#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 0.89 0.05 2.11 -0.00 -1.91 0.44 115.95 117.53 2kb6 h TRP 3 Ca 0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 58.85 2kb6 h TRP 3 Cb 0.00 -0.28 0.01 0.00 -0.00 0.00 0.00 29.16 28.89 2kb6 h TRP 3 CO 0.00 0.30 -0.30 1.25 -0.00 0.00 0.00 178.44 179.69 2kb6 h LEU 4 N 0.73 0.18 -0.42 0.65 5.85 -2.02 -3.33 115.31 116.94 2kb6 h LEU 4 Ca 0.48 -0.98 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 2kb6 h LEU 4 Cb 0.76 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2kb6 h LEU 4 CO -0.24 1.14 -0.17 0.74 -0.34 0.00 0.00 178.44 179.56 2kb6 h THR 5 N -0.76 0.33 -0.01 1.05 2.02 -1.87 -2.72 112.91 110.95 2kb6 h THR 5 Ca -0.05 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 2kb6 h THR 5 Cb 1.23 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 2kb6 h THR 5 CO 0.06 0.17 -0.16 0.15 0.37 0.00 0.00 175.52 176.10 2kb6 h PHE 6 N 0.00 0.02 0.00 3.16 3.57 -0.27 -1.28 116.94 122.15 2kb6 h PHE 6 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2kb6 h PHE 6 Cb 0.98 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2kb6 h PHE 6 CO 0.00 0.18 -0.46 1.96 -2.23 0.00 0.00 178.31 177.77 2kb6 h GLN 7 N 0.02 0.00 -0.00 1.11 4.20 -1.59 0.36 115.11 119.21 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 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2kb6 h GLN 7 CO 0.02 0.46 -0.73 -0.22 -0.67 0.00 0.00 178.83 177.69 2kb6 h LYS 8 N 0.00 0.02 0.02 1.46 3.11 -1.32 -1.57 116.57 118.29 2kb6 h LYS 8 Ca -0.00 -0.02 -0.35 0.00 -2.81 0.00 0.00 60.65 57.47 2kb6 h LYS 8 Cb 0.82 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.99 2kb6 h LYS 8 CO 0.06 0.74 -2.17 1.17 -2.81 0.00 0.00 179.45 176.44 2kb6 n LYS 9 N -3.69 0.68 0.00 1.90 3.00 -1.00 -4.70 118.16 114.35 2kb6 n LYS 9 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2kb6 n LYS 9 Cb 0.71 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 34.11 2kb6 n LYS 9 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2kb6 n HIS 10 N -3.03 0.00 -4.73 5.64 8.25 0.12 -4.87 115.22 116.60 2kb6 n HIS 10 Ca -0.31 -0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 56.77 2kb6 n HIS 10 Cb 1.08 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.09 3.24 0.02 1.59 -1.09 -0.59 0.57 121.20 124.85 2kb6 s ILE 11 Ca 0.00 -0.61 0.06 0.00 -2.23 0.00 0.00 60.65 57.87 2kb6 s ILE 11 Cb 0.00 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 2kb6 s ILE 11 CO 0.00 0.54 -0.18 0.28 -1.23 0.00 0.00 174.94 174.35 2kb6 s THR 12 N -0.01 1.46 -2.12 2.92 -1.32 -0.40 -4.63 115.64 111.55 2kb6 s THR 12 Ca -0.03 -0.99 0.25 0.00 -1.21 0.00 0.00 61.69 59.71 2kb6 s THR 12 Cb -0.14 -1.26 0.19 0.00 -1.51 0.00 0.00 72.50 69.78 2kb6 s THR 12 CO 0.04 0.24 1.38 -0.46 -2.21 0.00 0.00 174.62 173.60 2kb6 n ASN 13 N 2.16 1.72 -4.12 8.08 0.23 -1.26 -3.81 115.26 118.25 2kb6 n ASN 13 Ca -0.16 -1.35 -0.23 0.00 -0.53 0.00 0.00 54.58 52.30 2kb6 n ASN 13 Cb 0.54 0.23 -0.15 0.00 -2.08 0.00 0.00 39.78 38.31 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 1.20 0.13 5.53 -1.32 -1.26 -5.02 115.64 112.54 2kb6 s THR 14 Ca 0.24 -0.63 -0.10 0.00 -1.21 0.00 0.00 61.69 59.99 2kb6 s THR 14 Cb 0.19 -1.02 -0.11 0.00 -1.51 0.00 0.00 72.50 70.06 2kb6 s THR 14 CO 0.49 0.35 1.39 