#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wit n LYS 2 N 0.00 0.45 -2.54 1.96 5.02 -1.26 -1.07 118.16 120.72 1wit n LYS 2 Ca 0.00 0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.08 1wit n LYS 2 Cb 0.00 -2.40 -0.02 0.00 -0.02 0.00 0.00 35.03 32.58 1wit n LYS 2 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1wit s PRO 3 N -3.77 4.10 -1.12 1.97 0.04 -1.18 -4.15 135.00 130.89 1wit s PRO 3 Ca 0.75 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 63.01 1wit s PRO 3 Cb -0.32 -3.76 0.28 0.00 0.04 0.00 0.00 34.50 30.74 1wit s PRO 3 CO 0.49 -0.86 1.15 1.17 0.04 0.00 0.00 177.00 178.99 1wit n LYS 4 N 6.82 3.63 -2.36 4.56 4.81 0.02 -4.36 118.16 131.28 1wit n LYS 4 Ca 0.13 -4.47 -0.43 0.00 -0.87 0.00 0.00 58.31 52.67 1wit n LYS 4 Cb 0.46 -2.55 -0.02 0.00 0.02 0.00 0.00 35.03 32.94 1wit n LYS 4 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1wit s ILE 5 N -1.44 4.07 -0.83 3.15 2.07 -1.26 -1.54 121.20 125.42 1wit s ILE 5 Ca 0.31 1.23 0.12 0.00 -1.41 0.00 0.00 60.65 60.90 1wit s ILE 5 Cb -0.09 -4.03 -0.07 0.00 0.13 0.00 0.00 42.46 38.40 1wit s ILE 5 CO -0.06 -0.37 0.61 0.18 -1.91 0.00 0.00 174.94 173.38 1wit n LEU 6 N 7.59 0.93 -4.49 8.50 4.32 -0.01 -4.89 117.00 128.96 1wit n LEU 6 Ca 0.15 -0.62 -0.64 0.00 -0.02 0.00 0.00 56.01 54.89 1wit n LEU 6 Cb 0.46 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.17 1wit n LEU 6 CO 0.62 0.20 1.07 1.07 -1.22 0.00 0.00 177.39 179.13 1wit n THR 7 N -0.80 0.00 -0.32 -5.08 5.66 -1.18 -4.73 114.28 107.83 1wit n THR 7 Ca 0.04 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.13 1wit n THR 7 Cb 0.22 -0.46 0.20 0.00 -1.55 0.00 0.00 70.33 68.75 1wit n THR 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wit h ALA 8 N 4.67 0.89 -4.43 1.79 0.00 -1.94 -3.47 119.26 116.77 1wit h ALA 8 Ca -0.42 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wit h ALA 8 Cb 1.30 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1wit h ALA 8 CO 0.92 -0.47 -0.97 -1.13 0.00 0.00 0.00 179.25 177.59 1wit n SER 9 N -5.49 -9.13 0.00 0.00 3.41 -1.26 -4.91 113.62 96.24 1wit n SER 9 Ca 0.18 1.42 0.00 0.00 -0.26 0.00 0.00 58.87 60.21 1wit n SER 9 Cb 0.59 -5.18 0.00 0.00 -0.26 0.00 0.00 64.21 59.37 1wit n SER 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wit n ARG 10 N 1.77 0.00 -3.14 4.33 1.74 -0.67 -4.81 116.66 115.88 1wit n ARG 10 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1wit n ARG 10 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 1wit n ARG 10 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1wit n LYS 11 N -0.60 0.48 -3.27 5.56 2.85 -1.26 -1.59 118.16 120.34 1wit n LYS 11 Ca 0.00 -1.82 -0.06 0.00 -1.05 0.00 0.00 58.31 55.38 1wit n LYS 11 Cb 0.00 1.78 -0.05 0.00 -0.65 0.00 0.00 35.03 36.11 1wit n LYS 11 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1wit s ILE 12 N -2.67 -0.72 -0.99 0.58 -1.09 0.14 -4.70 121.20 111.76 1wit s ILE 12 Ca 0.19 -0.23 -0.23 0.00 -2.23 0.00 0.00 60.65 58.14 1wit s ILE 12 Cb -0.01 -0.99 0.05 0.00 -1.58 0.00 0.00 42.46 39.93 1wit s ILE 12 CO 0.13 -0.22 1.44 -0.54 -1.23 0.00 0.00 174.94 174.52 1wit s LYS 13 N 2.61 3.55 0.29 2.79 1.02 -1.26 -1.48 119.74 127.25 1wit