#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cik s GLN 2 N 0.00 1.60 -0.05 6.28 -0.21 -1.26 -4.81 119.66 121.20 2cik s GLN 2 Ca 0.00 -1.30 0.04 0.00 0.02 0.00 0.00 55.36 54.12 2cik s GLN 2 Cb 0.00 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.02 2cik s GLN 2 CO 0.00 0.45 -0.16 1.03 -2.12 0.00 0.00 175.29 174.49 2cik s ARG 3 N -2.21 1.85 0.27 2.91 0.52 0.85 -4.94 118.95 118.19 2cik s ARG 3 Ca 0.17 -0.57 -0.19 0.00 -0.52 0.00 0.00 55.73 54.62 2cik s ARG 3 Cb -0.10 -1.55 -0.09 0.00 0.52 0.00 0.00 34.95 33.73 2cik s ARG 3 CO 0.09 0.17 0.76 -0.08 0.02 0.00 0.00 175.30 176.25 2cik s THR 4 N 0.25 4.56 0.33 0.02 -1.32 -1.26 -1.78 115.64 116.43 2cik s THR 4 Ca -0.08 1.25 -0.29 0.00 -1.21 0.00 0.00 61.69 61.37 2cik s THR 4 Cb -0.13 -3.80 -0.10 0.00 -1.51 0.00 0.00 72.50 66.96 2cik s THR 4 CO 0.03 0.07 1.26 -2.16 -2.21 0.00 0.00 174.62 171.61 2cik s PRO 5 N -2.30 4.38 0.36 7.08 0.04 -1.26 -4.29 135.00 139.02 2cik s PRO 5 Ca 0.47 2.11 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 2cik s PRO 5 Cb -0.15 -3.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.23 2cik s PRO 5 CO 0.20 -0.12 0.90 0.15 0.04 0.00 0.00 177.00 178.16 2cik s LYS 6 N -1.77 4.31 -0.05 4.56 1.02 0.89 -4.92 119.74 123.78 2cik s LYS 6 Ca 0.49 1.10 -0.00 0.00 0.02 0.00 0.00 55.97 57.57 2cik s LYS 6 Cb -0.38 -2.46 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2cik s LYS 6 CO 0.50 0.13 -0.00 0.42 -0.92 0.00 0.00 175.35 175.47 2cik s ILE 7 N -1.92 0.30 -0.04 2.17 1.01 -1.26 -1.72 121.20 119.73 2cik s ILE 7 Ca 0.56 0.09 0.05 0.00 0.00 0.00 0.00 60.65 61.35 2cik s ILE 7 Cb -0.13 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.92 2cik s ILE 7 CO 0.18 0.21 -0.19 -1.10 0.00 0.00 0.00 174.94 174.03 2cik s GLN 8 N 1.48 1.97 -0.11 2.79 -0.21 -0.50 -5.00 119.66 120.07 2cik s GLN 8 Ca -0.03 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.68 2cik s GLN 8 Cb -0.13 -1.71 0.01 0.00 1.00 0.00 0.00 33.01 32.19 2cik s GLN 8 CO -0.03 0.29 -0.17 0.08 -2.12 0.00 0.00 175.29 173.34 2cik s VAL 9 N -0.05 1.64 0.16 1.09 1.01 -1.26 -0.87 120.40 122.12 2cik s VAL 9 Ca -0.03 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 2cik s VAL 9 Cb -0.12 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.84 2cik s VAL 9 CO 0.02 0.47 0.94 -0.72 0.00 0.00 0.00 175.10 175.81 2cik s TYR 10 N 0.92 -0.14 0.15 5.22 1.13 -0.72 -4.47 117.35 119.43 2cik s TYR 10 Ca -0.07 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 2cik s TYR 10 Cb -0.15 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 2cik s TYR 10 CO -0.01 -0.86 0.14 -1.54 -2.51 0.00 0.00 175.55 170.76 2cik s SER 11 N -2.94 5.60 0.10 -0.18 1.04 -1.26 -0.41 113.70 115.65 2cik s SER 11 Ca 0.12 -0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.26 2cik s SER 11 Cb -0.02 -1.50 -0.11 0.00 0.10 0.00 0.00 66.02 64.50 2cik s SER 11 CO 0.03 0.09 1.70 -0.09 0.98 0.00 0.00 173.24 175.95 2cik h ARG 12 N 2.56 0.18 -6.23 4.02 2.43 -1.55 -3.45 114.38 112.34 2cik h ARG 12 Ca -0.47 -0.02 -0.55 0.00 -0.81 0.00 0.00 59.98 58.12 2cik h ARG 12 Cb 1.19 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 2cik h ARG 12 CO 0.64 0.18 -0.61 -1.01 -1.51 0.00 0.00 179.97 177.66 2cik s HIS 13 N -5.92 2.84 0.26 2.20 3.76 -1.26 -5.04 115.29 112.12 2cik s HIS 13 Ca -0.13 -0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.30 2cik s HIS 13 Cb 0.07 -1.29 -0.13 0.00 1.11 0.00 0.00 32.58 32.34 2cik s HIS 13 CO 0.68 0.57 1.35 -2.30 -0.85 0.00 0.00 174.74 174.20 2cik n PRO 14 N -0.82 1.96 -2.31 8.40 -0.02 -1.26 -4.87 135.00 136.08 2cik n PRO 14 Ca -0.07 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 2cik n PRO 14 Cb 0.58 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2cik n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2cik s ALA 15 N -0.31 3.51 -0.12 3.55 0.00 -1.26 -5.01 121.76 122.12 2cik s ALA 15 Ca 0.66 0.