#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eez s ILE 1 N 0.00 2.00 -0.21 2.02 1.01 -1.26 -5.02 121.20 119.74 1eez s ILE 1 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1eez s ILE 1 Cb 0.00 -3.00 0.11 0.00 0.01 0.00 0.00 42.46 39.57 1eez s ILE 1 CO 0.00 0.00 0.38 -1.10 0.00 0.00 0.00 174.94 174.22 1eez s GLN 2 N -2.57 0.31 -0.09 2.79 -0.21 -1.26 -4.46 119.66 114.17 1eez s GLN 2 Ca 0.64 0.78 0.01 0.00 0.02 0.00 0.00 55.36 56.81 1eez s GLN 2 Cb -0.44 -0.07 -0.02 0.00 1.00 0.00 0.00 33.01 33.48 1eez s GLN 2 CO 0.55 -0.42 -0.13 1.03 -2.12 0.00 0.00 175.29 174.20 1eez s ARG 3 N 2.56 2.99 0.09 2.91 3.00 -0.38 -4.93 118.95 125.19 1eez s ARG 3 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 55.73 54.82 1eez s ARG 3 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 34.95 32.22 1eez s ARG 3 CO -0.14 0.42 0.93 -0.08 0.00 0.00 0.00 175.30 176.43 1eez s THR 4 N -0.18 4.59 0.23 0.02 -1.32 -1.26 -1.71 115.64 116.01 1eez s THR 4 Ca 0.00 2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 62.18 1eez s THR 4 Cb -0.13 -4.29 -0.09 0.00 -1.51 0.00 0.00 72.50 66.48 1eez s THR 4 CO 0.03 0.30 1.31 -2.16 -2.21 0.00 0.00 174.62 171.90 1eez s PRO 5 N 0.12 4.38 0.19 7.08 0.04 -1.26 -4.31 135.00 141.25 1eez s PRO 5 Ca 0.46 2.10 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 1eez s PRO 5 Cb -0.23 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 1eez s PRO 5 CO 0.28 -0.23 0.57 0.15 0.04 0.00 0.00 177.00 177.81 1eez s LYS 6 N -0.52 3.92 -0.04 4.56 1.02 0.97 -4.87 119.74 124.77 1eez s LYS 6 Ca 0.55 0.44 0.03 0.00 0.02 0.00 0.00 55.97 57.01 1eez s LYS 6 Cb -0.37 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1eez s LYS 6 CO 0.42 0.39 -0.14 0.42 -0.92 0.00 0.00 175.35 175.51 1eez s ILE 7 N -1.64 1.22 -0.06 2.17 1.01 -1.26 -1.91 121.20 120.73 1eez s ILE 7 Ca 0.43 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1eez s ILE 7 Cb -0.13 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1eez s ILE 7 CO 0.20 0.36 0.01 -1.10 0.00 0.00 0.00 174.94 174.41 1eez s GLN 8 N 0.21 0.45 -0.23 2.79 -0.21 -0.84 -4.99 119.66 116.84 1eez s GLN 8 Ca -0.06 0.15 -0.05 0.00 0.02 0.00 0.00 55.36 55.42 1eez s GLN 8 Cb -0.12 -0.83 -0.01 0.00 1.00 0.00 0.00 33.01 33.05 1eez s GLN 8 CO 0.02 -0.29 -0.01 0.08 -2.12 0.00 0.00 175.29 172.97 1eez s VAL 9 N 1.90 3.62 0.22 1.09 1.01 -1.26 -0.82 120.40 126.15 1eez s VAL 9 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1eez s VAL 9 Cb -0.12 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.64 1eez s VAL 9 CO -0.04 0.40 0.66 -0.72 0.00 0.00 0.00 175.10 175.39 1eez s TYR 10 N 1.51 -0.35 0.21 5.22 1.13 -0.26 -4.57 117.35 120.24 1eez s TYR 10 Ca 0.06 0.01 -0.00 0.00 -1.41 0.00 0.00 57.07 55.73 1eez s TYR 10 Cb -0.14 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1eez s TYR 10 CO -0.01 -1.05 0.40 -1.54 -2.51 0.00 0.00 175.55 170.84 1eez s SER 11 N -2.84 6.38 0.18 -0.18 1.04 -1.26 0.11 113.70 117.12 1eez s SER 11 Ca 0.06 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 1eez s SER 11 Cb -0.03 -2.00 0.06 0.00 0.10 0.00 0.00 66.02 64.15 1eez s SER 11 CO -0.03 -0.06 1.65 -0.09 0.98 0.00 0.00 173.24 175.70 1eez h ARG 12 N 1.90 1.03 -6.06 4.02 2.43 -1.49 -3.45 114.38 112.76 1eez h ARG 12 Ca -0.48 -0.30 -0.61 0.00 -0.81 0.00 0.00 59.98 57.77 1eez h ARG 12 Cb 1.19 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.50 1eez