s LYS 13 Ca 0.10 -1.03 0.06 0.00 0.02 0.00 0.00 55.97 55.12 1wit s LYS 13 Cb -0.12 -5.25 -0.02 0.00 -0.52 0.00 0.00 37.83 31.92 1wit s LYS 13 CO -0.29 -2.21 0.36 0.42 -0.92 0.00 0.00 175.35 172.71 1wit s ILE 14 N 5.09 4.46 0.53 2.17 1.01 -0.51 -4.98 121.20 128.96 1wit s ILE 14 Ca 0.45 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 60.07 1wit s ILE 14 Cb -0.01 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.99 1wit s ILE 14 CO -0.08 -0.25 0.63 -0.54 0.00 0.00 0.00 174.94 174.70 1wit s LYS 15 N -4.03 2.38 0.31 2.79 -0.14 -1.26 -0.88 119.74 118.91 1wit s LYS 15 Ca 0.39 -1.68 -0.20 0.00 -1.36 0.00 0.00 55.97 53.12 1wit s LYS 15 Cb -0.09 -2.50 -0.09 0.00 -1.68 0.00 0.00 37.83 33.47 1wit s LYS 15 CO 0.29 -0.66 0.81 0.00 -0.76 0.00 0.00 175.35 175.03 1wit s ALA 16 N -2.63 3.28 -1.39 5.17 0.00 -1.26 -3.64 121.76 121.29 1wit s ALA 16 Ca 0.53 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1wit s ALA 16 Cb -0.05 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.15 1wit s ALA 16 CO 0.33 0.26 0.35 0.41 0.00 0.00 0.00 175.76 177.11 1wit n GLY 17 N 0.14 -0.50 2.23 0.00 0.00 0.44 -4.87 105.19 102.62 1wit n GLY 17 Ca 0.02 0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1wit n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wit n PHE 18 N -4.01 -0.13 -4.67 1.61 3.01 -0.49 -4.88 117.46 107.90 1wit n PHE 18 Ca -0.11 -1.45 -0.28 0.00 1.01 0.00 0.00 57.45 56.62 1wit n PHE 18 Cb 0.60 -0.23 -0.17 0.00 -0.01 0.00 0.00 39.48 39.67 1wit n PHE 18 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1wit s THR 19 N -1.86 1.55 0.30 4.37 -4.23 -1.24 -1.42 115.64 113.11 1wit s THR 19 Ca 0.09 -0.70 0.10 0.00 -1.18 0.00 0.00 61.69 60.01 1wit s THR 19 Cb -0.01 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.39 1wit s THR 19 CO 0.06 0.45 -0.08 -2.28 -0.54 0.00 0.00 174.62 172.23 1wit s HIS 20 N 0.75 2.48 -0.51 3.99 2.46 -0.32 -4.82 115.29 119.32 1wit s HIS 20 Ca -0.12 -0.35 0.04 0.00 0.47 0.00 0.00 55.06 55.10 1wit s HIS 20 Cb -0.16 -1.23 0.16 0.00 -0.13 0.00 0.00 32.58 31.22 1wit s HIS 20 CO 0.02 0.61 0.35 0.54 -2.47 0.00 0.00 174.74 173.79 1wit s ASN 21 N -3.62 3.25 0.17 9.88 2.20 -1.26 -1.18 114.94 124.39 1wit s ASN 21 Ca 0.32 -3.13 -0.30 0.00 -0.94 0.00 0.00 52.86 48.81 1wit s ASN 21 Cb -0.03 -1.00 -0.08 0.00 -2.00 0.00 0.00 41.25 38.14 1wit s ASN 21 CO 0.18 -0.18 1.30 -0.22 -2.94 0.00 0.00 177.10 175.24 1wit s LEU 22 N -0.26 4.41 0.13 3.54 0.20 0.12 -4.91 118.68 121.91 1wit s LEU 22 Ca 0.25 2.35 0.08 0.00 0.69 0.00 0.00 54.13 57.49 1wit s LEU 22 Cb -0.09 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 1wit s LEU 22 CO -0.11 -0.53 -0.18 -0.70 -0.29 0.00 0.00 176.35 174.54 1wit s GLU 23 N 0.15 1.14 0.19 1.98 2.12 -1.26 -0.23 118.70 122.78 1wit s GLU 23 Ca 0.58 -1.27 -0.23 0.00 0.36 0.00 0.00 54.97 54.42 1wit s GLU 23 Cb -0.36 -1.21 0.06 0.00 0.26 0.00 0.00 34.13 32.89 1wit s GLU 23 CO 0.36 0.25 0.63 0.08 -0.54 0.00 0.00 175.26 176.04 1wit s VAL 24 N -1.77 0.00 -0.07 3.70 1.01 0.23 -4.90 120.40 118.59 1wit s VAL 24 Ca 0.10 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1wit s VAL 24 Cb -0.07 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1wit