0.03 -2.21 0.00 0.00 174.62 174.66 2kb6 h ARG 15 N 5.93 0.77 -2.50 7.08 3.08 -1.98 -3.32 114.38 123.45 2kb6 h ARG 15 Ca -0.34 -0.54 -0.78 0.00 0.07 0.00 0.00 59.98 58.38 2kb6 h ARG 15 Cb 1.16 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 31.09 2kb6 h ARG 15 CO 0.48 1.17 1.59 -0.25 -1.07 0.00 0.00 179.97 181.89 2kb6 n ASP 16 N -3.96 7.45 -4.62 7.04 9.92 -1.26 -4.95 116.55 126.18 2kb6 n ASP 16 Ca -0.05 -3.44 -0.42 0.00 -0.53 0.00 0.00 54.79 50.35 2kb6 n ASP 16 Cb 0.67 -1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 39.85 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 -2.80 4.69 -1.25 2.53 0.11 -1.25 -4.96 120.40 117.47 2kb6 s VAL 17 Ca 0.44 1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 60.65 2kb6 s VAL 17 Cb 0.17 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2kb6 s VAL 17 CO -0.09 -0.35 1.87 -0.67 -3.33 0.00 0.00 175.10 172.53 2kb6 n ASP 18 N 6.46 4.09 0.24 3.54 -0.08 -1.26 -4.71 116.55 124.83 2kb6 n ASP 18 Ca 0.07 -2.83 0.10 0.00 -1.51 0.00 0.00 54.79 50.62 2kb6 n ASP 18 Cb 0.48 -1.69 0.69 0.00 2.34 0.00 0.00 41.12 42.94 2kb6 n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb6 h ASP 20 N 0.00 0.99 0.25 0.00 3.58 -1.84 -2.67 116.42 116.73 2kb6 h ASP 20 Ca 0.02 -0.21 -0.34 0.00 0.42 0.00 0.00 57.03 56.92 2kb6 h ASP 20 Cb 0.10 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 2kb6 h ASP 20 CO -0.00 0.97 -1.82 0.78 -2.88 0.00 0.00 179.24 176.29 2kb6 h ASN 21 N 0.99 0.40 -0.71 2.28 2.35 -1.77 -3.37 115.58 115.75 2kb6 h ASN 21 Ca 0.20 -0.74 0.20 0.00 -0.55 0.00 0.00 56.30 55.41 2kb6 h ASN 21 Cb 0.38 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2kb6 h ASN 21 CO 0.01 1.65 0.51 -0.29 -1.65 0.00 0.00 177.43 177.66 2kb6 h ILE 22 N 0.07 0.65 0.00 2.81 2.10 -0.37 -1.31 117.51 121.46 2kb6 h ILE 22 Ca -0.35 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2kb6 h ILE 22 Cb 2.04 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 2kb6 h ILE 22 CO 0.12 0.00 0.00 1.15 -1.08 0.00 0.00 178.15 178.34 2kb6 n MET 23 N -4.33 0.17 0.14 2.19 0.00 -1.01 -0.52 117.12 113.75 2kb6 n MET 23 Ca 0.14 0.53 0.12 0.00 0.00 0.00 0.00 57.70 58.48 2kb6 n MET 23 Cb 0.77 -1.91 0.52 0.00 0.00 0.00 0.00 33.22 32.60 2kb6 n MET 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2kb6 n SER 24 N -2.24 0.64 -4.75 3.17 7.64 -0.49 -0.62 113.62 116.97 2kb6 n SER 24 Ca 0.00 0.70 -0.40 0.00 1.01 0.00 0.00 58.87 60.18 2kb6 n SER 24 Cb 0.14 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.47 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 -3.39 4.73 0.57 0.44 2.01 0.32 -4.86 115.64 115.46 2kb6 s THR 25 Ca 0.02 1.59 0.41 0.00 0.31 0.00 0.00 61.69 64.02 2kb6 s THR 25 Cb 0.08 -4.10 0.41 0.00 0.01 0.00 0.00 72.50 68.90 2kb6 s THR 25 CO 0.33 0.38 2.25 -1.13 -0.69 0.00 0.00 174.62 175.76 2kb6 h ASN 26 N 5.58 0.00 -0.70 3.53 -0.00 -1.86 0.46 115.58 122.60 2kb6 h ASN 26 Ca -0.44 0.00 0.11 0.00 -0.00 0.00 0.00 56.30 55.97 2kb6 h ASN 26 Cb 1.20 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 39.44 2kb6 h ASN 26 CO 0.70 0.00 0.29 0.25 -0.00 0.00 0.00 177.43 178.68 2kb6 h LEU 27 N 0.00 0.31 0.03 0.34 6.46 -1.90 -3.14 115.31 117.42 2kb6 h LEU 27 Ca 0.00 0.09 -0.38 0.00 -0.12 0.00 0.00 57.88 57.47 2kb6 h LEU 27 Cb 