#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk8 s GLY 2 N 0.00 1.21 -0.64 -5.12 0.00 -1.26 -5.07 107.32 96.44 2kk8 s GLY 2 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.31 2kk8 s GLY 2 CO 0.00 0.78 2.11 -2.38 0.00 0.00 0.00 173.10 173.61 2kk8 s HIS 3 N 1.44 1.44 -0.07 1.90 0.00 -1.26 -4.90 115.29 113.84 2kk8 s HIS 3 Ca -0.02 1.14 -0.03 0.00 -3.00 0.00 0.00 55.06 53.16 2kk8 s HIS 3 Cb -0.16 -3.85 0.04 0.00 -4.00 0.00 0.00 32.58 24.60 2kk8 s HIS 3 CO -0.08 -2.22 0.15 -1.01 -1.00 0.00 0.00 174.74 170.59 2kk8 s HIS 4 N 10.84 -0.17 -0.20 0.38 4.02 -1.26 -5.12 115.29 123.77 2kk8 s HIS 4 Ca 0.80 0.52 -0.04 0.00 1.02 0.00 0.00 55.06 57.36 2kk8 s HIS 4 Cb -0.13 -0.13 0.07 0.00 -1.02 0.00 0.00 32.58 31.37 2kk8 s HIS 4 CO 0.18 -0.20 0.08 -3.38 1.02 0.00 0.00 174.74 172.44 2kk8 s HIS 5 N 1.49 0.60 -0.21 1.40 0.00 -1.26 -5.09 115.29 112.22 2kk8 s HIS 5 Ca -0.06 -0.68 -0.04 0.00 -3.00 0.00 0.00 55.06 51.29 2kk8 s HIS 5 Cb -0.12 -0.90 0.10 0.00 -4.00 0.00 0.00 32.58 27.66 2kk8 s HIS 5 CO -0.06 -0.62 0.29 -1.01 -1.00 0.00 0.00 174.74 172.34 2kk8 s HIS 6 N 2.00 -0.51 0.08 0.38 0.09 -1.26 -5.13 115.29 110.94 2kk8 s HIS 6 Ca 0.02 0.57 -0.31 0.00 -0.00 0.00 0.00 55.06 55.35 2kk8 s HIS 6 Cb -0.16 -0.17 -0.08 0.00 -0.00 0.00 0.00 32.58 32.17 2kk8 s HIS 6 CO -0.14 -0.61 1.53 -3.38 -0.00 0.00 0.00 174.74 172.14 2kk8 s HIS 7 N 2.43 2.79 0.76 1.40 -0.00 -1.26 -4.99 115.29 116.42 2kk8 s HIS 7 Ca 0.08 0.61 -0.11 0.00 -0.00 0.00 0.00 55.06 55.64 2kk8 s HIS 7 Cb -0.15 -3.84 0.05 0.00 -0.00 0.00 0.00 32.58 28.64 2kk8 s HIS 7 CO -0.13 -3.18 1.09 -1.01 -0.00 0.00 0.00 174.74 171.51 2kk8 s HIS 8 N 2.03 2.98 0.28 0.38 4.02 -1.26 -4.97 115.29 118.74 2kk8 s HIS 8 Ca 0.69 1.15 0.06 0.00 1.02 0.00 0.00 55.06 57.99 2kk8 s HIS 8 Cb -0.38 -3.08 0.40 0.00 -1.02 0.00 0.00 32.58 28.50 2kk8 s HIS 8 CO 0.30 -1.57 1.66 0.77 1.02 0.00 0.00 174.74 176.92 2kk8 h SER 9 N -0.94 0.25 -4.22 1.40 0.02 -1.97 -3.43 113.55 104.66 2kk8 h SER 9 Ca -0.46 -0.11 -0.69 0.00 -0.84 0.00 0.00 61.79 59.68 2kk8 h SER 9 Cb 1.26 -0.07 -0.25 0.00 0.14 0.00 0.00 62.40 63.47 2kk8 h SER 9 CO 0.60 0.68 -0.81 -1.38 -1.14 0.00 0.00 176.83 174.78 2kk8 s HIS 10 N -4.02 2.57 -0.10 3.45 0.00 -1.26 -1.20 115.29 114.73 2kk8 s HIS 10 Ca -0.04 -0.25 0.01 0.00 -3.00 0.00 0.00 55.06 51.77 2kk8 s HIS 10 Cb 0.13 -1.58 -0.02 0.00 -4.00 0.00 0.00 32.58 27.11 2kk8 s HIS 10 CO 0.78 0.12 -0.11 -1.64 -1.00 0.00 0.00 174.74 172.89 2kk8 s MET 11 N -0.73 3.05 -0.41 -0.38 1.00 0.11 -4.93 119.30 117.01 2kk8 s MET 11 Ca 0.11 -0.64 -0.19 0.00 0.00 0.00 0.00 55.69 54.97 2kk8 s MET 11 Cb -0.10 -2.59 0.02 0.00 0.00 0.00 0.00 34.83 32.15 2kk8 s MET 11 CO 0.00 0.42 0.55 0.15 0.00 0.00 0.00 175.02 176.14 2kk8 s LYS 12 N -0.18 3.29 -0.13 2.03 1.02 -1.26 -1.89 119.74 122.62 2kk8 s LYS 12 Ca 0.01 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.55 