#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m05 s GLN 2 N 0.00 3.68 -0.04 6.28 -0.21 -1.26 -4.59 119.66 123.52 1m05 s GLN 2 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 55.36 55.40 1m05 s GLN 2 Cb 0.00 -2.92 0.03 0.00 1.00 0.00 0.00 33.01 31.12 1m05 s GLN 2 CO 0.00 0.52 0.05 1.03 -2.12 0.00 0.00 175.29 174.77 1m05 s ARG 3 N -2.26 0.04 0.44 2.91 0.52 0.95 -4.92 118.95 116.63 1m05 s ARG 3 Ca 0.37 0.33 -0.25 0.00 -0.52 0.00 0.00 55.73 55.65 1m05 s ARG 3 Cb -0.13 -0.58 -0.08 0.00 0.52 0.00 0.00 34.95 34.68 1m05 s ARG 3 CO 0.21 -0.32 1.31 -0.08 0.02 0.00 0.00 175.30 176.44 1m05 s THR 4 N 2.10 2.51 0.72 0.02 -1.32 -1.26 -2.12 115.64 116.28 1m05 s THR 4 Ca 0.04 0.43 -0.11 0.00 -1.21 0.00 0.00 61.69 60.84 1m05 s THR 4 Cb -0.12 -3.25 0.02 0.00 -1.51 0.00 0.00 72.50 67.65 1m05 s THR 4 CO -0.03 0.04 1.08 -2.16 -2.21 0.00 0.00 174.62 171.34 1m05 s PRO 5 N -2.44 2.69 0.03 7.08 0.04 -1.26 -4.43 135.00 136.71 1m05 s PRO 5 Ca 0.61 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1m05 s PRO 5 Cb -0.38 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1m05 s PRO 5 CO 0.48 -1.30 0.08 0.15 0.04 0.00 0.00 177.00 176.44 1m05 s LYS 6 N -4.84 2.99 -0.04 4.56 1.02 0.15 -4.94 119.74 118.64 1m05 s LYS 6 Ca 0.60 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1m05 s LYS 6 Cb -0.16 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1m05 s LYS 6 CO 0.53 0.61 -0.00 0.42 -0.92 0.00 0.00 175.35 175.99 1m05 s ILE 7 N -1.27 0.25 -0.09 2.17 1.01 -1.26 -1.63 121.20 120.38 1m05 s ILE 7 Ca 0.25 0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1m05 s ILE 7 Cb -0.12 -0.35 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1m05 s ILE 7 CO 0.17 0.18 -0.15 -1.10 0.00 0.00 0.00 174.94 174.04 1m05 s GLN 8 N 1.19 2.06 -0.16 2.79 -0.21 -0.33 -4.98 119.66 120.03 1m05 s GLN 8 Ca -0.07 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1m05 s GLN 8 Cb -0.13 -1.70 0.00 0.00 1.00 0.00 0.00 33.01 32.18 1m05 s GLN 8 CO -0.02 0.01 -0.17 0.08 -2.12 0.00 0.00 175.29 173.08 1m05 s VAL 9 N 0.75 2.52 0.31 1.09 1.01 -1.26 -0.34 120.40 124.48 1m05 s VAL 9 Ca -0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1m05 s VAL 9 Cb -0.16 -2.05 0.05 0.00 0.00 0.00 0.00 36.38 34.22 1m05 s VAL 9 CO 0.03 0.52 0.83 -0.72 0.00 0.00 0.00 175.10 175.76 1m05 s TYR 10 N 0.86 0.03 0.22 5.22 1.13 -0.66 -4.40 117.35 119.75 1m05 s TYR 10 Ca -0.05 -0.60 0.06 0.00 -1.41 0.00 0.00 57.07 55.08 1m05 s TYR 10 Cb -0.15 0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 1m05 s TYR 10 CO -0.01 -1.34 0.18 -1.54 -2.51 0.00 0.00 175.55 170.32 1m05 s SER 11 N -3.09 5.56 0.32 -0.18 1.04 -1.26 0.25 113.70 116.34 1m05 s SER 11 Ca 0.15 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.48 1m05 s SER 11 Cb -0.05 -1.44 0.54 0.00 0.10 0.00 0.00 66.02 65.17 1m05 s SER 11 CO 0.09 0.00 1.75 -0.09 0.98 0.00 0.00 173.24 175.97 1m05 h ARG 12 N 1.85 0.20 -5.14 4.02 2.43 -1.70 -3.45 114.38 112.60 1m05 h ARG 12 Ca -0.48 -0.08 -0.35 0.00 -0.81 0.00 0.00 59.98 58.26 1m05 h ARG 12 Cb 1.22 -0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.61 1m05 h ARG 12 CO 0.62 0.54 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.89 1m05 s HIS 13 N -4.23 1.28 0.04 2.20 3.76 -1.26 -5.06 115.29 112.03 1m05 s HIS 13 Ca -0.04 -0.70 -0.35 0.00 -0.15 0.00 0.00 55.06 53.81 1m05 s HIS 13 Cb 0.14 -0.66 -0.14 0.00 1.11 0.00 0.00 32.58 33.03 1m05 s HIS 13 CO 0.76 0.10 1.59 -2.30 -0.85 0.00 0.00 174.74 174.04 1m05 n PRO 14 N 0.01 1.77 -1.87 8.40 -0.02 -1.26 -4.84 135.00 137.19 1m05 n PRO 14 Ca -0.12 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1m05 n PRO 14 Cb 0.60 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1m05 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m05 s ALA 15 N 1.72 3.68 -0.17 3.55 0.00 -1.26 -5.00 121.76 124.28 1m05 s ALA 15 Ca 0.85 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 54.01 1m05 s ALA 15 Cb -0.80 -3.73 0.05 0.00 0.00 0.00 0.00 23.12 18.64 1m05 s ALA 15 CO 0.46 -1.21 0.04 -2.00 0.00 0.00 0.00 175.76 173.05 1m05 s GLU 16 N 3.03 0.52 -0.04 0.00 2.12 -1.26 -5.11 118.70 117.96 1m05 s GLU 16 Ca 0.77 -0.25 -0.40 0.00 0.36 0.00 0.00 54.97 55.44 1m05 s GLU 16 Cb -0.40 -1.84 -0.19 0.00 0.26 0.00 0.00 34.13 31.96 1m05 s GLU 16 CO 0.34 -0.58 1.18 0.09 -0.54 0.00 0.00 175.26 175.74 1m05 n ASN 17 N 5.11 0.44 0.00 -1.70 3.02 -1.26 -1.16 115.26 119.71 1m05 n ASN 17 Ca -0.08 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1m05 n ASN 17 Cb 0.48 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1m05 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m05 n GLY 18 N 1.97 3.12 3.70 7.41 0.00 -0.27 -5.00 105.19 116.12 1m05 n GLY 18 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1m05 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m05 s LYS 19 N -0.38 4.37 0.30 1.61 -0.14 -0.31 -4.95 119.74 120.24 1m05 s LYS 19 Ca 0.00 0.77 -0.30 0.00 -1.36 0.00 0.00 55.97 55.08 1m05 s LYS 19 Cb 0.00 -3.48 -0.12 0.00 -1.68 0.00 0.00 37.83 32.55 1m05 s LYS 19 CO 0.00 0.00 1.52 0.45 -0.76 0.00 0.00 175.35 176.56 1m05 n SER 20 N 4.07 3.53 -0.73 2.83 2.88 -1.26 -4.24 113.62 120.69 1m05 n SER 20 Ca -0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1m05 n SER 20 Cb 0.51 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1m05 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m05 n ASN 21 N 1.84 0.00 -3.89 -3.46 2.85 0.32 -4.98 115.26 107.94 1m05 n ASN 21 Ca 0.08 -0.73 -0.19 0.00 -0.11 0.00 0.00 54.58 53.63 1m05 n ASN 21 Cb 0.36 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.22 1m05 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1m05 s PHE 22 N -1.90 0.67 -0.22 1.20 0.08 -1.26 -0.93 117.98 115.62 1m05 s PHE 22 Ca 0.00 -0.17 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 1m05 s PHE 22 Cb 0.00 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1m05 s PHE 22 CO 0.00 -0.17 0.11 -1.17 -0.10 0.00 0.00 175.22 173.89 1m05 s LEU 23 N 0.83 3.90 0.03 -0.37 2.96 0.04 -1.64 118.68 124.44 1m05 s LEU 23 Ca -0.11 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1m05 s LEU 23 Cb -0.14 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1m05 s LEU 23 CO 0.00 0.10 -0.19 0.20 -1.32 0.00 0.00 176.35 175.14 1m05 s ASN 24 N 0.81 3.69 -0.23 3.68 0.01 0.14 -1.74 114.94 121.30 1m05 s ASN 24 Ca 0.05 -0.43 -0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1m05 s ASN 24 Cb -0.13 -0.57 0.07 0.00 0.41 0.00 0.00 41.25 41.03 1m05 s ASN 24 CO 0.02 0.27 -0.00 0.00 -1.51 0.00 0.00 177.10 175.88 1m05 s TYR 26 N 1.56 3.21 -0.15 0.00 5.04 0.54 -1.19 117.35 126.35 1m05 s TYR 26 Ca -0.02 -0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1m05 s TYR 26 Cb -0.18 -2.67 -0.02 0.00 0.35 0.00 0.00 