#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 0.76 1.19 3.03 0.00 -1.26 -5.12 105.19 103.79 2k5h n GLY 2 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2k5h n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k5h n SER 3 N 0.00 -5.74 -3.69 1.61 7.64 -1.26 -5.07 113.62 107.11 2k5h n SER 3 Ca 0.00 0.71 -0.15 0.00 1.01 0.00 0.00 58.87 60.44 2k5h n SER 3 Cb 0.00 -2.76 -0.15 0.00 -1.01 0.00 0.00 64.21 60.29 2k5h n SER 3 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k5h s SER 4 N -0.75 0.45 -0.07 6.43 0.15 -1.26 -5.01 113.70 113.64 2k5h s SER 4 Ca 0.00 0.37 0.14 0.00 0.70 0.00 0.00 55.95 57.16 2k5h s SER 4 Cb 0.00 0.32 0.53 0.00 -1.71 0.00 0.00 66.02 65.16 2k5h s SER 4 CO 0.00 -0.22 1.41 0.00 1.20 0.00 0.00 173.24 175.63 2k5h n HIS 5 N 5.02 1.05 -2.40 3.44 -0.00 -1.26 -4.88 115.22 116.19 2k5h n HIS 5 Ca -0.11 -0.43 -0.43 0.00 -0.00 0.00 0.00 57.72 56.75 2k5h n HIS 5 Cb 0.50 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.99 30.31 2k5h n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5h s HIS 6 N -1.66 2.41 -0.33 -1.40 5.65 -1.26 -4.96 115.29 113.73 2k5h s HIS 6 Ca 0.38 0.61 0.04 0.00 0.25 0.00 0.00 55.06 56.34 2k5h s HIS 6 Cb 0.24 -4.36 0.10 0.00 -1.18 0.00 0.00 32.58 27.38 2k5h s HIS 6 CO 0.20 -1.89 0.05 -1.01 -0.65 0.00 0.00 174.74 171.44 2k5h s HIS 7 N 5.53 3.63 0.00 3.88 0.09 -1.26 -4.82 115.29 122.34 2k5h s HIS 7 Ca 0.57 -2.91 0.00 0.00 -0.00 0.00 0.00 55.06 52.72 2k5h s HIS 7 Cb -0.12 -2.82 0.00 0.00 -0.00 0.00 0.00 32.58 29.65 2k5h s HIS 7 CO 0.30 -0.94 0.00 1.58 -0.00 0.00 0.00 174.74 175.68 2k5h n HIS 8 N 4.29 0.00 -2.89 1.40 -0.00 -1.26 -5.05 115.22 111.72 2k5h n HIS 8 Ca 0.03 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.44 2k5h n HIS 8 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.37 2k5h n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5h s HIS 9 N -1.27 3.44 0.17 1.57 0.09 -1.26 -5.08 115.29 112.94 2k5h s HIS 9 Ca 0.00 1.14 0.04 0.00 -0.00 0.00 0.00 55.06 56.24 2k5h s HIS 9 Cb 0.00 -2.51 -0.04 0.00 -0.00 0.00 0.00 32.58 30.04 2k5h s HIS 9 CO 0.00 -0.08 0.23 -3.38 -0.00 0.00 0.00 174.74 171.51 2k5h s HIS 10 N -2.29 3.32 0.81 1.40 0.00 -1.26 -5.11 115.29 112.17 2k5h s HIS 10 Ca 0.53 0.04 -0.11 0.00 -3.00 0.00 0.00 55.06 52.52 2k5h s HIS 10 Cb -0.10 -1.58 0.11 0.00 -4.00 0.00 0.00 32.58 27.01 2k5h s HIS 10 CO 0.27 0.51 1.15 -1.12 -1.00 0.00 0.00 174.74 174.56 2k5h s SER 11 N -3.28 4.18 0.18 7.38 0.01 -1.26 -4.94 113.70 115.98 2k5h s SER 11 Ca 0.33 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.02 2k5h s SER 11 Cb -0.10 -0.83 0.00 0.00 0.21 0.00 0.00 66.02 65.29 2k5h s SER 11 CO 0.26 -2.05 0.00 -1.20 0.41 0.00 0.00 173.24 170.66 2k5h n SER 12 N -3.29 -4.03 0.00 2.44 7.64 -1.26 -4.97 113.62 110.16 2k5h n SER 12 Ca 0.11 