s VAL 24 CO 0.05 0.00 0.35 -0.62 0.00 0.00 0.00 175.10 174.88 1wit s ASP 25 N -2.79 -0.30 -0.29 3.32 -1.08 -1.26 -1.49 116.67 112.79 1wit s ASP 25 Ca 0.03 0.40 -0.14 0.00 -0.52 0.00 0.00 52.55 52.32 1wit s ASP 25 Cb -0.02 0.52 0.11 0.00 -1.46 0.00 0.00 42.92 42.07 1wit s ASP 25 CO -0.09 -0.32 0.76 0.72 0.52 0.00 0.00 175.17 176.77 1wit s PHE 26 N -0.66 -1.02 -1.15 -5.34 -0.12 -0.48 -0.83 117.98 108.38 1wit s PHE 26 Ca -0.08 1.92 -0.20 0.00 -0.05 0.00 0.00 56.93 58.53 1wit s PHE 26 Cb -0.04 0.61 0.07 0.00 -0.63 0.00 0.00 43.02 43.03 1wit s PHE 26 CO 0.03 -0.51 1.57 0.42 -0.05 0.00 0.00 175.22 176.68 1wit s ILE 27 N 2.03 4.09 0.09 -4.49 1.09 -0.59 -2.72 121.20 120.70 1wit s ILE 27 Ca -0.08 -1.40 0.10 0.00 -1.10 0.00 0.00 60.65 58.17 1wit s ILE 27 Cb -0.07 -5.11 -0.04 0.00 -1.06 0.00 0.00 42.46 36.19 1wit s ILE 27 CO -0.19 -1.95 -0.24 -0.83 -0.10 0.00 0.00 174.94 171.63 1wit s GLY 28 N 4.50 1.54 0.00 6.18 0.00 -1.25 -0.80 107.32 117.48 1wit s GLY 28 Ca 0.49 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1wit s GLY 28 CO -0.01 -1.29 0.00 0.00 0.00 0.00 0.00 173.10 171.80 1wit n ALA 29 N 1.27 0.00 -1.77 3.20 0.00 -0.23 -4.24 120.51 118.73 1wit n ALA 29 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 1wit n ALA 29 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 1wit n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wit s PRO 30 N -2.00 4.29 -0.18 0.00 0.04 -1.26 -1.25 135.00 134.65 1wit s PRO 30 Ca 0.00 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1wit s PRO 30 Cb 0.00 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1wit s PRO 30 CO 0.00 -0.06 0.26 -3.47 0.04 0.00 0.00 177.00 173.77 1wit n ASP 31 N 0.35 -4.44 -2.28 6.66 2.03 -1.26 -4.94 116.55 112.66 1wit n ASP 31 Ca 0.03 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1wit n ASP 31 Cb 0.48 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1wit n ASP 31 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1wit n PRO 32 N 0.44 0.11 -3.68 -0.67 -0.04 -1.26 -4.96 135.00 124.94 1wit n PRO 32 Ca -0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.19 1wit n PRO 32 Cb 0.45 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.73 1wit n PRO 32 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1wit s THR 33 N -0.79 0.10 -0.16 0.52 2.01 -0.54 -4.96 115.64 111.81 1wit s THR 33 Ca 0.00 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1wit s THR 33 Cb 0.00 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1wit s THR 33 CO 0.00 -0.02 -0.09 0.00 -0.69 0.00 0.00 174.62 173.82 1wit s ALA 34 N 2.07 2.72 -0.16 7.40 0.00 -1.26 -0.73 121.76 131.79 1wit s ALA 34 Ca 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1wit s ALA 34 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1wit s ALA 34 CO -0.06 0.01 -0.09 0.99 0.00 0.00 0.00 175.76 176.61 1wit s THR 35 N 0.74 3.28 -0.63 0.00 2.01 -0.56 -4.96 115.64 115.52 1wit s THR 35 Ca -0.04 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1wit s THR 35 Cb -0.15 -2.42 0.09 0.00 0.01 0.00 0.00 72.50 70.02 1wit s THR 35 CO 0.02 0.49 0.85 0.26 -0.69 0.00 0.00 174.62 175.55 1wit s TRP 36 N 0.69 2.81 0.48 4.92 0.52 -1.26 -1.58 