h ARG 12 CO 0.67 0.99 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.40 1eez s HIS 13 N -5.11 2.37 0.32 2.20 3.76 -1.26 -5.04 115.29 112.53 1eez s HIS 13 Ca -0.12 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 1eez s HIS 13 Cb 0.13 -1.22 -0.12 0.00 1.11 0.00 0.00 32.58 32.48 1eez s HIS 13 CO 0.84 0.64 1.40 -2.30 -0.85 0.00 0.00 174.74 174.46 1eez n PRO 14 N -0.74 2.29 -2.35 8.40 -0.02 -1.26 -4.88 135.00 136.45 1eez n PRO 14 Ca -0.05 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 1eez n PRO 14 Cb 0.62 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1eez n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1eez s ALA 15 N -0.71 3.61 -0.13 3.55 0.00 -1.26 -5.01 121.76 121.81 1eez s ALA 15 Ca 0.59 0.61 -0.00 0.00 0.00 0.00 0.00 51.96 53.16 1eez s ALA 15 Cb -0.56 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 18.97 1eez s ALA 15 CO 0.58 -1.09 -0.11 -1.21 0.00 0.00 0.00 175.76 173.93 1eez s GLU 16 N 3.18 1.90 0.13 0.00 2.02 -1.26 -5.10 118.70 119.57 1eez s GLU 16 Ca 0.59 -0.42 -0.35 0.00 0.02 0.00 0.00 54.97 54.81 1eez s GLU 16 Cb -0.25 -1.87 -0.15 0.00 0.10 0.00 0.00 34.13 31.96 1eez s GLU 16 CO 0.20 -0.26 1.41 0.09 0.02 0.00 0.00 175.26 176.72 1eez n ASN 17 N 4.85 2.21 0.00 -0.19 3.02 -1.25 -1.80 115.26 122.11 1eez n ASN 17 Ca -0.15 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 1eez n ASN 17 Cb 0.50 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1eez n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1eez n GLY 18 N 2.77 0.66 3.19 7.41 0.00 0.36 -4.99 105.19 114.57 1eez n GLY 18 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1eez n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eez s LYS 19 N -0.19 2.92 0.18 1.61 1.02 -0.74 -4.99 119.74 119.53 1eez s LYS 19 Ca 0.00 -0.83 -0.32 0.00 0.02 0.00 0.00 55.97 54.84 1eez s LYS 19 Cb 0.00 -2.26 -0.16 0.00 -0.52 0.00 0.00 37.83 34.90 1eez s LYS 19 CO 0.00 0.11 1.14 0.43 -0.92 0.00 0.00 175.35 176.11 1eez n SER 20 N 3.71 1.26 -1.01 2.83 7.64 -1.26 -4.15 113.62 122.63 1eez n SER 20 Ca -0.19 1.14 -0.00 0.00 1.01 0.00 0.00 58.87 60.83 1eez n SER 20 Cb 0.52 -1.21 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1eez n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1eez n ASN 21 N 1.95 -0.01 -4.00 6.43 2.85 0.12 -4.98 115.26 117.61 1eez n ASN 21 Ca 0.15 -1.01 -0.22 0.00 -0.11 0.00 0.00 54.58 53.38 1eez n ASN 21 Cb 0.25 0.02 -0.16 0.00 1.24 0.00 0.00 39.78 41.13 1eez n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1eez s PHE 22 N -7.04 1.14 -0.24 1.20 0.40 -1.26 -1.25 117.98 110.93 1eez s PHE 22 Ca 0.00 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 55.86 1eez s PHE 22 Cb -0.00 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 1eez s PHE 22 CO 0.00 -0.18 0.25 -1.17 0.70 0.00 0.00 175.22 174.82 1eez s LEU 23 N 0.47 4.10 0.09 -0.37 2.96 -0.02 -1.08 118.68 124.84 1eez s LEU 23 Ca -0.09 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1eez s LEU 23 Cb -0.12 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 1eez s LEU 23 CO 0.02 -0.02 -0.14 0.20 -1.32 0.00 0.00 176.35 175.09 1eez s ASN 24 N 1.21 4.15 -0.19 3.68 0.01 0.30 -2.19 114.94 121.91 1eez s ASN 24 Ca 0.11 -0.43 -0.04 0.00 -0.71 0.00 0.00 52.86 51.79 1eez s ASN 24 Cb -0.14 -0.72 0.07 0.00 0.41 0.00 0.00 41.25 40.86 1eez s ASN 24 CO 0.07 0.20 0.08 0.00 -1.51 0.00 0.00 177.10 175.94 1eez s TYR 