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2k5h n SER 12 Cb 0.60 -2.08 0.00 0.00 -1.01 0.00 0.00 64.21 61.72 2k5h n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k5h n GLY 13 N -2.74 0.63 2.81 0.23 0.00 -1.26 -5.03 105.19 99.82 2k5h n GLY 13 Ca -0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2k5h n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 14 N -0.93 1.00 -0.03 1.61 0.52 -1.26 -5.12 118.95 114.74 2k5h s ARG 14 Ca 0.00 -0.75 0.06 0.00 -0.52 0.00 0.00 55.73 54.51 2k5h s ARG 14 Cb 0.00 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 2k5h s ARG 14 CO 0.00 -0.70 -0.21 -1.83 0.02 0.00 0.00 175.30 172.59 2k5h s GLU 15 N 1.64 1.93 -0.30 3.54 -1.05 -1.26 -5.11 118.70 118.09 2k5h s GLU 15 Ca -0.00 -0.74 -0.04 0.00 -0.15 0.00 0.00 54.97 54.04 2k5h s GLU 15 Cb -0.18 -1.74 0.18 0.00 -0.44 0.00 0.00 34.13 31.95 2k5h s GLU 15 CO -0.11 0.37 0.65 1.21 0.95 0.00 0.00 175.26 178.33 2k5h s ASN 16 N -0.24 -1.27 -0.61 0.83 2.47 -1.26 -5.12 114.94 109.74 2k5h s ASN 16 Ca 0.01 0.96 -0.28 0.00 0.42 0.00 0.00 52.86 53.98 2k5h s ASN 16 Cb -0.11 2.13 0.02 0.00 -1.45 0.00 0.00 41.25 41.85 2k5h s ASN 16 CO 0.01 -0.24 1.36 -0.76 -3.72 0.00 0.00 177.10 173.76 2k5h s LEU 17 N 2.86 3.34 0.15 3.21 1.02 -1.26 -5.00 118.68 123.02 2k5h s LEU 17 Ca 0.15 0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.38 2k5h s LEU 17 Cb -0.14 -2.92 -0.04 0.00 0.02 0.00 0.00 46.19 43.11 2k5h s LEU 17 CO -0.20 -1.74 0.31 -0.31 0.02 0.00 0.00 176.35 174.43 2k5h s TYR 18 N 5.94 3.49 -0.16 0.29 2.02 -1.26 -4.90 117.35 122.77 2k5h s TYR 18 Ca 0.47 0.19 -0.11 0.00 -0.37 0.00 0.00 57.07 57.25 2k5h s TYR 18 Cb -0.09 -1.72 0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2k5h s TYR 18 CO 0.22 0.49 0.22 0.34 -1.57 0.00 0.00 175.55 175.25 2k5h n PHE 19 N -0.50 -4.03 0.27 2.71 7.35 -1.26 -4.94 117.46 117.05 2k5h n PHE 19 Ca -0.06 2.35 -0.16 0.00 -0.76 0.00 0.00 57.45 58.83 2k5h n PHE 19 Cb 0.54 -3.67 -0.08 0.00 0.35 0.00 0.00 39.48 36.62 2k5h n PHE 19 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 2k5h h GLN 20 N 3.64 -0.63 0.00 -4.13 4.20 -2.05 -3.49 115.11 112.66 2k5h h GLN 20 Ca -0.49 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.26 2k5h h GLN 20 Cb 1.11 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2k5h h GLN 20 CO 0.01 -0.36 0.00 0.41 -0.67 0.00 0.00 178.83 178.22 2k5h n GLY 21 N -1.03 3.19 3.73 3.46 0.00 -1.26 -5.19 105.19 108.09 2k5h n GLY 21 Ca -0.11 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 2k5h n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k5h s HIS 22 N 0.00 0.16 -1.48 1.61 -3.43 -1.26 -4.94 115.29 105.95 2k5h s HIS 22 Ca 0.00 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 2k5h s HIS 22 Cb 0.00 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 2k5h s HIS 22 CO 