#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s ILE 1 N 0.00 4.53 0.12 1.12 1.09 -1.26 -5.09 121.20 121.71 1im3 s ILE 1 Ca 0.00 -0.11 0.07 0.00 -1.10 0.00 0.00 60.65 59.51 1im3 s ILE 1 Cb 0.00 -3.09 -0.04 0.00 -1.06 0.00 0.00 42.46 38.27 1im3 s ILE 1 CO 0.00 0.37 -0.07 -1.10 -0.10 0.00 0.00 174.94 174.05 1im3 s GLN 2 N 1.21 2.23 -0.03 2.79 -0.21 -1.26 -4.72 119.66 119.67 1im3 s GLN 2 Ca 0.05 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.38 1im3 s GLN 2 Cb -0.14 -2.34 0.02 0.00 1.00 0.00 0.00 33.01 31.54 1im3 s GLN 2 CO 0.04 0.50 0.08 1.03 -2.12 0.00 0.00 175.29 174.82 1im3 s ARG 3 N -2.40 0.07 0.36 2.91 0.52 -0.00 -4.93 118.95 115.47 1im3 s ARG 3 Ca 0.23 0.17 -0.22 0.00 -0.52 0.00 0.00 55.73 55.40 1im3 s ARG 3 Cb -0.11 -0.05 -0.10 0.00 0.52 0.00 0.00 34.95 35.21 1im3 s ARG 3 CO 0.15 -0.07 0.90 -0.08 0.02 0.00 0.00 175.30 176.23 1im3 s THR 4 N 0.45 4.37 0.34 0.02 -1.32 -1.26 -1.84 115.64 116.41 1im3 s THR 4 Ca -0.03 1.53 -0.28 0.00 -1.21 0.00 0.00 61.69 61.70 1im3 s THR 4 Cb -0.05 -3.77 -0.10 0.00 -1.51 0.00 0.00 72.50 67.07 1im3 s THR 4 CO -0.02 -0.09 1.24 -2.84 -2.21 0.00 0.00 174.62 170.70 1im3 s PRO 5 N -2.64 4.32 0.17 7.08 0.02 -1.26 -4.34 135.00 138.34 1im3 s PRO 5 Ca 0.55 2.06 -0.08 0.00 0.02 0.00 0.00 61.00 63.54 1im3 s PRO 5 Cb -0.13 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 1im3 s PRO 5 CO 0.18 -0.16 0.46 0.15 -0.33 0.00 0.00 177.00 177.30 1im3 s LYS 6 N -1.86 3.74 -0.03 5.54 1.02 0.32 -4.91 119.74 123.55 1im3 s LYS 6 Ca 0.50 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.65 1im3 s LYS 6 Cb -0.36 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 1im3 s LYS 6 CO 0.47 0.42 -0.03 0.42 -0.92 0.00 0.00 175.35 175.72 1im3 s ILE 7 N -1.67 0.40 -0.05 2.17 1.01 -1.26 -2.14 121.20 119.66 1im3 s ILE 7 Ca 0.42 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 61.03 1im3 s ILE 7 Cb -0.12 -0.44 0.02 0.00 0.01 0.00 0.00 42.46 41.93 1im3 s ILE 7 CO 0.22 0.19 -0.08 -1.10 0.00 0.00 0.00 174.94 174.16 1im3 s GLN 8 N 0.84 1.23 -0.13 2.79 -0.21 -0.54 -4.98 119.66 118.65 1im3 s GLN 8 Ca -0.10 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.03 1im3 s GLN 8 Cb -0.13 -1.09 -0.00 0.00 1.00 0.00 0.00 33.01 32.78 1im3 s GLN 8 CO -0.00 -0.01 -0.17 0.08 -2.12 0.00 0.00 175.29 173.06 1im3 s VAL 9 N 0.71 2.57 0.20 1.09 1.01 -1.26 -0.28 120.40 124.45 1im3 s VAL 9 Ca -0.12 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1im3 s VAL 9 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1im3 s VAL 9 CO 0.02 0.53 0.97 -0.72 0.00 0.00 0.00 175.10 175.90 1im3 s TYR 10 N 0.55 -0.00 0.15 5.22 1.13 -0.40 -4.58 117.35 119.42 1im3 s TYR 10 Ca -0.11 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.20 1im3 s TYR 10 Cb -0.16 0.70 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1im3 s TYR 10 CO 0.04 -0.99 0.09 -1.54 -2.51 0.00 0.00 175.55 170.64 1im3 s SER 11 N -3.17 5.32 0.12 -0.18 1.04 -1.26 0.25 113.70 115.82 1im3 s SER 11 Ca 0.17 -0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.26 1im3 s SER 11 Cb -0.03 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.74 1im3 s SER 11 CO 0.05 0.10 1.67 -0.09 0.98 0.00 0.00 173.24 175.95 1im3 h ARG 12 N 2.71 0.53 -6.20 4.02 2.43 -1.46 -3.44 114.38 112.96 1im3 h ARG 12 Ca -0.47 -0.10 -0.59 0.00 -0.81 0.00 0.00 59.98 58.01 1im3 h ARG 12 Cb 1.19 -0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 1im3 