#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s GLN 2 N 0.00 3.38 -0.23 3.17 -1.52 -1.26 -1.16 119.66 122.03 1k73 s GLN 2 Ca 0.00 -0.66 -0.16 0.00 -1.95 0.00 0.00 55.36 52.59 1k73 s GLN 2 Cb 0.00 -2.91 0.07 0.00 -0.22 0.00 0.00 33.01 29.94 1k73 s GLN 2 CO 0.00 0.50 0.59 1.41 -0.25 0.00 0.00 175.29 177.54 1k73 s MET 3 N -3.36 0.62 0.31 2.91 -2.45 0.21 -4.88 119.30 112.67 1k73 s MET 3 Ca 0.34 1.00 -0.29 0.00 -1.25 0.00 0.00 55.69 55.49 1k73 s MET 3 Cb -0.11 0.15 -0.11 0.00 1.25 0.00 0.00 34.83 36.02 1k73 s MET 3 CO 0.28 -0.13 1.44 -1.25 1.05 0.00 0.00 175.02 176.40 1k73 s PRO 4 N 1.19 4.23 0.31 4.11 0.04 -1.26 -0.32 135.00 143.30 1k73 s PRO 4 Ca -0.07 2.39 0.03 0.00 0.04 0.00 0.00 61.00 63.39 1k73 s PRO 4 Cb -0.06 -3.05 0.51 0.00 0.04 0.00 0.00 34.50 31.94 1k73 s PRO 4 CO -0.12 -0.41 1.80 -0.09 0.04 0.00 0.00 177.00 178.22 1k73 h ARG 5 N 4.00 0.51 -4.95 4.56 9.65 -1.82 -3.44 114.38 122.89 1k73 h ARG 5 Ca -0.48 -0.14 -0.38 0.00 -1.10 0.00 0.00 59.98 57.87 1k73 h ARG 5 Cb 1.23 -0.05 -0.24 0.00 -1.39 0.00 0.00 29.97 29.51 1k73 h ARG 5 CO 0.71 0.62 -0.77 1.03 2.80 0.00 0.00 179.97 184.36 1k73 s ARG 6 N -4.75 0.74 -0.12 0.20 0.52 -1.26 -0.64 118.95 113.64 1k73 s ARG 6 Ca -0.07 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 1k73 s ARG 6 Cb 0.15 -0.68 0.12 0.00 0.52 0.00 0.00 34.95 35.06 1k73 s ARG 6 CO 0.78 0.16 0.99 -0.59 0.02 0.00 0.00 175.30 176.67 1k73 s PHE 7 N -0.87 -0.33 0.26 -0.53 -0.12 -0.80 -4.97 117.98 110.62 1k73 s PHE 7 Ca -0.01 0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 57.02 1k73 s PHE 7 Cb -0.07 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.70 1k73 s PHE 7 CO 0.01 -0.38 1.05 -0.80 -0.05 0.00 0.00 175.22 175.06 1k73 s ASN 8 N -1.58 7.37 -0.02 1.98 0.01 -1.26 -1.04 114.94 120.41 1k73 s ASN 8 Ca 0.01 2.16 -0.30 0.00 -0.71 0.00 0.00 52.86 54.03 1k73 s ASN 8 Cb -0.01 -2.62 0.11 0.00 0.41 0.00 0.00 41.25 39.14 1k73 s ASN 8 CO -0.02 -0.07 1.15 0.28 -1.51 0.00 0.00 177.10 176.93 1k73 s THR 9 N -1.08 0.00 0.29 1.60 -1.32 -0.84 -4.93 115.64 109.37 1k73 s THR 9 Ca 0.44 -0.23 -0.30 0.00 -1.21 0.00 0.00 61.69 60.39 1k73 s THR 9 Cb -0.30 -1.62 -0.11 0.00 -1.51 0.00 0.00 72.50 68.96 1k73 s THR 9 CO 0.38 0.00 1.50 -0.47 -2.21 0.00 0.00 174.62 173.82 1k73 s TYR 10 N -2.70 2.84 -0.30 9.09 5.04 -1.26 -2.10 117.35 127.96 1k73 s TYR 10 Ca 0.11 0.98 -0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1k73 s TYR 10 Cb 0.01 -3.94 0.03 0.00 0.35 0.00 0.00 41.96 38.41 1k73 s TYR 10 CO -0.03 -3.03 0.05 0.00 -1.34 0.00 0.00 175.55 171.19 1k73 n PRO 12 N 4.78 0.09 -0.08 0.00 -0.04 -1.26 0.69 135.00 139.16 1k73 n PRO 12 Ca -0.14 0.53 -0.09 0.00 -0.04 0.00 0.00 63.50 63.76 1k73 n PRO 12 Cb 0.46 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1k73 n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1k73 n HIS 13 N -1.93 0.67 0.03 0.54 8.25 -1.26 -4.24 115.22 117.28 1k73 n HIS 13 Ca -0.00 0.29 0.04 0.00 -0.26 0.00 