0.00 -1.22 0.00 -1.33 -2.00 0.00 0.00 174.74 170.19 2k5h n MET 23 N -0.46 -1.34 -4.09 -0.38 2.81 -1.26 -4.99 117.12 107.41 2k5h n MET 23 Ca -0.04 0.85 -0.23 0.00 -1.81 0.00 0.00 57.70 56.47 2k5h n MET 23 Cb 0.60 -5.27 -0.06 0.00 -0.71 0.00 0.00 33.22 27.78 2k5h n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k5h n ALA 24 N -1.57 0.47 -2.70 3.04 0.00 -1.26 -5.12 120.51 113.37 2k5h n ALA 24 Ca -0.20 -1.80 -0.41 0.00 0.00 0.00 0.00 53.44 51.03 2k5h n ALA 24 Cb 0.65 1.17 -0.04 0.00 0.00 0.00 0.00 19.45 21.23 2k5h n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5h s ALA 25 N -2.91 3.37 -0.19 0.00 0.00 -1.26 -4.99 121.76 115.77 2k5h s ALA 25 Ca 0.15 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 2k5h s ALA 25 Cb 0.01 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2k5h s ALA 25 CO 0.11 -0.33 1.75 0.50 0.00 0.00 0.00 175.76 177.78 2k5h s ARG 26 N 1.34 3.74 -0.48 0.00 3.52 -1.26 -4.96 118.95 120.85 2k5h s ARG 26 Ca 0.40 1.83 -0.14 0.00 -0.13 0.00 0.00 55.73 57.69 2k5h s ARG 26 Cb -0.18 -4.10 0.09 0.00 -1.56 0.00 0.00 34.95 29.20 2k5h s ARG 26 CO 0.18 -1.38 0.40 0.42 -0.81 0.00 0.00 175.30 174.11 2k5h s ILE 27 N 5.57 5.02 0.00 4.11 1.01 -1.26 -4.78 121.20 130.87 2k5h s ILE 27 Ca 0.78 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2k5h s ILE 27 Cb -0.28 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2k5h s ILE 27 CO 0.32 -0.66 0.00 0.41 0.00 0.00 0.00 174.94 175.01 2k5h n THR 28 N 5.16 0.00 -1.29 2.92 -1.04 -1.26 -4.61 114.28 114.16 2k5h n THR 28 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2k5h n THR 28 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2k5h n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k5h n GLY 29 N 0.00 -2.45 2.71 3.41 0.00 -1.26 -4.88 105.19 102.71 2k5h n GLY 29 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 2k5h n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5h n GLU 30 N 0.00 -2.83 -1.89 1.61 1.02 -1.26 -4.83 120.64 112.46 2k5h n GLU 30 Ca 0.00 2.38 -0.36 0.00 -0.02 0.00 0.00 57.16 59.16 2k5h n GLU 30 Cb 0.00 -5.30 -0.04 0.00 -0.02 0.00 0.00 31.44 26.08 2k5h n GLU 30 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2k5h n PRO 31 N 0.21 1.96 -0.45 3.49 -0.02 -1.26 -4.90 135.00 134.03 2k5h n PRO 31 Ca 0.05 -2.46 0.00 0.00 -2.02 0.00 0.00 63.50 59.07 2k5h n PRO 31 Cb 0.20 -3.44 0.00 0.00 -0.02 0.00 0.00 33.50 30.24 2k5h n PRO 31 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k5h n SER 32 N 10.82 0.00 -4.95 2.55 2.88 -1.26 -5.11 113.62 118.55 2k5h n SER 32 Ca 0.47 -0.51 -0.23 0.00 -1.33 0.00 0.00 58.87 57.28 2k5h n SER 32 Cb 0.44 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2k5h n SER 32 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2k5h s LYS 33 N 0.26 2.75 -1.38 -1.46 -2.85 -1.26 -4.32 119.74 