h ARG 12 CO 0.62 0.52 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.88 1im3 s HIS 13 N -5.55 2.46 0.18 2.20 3.76 -1.26 -5.04 115.29 112.04 1im3 s HIS 13 Ca -0.13 -0.29 -0.33 0.00 -0.15 0.00 0.00 55.06 54.16 1im3 s HIS 13 Cb 0.10 -1.08 -0.15 0.00 1.11 0.00 0.00 32.58 32.56 1im3 s HIS 13 CO 0.74 0.68 1.37 -2.30 -0.85 0.00 0.00 174.74 174.38 1im3 n PRO 14 N -0.74 1.71 -2.02 8.40 -0.02 -1.26 -4.86 135.00 136.21 1im3 n PRO 14 Ca -0.06 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 1im3 n PRO 14 Cb 0.60 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1im3 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1im3 s ALA 15 N 0.19 3.68 -0.23 3.55 0.00 -1.26 -5.01 121.76 122.68 1im3 s ALA 15 Ca 0.74 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 1im3 s ALA 15 Cb -0.75 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 18.89 1im3 s ALA 15 CO 0.47 -0.72 0.22 -1.21 0.00 0.00 0.00 175.76 174.53 1im3 s GLU 16 N 0.62 0.21 0.07 0.00 2.02 -1.26 -5.12 118.70 115.24 1im3 s GLU 16 Ca 0.65 0.05 -0.37 0.00 0.02 0.00 0.00 54.97 55.32 1im3 s GLU 16 Cb -0.41 -1.12 -0.18 0.00 0.10 0.00 0.00 34.13 32.52 1im3 s GLU 16 CO 0.35 -0.77 1.10 0.09 0.02 0.00 0.00 175.26 176.05 1im3 n ASN 17 N 5.31 0.49 0.00 -0.19 3.02 -1.26 -0.38 115.26 122.25 1im3 n ASN 17 Ca -0.05 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1im3 n ASN 17 Cb 0.48 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 1im3 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im3 n GLY 18 N 1.89 3.12 3.69 7.41 0.00 -0.75 -5.00 105.19 115.54 1im3 n GLY 18 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1im3 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s LYS 19 N -0.51 4.17 0.32 1.61 -0.14 0.49 -4.99 119.74 120.69 1im3 s LYS 19 Ca 0.00 0.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.34 1im3 s LYS 19 Cb 0.00 -3.50 -0.10 0.00 -1.68 0.00 0.00 37.83 32.55 1im3 s LYS 19 CO 0.00 0.09 1.38 -1.54 -0.76 0.00 0.00 175.35 174.52 1im3 s SER 20 N 0.83 6.65 0.00 2.83 1.04 -1.26 -4.19 113.70 119.60 1im3 s SER 20 Ca 0.15 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.34 1im3 s SER 20 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1im3 s SER 20 CO 0.05 -0.65 0.00 -3.20 0.98 0.00 0.00 173.24 170.42 1im3 n ASN 21 N 1.12 0.00 -3.86 7.02 2.85 0.17 -4.99 115.26 117.57 1im3 n ASN 21 Ca 0.02 -0.01 -0.18 0.00 -0.11 0.00 0.00 54.58 54.30 1im3 n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.27 1im3 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1im3 s PHE 22 N -1.12 0.48 -0.21 1.20 0.40 -1.26 -1.79 117.98 115.68 1im3 s PHE 22 Ca 0.00 -0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 1im3 s PHE 22 Cb 0.00 -0.48 -0.05 0.00 0.51 0.00 0.00 43.02 43.00 1im3 s PHE 22 CO 0.00 -0.14 0.19 -1.17 0.70 0.00 0.00 175.22 174.80 1im3 s LEU 23 N 0.85 4.18 0.05 -0.37 2.96 0.35 -1.03 118.68 125.67 1im3 s LEU 23 Ca -0.10 0.26 0.09 0.00 -0.22 0.00 0.00 54.13 54.16 1im3 s LEU 23 Cb -0.13 -2.17 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1im3 s LEU 23 CO -0.01 0.11 -0.24 0.20 -1.32 0.00 0.00 176.35 175.09 1im3 s ASN 24 N 0.64 3.36 -0.21 3.68 0.01 0.14 -1.62 114.94 120.94 1im3 s ASN 24 Ca 0.10 -0.56 -0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1im3 s ASN 24 Cb -0.12 -0.37 0.06 0.00 0.41 0.00 0.00 41.25 41.22 1im3 s ASN 24 CO 0.02 0.25 -0.01 0.00 -1.51 0.00 0.00 177.10 175.85 1im3 s TYR 