41.96 39.44 1m05 s TYR 26 CO -0.09 -0.43 -0.09 0.08 -1.34 0.00 0.00 175.55 173.68 1m05 s VAL 27 N 2.02 3.37 0.28 3.14 1.01 -0.27 -1.18 120.40 128.77 1m05 s VAL 27 Ca 0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1m05 s VAL 27 Cb -0.16 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1m05 s VAL 27 CO 0.12 0.51 0.45 -1.54 0.00 0.00 0.00 175.10 174.63 1m05 n SER 28 N 3.63 -1.29 -0.89 3.32 3.41 -0.65 -0.38 113.62 120.78 1m05 n SER 28 Ca -0.18 -2.34 -0.12 0.00 -0.26 0.00 0.00 58.87 55.98 1m05 n SER 28 Cb 0.52 2.27 -0.05 0.00 -0.26 0.00 0.00 64.21 66.70 1m05 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m05 n GLY 29 N -0.42 1.20 3.78 5.00 0.00 -0.83 0.30 105.19 114.22 1m05 n GLY 29 Ca -0.02 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1m05 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m05 s PHE 30 N -2.22 3.18 -0.23 1.61 -0.71 -1.13 -4.49 117.98 113.99 1m05 s PHE 30 Ca 0.00 0.05 -0.13 0.00 -1.04 0.00 0.00 56.93 55.81 1m05 s PHE 30 Cb 0.00 -1.59 0.07 0.00 -1.21 0.00 0.00 43.02 40.29 1m05 s PHE 30 CO 0.00 0.52 0.58 -1.58 -1.34 0.00 0.00 175.22 173.40 1m05 s HIS 31 N -1.49 -0.88 1.18 3.49 2.46 -0.90 -1.21 115.29 117.94 1m05 s HIS 31 Ca 0.30 1.79 -0.19 0.00 0.47 0.00 0.00 55.06 57.43 1m05 s HIS 31 Cb -0.12 0.49 0.28 0.00 -0.13 0.00 0.00 32.58 33.10 1m05 s HIS 31 CO 0.22 -0.45 1.13 -1.25 -2.47 0.00 0.00 174.74 171.92 1m05 s PRO 32 N 1.54 -1.06 0.44 2.88 0.04 -1.26 -0.04 135.00 137.54 1m05 s PRO 32 Ca -0.10 -0.11 0.23 0.00 0.04 0.00 0.00 61.00 61.06 1m05 s PRO 32 Cb -0.06 -1.62 0.96 0.00 0.04 0.00 0.00 34.50 33.82 1m05 s PRO 32 CO -0.17 -3.60 1.85 0.66 0.04 0.00 0.00 177.00 175.79 1m05 h SER 33 N -2.50 0.00 -2.72 6.66 4.64 -2.00 -3.46 113.55 114.18 1m05 h SER 33 Ca -0.45 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 1m05 h SER 33 Cb 1.29 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.43 1m05 h SER 33 CO 0.34 0.25 0.97 -1.81 -0.87 0.00 0.00 176.83 175.71 1m05 s ASP 34 N -6.28 6.45 0.19 4.97 1.01 -1.26 -4.97 116.67 116.78 1m05 s ASP 34 Ca -0.00 2.78 -0.22 0.00 0.71 0.00 0.00 52.55 55.82 1m05 s ASP 34 Cb 0.11 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.50 1m05 s ASP 34 CO 0.64 -0.92 0.61 -0.51 0.21 0.00 0.00 175.17 175.20 1m05 s ILE 35 N 1.19 0.01 -0.03 0.77 2.07 -1.26 -4.57 121.20 119.38 1m05 s ILE 35 Ca 0.73 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.62 1m05 s ILE 35 Cb -0.48 -1.33 0.02 0.00 0.13 0.00 0.00 42.46 40.80 1m05 s ILE 35 CO 0.32 -0.03 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.58 1m05 s GLU 36 N -3.81 0.67 0.00 3.50 2.12 -0.34 -5.00 118.70 115.84 1m05 s GLU 36 Ca 0.05 -0.11 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1m05 s GLU 36 Cb -0.02 -0.69 -0.01 0.00 0.26 0.00 0.00 34.13 33.67 1m05 s GLU 36 CO -0.07 -0.03 -0.07 0.08 -0.54 0.00 0.00 175.26 174.64 1m05 s VAL 37 N 0.63 0.51 -0.01 3.70 1.01 -1.26 -1.00 120.40 123.98 1m05 s VAL 37 Ca -0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1m05 s VAL 37 Cb -0.11 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1m05 s VAL 37 CO -0.00 0.07 0.03 -1.81 0.00 0.00 0.00 175.10 173.39 1m05 s ASP 38 N -0.34 -0.01 -0.08 3.32 1.01 -0.54 -5.00 116.67 115.03 1m05 s ASP 38 Ca 0.01 0.05 -0.11 0.00 0.71 0.00 0.00 52.55 53.21 1m05 s ASP 38 Cb -0.03 0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.88 