0.00 57.72 57.79 1k73 n HIS 13 Cb 0.06 -0.75 0.43 0.00 1.12 0.00 0.00 29.99 30.85 1k73 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1k73 n ASN 15 N -4.46 -2.97 -3.57 0.00 2.85 0.22 -5.02 115.26 102.31 1k73 n ASN 15 Ca 0.02 -0.10 -0.09 0.00 -0.11 0.00 0.00 54.58 54.30 1k73 n ASN 15 Cb 0.09 -1.78 -0.04 0.00 1.24 0.00 0.00 39.78 39.28 1k73 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1k73 s GLU 16 N -5.01 0.58 0.28 1.20 -1.05 -1.18 -4.96 118.70 108.56 1k73 s GLU 16 Ca 0.11 0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.64 1k73 s GLU 16 Cb -0.05 0.27 -0.11 0.00 -0.44 0.00 0.00 34.13 33.80 1k73 s GLU 16 CO 0.14 -0.21 1.58 -1.01 0.95 0.00 0.00 175.26 176.71 1k73 s HIS 17 N -1.68 2.79 0.21 4.83 3.76 -1.26 -2.88 115.29 121.06 1k73 s HIS 17 Ca 0.01 0.79 -0.20 0.00 -0.15 0.00 0.00 55.06 55.52 1k73 s HIS 17 Cb -0.01 -4.04 0.04 0.00 1.11 0.00 0.00 32.58 29.68 1k73 s HIS 17 CO -0.02 -3.51 0.61 -0.65 -0.85 0.00 0.00 174.74 170.32 1k73 s GLN 18 N -0.43 1.48 0.05 1.40 -0.21 -0.89 -4.91 119.66 116.14 1k73 s GLN 18 Ca 0.63 -0.79 -0.31 0.00 0.02 0.00 0.00 55.36 54.91 1k73 s GLN 18 Cb -0.47 0.57 -0.06 0.00 1.00 0.00 0.00 33.01 34.04 1k73 s GLN 18 CO 0.47 -0.65 1.35 -2.00 -2.12 0.00 0.00 175.29 172.33 1k73 s GLU 19 N -3.85 4.33 0.26 2.91 2.12 -1.26 -1.98 118.70 121.23 1k73 s GLU 19 Ca 0.07 1.95 0.10 0.00 0.36 0.00 0.00 54.97 57.45 1k73 s GLU 19 Cb -0.03 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1k73 s GLU 19 CO -0.03 -0.46 -0.02 -1.01 -0.54 0.00 0.00 175.26 173.21 1k73 s HIS 20 N 1.67 2.68 -0.08 5.30 3.76 -0.21 -0.13 115.29 128.28 1k73 s HIS 20 Ca 0.63 -0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 1k73 s HIS 20 Cb -0.33 -1.19 -0.00 0.00 1.11 0.00 0.00 32.58 32.17 1k73 s HIS 20 CO 0.28 0.62 -0.24 -2.00 -0.85 0.00 0.00 174.74 172.56 1k73 s GLU 21 N -3.64 2.79 -0.18 1.40 2.12 0.57 -1.90 118.70 119.86 1k73 s GLU 21 Ca 0.31 -0.86 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 1k73 s GLU 21 Cb -0.06 -2.19 -0.05 0.00 0.26 0.00 0.00 34.13 32.08 1k73 s GLU 21 CO 0.20 0.24 0.13 0.08 -0.54 0.00 0.00 175.26 175.37 1k73 s VAL 22 N 0.18 5.42 0.02 3.70 1.01 0.19 -0.56 120.40 130.36 1k73 s VAL 22 Ca -0.13 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1k73 s VAL 22 Cb -0.16 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1k73 s VAL 22 CO 0.07 0.49 -0.02 -0.70 0.00 0.00 0.00 175.10 174.93 1k73 s GLU 23 N 0.01 0.24 0.09 2.72 2.12 -0.69 -4.90 118.70 118.28 1k73 s GLU 23 Ca 0.10 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1k73 s GLU 23 Cb -0.11 0.06 -0.05 0.00 0.26 0.00 0.00 34.13 34.29 1k73 s GLU 23 CO -0.00 -0.03 1.00 0.15 -0.54 0.00 0.00 175.26 175.83 1k73 s LYS 24 N -1.06 4.63 -0.15 4.30 1.02 -1.26 -0.23 119.74 126.99 1k73 s LYS 24 Ca -0.11 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.08 1k73 s LYS 24 Cb -0.07 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1k73 s LYS 24 CO -0.01 