#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m17 s GLN 2 N 0.00 3.04 -0.11 6.28 -0.21 -1.26 -4.64 119.66 122.76 3m17 s GLN 2 Ca 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.56 3m17 s GLN 2 Cb 0.00 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 3m17 s GLN 2 CO 0.00 -0.16 -0.06 1.03 -2.12 0.00 0.00 175.29 173.98 3m17 s ARG 3 N 1.18 3.16 0.15 2.91 0.52 0.42 -4.91 118.95 122.38 3m17 s ARG 3 Ca 0.02 -0.55 -0.25 0.00 -0.52 0.00 0.00 55.73 54.43 3m17 s ARG 3 Cb -0.14 -2.71 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 3m17 s ARG 3 CO -0.09 0.46 0.76 -0.08 0.02 0.00 0.00 175.30 176.37 3m17 s THR 4 N -0.26 4.41 0.31 0.02 -1.32 -1.26 -1.21 115.64 116.34 3m17 s THR 4 Ca 0.04 1.66 -0.29 0.00 -1.21 0.00 0.00 61.69 61.89 3m17 s THR 4 Cb -0.13 -4.12 -0.10 0.00 -1.51 0.00 0.00 72.50 66.64 3m17 s THR 4 CO 0.02 0.52 1.21 -2.16 -2.21 0.00 0.00 174.62 172.00 3m17 s PRO 5 N -1.10 4.46 -0.06 7.08 0.04 -1.26 -4.37 135.00 139.79 3m17 s PRO 5 Ca 0.35 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 3m17 s PRO 5 Cb -0.23 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 3m17 s PRO 5 CO 0.26 -0.02 0.49 0.21 0.04 0.00 0.00 177.00 177.97 3m17 s LYS 6 N -1.68 4.24 -0.13 4.56 2.20 0.49 -4.92 119.74 124.50 3m17 s LYS 6 Ca 0.47 0.51 0.02 0.00 -0.36 0.00 0.00 55.97 56.62 3m17 s LYS 6 Cb -0.36 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 3m17 s LYS 6 CO 0.47 0.34 -0.21 0.42 -0.36 0.00 0.00 175.35 176.01 3m17 s ILE 7 N -0.00 2.24 0.01 5.43 1.01 -1.26 -1.29 121.20 127.34 3m17 s ILE 7 Ca 0.27 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.04 3m17 s ILE 7 Cb -0.16 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3m17 s ILE 7 CO 0.13 0.55 -0.19 -1.10 0.00 0.00 0.00 174.94 174.32 3m17 s GLN 8 N 0.62 1.42 -0.13 2.79 -0.21 -0.14 -4.97 119.66 119.04 3m17 s GLN 8 Ca -0.11 -0.78 0.00 0.00 0.02 0.00 0.00 55.36 54.50 3m17 s GLN 8 Cb -0.16 -1.44 0.02 0.00 1.00 0.00 0.00 33.01 32.43 3m17 s GLN 8 CO 0.03 0.38 -0.13 0.08 -2.12 0.00 0.00 175.29 173.53 3m17 s VAL 9 N -0.61 1.44 -0.09 1.09 1.01 -1.26 -0.36 120.40 121.62 3m17 s VAL 9 Ca 0.07 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 3m17 s VAL 9 Cb -0.08 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 35.01 3m17 s VAL 9 CO 0.00 0.43 0.63 -0.72 0.00 0.00 0.00 175.10 175.45 3m17 s TYR 10 N 1.41 -0.62 0.51 5.22 1.13 -0.98 -4.65 117.35 119.38 3m17 s TYR 10 Ca 0.02 1.16 -0.17 0.00 -1.41 0.00 0.00 57.07 56.68 3m17 s TYR 10 Cb -0.13 0.34 -0.08 0.00 -1.10 0.00 0.00 41.96 40.98 3m17 s TYR 10 CO -0.08 -0.53 0.98 -1.54 -2.51 0.00 0.00 175.55 171.88 3m17 s SER 11 N -0.88 6.63 0.05 -0.18 1.04 -1.26 -0.74 113.70 118.36 3m17 s SER 11 Ca -0.09 1.58 -0.27 0.00 0.48 0.00 0.00 55.95 57.65 3m17 s SER 11 Cb -0.02 -2.51 -0.17 0.00 0.10 0.00 0.00 66.02 63.42 3m17 s SER 11 CO 0.07 -0.58 1.48 -0.09 0.98 0.00 0.00 173.24 175.10 3m17 h ARG 12 N 0.97 -0.49 -6.20 4.02 2.43 -0.73 -3.45 114.38 110.94 3m17 h ARG 12 Ca -0.47 0.03 -0.49 0.00 -0.81 0.00 0.00 59.98 58.24 3m17 h ARG 12 Cb 1.18 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.81 3m17 h ARG 12 CO 0.61 -0.24 -0.45 -1.01 -1.51 0.00 0.00 179.97 177.38 3m17 s HIS 13 N -5.46 2.92 0.18 2.20 3.76 -1.26 -5.06 115.29 112.57 3m17 s HIS 13 Ca -0.15 -0.29 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 3m17 s HIS 13 Cb 0.03 -1.80 -0.15 0.00 