0.06 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 2kb6 h LEU 27 CO 0.00 0.16 -2.19 0.49 -0.62 0.00 0.00 178.44 176.28 2kb6 n PHE 28 N -4.96 0.47 -3.34 1.25 3.01 0.14 -5.04 117.46 108.98 2kb6 n PHE 28 Ca 0.12 0.13 -0.16 0.00 1.01 0.00 0.00 57.45 58.55 2kb6 n PHE 28 Cb 0.33 -1.06 0.04 0.00 -0.01 0.00 0.00 39.48 38.79 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 -3.75 -2.43 -3.79 1.38 -0.00 0.14 -3.41 115.22 103.36 2kb6 n HIS 29 Ca -0.43 0.82 -0.27 0.00 0.46 0.00 0.00 57.72 58.30 2kb6 n HIS 29 Cb 0.93 -3.89 0.02 0.00 -0.12 0.00 0.00 29.99 26.93 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 -6.20 3.62 0.03 0.00 0.00 -1.22 -4.95 119.74 111.02 2kb6 s LYS 31 Ca 0.21 0.60 -0.18 0.00 0.00 0.00 0.00 55.97 56.60 2kb6 s LYS 31 Cb -0.07 -2.18 -0.25 0.00 0.00 0.00 0.00 37.83 35.33 2kb6 s LYS 31 CO 0.86 -0.41 1.11 -0.44 0.00 0.00 0.00 175.35 176.47 2kb6 h ASP 32 N 0.02 0.69 -4.38 0.03 5.19 -1.92 -3.46 116.42 112.59 2kb6 h ASP 32 Ca -0.45 -0.77 -0.07 0.00 -0.62 0.00 0.00 57.03 55.11 2kb6 h ASP 32 Cb 1.19 -0.21 -0.21 0.00 0.18 0.00 0.00 39.33 40.28 2kb6 h ASP 32 CO 0.62 1.37 0.01 -1.59 -3.12 0.00 0.00 179.24 176.53 2kb6 s LYS 33 N -3.17 0.79 -0.17 3.56 0.00 -1.26 -0.34 119.74 119.16 2kb6 s LYS 33 Ca -0.12 0.54 -0.04 0.00 0.00 0.00 0.00 55.97 56.35 2kb6 s LYS 33 Cb 0.05 0.38 0.08 0.00 0.00 0.00 0.00 37.83 38.34 2kb6 s LYS 33 CO 0.87 -0.16 0.27 1.21 0.00 0.00 0.00 175.35 177.53 2kb6 s ASN 34 N -0.32 0.67 -0.25 0.03 2.47 -1.22 -5.02 114.94 111.30 2kb6 s ASN 34 Ca -0.05 0.27 -0.19 0.00 0.42 0.00 0.00 52.86 53.31 2kb6 s ASN 34 Cb -0.03 0.66 -0.02 0.00 -1.45 0.00 0.00 41.25 40.41 2kb6 s ASN 34 CO 0.04 -0.28 0.57 -0.89 -3.72 0.00 0.00 177.10 172.82 2kb6 s THR 35 N 2.41 5.03 0.06 -5.21 2.01 -1.26 -3.94 115.64 114.74 2kb6 s THR 35 Ca 0.05 1.01 0.07 0.00 0.31 0.00 0.00 61.69 63.13 2kb6 s THR 35 Cb -0.14 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2kb6 s THR 35 CO -0.11 0.07 -0.15 0.72 -0.69 0.00 0.00 174.62 174.46 2kb6 s PHE 36 N 2.31 2.64 -0.34 4.92 -0.12 -0.91 -4.84 117.98 121.64 2kb6 s PHE 36 Ca 0.24 -0.21 -0.18 0.00 -0.05 0.00 0.00 56.93 56.74 2kb6 s PHE 36 Cb -0.16 -1.46 -0.01 0.00 -0.63 0.00 0.00 43.02 40.77 2kb6 s PHE 36 CO 0.09 0.33 0.49 0.42 -0.05 0.00 0.00 175.22 176.50 2kb6 s ILE 37 N -1.03 5.05 -0.82 -4.49 1.01 0.19 -1.85 121.20 119.26 2kb6 s ILE 37 Ca 0.17 0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.99 2kb6 s ILE 37 Cb -0.11 -3.92 0.10 0.00 0.01 0.00 0.00 42.46 38.54 2kb6 s ILE 37 CO 0.08 -0.15 1.09 -0.47 0.00 0.00 0.00 174.94 175.49 2kb6 s TYR 38 N 2.33 2.88 0.36 3.97 5.04 0.96 -1.27 117.35 131.62 2kb6 s TYR 38 Ca 0.18 -0.99 -0.13 0.00 -2.44 0.00 0.00 57.07 53.69 2kb6 s TYR 38 Cb -0.16 -4.32 0.04 0.00 0.35 0.00 0.00 41.96 37.87 2kb6 s TYR 38 CO 0.12 -1.60 0.70 -1.12 -1.34 0.00 0.00 175.55 172.32 2kb6 s SER 39 N 3.77 0.20 0.57 4.32 0.01 -1.25 -3.97 113.70 117.35 2kb6 s SER 39 Ca 0.29 -1.18 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 2kb6 s SER 39 Cb -0.09 0.79 -0.05 0.00 0.21 0.00 0.00 66.02 66.88 2kb6 s SER 39 CO -0.01 -1.55 1.04 -0.13 0.41 0.00 0.00 173.24 172.99 2kb6 s ARG 40 N -2.67 3.49 0.22 12.44 0.52 -1.26 -4.82 118.95 126.87 2kb6 s ARG 40 Ca 0.19 1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 