26 N 1.65 3.20 -0.12 0.00 5.04 0.61 -0.99 117.35 126.73 1im3 s TYR 26 Ca -0.03 -0.19 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1im3 s TYR 26 Cb -0.18 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.72 1im3 s TYR 26 CO -0.07 -0.31 -0.09 0.14 -1.34 0.00 0.00 175.55 173.88 1im3 s VAL 27 N 1.70 3.41 0.28 3.14 -7.23 -0.47 -1.47 120.40 119.76 1im3 s VAL 27 Ca 0.06 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.60 1im3 s VAL 27 Cb -0.17 -2.44 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 1im3 s VAL 27 CO 0.09 0.53 0.45 -0.94 -0.31 0.00 0.00 175.10 174.92 1im3 s SER 28 N 0.04 0.25 -1.67 4.85 1.04 -0.91 -0.24 113.70 117.06 1im3 s SER 28 Ca -0.03 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1im3 s SER 28 Cb -0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1im3 s SER 28 CO 0.04 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1im3 n GLY 29 N -0.43 1.51 3.81 7.32 0.00 -0.50 -0.52 105.19 116.38 1im3 n GLY 29 Ca -0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1im3 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1im3 s PHE 30 N -2.60 2.97 -0.29 1.61 -0.71 -1.15 -4.36 117.98 113.45 1im3 s PHE 30 Ca 0.00 -0.21 -0.18 0.00 -1.04 0.00 0.00 56.93 55.50 1im3 s PHE 30 Cb 0.00 -1.55 0.14 0.00 -1.21 0.00 0.00 43.02 40.40 1im3 s PHE 30 CO 0.00 0.39 1.00 -1.58 -1.34 0.00 0.00 175.22 173.69 1im3 s HIS 31 N -2.23 -0.54 1.25 3.49 2.46 -0.77 -0.68 115.29 118.27 1im3 s HIS 31 Ca 0.36 1.13 -0.20 0.00 0.47 0.00 0.00 55.06 56.82 1im3 s HIS 31 Cb -0.07 0.35 0.31 0.00 -0.13 0.00 0.00 32.58 33.04 1im3 s HIS 31 CO 0.25 -0.27 1.07 -2.14 -2.47 0.00 0.00 174.74 171.19 1im3 s PRO 32 N 1.04 -1.62 0.46 2.88 0.02 -1.26 -0.82 135.00 135.69 1im3 s PRO 32 Ca -0.06 -0.03 0.25 0.00 0.02 0.00 0.00 61.00 61.19 1im3 s PRO 32 Cb -0.04 -1.55 0.55 0.00 0.02 0.00 0.00 34.50 33.48 1im3 s PRO 32 CO -0.13 -3.98 1.68 0.66 -0.33 0.00 0.00 177.00 174.90 1im3 h SER 33 N -2.78 0.00 -2.56 2.53 4.64 -1.99 -3.45 113.55 109.94 1im3 h SER 33 Ca -0.45 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1im3 h SER 33 Cb 1.30 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.45 1im3 h SER 33 CO 0.33 0.02 1.03 0.47 -0.87 0.00 0.00 176.83 177.81 1im3 n ASP 34 N -3.11 3.94 -3.50 4.97 8.00 -1.26 -4.95 116.55 120.65 1im3 n ASP 34 Ca 0.03 1.04 -0.16 0.00 0.71 0.00 0.00 54.79 56.40 1im3 n ASP 34 Cb 0.49 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 39.99 1im3 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1im3 s ILE 35 N 1.73 0.00 -0.14 0.53 2.07 -1.26 -4.71 121.20 119.42 1im3 s ILE 35 Ca 0.78 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 1im3 s ILE 35 Cb -0.51 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.09 1im3 s ILE 35 CO 0.35 -0.00 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.56 1im3 s GLU 36 N -1.88 3.09 -0.08 3.50 2.02 -0.42 -4.99 118.70 119.94 1im3 s GLU 36 Ca -0.08 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 1im3 s GLU 36 Cb -0.00 -2.49 0.02 0.00 0.10 0.00 0.00 34.13 31.76 1im3 s GLU 36 CO 0.04 0.01 -0.04 0.08 0.02 0.00 0.00 175.26 175.36 1im3 s VAL 37 N 0.78 0.68 -0.01 2.63 1.01 -1.26 -0.70 120.40 123.53 1im3 s VAL 37 Ca -0.07 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1im3 s VAL 37 Cb -0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1im3 s VAL 37 CO -0.01 0.29 -0.19 -1.81 0.00 0.00 0.00 175.10 173.39 1im3 s ASP 