1m05 s ASP 38 CO -0.00 -0.03 0.26 -0.76 0.21 0.00 0.00 175.17 174.85 1m05 s LEU 39 N 0.18 4.41 0.01 1.23 1.43 -1.26 -0.48 118.68 124.20 1m05 s LEU 39 Ca -0.01 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1m05 s LEU 39 Cb -0.02 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 1m05 s LEU 39 CO -0.01 0.34 -0.25 -0.76 0.23 0.00 0.00 176.35 175.91 1m05 s LEU 40 N -0.88 2.11 -0.29 1.79 1.43 0.99 -1.01 118.68 122.82 1m05 s LEU 40 Ca 0.18 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1m05 s LEU 40 Cb -0.14 -1.23 0.08 0.00 0.03 0.00 0.00 46.19 44.93 1m05 s LEU 40 CO 0.07 0.27 -0.02 -0.75 0.23 0.00 0.00 176.35 176.15 1m05 s LYS 41 N -0.91 1.72 -1.09 1.70 2.20 0.86 -1.00 119.74 123.21 1m05 s LYS 41 Ca 0.10 -1.51 -0.06 0.00 -0.36 0.00 0.00 55.97 54.14 1m05 s LYS 41 Cb -0.10 -2.92 0.01 0.00 -1.51 0.00 0.00 37.83 33.31 1m05 s LYS 41 CO 0.01 -0.76 0.95 0.09 -0.36 0.00 0.00 175.35 175.27 1m05 n ASN 42 N 4.41 -5.01 0.00 1.43 3.02 0.10 -2.44 115.26 116.78 1m05 n ASN 42 Ca -0.05 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1m05 n ASN 42 Cb 0.42 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1m05 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m05 n GLY 43 N -1.64 1.83 3.65 7.41 0.00 -1.26 -5.01 105.19 110.18 1m05 n GLY 43 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1m05 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m05 s GLU 44 N -0.01 3.44 0.30 1.61 2.12 -1.02 -5.03 118.70 120.11 1m05 s GLU 44 Ca 0.00 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1m05 s GLU 44 Cb 0.00 -2.97 -0.11 0.00 0.26 0.00 0.00 34.13 31.31 1m05 s GLU 44 CO 0.00 0.50 1.60 0.50 -0.54 0.00 0.00 175.26 177.31 1m05 s ARG 45 N -0.30 4.11 -0.06 4.30 3.52 -1.26 -0.10 118.95 129.16 1m05 s ARG 45 Ca 0.07 2.60 -0.16 0.00 -0.13 0.00 0.00 55.73 58.11 1m05 s ARG 45 Cb -0.12 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1m05 s ARG 45 CO 0.02 -0.64 0.42 0.42 -0.81 0.00 0.00 175.30 174.71 1m05 s ILE 46 N -0.11 5.10 -0.15 4.11 1.01 -0.18 -4.84 121.20 126.15 1m05 s ILE 46 Ca 0.63 0.86 -0.17 0.00 0.00 0.00 0.00 60.65 61.96 1m05 s ILE 46 Cb -0.48 -3.75 -0.24 0.00 0.01 0.00 0.00 42.46 38.00 1m05 s ILE 46 CO 0.50 0.47 0.41 -0.08 0.00 0.00 0.00 174.94 176.24 1m05 h GLU 47 N 5.61 0.14 -3.82 2.79 4.57 -1.94 -3.41 114.58 118.51 1m05 h GLU 47 Ca -0.47 -0.23 -0.60 0.00 -1.18 0.00 0.00 59.36 56.88 1m05 h GLU 47 Cb 1.20 0.09 0.02 0.00 -0.16 0.00 0.00 28.75 29.89 1m05 h GLU 47 CO 0.68 1.11 2.87 1.63 -1.18 0.00 0.00 179.01 184.12 1m05 n LYS 48 N -4.09 2.38 -4.73 1.92 4.01 -1.26 -4.87 118.16 111.52 1m05 n LYS 48 Ca -0.28 -1.99 -0.33 0.00 -0.51 0.00 0.00 58.31 55.20 1m05 n LYS 48 Cb 0.81 -2.87 -0.15 0.00 -0.51 0.00 0.00 35.03 32.32 1m05 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1m05 s VAL 49 N 3.63 2.92 0.38 -0.18 1.01 -1.26 -4.55 120.40 122.35 1m05 s VAL 49 Ca 0.52 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1m05 s VAL 49 Cb 0.14 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1m05 s VAL 49 CO -0.01 0.52 0.26 -1.61 0.00 0.00 0.00 175.10 174.27 1m05 s GLU 50 N 0.48 2.47 0.06 2.72 0.41 0.33 -4.93 118.70 120.22 1m05 s GLU 50 Ca -0.10 -1.56 -0.24 0.00 -0.41 0.00 0.00 54.97 52.66 1m05 s GLU 50 Cb -0.16 -2.26 0.06 0.00 -1.78 0.00 0.00 34.13 29.99 1m05 s GLU 50 CO 0.05 -0.05 0.57 -3.38 -0.49 0.00 0.00 175.26 