2kk8 s LYS 12 Cb -0.13 -3.93 -0.01 0.00 -0.52 0.00 0.00 37.83 33.24 2kk8 s LYS 12 CO 0.03 -0.88 -0.14 -0.59 -0.92 0.00 0.00 175.35 172.85 2kk8 s PHE 13 N 2.51 2.79 -0.57 3.18 -0.71 0.22 -4.90 117.98 120.50 2kk8 s PHE 13 Ca 0.18 -0.70 -0.28 0.00 -1.04 0.00 0.00 56.93 55.09 2kk8 s PHE 13 Cb -0.15 -1.84 0.03 0.00 -1.21 0.00 0.00 43.02 39.84 2kk8 s PHE 13 CO 0.16 -0.25 1.21 -1.17 -1.34 0.00 0.00 175.22 173.83 2kk8 s LEU 14 N 0.40 3.45 -0.50 -1.99 2.96 -1.26 -2.14 118.68 119.60 2kk8 s LEU 14 Ca -0.11 0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.71 2kk8 s LEU 14 Cb -0.16 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.40 2kk8 s LEU 14 CO 0.05 -1.50 0.81 0.68 -1.32 0.00 0.00 176.35 175.08 2kk8 s VAL 15 N 5.04 4.60 -0.47 1.68 -7.23 -0.53 -4.62 120.40 118.87 2kk8 s VAL 15 Ca 0.44 0.19 -0.13 0.00 -1.81 0.00 0.00 61.98 60.68 2kk8 s VAL 15 Cb -0.08 -4.40 0.09 0.00 0.56 0.00 0.00 36.38 32.56 2kk8 s VAL 15 CO 0.26 -0.88 0.36 -0.70 -0.31 0.00 0.00 175.10 173.83 2kk8 s GLU 16 N 3.40 2.80 -0.06 4.82 2.12 -1.10 -1.35 118.70 129.34 2kk8 s GLU 16 Ca 0.27 -1.50 -0.30 0.00 0.36 0.00 0.00 54.97 53.80 2kk8 s GLU 16 Cb -0.14 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.20 2kk8 s GLU 16 CO 0.19 -1.08 1.19 1.21 -0.54 0.00 0.00 175.26 176.23 2kk8 s ASN 17 N 2.62 7.07 0.54 -1.70 3.84 -1.25 -0.65 114.94 125.41 2kk8 s ASN 17 Ca 0.04 1.80 0.30 0.00 0.21 0.00 0.00 52.86 55.21 2kk8 s ASN 17 Cb -0.25 -2.56 1.55 0.00 -0.55 0.00 0.00 41.25 39.45 2kk8 s ASN 17 CO 0.04 -0.57 2.09 0.25 -2.79 0.00 0.00 177.10 176.12 2kk8 h LEU 18 N 8.14 0.00 -0.30 3.21 5.85 -1.49 -1.64 115.31 129.08 2kk8 h LEU 18 Ca -0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2kk8 h LEU 18 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2kk8 h LEU 18 CO 0.88 0.09 -0.33 -3.20 -0.34 0.00 0.00 178.44 175.54 2kk8 n ASN 19 N -3.49 0.73 0.00 1.25 5.15 -1.26 -5.00 115.26 112.64 2kk8 n ASN 19 Ca -0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.10 2kk8 n ASN 19 Cb 0.23 0.78 0.00 0.00 -0.53 0.00 0.00 39.78 40.26 2kk8 n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kk8 n GLY 20 N 1.07 0.97 2.94 8.20 0.00 -0.61 -5.14 105.19 112.61 2kk8 n GLY 20 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2kk8 n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kk8 s SER 21 N -0.30 0.02 -0.14 1.61 0.15 -1.25 -4.84 113.70 108.96 2kk8 s SER 21 Ca 0.00 -0.05 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 2kk8 s SER 21 Cb 0.00 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.36 2kk8 s SER 21 CO 0.00 -0.09 1.62 -0.44 1.20 0.00 0.00 173.24 175.52 2kk8 s SER 22 N -0.36 6.53 -0.04 5.45 0.01 -1.26 -3.76 113.70 120.26 2kk8 s SER 22 Ca -0.04 1.90 0.05 0.00 1.31 0.00 0.00 55.95 59.17 2kk8 s SER 22 Cb -0.03 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2kk8 s SER 22 CO -0.00 -1.09 -0.21 0.12 0.41 0.00 0.00 173.24 172.47 2kk8 s PHE 23 N 4.63 2.00 -0.52 2.43 5.36 -0.45 -4.98 117.98 126.45 2kk8 s PHE 23 Ca 0.71 -0.55 -0.28 0.00 -0.96 0.00 0.00 56.93 55.85 2kk8 s PHE 23 Cb -0.28 -1.32 0.03 0.00 -0.34 0.00 0.00 43.02 41.11 2kk8 s PHE 23 CO 0.28 -0.16 1.13 -2.00 -1.46 0.00 0.00 175.22 173.01 2kk8 s GLU 24 N -0.12 3.61 -0.14 10.12 2.12 -1.26 -1.45 118.70 131.57 2kk8 s GLU 24 Ca -0.02 0.36 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 2kk8 s GLU 24 Cb -0.12 -3.96 -0.03 0.00 0.26 0.00 0.00 34.13 30.28 2kk8 s GLU 24 CO 0.02 -1.49 -0.02 -1.17 -0.54 0.00 0.00 175.26 172.07 2kk8 s LEU 25 N 4.55 3.40 -0.25 2.70 0.20 -0.91 -4.97 118.68 123.40 2kk8 s LEU 25 Ca 0.44 -0.04 -0.03 0.00 0.69 0.00 0.00 54.13 55.19 2kk8 s LEU 25 Cb -0.08 -1.81 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 2kk8 s LEU 25 CO 0.28 0.22 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.84 2kk8 s GLU 26 N 0.06 3.05 0.12 1.98 2.12 -1.26 -0.61 118.70 124.16 2kk8 s GLU 26 Ca 0.01 -0.85 0.06 0.00 0.36 0.00 0.00 54.97 54.56 2kk8 s GLU 26 Cb -0.13 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2kk8 s GLU 26 CO 0.02 -0.35 -0.15 0.14 -0.54 0.00 0.00 175.26 174.38 2kk8 s VAL 27 N 1.41 1.38 0.43 3.70 -7.23 -0.79 -4.97 120.40 114.33 2kk8 s VAL 27 Ca 0.02 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2kk8 s VAL 27 Cb -0.16 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2kk8 s VAL 27 CO -0.03 -0.37 0.69 -0.62 -0.31 0.00 0.00 175.10 174.47 2kk8 s ASP 28 N -2.37 6.25 0.44 4.85 2.15 -1.26 0.08 116.67 126.81 2kk8 s ASP 28 Ca 0.08 0.72 0.18 0.00 0.43 0.00 0.00 52.55 53.97 2kk8 s ASP 28 Cb -0.06 -2.14 1.12 0.00 -0.30 0.00 0.00 42.92 41.54 2kk8 s ASP 28 CO 0.03 -0.48 1.89 1.88 -0.17 0.00 0.00 175.17 178.32 2kk8 h TYR 29 N 0.43 0.45 -0.04 -5.34 -1.99 -1.51 -0.58 116.97 108.39 2kk8 h TYR 29 Ca -0.48 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.26 2kk8 h TYR 29 Cb 1.21 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.80 2kk8 h TYR 29 CO 0.55 0.14 0.00 -2.13 -0.00 0.00 0.00 178.16 176.72 2kk8 n ARG 30 N -4.47 1.59 -2.43 4.88 0.63 -1.26 -1.16 116.66 114.43 2kk8 n ARG 30 Ca 0.17 -0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 55.82 2kk8 n ARG 30 Cb 0.65 -1.46 -0.03 0.00 0.45 0.00 0.00 32.46 32.07 2kk8 n ARG 30 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2kk8 s ASP 31 N -1.91 7.12 0.60 6.15 1.01 -0.23 -4.87 116.67 124.55 2kk8 s ASP 31 Ca 0.38 2.09 -0.11 0.00 0.71 0.00 0.00 52.55 55.62 2kk8 s ASP 31 Cb 0.20 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2kk8 s ASP 31 CO 0.32 -0.39 1.01 0.42 0.21 0.00 0.00 175.17 176.74 2kk8 s THR 32 N 0.49 4.71 -2.00 -1.27 -4.23 -1.26 -2.11 115.64 109.98 2kk8 s THR 32 Ca 0.55 0.85 0.18 0.00 -1.18 0.00 0.00 61.69 62.09 2kk8 s THR 32 Cb -0.30 -3.86 0.51 0.00 1.34 0.00 0.00 72.50 70.19 2kk8 s THR 32 