1.11 0.00 0.00 32.58 31.78 3m17 s HIS 13 CO 0.60 0.18 1.39 -2.30 -0.85 0.00 0.00 174.74 173.76 3m17 n PRO 14 N -1.38 1.73 -2.44 8.40 -0.02 -1.26 -4.86 135.00 135.17 3m17 n PRO 14 Ca -0.02 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 3m17 n PRO 14 Cb 0.60 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3m17 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m17 s ALA 15 N 0.24 3.18 -0.15 3.55 0.00 -1.26 -4.99 121.76 122.32 3m17 s ALA 15 Ca 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3m17 s ALA 15 Cb -0.75 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 18.52 3m17 s ALA 15 CO 0.47 -2.16 -0.15 -1.21 0.00 0.00 0.00 175.76 172.71 3m17 s GLU 16 N 4.56 2.39 0.20 0.00 2.02 -1.26 -5.01 118.70 121.60 3m17 s GLU 16 Ca 0.56 -0.59 -0.32 0.00 0.02 0.00 0.00 54.97 54.64 3m17 s GLU 16 Cb -0.13 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 31.78 3m17 s GLU 16 CO 0.29 -0.23 1.14 0.09 0.02 0.00 0.00 175.26 176.57 3m17 n ASN 17 N 4.75 1.41 0.00 -0.19 3.02 -1.26 -1.47 115.26 121.53 3m17 n ASN 17 Ca -0.17 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 3m17 n ASN 17 Cb 0.50 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 3m17 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 18 N 1.86 2.83 3.70 7.41 0.00 -0.81 -4.99 105.19 115.19 3m17 n GLY 18 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3m17 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m17 s LYS 19 N -0.08 4.17 0.44 1.61 2.20 -0.54 -5.00 119.74 122.54 3m17 s LYS 19 Ca 0.00 -0.14 -0.24 0.00 -0.36 0.00 0.00 55.97 55.24 3m17 s LYS 19 Cb 0.00 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 3m17 s LYS 19 CO 0.00 0.19 1.03 0.45 -0.36 0.00 0.00 175.35 176.66 3m17 n SER 20 N 3.83 1.33 -0.46 1.43 2.88 -1.26 -4.27 113.62 117.10 3m17 n SER 20 Ca -0.14 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 3m17 n SER 20 Cb 0.52 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 3m17 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3m17 n ASN 21 N 0.33 0.00 -3.73 -3.46 2.85 0.34 -4.99 115.26 106.61 3m17 n ASN 21 Ca 0.10 -0.46 -0.15 0.00 -0.11 0.00 0.00 54.58 53.95 3m17 n ASN 21 Cb 0.40 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.27 3m17 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3m17 s PHE 22 N -5.38 -0.10 -0.19 1.20 0.08 -1.26 -2.29 117.98 110.03 3m17 s PHE 22 Ca 0.00 0.42 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 3m17 s PHE 22 Cb 0.00 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 3m17 s PHE 22 CO 0.00 -0.18 0.21 -1.17 -0.10 0.00 0.00 175.22 173.98 3m17 s LEU 23 N 1.51 4.20 0.01 -0.37 2.96 0.77 0.09 118.68 127.86 3m17 s LEU 23 Ca -0.05 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.23 3m17 s LEU 23 Cb -0.12 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 3m17 s LEU 23 CO -0.05 0.12 -0.07 0.20 -1.32 0.00 0.00 176.35 175.23 3m17 s ASN 24 N 0.55 4.64 -0.17 3.68 0.01 0.08 -0.63 114.94 123.10 3m17 s ASN 24 Ca 0.12 -0.16 -0.01 0.00 -0.71 0.00 0.00 52.86 52.10 3m17 s ASN 24 Cb -0.12 -1.07 -0.00 0.00 0.41 0.00 0.00 41.25 40.46 3m17 s ASN 24 CO 0.02 0.27 -0.12 0.00 -1.51 0.00 0.00 177.10 175.76 3m17 s TYR 26 N 1.00 3.46 -0.07 0.00 5.04 0.52 -0.86 117.35 126.44 3m17 s TYR 26 Ca -0.01 -2.25 -0.16 0.00 -2.44 0.00 0.00 57.07 52.21 3m17 s TYR 26 Cb -0.15 -2.67 -0.05 0.00 0.35 0.00 0.00 41.96 39.44 3m17 