118.94 125.52 1wit s TRP 36 Ca -0.05 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.42 1wit s TRP 36 Cb -0.15 -4.17 0.02 0.00 -1.15 0.00 0.00 33.47 28.02 1wit s TRP 36 CO 0.02 -1.50 0.52 0.95 0.02 0.00 0.00 176.95 176.97 1wit s THR 37 N 3.46 2.42 -0.53 2.01 -4.23 0.76 -2.39 115.64 117.13 1wit s THR 37 Ca 0.17 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1wit s THR 37 Cb -0.20 -2.63 0.32 0.00 1.34 0.00 0.00 72.50 71.33 1wit s THR 37 CO 0.08 0.00 0.83 0.55 -0.54 0.00 0.00 174.62 175.55 1wit n VAL 38 N -1.82 1.99 -1.64 2.29 3.14 -0.63 0.36 118.33 122.02 1wit n VAL 38 Ca 0.06 -5.19 0.00 0.00 -2.96 0.00 0.00 64.34 56.25 1wit n VAL 38 Cb 0.62 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1wit n VAL 38 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wit n GLY 39 N 0.21 0.85 3.36 7.55 0.00 0.79 -4.23 105.19 113.72 1wit n GLY 39 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1wit n GLY 39 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wit n ASP 40 N -3.67 -0.26 -3.50 1.61 -0.08 -1.26 -1.95 116.55 107.44 1wit n ASP 40 Ca 0.00 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.09 1wit n ASP 40 Cb 0.00 -1.10 0.08 0.00 2.34 0.00 0.00 41.12 42.44 1wit n ASP 40 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wit n SER 41 N -0.03 -3.10 0.00 1.67 2.88 -1.26 -4.17 113.62 109.61 1wit n SER 41 Ca 0.00 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1wit n SER 41 Cb 0.01 -5.02 0.00 0.00 -0.75 0.00 0.00 64.21 58.45 1wit n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wit n GLY 42 N -1.38 0.70 3.74 0.46 0.00 -1.22 -5.14 105.19 102.35 1wit n GLY 42 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1wit n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wit s ALA 43 N 0.00 1.88 0.23 4.61 0.00 -0.82 -4.92 121.76 122.73 1wit s ALA 43 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1wit s ALA 43 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1wit s ALA 43 CO 0.00 -2.08 0.20 0.00 0.00 0.00 0.00 175.76 173.87 1wit s ALA 44 N -2.91 1.17 0.01 0.00 0.00 -1.26 -1.61 121.76 117.15 1wit s ALA 44 Ca 0.62 -1.69 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1wit s ALA 44 Cb -0.18 1.37 -0.01 0.00 0.00 0.00 0.00 23.12 24.30 1wit s ALA 44 CO 0.57 -0.63 -0.01 -0.48 0.00 0.00 0.00 175.76 175.20 1wit s LEU 45 N -3.19 2.13 0.00 0.00 -0.00 -1.01 -4.17 118.68 112.44 1wit s LEU 45 Ca 0.38 -0.30 0.00 0.00 -0.00 0.00 0.00 54.13 54.21 1wit s LEU 45 Cb 0.05 0.08 0.00 0.00 -0.00 0.00 0.00 46.19 46.32 1wit s LEU 45 CO 0.15 -0.19 0.00 0.00 -0.00 0.00 0.00 176.35 176.31 1wit n ALA 46 N 2.16 0.00 0.61 1.48 0.00 -1.26 -4.75 120.51 118.76 1wit n ALA 46 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 1wit n ALA 46 Cb 0.57 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.37 1wit n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wit n PRO 47 N 0.00 0.10 -0.66 0.00 -0.04 -1.26 -1.51 135.00 131.62 1wit n PRO 47 Ca 0.00 0.20 0.05 0.00 -0.04 0.00 0.00 63.50 63.71 1wit n PRO 47 Cb 0.00 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 1wit n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wit n GLU 48 N -1.40 3.45 -3.17 