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.48 2cik s ALA 15 Cb -0.65 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 18.98 2cik s ALA 15 CO 0.53 -0.70 -0.03 -1.21 0.00 0.00 0.00 175.76 174.36 2cik s GLU 16 N 1.74 1.03 0.19 0.00 2.02 -1.26 -5.12 118.70 117.30 2cik s GLU 16 Ca 0.61 -0.20 -0.32 0.00 0.02 0.00 0.00 54.97 55.08 2cik s GLU 16 Cb -0.31 -1.53 -0.15 0.00 0.10 0.00 0.00 34.13 32.24 2cik s GLU 16 CO 0.27 -0.37 1.18 0.09 0.02 0.00 0.00 175.26 176.45 2cik n ASN 17 N 5.02 1.54 0.00 -0.19 3.02 -1.26 -1.37 115.26 122.02 2cik n ASN 17 Ca -0.10 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2cik n ASN 17 Cb 0.49 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 2cik n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cik n GLY 18 N 1.97 1.19 3.50 7.41 0.00 -0.43 -5.00 105.19 113.84 2cik n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2cik n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cik s LYS 19 N -0.11 3.71 0.69 1.61 2.47 -0.47 -5.01 119.74 122.63 2cik s LYS 19 Ca 0.00 -0.48 -0.17 0.00 -1.56 0.00 0.00 55.97 53.76 2cik s LYS 19 Cb 0.00 -3.07 0.01 0.00 -1.46 0.00 0.00 37.83 33.32 2cik s LYS 19 CO 0.00 0.13 1.25 0.45 0.16 0.00 0.00 175.35 177.35 2cik s SER 20 N 0.69 4.38 0.09 1.43 0.15 -1.26 -4.16 113.70 115.01 2cik s SER 20 Ca 0.00 2.50 -0.03 0.00 0.70 0.00 0.00 55.95 59.12 2cik s SER 20 Cb -0.14 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.58 2cik s SER 20 CO 0.02 -2.15 0.18 -3.20 1.20 0.00 0.00 173.24 169.29 2cik n ASN 21 N -2.30 -0.51 -4.16 5.45 2.85 0.15 -4.97 115.26 111.77 2cik n ASN 21 Ca 0.15 -1.35 -0.28 0.00 -0.11 0.00 0.00 54.58 52.99 2cik n ASN 21 Cb 0.49 0.84 -0.16 0.00 1.24 0.00 0.00 39.78 42.19 2cik n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2cik s PHE 22 N -7.31 2.04 -0.20 1.20 0.40 -1.26 -0.83 117.98 112.01 2cik s PHE 22 Ca 0.04 -0.69 -0.16 0.00 -0.60 0.00 0.00 56.93 55.51 2cik s PHE 22 Cb -0.01 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2cik s PHE 22 CO 0.03 -0.26 0.40 -1.17 0.70 0.00 0.00 175.22 174.91 2cik s LEU 23 N 0.19 4.15 -0.06 -0.37 2.96 0.11 -1.24 118.68 124.42 2cik s LEU 23 Ca -0.10 0.52 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2cik s LEU 23 Cb -0.14 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 2cik s LEU 23 CO 0.05 -0.08 -0.13 0.20 -1.32 0.00 0.00 176.35 175.06 2cik s ASN 24 N 1.06 4.12 -0.22 3.68 0.01 0.45 -1.34 114.94 122.70 2cik s ASN 24 Ca 0.19 -0.18 -0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2cik s ASN 24 Cb -0.15 -0.96 0.06 0.00 0.41 0.00 0.00 41.25 40.61 2cik s ASN 24 CO 0.08 0.33 -0.03 0.00 -1.51 0.00 0.00 177.10 175.97 2cik s TYR 26 N 1.53 3.22 -0.13 0.00 5.04 -0.05 -0.79 117.35 126.16 2cik s TYR 26 Ca -0.04 0.01 -0.03 0.00 -2.44 0.00 0.00 57.07 54.56 2cik s TYR 26 Cb -0.18 -2.63 -0.03 0.00 0.35 0.00 0.00 41.96 39.47 2cik s TYR 26 CO -0.07 -0.39 -0.02 0.14 -1.34 0.00 0.00 175.55 173.87 2cik s VAL 27 N 1.98 4.12 0.18 3.14 -7.23 -0.46 -1.41 120.40 120.72 2cik s VAL 27 Ca 0.11 -0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 2cik s VAL 27 Cb -0.17 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2cik s VAL 27 CO 0.11 0.53 0.42 -0.94 -0.31 0.00 0.00 175.10 174.92 2cik s SER 28 N -0.14 -0.13 -1.09 4.85 1.04 -0.70 -0.94 113.70 116.60 2cik s SER 28 Ca 0.04 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.81 2cik s SER 28 Cb -0.13 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2cik s SER 28 CO 0.02 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2cik n GLY 29 N -0.29 1.17 3.83 7.32 0.00 -0.60 -0.07 105.19 116.55 2cik n GLY 29 Ca -0.09 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 2cik n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cik s PHE 30 N -2.36 3.20 -0.29 1.61 -0.12 -1.22 -4.32 117.98 114.48 2cik s PHE 30 Ca 0.00 -0.03 -0.16 0.00 -0.05 0.00 0.00 56.93 56.69 2cik s PHE 30 Cb 0.00 -1.51 0.12 0.00 -0.63 0.00 0.00 43.02 41.01 2cik s PHE 30 CO 0.00 0.51 0.88 -1.58 -0.05 0.00 0.00 175.22 174.99 2cik s HIS 31 N -1.86 -0.73 1.00 3.49 2.46 -0.73 -0.94 115.29 117.98 2cik s HIS 31 Ca 0.32 1.47 -0.17 0.00 0.47 0.00 0.00 55.06 57.15 2cik s HIS 31 Cb -0.10 0.44 0.24 0.00 -0.13 0.00 0.00 32.58 33.03 2cik s HIS 31 CO 0.25 -0.36 1.02 -0.35 -2.47 0.00 0.00 174.74 172.83 2cik n PRO 32 N 3.84 -2.28 0.20 2.88 -0.04 -1.26 -0.11 135.00 138.23 2cik n PRO 32 Ca -0.19 -1.61 0.10 0.00 -0.04 0.00 0.00 63.50 61.76 2cik n PRO 32 Cb 0.58 -1.35 0.17 0.00 -0.04 0.00 0.00 33.50 32.87 2cik n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cik h SER 33 N -2.17 0.00 -2.85 3.54 4.64 -1.99 -3.45 113.55 111.26 2cik h SER 33 Ca -0.36 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.43 2cik h SER 33 Cb 1.07 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.21 2cik h SER 33 CO 0.24 0.14 0.88 -1.81 -0.87 0.00 0.00 176.83 175.42 2cik s ASP 34 N -6.25 6.57 -0.13 4.97 1.11 -1.26 -4.97 116.67 116.71 2cik s ASP 34 Ca 0.06 2.64 -0.26 0.00 0.18 0.00 0.00 52.55 55.17 2cik s ASP 34 Cb 0.06 -2.60 0.06 0.00 1.07 0.00 0.00 42.92 41.52 2cik s ASP 34 CO 0.68 -0.83 0.62 -0.51 1.18 0.00 0.00 175.17 176.31 2cik s ILE 35 N 1.06 0.01 -0.13 0.77 2.07 -1.26 -4.64 121.20 119.07 2cik s ILE 35 Ca 0.70 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 2cik s ILE 35 Cb -0.44 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.22 2cik s ILE 35 CO 0.32 -0.03 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.57 2cik s GLU 36 N -0.57 3.35 -0.04 3.50 2.02 -0.06 -5.00 118.70 121.90 2cik s GLU 36 Ca -0.07 -0.70 -0.00 0.00 0.02 0.00 0.00 54.97 54.22 2cik s GLU 36 Cb -0.02 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.61 2cik s GLU 36 CO 0.06 0.18 0.01 0.08 0.02 0.00 0.00 175.26 175.61 2cik s VAL 37 N 0.43 0.14 0.07 2.63 1.01 -1.26 -0.83 120.40 122.59 2cik s VAL 37 Ca -0.10 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2cik s VAL 37 Cb -0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 2cik s VAL 37 CO 0.05 0.16 -0.17 -1.81 0.00 0.00 0.00 175.10 173.34 2cik s ASP 38 N 1.35 2.00 -0.13 3.32 1.01 -0.48 -5.00 116.67 118.74 2cik s ASP 38 Ca -0.05 -0.60 -0.09 0.00 0.71 0.00 0.00 52.55 52.52 2cik s ASP 38 Cb -0.13 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 2cik s ASP 