0.10 1.93 0.08 -0.92 0.00 0.00 175.35 176.53 1k73 s VAL 25 N 0.29 3.26 0.08 3.17 1.01 -0.68 -4.89 120.40 122.65 1k73 s VAL 25 Ca 0.49 0.30 -0.28 0.00 0.00 0.00 0.00 61.98 62.49 1k73 s VAL 25 Cb -0.24 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1k73 s VAL 25 CO 0.30 -0.12 0.89 -0.13 0.00 0.00 0.00 175.10 176.04 1k73 s ARG 26 N 5.21 4.62 0.34 2.72 0.52 -1.26 -5.01 118.95 126.09 1k73 s ARG 26 Ca 0.86 1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 57.10 1k73 s ARG 26 Cb -0.33 -3.37 -0.11 0.00 0.52 0.00 0.00 34.95 31.66 1k73 s ARG 26 CO 0.35 0.23 1.46 -1.12 0.02 0.00 0.00 175.30 176.23 1k73 s SER 27 N 0.01 6.49 0.31 0.23 0.01 -1.26 -4.99 113.70 114.50 1k73 s SER 27 Ca 0.44 2.90 -0.10 0.00 1.31 0.00 0.00 55.95 60.50 1k73 s SER 27 Cb -0.22 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.28 1k73 s SER 27 CO 0.27 -0.78 0.66 -0.83 0.41 0.00 0.00 173.24 172.97 1k73 s GLY 28 N -0.06 2.13 0.24 3.44 0.00 -1.26 -5.05 107.32 106.76 1k73 s GLY 28 Ca 0.54 -0.22 -0.23 0.00 0.00 0.00 0.00 44.72 44.81 1k73 s GLY 28 CO 0.56 -0.06 0.82 -1.60 0.00 0.00 0.00 173.10 172.82 1k73 s ARG 29 N -3.27 4.46 0.36 2.90 3.52 -1.26 -5.05 118.95 120.60 1k73 s ARG 29 Ca 0.50 1.11 -0.20 0.00 -0.13 0.00 0.00 55.73 57.00 1k73 s ARG 29 Cb -0.11 -2.96 -0.10 0.00 -1.56 0.00 0.00 34.95 30.23 1k73 s ARG 29 CO 0.24 0.40 0.86 -0.65 -0.81 0.00 0.00 175.30 175.35 1k73 s GLN 30 N -1.78 4.23 0.07 5.12 -0.21 -1.26 -4.98 119.66 120.85 1k73 s GLN 30 Ca 0.44 1.00 0.20 0.00 0.02 0.00 0.00 55.36 57.01 1k73 s GLN 30 Cb -0.19 -2.44 -0.13 0.00 1.00 0.00 0.00 33.01 31.25 1k73 s GLN 30 CO 0.24 0.13 0.78 0.25 -2.12 0.00 0.00 175.29 174.56 1k73 n THR 31 N -0.20 0.83 -1.58 -0.19 -2.24 -1.26 -4.97 114.28 104.66 1k73 n THR 31 Ca 0.04 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 61.11 1k73 n THR 31 Cb 0.53 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 1k73 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k73 n GLY 32 N 1.33 0.65 0.04 3.38 0.00 -1.26 -4.88 105.19 104.45 1k73 n GLY 32 Ca -0.07 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.34 1k73 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1k73 n MET 33 N -2.40 1.95 -1.56 1.61 2.81 -1.26 -4.83 117.12 113.44 1k73 n MET 33 Ca -0.09 -1.42 -0.29 0.00 -1.81 0.00 0.00 57.70 54.09 1k73 n MET 33 Cb 0.38 -0.94 0.11 0.00 -0.71 0.00 0.00 33.22 32.06 1k73 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1k73 s LYS 34 N -1.01 1.70 0.17 0.03 3.01 -1.26 -4.87 119.74 117.51 1k73 s LYS 34 Ca 0.05 0.48 -0.15 0.00 -1.01 0.00 0.00 55.97 55.34 1k73 s LYS 34 Cb 0.04 -1.89 0.10 0.00 -1.01 0.00 0.00 37.83 35.07 1k73 s LYS 34 CO 0.00 -1.85 1.77 2.35 0.51 0.00 0.00 175.35 178.14 1k73 h TRP 35 N -1.25 0.36 -0.79 3.18 7.01 -2.00 -1.34 115.95 121.13 1k73 h TRP 35 Ca -0.48 0.02 0.07 0.00 2.11 0.00 0.00 58.89 60.61 1k73 h TRP 35 Cb 1.30 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 28.21 1k73 h TRP 35 CO 0.39 0.17 