CO 0.32 -1.10 1.59 0.18 -0.54 0.00 0.00 174.62 175.07 2kk8 n LEU 33 N -2.65 0.00 -0.13 4.79 4.77 0.33 -2.31 117.00 121.80 2kk8 n LEU 33 Ca 0.06 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 2kk8 n LEU 33 Cb 0.54 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2kk8 n LEU 33 CO 0.57 0.00 -1.36 -0.11 -1.33 0.00 0.00 177.39 175.16 2kk8 n LEU 34 N -0.83 2.44 -0.18 2.23 7.94 -1.16 -4.13 117.00 123.32 2kk8 n LEU 34 Ca 0.13 0.12 -0.05 0.00 -1.11 0.00 0.00 56.01 55.10 2kk8 n LEU 34 Cb 0.06 -0.87 0.12 0.00 0.53 0.00 0.00 43.42 43.26 2kk8 n LEU 34 CO 0.10 0.74 0.93 0.58 -1.11 0.00 0.00 177.39 178.63 2kk8 h VAL 35 N -0.52 1.25 -0.34 1.96 2.07 -1.83 -2.17 116.25 116.68 2kk8 h VAL 35 Ca -0.63 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 2kk8 h VAL 35 Cb 1.75 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2kk8 h VAL 35 CO -0.25 0.35 0.14 1.62 0.02 0.00 0.00 177.57 179.45 2kk8 h VAL 36 N 0.90 1.13 -0.32 2.57 3.04 -1.69 -1.45 116.25 120.43 2kk8 h VAL 36 Ca 0.18 -0.40 -0.07 0.00 -1.01 0.00 0.00 66.70 65.40 2kk8 h VAL 36 Cb 0.39 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2kk8 h VAL 36 CO 0.01 0.15 -0.11 0.11 -1.01 0.00 0.00 177.57 176.72 2kk8 h LYS 37 N 0.47 0.54 0.00 4.17 1.57 -1.55 0.17 116.57 121.93 2kk8 h LYS 37 Ca 0.12 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2kk8 h LYS 37 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kk8 h LYS 37 CO -0.01 0.64 -0.20 1.96 -0.57 0.00 0.00 179.45 181.27 2kk8 h GLN 38 N 0.50 0.00 0.17 3.15 4.20 -1.05 0.15 115.11 122.22 2kk8 h GLN 38 Ca 0.09 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.56 2kk8 h GLN 38 Cb 0.49 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.29 2kk8 h GLN 38 CO 0.03 0.20 -1.08 0.87 -0.67 0.00 0.00 178.83 178.18 2kk8 h LYS 39 N 0.00 0.35 -0.72 1.46 1.57 -0.92 -3.33 116.57 114.98 2kk8 h LYS 39 Ca -0.00 -0.60 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 2kk8 h LYS 39 Cb 0.39 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2kk8 h LYS 39 CO 0.03 1.29 0.22 0.82 -0.57 0.00 0.00 179.45 181.23 2kk8 h ILE 40 N -0.23 1.26 -0.97 1.86 2.04 -0.39 -2.87 117.51 118.20 2kk8 h ILE 40 Ca -0.20 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 64.87 2kk8 h ILE 40 Cb 1.79 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 2kk8 h ILE 40 CO 0.17 0.35 0.62 -0.08 0.00 0.00 0.00 178.15 179.21 2kk8 h GLU 41 N 1.07 0.97 -0.03 2.37 4.81 -0.83 0.35 114.58 123.29 2kk8 h GLU 41 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2kk8 h GLU 41 Cb 0.31 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kk8 h GLU 41 CO -0.01 0.64 -0.12 -0.09 -0.73 0.00 0.00 179.01 178.70 2kk8 h ARG 42 N 1.00 0.13 -0.24 1.92 2.43 -1.62 -0.12 114.38 117.87 2kk8 h ARG 42 Ca 0.46 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2kk8 h ARG 42 Cb 0.40 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2kk8 