38 CO -0.02 0.00 0.16 -0.76 0.21 0.00 0.00 175.17 174.76 2cik s LEU 39 N -1.63 4.34 -0.07 1.23 1.43 -1.26 -0.59 118.68 122.14 2cik s LEU 39 Ca 0.02 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 2cik s LEU 39 Cb -0.09 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 2cik s LEU 39 CO 0.03 0.33 -0.15 -0.76 0.23 0.00 0.00 176.35 176.03 2cik s LEU 40 N -0.60 2.69 -0.25 1.79 1.43 -0.08 -0.64 118.68 123.02 2cik s LEU 40 Ca 0.14 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 2cik s LEU 40 Cb -0.12 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2cik s LEU 40 CO 0.03 0.30 -0.03 -0.75 0.23 0.00 0.00 176.35 176.13 2cik s LYS 41 N -0.48 3.01 -1.46 1.70 2.20 0.24 -2.13 119.74 122.82 2cik s LYS 41 Ca 0.06 -0.87 -0.06 0.00 -0.36 0.00 0.00 55.97 54.74 2cik s LYS 41 Cb -0.12 -3.06 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 2cik s LYS 41 CO 0.02 -0.36 0.67 0.09 -0.36 0.00 0.00 175.35 175.41 2cik n ASN 42 N 4.73 -1.98 0.00 1.43 3.02 0.48 -1.50 115.26 121.44 2cik n ASN 42 Ca -0.17 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 2cik n ASN 42 Cb 0.48 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.22 2cik n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cik n GLY 43 N -1.73 2.07 3.57 7.41 0.00 -1.26 -5.01 105.19 110.24 2cik n GLY 43 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2cik n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cik s GLU 44 N -0.11 3.70 0.11 1.61 2.02 -0.56 -4.98 118.70 120.48 2cik s GLU 44 Ca 0.00 -0.45 -0.32 0.00 0.02 0.00 0.00 54.97 54.22 2cik s GLU 44 Cb 0.00 -3.00 -0.12 0.00 0.10 0.00 0.00 34.13 31.11 2cik s GLU 44 CO 0.00 0.31 1.78 -2.13 0.02 0.00 0.00 175.26 175.24 2cik n ARG 45 N 3.37 2.57 -2.76 1.61 0.63 -1.26 -0.59 116.66 120.22 2cik n ARG 45 Ca -0.17 0.93 -0.40 0.00 -0.92 0.00 0.00 57.85 57.29 2cik n ARG 45 Cb 0.52 -2.79 -0.05 0.00 0.45 0.00 0.00 32.46 30.59 2cik n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2cik s ILE 46 N 2.38 4.28 0.66 5.15 1.01 0.19 -4.89 121.20 129.98 2cik s ILE 46 Ca 0.82 2.05 -0.06 0.00 0.00 0.00 0.00 60.65 63.46 2cik s ILE 46 Cb -0.56 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 37.64 2cik s ILE 46 CO 0.39 0.42 0.97 -1.61 0.00 0.00 0.00 174.94 175.11 2cik s GLU 47 N -0.68 2.49 -1.78 2.79 2.02 -1.26 -4.41 118.70 117.88 2cik s GLU 47 Ca 0.43 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 55.25 2cik s GLU 47 Cb -0.25 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2cik s GLU 47 CO 0.31 -1.02 0.00 1.63 0.02 0.00 0.00 175.26 176.20 2cik n LYS 48 N -2.78 -1.70 -2.61 1.61 5.02 -1.26 -4.96 118.16 111.48 2cik n LYS 48 Ca 0.07 1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.95 2cik n LYS 48 Cb 0.59 -5.63 -0.04 0.00 -0.02 0.00 0.00 35.03 29.94 2cik n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cik s VAL 49 N -2.97 4.38 0.41 -0.18 1.01 -1.26 -4.87 120.40 116.92 2cik s VAL 49 Ca 0.00 1.84 0.08 0.00 0.00 0.00 0.00 61.98 63.90 2cik s VAL 49 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2cik s VAL 49 CO 0.00 0.22 0.30 -1.61 0.00 0.00 0.00 175.10 174.01 2cik s GLU 50 N 0.46 2.44 0.06 2.72 2.02 -0.66 -4.94 118.70 120.80 2cik s GLU 50 Ca 0.51 -1.62 -0.10 0.00 0.02 0.00 0.00 54.97 53.78 2cik s GLU 50 Cb -0.25 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.74 2cik s GLU 50 CO 0.30 -0.14 0.22 -3.38 0.02 0.00 0.00 