38 N 1.53 2.20 -0.16 3.32 1.01 -0.16 -4.98 116.67 119.42 1im3 s ASP 38 Ca -0.00 -0.34 -0.13 0.00 0.71 0.00 0.00 52.55 52.79 1im3 s ASP 38 Cb -0.13 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.51 1im3 s ASP 38 CO -0.04 0.23 0.25 -0.76 0.21 0.00 0.00 175.17 175.05 1im3 s LEU 39 N -0.46 4.25 -0.02 1.23 1.43 -1.26 -0.58 118.68 123.26 1im3 s LEU 39 Ca 0.07 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.65 1im3 s LEU 39 Cb -0.07 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 1im3 s LEU 39 CO -0.01 0.14 -0.10 -0.76 0.23 0.00 0.00 176.35 175.85 1im3 s LEU 40 N 0.33 2.97 -0.25 1.79 1.43 0.14 -0.34 118.68 124.76 1im3 s LEU 40 Ca 0.14 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1im3 s LEU 40 Cb -0.12 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1im3 s LEU 40 CO 0.03 0.31 -0.09 -0.75 0.23 0.00 0.00 176.35 176.08 1im3 s LYS 41 N -1.11 2.01 -1.44 1.70 2.20 0.15 -1.65 119.74 121.61 1im3 s LYS 41 Ca 0.14 -1.19 -0.10 0.00 -0.36 0.00 0.00 55.97 54.46 1im3 s LYS 41 Cb -0.11 -2.76 0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1im3 s LYS 41 CO 0.04 -0.57 1.04 0.09 -0.36 0.00 0.00 175.35 175.59 1im3 n ASN 42 N 4.53 -4.97 0.00 1.43 3.02 0.12 -1.20 115.26 118.18 1im3 n ASN 42 Ca -0.13 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1im3 n ASN 42 Cb 0.43 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 1im3 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im3 n GLY 43 N -1.78 2.03 3.87 7.41 0.00 -1.26 -5.01 105.19 110.44 1im3 n GLY 43 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1im3 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1im3 s GLU 44 N -0.06 3.35 0.13 1.61 2.12 -0.34 -5.01 118.70 120.50 1im3 s GLU 44 Ca 0.00 -0.32 -0.31 0.00 0.36 0.00 0.00 54.97 54.70 1im3 s GLU 44 Cb 0.00 -3.06 -0.08 0.00 0.26 0.00 0.00 34.13 31.25 1im3 s GLU 44 CO 0.00 0.69 1.35 0.50 -0.54 0.00 0.00 175.26 177.26 1im3 s ARG 45 N -1.71 4.35 0.04 4.30 3.52 -1.26 0.32 118.95 128.51 1im3 s ARG 45 Ca 0.24 2.04 -0.23 0.00 -0.13 0.00 0.00 55.73 57.65 1im3 s ARG 45 Cb -0.12 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 1im3 s ARG 45 CO 0.15 -0.37 0.70 0.42 -0.81 0.00 0.00 175.30 175.38 1im3 s ILE 46 N 0.84 4.75 -0.05 4.11 1.01 0.54 -4.87 121.20 127.54 1im3 s ILE 46 Ca 0.62 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 62.56 1im3 s ILE 46 Cb -0.36 -4.05 -0.31 0.00 0.01 0.00 0.00 42.46 37.75 1im3 s ILE 46 CO 0.32 0.41 0.83 -0.33 0.00 0.00 0.00 174.94 176.17 1im3 h GLU 47 N 5.46 0.30 -3.44 2.79 5.08 -1.95 -3.40 114.58 119.43 1im3 h GLU 47 Ca -0.45 -0.52 -0.75 0.00 -1.00 0.00 0.00 59.36 56.64 1im3 h GLU 47 Cb 1.20 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 1im3 h GLU 47 CO 0.70 1.25 2.14 0.36 -1.00 0.00 0.00 179.01 182.45 1im3 n LYS 48 N -4.05 3.66 -3.90 2.33 2.85 -1.26 -4.95 118.16 112.83 1im3 n LYS 48 Ca -0.16 -3.46 -0.36 0.00 -1.05 0.00 0.00 58.31 53.28 1im3 n LYS 48 Cb 0.86 -2.92 -0.11 0.00 -0.65 0.00 0.00 35.03 32.21 1im3 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1im3 s VAL 49 N 0.42 4.54 0.36 0.58 1.01 -1.26 -4.71 120.40 121.33 1im3 s VAL 49 Ca 0.41 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1im3 s VAL 49 Cb 0.11 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1im3 s VAL 49 CO -0.01 0.39 0.35 -1.61 0.00 0.00 0.00 175.10 174.22 1im3 s GLU 50 N 1.04 2.72 0.04 2.72 2.02 -0.37 -4.91 118.70 121.95 1im3 s