0.54 -0.58 -1.26 -5.00 120.64 113.23 1wit n GLU 48 Ca 0.05 -2.99 0.00 0.00 -0.42 0.00 0.00 57.16 53.81 1wit n GLU 48 Cb 0.15 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 1wit n GLU 48 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 1wit n LEU 49 N -0.23 0.00 -4.74 -4.62 -0.00 -0.57 -4.64 117.00 102.20 1wit n LEU 49 Ca 0.26 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 56.05 1wit n LEU 49 Cb 1.05 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.41 1wit n LEU 49 CO 0.24 0.00 -0.21 -0.76 -0.00 0.00 0.00 177.39 176.65 1wit s LEU 50 N 0.00 3.41 -0.13 1.47 1.43 -0.10 -4.76 118.68 119.99 1wit s LEU 50 Ca 0.00 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1wit s LEU 50 Cb 0.00 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.33 1wit s LEU 50 CO 0.00 -0.16 0.41 -0.69 0.23 0.00 0.00 176.35 176.15 1wit s VAL 51 N -2.31 0.01 0.04 -1.59 1.01 -1.26 0.24 120.40 116.53 1wit s VAL 51 Ca 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1wit s VAL 51 Cb -0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1wit s VAL 51 CO 0.23 -0.04 -0.03 -1.81 0.00 0.00 0.00 175.10 173.45 1wit s ASP 52 N -0.06 0.46 -0.13 3.32 1.11 0.63 -4.82 116.67 117.17 1wit s ASP 52 Ca -0.02 -0.81 -0.28 0.00 0.18 0.00 0.00 52.55 51.62 1wit s ASP 52 Cb -0.03 0.15 0.07 0.00 1.07 0.00 0.00 42.92 44.18 1wit s ASP 52 CO 0.01 -0.47 0.68 0.00 1.18 0.00 0.00 175.17 176.57 1wit s ALA 53 N -2.95 -1.73 0.22 5.23 0.00 -1.26 -1.34 121.76 119.94 1wit s ALA 53 Ca -0.01 1.56 0.10 0.00 0.00 0.00 0.00 51.96 53.61 1wit s ALA 53 Cb 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1wit s ALA 53 CO -0.06 -0.35 -0.18 0.15 0.00 0.00 0.00 175.76 175.31 1wit s LYS 54 N -0.57 1.47 0.17 0.00 1.02 0.22 -4.90 119.74 117.15 1wit s LYS 54 Ca -0.07 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.12 1wit s LYS 54 Cb -0.02 -1.48 0.09 0.00 -0.52 0.00 0.00 37.83 35.89 1wit s LYS 54 CO 0.06 0.28 1.65 0.77 -0.92 0.00 0.00 175.35 177.19 1wit h SER 55 N 2.64 -0.57 -0.73 2.83 0.02 -1.93 -1.78 113.55 114.03 1wit h SER 55 Ca -0.40 0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.50 1wit h SER 55 Cb 1.23 0.32 -0.11 0.00 0.14 0.00 0.00 62.40 63.98 1wit h SER 55 CO 0.58 -0.20 0.24 -1.20 -1.14 0.00 0.00 176.83 175.10 1wit n SER 56 N -5.35 5.03 -0.81 3.07 7.64 -1.25 -3.96 113.62 117.98 1wit n SER 56 Ca 0.02 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.72 1wit n SER 56 Cb 0.26 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1wit n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wit n THR 57 N -0.01 0.00 0.00 0.44 5.66 -0.67 -1.38 114.28 118.31 1wit n THR 57 Ca 0.39 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 1wit n THR 57 Cb 1.37 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1wit n THR 57 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1wit n THR 58 N 0.00 0.00 -3.63 1.09 5.66 -0.55 -0.61 114.28 116.24 1wit n THR 58 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1wit n THR 58 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 1wit n THR 58 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1wit s SER 59 N 0.00 -0.63 0.14 1.09 1.04 -0.45 0.73 113.70 115.63 1wit s SER 59 Ca 0.00 1.07 0.06 0.00 0.48 0.00 0.00 55.95 57.55 1wit s SER 59 Cb 0.00 1.05 -0.04 0.00 0.10 0.00 0.00 66.02 67.13 1wit s SER 59 CO 0.00 -0.33 -0.14 0.27 0.98 0.00 0.00 173.24 174.02 1wit s ILE 60 N -0.14 1.37 0.22 -1.02 -4.36 0.68 -0.27 121.20 117.67 1wit s ILE 60 Ca -0.04 -1.84 0.05 0.00 -0.26 0.00 0.00 60.65 58.57 1wit s ILE 60 Cb -0.03 -1.