175.26 172.28 2cik s HIS 51 N -2.50 0.06 0.94 1.61 -3.43 -1.26 -1.06 115.29 109.66 2cik s HIS 51 Ca 0.45 -0.37 -0.12 0.00 -0.80 0.00 0.00 55.06 54.22 2cik s HIS 51 Cb -0.01 -0.01 0.16 0.00 -1.43 0.00 0.00 32.58 31.28 2cik s HIS 51 CO 0.26 -0.50 1.09 -1.54 -2.00 0.00 0.00 174.74 172.05 2cik s SER 52 N -2.45 3.08 0.28 7.38 1.04 -0.29 -4.99 113.70 117.75 2cik s SER 52 Ca -0.00 1.38 -0.29 0.00 0.48 0.00 0.00 55.95 57.52 2cik s SER 52 Cb 0.02 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 2cik s SER 52 CO -0.07 -2.87 1.05 -1.81 0.98 0.00 0.00 173.24 170.51 2cik s ASP 53 N -3.40 7.33 0.04 7.02 1.01 -1.26 -4.78 116.67 122.64 2cik s ASP 53 Ca 0.64 2.15 -0.33 0.00 0.71 0.00 0.00 52.55 55.72 2cik s ASP 53 Cb -0.18 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.01 2cik s ASP 53 CO 0.57 -0.08 1.82 -0.11 0.21 0.00 0.00 175.17 177.58 2cik n LEU 54 N 1.15 3.65 -4.30 1.23 7.94 -1.26 -4.92 117.00 120.49 2cik n LEU 54 Ca -0.01 0.99 -0.20 0.00 -1.11 0.00 0.00 56.01 55.68 2cik n LEU 54 Cb 0.46 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 2cik n LEU 54 CO 0.52 0.00 -0.11 -0.55 -1.11 0.00 0.00 177.39 176.14 2cik s SER 55 N 3.05 1.75 0.05 1.96 0.15 -1.24 -5.06 113.70 114.36 2cik s SER 55 Ca 0.86 -1.76 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 2cik s SER 55 Cb -0.59 0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2cik s SER 55 CO 0.43 -1.06 0.13 0.72 1.20 0.00 0.00 173.24 174.66 2cik s PHE 56 N -3.43 0.19 0.78 3.44 -0.71 -1.26 -2.04 117.98 114.95 2cik s PHE 56 Ca 0.40 -0.52 -0.07 0.00 -1.04 0.00 0.00 56.93 55.70 2cik s PHE 56 Cb 0.02 -0.12 0.12 0.00 -1.21 0.00 0.00 43.02 41.83 2cik s PHE 56 CO 0.27 -0.42 1.09 -1.12 -1.34 0.00 0.00 175.22 173.70 2cik s SER 57 N -2.35 4.20 0.53 1.98 0.01 0.09 -4.94 113.70 113.22 2cik s SER 57 Ca -0.02 0.11 0.18 0.00 1.31 0.00 0.00 55.95 57.54 2cik s SER 57 Cb 0.01 -0.51 1.36 0.00 0.21 0.00 0.00 66.02 67.09 2cik s SER 57 CO -0.06 -1.99 2.16 0.11 0.41 0.00 0.00 173.24 173.87 2cik h LYS 58 N -0.84 0.00 -0.33 12.44 1.57 -2.03 -0.57 116.57 126.81 2cik h LYS 58 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2cik h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2cik h LYS 58 CO 0.47 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 2cik n ASP 59 N -4.43 1.09 0.00 0.86 5.68 -1.26 -4.90 116.55 113.59 2cik n ASP 59 Ca -0.03 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2cik n ASP 59 Cb 0.10 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 2cik n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2cik n TRP 60 N -0.01 0.00 -2.60 2.11 7.02 -0.22 -5.02 117.44 118.73 2cik n TRP 60 Ca 0.05 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 2cik n TRP 60 Cb 0.20 -0.30 -0.04 0.00 -2.42 0.00 0.00 31.31 28.75 2cik n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2cik s SER 61 N -3.15 6.49 0.45 -0.99 1.04 -1.26 -4.69 113.70 111.59 2cik s SER 61 Ca 0.00 1.90 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 2cik s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2cik s SER 61 CO 0.00 -0.68 0.77 -0.36 0.98 0.00 0.00 173.24 173.95 2cik s PHE 62 N -1.98 3.53 -0.02 5.02 0.08 -0.11 -0.73 117.98 123.76 2cik s PHE 62 Ca 0.65 0.88 -0.10 0.00 0.12 0.00 0.00 56.93 58.49 2cik s PHE 62 Cb -0.16 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2cik s PHE 62 CO 0.19 -0.20 0.21 1.52 -0.10 