26 N 2.05 3.22 -0.14 0.00 5.04 -0.00 -1.18 117.35 126.34 1eez s TYR 26 Ca 0.02 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.27 1eez s TYR 26 Cb -0.16 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 1eez s TYR 26 CO -0.12 -0.41 0.02 0.14 -1.34 0.00 0.00 175.55 173.83 1eez s VAL 27 N 1.69 4.40 0.27 3.14 -7.23 -0.83 -1.98 120.40 119.86 1eez s VAL 27 Ca 0.06 -0.19 -0.09 0.00 -1.81 0.00 0.00 61.98 59.94 1eez s VAL 27 Cb -0.18 -2.92 -0.00 0.00 0.56 0.00 0.00 36.38 33.84 1eez s VAL 27 CO 0.10 0.53 0.45 -0.94 -0.31 0.00 0.00 175.10 174.93 1eez s SER 28 N -0.17 0.18 -1.92 4.85 1.04 -0.80 -1.29 113.70 115.58 1eez s SER 28 Ca 0.05 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1eez s SER 28 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1eez s SER 28 CO 0.02 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.68 1eez n GLY 29 N -0.42 1.77 3.93 7.32 0.00 -0.09 -0.02 105.19 117.68 1eez n GLY 29 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 1eez n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1eez s PHE 30 N -2.66 3.04 -0.29 1.61 -0.71 -1.20 -4.17 117.98 113.60 1eez s PHE 30 Ca 0.00 -0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.44 1eez s PHE 30 Cb 0.00 -1.89 0.16 0.00 -1.21 0.00 0.00 43.02 40.08 1eez s PHE 30 CO 0.00 0.09 1.14 -1.58 -1.34 0.00 0.00 175.22 173.54 1eez s HIS 31 N -2.22 -0.34 1.10 3.49 2.46 -0.69 -1.57 115.29 117.52 1eez s HIS 31 Ca 0.43 0.75 -0.19 0.00 0.47 0.00 0.00 55.06 56.52 1eez s HIS 31 Cb -0.08 0.33 0.28 0.00 -0.13 0.00 0.00 32.58 32.97 1eez s HIS 31 CO 0.29 -0.17 0.95 -0.35 -2.47 0.00 0.00 174.74 172.99 1eez n PRO 32 N 2.69 -3.04 0.21 2.88 -0.04 -1.26 -1.25 135.00 135.20 1eez n PRO 32 Ca -0.15 -1.52 0.09 0.00 -0.04 0.00 0.00 63.50 61.88 1eez n PRO 32 Cb 0.57 -1.46 0.41 0.00 -0.04 0.00 0.00 33.50 32.97 1eez n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1eez h SER 33 N -2.60 0.00 -2.42 3.54 4.64 -2.00 -3.44 113.55 111.27 1eez h SER 33 Ca -0.36 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.43 1eez h SER 33 Cb 1.11 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1eez h SER 33 CO 0.23 0.26 1.19 0.47 -0.87 0.00 0.00 176.83 178.11 1eez n ASP 34 N -3.39 4.14 -3.69 4.97 9.92 -1.26 -4.94 116.55 122.31 1eez n ASP 34 Ca 0.00 0.94 -0.14 0.00 -0.53 0.00 0.00 54.79 55.06 1eez n ASP 34 Cb 0.46 -1.54 -0.09 0.00 -0.64 0.00 0.00 41.12 39.32 1eez n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1eez s ILE 35 N 3.76 0.01 -0.29 0.53 2.07 -1.26 -4.65 121.20 121.37 1eez s ILE 35 Ca 0.86 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.94 1eez s ILE 35 Cb -0.45 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.42 1eez s ILE 35 CO 0.40 -0.05 0.09 -0.70 -1.91 0.00 0.00 174.94 172.77 1eez s GLU 36 N -0.22 3.26 -0.12 3.50 2.12 0.40 -4.98 118.70 122.66 1eez s GLU 36 Ca -0.04 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.55 1eez s GLU 36 Cb -0.03 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.98 1eez s GLU 36 CO 0.03 -0.39 -0.12 0.08 -0.54 0.00 0.00 175.26 174.32 1eez s VAL 37 N 1.55 1.33 0.04 3.70 1.01 -1.26 -0.06 120.40 126.70 1eez s VAL 37 Ca 0.04 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1eez s VAL 37 Cb -0.17 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1eez s VAL 37 CO 0.03 0.41 -0.16 -1.81 0.00 0.00 0.00 175.10 173.57 1eez s ASP 38 N 1.36 1.96 -0.17 3.32 1.01 -0.09 -5.00 116.67 119.05 1eez s ASP 38 Ca 0.00 -0.47 -0.07 0.00 0.71 0.00 0.00 52.55 52.72 1eez s ASP 38 Cb -0.14 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.61 1eez s ASP 38 CO -0.06 0.09 0.07 -0.76 0.21 0.00 0.00 175.17 174.72 1eez s LEU 39 N -1.10 3.91 0.02 1.23 1.43 -1.26 -0.99 118.68 121.91 1eez s LEU 39 Ca 0.04 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1eez s LEU 39 Cb -0.08 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1eez s LEU 39 CO 0.01 0.21 -0.09 -0.76 0.23 0.00 0.00 176.35 175.95 1eez s LEU 40 N 0.18 3.06 -0.29 1.79 1.43 0.91 -0.37 118.68 125.40 1eez s LEU 40 Ca 0.05 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1eez s LEU 40 Cb -0.12 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.41 1eez s LEU 40 CO 0.00 0.27 -0.00 -0.75 0.23 0.00 0.00 176.35 176.10 1eez s LYS 41 N -1.47 1.52 -1.41 1.70 2.20 0.19 -1.65 119.74 120.81 1eez s LYS 41 Ca 0.17 -1.35 -0.10 0.00 -0.36 0.00 0.00 55.97 54.33 1eez s LYS 41 Cb -0.11 -2.74 0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1eez s LYS 41 CO 0.08 -0.77 1.11 0.09 -0.36 0.00 0.00 175.35 175.50 1eez n ASN 42 N 4.52 -6.01 0.00 1.43 3.02 0.83 -2.01 115.26 117.04 1eez n ASN 42 Ca -0.05 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1eez n ASN 42 Cb 0.43 -4.74 0.00 0.00 -0.61 0.00 0.00 39.78 34.85 1eez n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1eez n GLY 43 N -1.92 2.63 3.85 7.41 0.00 -1.26 -5.04 105.19 110.87 1eez n GLY 43 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1eez n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1eez s GLU 44 N -0.40 3.74 0.06 1.61 2.12 -0.85 -5.01 118.70 119.97 1eez s GLU 44 Ca 0.00 0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.23 1eez s GLU 44 Cb 0.00 -3.20 -0.08 0.00 0.26 0.00 0.00 34.13 31.11 1eez s GLU 44 CO 0.00 0.72 1.58 0.50 -0.54 0.00 0.00 175.26 177.52 1eez s ARG 45 N -1.11 4.22 0.07 4.30 3.52 -1.26 -0.64 118.95 128.05 1eez s ARG 45 Ca 0.21 2.24 -0.30 0.00 -0.13 0.00 0.00 55.73 57.75 1eez s ARG 45 Cb -0.15 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 1eez s ARG 45 CO 0.10 -0.68 1.06 0.42 -0.81 0.00 0.00 175.30 175.39 1eez s ILE 46 N 2.43 4.41 -0.05 4.11 1.01 0.50 -4.91 121.20 128.71 1eez s ILE 46 Ca 0.71 1.83 -0.26 0.00 0.00 0.00 0.00 60.65 62.93 1eez s ILE 46 Cb -0.38 -4.17 -0.21 0.00 0.01 0.00 0.00 42.46 37.71 1eez s ILE 46 CO 0.31 0.20 1.14 -0.33 0.00 0.00 0.00 174.94 176.25 1eez h GLU 47 N 6.29 0.04 -4.75 2.79 5.08 -1.93 -3.40 114.58 118.72 1eez h GLU 47 Ca -0.42 -0.03 -0.73 0.00 -1.00 0.00 0.00 59.36 57.18 1eez h GLU 47 Cb 1.22 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 1eez h GLU 47 CO 0.76 0.66 1.77 1.17 -1.00 0.00 0.00 179.01 182.37 1eez n LYS 48 N -4.74 3.34 -4.14 2.33 4.81 -1.26 -4.94 118.16 113.56 1eez n LYS 48 Ca -0.09 -3.59 -0.34 0.00 -0.87 0.00 0.00 58.31 53.42 1eez n LYS 48 Cb 0.33 -3.14 -0.15 0.00 0.02 0.00 0.00 35.03 32.09 1eez n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1eez s VAL 49 N 2.06 2.73 0.41 3.15 1.01 -1.26 -4.60 120.40 123.89 1eez s VAL 49 Ca 0.45 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1eez s VAL 49 Cb 0.02 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1eez s VAL 49 CO 0.01 0.49 0.44 -1.61 0.00 0.00 0.00 175.10 174.43 1eez s GLU 50 N 1.24 2.68 -0.03 2.72 2.02 -0.59 -4.91 118.70 121.81 1eez s GLU 50 Ca 0.03 -1.39 -0.19 0.00 