s TYR 26 CO -0.02 -0.89 0.42 0.14 -1.34 0.00 0.00 175.55 173.86 3m17 s VAL 27 N 1.16 5.13 0.13 3.14 -7.23 -0.69 -0.97 120.40 121.06 3m17 s VAL 27 Ca 0.02 0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 60.93 3m17 s VAL 27 Cb -0.21 -3.74 0.01 0.00 0.56 0.00 0.00 36.38 32.99 3m17 s VAL 27 CO -0.03 0.45 0.28 -0.94 -0.31 0.00 0.00 175.10 174.55 3m17 s SER 28 N -0.18 -0.00 -0.20 4.85 1.04 -0.41 -0.35 113.70 118.45 3m17 s SER 28 Ca 0.24 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3m17 s SER 28 Cb -0.16 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3m17 s SER 28 CO 0.11 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3m17 n GLY 29 N -0.16 0.54 3.92 7.32 0.00 0.56 -0.38 105.19 116.99 3m17 n GLY 29 Ca -0.13 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 44.95 3m17 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3m17 s PHE 30 N -2.03 3.41 -0.28 1.61 -0.71 -0.99 -4.22 117.98 114.76 3m17 s PHE 30 Ca 0.00 0.07 -0.15 0.00 -1.04 0.00 0.00 56.93 55.81 3m17 s PHE 30 Cb 0.00 -1.62 0.10 0.00 -1.21 0.00 0.00 43.02 40.29 3m17 s PHE 30 CO 0.00 0.51 0.73 -1.58 -1.34 0.00 0.00 175.22 173.54 3m17 s HIS 31 N -1.78 -1.02 0.00 3.49 2.46 -0.35 -0.44 115.29 117.66 3m17 s HIS 31 Ca 0.34 2.00 0.00 0.00 0.47 0.00 0.00 55.06 57.87 3m17 s HIS 31 Cb -0.11 0.61 0.00 0.00 -0.13 0.00 0.00 32.58 32.96 3m17 s HIS 31 CO 0.27 -0.51 0.00 -0.35 -2.47 0.00 0.00 174.74 171.69 3m17 n PRO 32 N 4.37 0.08 0.04 2.88 -0.05 -1.26 -0.44 135.00 140.62 3m17 n PRO 32 Ca -0.19 0.00 -0.10 0.00 -0.05 0.00 0.00 63.50 63.16 3m17 n PRO 32 Cb 0.58 0.00 -0.13 0.00 -0.05 0.00 0.00 33.50 33.89 3m17 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3m17 h SER 33 N -0.06 0.11 -2.06 3.54 4.64 -1.99 -3.45 113.55 114.27 3m17 h SER 33 Ca 0.00 -0.14 -0.61 0.00 -0.47 0.00 0.00 61.79 60.57 3m17 h SER 33 Cb 0.00 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3m17 h SER 33 CO 0.00 1.12 1.11 0.47 -0.87 0.00 0.00 176.83 178.66 3m17 n ASP 34 N -3.31 3.51 -3.68 4.97 10.43 -1.26 -4.94 116.55 122.27 3m17 n ASP 34 Ca -0.08 0.97 -0.14 0.00 2.57 0.00 0.00 54.79 58.11 3m17 n ASP 34 Cb 0.99 -1.38 -0.08 0.00 1.84 0.00 0.00 41.12 42.49 3m17 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3m17 s ILE 35 N 4.09 0.00 -0.17 0.53 2.07 -1.26 -4.69 121.20 121.77 3m17 s ILE 35 Ca 0.92 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 60.15 3m17 s ILE 35 Cb -0.67 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.16 3m17 s ILE 35 CO 0.51 -0.01 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.63 3m17 s GLU 36 N 0.10 2.85 -0.09 3.50 -6.30 -0.96 -4.99 118.70 112.80 3m17 s GLU 36 Ca -0.02 -0.78 0.03 0.00 -2.50 0.00 0.00 54.97 51.71 3m17 s GLU 36 Cb -0.04 -2.45 0.01 0.00 0.00 0.00 0.00 34.13 31.65 3m17 s GLU 36 CO 0.02 -0.18 -0.19 0.08 0.02 0.00 0.00 175.26 175.01 3m17 s VAL 37 N 1.25 1.68 0.02 3.70 1.01 -1.26 -0.55 120.40 126.24 3m17 s VAL 37 Ca 0.03 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3m17 s VAL 37 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3m17 s VAL 37 CO -0.11 0.48 -0.17 -1.81 0.00 0.00 0.00 175.10 173.49 3m17 s ASP 38 N 0.56 1.98 -0.10 3.32 1.01 0.46 -4.99 116.67 118.90 3m17 s ASP 38 Ca -0.15 -0.40 -0.05 0.00 0.71 0.00 0.00 52.55 52.65 3m17 s ASP 38 Cb -0.17 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 3m17 s ASP 38 CO 0.05 0.14 0.11 -0.76 