GLU 50 Ca 0.04 -1.32 -0.12 0.00 0.02 0.00 0.00 54.97 53.59 1im3 s GLU 50 Cb -0.14 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.60 1im3 s GLU 50 CO 0.03 -0.00 0.26 -3.38 0.02 0.00 0.00 175.26 172.18 1im3 s HIS 51 N -2.34 -0.04 0.96 1.61 -3.43 -1.26 -0.29 115.29 110.51 1im3 s HIS 51 Ca 0.44 -0.12 -0.12 0.00 -0.80 0.00 0.00 55.06 54.46 1im3 s HIS 51 Cb -0.06 0.04 0.17 0.00 -1.43 0.00 0.00 32.58 31.30 1im3 s HIS 51 CO 0.28 -0.46 1.10 -1.54 -2.00 0.00 0.00 174.74 172.12 1im3 s SER 52 N -2.03 2.96 0.16 7.38 1.04 -0.36 -4.96 113.70 117.88 1im3 s SER 52 Ca -0.06 1.15 -0.30 0.00 0.48 0.00 0.00 55.95 57.23 1im3 s SER 52 Cb -0.01 -1.80 -0.07 0.00 0.10 0.00 0.00 66.02 64.24 1im3 s SER 52 CO -0.03 -2.92 1.06 -1.81 0.98 0.00 0.00 173.24 170.52 1im3 s ASP 53 N -3.62 7.33 0.12 7.02 1.01 -1.26 -4.73 116.67 122.54 1im3 s ASP 53 Ca 0.65 2.00 -0.35 0.00 0.71 0.00 0.00 52.55 55.56 1im3 s ASP 53 Cb -0.17 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.01 1im3 s ASP 53 CO 0.56 -0.18 1.54 -0.11 0.21 0.00 0.00 175.17 177.20 1im3 n LEU 54 N 2.52 2.76 -4.10 1.23 7.94 -1.26 -4.95 117.00 121.14 1im3 n LEU 54 Ca 0.03 1.08 -0.14 0.00 -1.11 0.00 0.00 56.01 55.88 1im3 n LEU 54 Cb 0.47 -1.36 -0.05 0.00 0.53 0.00 0.00 43.42 43.00 1im3 n LEU 54 CO 0.53 -0.45 0.09 -0.55 -1.11 0.00 0.00 177.39 175.89 1im3 s SER 55 N 1.05 0.69 0.13 1.96 0.15 -1.25 -5.06 113.70 111.37 1im3 s SER 55 Ca 0.81 -1.39 -0.12 0.00 0.70 0.00 0.00 55.95 55.96 1im3 s SER 55 Cb -0.75 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1im3 s SER 55 CO 0.41 -1.20 0.31 0.72 1.20 0.00 0.00 173.24 174.68 1im3 s PHE 56 N -3.38 0.09 0.78 3.44 -0.12 -1.26 -2.02 117.98 115.51 1im3 s PHE 56 Ca 0.31 -0.47 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1im3 s PHE 56 Cb 0.01 0.07 0.15 0.00 -0.63 0.00 0.00 43.02 42.62 1im3 s PHE 56 CO 0.18 -0.67 1.07 -1.12 -0.05 0.00 0.00 175.22 174.63 1im3 s SER 57 N -2.88 4.02 0.26 1.98 0.01 0.21 -4.91 113.70 112.40 1im3 s SER 57 Ca 0.08 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.03 1im3 s SER 57 Cb 0.03 0.02 0.55 0.00 0.21 0.00 0.00 66.02 66.83 1im3 s SER 57 CO -0.07 -2.09 1.69 0.50 0.41 0.00 0.00 173.24 173.67 1im3 h LYS 58 N -0.78 0.31 -0.05 12.44 1.63 -2.03 0.11 116.57 128.20 1im3 h LYS 58 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1im3 h LYS 58 Cb 1.26 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1im3 h LYS 58 CO 0.38 0.20 0.00 -0.40 -3.45 0.00 0.00 179.45 176.19 1im3 n ASP 59 N -5.12 0.05 0.00 4.20 5.75 -1.26 -4.86 116.55 115.31 1im3 n ASP 59 Ca 0.17 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1im3 n ASP 59 Cb 0.52 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1im3 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1im3 n TRP 60 N -0.47 0.00 -2.73 2.11 7.02 0.37 -5.01 117.44 118.72 1im3 n TRP 60 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 1im3 n TRP 60 Cb 0.01 -0.41 -0.06 0.00 -2.42 0.00 0.00 31.31 28.44 1im3 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1im3 s SER 61 N -2.63 7.06 0.47 -0.99 1.04 -1.26 -4.70 113.70 112.70 1im3 s SER 61 Ca 0.00 1.85 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 1im3 s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.50 1im3 s SER 61 CO 0.00 -0.27 0.81 -0.36 0.98 0.00 0.00 173.24 174.40 1im3 s PHE 62 N -1.79 3.53 -0.04 5.02 0.08 0.14 -0.62 117.98 124.30 1im3 s PHE 62 Ca 0.56 0.98 -0.10 