171.96 1m05 s HIS 51 N -2.46 -0.50 0.91 1.61 -3.43 -1.26 -0.39 115.29 109.79 1m05 s HIS 51 Ca 0.43 0.55 -0.13 0.00 -0.80 0.00 0.00 55.06 55.11 1m05 s HIS 51 Cb -0.02 0.41 0.14 0.00 -1.43 0.00 0.00 32.58 31.68 1m05 s HIS 51 CO 0.25 -0.69 1.15 -1.54 -2.00 0.00 0.00 174.74 171.91 1m05 s SER 52 N -2.04 3.52 0.22 7.38 1.04 0.24 -4.96 113.70 119.10 1m05 s SER 52 Ca -0.05 0.91 -0.13 0.00 0.48 0.00 0.00 55.95 57.16 1m05 s SER 52 Cb -0.01 -1.45 -0.08 0.00 0.10 0.00 0.00 66.02 64.59 1m05 s SER 52 CO -0.03 -2.54 0.60 -1.81 0.98 0.00 0.00 173.24 170.44 1m05 s ASP 53 N -4.11 6.76 -0.24 7.02 1.01 -1.26 -4.66 116.67 121.19 1m05 s ASP 53 Ca 0.64 1.09 -0.40 0.00 0.71 0.00 0.00 52.55 54.59 1m05 s ASP 53 Cb -0.14 -2.29 -0.16 0.00 1.01 0.00 0.00 42.92 41.34 1m05 s ASP 53 CO 0.53 -0.02 1.72 -0.11 0.21 0.00 0.00 175.17 177.49 1m05 n LEU 54 N 0.24 2.36 -4.21 1.23 7.94 -1.26 -4.91 117.00 118.39 1m05 n LEU 54 Ca -0.01 1.08 -0.14 0.00 -1.11 0.00 0.00 56.01 55.82 1m05 n LEU 54 Cb 0.52 -1.15 -0.09 0.00 0.53 0.00 0.00 43.42 43.23 1m05 n LEU 54 CO 0.43 -0.47 -0.17 -0.44 -1.11 0.00 0.00 177.39 175.63 1m05 s SER 55 N 3.31 0.62 0.10 1.96 0.01 -1.21 -5.05 113.70 113.44 1m05 s SER 55 Ca 0.97 -1.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 1m05 s SER 55 Cb -1.05 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 65.62 1m05 s SER 55 CO 0.64 -0.93 0.16 0.72 0.41 0.00 0.00 173.24 174.24 1m05 s PHE 56 N -3.91 0.30 0.73 2.43 -0.71 -1.26 -1.43 117.98 114.14 1m05 s PHE 56 Ca 0.39 -0.73 -0.02 0.00 -1.04 0.00 0.00 56.93 55.52 1m05 s PHE 56 Cb 0.05 -0.14 0.13 0.00 -1.21 0.00 0.00 43.02 41.85 1m05 s PHE 56 CO 0.17 -0.55 1.01 -1.12 -1.34 0.00 0.00 175.22 173.39 1m05 s SER 57 N -2.90 4.29 0.62 1.98 0.01 0.97 -4.94 113.70 113.73 1m05 s SER 57 Ca 0.09 -0.28 0.40 0.00 1.31 0.00 0.00 55.95 57.47 1m05 s SER 57 Cb 0.05 -0.10 2.03 0.00 0.21 0.00 0.00 66.02 68.22 1m05 s SER 57 CO -0.08 -1.90 2.23 0.11 0.41 0.00 0.00 173.24 174.01 1m05 h LYS 58 N -0.60 0.00 -0.58 12.44 1.57 -2.03 -0.31 116.57 127.07 1m05 h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1m05 h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1m05 h LYS 58 CO 0.41 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 178.90 1m05 n ASP 59 N -3.13 2.85 0.00 0.86 5.68 -1.26 -4.90 116.55 116.65 1m05 n ASP 59 Ca -0.02 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 1m05 n ASP 59 Cb 0.16 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 1m05 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1m05 n TRP 60 N 0.53 0.00 -2.65 2.11 7.02 -0.13 -5.01 117.44 119.31 1m05 n TRP 60 Ca 0.14 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.23 1m05 n TRP 60 Cb 0.54 -0.20 -0.05 0.00 -2.42 0.00 0.00 31.31 29.18 1m05 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1m05 s SER 61 N -3.45 7.37 0.58 -0.99 1.04 -1.26 -4.66 113.70 112.32 1m05 s SER 61 Ca 0.00 2.03 -0.10 0.00 0.48 0.00 0.00 55.95 58.36 1m05 s SER 61 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 1m05 s SER 61 CO 0.00 -0.05 0.97 -0.36 0.98 0.00 0.00 173.24 174.78 1m05 s PHE 62 N -1.32 3.60 0.03 5.02 0.40 -0.35 -0.02 117.98 125.33 1m05 s PHE 62 Ca 0.46 1.21 -0.20 0.00 -0.60 0.00 0.00 56.93 57.80 1m05 s PHE 62 Cb -0.26 -2.64 0.04 0.00 0.51 0.00 0.00 43.02 40.68 1m05 s PHE 62 CO 0.32 -0.56 0.45 1.52 0.70 0.00 0.00 175.22 177.65 1m05 s TYR 