0.21 0.00 0.00 175.17 174.92 3m17 s LEU 39 N -0.82 4.19 -0.10 1.23 1.43 -1.26 0.22 118.68 123.56 3m17 s LEU 39 Ca 0.05 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3m17 s LEU 39 Cb -0.07 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3m17 s LEU 39 CO 0.01 0.39 -0.24 -0.76 0.23 0.00 0.00 176.35 175.98 3m17 s LEU 40 N -1.09 2.10 -0.48 1.79 1.43 0.11 -0.89 118.68 121.64 3m17 s LEU 40 Ca 0.16 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 3m17 s LEU 40 Cb -0.12 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.79 3m17 s LEU 40 CO 0.05 0.15 0.39 -0.75 0.23 0.00 0.00 176.35 176.42 3m17 s LYS 41 N 0.39 2.77 -1.29 1.70 2.20 -0.06 -1.70 119.74 123.75 3m17 s LYS 41 Ca -0.18 -1.61 -0.04 0.00 -0.36 0.00 0.00 55.97 53.78 3m17 s LYS 41 Cb -0.18 -4.06 0.01 0.00 -1.51 0.00 0.00 37.83 32.09 3m17 s LYS 41 CO 0.08 -1.16 1.02 0.09 -0.36 0.00 0.00 175.35 175.02 3m17 n ASN 42 N 5.08 -3.57 0.00 1.43 3.02 0.43 -2.50 115.26 119.16 3m17 n ASN 42 Ca -0.11 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 3m17 n ASN 42 Cb 0.41 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 3m17 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m17 n GLY 43 N -1.52 1.07 3.36 7.41 0.00 -1.26 -5.03 105.19 109.22 3m17 n GLY 43 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3m17 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3m17 s GLU 44 N -0.16 2.44 0.13 1.61 2.02 -1.04 -5.03 118.70 118.67 3m17 s GLU 44 Ca 0.00 -0.83 -0.35 0.00 0.02 0.00 0.00 54.97 53.82 3m17 s GLU 44 Cb 0.00 -2.23 -0.16 0.00 0.10 0.00 0.00 34.13 31.85 3m17 s GLU 44 CO 0.00 0.52 1.36 0.54 0.02 0.00 0.00 175.26 177.70 3m17 n ARG 45 N 2.59 1.45 -3.02 1.61 1.74 -1.26 -0.88 116.66 118.89 3m17 n ARG 45 Ca -0.17 0.52 -0.40 0.00 -0.77 0.00 0.00 57.85 57.03 3m17 n ARG 45 Cb 0.52 -2.16 -0.05 0.00 -1.02 0.00 0.00 32.46 29.75 3m17 n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m17 s ILE 46 N 0.39 5.00 -0.10 0.55 1.01 -0.07 -4.79 121.20 123.19 3m17 s ILE 46 Ca 0.79 1.51 -0.19 0.00 0.00 0.00 0.00 60.65 62.76 3m17 s ILE 46 Cb -0.85 -4.07 -0.28 0.00 0.01 0.00 0.00 42.46 37.28 3m17 s ILE 46 CO 0.46 0.26 0.64 1.05 0.00 0.00 0.00 174.94 177.35 3m17 h GLU 47 N 6.62 0.22 -4.95 2.79 -0.00 -1.93 -3.41 114.58 113.91 3m17 h GLU 47 Ca -0.41 -0.37 -0.71 0.00 -0.00 0.00 0.00 59.36 57.86 3m17 h GLU 47 Cb 1.20 0.14 -0.11 0.00 -0.00 0.00 0.00 28.75 29.98 3m17 h GLU 47 CO 0.75 1.18 2.14 0.36 -0.00 0.00 0.00 179.01 183.44 3m17 n LYS 48 N -4.08 3.23 -4.05 1.06 -0.00 -1.26 -4.93 118.16 108.14 3m17 n LYS 48 Ca -0.21 -3.33 -0.32 0.00 -0.00 0.00 0.00 58.31 54.45 3m17 n LYS 48 Cb 0.83 -3.28 -0.16 0.00 -0.00 0.00 0.00 35.03 32.42 3m17 n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3m17 s VAL 49 N 2.90 1.92 0.43 0.58 1.01 -1.26 -4.54 120.40 121.44 3m17 s VAL 49 Ca 0.48 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3m17 s VAL 49 Cb 0.05 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3m17 s VAL 49 CO 0.02 0.18 0.63 -1.61 0.00 0.00 0.00 175.10 174.32 3m17 s GLU 50 N 1.27 3.05 -0.01 2.72 2.02 -0.74 -4.93 118.70 122.08 3m17 s GLU 50 Ca -0.03 -0.63 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 3m17 s GLU 50 Cb -0.17 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.45 3m17 s GLU 50 CO -0.08 -0.21 0.11 -3.38 0.02 0.00 0.00 175.26 171.71 3m17 s HIS 51 N -2.48 0.04 0.94 1.61 -3.43 -1.26 -0.87 115.29 109.84 3m17 s HIS 51 Ca 0.48 -0.10 -0.14 0.00 -0.80 0.00 0.00 55.06 54.50 3m17 s HIS 51 Cb -0.10 -0.05 0.16 0.00 -1.43 0.00 0.00 32.58 31.16 3m17 s HIS 51 CO 0.36 -0.23 1.20 -1.54 -2.00 0.00 0.00 174.74 172.53 3m17 s SER 52 N -1.10 3.29 0.39 7.38 1.04 -0.36 -5.00 113.70 119.34 3m17 s SER 52 Ca -0.12 0.69 -0.27 0.00 0.48 0.00 0.00 55.95 56.73 3m17 s SER 52 Cb -0.07 -1.05 -0.11 0.00 0.10 0.00 0.00 66.02 64.89 3m17 s SER 52 CO 0.01 -2.66 1.42 0.47 0.98 0.00 0.00 173.24 173.46 3m17 n ASP 53 N -3.79 3.39 -4.63 7.02 9.92 -1.26 -4.68 116.55 122.52 3m17 n ASP 53 Ca 0.10 1.19 -0.43 0.00 -0.53 0.00 0.00 54.79 55.12 3m17 n ASP 53 Cb 0.60 -1.58 -0.02 0.00 -0.64 0.00 0.00 41.12 39.47 3m17 n ASP 53 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3m17 s LEU 54 N -1.99 3.91 0.00 0.64 0.20 -1.26 -4.72 118.68 115.47 3m17 s LEU 54 Ca 0.56 1.41 0.01 0.00 0.69 0.00 0.00 54.13 56.81 3m17 s LEU 54 Cb -0.49 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 41.73 3m17 s LEU 54 CO 0.62 -1.12 0.05 -0.24 -0.29 0.00 0.00 176.35 175.36 3m17 n SER 55 N 7.85 2.49 -3.89 3.68 2.88 -0.69 -4.99 113.62 120.94 3m17 n SER 55 Ca 0.16 -2.99 -0.11 0.00 -1.33 0.00 0.00 58.87 54.60 3m17 n SER 55 Cb 0.46 0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 64.37 3m17 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3m17 s PHE 56 N -2.76 0.09 0.31 0.66 -0.12 -1.26 -0.35 117.98 114.55 3m17 s PHE 56 Ca 0.07 -0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 3m17 s PHE 56 Cb 0.00 -0.08 0.06 0.00 -0.63 0.00 0.00 43.02 42.38 3m17 s PHE 56 CO 0.05 -0.30 0.43 -1.13 -0.05 0.00 0.00 175.22 174.22 3m17 n SER 57 N 1.28 0.51 -0.17 1.98 3.41 -0.69 -4.94 113.62 115.00 3m17 n SER 57 Ca -0.22 -1.45 -0.02 0.00 -0.26 0.00 0.00 58.87 56.92 3m17 n SER 57 Cb 0.56 -0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 3m17 n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3m17 h LYS 58 N 0.00 0.29 -0.03 4.33 -0.00 -2.03 -1.63 116.57 117.50 3m17 h LYS 58 Ca -0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.49 3m17 h LYS 58 Cb 0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 32.67 3m17 h LYS 58 CO 0.15 0.19 0.00 -0.40 -0.00 0.00 0.00 179.45 179.39 3m17 n ASP 59 N -5.06 0.03 0.00 7.07 5.75 -1.26 -4.84 116.55 118.24 3m17 n ASP 59 Ca 0.06 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3m17 n ASP 59 Cb 0.24 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 3m17 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3m17 n TRP 60 N -0.48 0.00 -2.42 2.11 7.02 -0.61 -5.02 117.44 118.04 3m17 n TRP 60 Ca 0.00 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.09 3m17 n TRP 60 Cb 0.01 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 3m17 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3m17 s SER 61 N -3.82 6.92 0.45 -0.99 1.04 -1.26 -4.67 113.70 111.37 3m17 s SER 61 Ca 0.00 2.26 -0.19 0.00 0.48 0.00 0.00 55.95 58.50 3m17 s SER 61 Cb 0.00 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 3m17 s SER 61 CO 0.00 -0.39 0.95 -0.36 0.98 0.00 0.00 173.24 174.42 3m17 s PHE 62 N -1.35 3.36 0.04 5.02 0.08 0.42 -1.71 117.98 123.84 3m17 s PHE 62 Ca 0.51 1.55 -0.02 0.00 0.12 0.00 0.00 56.93 59.09 3m17 s PHE 62 Cb -0.30 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.31 3m17 s PHE 62 CO 0.38 -0.19 0.01 1.52 -0.10 0.00 0.00 175.22 176.84 3m17 s