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.99 1wit s ILE 60 CO 0.03 -0.49 0.28 -0.36 0.24 0.00 0.00 174.94 174.64 1wit s PHE 61 N -2.42 3.33 -0.30 1.37 0.40 0.14 0.12 117.98 120.61 1wit s PHE 61 Ca 0.12 -0.02 0.19 0.00 -0.60 0.00 0.00 56.93 56.62 1wit s PHE 61 Cb -0.03 -1.53 0.47 0.00 0.51 0.00 0.00 43.02 42.44 1wit s PHE 61 CO 0.03 0.49 1.04 1.19 0.70 0.00 0.00 175.22 178.67 1wit n PHE 62 N -1.07 0.91 0.20 0.36 3.01 -0.32 -0.92 117.46 119.62 1wit n PHE 62 Ca -0.08 -2.49 0.07 0.00 1.01 0.00 0.00 57.45 55.96 1wit n PHE 62 Cb 0.56 -0.17 0.34 0.00 -0.01 0.00 0.00 39.48 40.20 1wit n PHE 62 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1wit n PRO 63 N -0.32 0.08 -2.41 -1.08 -0.04 -1.26 -1.18 135.00 128.79 1wit n PRO 63 Ca 0.07 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.79 1wit n PRO 63 Cb 0.82 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1wit n PRO 63 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wit n SER 64 N -1.89 4.32 -4.78 3.54 7.64 -1.22 -4.25 113.62 116.98 1wit n SER 64 Ca 0.00 -3.57 -0.39 0.00 1.01 0.00 0.00 58.87 55.93 1wit n SER 64 Cb 0.08 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 1wit n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wit s ALA 65 N -3.52 3.39 0.29 -0.43 0.00 -0.51 -4.74 121.76 116.25 1wit s ALA 65 Ca 0.46 0.40 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1wit s ALA 65 Cb 0.41 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 20.51 1wit s ALA 65 CO -0.11 0.27 0.43 0.15 0.00 0.00 0.00 175.76 176.50 1wit s LYS 66 N -1.41 1.69 0.33 0.00 1.02 -1.26 0.17 119.74 120.27 1wit s LYS 66 Ca 0.40 -1.55 0.11 0.00 0.02 0.00 0.00 55.97 54.94 1wit s LYS 66 Cb -0.22 0.43 0.99 0.00 -0.52 0.00 0.00 37.83 38.51 1wit s LYS 66 CO 0.26 -0.69 1.64 -0.09 -0.92 0.00 0.00 175.35 175.56 1wit h ARG 67 N 2.23 0.23 -0.62 1.68 2.43 -1.88 0.46 114.38 118.92 1wit h ARG 67 Ca -0.29 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1wit h ARG 67 Cb 1.25 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 1wit h ARG 67 CO 0.39 0.16 0.36 0.00 -1.51 0.00 0.00 179.97 179.37 1wit h ALA 68 N 1.85 0.81 -0.81 2.80 0.00 -1.96 -0.89 119.26 121.07 1wit h ALA 68 Ca 0.69 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.83 1wit h ALA 68 Cb 1.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1wit h ALA 68 CO -0.66 0.06 0.92 -0.44 0.00 0.00 0.00 179.25 179.13 1wit h ASP 69 N 0.68 0.00 -0.22 0.00 5.19 -0.44 -3.38 116.42 118.25 1wit h ASP 69 Ca 0.26 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.36 1wit h ASP 69 Cb 0.10 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.54 1wit h ASP 69 CO -0.14 0.00 1.48 -1.54 -3.12 0.00 0.00 179.24 175.92 1wit n SER 70 N -3.43 -0.04 -3.12 6.45 3.41 -0.34 -4.77 113.62 111.78 1wit n SER 70 Ca 0.17 -0.63 -0.13 0.00 -0.26 0.00 0.00 58.87 58.03 1wit n SER 70 Cb 1.18 -0.96 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1wit n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wit s GLY 71 N 5.34 1.14 -0.70 5.00 0.00 0.45 -4.96 107.32 113.59 1wit s GLY 71 Ca 1.21 -1.