63 N -3.02 -0.32 0.02 0.36 -0.85 -0.51 -1.96 117.35 111.07 1m05 s TYR 63 Ca 0.54 0.36 -0.10 0.00 -0.52 0.00 0.00 57.07 57.35 1m05 s TYR 63 Cb -0.11 0.25 0.01 0.00 0.38 0.00 0.00 41.96 42.49 1m05 s TYR 63 CO 0.49 -0.57 0.21 -0.51 -1.52 0.00 0.00 175.55 173.66 1m05 s LEU 64 N -1.84 1.29 -0.14 -3.49 1.43 0.49 -3.35 118.68 113.08 1m05 s LEU 64 Ca -0.07 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1m05 s LEU 64 Cb -0.01 0.97 0.02 0.00 0.03 0.00 0.00 46.19 47.20 1m05 s LEU 64 CO -0.00 -0.50 -0.15 -0.22 0.23 0.00 0.00 176.35 175.71 1m05 s LEU 65 N -1.82 1.72 -0.11 1.79 2.96 -1.26 -1.11 118.68 120.84 1m05 s LEU 65 Ca -0.08 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1m05 s LEU 65 Cb -0.03 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 1m05 s LEU 65 CO -0.01 -0.04 0.00 -0.31 -1.32 0.00 0.00 176.35 174.67 1m05 s TYR 66 N 1.40 3.15 0.14 5.38 1.51 -0.34 -0.59 117.35 128.00 1m05 s TYR 66 Ca 0.03 0.09 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 1m05 s TYR 66 Cb -0.13 -1.85 -0.00 0.00 -0.11 0.00 0.00 41.96 39.87 1m05 s TYR 66 CO -0.09 0.34 0.28 1.52 -1.11 0.00 0.00 175.55 176.49 1m05 s TYR 67 N -0.52 0.25 -0.24 2.71 1.13 0.48 -0.08 117.35 121.08 1m05 s TYR 67 Ca 0.09 -0.63 -0.22 0.00 -1.41 0.00 0.00 57.07 54.91 1m05 s TYR 67 Cb -0.12 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.80 1m05 s TYR 67 CO 0.02 -0.68 0.63 -0.08 -2.51 0.00 0.00 175.55 172.94 1m05 s THR 68 N -3.92 -0.00 0.06 -3.49 -1.32 -0.71 -0.52 115.64 105.75 1m05 s THR 68 Ca 0.12 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.30 1m05 s THR 68 Cb 0.03 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 1m05 s THR 68 CO -0.04 0.00 1.13 -0.70 -2.21 0.00 0.00 174.62 172.79 1m05 s GLU 69 N 0.41 4.49 0.21 7.08 2.12 -1.26 -0.78 118.70 130.96 1m05 s GLU 69 Ca -0.01 1.67 -0.08 0.00 0.36 0.00 0.00 54.97 56.92 1m05 s GLU 69 Cb -0.04 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1m05 s GLU 69 CO -0.00 -0.15 0.30 -0.59 -0.54 0.00 0.00 175.26 174.28 1m05 s PHE 70 N 0.85 0.64 -0.33 5.30 -0.71 -0.11 -4.93 117.98 118.70 1m05 s PHE 70 Ca 0.55 -0.96 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1m05 s PHE 70 Cb -0.27 -0.13 0.10 0.00 -1.21 0.00 0.00 43.02 41.50 1m05 s PHE 70 CO 0.30 -0.80 0.07 0.99 -1.34 0.00 0.00 175.22 174.44 1m05 s THR 71 N -4.05 1.69 0.48 -4.49 2.01 -1.26 0.12 115.64 110.14 1m05 s THR 71 Ca 0.26 -1.95 -0.22 0.00 0.31 0.00 0.00 61.69 60.09 1m05 s THR 71 Cb 0.03 -2.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 1m05 s THR 71 CO 0.07 -0.63 0.98 -2.65 -0.69 0.00 0.00 174.62 171.70 1m05 n PRO 72 N 4.50 1.20 -4.12 4.92 -0.02 -1.26 -4.71 135.00 135.50 1m05 n PRO 72 Ca 0.01 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1m05 n PRO 72 Cb 0.42 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1m05 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1m05 s THR 73 N -1.37 0.34 0.24 3.45 -4.23 -1.26 -1.11 115.64 111.69 1m05 s THR 73 Ca 0.67 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.26 1m05 s THR 73 Cb -0.50 -1.66 0.19 0.00 1.34 0.00 0.00 72.50 71.87 1m05 s THR 73 CO 0.54 -0.87 1.83 -0.08 -0.54 0.00 0.00 174.62 175.50 1m05 h GLU 74 N 3.04 1.18 0.00 3.99 4.22 -1.98 -3.27 114.58 121.76 1m05 h GLU 74 Ca -0.35 -0.17 -0.24 0.00 0.08 0.00 0.00 59.36 58.69 1m05 h GLU 74 Cb 1.16 