TYR 63 N -2.32 0.36 -0.15 0.36 -0.85 0.52 -0.32 117.35 114.95 3m17 s TYR 63 Ca 0.61 -0.77 -0.25 0.00 -0.52 0.00 0.00 57.07 56.14 3m17 s TYR 63 Cb -0.09 -0.26 0.06 0.00 0.38 0.00 0.00 41.96 42.05 3m17 s TYR 63 CO 0.19 -0.33 0.63 -1.17 -1.52 0.00 0.00 175.55 173.36 3m17 s LEU 64 N -2.31 -0.45 -0.15 -3.49 0.20 0.52 -1.71 118.68 111.29 3m17 s LEU 64 Ca -0.02 0.97 0.02 0.00 0.69 0.00 0.00 54.13 55.79 3m17 s LEU 64 Cb 0.01 2.28 0.01 0.00 -0.43 0.00 0.00 46.19 48.05 3m17 s LEU 64 CO -0.06 -0.40 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.18 3m17 s LEU 65 N -0.41 2.19 -0.10 -0.68 2.96 -1.26 -1.70 118.68 119.69 3m17 s LEU 65 Ca -0.06 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 3m17 s LEU 65 Cb -0.03 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3m17 s LEU 65 CO 0.05 0.07 0.05 -0.31 -1.32 0.00 0.00 176.35 174.88 3m17 s TYR 66 N 0.91 3.30 -0.03 5.38 1.51 -0.04 -1.22 117.35 127.15 3m17 s TYR 66 Ca -0.04 0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 56.20 3m17 s TYR 66 Cb -0.15 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3m17 s TYR 66 CO -0.03 0.54 0.24 1.52 -1.11 0.00 0.00 175.55 176.70 3m17 s TYR 67 N -0.89 -0.13 0.01 2.71 1.13 -0.05 0.68 117.35 120.82 3m17 s TYR 67 Ca 0.13 0.23 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 3m17 s TYR 67 Cb -0.12 0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.78 3m17 s TYR 67 CO 0.03 -0.29 -0.03 -0.08 -2.51 0.00 0.00 175.55 172.67 3m17 s THR 68 N -0.99 0.14 0.09 -3.49 -1.32 0.20 -1.80 115.64 108.47 3m17 s THR 68 Ca -0.11 -0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 59.48 3m17 s THR 68 Cb -0.05 -0.22 -0.06 0.00 -1.51 0.00 0.00 72.50 70.66 3m17 s THR 68 CO 0.02 -0.29 1.07 -0.70 -2.21 0.00 0.00 174.62 172.52 3m17 s GLU 69 N -0.91 4.56 0.19 7.08 2.12 -1.26 -0.16 118.70 130.31 3m17 s GLU 69 Ca -0.09 1.61 -0.17 0.00 0.36 0.00 0.00 54.97 56.68 3m17 s GLU 69 Cb -0.06 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 30.99 3m17 s GLU 69 CO -0.00 -0.02 0.49 -0.59 -0.54 0.00 0.00 175.26 174.59 3m17 s PHE 70 N 0.47 -0.08 -0.28 5.30 -0.71 -0.97 -4.92 117.98 116.80 3m17 s PHE 70 Ca 0.52 -0.26 0.02 0.00 -1.04 0.00 0.00 56.93 56.17 3m17 s PHE 70 Cb -0.26 0.34 0.07 0.00 -1.21 0.00 0.00 43.02 41.96 3m17 s PHE 70 CO 0.31 -0.88 -0.03 0.99 -1.34 0.00 0.00 175.22 174.27 3m17 s THR 71 N -3.87 1.85 0.44 -4.49 2.01 -1.26 -0.50 115.64 109.81 3m17 s THR 71 Ca 0.09 -1.65 -0.24 0.00 0.31 0.00 0.00 61.69 60.20 3m17 s THR 71 Cb -0.00 -2.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.28 3m17 s THR 71 CO -0.03 -0.26 1.24 -2.16 -0.69 0.00 0.00 174.62 172.72 3m17 s PRO 72 N 1.20 3.80 0.50 4.92 0.04 -1.26 -4.79 135.00 139.41 3m17 s PRO 72 Ca -0.01 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3m17 s PRO 72 Cb -0.19 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 3m17 s PRO 72 CO -0.08 -0.58 0.08 0.95 0.04 0.00 0.00 177.00 177.41 3m17 s THR 73 N -1.38 1.41 0.25 1.26 -4.23 -1.26 -1.93 115.64 109.76 3m17 s THR 73 Ca 0.61 -1.90 0.13 0.00 -1.18 0.00 0.00 61.69 59.35 3m17 s THR 73 Cb -0.34 -2.31 0.02 0.00 1.34 0.00 0.00 72.50 71.21 3m17 s THR 73 CO 0.43 0.00 1.66 -0.08 -0.54 0.00 0.00 174.62 176.08 3m17 h GLU 74 N 1.31 0.00 0.00 3.99 4.57 -1.98 -3.34 114.58 119.12 3m17 h GLU 74 Ca -0.43 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.55 3m17 h GLU 74 Cb 1.30 