56.49 2kb6 s ARG 40 Cb -0.04 -2.06 0.20 0.00 0.52 0.00 0.00 34.95 33.58 2kb6 s ARG 40 CO 0.13 -0.66 1.72 -1.00 0.02 0.00 0.00 175.30 175.51 2kb6 h PRO 41 N 0.60 0.97 0.10 3.54 0.13 -2.00 -3.22 132.00 132.12 2kb6 h PRO 41 Ca -0.47 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2kb6 h PRO 41 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2kb6 h PRO 41 CO 0.58 0.92 -0.05 1.49 -0.23 0.00 0.00 178.00 180.72 2kb6 h GLU 42 N 0.90 -0.13 -0.97 0.86 4.81 -1.99 -0.48 114.58 117.59 2kb6 h GLU 42 Ca 0.17 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.58 2kb6 h GLU 42 Cb 0.46 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.78 2kb6 h GLU 42 CO 0.02 -0.06 0.61 -1.35 -0.73 0.00 0.00 179.01 177.50 2kb6 h PRO 43 N -0.16 0.76 -0.01 0.92 0.11 -1.98 0.46 132.00 132.09 2kb6 h PRO 43 Ca -0.01 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2kb6 h PRO 43 Cb 0.13 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 2kb6 h PRO 43 CO 0.02 0.50 0.00 0.28 -0.21 0.00 0.00 178.00 178.59 2kb6 h VAL 44 N 0.78 1.22 -0.01 3.15 2.07 -1.32 -2.91 116.25 119.22 2kb6 h VAL 44 Ca 0.52 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2kb6 h VAL 44 Cb 0.78 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2kb6 h VAL 44 CO -0.29 0.17 -0.12 0.50 0.02 0.00 0.00 177.57 177.85 2kb6 h LYS 45 N -0.25 0.02 0.00 1.57 3.64 -0.60 -2.69 116.57 118.27 2kb6 h LYS 45 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kb6 h LYS 45 Cb 0.28 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2kb6 h LYS 45 CO 0.00 0.14 -0.00 0.00 -2.27 0.00 0.00 179.45 177.32 2kb6 h ALA 46 N 1.86 1.45 -0.13 5.00 0.00 -0.71 0.61 119.26 127.34 2kb6 h ALA 46 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2kb6 h ALA 46 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2kb6 h ALA 46 CO 0.02 0.01 -0.20 0.82 0.00 0.00 0.00 179.25 179.89 2kb6 h ILE 47 N 0.00 1.21 -0.16 0.00 2.04 -1.54 -2.93 117.51 116.13 2kb6 h ILE 47 Ca -0.00 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.89 2kb6 h ILE 47 Cb 0.01 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2kb6 h ILE 47 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.45 2kb6 s LYS 49 N -1.80 4.16 0.00 0.00 2.20 -1.11 -0.80 119.74 122.40 2kb6 s LYS 49 Ca 0.29 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 2kb6 s LYS 49 Cb 0.15 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2kb6 s LYS 49 CO 0.23 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 2kb6 n GLY 50 N 4.35 0.20 3.46 5.54 0.00 -1.26 -5.04 105.19 112.44 2kb6 n GLY 50 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 4.90 -0.22 -0.61 -1.09 0.02 -4.90 121.20 117.25 2kb6 s ILE 51 Ca 0.00 -0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 57.85 2kb6 s ILE 51 Cb 0.00 -4.26 -0.10 0.00 -1.58 0.00 0.00 42.46 36.52 2kb6 s ILE 51 CO 0.00 -0.74 -0.23 0.00 -1.23 0.00 0.00 174.94 172.75 2kb6 n ILE 52 N 5.62 1.51 -1.49 2.92 0.13 -1.26 0.11 119.36 126.90 2kb6 n ILE 52 Ca -0.06 -0.09 -0.29 0.00 -1.10 0.00 0.00 62.75 61.21 2kb6 n ILE 52 Cb 0.46 -2.11 0.14 0.00 -0.84 0.00 0.00 39.64 37.28 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 -2.63 1.70 -0.50 1.51 0.00 -1.26 0.10 121.76 120.67 2kb6 s ALA 53 Ca -0.31 -0.