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.49 1wit s GLY 71 CO 0.41 -0.78 0.67 -1.31 0.00 0.00 0.00 173.10 172.10 1wit s ASN 72 N -3.19 6.49 -0.73 1.64 -0.87 -1.26 -0.65 114.94 116.37 1wit s ASN 72 Ca 0.26 -2.22 -0.26 0.00 -1.57 0.00 0.00 52.86 49.07 1wit s ASN 72 Cb -0.02 -2.23 -0.02 0.00 -0.02 0.00 0.00 41.25 38.96 1wit s ASN 72 CO 0.18 -0.75 1.83 -0.31 -2.57 0.00 0.00 177.10 175.48 1wit s TYR 73 N 1.02 1.79 -0.27 2.20 1.51 0.28 0.28 117.35 124.17 1wit s TYR 73 Ca 0.12 0.60 -0.09 0.00 -1.01 0.00 0.00 57.07 56.69 1wit s TYR 73 Cb -0.19 -4.14 -0.04 0.00 -0.11 0.00 0.00 41.96 37.48 1wit s TYR 73 CO -0.03 -2.09 0.14 0.21 -1.11 0.00 0.00 175.55 172.66 1wit s LYS 74 N 6.85 3.79 -0.04 -0.62 2.20 0.16 -0.10 119.74 131.97 1wit s LYS 74 Ca 0.65 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1wit s LYS 74 Cb -0.10 -3.51 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1wit s LYS 74 CO 0.12 -0.20 -0.03 -1.17 -0.36 0.00 0.00 175.35 173.72 1wit s LEU 75 N 1.69 3.39 -0.09 5.43 0.20 -0.62 -0.17 118.68 128.51 1wit s LEU 75 Ca 0.07 0.01 -0.02 0.00 0.69 0.00 0.00 54.13 54.88 1wit s LEU 75 Cb -0.16 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.78 1wit s LEU 75 CO 0.07 0.33 0.00 -0.54 -0.29 0.00 0.00 176.35 175.93 1wit s LYS 76 N -1.17 0.65 0.34 1.98 1.02 -0.61 -1.40 119.74 120.55 1wit s LYS 76 Ca 0.16 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.25 1wit s LYS 76 Cb -0.11 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 35.99 1wit s LYS 76 CO 0.06 -0.35 0.13 0.14 -0.92 0.00 0.00 175.35 174.41 1wit s VAL 77 N 1.95 2.99 0.19 3.17 -7.23 -0.20 -1.50 120.40 119.77 1wit s VAL 77 Ca 0.04 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 1wit s VAL 77 Cb -0.13 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.87 1wit s VAL 77 CO -0.06 -0.18 0.37 2.29 -0.31 0.00 0.00 175.10 177.21 1wit n LYS 78 N -1.14 0.53 -2.74 4.82 2.85 0.09 -1.47 118.16 121.09 1wit n LYS 78 Ca -0.03 -1.17 0.01 0.00 -1.05 0.00 0.00 58.31 56.07 1wit n LYS 78 Cb 0.61 1.38 0.01 0.00 -0.65 0.00 0.00 35.03 36.38 1wit n LYS 78 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wit s ASN 79 N -2.04 -0.27 0.00 -5.58 2.47 0.15 -1.47 114.94 108.20 1wit s ASN 79 Ca 0.09 -0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1wit s ASN 79 Cb -0.02 0.35 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1wit s ASN 79 CO 0.07 -0.03 0.00 1.21 -3.72 0.00 0.00 177.10 174.63 1wit n GLU 80 N 3.57 0.00 0.00 0.43 2.13 -1.26 -1.52 120.64 123.98 1wit n GLU 80 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1wit n GLU 80 Cb 0.64 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.35 1wit n GLU 80 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wit n LEU 81 N 0.00 0.00 -4.78 4.31 4.32 -1.26 -5.01 117.00 114.59 1wit n LEU 81 Ca 0.00 -0.42 -0.38 0.00 -0.02 0.00 0.00 56.01 55.19 1wit n LEU 81 