0.00 0.00 175.22 176.85 2cik s TYR 63 N -2.58 -0.10 -0.09 0.36 -0.85 -0.86 -1.56 117.35 111.67 2cik s TYR 63 Ca 0.48 0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 57.10 2cik s TYR 63 Cb -0.10 0.03 0.03 0.00 0.38 0.00 0.00 41.96 42.29 2cik s TYR 63 CO 0.40 -0.28 0.29 -0.51 -1.52 0.00 0.00 175.55 173.93 2cik s LEU 64 N -1.00 0.89 -0.25 -3.49 1.43 -0.11 -3.59 118.68 112.55 2cik s LEU 64 Ca -0.11 0.48 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2cik s LEU 64 Cb -0.05 1.05 -0.03 0.00 0.03 0.00 0.00 46.19 47.18 2cik s LEU 64 CO 0.02 -0.17 0.09 -0.22 0.23 0.00 0.00 176.35 176.30 2cik s LEU 65 N -0.16 3.60 -0.13 1.79 2.96 -1.26 -1.36 118.68 124.11 2cik s LEU 65 Ca -0.03 -0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2cik s LEU 65 Cb -0.03 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2cik s LEU 65 CO 0.01 -0.01 0.12 -0.31 -1.32 0.00 0.00 176.35 174.84 2cik s TYR 66 N 1.49 3.50 -0.01 5.38 1.51 0.03 -1.14 117.35 128.11 2cik s TYR 66 Ca 0.06 0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 56.35 2cik s TYR 66 Cb -0.15 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2cik s TYR 66 CO 0.05 0.60 0.43 1.52 -1.11 0.00 0.00 175.55 177.05 2cik s TYR 67 N -0.71 -0.33 -0.07 2.71 1.13 -0.22 -0.21 117.35 119.65 2cik s TYR 67 Ca 0.13 0.50 -0.14 0.00 -1.41 0.00 0.00 57.07 56.15 2cik s TYR 67 Cb -0.12 0.21 0.03 0.00 -1.10 0.00 0.00 41.96 40.98 2cik s TYR 67 CO 0.03 -0.49 0.34 -0.08 -2.51 0.00 0.00 175.55 172.84 2cik s THR 68 N -1.53 0.03 0.40 -3.49 -1.32 -0.45 -1.65 115.64 107.63 2cik s THR 68 Ca -0.11 -0.25 -0.27 0.00 -1.21 0.00 0.00 61.69 59.86 2cik s THR 68 Cb -0.03 -0.58 -0.10 0.00 -1.51 0.00 0.00 72.50 70.28 2cik s THR 68 CO 0.05 -0.13 1.39 1.21 -2.21 0.00 0.00 174.62 174.92 2cik n GLU 69 N 2.00 2.31 -3.61 7.08 2.13 -1.26 0.04 120.64 129.32 2cik n GLU 69 Ca -0.18 0.81 -0.10 0.00 0.66 0.00 0.00 57.16 58.35 2cik n GLU 69 Cb 0.57 -2.53 -0.03 0.00 0.27 0.00 0.00 31.44 29.71 2cik n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 2cik s PHE 70 N -1.15 -0.28 -0.30 4.31 -0.71 -0.01 -4.77 117.98 115.07 2cik s PHE 70 Ca 0.57 -0.02 0.03 0.00 -1.04 0.00 0.00 56.93 56.48 2cik s PHE 70 Cb -0.49 0.43 0.08 0.00 -1.21 0.00 0.00 43.02 41.83 2cik s PHE 70 CO 0.61 -0.86 -0.02 0.99 -1.34 0.00 0.00 175.22 174.60 2cik s THR 71 N -3.82 2.11 0.62 -4.49 2.01 -1.26 0.31 115.64 111.12 2cik s THR 71 Ca 0.05 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 59.93 2cik s THR 71 Cb -0.01 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2cik s THR 71 CO -0.08 -0.35 1.16 -2.16 -0.69 0.00 0.00 174.62 172.50 2cik s PRO 72 N 1.05 2.89 0.34 4.92 0.04 -1.26 -4.80 135.00 138.18 2cik s PRO 72 Ca 0.02 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2cik s PRO 72 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2cik s PRO 72 CO -0.08 -1.23 0.14 0.95 0.04 0.00 0.00 177.00 176.83 2cik s THR 73 N -1.90 0.51 0.22 1.26 -4.23 -1.26 -1.31 115.64 108.93 2cik s THR 73 Ca 0.73 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.17 2cik s THR 73 Cb -0.26 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.28 2cik s THR 73 CO 0.36 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.18 2cik h GLU 74 N 2.06 1.23 0.07 3.99 4.81 -1.97 -3.36 114.58 121.40 2cik h GLU 74 Ca -0.35 -0.17 -0.37 0.00 -0.13 0.00 0.00 59.36 58.34 2cik h GLU 74 Cb 1.26 