0.02 0.00 0.00 54.97 53.43 1eez s GLU 50 Cb -0.14 -2.53 0.04 0.00 0.10 0.00 0.00 34.13 31.59 1eez s GLU 50 CO -0.06 -0.18 0.41 -3.38 0.02 0.00 0.00 175.26 172.07 1eez s HIS 51 N -2.40 -0.32 1.10 1.61 -3.43 -1.26 -1.06 115.29 109.52 1eez s HIS 51 Ca 0.50 0.55 -0.12 0.00 -0.80 0.00 0.00 55.06 55.18 1eez s HIS 51 Cb -0.06 0.18 0.25 0.00 -1.43 0.00 0.00 32.58 31.52 1eez s HIS 51 CO 0.30 -0.44 1.06 -1.54 -2.00 0.00 0.00 174.74 172.12 1eez s SER 52 N -1.20 1.49 0.12 7.38 1.04 0.01 -4.94 113.70 117.59 1eez s SER 52 Ca -0.12 1.72 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 1eez s SER 52 Cb -0.04 -2.39 -0.06 0.00 0.10 0.00 0.00 66.02 63.63 1eez s SER 52 CO 0.06 -3.92 1.07 -1.81 0.98 0.00 0.00 173.24 169.62 1eez s ASP 53 N -2.55 7.29 0.04 7.02 1.01 -1.26 -4.67 116.67 123.56 1eez s ASP 53 Ca 0.68 1.95 -0.36 0.00 0.71 0.00 0.00 52.55 55.54 1eez s ASP 53 Cb -0.24 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 40.95 1eez s ASP 53 CO 0.63 -0.24 1.56 -0.11 0.21 0.00 0.00 175.17 177.22 1eez n LEU 54 N 2.98 2.55 -4.11 1.23 7.94 -1.26 -4.93 117.00 121.39 1eez n LEU 54 Ca 0.04 1.08 -0.14 0.00 -1.11 0.00 0.00 56.01 55.89 1eez n LEU 54 Cb 0.47 -1.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.07 1eez n LEU 54 CO 0.53 -0.54 0.05 -0.55 -1.11 0.00 0.00 177.39 175.77 1eez s SER 55 N 1.58 0.65 0.22 1.96 0.15 -1.23 -5.06 113.70 111.97 1eez s SER 55 Ca 0.85 -1.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.08 1eez s SER 55 Cb -0.83 0.58 -0.03 0.00 -1.71 0.00 0.00 66.02 64.03 1eez s SER 55 CO 0.47 -1.15 0.23 0.72 1.20 0.00 0.00 173.24 174.70 1eez s PHE 56 N -3.51 0.96 0.61 3.44 -0.71 -1.26 -1.76 117.98 115.75 1eez s PHE 56 Ca 0.32 -1.21 0.06 0.00 -1.04 0.00 0.00 56.93 55.05 1eez s PHE 56 Cb 0.01 -0.36 0.09 0.00 -1.21 0.00 0.00 43.02 41.56 1eez s PHE 56 CO 0.17 -0.74 0.85 -1.12 -1.34 0.00 0.00 175.22 173.04 1eez s SER 57 N -3.13 4.88 0.37 1.98 0.01 -0.29 -4.93 113.70 112.59 1eez s SER 57 Ca 0.35 -0.62 0.15 0.00 1.31 0.00 0.00 55.95 57.14 1eez s SER 57 Cb 0.05 0.08 1.01 0.00 0.21 0.00 0.00 66.02 67.37 1eez s SER 57 CO 0.12 -1.48 1.76 0.11 0.41 0.00 0.00 173.24 174.16 1eez h LYS 58 N -0.04 0.46 -0.50 12.44 1.57 -2.03 0.95 116.57 129.42 1eez h LYS 58 Ca -0.33 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1eez h LYS 58 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1eez h LYS 58 CO 0.41 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.20 1eez n ASP 59 N -4.72 1.89 0.00 0.86 5.75 -1.26 -4.90 116.55 114.16 1eez n ASP 59 Ca 0.26 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1eez n ASP 59 Cb 0.82 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1eez n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1eez n TRP 60 N 0.24 0.00 -2.12 2.11 7.02 0.33 -5.00 117.44 120.01 1eez n TRP 60 Ca 0.09 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.17 1eez n TRP 60 Cb 0.36 -0.19 -0.02 0.00 -2.42 0.00 0.00 31.31 29.05 1eez n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1eez s SER 61 N -3.21 6.58 0.62 -0.99 1.04 -1.26 -4.61 113.70 111.88 1eez s SER 61 Ca 0.00 2.63 -0.11 0.00 0.48 0.00 0.00 55.95 58.95 1eez s SER 61 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 1eez s SER 61 CO 0.00 -0.66 1.02 -0.36 0.98 0.00 0.00 173.24 174.22 1eez s PHE 62 N -1.22 3.58 -0.19 5.02 0.08 -0.61 -1.14 117.98 123.52 1eez s PHE 62 Ca 0.53 1.22 