h ARG 42 CO -0.22 0.75 -0.27 0.77 -1.51 0.00 0.00 179.97 179.49 2kk8 h SER 43 N -0.45 0.66 0.40 -3.80 0.02 -1.23 -3.20 113.55 105.95 2kk8 h SER 43 Ca -0.01 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2kk8 h SER 43 Cb 0.77 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2kk8 h SER 43 CO 0.03 1.02 -0.51 0.00 -1.14 0.00 0.00 176.83 176.22 2kk8 n GLN 44 N -4.32 0.15 -1.06 3.45 1.13 0.12 -4.94 117.38 111.91 2kk8 n GLN 44 Ca -0.05 -0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 54.90 2kk8 n GLN 44 Cb 0.46 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.30 2kk8 n GLN 44 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2kk8 n HIS 45 N -1.34 0.00 -4.44 1.08 8.25 -0.07 -4.95 115.22 113.75 2kk8 n HIS 45 Ca 0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 2kk8 n HIS 45 Cb 0.34 -1.26 -0.11 0.00 1.12 0.00 0.00 29.99 30.08 2kk8 n HIS 45 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2kk8 s ILE 46 N -1.65 3.92 0.62 1.59 -4.36 -1.12 -4.99 121.20 115.21 2kk8 s ILE 46 Ca 0.00 -0.36 -0.18 0.00 -0.26 0.00 0.00 60.65 59.85 2kk8 s ILE 46 Cb 0.00 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 2kk8 s ILE 46 CO 0.00 0.53 0.95 -2.65 0.24 0.00 0.00 174.94 174.02 2kk8 n PRO 47 N 3.05 0.82 -0.27 0.37 -0.02 -1.26 -4.07 135.00 133.61 2kk8 n PRO 47 Ca -0.18 0.33 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 2kk8 n PRO 47 Cb 0.53 -2.17 0.22 0.00 -0.02 0.00 0.00 33.50 32.06 2kk8 n PRO 47 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2kk8 h VAL 48 N 0.36 0.60 0.00 -1.45 2.07 -1.95 0.20 116.25 116.08 2kk8 h VAL 48 Ca -0.48 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2kk8 h VAL 48 Cb 1.36 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2kk8 h VAL 48 CO 0.50 0.08 0.00 -0.24 0.02 0.00 0.00 177.57 177.93 2kk8 n SER 49 N -5.02 0.43 -1.20 0.57 2.88 -1.26 -2.44 113.62 107.58 2kk8 n SER 49 Ca 0.17 0.58 0.09 0.00 -1.33 0.00 0.00 58.87 58.38 2kk8 n SER 49 Cb 0.49 -0.68 0.28 0.00 -0.75 0.00 0.00 64.21 63.55 2kk8 n SER 49 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kk8 n LYS 50 N -1.95 3.17 -3.11 -1.46 5.02 0.68 -4.76 118.16 115.75 2kk8 n LYS 50 Ca 0.04 -2.61 -0.45 0.00 -2.02 0.00 0.00 58.31 53.27 2kk8 n LYS 50 Cb 0.27 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 33.60 2kk8 n LYS 50 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kk8 s GLN 51 N -1.51 3.25 -0.88 1.97 -0.21 -1.02 -0.70 119.66 120.55 2kk8 s GLN 51 Ca 0.42 -1.61 -0.24 0.00 0.02 0.00 0.00 55.36 53.96 2kk8 s GLN 51 Cb 0.26 -4.42 0.06 0.00 1.00 0.00 0.00 33.01 29.90 2kk8 s GLN 51 CO 0.23 -1.54 1.30 0.99 -2.12 0.00 0.00 175.29 174.15 2kk8 s THR 52 N 2.25 4.00 -0.90 -0.19 2.01 0.06 -4.95 115.64 117.92 2kk8 s THR 52 Ca 0.17 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 2kk8 s THR 52 Cb -0.18 -4.94 0.01 0.00 