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2cik h GLU 74 CO 0.55 0.93 -2.20 0.36 -0.73 0.00 0.00 179.01 177.92 2cik n LYS 75 N -4.32 0.71 -1.92 1.92 2.85 -1.26 -4.95 118.16 111.18 2cik n LYS 75 Ca 0.09 0.21 -0.42 0.00 -1.05 0.00 0.00 58.31 57.14 2cik n LYS 75 Cb 0.13 -1.63 -0.03 0.00 -0.65 0.00 0.00 35.03 32.85 2cik n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2cik s ASP 76 N -6.76 6.57 -0.17 -5.58 1.01 -1.26 -5.00 116.67 105.48 2cik s ASP 76 Ca -0.27 2.68 -0.08 0.00 0.71 0.00 0.00 52.55 55.60 2cik s ASP 76 Cb 0.08 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2cik s ASP 76 CO 0.70 -0.81 0.10 -1.61 0.21 0.00 0.00 175.17 173.77 2cik s GLU 77 N 0.55 3.84 0.18 8.23 2.02 -1.26 -4.71 118.70 127.55 2cik s GLU 77 Ca 0.67 -0.24 0.09 0.00 0.02 0.00 0.00 54.97 55.50 2cik s GLU 77 Cb -0.44 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 2cik s GLU 77 CO 0.36 0.45 -0.09 0.71 0.02 0.00 0.00 175.26 176.71 2cik s TYR 78 N -0.10 2.63 0.25 1.61 2.02 -1.26 -0.39 117.35 122.12 2cik s TYR 78 Ca 0.09 -0.22 -0.22 0.00 -0.37 0.00 0.00 57.07 56.35 2cik s TYR 78 Cb -0.12 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2cik s TYR 78 CO 0.00 0.52 0.74 0.00 -1.57 0.00 0.00 175.55 175.24 2cik s ALA 79 N -1.72 -1.31 -0.10 3.71 0.00 -0.91 -1.04 121.76 120.39 2cik s ALA 79 Ca 0.25 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.04 2cik s ALA 79 Cb -0.09 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.87 2cik s ALA 79 CO 0.15 -1.02 -0.15 0.00 0.00 0.00 0.00 175.76 174.75 2cik s ARG 81 N 0.96 3.42 -0.11 0.00 3.52 0.25 -0.76 118.95 126.23 2cik s ARG 81 Ca -0.07 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 2cik s ARG 81 Cb -0.15 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 29.70 2cik s ARG 81 CO -0.01 -0.37 -0.21 0.08 -0.81 0.00 0.00 175.30 173.98 2cik s VAL 82 N 1.62 2.31 -0.03 7.11 1.01 0.10 -1.38 120.40 131.14 2cik s VAL 82 Ca 0.05 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.16 2cik s VAL 82 Cb -0.17 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2cik s VAL 82 CO 0.06 0.55 -0.23 0.21 0.00 0.00 0.00 175.10 175.69 2cik s ASN 83 N 0.31 2.76 0.09 3.32 3.04 -0.01 -0.21 114.94 124.24 2cik s ASN 83 Ca -0.16 -0.44 -0.10 0.00 0.04 0.00 0.00 52.86 52.20 2cik s ASN 83 Cb -0.17 -0.49 0.00 0.00 -1.54 0.00 0.00 41.25 39.05 2cik s ASN 83 CO 0.08 0.26 0.22 -2.28 -3.04 0.00 0.00 177.10 172.34 2cik s HIS 84 N -0.37 0.11 0.54 0.43 2.46 -1.26 -0.88 115.29 116.31 2cik s HIS 84 Ca 0.04 -0.53 0.21 0.00 0.47 0.00 0.00 55.06 55.25 2cik s HIS 84 Cb -0.11 -0.02 1.39 0.00 -0.13 0.00 0.00 32.58 33.71 2cik s HIS 84 CO 0.01 -0.57 2.11 -0.24 -2.47 0.00 0.00 174.74 173.58 2cik h VAL 85 N 2.70 0.83 0.00 0.89 3.04 -1.95 -0.65 116.25 121.11 2cik h VAL 85 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2cik h VAL 85 Cb 1.21 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2cik h VAL 85 CO 0.55 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.46 2cik n THR 86 N -4.37 0.52 -4.15 3.17 -2.24 -1.26 -4.80 114.28 101.16 2cik n THR 86 Ca 0.01 0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 2cik n THR 86 Cb 0.27 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 2cik n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cik s LEU 87 N -2.89 3.66 0.17 3.22 1.43 -0.25 -5.01 118.68 119.01 2cik s LEU 87 Ca 0.13 