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 1eez s PHE 62 Cb -0.38 -2.74 0.05 0.00 -0.57 0.00 0.00 43.02 39.38 1eez s PHE 62 CO 0.49 -0.73 0.48 1.52 -0.10 0.00 0.00 175.22 176.89 1eez s TYR 63 N -3.17 -0.58 0.01 0.36 -0.85 -0.72 -0.92 117.35 111.48 1eez s TYR 63 Ca 0.55 1.35 -0.02 0.00 -0.52 0.00 0.00 57.07 58.43 1eez s TYR 63 Cb -0.11 0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 1eez s TYR 63 CO 0.53 -0.29 0.03 -0.51 -1.52 0.00 0.00 175.55 173.79 1eez s LEU 64 N 0.58 1.99 -0.23 -3.49 1.43 -0.41 -3.48 118.68 115.07 1eez s LEU 64 Ca -0.03 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1eez s LEU 64 Cb -0.05 0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.45 1eez s LEU 64 CO -0.03 -0.28 -0.05 -0.22 0.23 0.00 0.00 176.35 175.99 1eez s LEU 65 N -1.23 2.98 -0.13 1.79 2.96 -1.26 -1.97 118.68 121.81 1eez s LEU 65 Ca -0.13 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 1eez s LEU 65 Cb -0.08 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1eez s LEU 65 CO -0.00 -0.07 0.11 -0.31 -1.32 0.00 0.00 176.35 174.77 1eez s TYR 66 N 1.41 3.48 0.01 5.38 1.51 -0.33 -0.81 117.35 128.00 1eez s TYR 66 Ca 0.04 0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 56.27 1eez s TYR 66 Cb -0.15 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1eez s TYR 66 CO -0.04 0.57 0.53 1.52 -1.11 0.00 0.00 175.55 177.02 1eez s TYR 67 N -0.65 -0.44 0.02 2.71 1.13 -0.23 -0.61 117.35 119.27 1eez s TYR 67 Ca 0.12 0.60 -0.10 0.00 -1.41 0.00 0.00 57.07 56.29 1eez s TYR 67 Cb -0.12 0.32 0.01 0.00 -1.10 0.00 0.00 41.96 41.07 1eez s TYR 67 CO 0.02 -0.60 0.21 -0.08 -2.51 0.00 0.00 175.55 172.60 1eez s THR 68 N -1.96 0.09 0.27 -3.49 -1.32 -0.93 -1.55 115.64 106.74 1eez s THR 68 Ca -0.08 -0.73 -0.27 0.00 -1.21 0.00 0.00 61.69 59.40 1eez s THR 68 Cb -0.01 -0.71 -0.09 0.00 -1.51 0.00 0.00 72.50 70.18 1eez s THR 68 CO 0.02 -0.40 0.91 -1.61 -2.21 0.00 0.00 174.62 171.33 1eez s GLU 69 N -1.94 4.68 0.22 7.08 2.02 -1.26 -0.84 118.70 128.67 1eez s GLU 69 Ca -0.10 1.35 -0.22 0.00 0.02 0.00 0.00 54.97 56.02 1eez s GLU 69 Cb -0.04 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.18 1eez s GLU 69 CO -0.00 0.42 0.71 -0.59 0.02 0.00 0.00 175.26 175.81 1eez s PHE 70 N -1.37 -0.31 -0.33 1.61 -0.71 -0.38 -4.86 117.98 111.62 1eez s PHE 70 Ca 0.44 -0.03 0.03 0.00 -1.04 0.00 0.00 56.93 56.33 1eez s PHE 70 Cb -0.22 0.64 0.10 0.00 -1.21 0.00 0.00 43.02 42.33 1eez s PHE 70 CO 0.27 -1.04 0.04 0.99 -1.34 0.00 0.00 175.22 174.15 1eez s THR 71 N -3.77 2.02 0.18 -4.49 2.01 -1.26 0.15 115.64 110.48 1eez s THR 71 Ca 0.07 -2.12 -0.32 0.00 0.31 0.00 0.00 61.69 59.64 1eez s THR 71 Cb -0.04 -2.47 -0.12 0.00 0.01 0.00 0.00 72.50 69.88 1eez s THR 71 CO -0.01 -0.56 1.74 -0.81 -0.69 0.00 0.00 174.62 174.29 1eez n PRO 72 N 4.37 2.69 -4.21 4.92 -0.04 -1.26 -4.69 135.00 136.78 1eez n PRO 72 Ca 0.01 0.97 -0.23 0.00 -0.04 0.00 0.00 63.50 64.22 1eez n PRO 72 Cb 0.42 -2.82 -0.07 0.00 -0.04 0.00 0.00 33.50 30.99 1eez n PRO 72 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1eez s THR 73 N 1.57 3.48 -0.03 0.52 -1.32 -1.26 -0.49 115.64 118.11 1eez s THR 73 Ca 0.78 -1.78 0.29 0.00 -1.21 0.00 0.00 61.69 59.76 1eez s THR 73 Cb -0.52 -2.96 0.34 0.00 -1.51 0.00 0.00 72.50 67.84 1eez s THR 73 CO 0.34 -0.32 1.85 1.05 -2.21 0.00 0.00 174.62 175.33 1eez h GLU 74 N 1.73 0.00 0.00 7.08 4.11 -1.96 -3.25 114.58 122.29 1eez h GLU 74 