111.48 2k5h s LYS 33 Ca 0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 2k5h s LYS 33 Cb 0.00 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 2k5h s LYS 33 CO 0.00 -0.62 0.00 1.17 0.10 0.00 0.00 175.35 176.00 2k5h n LYS 34 N -2.36 -1.07 -2.36 1.78 4.81 -1.26 -4.97 118.16 112.73 2k5h n LYS 34 Ca 0.05 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.93 2k5h n LYS 34 Cb 0.59 -5.05 -0.03 0.00 0.02 0.00 0.00 35.03 30.55 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 35 N -2.62 3.44 0.09 3.14 0.00 -1.26 -4.94 121.76 119.60 2k5h s ALA 35 Ca 0.00 0.93 -0.33 0.00 0.00 0.00 0.00 51.96 52.56 2k5h s ALA 35 Cb 0.00 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 2k5h s ALA 35 CO 0.00 -0.44 1.73 0.28 0.00 0.00 0.00 175.76 177.33 2k5h n VAL 36 N 3.40 0.24 -3.37 0.00 0.31 -1.26 -4.96 118.33 112.69 2k5h n VAL 36 Ca 0.08 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 2k5h n VAL 36 Cb 0.45 -1.78 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 2k5h n VAL 36 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k5h s SER 37 N 2.20 6.44 0.00 4.52 0.01 -1.26 -4.95 113.70 120.66 2k5h s SER 37 Ca 0.83 0.52 0.29 0.00 1.31 0.00 0.00 55.95 58.90 2k5h s SER 37 Cb -0.63 -2.24 1.21 0.00 0.21 0.00 0.00 66.02 64.58 2k5h s SER 37 CO 0.41 -0.09 1.89 -0.90 0.41 0.00 0.00 173.24 174.96 2k5h n ASP 38 N 4.54 0.12 0.18 2.44 5.75 -1.26 -3.53 116.55 124.79 2k5h n ASP 38 Ca -0.08 0.12 0.13 0.00 -0.01 0.00 0.00 54.79 54.95 2k5h n ASP 38 Cb 0.51 -0.30 0.59 0.00 -1.03 0.00 0.00 41.12 40.89 2k5h n ASP 38 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2k5h h ARG 39 N 0.07 0.00 -0.05 0.11 0.11 -2.02 -1.84 114.38 110.77 2k5h h ARG 39 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k5h h ARG 39 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2k5h h ARG 39 CO 0.00 0.00 0.00 1.47 0.10 0.00 0.00 179.97 181.54 2k5h n LEU 40 N -2.44 2.65 -4.66 0.08 -0.00 -1.23 -4.89 117.00 106.51 2k5h n LEU 40 Ca 0.01 -0.90 -0.42 0.00 -0.00 0.00 0.00 56.01 54.69 2k5h n LEU 40 Cb 0.19 -0.01 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 2k5h n LEU 40 CO 0.19 0.45 0.77 -0.63 -0.00 0.00 0.00 177.39 178.17 2k5h s ILE 41 N -1.97 4.77 0.00 1.47 -1.09 -0.69 -3.13 121.20 120.56 2k5h s ILE 41 Ca 0.31 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.57 2k5h s ILE 41 Cb 0.20 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2k5h s ILE 41 CO 0.31 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.55 2k5h n GLY 42 N 3.41 0.96 3.79 6.18 0.00 0.04 -5.04 105.19 114.54 2k5h n GLY 42 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.69 2.23 0.31 1.61 0.52 -1.18 -4.88 118.95 116.86 2k5h s ARG 43 Ca 0.00 -2.01 -0.23 0.00 -0.52 0.00 0.00 55.73 52.98 2k5h s ARG 43 Cb 0.00 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.45 