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1wit n LEU 81 CO 0.00 0.00 0.21 -0.83 -1.22 0.00 0.00 177.39 175.55 1wit s GLY 82 N -0.98 2.53 -0.00 -0.72 0.00 -0.58 -5.02 107.32 102.55 1wit s GLY 82 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1wit s GLY 82 CO 0.00 0.55 -0.00 -1.83 0.00 0.00 0.00 173.10 171.82 1wit s GLU 83 N -0.35 0.02 0.13 2.90 -1.05 -1.26 0.33 118.70 119.41 1wit s GLU 83 Ca 0.27 0.00 -0.04 0.00 -0.15 0.00 0.00 54.97 55.06 1wit s GLU 83 Cb -0.17 -0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.45 1wit s GLU 83 CO 0.15 -0.01 0.12 0.34 0.95 0.00 0.00 175.26 176.81 1wit s ASP 84 N 0.07 0.24 -0.07 0.83 -1.08 -0.55 -4.84 116.67 111.26 1wit s ASP 84 Ca -0.01 -1.05 -0.25 0.00 -0.52 0.00 0.00 52.55 50.73 1wit s ASP 84 Cb -0.01 0.33 0.06 0.00 -1.46 0.00 0.00 42.92 41.83 1wit s ASP 84 CO -0.00 -0.76 0.57 -0.70 0.52 0.00 0.00 175.17 174.79 1wit s GLU 85 N -4.00 0.89 -0.05 4.34 2.12 -1.26 -1.03 118.70 119.71 1wit s GLU 85 Ca 0.19 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.79 1wit s GLU 85 Cb 0.06 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.88 1wit s GLU 85 CO -0.01 -0.24 -0.09 0.00 -0.54 0.00 0.00 175.26 174.38 1wit s ALA 86 N -0.93 0.94 -0.13 6.30 0.00 -0.49 -5.00 121.76 122.44 1wit s ALA 86 Ca -0.10 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1wit s ALA 86 Cb -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1wit s ALA 86 CO 0.07 0.09 0.35 -1.50 0.00 0.00 0.00 175.76 174.76 1wit s ILE 87 N 0.59 5.26 -0.34 0.00 -1.16 -1.26 -1.58 121.20 122.70 1wit s ILE 87 Ca -0.10 0.67 0.00 0.00 -0.51 0.00 0.00 60.65 60.72 1wit s ILE 87 Cb -0.13 -3.68 0.11 0.00 0.61 0.00 0.00 42.46 39.36 1wit s ILE 87 CO 0.02 0.40 0.12 -0.36 -2.81 0.00 0.00 174.94 172.30 1wit s PHE 88 N 0.33 2.03 -0.54 3.50 0.40 0.86 -1.67 117.98 122.89 1wit s PHE 88 Ca 0.20 -2.06 -0.28 0.00 -0.60 0.00 0.00 56.93 54.19 1wit s PHE 88 Cb -0.14 -1.91 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1wit s PHE 88 CO 0.06 -0.87 1.26 -2.00 0.70 0.00 0.00 175.22 174.37 1wit s GLU 89 N 1.24 3.52 -0.22 0.44 2.12 -0.62 0.10 118.70 125.28 1wit s GLU 89 Ca 0.12 0.44 -0.09 0.00 0.36 0.00 0.00 54.97 55.80 1wit s GLU 89 Cb -0.19 -4.02 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 1wit s GLU 89 CO -0.17 -1.66 0.12 0.08 -0.54 0.00 0.00 175.26 173.08 1wit s VAL 90 N 5.15 5.10 0.32 3.70 1.01 0.18 0.28 120.40 136.15 1wit s VAL 90 Ca 0.48 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.63 1wit s VAL 90 Cb -0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1wit s VAL 90 CO 0.28 0.40 -0.07 -0.63 0.00 0.00 0.00 175.10 175.07 1wit s ILE 91 N 0.77 1.99 0.02 2.22 1.01 -0.55 -0.41 121.20 126.24 1wit s ILE 91 Ca 0.06 -2.16 0.04 0.00 0.00 0.00 0.00 60.65 58.59 1wit s ILE 91 Cb -0.13 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 1wit s ILE 91 CO 0.02 -0.22 -0.12 -0.69 0.00 0.00 0.00 174.94 173.93 1wit s VAL 92 N -2.78 0.96 0.00 2.92 1.01 -1.25 -1.43 120.40 119.83 1wit s VAL 92 Ca 0.32 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1wit s VAL 92 Cb 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1wit s VAL 92 CO 0.15 0.10 0.27 0.00 0.00 0.00 0.00 175.10 175.62