Ca -0.45 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.70 1eez h GLU 74 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1eez h GLU 74 CO 0.61 0.06 -1.85 1.17 0.07 0.00 0.00 179.01 179.07 1eez n LYS 75 N -3.15 0.65 -2.48 1.06 4.81 -1.26 -4.96 118.16 112.83 1eez n LYS 75 Ca 0.01 0.18 -0.41 0.00 -0.87 0.00 0.00 58.31 57.23 1eez n LYS 75 Cb 0.40 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 33.70 1eez n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1eez s ASP 76 N -5.81 7.22 -0.03 3.14 1.01 -1.23 -5.04 116.67 115.92 1eez s ASP 76 Ca -0.06 2.11 0.03 0.00 0.71 0.00 0.00 52.55 55.34 1eez s ASP 76 Cb 0.08 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1eez s ASP 76 CO 0.83 -0.27 -0.09 -1.61 0.21 0.00 0.00 175.17 174.24 1eez s GLU 77 N -0.26 2.58 0.15 8.23 2.02 -1.26 -4.76 118.70 125.41 1eez s GLU 77 Ca 0.51 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.88 1eez s GLU 77 Cb -0.30 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 1eez s GLU 77 CO 0.35 0.63 -0.12 0.71 0.02 0.00 0.00 175.26 176.85 1eez s TYR 78 N -0.86 1.40 0.30 1.61 2.02 -1.26 -0.12 117.35 120.43 1eez s TYR 78 Ca 0.14 -0.66 -0.20 0.00 -0.37 0.00 0.00 57.07 55.98 1eez s TYR 78 Cb -0.11 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.79 1eez s TYR 78 CO 0.03 0.16 0.76 0.00 -1.57 0.00 0.00 175.55 174.93 1eez s ALA 79 N -2.95 -1.12 -0.11 3.71 0.00 -0.66 -0.98 121.76 119.65 1eez s ALA 79 Ca 0.16 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1eez s ALA 79 Cb -0.00 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1eez s ALA 79 CO 0.03 -1.03 -0.07 0.00 0.00 0.00 0.00 175.76 174.69 1eez s ARG 81 N 1.73 3.86 0.03 0.00 3.52 -0.16 -0.50 118.95 127.43 1eez s ARG 81 Ca 0.05 -0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.35 1eez s ARG 81 Cb -0.13 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1eez s ARG 81 CO -0.08 0.01 -0.24 0.08 -0.81 0.00 0.00 175.30 174.26 1eez s VAL 82 N 1.11 1.95 -0.01 7.11 1.01 0.22 -0.91 120.40 130.88 1eez s VAL 82 Ca 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1eez s VAL 82 Cb -0.14 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1eez s VAL 82 CO 0.04 0.34 -0.01 0.21 0.00 0.00 0.00 175.10 175.68 1eez s ASN 83 N -1.11 0.21 0.15 3.32 3.04 0.91 0.29 114.94 121.75 1eez s ASN 83 Ca 0.10 -0.02 -0.18 0.00 0.04 0.00 0.00 52.86 52.79 1eez s ASN 83 Cb -0.09 -0.06 0.04 0.00 -1.54 0.00 0.00 41.25 39.60 1eez s ASN 83 CO 0.01 -0.01 0.48 -2.28 -3.04 0.00 0.00 177.10 172.27 1eez s HIS 84 N 0.24 -0.29 0.65 0.43 5.65 -1.26 -0.45 115.29 120.26 1eez s HIS 84 Ca -0.02 -0.00 0.36 0.00 0.25 0.00 0.00 55.06 55.65 1eez s HIS 84 Cb -0.04 0.37 1.95 0.00 -1.18 0.00 0.00 32.58 33.69 1eez s HIS 84 CO -0.01 -0.79 2.10 -0.39 -0.65 0.00 0.00 174.74 175.00 1eez h VAL 85 N 2.22 0.00 -0.35 0.89 -1.51 -1.94 -0.67 116.25 114.89 1eez h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1eez h VAL 85 Cb 1.27 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1eez h VAL 85 CO 0.42 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 1eez n THR 86 N -2.95 0.46 -4.57 7.19 -2.24 -1.26 -4.82 114.28 106.09 1eez n THR 86 Ca -0.02 -0.51 -0.31 0.00 -2.27 0.00 0.00 64.05 60.94 1eez n THR 86 Cb 0.25 0.34 -0.17 0.00 -2.10 0.00 0.00 70.33 68.65 1eez n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1eez s LEU 87 N -1.18 1.94 0.23 3.22 1.43 -0.26 -4.96 