0.52 0.97 -2.79 0.00 0.00 178.44 177.70 1k73 h ILE 36 N 0.40 1.01 -0.60 2.65 6.09 -1.99 0.25 117.51 125.34 1k73 h ILE 36 Ca 0.19 -0.28 -0.05 0.00 -1.37 0.00 0.00 64.86 63.35 1k73 h ILE 36 Cb 0.13 0.12 -0.03 0.00 0.47 0.00 0.00 36.82 37.51 1k73 h ILE 36 CO -0.16 0.15 0.16 0.44 -3.07 0.00 0.00 178.15 175.67 1k73 h ASP 37 N 0.82 0.86 0.41 2.19 3.32 -1.60 -1.72 116.42 120.70 1k73 h ASP 37 Ca 0.35 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1k73 h ASP 37 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1k73 h ASP 37 CO -0.13 0.83 -0.66 0.03 -1.72 0.00 0.00 179.24 177.59 1k73 h ARG 38 N 0.88 0.23 -0.01 3.56 3.08 -0.81 -2.93 114.38 118.38 1k73 h ARG 38 Ca 0.19 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 1k73 h ARG 38 Cb 0.30 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1k73 h ARG 38 CO -0.00 0.81 -0.54 0.37 -1.07 0.00 0.00 179.97 179.54 1k73 h GLN 39 N 0.17 0.04 -0.08 0.04 4.15 -0.51 0.48 115.11 119.39 1k73 h GLN 39 Ca -0.01 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1k73 h GLN 39 Cb 1.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1k73 h GLN 39 CO 0.10 0.57 -0.01 -0.09 -1.93 0.00 0.00 178.83 177.47 1k73 h ARG 40 N 0.03 0.15 0.12 1.69 2.43 -1.23 0.49 114.38 118.06 1k73 h ARG 40 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1k73 h ARG 40 Cb 0.96 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1k73 h ARG 40 CO 0.07 0.44 -0.06 0.93 -1.51 0.00 0.00 179.97 179.85 1k73 h GLU 41 N -0.15 -0.15 0.07 0.20 5.08 -1.36 -2.20 114.58 116.06 1k73 h GLU 41 Ca 0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1k73 h GLU 41 Cb 0.38 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1k73 h GLU 41 CO 0.01 -0.01 -0.29 -0.09 -1.00 0.00 0.00 179.01 177.62 1k73 h ARG 42 N -0.26 -0.46 0.00 2.33 2.43 -0.81 -3.17 114.38 114.44 1k73 h ARG 42 Ca -0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1k73 h ARG 42 Cb 0.21 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1k73 h ARG 42 CO 0.03 -0.31 0.00 0.09 -1.51 0.00 0.00 179.97 178.27 1k73 n ASN 43 N -5.40 0.27 -4.68 -3.80 4.13 0.16 -4.82 115.26 101.12 1k73 n ASN 43 Ca -0.06 0.53 -0.42 0.00 1.68 0.00 0.00 54.58 56.30 1k73 n ASN 43 Cb 0.31 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 1k73 n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1k73 s SER 44 N -3.51 7.17 0.00 6.41 0.01 -0.83 -4.96 113.70 117.99 1k73 s SER 44 Ca 0.13 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1k73 s SER 44 Cb 0.17 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1k73 s SER 44 CO 0.55 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1k73 n GLY 45 N 3.20 5.25 3.75 3.44 0.00 -1.26 -4.99 105.19 114.57 1k73 n GLY 45 Ca 0.09 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1k73 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k73 s ILE 46 N 1.24 3.08 0.00 -0.61 1.01 -1.26 -4.80 121.20 119.86 1k73 s ILE 46 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1k73 