0.00 0.12 0.00 0.00 56.93 58.49 1im3 s PHE 62 Cb -0.17 -2.42 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1im3 s PHE 62 CO 0.21 -0.26 0.23 1.52 -0.10 0.00 0.00 175.22 176.83 1im3 s TYR 63 N -2.64 -0.16 -0.03 0.36 -0.85 -0.86 -1.41 117.35 111.77 1im3 s TYR 63 Ca 0.50 0.33 -0.08 0.00 -0.52 0.00 0.00 57.07 57.29 1im3 s TYR 63 Cb -0.10 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.30 1im3 s TYR 63 CO 0.40 -0.24 0.19 -0.51 -1.52 0.00 0.00 175.55 173.86 1im3 s LEU 64 N -0.69 1.34 -0.21 -3.49 1.43 0.66 -3.74 118.68 113.98 1im3 s LEU 64 Ca -0.08 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 1im3 s LEU 64 Cb -0.04 0.77 -0.00 0.00 0.03 0.00 0.00 46.19 46.95 1im3 s LEU 64 CO 0.02 -0.28 -0.08 -0.22 0.23 0.00 0.00 176.35 176.01 1im3 s LEU 65 N -0.89 2.73 -0.13 1.79 2.96 -1.26 -1.37 118.68 122.52 1im3 s LEU 65 Ca -0.10 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1im3 s LEU 65 Cb -0.05 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1im3 s LEU 65 CO 0.02 -0.00 0.04 -0.31 -1.32 0.00 0.00 176.35 174.77 1im3 s TYR 66 N 1.37 3.26 0.10 5.38 1.51 -0.16 -1.22 117.35 127.59 1im3 s TYR 66 Ca 0.05 0.18 -0.13 0.00 -1.01 0.00 0.00 57.07 56.15 1im3 s TYR 66 Cb -0.14 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1im3 s TYR 66 CO -0.05 0.38 0.31 1.52 -1.11 0.00 0.00 175.55 176.61 1im3 s TYR 67 N -0.43 -0.07 -0.02 2.71 1.13 0.60 -0.34 117.35 120.93 1im3 s TYR 67 Ca 0.09 -0.27 -0.26 0.00 -1.41 0.00 0.00 57.07 55.22 1im3 s TYR 67 Cb -0.12 0.13 0.06 0.00 -1.10 0.00 0.00 41.96 40.92 1im3 s TYR 67 CO 0.02 -0.62 0.58 -0.08 -2.51 0.00 0.00 175.55 172.94 1im3 s THR 68 N -3.66 0.02 0.34 -3.49 -1.32 -0.64 -1.24 115.64 105.64 1im3 s THR 68 Ca 0.03 -0.13 -0.28 0.00 -1.21 0.00 0.00 61.69 60.10 1im3 s THR 68 Cb 0.03 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 70.01 1im3 s THR 68 CO -0.11 -0.07 1.15 -1.61 -2.21 0.00 0.00 174.62 171.78 1im3 s GLU 69 N -1.48 4.37 0.12 7.08 2.02 -1.26 -0.50 118.70 129.06 1im3 s GLU 69 Ca -0.10 1.86 -0.23 0.00 0.02 0.00 0.00 54.97 56.52 1im3 s GLU 69 Cb -0.01 -2.96 0.06 0.00 0.10 0.00 0.00 34.13 31.33 1im3 s GLU 69 CO 0.06 -0.05 0.57 -0.59 0.02 0.00 0.00 175.26 175.27 1im3 s PHE 70 N -1.28 -0.49 -0.32 1.61 -0.71 -0.74 -4.83 117.98 111.23 1im3 s PHE 70 Ca 0.50 0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.78 1im3 s PHE 70 Cb -0.32 0.48 0.09 0.00 -1.21 0.00 0.00 43.02 42.06 1im3 s PHE 70 CO 0.41 -0.78 0.02 0.99 -1.34 0.00 0.00 175.22 174.52 1im3 s THR 71 N -3.37 2.13 0.33 -4.49 2.01 -1.26 0.46 115.64 111.45 1im3 s THR 71 Ca -0.01 -2.09 -0.28 0.00 0.31 0.00 0.00 61.69 59.63 1im3 s THR 71 Cb -0.00 -2.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.88 1im3 s THR 71 CO -0.09 -0.47 1.21 -2.65 -0.69 0.00 0.00 174.62 171.93 1im3 n PRO 72 N 4.34 1.89 -4.28 4.92 -0.02 -1.26 -4.75 135.00 135.84 1im3 n PRO 72 Ca -0.01 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 1im3 n PRO 72 Cb 0.42 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 1im3 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1im3 s THR 73 N -1.10 1.29 0.36 3.45 -4.23 -1.26 -1.81 115.64 112.34 1im3 s THR 73 Ca 0.57 -2.