118.68 119.10 1eez s LEU 87 Ca 0.30 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1eez s LEU 87 Cb 0.16 -1.29 0.21 0.00 0.03 0.00 0.00 46.19 45.30 1eez s LEU 87 CO 0.22 0.05 1.73 0.77 0.23 0.00 0.00 176.35 179.35 1eez h SER 88 N 7.38 0.94 -4.71 2.29 4.64 -1.88 -3.43 113.55 118.78 1eez h SER 88 Ca -0.32 -0.22 -0.21 0.00 -0.47 0.00 0.00 61.79 60.57 1eez h SER 88 Cb 1.18 -0.25 -0.15 0.00 -0.31 0.00 0.00 62.40 62.87 1eez h SER 88 CO 0.53 0.95 -0.70 0.00 -0.87 0.00 0.00 176.83 176.74 1eez s GLN 89 N -5.14 0.79 0.35 4.77 -2.07 -1.26 -5.12 119.66 111.98 1eez s GLN 89 Ca -0.11 -1.30 -0.26 0.00 -1.82 0.00 0.00 55.36 51.87 1eez s GLN 89 Cb 0.15 -0.14 -0.13 0.00 -1.09 0.00 0.00 33.01 31.80 1eez s GLN 89 CO 0.83 -0.03 0.91 -2.30 -1.32 0.00 0.00 175.29 173.38 1eez n PRO 90 N 0.03 1.16 -3.82 9.60 -0.02 -1.26 -4.94 135.00 135.76 1eez n PRO 90 Ca -0.13 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 1eez n PRO 90 Cb 0.61 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 32.16 1eez n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1eez s LYS 91 N -1.67 3.79 -0.20 -0.52 2.47 0.14 -4.90 119.74 118.85 1eez s LYS 91 Ca 0.61 -0.42 -0.02 0.00 -1.56 0.00 0.00 55.97 54.58 1eez s LYS 91 Cb -0.65 -3.34 -0.00 0.00 -1.46 0.00 0.00 37.83 32.38 1eez s LYS 91 CO 0.59 -0.05 -0.10 0.42 0.16 0.00 0.00 175.35 176.37 1eez s ILE 92 N 1.28 2.99 -0.16 5.43 1.01 -1.26 0.71 121.20 131.20 1eez s ILE 92 Ca 0.05 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1eez s ILE 92 Cb -0.15 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1eez s ILE 92 CO 0.04 0.47 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 1eez s VAL 93 N 1.27 2.71 0.36 2.92 1.01 0.34 -4.93 120.40 124.09 1eez s VAL 93 Ca 0.03 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 1eez s VAL 93 Cb -0.14 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1eez s VAL 93 CO -0.04 0.51 0.94 -0.54 0.00 0.00 0.00 175.10 175.96 1eez s LYS 94 N 0.83 4.42 0.14 2.72 1.02 -1.26 0.14 119.74 127.75 1eez s LYS 94 Ca -0.05 1.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 1eez s LYS 94 Cb -0.15 -2.54 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 1eez s LYS 94 CO -0.00 0.15 0.97 -0.46 -0.92 0.00 0.00 175.35 175.09 1eez s TRP 95 N -1.85 3.82 -0.14 3.18 -0.00 -0.15 -4.87 118.94 118.92 1eez s TRP 95 Ca 0.55 1.80 -0.01 0.00 -0.00 0.00 0.00 56.10 58.43 1eez s TRP 95 Cb -0.14 -3.07 0.04 0.00 -0.00 0.00 0.00 33.47 30.30 1eez s TRP 95 CO 0.19 0.16 -0.02 0.34 -0.00 0.00 0.00 176.95 177.62 1eez s ASP 96 N -0.20 2.39 0.00 5.86 -1.08 -1.26 -4.76 116.67 117.62 1eez s ASP 96 Ca 0.46 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1eez s ASP 96 Cb -0.24 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.53 1eez s ASP 96 CO 0.31 -0.21 0.61 0.54 0.52 0.00 0.00 175.17 176.94 1eez n ARG 97 N 5.01 0.00 -0.37 4.34 1.74 -1.26 -1.08 116.66 125.03 1eez n ARG 97 Ca -0.10 0.18 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 1eez n ARG 97 Cb 0.49 -1.63 0.22 0.00 -1.02 0.00 0.00 32.46 30.52 1eez n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1eez n ASP 98 N -1.11 3.38 0.00 0.55 8.00 -1.26 -4.89 116.55 121.23 1eez n ASP 98 Ca 0.00 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.40 1eez n ASP 98 Cb 0.13 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 1eez n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04