s ILE 46 Cb 0.00 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1k73 s ILE 46 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1k73 n GLY 47 N 1.83 -1.76 3.66 6.18 0.00 -1.26 -4.89 105.19 108.95 1k73 n GLY 47 Ca 0.04 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1k73 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k73 n ASN 48 N 0.33 1.99 -1.68 1.61 5.15 -1.26 -4.93 115.26 116.47 1k73 n ASN 48 Ca 0.00 1.07 -0.13 0.00 -0.60 0.00 0.00 54.58 54.92 1k73 n ASN 48 Cb 0.00 -1.44 0.20 0.00 -0.53 0.00 0.00 39.78 38.01 1k73 n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1k73 n ASP 49 N 0.31 3.15 0.00 1.20 8.00 -1.26 -4.82 116.55 123.12 1k73 n ASP 49 Ca 0.08 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.90 1k73 n ASP 49 Cb 0.39 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1k73 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k73 n GLY 50 N -1.09 3.48 0.37 0.44 0.00 -1.26 -1.82 105.19 105.31 1k73 n GLY 50 Ca 0.45 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1k73 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k73 h LYS 51 N 0.00 0.55 0.00 1.61 2.10 -2.00 -1.35 116.57 117.48 1k73 h LYS 51 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1k73 h LYS 51 Cb 0.00 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 1k73 h LYS 51 CO 0.00 0.36 0.00 1.19 -2.00 0.00 0.00 179.45 179.00 1k73 n PHE 52 N -4.52 0.00 0.55 0.07 3.01 -0.76 -2.02 117.46 113.79 1k73 n PHE 52 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.70 1k73 n PHE 52 Cb 0.48 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.06 1k73 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1k73 n SER 53 N -0.74 2.63 -4.91 4.37 7.64 -0.51 -4.91 113.62 117.20 1k73 n SER 53 Ca 0.08 -1.77 -0.28 0.00 1.01 0.00 0.00 58.87 57.91 1k73 n SER 53 Cb 0.04 -0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 1k73 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k73 s LYS 54 N -1.37 2.92 0.05 1.43 1.02 -0.86 -5.01 119.74 117.92 1k73 s LYS 54 Ca 0.23 0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.42 1k73 s LYS 54 Cb 0.15 -2.19 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 1k73 s LYS 54 CO 0.22 -0.80 -0.11 0.14 -0.92 0.00 0.00 175.35 173.88 1k73 s VAL 55 N -3.11 0.84 -0.04 3.17 -7.23 -1.26 -5.10 120.40 107.66 1k73 s VAL 55 Ca 0.55 -1.07 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1k73 s VAL 55 Cb -0.11 -0.82 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 1k73 s VAL 55 CO 0.47 -0.21 0.15 -2.65 -0.31 0.00 0.00 175.10 172.56 1k73 n PRO 56 N 1.61 0.00 0.00 4.82 -0.02 -1.26 -4.94 135.00 135.22 1k73 n PRO 56 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1k73 n PRO 56 Cb 0.55 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 1k73 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k73 n GLY 57 N 0.47 -0.61 0.00 -1.23 0.00 -1.26 -5.01 105.19 97.55 1k73 n GLY 57 