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1m05 h GLU 74 CO 0.65 0.91 -1.63 0.36 -2.18 0.00 0.00 179.01 177.11 1m05 n LYS 75 N -4.31 0.63 -1.75 1.92 0.00 -1.26 -4.94 118.16 108.46 1m05 n LYS 75 Ca 0.08 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.21 1m05 n LYS 75 Cb 0.14 -1.78 -0.02 0.00 -0.00 0.00 0.00 35.03 33.38 1m05 n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m05 n ASP 76 N -2.94 3.84 -4.58 -5.58 8.00 -1.23 -5.00 116.55 109.05 1m05 n ASP 76 Ca -0.15 1.15 -0.32 0.00 0.71 0.00 0.00 54.79 56.18 1m05 n ASP 76 Cb 0.96 -1.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.36 1m05 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1m05 s GLU 77 N -0.56 2.57 0.05 -1.24 2.12 -1.26 -4.80 118.70 115.59 1m05 s GLU 77 Ca 0.64 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 55.30 1m05 s GLU 77 Cb -0.50 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 1m05 s GLU 77 CO 0.49 0.61 -0.10 0.71 -0.54 0.00 0.00 175.26 176.44 1m05 s TYR 78 N -0.95 0.85 0.31 5.30 2.02 -1.26 0.01 117.35 123.64 1m05 s TYR 78 Ca 0.16 -0.51 -0.15 0.00 -0.37 0.00 0.00 57.07 56.20 1m05 s TYR 78 Cb -0.11 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 1m05 s TYR 78 CO 0.06 -0.04 0.66 0.00 -1.57 0.00 0.00 175.55 174.66 1m05 s ALA 79 N -1.45 -0.61 -0.06 3.71 0.00 -0.17 -0.46 121.76 122.72 1m05 s ALA 79 Ca -0.06 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1m05 s ALA 79 Cb -0.09 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1m05 s ALA 79 CO 0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 175.76 174.70 1m05 s ARG 81 N 0.61 3.39 -0.05 0.00 3.52 0.37 -0.28 118.95 126.52 1m05 s ARG 81 Ca -0.13 -0.64 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1m05 s ARG 81 Cb -0.15 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1m05 s ARG 81 CO 0.03 -0.03 -0.23 0.08 -0.81 0.00 0.00 175.30 174.34 1m05 s VAL 82 N 1.02 1.90 -0.14 7.11 1.01 0.11 -1.47 120.40 129.95 1m05 s VAL 82 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1m05 s VAL 82 Cb -0.15 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1m05 s VAL 82 CO -0.01 0.53 -0.13 0.21 0.00 0.00 0.00 175.10 175.71 1m05 s ASN 83 N -0.19 2.55 0.06 3.32 2.47 -0.17 -0.12 114.94 122.86 1m05 s ASN 83 Ca -0.01 -0.44 -0.02 0.00 0.42 0.00 0.00 52.86 52.80 1m05 s ASN 83 Cb -0.12 -1.10 -0.03 0.00 -1.45 0.00 0.00 41.25 38.54 1m05 s ASN 83 CO 0.03 -0.06 0.01 -2.28 -3.72 0.00 0.00 177.10 171.08 1m05 s HIS 84 N 1.47 0.46 0.49 0.43 5.65 -1.26 -1.20 115.29 121.34 1m05 s HIS 84 Ca 0.04 -0.98 0.14 0.00 0.25 0.00 0.00 55.06 54.51 1m05 s HIS 84 Cb -0.13 -0.33 1.18 0.00 -1.18 0.00 0.00 32.58 32.12 1m05 s HIS 84 CO -0.09 -0.41 2.12 -0.24 -0.65 0.00 0.00 174.74 175.47 1m05 h VAL 85 N 3.07 1.01 0.00 0.89 3.04 -1.94 -0.99 116.25 121.34 1m05 h VAL 85 Ca -0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1m05 h VAL 85 Cb 1.15 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1m05 h VAL 85 CO 0.64 0.02 0.00 0.35 -1.01 0.00 0.00 177.57 177.57 1m05 n THR 86 N -4.52 0.32 -4.34 3.17 -2.24 -1.26 -4.74 114.28 100.67 1m05 n THR 86 Ca -0.01 0.08 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 1m05 n THR 86 Cb 0.10 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 1m05 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m05 s LEU 87 N -2.48 3.63 -0.00 3.22 1.43 -0.38 -4.95 118.68 119.15 1m05 s