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.85 3m17 h GLU 74 CO 0.72 0.54 -2.18 1.63 -1.18 0.00 0.00 179.01 178.54 3m17 n LYS 75 N -3.75 0.73 -2.11 1.92 4.01 -1.26 -4.97 118.16 112.73 3m17 n LYS 75 Ca -0.01 -0.09 -0.42 0.00 -0.51 0.00 0.00 58.31 57.28 3m17 n LYS 75 Cb 0.58 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.56 3m17 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3m17 s ASP 76 N -4.98 6.77 -0.14 4.39 -0.00 -1.26 -5.02 116.67 116.43 3m17 s ASP 76 Ca -0.09 2.49 -0.05 0.00 -0.00 0.00 0.00 52.55 54.90 3m17 s ASP 76 Cb 0.09 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.37 3m17 s ASP 76 CO 0.84 -0.65 0.02 -1.61 -0.00 0.00 0.00 175.17 173.77 3m17 s GLU 77 N 0.29 3.56 0.18 8.23 2.02 -1.26 -4.82 118.70 126.90 3m17 s GLU 77 Ca 0.61 -0.39 0.11 0.00 0.02 0.00 0.00 54.97 55.32 3m17 s GLU 77 Cb -0.39 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 3m17 s GLU 77 CO 0.37 0.44 -0.24 0.71 0.02 0.00 0.00 175.26 176.55 3m17 s TYR 78 N -0.13 2.24 0.04 1.61 2.02 -1.26 -0.42 117.35 121.45 3m17 s TYR 78 Ca 0.05 -0.37 -0.19 0.00 -0.37 0.00 0.00 57.07 56.18 3m17 s TYR 78 Cb -0.12 -1.13 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3m17 s TYR 78 CO 0.02 0.44 0.44 0.00 -1.57 0.00 0.00 175.55 174.88 3m17 s ALA 79 N -1.57 -1.10 -0.20 3.71 0.00 -0.69 -0.38 121.76 121.53 3m17 s ALA 79 Ca 0.19 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3m17 s ALA 79 Cb -0.08 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 3m17 s ALA 79 CO 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 175.76 175.35 3m17 s ARG 81 N 1.08 3.82 -0.08 0.00 3.52 0.13 -1.35 118.95 126.08 3m17 s ARG 81 Ca 0.01 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.23 3m17 s ARG 81 Cb -0.15 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3m17 s ARG 81 CO 0.00 -0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.42 3m17 s VAL 82 N 1.15 1.37 -0.02 7.11 1.01 -0.51 -0.41 120.40 130.11 3m17 s VAL 82 Ca 0.05 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3m17 s VAL 82 Cb -0.14 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3m17 s VAL 82 CO 0.04 0.41 -0.09 0.20 0.00 0.00 0.00 175.10 175.65 3m17 s ASN 83 N 0.67 4.42 -0.12 3.32 0.01 0.28 -1.89 114.94 121.64 3m17 s ASN 83 Ca -0.14 -0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.55 3m17 s ASN 83 Cb -0.16 -1.00 0.12 0.00 0.41 0.00 0.00 41.25 40.61 3m17 s ASN 83 CO 0.04 0.31 0.94 -2.28 -1.51 0.00 0.00 177.10 174.60 3m17 s HIS 84 N -0.89 -0.40 0.54 2.20 2.46 -1.26 -2.28 115.29 115.66 3m17 s HIS 84 Ca 0.15 0.61 0.22 0.00 0.47 0.00 0.00 55.06 56.50 3m17 s HIS 84 Cb -0.11 0.46 1.45 0.00 -0.13 0.00 0.00 32.58 34.25 3m17 s HIS 84 CO 0.04 -0.41 2.15 -0.39 -2.47 0.00 0.00 174.74 173.66 3m17 h VAL 85 N 2.51 0.81 0.00 0.89 -1.51 -1.96 0.38 116.25 117.37 3m17 h VAL 85 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3m17 h VAL 85 Cb 1.17 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3m17 h VAL 85 CO 0.32 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.01 3m17 n THR 86 N -4.29 0.06 -3.93 7.19 -2.24 -1.26 -4.53 114.28 105.28 3m17 n THR 86 Ca -0.01 0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 3m17 n THR 86 Cb 0.19 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.66 3m17 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3m17 s LEU 87 N -2.17 2.64 0.41 3.22 