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1k73 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 58 N -0.22 -0.60 2.95 -0.02 0.00 -1.26 -5.16 105.19 100.88 1k73 n GLY 58 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1k73 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k73 s ASP 59 N -4.00 0.39 0.24 1.61 1.01 -1.26 -5.14 116.67 109.53 1k73 s ASP 59 Ca 0.00 -0.23 -0.14 0.00 0.71 0.00 0.00 52.55 52.88 1k73 s ASP 59 Cb 0.00 0.01 -0.08 0.00 1.01 0.00 0.00 42.92 43.86 1k73 s ASP 59 CO 0.00 -0.08 0.64 -0.75 0.21 0.00 0.00 175.17 175.19 1k73 s LYS 60 N -0.63 3.99 0.51 8.23 2.47 -1.26 -4.97 119.74 128.08 1k73 s LYS 60 Ca -0.05 0.56 0.24 0.00 -1.56 0.00 0.00 55.97 55.17 1k73 s LYS 60 Cb -0.05 -2.69 1.33 0.00 -1.46 0.00 0.00 37.83 34.97 1k73 s LYS 60 CO -0.00 0.32 1.95 -1.00 0.16 0.00 0.00 175.35 176.78 1k73 h PRO 61 N 2.85 0.10 -3.33 4.03 0.13 -2.06 -3.41 132.00 130.31 1k73 h PRO 61 Ca -0.48 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1k73 h PRO 61 Cb 1.18 -0.02 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 1k73 h PRO 61 CO 0.66 0.07 -0.55 0.99 -0.23 0.00 0.00 178.00 178.94 1k73 s THR 62 N -5.10 -0.01 0.30 1.56 2.01 -1.26 -5.03 115.64 108.11 1k73 s THR 62 Ca -0.06 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1k73 s THR 62 Cb 0.20 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.45 1k73 s THR 62 CO 0.75 0.02 0.48 -0.54 -0.69 0.00 0.00 174.62 174.64 1k73 s LYS 63 N 0.37 3.47 0.62 4.92 -0.14 -1.26 -4.88 119.74 122.84 1k73 s LYS 63 Ca -0.02 -0.47 -0.08 0.00 -1.36 0.00 0.00 55.97 54.03 1k73 s LYS 63 Cb -0.04 -2.75 -0.00 0.00 -1.68 0.00 0.00 37.83 33.36 1k73 s LYS 63 CO -0.02 0.26 0.96 0.15 -0.76 0.00 0.00 175.35 175.94 1k73 s LYS 64 N -4.14 3.06 0.15 1.68 1.02 -1.26 -2.41 119.74 117.83 1k73 s LYS 64 Ca 0.38 0.26 -0.31 0.00 0.02 0.00 0.00 55.97 56.31 1k73 s LYS 64 Cb -0.09 -2.18 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 1k73 s LYS 64 CO 0.33 -0.73 1.50 0.99 -0.92 0.00 0.00 175.35 176.52 1k73 s THR 65 N -3.10 2.89 -0.58 2.17 2.01 -0.45 -4.82 115.64 113.77 1k73 s THR 65 Ca 0.54 0.64 0.04 0.00 0.31 0.00 0.00 61.69 63.23 1k73 s THR 65 Cb -0.11 -3.41 0.15 0.00 0.01 0.00 0.00 72.50 69.14 1k73 s THR 65 CO 0.48 0.05 0.34 -0.62 -0.69 0.00 0.00 174.62 174.19 1k73 s ASP 66 N 1.12 4.40 0.30 3.53 2.15 -1.26 -4.07 116.67 122.84 1k73 s ASP 66 Ca 0.68 -3.30 0.08 0.00 0.43 0.00 0.00 52.55 50.45 1k73 s ASP 66 Cb -0.41 -1.58 -0.06 0.00 -0.30 0.00 0.00 42.92 40.58 1k73 s ASP 66 CO 0.31 -0.18 -0.10 -0.76 -0.17 0.00 0.00 175.17 174.27 1k73 s LEU 67 N -0.67 2.59 -0.07 -1.34 1.43 -1.26 -1.69 118.68 117.67 1k73 s LEU 67 Ca 0.20 -1.16 0.05 0.00 -1.03 0.00 0.00 54.13 52.19 1k73 s LEU 67 Cb -0.18 -0.82 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 1k73 s LEU 67 CO -0.06 -0.23 -0.24 -0.54 0.23 0.00 0.00 176.35 175.50 1k73 s LYS 68 N -3.65 2.72 -0.34 1.70 1.02 0.68 -4.52 119.74 117.35 1k73 s LYS 68 Ca 0.30 