2k5h s ARG 43 CO 0.00 -0.31 0.87 0.21 0.02 0.00 0.00 175.30 176.09 2k5h s LYS 44 N -4.00 4.40 0.19 3.54 2.20 -1.26 -2.16 119.74 122.64 2k5h s LYS 44 Ca 0.32 1.12 0.01 0.00 -0.36 0.00 0.00 55.97 57.07 2k5h s LYS 44 Cb 0.02 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 2k5h s LYS 44 CO 0.18 0.26 0.03 0.20 -0.36 0.00 0.00 175.35 175.66 2k5h s GLY 45 N -1.76 1.32 0.01 5.54 0.00 0.17 -4.69 107.32 107.92 2k5h s GLY 45 Ca 0.50 -1.64 0.06 0.00 0.00 0.00 0.00 44.72 43.64 2k5h s GLY 45 CO 0.21 -1.53 -0.17 0.54 0.00 0.00 0.00 173.10 172.15 2k5h s VAL 46 N -3.72 2.88 -0.24 1.40 0.11 -1.20 0.05 120.40 119.69 2k5h s VAL 46 Ca 0.27 -1.04 -0.23 0.00 -2.93 0.00 0.00 61.98 58.05 2k5h s VAL 46 Cb 0.07 -2.19 -0.01 0.00 -1.53 0.00 0.00 36.38 32.71 2k5h s VAL 46 CO 0.06 0.41 0.74 -0.69 -3.33 0.00 0.00 175.10 172.29 2k5h s VAL 47 N -0.87 4.91 -0.16 2.04 1.01 -0.21 -0.77 120.40 126.36 2k5h s VAL 47 Ca 0.14 1.37 0.16 0.00 0.00 0.00 0.00 61.98 63.65 2k5h s VAL 47 Cb -0.11 -4.03 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 2k5h s VAL 47 CO 0.04 -0.01 0.09 0.23 0.00 0.00 0.00 175.10 175.45 2k5h n MET 48 N 5.75 1.14 -4.71 2.72 2.81 0.56 -0.64 117.12 124.75 2k5h n MET 48 Ca 0.03 -0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.66 2k5h n MET 48 Cb 0.48 -1.44 -0.15 0.00 -0.71 0.00 0.00 33.22 31.40 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.49 1.24 0.17 0.03 2.56 -0.42 -4.85 118.70 114.93 2k5h s GLU 49 Ca -0.08 -0.56 -0.34 0.00 0.00 0.00 0.00 54.97 53.99 2k5h s GLU 49 Cb 0.06 -1.20 -0.14 0.00 2.00 0.00 0.00 34.13 34.85 2k5h s GLU 49 CO 0.71 0.33 1.52 0.00 -0.56 0.00 0.00 175.26 177.26 2k5h n ALA 50 N 2.67 1.06 -2.84 6.30 0.00 -1.26 -3.11 120.51 123.32 2k5h n ALA 50 Ca -0.14 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 2k5h n ALA 50 Cb 0.55 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N 0.70 4.58 0.26 0.00 1.01 0.09 -4.19 121.20 123.64 2k5h s ILE 51 Ca 0.78 -0.11 0.05 0.00 0.00 0.00 0.00 60.65 61.36 2k5h s ILE 51 Cb -0.71 -3.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2k5h s ILE 51 CO 0.41 0.48 -0.04 -0.94 0.00 0.00 0.00 174.94 174.85 2k5h s SER 52 N 0.26 2.39 0.20 3.58 1.04 -0.86 -0.80 113.70 119.51 2k5h s SER 52 Ca 0.02 -1.20 0.25 0.00 0.48 0.00 0.00 55.95 55.51 2k5h s SER 52 Cb -0.13 -0.10 0.88 0.00 0.10 0.00 0.00 66.02 66.78 2k5h s SER 52 CO 0.01 -0.41 1.77 -0.81 0.98 0.00 0.00 173.24 174.77 2k5h n PRO 53 N -0.51 0.22 -0.03 4.02 -0.04 -1.26 -3.30 135.00 134.10 2k5h n PRO 53 Ca -0.05 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2k5h n PRO 53 Cb 0.64 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 2k5h n PRO 53 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2k5h n GLN 54 N -2.17 0.68 -3.71 0.54 6.02 -1.26 -4.90 117.38 112.58 2k5h