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1im3 s THR 73 Cb -0.60 -1.95 0.24 0.00 1.34 0.00 0.00 72.50 71.54 1im3 s THR 73 CO 0.61 -0.67 1.99 -0.08 -0.54 0.00 0.00 174.62 175.94 1im3 h GLU 74 N 2.69 0.71 0.06 3.99 4.81 -1.97 -3.31 114.58 121.57 1im3 h GLU 74 Ca -0.37 -0.06 -0.37 0.00 -0.13 0.00 0.00 59.36 58.43 1im3 h GLU 74 Cb 1.20 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1im3 h GLU 74 CO 0.63 0.52 -2.11 0.36 -0.73 0.00 0.00 179.01 177.68 1im3 n LYS 75 N -4.41 0.68 -1.66 1.92 2.85 -1.26 -4.97 118.16 111.31 1im3 n LYS 75 Ca 0.05 0.27 -0.45 0.00 -1.05 0.00 0.00 58.31 57.12 1im3 n LYS 75 Cb 0.09 -1.63 -0.03 0.00 -0.65 0.00 0.00 35.03 32.81 1im3 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1im3 n ASP 76 N -3.62 2.52 -4.47 -5.58 8.00 -1.25 -5.00 116.55 107.15 1im3 n ASP 76 Ca -0.39 1.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.93 1im3 n ASP 76 Cb 0.96 -1.40 -0.13 0.00 -0.02 0.00 0.00 41.12 40.54 1im3 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1im3 s GLU 77 N -0.46 2.41 0.17 -1.24 2.02 -1.26 -4.65 118.70 115.69 1im3 s GLU 77 Ca 0.68 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 55.01 1im3 s GLU 77 Cb -0.68 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1im3 s GLU 77 CO 0.50 0.61 -0.18 0.71 0.02 0.00 0.00 175.26 176.92 1im3 s TYR 78 N -0.77 1.85 0.25 1.61 1.51 -1.26 0.12 117.35 120.65 1im3 s TYR 78 Ca 0.12 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 1im3 s TYR 78 Cb -0.11 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1im3 s TYR 78 CO 0.02 0.35 0.67 0.00 -1.11 0.00 0.00 175.55 175.47 1im3 s ALA 79 N -2.08 -1.24 -0.07 3.71 0.00 -0.66 -0.10 121.76 121.33 1im3 s ALA 79 Ca 0.17 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.02 1im3 s ALA 79 Cb -0.06 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1im3 s ALA 79 CO 0.07 -0.95 -0.22 0.00 0.00 0.00 0.00 175.76 174.66 1im3 s ARG 81 N -0.07 3.21 -0.06 0.00 3.52 0.25 -1.10 118.95 124.70 1im3 s ARG 81 Ca -0.06 -0.72 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1im3 s ARG 81 Cb -0.14 -2.77 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1im3 s ARG 81 CO 0.05 -0.15 -0.24 0.08 -0.81 0.00 0.00 175.30 174.22 1im3 s VAL 82 N 1.26 1.97 -0.02 7.11 1.01 0.53 -0.99 120.40 131.28 1im3 s VAL 82 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1im3 s VAL 82 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1im3 s VAL 82 CO -0.06 0.55 -0.16 0.21 0.00 0.00 0.00 175.10 175.64 1im3 s ASN 83 N -0.10 1.92 0.09 3.32 2.47 0.13 -0.50 114.94 122.27 1im3 s ASN 83 Ca -0.05 -0.30 -0.19 0.00 0.42 0.00 0.00 52.86 52.74 1im3 s ASN 83 Cb -0.14 -0.28 0.04 0.00 -1.45 0.00 0.00 41.25 39.43 1im3 s ASN 83 CO 0.04 0.19 0.45 -2.28 -3.72 0.00 0.00 177.10 171.78 1im3 s HIS 84 N -0.29 -0.31 0.63 0.43 5.65 -1.26 -1.30 115.29 118.85 1im3 s HIS 84 Ca 0.04 0.17 0.37 0.00 0.25 0.00 0.00 55.06 55.89 1im3 s HIS 84 Cb -0.07 0.30 2.08 0.00 -1.18 0.00 0.00 32.58 33.70 1im3 s HIS 84 CO -0.00 -0.66 2.27 -0.39 -0.65 0.00 0.00 174.74 175.30 1im3 h VAL 85 N 2.62 0.24 0.00 0.89 -1.51 -1.95 0.12 116.25 116.66 1im3 h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1im3 h VAL 85 Cb 1.24 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1im3 h VAL 85 CO 0.44 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.13 1im3 n THR 86 N -3.42 0.00 -4.43 7.19 -2.24 -1.26 -4.76 114.28 105.36 1im3 n THR 86 Ca -0.02 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 1im3 n THR 86 Cb 0.13 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 67.73 1im3 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1im3 s LEU 87 N -2.00 3.03 