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.35 1k73 s LYS 68 Cb 0.02 -2.19 0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1k73 s LYS 68 CO 0.13 0.29 0.10 0.71 -0.92 0.00 0.00 175.35 175.66 1k73 s TYR 69 N 0.06 3.26 -0.25 3.18 1.51 -0.80 -1.71 117.35 122.59 1k73 s TYR 69 Ca -0.10 -1.46 -0.09 0.00 -1.01 0.00 0.00 57.07 54.41 1k73 s TYR 69 Cb -0.15 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 1k73 s TYR 69 CO 0.06 -0.74 0.11 1.03 -1.11 0.00 0.00 175.55 174.91 1k73 s ARG 70 N 1.39 3.81 0.16 -0.62 0.52 0.27 -0.94 118.95 123.54 1k73 s ARG 70 Ca -0.02 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.48 1k73 s ARG 70 Cb -0.20 -3.43 -0.10 0.00 0.52 0.00 0.00 34.95 31.74 1k73 s ARG 70 CO 0.03 -0.12 1.65 0.00 0.02 0.00 0.00 175.30 176.88 1k73 n GLY 72 N 3.91 -1.07 0.00 0.00 0.00 0.82 -1.80 105.19 107.05 1k73 n GLY 72 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1k73 n GLY 72 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k73 n GLU 73 N -1.39 2.74 0.00 1.61 2.13 -1.26 -4.69 120.64 119.78 1k73 n GLU 73 Ca 0.07 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.00 1k73 n GLU 73 Cb 0.20 -1.00 -0.11 0.00 0.27 0.00 0.00 31.44 30.80 1k73 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1k73 n GLY 75 N 1.49 0.93 3.74 0.00 0.00 -0.74 -4.99 105.19 105.62 1k73 n GLY 75 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1k73 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k73 s LYS 76 N -0.29 4.54 0.37 1.61 1.02 -1.26 -4.65 119.74 121.07 1k73 s LYS 76 Ca 0.00 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.18 1k73 s LYS 76 Cb 0.00 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1k73 s LYS 76 CO 0.00 0.23 0.53 0.00 -0.92 0.00 0.00 175.35 175.19 1k73 s ALA 77 N 0.09 4.05 0.06 5.17 0.00 -1.26 -2.13 121.76 127.73 1k73 s ALA 77 Ca 0.41 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1k73 s ALA 77 Cb -0.21 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1k73 s ALA 77 CO 0.24 -0.13 0.15 -3.38 0.00 0.00 0.00 175.76 172.64 1k73 s HIS 78 N -2.29 0.16 0.15 0.00 -3.43 -0.12 -4.96 115.29 104.80 1k73 s HIS 78 Ca 0.45 -0.49 0.05 0.00 -0.80 0.00 0.00 55.06 54.27 1k73 s HIS 78 Cb -0.10 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1k73 s HIS 78 CO 0.33 -0.45 0.10 -0.51 -2.00 0.00 0.00 174.74 172.22 1k73 s LEU 79 N -2.41 3.72 0.19 5.38 1.43 -1.26 -1.90 118.68 123.84 1k73 s LEU 79 Ca -0.01 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1k73 s LEU 79 Cb 0.02 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1k73 s LEU 79 CO -0.07 0.09 0.03 -0.13 0.23 0.00 0.00 176.35 176.51 1k73 s ARG 80 N -2.94 1.19 0.59 1.70 0.52 -1.26 -5.04 118.95 113.70 1k73 s ARG 80 Ca 0.30 -1.59 -0.20 0.00 -0.52 0.00 0.00 55.73 53.72 1k73 s ARG 80 Cb -0.10 -0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 1k73 s ARG 80 CO 0.22 -0.19 1.31 -1.21 0.02 0.00 0.00 175.30 175.46 1k73 s GLU 81 N -3.96 2.89 0.45 3.54 2.02 -1.26 -4.86 118.70 117.53 1k73 s GLU 81 Ca 0.28 2.11 0.08 0.00 0.02 0.00 0.00 54.97 57.46 1k73 s GLU 81 Cb 0.07 -2.05 0.01 0.00 0.10 0.00 0.00 34.13 32.25 1k73 s GLU 81 CO 0.07 -1.35 0.48 0.20 0.02 0.00 0.00 175.26 174.68 1k73 s GLY 82 N -1.21 2.06 0.01 -1.39 0.00 -1.26 -4.98 107.32 100.56 1k73 s GLY 82 Ca 0.77 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 43.68 1k73 s GLY 82 CO 0.43 -1.67 0.00 0.66 0.00 0.00 0.00 173.10 172.52 1k73 s TRP 83 N -2.50 0.14 0.14 1.90 -2.14 -1.26 -4.71 118.94 110.51 1k73 s TRP 83 Ca 0.50 -0.28 -0.34 0.00 2.66 0.00 0.00 56.10 58.64 1k73 s TRP 83 Cb -0.05 -0.10 -0.14 0.00 -3.10 0.00 0.00 33.47 30.08 1k73 s TRP 83 CO 0.30 -0.13 1.59 0.54 -2.66 0.00 0.00 176.95 176.59 1k73 n ARG 84 N 2.15 2.10 -3.54 3.25 1.74 -1.26 -1.34 116.66 119.76 1k73 n ARG 84 Ca -0.19 0.76 -0.07 0.00 -0.77 0.00 0.00 57.85 57.58 1k73 n ARG 84 Cb 0.57 -2.53 -0.08 0.00 -1.02 0.00 0.00 32.46 29.41 1k73 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k73 s ALA 85 N 1.11 -1.34 0.37 7.54 0.00 -1.01 -4.90 121.76 123.53 1k73 s ALA 85 Ca 0.80 1.50 0.08 0.00 0.00 0.00 0.00 51.96 54.34 1k73 s ALA 85 Cb -0.69 -1.53 0.81 0.00 0.00 0.00 0.00 23.12 21.70 1k73 s ALA 85 CO 0.39 -0.95 1.94 0.78 0.00 0.00 0.00 175.76 177.93 1k73 h GLY 86 N 8.14 0.95 -4.91 0.00 0.00 -1.94 -3.41 103.07 101.91 1k73 h GLY 86 Ca -0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1k73 h GLY 86 CO 0.17 0.17 -0.24 -1.60 0.00 0.00 0.00 176.54 175.03 1k73 s ARG 87 N -5.63 0.57 -0.13 4.80 3.52 -1.26 -4.93 118.95 115.89 1k73 s ARG 87 Ca -0.09 0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.74 1k73 s ARG 87 Cb 0.20 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 33.89 1k73 s ARG 87 CO 0.77 -0.12 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.96 1k73 s LEU 88 N -0.45 1.05 -0.06 -0.88 2.96 -1.26 0.12 118.68 120.15 1k73 s LEU 88 Ca -0.06 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1k73 s LEU 88 Cb -0.04 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 1k73 s LEU 88 CO 0.02 -0.21 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.01 1k73 s GLU 89 N 1.83 2.64 0.21 1.98 2.02 -0.31 -4.97 118.70 122.10 1k73 s GLU 89 Ca 0.03 -0.85 -0.10 0.00 0.02 0.00 0.00 54.97 54.06 1k73 s GLU 89 Cb -0.14 -2.25 -0.07 0.00 0.10 0.00 0.00 34.13 31.77 1k73 s GLU 89 CO -0.07 0.40 0.54 -0.06 0.02 0.00 0.00 175.26 176.09 1k73 s PHE 90 N -0.19 3.47 -0.48 1.61 0.40 -1.26 -0.62 117.98 120.91 1k73 s PHE 90 Ca -0.02 0.90 -0.15 0.00 -0.60 0.00 0.00 56.93 57.05 1k73 s PHE 90 Cb -0.14 -2.27 0.08 0.00 0.51 0.00 0.00 43.02 41.21 1k73 s PHE 90 CO 0.03 0.31 0.41 -0.65 0.70 0.00 0.00 175.22 176.03 1k73 s GLN 91 N -2.62 2.97 0.00 0.44 -0.21 0.56 -4.84 119.66 115.97 1k73 s GLN 91 Ca 0.45 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.40 1k73 s GLN 91 Cb -0.12 -4.16 0.00 0.00 1.00 0.00 0.00 33.01 29.73 1k73 s GLN 91 CO 0.21 -1.09 0.00 0.39 -2.12 0.00 0.00 175.29 172.68