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 2kb6 s ALA 53 Cb 0.08 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2kb6 s ALA 53 CO 0.45 -2.32 1.86 -1.12 0.00 0.00 0.00 175.76 174.64 2kb6 s SER 54 N -3.95 5.45 0.04 0.00 0.01 -1.25 -4.26 113.70 109.75 2kb6 s SER 54 Ca 0.64 0.73 0.09 0.00 1.31 0.00 0.00 55.95 58.72 2kb6 s SER 54 Cb -0.15 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2kb6 s SER 54 CO 0.54 -2.16 -0.25 -0.54 0.41 0.00 0.00 173.24 171.24 2kb6 s LYS 55 N 6.60 1.72 -0.64 12.44 3.01 -0.21 -4.95 119.74 137.71 2kb6 s LYS 55 Ca 0.73 -1.07 -0.22 0.00 -1.01 0.00 0.00 55.97 54.40 2kb6 s LYS 55 Cb -0.16 -1.88 0.07 0.00 -1.01 0.00 0.00 37.83 34.85 2kb6 s LYS 55 CO 0.26 0.49 0.92 1.21 0.51 0.00 0.00 175.35 178.73 2kb6 s ASN 56 N -1.21 6.19 -0.14 2.83 3.04 -1.26 -0.79 114.94 123.60 2kb6 s ASN 56 Ca 0.11 -0.99 -0.06 0.00 0.04 0.00 0.00 52.86 51.95 2kb6 s ASN 56 Cb -0.10 -2.40 -0.04 0.00 -1.54 0.00 0.00 41.25 37.17 2kb6 s ASN 56 CO 0.02 -1.36 0.08 -0.69 -3.04 0.00 0.00 177.10 172.11 2kb6 s VAL 57 N 3.83 5.00 -0.21 -5.21 1.01 0.48 -4.91 120.40 120.39 2kb6 s VAL 57 Ca 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2kb6 s VAL 57 Cb -0.18 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2kb6 s VAL 57 CO 0.10 0.56 0.06 -0.22 0.00 0.00 0.00 175.10 175.60 2kb6 s LEU 58 N -0.48 3.62 0.30 3.92 0.20 -1.26 -1.05 118.68 123.92 2kb6 s LEU 58 Ca 0.11 -0.05 -0.30 0.00 0.69 0.00 0.00 54.13 54.58 2kb6 s LEU 58 Cb -0.12 -1.93 -0.12 0.00 -0.43 0.00 0.00 46.19 43.58 2kb6 s LEU 58 CO 0.02 0.09 1.40 0.41 -0.29 0.00 0.00 176.35 177.98 2kb6 n THR 59 N 4.10 1.44 0.40 3.68 -1.04 0.14 -4.91 114.28 118.09 2kb6 n THR 59 Ca -0.16 -0.36 0.11 0.00 -2.04 0.00 0.00 64.05 61.60 2kb6 n THR 59 Cb 0.52 -1.63 0.04 0.00 -1.82 0.00 0.00 70.33 67.44 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 1.24 0.34 -3.63 12.58 -1.04 -1.26 -4.54 114.28 117.96 2kb6 n THR 60 Ca 0.08 -0.36 -0.22 0.00 -2.04 0.00 0.00 64.05 61.51 2kb6 n THR 60 Cb 0.35 -0.05 -0.02 0.00 -1.82 0.00 0.00 70.33 68.78 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 -4.45 4.93 -0.22 8.00 0.01 -1.26 -5.02 113.70 115.69 2kb6 s SER 61 Ca 0.02 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 2kb6 s SER 61 Cb 0.13 -0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 2kb6 s SER 61 CO 0.78 -0.77 -0.01 -1.83 0.41 0.00 0.00 173.24 171.82 2kb6 s GLU 62 N -4.17 3.51 0.27 12.44 -1.05 -1.26 -3.74 118.70 124.69 2kb6 s GLU 62 Ca 0.46 -0.57 0.08 0.00 -0.15 0.00 0.00 54.97 54.79 2kb6 s GLU 62 Cb -0.03 -3.07 -0.04 0.00 -0.44 0.00 0.00 34.13 30.55 2kb6 s GLU 62 CO 0.27 -0.11 0.15 -0.06 0.95 0.00 0.00 175.26 176.46 2kb6 s PHE 63 N 1.30 2.94 -0.62 4.83 0.40 -0.52 -4.70 117.98 121.61 2kb6 s PHE 63 Ca 0.04 -0.19 -0.28 0.00 -0.60 0.00 0.00 56.93 55.90 2kb6 s PHE 63 Cb -0.15 -1.42 0.03 0.00 0.51 0.00 0.00 43.02 42.00 2kb6 s PHE 63 CO 0.00 0.49 1.25 0.71 0.70 0.00 0.00 175.22 178.37 2kb6 s TYR 64 N -2.23 2.47 -0.15 0.36 2.02 -1.25 -2.04 117.35 116.52 2kb6 s TYR 64 Ca 0.34 0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 2kb6 s TYR 64 Cb -0.07 -4.53 -0.01 0.00 -0.40 0.00 0.00 41.96 36.95 2kb6 s TYR 64 CO 0.24 -1.77 -0.12 -0.51 -1.57 0.00 0.00 175.55 171.81 2kb6 s LEU 65 N 5.33 2.68 -0.25 -1.29 1.43 0.88 -0.03 118.68 127.43 2kb6 s LEU 65 Ca 0.42 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2kb6 s LEU 65 Cb -0.08 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 2kb6 s LEU 65 CO 0.23 0.12 0.02 -0.44 0.23 0.00 0.00 176.35 176.50 2kb6 s SER 66 N 0.63 4.75 -0.21 2.29 0.01 -0.77 -0.47 113.70 119.92 2kb6 s SER 66 Ca -0.07 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2kb6 s SER 66 Cb -0.15 -1.82 0.04 0.00 0.21 0.00 0.00 66.02 64.29 2kb6 s SER 66 CO 0.03 -0.07 -0.13 -0.62 0.41 0.00 0.00 173.24 172.85 2kb6 s ASP 67 N 1.52 3.67 -0.53 2.44 2.15 0.80 -2.14 116.67 124.58 2kb6 s ASP 67 Ca 0.05 -0.99 -0.17 0.00 0.43 0.00 0.00 52.55 51.87 2kb6 s ASP 67 Cb -0.15 -1.42 0.10 0.00 -0.30 0.00 0.00 42.92 41.16 2kb6 s ASP 67 CO 0.00 -0.12 0.52 0.00 -0.17 0.00 0.00 175.17 175.40 2kb6 s ASN 69 N 3.27 4.95 0.41 0.00 2.20 -1.26 -3.46 114.94 121.06 2kb6 s ASN 69 Ca 0.06 -0.13 -0.25 0.00 -0.94 0.00 0.00 52.86 51.59 2kb6 s ASN 69 Cb -0.27 -1.84 -0.10 0.00 -2.00 0.00 0.00 41.25 37.04 2kb6 s ASN 69 CO 0.05 0.11 1.15 0.55 -2.94 0.00 0.00 177.10 176.02 2kb6 n VAL 70 N 3.91 2.47 -1.27 3.54 3.14 0.54 -4.37 118.33 126.29 2kb6 n VAL 70 Ca -0.17 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 2kb6 n VAL 70 Cb 0.52 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 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 -0.29 0.00 -0.26 1.55 -2.24 -0.74 -4.96 114.28 107.33 2kb6 n THR 71 Ca 0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 2kb6 n THR 71 Cb 0.39 -0.06 0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.89 -3.27 3.42 0.02 -1.96 -3.42 113.55 109.24 2kb6 h SER 72 Ca 0.00 -0.08 -0.54 0.00 -0.84 0.00 0.00 61.79 60.33 2kb6 h SER 72 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2kb6 h SER 72 CO 0.00 0.72 0.50 -0.13 -1.14 0.00 0.00 176.83 176.78 2kb6 s ARG 73 N -5.90 4.47 -0.03 3.45 0.52 -1.26 -4.95 118.95 115.25 2kb6 s ARG 73 Ca -0.13 1.60 -0.32 0.00 -0.52 0.00 0.00 55.73 56.36 2kb6 s ARG 73 Cb 0.15 -3.43 -0.11 0.00 0.52 0.00 0.00 34.95 32.08 2kb6 s ARG 73 CO 0.79 -0.20 1.92 -0.35 0.02 0.00 0.00 175.30 177.48 2kb6 n PRO 74 N 4.13 2.49 -1.04 3.54 -0.04 -1.26 -1.28 135.00 141.54 2kb6 n PRO 74 Ca 0.08 0.91 -0.01 0.00 -0.04 0.00 0.00 63.50 64.44 2kb6 n PRO 74 Cb 0.48 -2.81 -0.01 0.00 -0.04 0.00 0.00 33.50 31.13 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 -1.15 3.14 0.36 0.00 -0.14 -0.40 -4.98 119.74 116.57 2kb6 s LYS 76 Ca 0.00 -0.76 -0.01 0.00 -1.36 0.00 0.00 55.97 53.84 2kb6 s LYS 76 Cb 0.00 -2.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 2kb6 s LYS 76 CO 0.00 -0.14 0.49 1.52 -0.76 0.00 0.00 175.35 176.45 2kb6 s TYR 77 N 1.20 1.15 0.13 3.18 -0.85 -1.26 -1.80 117.35 119.09 2kb6 s TYR 77 Ca 0.02 -1.36 0.08 0.00 -0.52 0.00 0.00 57.07 55.29 2kb6 s TYR 77 Cb -0.14 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 2kb6 s TYR 77 CO -0.07 -1.17 -0.19 -1.59 -1.52 0.00 0.00 175.55 171.01 2kb6 s LYS 78 N -2.91 1.15 -0.00 -3.49 -2.85 -1.26 -4.70 119.74 105.68 2kb6 s LYS 78 Ca 0.31 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.73 2kb6 s LYS 78 Cb -0.01 -1.30 -0.06 0.00 -2.06 0.00 0.00 37.83 34.41 2kb6 s LYS 78 CO 0.22 0.28 1.47 -1.17 0.10 0.00 0.00 175.35 176.25 2kb6 s LEU 79 N -2.23 4.32 -0.32 2.77 0.20 -1.26 -4.07 118.68 118.10 2kb6 s LEU 79 Ca 0.10 2.18 0.01 0.00 0.69 0.00 0.00 54.13 57.10 2kb6 s LEU 79 Cb -0.08 -3.56 0.08 0.00 -0.43 0.00 0.00 46.19 42.20 2kb6 s LEU 79 CO 0.05 -0.78 0.02 -0.75 -0.29 0.00 0.00 176.35 174.60 2kb6 s LYS 80 N 2.69 2.02 -0.15 1.98 2.20 -0.72 -4.99 119.74 122.77 2kb6 s LYS 80 Ca 0.66 -1.57 -0.13 0.00 -0.36 0.00 0.00 55.97 54.58 2kb6 s LYS 80 Cb -0.33 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2kb6 s LYS 80 CO 0.27 -0.78 0.26 0.15 -0.36 0.00 0.00 175.35 174.90 2kb6 s LYS 81 N 1.09 4.16 0.01 4.03 1.02 -1.26 -0.14 119.74 128.65 2kb6 s LYS 81 Ca 0.01 0.05 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 2kb6 s LYS 81 Cb -0.20 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2kb6 s LYS 81 CO -0.05 0.32 0.13 -1.12 -0.92 0.00 0.00 175.35 173.72 2kb6 s SER 82 N 0.23 0.05 -0.38 2.83 0.01 0.38 -5.01 113.70 111.82 2kb6 s SER 82 Ca 0.15 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 2kb6 s SER 82 Cb -0.13 0.21 0.08 0.00 0.21 0.00 0.00 66.02 66.39 2kb6 s SER 82 CO 0.04 -0.40 0.16 -0.89 0.41 0.00 0.00 173.24 172.56 2kb6 s THR 83 N -1.62 3.53 0.23 1.44 2.01 -1.26 -0.08 115.64 119.88 2kb6 s THR 83 Ca -0.13 -1.63 -0.14 0.00 0.31 0.00 0.00 61.69 60.10 2kb6 s THR 83 Cb -0.06 -3.21 0.01 0.00 0.01 0.00 0.00 72.50 69.24 2kb6 s THR 83 CO 0.00 -0.45 0.49 0.21 -0.69 0.00 0.00 174.62 174.18 2kb6 s ASN 84 N 1.73 -0.14 0.59 3.53 2.47 -0.87 -4.77 114.94 117.48 2kb6 s ASN 84 Ca 0.03 -0.77 -0.10 0.00 0.42 0.00 0.00 52.86 52.44 2kb6 s ASN 84 Cb -0.22 0.58 -0.04 0.00 -1.45 0.00 0.00 41.25 40.12 2kb6 s ASN 84 CO -0.01 -1.11 0.97 -1.59 -3.72 0.00 0.00 177.10 171.64 2kb6 s LYS 85 N -3.96 3.57 0.16 0.43 -2.85 -1.25 -1.44 119.74 114.41 2kb6 s LYS 85 Ca 0.17 0.60 -0.05 0.00 -1.00 0.00 0.00 55.97 55.70 2kb6 s LYS 85 Cb -0.01 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2kb6 s LYS 85 CO 0.05 -0.49 0.18 -0.59 0.10 0.00 0.00 175.35 174.60 2kb6 s PHE 86 N -3.07 0.72 -0.13 1.78 -0.71 -1.26 -2.04 117.98 113.26 2kb6 s PHE 86 Ca 0.53 -1.06 0.02 0.00 -1.04 0.00 0.00 56.93 55.38 2kb6 s PHE 86 Cb -0.11 -0.29 -0.00 0.00 -1.21 0.00 0.00 43.02 41.41 2kb6 s PHE 86 CO 0.52 -0.65 -0.19 0.00 -1.34 0.00 0.00 175.22 173.56 2kb6 s ALA 87 N -4.04 2.37 0.21 1.99 0.00 0.46 0.26 121.76 123.01 2kb6 s ALA 87 Ca 0.24 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2kb6 s ALA 87 Cb 0.05 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2kb6 s ALA 87 CO 0.04 0.09 -0.09 0.14 0.00 0.00 0.00 175.76 175.93 2kb6 s VAL 88 N 0.63 1.46 -0.40 0.00 -7.23 -0.22 -1.27 120.40 113.37 2kb6 s VAL 88 Ca -0.10 -2.13 -0.18 0.00 -1.81 0.00 0.00 61.98 57.76 2kb6 s VAL 88 Cb -0.16 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.68 2kb6 s VAL 88 CO 0.03 -0.54 0.50 -0.89 -0.31 0.00 0.00 175.10 173.89 2kb6 s THR 89 N -3.15 5.01 -0.10 5.32 2.01 0.67 -0.39 115.64 125.01 2kb6 s THR 89 Ca 0.23 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 2kb6 s THR 89 Cb 0.02 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 2kb6 s THR 89 CO 0.06 -0.40 0.07 0.00 -0.69 0.00 0.00 174.62 173.66 2kb6 s GLU 91 N -0.94 0.19 -1.59 0.00 2.12 0.12 -1.05 118.70 117.56 2kb6 s GLU 91 Ca 0.14 0.47 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 