58 2kb6 s PHE 98 Ca -0.03 -0.04 -0.15 0.00 -0.96 0.00 0.00 56.93 55.74 2kb6 s PHE 98 Cb -0.03 -1.96 -0.12 0.00 -0.34 0.00 0.00 43.02 40.57 2kb6 s PHE 98 CO 0.01 0.16 -0.27 0.28 -1.46 0.00 0.00 175.22 173.94 2kb6 n VAL 99 N 3.18 1.53 0.00 3.12 0.31 0.11 -4.90 118.33 121.67 2kb6 n VAL 99 Ca -0.17 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2kb6 n VAL 99 Cb 0.53 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 1.30 3.81 3.84 2.92 0.00 -1.11 -4.99 105.19 110.97 2kb6 n GLY 100 Ca -0.47 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 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 4.72 0.00 1.61 -7.23 -1.26 -1.24 120.40 115.00 2kb6 s VAL 101 Ca 0.00 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 2kb6 s VAL 101 Cb 0.00 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.20 2kb6 s VAL 101 CO 0.00 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 2kb6 n GLY 102 N 0.43 3.84 2.98 2.32 0.00 -1.26 -4.98 105.19 108.52 2kb6 n GLY 102 Ca -0.02 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.11 0.00 1.61 1.04 -1.26 -4.94 113.70 110.04 2kb6 s SER 103 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2kb6 s SER 103 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2kb6 s SER 103 CO 0.00 -0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.05