0.57 3.22 1.43 0.43 -4.96 118.68 120.39 1im3 s LEU 87 Ca 0.48 -0.23 0.34 0.00 -1.03 0.00 0.00 54.13 53.68 1im3 s LEU 87 Cb 0.22 -1.72 1.66 0.00 0.03 0.00 0.00 46.19 46.38 1im3 s LEU 87 CO 0.37 0.13 2.11 0.77 0.23 0.00 0.00 176.35 179.97 1im3 h SER 88 N 6.95 0.00 -4.80 2.29 4.64 -1.85 -3.45 113.55 117.33 1im3 h SER 88 Ca -0.31 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1im3 h SER 88 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1im3 h SER 88 CO 0.60 0.06 0.35 0.00 -0.87 0.00 0.00 176.83 176.96 1im3 s GLN 89 N -3.99 1.03 0.22 4.77 -2.07 -1.26 -5.14 119.66 113.22 1im3 s GLN 89 Ca -0.02 -0.31 -0.31 0.00 -1.82 0.00 0.00 55.36 52.89 1im3 s GLN 89 Cb 0.12 0.48 -0.15 0.00 -1.09 0.00 0.00 33.01 32.37 1im3 s GLN 89 CO 0.53 -0.44 1.17 -2.30 -1.32 0.00 0.00 175.29 172.93 1im3 n PRO 90 N -0.17 1.39 -4.13 9.60 -0.02 -1.26 -4.92 135.00 135.49 1im3 n PRO 90 Ca -0.13 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.49 1im3 n PRO 90 Cb 0.63 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 1im3 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1im3 s LYS 91 N -0.69 3.44 -0.12 -0.52 2.20 0.35 -4.92 119.74 119.48 1im3 s LYS 91 Ca 0.68 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.01 1im3 s LYS 91 Cb -0.77 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 32.52 1im3 s LYS 91 CO 0.54 0.58 -0.22 0.42 -0.36 0.00 0.00 175.35 176.30 1im3 s ILE 92 N -0.50 2.01 -0.13 5.43 1.01 -1.26 -0.34 121.20 127.42 1im3 s ILE 92 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1im3 s ILE 92 Cb -0.12 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1im3 s ILE 92 CO 0.02 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.60 1im3 s VAL 93 N 0.64 2.17 0.24 2.92 1.01 -0.25 -4.96 120.40 122.16 1im3 s VAL 93 Ca -0.12 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1im3 s VAL 93 Cb -0.16 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 1im3 s VAL 93 CO 0.02 0.55 0.67 -0.54 0.00 0.00 0.00 175.10 175.80 1im3 s LYS 94 N 0.70 4.07 0.10 2.72 1.02 -1.26 0.03 119.74 127.11 1im3 s LYS 94 Ca -0.10 0.67 -0.30 0.00 0.02 0.00 0.00 55.97 56.26 1im3 s LYS 94 Cb -0.16 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1im3 s LYS 94 CO 0.01 0.33 1.09 -0.46 -0.92 0.00 0.00 175.35 175.40 1im3 s TRP 95 N -1.69 3.59 -0.15 3.18 -0.00 0.86 -4.88 118.94 119.85 1im3 s TRP 95 Ca 0.46 1.56 -0.02 0.00 -0.00 0.00 0.00 56.10 58.09 1im3 s TRP 95 Cb -0.14 -3.26 0.05 0.00 -0.00 0.00 0.00 33.47 30.12 1im3 s TRP 95 CO 0.19 -0.58 0.01 0.34 -0.00 0.00 0.00 176.95 176.92 1im3 s ASP 96 N 0.48 2.49 0.60 5.86 2.15 -1.26 -4.73 116.67 122.25 1im3 s ASP 96 Ca 0.52 -0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.23 1im3 s ASP 96 Cb -0.27 -0.59 1.22 0.00 -0.30 0.00 0.00 42.92 42.98 1im3 s ASP 96 CO 0.31 -0.26 1.56 0.03 -0.17 0.00 0.00 175.17 176.65 1im3 h ARG 97 N 8.25 0.00 -0.02 4.34 3.08 -1.95 0.29 114.38 128.38 1im3 h ARG 97 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1im3 h ARG 97 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1im3 h ARG 97 CO 0.32 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.97 1im3 n ASP 98 N -3.50 0.60 0.00 7.04 10.43 -1.26 -4.93 116.55 124.93 1im3 n ASP 98 Ca 0.20 -1.28 0.00 0.00 2.57 0.00 0.00 54.79 56.28 1im3 n ASP 98 Cb 1.24 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 44.19 1im3 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36