0.01 0.00 0.00 72.50 67.40 2kk8 s THR 52 CO 0.01 -1.81 1.62 -0.76 -0.69 0.00 0.00 174.62 172.98 2kk8 s LEU 53 N 4.85 3.33 -0.74 4.42 1.43 -1.26 -2.82 118.68 127.88 2kk8 s LEU 53 Ca 0.38 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2kk8 s LEU 53 Cb -0.05 -2.56 0.14 0.00 0.03 0.00 0.00 46.19 43.75 2kk8 s LEU 53 CO 0.00 -2.02 0.84 -0.63 0.23 0.00 0.00 176.35 174.77 2kk8 s ILE 54 N 7.05 4.98 -0.63 -0.59 1.01 -0.88 -0.15 121.20 131.98 2kk8 s ILE 54 Ca 0.54 -1.50 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 2kk8 s ILE 54 Cb -0.05 -4.57 0.12 0.00 0.01 0.00 0.00 42.46 37.98 2kk8 s ILE 54 CO -0.00 -1.21 0.70 -0.69 0.00 0.00 0.00 174.94 173.73 2kk8 s VAL 55 N 2.10 4.96 -1.70 2.92 1.01 0.46 -1.38 120.40 128.78 2kk8 s VAL 55 Ca 0.19 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2kk8 s VAL 55 Cb -0.15 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.75 2kk8 s VAL 55 CO -0.02 -1.10 0.00 -0.67 0.00 0.00 0.00 175.10 173.32 2kk8 n ASP 56 N 5.91 -5.34 0.00 3.32 2.03 0.20 -1.22 116.55 121.46 2kk8 n ASP 56 Ca -0.06 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2kk8 n ASP 56 Cb 0.43 -4.42 0.00 0.00 -0.72 0.00 0.00 41.12 36.41 2kk8 n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk8 n GLY 57 N -0.93 1.81 3.57 0.27 0.00 -1.26 -4.85 105.19 103.80 2kk8 n GLY 57 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2kk8 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kk8 s ILE 58 N -2.42 5.21 -0.12 -0.61 1.01 -0.35 -5.04 121.20 118.86 2kk8 s ILE 58 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 60.65 60.59 2kk8 s ILE 58 Cb 0.00 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2kk8 s ILE 58 CO 0.00 0.06 1.15 0.54 0.00 0.00 0.00 174.94 176.70 2kk8 s VAL 59 N 1.97 4.44 -0.67 2.92 0.11 -1.26 -0.40 120.40 127.50 2kk8 s VAL 59 Ca 0.12 1.74 -0.26 0.00 -2.93 0.00 0.00 61.98 60.64 2kk8 s VAL 59 Cb -0.16 -4.12 0.04 0.00 -1.53 0.00 0.00 36.38 30.61 2kk8 s VAL 59 CO 0.11 -0.07 1.16 -0.63 -3.33 0.00 0.00 175.10 172.35 2kk8 s ILE 60 N 2.68 3.97 -2.46 7.04 -1.09 0.79 -4.81 121.20 127.33 2kk8 s ILE 60 Ca 0.52 0.34 0.24 0.00 -2.23 0.00 0.00 60.65 59.52 2kk8 s ILE 60 Cb -0.21 -4.79 0.45 0.00 -1.58 0.00 0.00 42.46 36.32 2kk8 s ILE 60 CO 0.16 -1.60 1.55 0.18 -1.23 0.00 0.00 174.94 174.01 2kk8 n LEU 61 N 8.65 2.05 -4.71 2.97 4.77 -1.26 -4.59 117.00 124.89 2kk8 n LEU 61 Ca 0.03 -0.79 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 2kk8 n LEU 61 Cb 0.48 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2kk8 n LEU 61 CO 0.69 0.40 0.20 -0.13 -1.33 0.00 0.00 177.39 177.21 2kk8 s ARG 62 N -1.83 4.32 0.00 3.23 1.81 -1.26 -4.89 118.95 120.32 2kk8 s ARG 62 Ca 0.34 0.47 0.00 0.00 -1.72 0.00 0.00 55.73 54.82 2kk8 s ARG 62 Cb 0.20 -3.46 0.00 0.00 -0.45 0.00 0.00 34.95 31.24 2kk8 s ARG 62 CO 0.30 0.09 0.00 0.39 -0.68 0.00 0.00 175.30 175.40 2kk8 n