2kb6 s GLU 91 Cb -0.12 -0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.18 2kb6 s GLU 91 CO 0.03 -0.15 0.37 0.09 -0.54 0.00 0.00 175.26 175.06 2kb6 n ASN 92 N 4.06 -5.90 -2.22 -1.70 5.03 0.11 -1.88 115.26 112.76 2kb6 n ASN 92 Ca -0.24 -0.18 -0.21 0.00 0.87 0.00 0.00 54.58 54.82 2kb6 n ASN 92 Cb 0.53 -4.80 -0.03 0.00 -1.02 0.00 0.00 39.78 34.47 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 -3.54 -1.64 -4.65 3.52 3.00 0.30 -4.97 117.38 109.39 2kb6 n GLN 93 Ca -0.16 1.06 -0.25 0.00 -0.01 0.00 0.00 57.00 57.64 2kb6 n GLN 93 Cb 0.64 -5.66 -0.16 0.00 0.00 0.00 0.00 30.24 25.06 2kb6 n GLN 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kb6 s ALA 94 N -2.97 1.33 -0.38 -1.58 0.00 -0.79 -4.60 121.76 112.77 2kb6 s ALA 94 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.18 2kb6 s ALA 94 Cb 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2kb6 s ALA 94 CO 0.00 0.16 1.38 -1.25 0.00 0.00 0.00 175.76 176.05 2kb6 s PRO 95 N 0.48 3.68 0.00 0.00 0.04 -1.26 -0.70 135.00 137.24 2kb6 s PRO 95 Ca -0.12 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2kb6 s PRO 95 Cb -0.14 -3.98 0.01 0.00 0.04 0.00 0.00 34.50 30.42 2kb6 s PRO 95 CO 0.03 -1.43 0.81 1.33 0.04 0.00 0.00 177.00 177.78 2kb6 n VAL 96 N 6.82 0.61 -3.70 -0.36 0.24 -0.07 -4.57 118.33 117.30 2kb6 n VAL 96 Ca 0.16 -0.81 -0.14 0.00 -2.04 0.00 0.00 64.34 61.51 2kb6 n VAL 96 Cb 0.48 0.70 -0.09 0.00 -1.47 0.00 0.00 33.84 33.45 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 -0.62 -0.46 -0.19 6.34 5.65 -1.19 -4.49 115.29 120.33 2kb6 s HIS 97 Ca 0.00 1.03 -0.06 0.00 0.25 0.00 0.00 55.06 56.29 2kb6 s HIS 97 Cb 0.00 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.55 2kb6 s HIS 97 CO 0.00 -0.32 0.03 0.12 -0.65 0.00 0.00 174.74 173.93 2kb6 s PHE 98 N -0.25 3.14 -0.25 3.88 5.36 -1.26 -0.24 117.98 128.36 2kb6 s PHE 98 Ca -0.04 -0.15 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 2kb6 s PHE 98 Cb -0.03 -2.08 -0.16 0.00 -0.34 0.00 0.00 43.02 40.40 2kb6 s PHE 98 CO 0.02 -0.02 -0.21 0.28 -1.46 0.00 0.00 175.22 173.84 2kb6 n VAL 99 N 3.85 1.52 0.00 3.12 0.31 -0.39 -4.92 118.33 121.82 2kb6 n VAL 99 Ca -0.17 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2kb6 n VAL 99 Cb 0.52 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 1.93 4.12 3.93 2.92 0.00 -0.99 -5.00 105.19 112.10 2kb6 n GLY 100 Ca -0.47 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 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 2.85 0.00 1.61 -7.23 -1.26 -0.40 120.40 113.97 2kb6 s VAL 101 Ca 0.00 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 2kb6 s VAL 101 Cb 0.00 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2kb6 s VAL 101 CO 0.00 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2kb6 n GLY 102 N -2.71 -0.45 3.51 2.32 0.00 -0.86 -4.84 105.19 102.15 2kb6 n GLY 102 Ca 0.07 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 2kb6 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb6 s SER 103 N -1.27 -0.65 0.00 1.61 0.15 -1.26 -4.67 113.70 107.60 2kb6 s SER 103 Ca 0.00 0.66 0.27 0.00 0.70 0.00 0.00 55.95 57.58 2kb6 s SER 103 Cb 0.00 0.54 0.79 0.00 -1.71 0.00 0.00 66.02 65.65 2kb6 s SER 103 CO 0.00 -0.64 1.60 0.00 1.20 0.00 0.00 173.24 175.40