0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2cik s LEU 87 Cb 0.14 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.52 2cik s LEU 87 CO 0.36 0.20 1.67 0.28 0.23 0.00 0.00 176.35 179.10 2cik h SER 88 N 6.47 0.92 -5.22 2.29 0.02 -1.87 -3.44 113.55 112.72 2cik h SER 88 Ca -0.37 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.21 2cik h SER 88 Cb 1.18 -0.24 -0.15 0.00 0.14 0.00 0.00 62.40 63.32 2cik h SER 88 CO 0.66 0.94 -0.64 0.00 -1.14 0.00 0.00 176.83 176.66 2cik s GLN 89 N -5.24 0.63 0.38 3.45 -2.07 -1.26 -5.13 119.66 110.42 2cik s GLN 89 Ca -0.12 -1.16 -0.25 0.00 -1.82 0.00 0.00 55.36 52.00 2cik s GLN 89 Cb 0.13 0.23 -0.12 0.00 -1.09 0.00 0.00 33.01 32.16 2cik s GLN 89 CO 0.82 -0.13 0.95 -2.30 -1.32 0.00 0.00 175.29 173.32 2cik n PRO 90 N 0.13 1.26 -3.83 9.60 -0.02 -1.26 -4.95 135.00 135.92 2cik n PRO 90 Ca -0.14 0.45 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 2cik n PRO 90 Cb 0.61 -1.92 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 2cik n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2cik s LYS 91 N -1.82 4.03 -0.21 -0.52 2.20 0.70 -4.91 119.74 119.21 2cik s LYS 91 Ca 0.62 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.89 2cik s LYS 91 Cb -0.61 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 2cik s LYS 91 CO 0.58 0.19 -0.07 0.42 -0.36 0.00 0.00 175.35 176.11 2cik s ILE 92 N 0.63 3.19 -0.19 5.43 1.01 -1.26 0.03 121.20 130.03 2cik s ILE 92 Ca 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 2cik s ILE 92 Cb -0.13 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2cik s ILE 92 CO 0.01 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.60 2cik s VAL 93 N 1.37 2.92 0.41 2.92 1.01 0.06 -4.95 120.40 124.14 2cik s VAL 93 Ca 0.05 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.14 2cik s VAL 93 Cb -0.14 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 2cik s VAL 93 CO -0.04 0.48 0.98 -0.54 0.00 0.00 0.00 175.10 175.98 2cik s LYS 94 N 1.19 4.23 -0.05 2.72 1.02 -1.26 -0.46 119.74 127.14 2cik s LYS 94 Ca 0.02 1.27 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 2cik s LYS 94 Cb -0.14 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2cik s LYS 94 CO -0.04 -0.04 1.31 -0.46 -0.92 0.00 0.00 175.35 175.20 2cik s TRP 95 N -1.93 2.95 -0.24 3.18 -0.00 -0.21 -4.84 118.94 117.86 2cik s TRP 95 Ca 0.59 0.98 -0.01 0.00 -0.00 0.00 0.00 56.10 57.67 2cik s TRP 95 Cb -0.15 -3.55 0.03 0.00 -0.00 0.00 0.00 33.47 29.80 2cik s TRP 95 CO 0.19 -1.93 -0.09 0.34 -0.00 0.00 0.00 176.95 175.46 2cik s ASP 96 N 1.80 4.11 0.56 5.86 -1.08 -1.26 -4.81 116.67 121.86 2cik s ASP 96 Ca 0.60 -0.88 0.43 0.00 -0.52 0.00 0.00 52.55 52.18 2cik s ASP 96 Cb -0.27 -1.62 1.62 0.00 -1.46 0.00 0.00 42.92 41.19 2cik s ASP 96 CO 0.23 -0.11 1.66 0.03 0.52 0.00 0.00 175.17 177.50 2cik h ARG 97 N 7.97 0.00 -0.64 4.34 3.08 -1.95 -1.83 114.38 125.35 2cik h ARG 97 Ca -0.34 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.40 2cik h ARG 97 Cb 1.11 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.97 2cik h ARG 97 CO 0.57 0.00 0.25 -0.25 -1.07 0.00 0.00 179.97 179.47 2cik n ASP 98 N -3.99 3.20 0.00 7.04 8.00 -1.26 -4.91 116.55 124.63 2cik n ASP 98 Ca 0.35 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 52.20 2cik n ASP 98 Cb 1.65 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 2cik n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04