n GLN 54 Ca 0.05 0.24 -0.15 0.00 -0.01 0.00 0.00 57.00 57.12 2k5h n GLN 54 Cb 0.37 -1.72 -0.15 0.00 1.02 0.00 0.00 30.24 29.76 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k5h s ASN 55 N -6.34 0.34 0.66 1.08 3.84 -1.21 -5.15 114.94 108.17 2k5h s ASN 55 Ca -0.13 0.31 -0.17 0.00 0.21 0.00 0.00 52.86 53.09 2k5h s ASN 55 Cb 0.07 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 41.00 2k5h s ASN 55 CO 0.79 -0.20 1.19 -0.44 -2.79 0.00 0.00 177.10 175.65 2k5h s SER 56 N 1.76 4.79 0.00 -4.21 0.01 -1.26 -2.03 113.70 112.76 2k5h s SER 56 Ca -0.03 2.30 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2k5h s SER 56 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2k5h s SER 56 CO -0.06 -1.86 0.00 0.61 0.41 0.00 0.00 173.24 172.34 2k5h n GLY 57 N 0.27 3.58 3.09 3.44 0.00 0.76 -4.79 105.19 111.54 2k5h n GLY 57 Ca 0.13 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 2k5h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5h s LEU 58 N 0.00 1.90 0.10 0.99 1.43 -1.18 -0.75 118.68 121.17 2k5h s LEU 58 Ca 0.00 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2k5h s LEU 58 Cb 0.00 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2k5h s LEU 58 CO 0.00 0.01 -0.24 0.68 0.23 0.00 0.00 176.35 177.03 2k5h s VAL 59 N 1.11 2.39 -0.50 -1.59 -7.23 -0.16 -0.32 120.40 114.09 2k5h s VAL 59 Ca -0.02 -1.57 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2k5h s VAL 59 Cb -0.14 -2.03 0.11 0.00 0.56 0.00 0.00 36.38 34.88 2k5h s VAL 59 CO -0.06 0.18 0.43 -0.75 -0.31 0.00 0.00 175.10 174.59 2k5h s LYS 60 N -1.82 2.88 -0.32 4.82 2.20 0.05 -0.45 119.74 127.10 2k5h s LYS 60 Ca 0.14 -1.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.02 2k5h s LYS 60 Cb -0.10 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 2k5h s LYS 60 CO 0.06 -1.20 0.26 0.08 -0.36 0.00 0.00 175.35 174.19 2k5h s VAL 61 N 1.56 5.26 0.00 4.02 1.01 0.08 -3.21 120.40 129.12 2k5h s VAL 61 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2k5h s VAL 61 Cb -0.27 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2k5h s VAL 61 CO 0.03 0.06 0.00 -0.67 0.00 0.00 0.00 175.10 174.52 2k5h n ASP 62 N 5.16 0.00 0.00 3.32 -0.08 -1.26 -1.22 116.55 122.47 2k5h n ASP 62 Ca -0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2k5h n ASP 62 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k5h n GLY 63 N 0.00 -0.58 3.70 0.27 0.00 -1.26 -5.10 105.19 102.22 2k5h n GLY 63 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N 0.00 2.93 -0.35 1.61 0.41 -0.36 -5.08 118.70 117.87 2k5h s GLU 64 Ca 0.00 -0.49 -0.19 0.00 -0.41 0.00 0.00 54.97 53.88 2k5h s GLU 64 Cb 0.00 -2.77 -0.00 0.00 -1.78 0.00 0.00 34.13 29.58 2k5h s GLU 64 CO 0.00 0.67 0.56 0.99 -0.49 0.00 0.00 175.26 176.99 2k5h s THR 65 N -1.00 4.97 0.13 3.63 2.01 -1.26 -0.74 115.64 