1.43 0.12 -4.96 118.68 119.37 3m17 s LEU 87 Ca 0.35 -1.26 0.17 0.00 -1.03 0.00 0.00 54.13 52.36 3m17 s LEU 87 Cb 0.18 -1.17 0.88 0.00 0.03 0.00 0.00 46.19 46.11 3m17 s LEU 87 CO 0.33 -0.26 1.87 0.28 0.23 0.00 0.00 176.35 178.80 3m17 h SER 88 N 7.95 0.00 -4.05 2.29 0.02 -1.79 -3.41 113.55 114.56 3m17 h SER 88 Ca -0.17 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.31 3m17 h SER 88 Cb 1.07 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.41 3m17 h SER 88 CO 0.42 0.31 -0.79 0.00 -1.14 0.00 0.00 176.83 175.64 3m17 s GLN 89 N -4.11 1.07 0.70 3.45 -2.07 -1.26 -5.12 119.66 112.32 3m17 s GLN 89 Ca -0.02 -1.21 -0.15 0.00 -1.82 0.00 0.00 55.36 52.16 3m17 s GLN 89 Cb 0.14 -1.12 0.02 0.00 -1.09 0.00 0.00 33.01 30.96 3m17 s GLN 89 CO 0.69 0.24 1.17 -1.25 -1.32 0.00 0.00 175.29 174.82 3m17 s PRO 90 N -2.34 2.39 -0.13 9.60 0.04 -1.26 -4.94 135.00 138.36 3m17 s PRO 90 Ca 0.08 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 3m17 s PRO 90 Cb -0.07 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3m17 s PRO 90 CO 0.04 -1.61 0.06 0.21 0.04 0.00 0.00 177.00 175.74 3m17 s LYS 91 N -3.96 3.45 -0.16 4.56 2.47 -0.79 -4.94 119.74 120.37 3m17 s LYS 91 Ca 0.72 -0.30 0.01 0.00 -1.56 0.00 0.00 55.97 54.84 3m17 s LYS 91 Cb -0.26 -3.05 0.01 0.00 -1.46 0.00 0.00 37.83 33.07 3m17 s LYS 91 CO 0.43 0.59 -0.19 0.42 0.16 0.00 0.00 175.35 176.76 3m17 s ILE 92 N -0.53 2.23 -0.22 5.43 1.01 -1.26 -1.42 121.20 126.44 3m17 s ILE 92 Ca 0.10 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 3m17 s ILE 92 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3m17 s ILE 92 CO 0.02 0.53 -0.09 -0.69 0.00 0.00 0.00 174.94 174.72 3m17 s VAL 93 N 1.00 2.87 0.47 2.92 1.01 -0.45 -4.96 120.40 123.26 3m17 s VAL 93 Ca -0.02 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 3m17 s VAL 93 Cb -0.15 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 3m17 s VAL 93 CO -0.05 0.37 1.24 -0.54 0.00 0.00 0.00 175.10 176.12 3m17 s LYS 94 N 1.38 3.64 -0.55 2.72 3.01 -1.26 -1.01 119.74 127.66 3m17 s LYS 94 Ca 0.04 1.97 -0.28 0.00 -1.01 0.00 0.00 55.97 56.68 3m17 s LYS 94 Cb -0.15 -2.44 0.02 0.00 -1.01 0.00 0.00 37.83 34.25 3m17 s LYS 94 CO -0.06 -0.71 1.39 -0.46 0.51 0.00 0.00 175.35 176.02 3m17 s TRP 95 N -1.42 2.34 -0.36 3.18 -0.00 0.48 -4.89 118.94 118.27 3m17 s TRP 95 Ca 0.64 0.48 -0.26 0.00 -0.00 0.00 0.00 56.10 56.97 3m17 s TRP 95 Cb -0.34 -4.40 0.01 0.00 -0.00 0.00 0.00 33.47 28.75 3m17 s TRP 95 CO 0.41 -1.92 0.91 0.34 -0.00 0.00 0.00 176.95 176.69 3m17 s ASP 96 N 4.20 6.68 1.20 5.86 2.15 -1.26 -4.76 116.67 130.73 3m17 s ASP 96 Ca 0.52 0.60 -0.15 0.00 0.43 0.00 0.00 52.55 53.94 3m17 s ASP 96 Cb -0.11 -2.46 0.23 0.00 -0.30 0.00 0.00 42.92 40.29 3m17 s ASP 96 CO 0.26 -0.83 0.79 -2.11 -0.17 0.00 0.00 175.17 173.11 3m17 n ARG 97 N 6.71 -2.71 -0.44 4.34 1.85 -1.26 -3.41 116.66 121.74 3m17 n ARG 97 Ca 0.07 -1.28 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 3m17 n ARG 97 Cb 0.48 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.67 3m17 n ARG 97 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3m17 n ASP 98 N -4.44 -1.74 -0.85 2.89 5.68 -1.26 -5.16 116.55 111.67 3m17 n ASP 98 Ca 0.11 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.53 3m17 n ASP 98 Cb 0.44 -1.86 0.20 0.00 -1.14 0.00 0.00 41.12 38.75 3m17 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67