LEU 87 Ca 0.21 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.30 1m05 s LEU 87 Cb 0.14 -1.85 -0.34 0.00 0.03 0.00 0.00 46.19 44.17 1m05 s LEU 87 CO 0.30 0.37 0.92 0.28 0.23 0.00 0.00 176.35 178.45 1m05 h SER 88 N 5.09 0.71 -4.50 2.29 0.02 -1.85 -3.45 113.55 111.86 1m05 h SER 88 Ca -0.51 -0.93 -0.39 0.00 -0.84 0.00 0.00 61.79 59.13 1m05 h SER 88 Cb 1.19 -0.23 -0.22 0.00 0.14 0.00 0.00 62.40 63.28 1m05 h SER 88 CO 0.55 1.64 -0.77 -1.10 -1.14 0.00 0.00 176.83 176.00 1m05 s GLN 89 N -2.55 0.77 0.43 3.45 -1.52 -1.26 -5.12 119.66 113.86 1m05 s GLN 89 Ca -0.11 -0.87 -0.24 0.00 -1.95 0.00 0.00 55.36 52.19 1m05 s GLN 89 Cb 0.03 -0.73 -0.10 0.00 -0.22 0.00 0.00 33.01 31.99 1m05 s GLN 89 CO 0.90 0.16 0.95 -2.30 -0.25 0.00 0.00 175.29 174.75 1m05 n PRO 90 N 1.44 1.21 -3.91 2.91 -0.02 -1.26 -4.94 135.00 130.42 1m05 n PRO 90 Ca -0.21 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 1m05 n PRO 90 Cb 0.54 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.95 1m05 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1m05 s LYS 91 N -2.00 3.95 -0.15 -0.52 2.20 0.83 -4.89 119.74 119.15 1m05 s LYS 91 Ca 0.64 -0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1m05 s LYS 91 Cb -0.55 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1m05 s LYS 91 CO 0.56 0.18 -0.08 0.42 -0.36 0.00 0.00 175.35 176.07 1m05 s ILE 92 N 0.65 3.45 -0.19 5.43 1.01 -1.26 0.10 121.20 130.39 1m05 s ILE 92 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1m05 s ILE 92 Cb -0.13 -2.49 0.03 0.00 0.01 0.00 0.00 42.46 39.87 1m05 s ILE 92 CO 0.01 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 1m05 s VAL 93 N 0.50 2.05 0.44 2.92 1.01 0.62 -4.94 120.40 123.01 1m05 s VAL 93 Ca -0.06 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 1m05 s VAL 93 Cb -0.15 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 1m05 s VAL 93 CO 0.03 0.46 1.03 -0.54 0.00 0.00 0.00 175.10 176.09 1m05 s LYS 94 N 1.27 4.01 -0.07 2.72 1.02 -1.26 -0.67 119.74 126.77 1m05 s LYS 94 Ca 0.03 1.40 -0.29 0.00 0.02 0.00 0.00 55.97 57.13 1m05 s LYS 94 Cb -0.14 -2.30 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1m05 s LYS 94 CO -0.12 -0.26 0.95 -0.46 -0.92 0.00 0.00 175.35 174.54 1m05 s TRP 95 N -1.86 3.57 -0.26 3.18 -0.00 0.39 -4.84 118.94 119.12 1m05 s TRP 95 Ca 0.62 1.56 -0.00 0.00 -0.00 0.00 0.00 56.10 58.28 1m05 s TRP 95 Cb -0.18 -3.10 0.04 0.00 -0.00 0.00 0.00 33.47 30.23 1m05 s TRP 95 CO 0.22 -0.11 -0.06 0.34 -0.00 0.00 0.00 176.95 177.34 1m05 s ASP 96 N 1.04 4.44 0.51 5.86 -1.08 -1.26 -4.77 116.67 121.41 1m05 s ASP 96 Ca 0.48 -1.11 0.33 0.00 -0.52 0.00 0.00 52.55 51.72 1m05 s ASP 96 Cb -0.19 -1.64 1.46 0.00 -1.46 0.00 0.00 42.92 41.09 1m05 s ASP 96 CO 0.21 -0.17 1.80 -0.09 0.52 0.00 0.00 175.17 177.43 1m05 h ARG 97 N 7.94 0.08 -0.75 4.34 2.43 -1.95 0.35 114.38 126.83 1m05 h ARG 97 Ca -0.27 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.78 1m05 h ARG 97 Cb 1.08 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.54 1m05 h ARG 97 CO 0.54 0.05 0.15 -0.25 -1.51 0.00 0.00 179.97 178.95 1m05 n ASP 98 N -4.29 4.57 0.00 -3.80 8.00 -1.26 -4.80 116.55 114.98 1m05 n ASP 98 Ca 0.26 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.84 1m05 n ASP 98 Cb 1.17 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1m05 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04