GLU 63 N 3.89 2.86 0.00 3.54 1.02 -1.26 -4.70 120.64 125.99 2kk8 n GLU 63 Ca -0.06 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.21 2kk8 n GLU 63 Cb 0.51 -0.75 0.47 0.00 -0.02 0.00 0.00 31.44 31.65 2kk8 n GLU 63 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2kk8 n ASP 64 N -1.16 0.51 -4.81 1.62 5.75 -1.26 -2.96 116.55 114.23 2kk8 n ASP 64 Ca 0.00 -0.37 -0.22 0.00 -0.01 0.00 0.00 54.79 54.18 2kk8 n ASP 64 Cb 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 2kk8 n ASP 64 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2kk8 s LEU 65 N -2.71 3.29 0.52 -2.12 1.43 -1.26 -4.95 118.68 112.88 2kk8 s LEU 65 Ca 0.21 -0.85 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 2kk8 s LEU 65 Cb 0.19 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.64 2kk8 s LEU 65 CO 0.55 -0.56 0.55 0.42 0.23 0.00 0.00 176.35 177.54 2kk8 s THR 66 N -2.50 2.15 0.13 5.49 -4.23 -1.26 -0.51 115.64 114.91 2kk8 s THR 66 Ca 0.44 -1.25 -0.16 0.00 -1.18 0.00 0.00 61.69 59.54 2kk8 s THR 66 Cb -0.01 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.41 2kk8 s THR 66 CO 0.25 0.00 1.67 0.58 -0.54 0.00 0.00 174.62 176.58 2kk8 h VAL 67 N 0.60 1.20 -0.27 2.29 2.07 -1.33 -2.68 116.25 118.13 2kk8 h VAL 67 Ca -0.36 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2kk8 h VAL 67 Cb 1.29 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2kk8 h VAL 67 CO 0.51 0.22 0.17 -0.08 0.02 0.00 0.00 177.57 178.40 2kk8 h GLU 68 N 0.45 0.37 0.00 1.57 4.81 -1.43 -1.38 114.58 118.98 2kk8 h GLU 68 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2kk8 h GLU 68 Cb 0.20 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2kk8 h GLU 68 CO -0.01 0.29 0.00 0.94 -0.73 0.00 0.00 179.01 179.50 2kk8 n GLN 69 N -4.87 0.40 0.00 1.92 7.27 -1.19 -1.78 117.38 119.13 2kk8 n GLN 69 Ca -0.02 0.04 0.05 0.00 0.07 0.00 0.00 57.00 57.14 2kk8 n GLN 69 Cb 0.05 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.18 2kk8 n GLN 69 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kk8 n GLN 71 N -0.67 -4.91 -2.65 0.00 1.13 -0.58 -4.96 117.38 104.74 2kk8 n GLN 71 Ca 0.03 0.84 -0.42 0.00 -1.94 0.00 0.00 57.00 55.50 2kk8 n GLN 71 Cb 0.18 -5.57 -0.03 0.00 0.11 0.00 0.00 30.24 24.93 2kk8 n GLN 71 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2kk8 s ILE 72 N -3.16 4.70 0.15 5.09 1.01 -0.84 -5.05 121.20 123.10 2kk8 s ILE 72 Ca 0.31 1.95 0.06 0.00 0.00 0.00 0.00 60.65 62.98 2kk8 s ILE 72 Cb -0.14 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2kk8 s ILE 72 CO 0.39 0.11 0.02 0.68 0.00 0.00 0.00 174.94 176.14 2kk8 s VAL 73 N 1.33 3.93 -0.26 2.92 -7.23 -1.26 -4.85 120.40 114.97 2kk8 s VAL 73 Ca 0.52 -1.24 0.28 0.00 -1.81 0.00 0.00 61.98 59.73 2kk8 s VAL 73 Cb -0.22 -2.95 0.33 0.00 0.56 0.00 0.00 36.38 34.11 2kk8 s VAL 73 CO 0.25 -0.04 1.81 1.55 -0.31 0.00 0.00 175.10 178.37 2kk8 h PRO 74 N 2.87 0.00 -3.87 4.82 0.13 -1.97 -3.37 132.00 130.61 2kk8 h PRO 74 Ca -0.47 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.93 2kk8 h PRO 74 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2kk8 h PRO 74 CO 0.59 0.00 2.57 2.41 -0.23 0.00 0.00 178.00 183.34 2kk8 n THR 75 N -2.78 3.88 -3.68 1.56 -1.04 -1.26 -4.80 114.28 106.17 2kk8 n THR 75 Ca 0.02 -3.71 -0.10 0.00 -2.04 0.00 0.00 64.05 58.23 2kk8 n THR 75 Cb 0.35 -2.49 -0.04 0.00 -1.82 0.00 0.00 70.33 66.34 2kk8 n THR 75 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kk8 s SER 76 N 2.20 -0.29 -0.76 8.00 0.01 -1.26 -5.09 113.70 116.51 2kk8 s SER 76 Ca 0.44 -0.39 -0.26 0.00 1.31 0.00 0.00 55.95 57.05 2kk8 s SER 76 Cb 0.11 0.56 0.02 0.00 0.21 0.00 0.00 66.02 66.92 2kk8 s SER 76 CO -0.04 -1.00 1.46 -0.62 0.41 0.00 0.00 173.24 173.45 2kk8 s ASP 77 N -2.84 5.97 -0.65 2.44 2.15 -1.26 -4.78 116.67 117.69 2kk8 s ASP 77 Ca 0.07 -0.44 -0.16 0.00 0.43 0.00 0.00 52.55 52.45 2kk8 s ASP 77 Cb -0.00 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.22 2kk8 s ASP 77 CO -0.06 -1.95 0.62 -0.63 -0.17 0.00 0.00 175.17 172.98 2kk8 s ILE 78 N 6.56 5.28 -0.18 4.11 1.01 -1.26 0.60 121.20 137.33 2kk8 s ILE 78 Ca 0.45 -1.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.29 2kk8 s ILE 78 Cb -0.08 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 2kk8 s ILE 78 CO 0.12 -0.97 0.01 -1.10 0.00 0.00 0.00 174.94 173.00 2kk8 s GLN 79 N 1.30 3.78 -0.27 2.79 -1.52 -0.48 -2.73 119.66 122.53 2kk8 s GLN 79 Ca 0.09 -0.45 -0.10 0.00 -1.95 0.00 0.00 55.36 52.95 2kk8 s GLN 79 Cb -0.22 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.44 2kk8 s GLN 79 CO -0.01 0.19 0.16 -0.51 -0.25 0.00 0.00 175.29 174.88 2kk8 s LEU 80 N 0.53 3.93 -0.04 2.90 1.43 0.17 -2.08 118.68 125.53 2kk8 s LEU 80 Ca -0.00 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2kk8 s LEU 80 Cb -0.14 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2kk8 s LEU 80 CO 0.02 -0.03 -0.19 -0.70 0.23 0.00 0.00 176.35 175.68 2kk8 s GLU 81 N 1.62 2.33 -0.15 1.70 2.12 -1.13 -1.08 118.70 124.11 2kk8 s GLU 81 Ca 0.07 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.31 2kk8 s GLU 81 Cb -0.15 -2.24 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 2kk8 s GLU 81 CO 0.09 0.60 1.13 0.54 -0.54 0.00 0.00 175.26 177.07 2kk8 s VAL 82 N -0.69 4.51 -0.63 3.70 0.11 -1.25 -0.76 120.40 125.39 2kk8 s VAL 82 Ca 0.11 1.81 -0.26 0.00 -2.93 0.00 0.00 61.98 60.71 2kk8 s VAL 82 Cb -0.10 -4.17 -0.04 0.00 -1.53 0.00 0.00 36.38 30.54 2kk8 s VAL 82 CO 0.00 -0.09 2.03 -0.44 -3.33 0.00 0.00 175.10 173.27 2kk8 s SER 83 N 1.44 4.98 0.00 3.54 0.01 0.12 -4.93 113.70 118.86 2kk8 s SER 83 Ca 0.50 0.39 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2kk8 s SER 83 Cb -0.19 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2kk8 s SER 83 CO 0.14 -2.62 0.00 -1.20 0.41 0.00 0.00 173.24 169.97