123.39 2k5h s THR 65 Ca 0.17 0.46 0.09 0.00 0.31 0.00 0.00 61.69 62.72 2k5h s THR 65 Cb -0.11 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2k5h s THR 65 CO 0.07 -0.23 -0.14 0.26 -0.69 0.00 0.00 174.62 173.89 2k5h s TRP 66 N 2.50 2.61 0.08 4.92 0.52 0.40 -4.94 118.94 125.04 2k5h s TRP 66 Ca 0.21 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 55.80 2k5h s TRP 66 Cb -0.15 -1.34 -0.06 0.00 -1.15 0.00 0.00 33.47 30.77 2k5h s TRP 66 CO 0.14 0.44 1.13 1.03 0.02 0.00 0.00 176.95 179.70 2k5h s ARG 67 N -2.38 4.51 -0.01 4.98 3.00 -1.26 -0.99 118.95 126.80 2k5h s ARG 67 Ca 0.21 1.69 0.03 0.00 0.00 0.00 0.00 55.73 57.65 2k5h s ARG 67 Cb -0.10 -3.35 -0.01 0.00 0.00 0.00 0.00 34.95 31.49 2k5h s ARG 67 CO 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 175.30 175.22 2k5h s ALA 68 N 0.66 0.76 0.27 2.13 0.00 0.08 -0.23 121.76 125.43 2k5h s ALA 68 Ca 0.55 -0.40 0.12 0.00 0.00 0.00 0.00 51.96 52.23 2k5h s ALA 68 Cb -0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2k5h s ALA 68 CO 0.31 0.18 -0.17 0.99 0.00 0.00 0.00 175.76 177.07 2k5h s THR 69 N -0.22 2.65 0.25 0.00 2.01 0.26 -0.17 115.64 120.41 2k5h s THR 69 Ca 0.03 -2.30 -0.19 0.00 0.31 0.00 0.00 61.69 59.54 2k5h s THR 69 Cb -0.04 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.10 2k5h s THR 69 CO -0.00 -0.38 0.63 -0.55 -0.69 0.00 0.00 174.62 173.62 2k5h s SER 70 N -3.50 -0.26 0.03 3.53 0.15 -1.26 -1.92 113.70 110.48 2k5h s SER 70 Ca 0.30 -0.59 0.25 0.00 0.70 0.00 0.00 55.95 56.61 2k5h s SER 70 Cb -0.05 0.66 0.54 0.00 -1.71 0.00 0.00 66.02 65.45 2k5h s SER 70 CO 0.16 -1.22 1.44 0.61 1.20 0.00 0.00 173.24 175.43 2k5h n GLY 71 N -0.41 -1.32 3.60 9.45 0.00 -1.26 -3.98 105.19 111.26 2k5h n GLY 71 Ca -0.06 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 2k5h n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5h s THR 72 N -3.05 2.13 -0.26 2.61 2.01 -1.26 -4.81 115.64 113.01 2k5h s THR 72 Ca 0.10 -2.07 -0.22 0.00 0.31 0.00 0.00 61.69 59.81 2k5h s THR 72 Cb 0.16 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 2k5h s THR 72 CO 0.69 -0.08 0.73 -0.69 -0.69 0.00 0.00 174.62 174.57 2k5h s VAL 73 N -2.66 4.90 -0.13 3.82 1.01 -1.26 -4.50 120.40 121.58 2k5h s VAL 73 Ca 0.34 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 2k5h s VAL 73 Cb 0.06 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2k5h s VAL 73 CO 0.18 -0.05 -0.06 -0.76 0.00 0.00 0.00 175.10 174.40 2k5h s LEU 74 N 2.70 3.12 0.60 3.92 1.43 0.02 -4.96 118.68 125.51 2k5h s LEU 74 Ca 0.30 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2k5h s LEU 74 Cb -0.15 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.42 2k5h s LEU 74 CO 0.09 0.22 0.83 -0.62 0.23 0.00 0.00 176.35 177.10 2k5h s ASP 75 N 0.02 4.94 0.27 2.29 -1.08 -1.26 -0.73 116.67 121.13 2k5h s ASP 75 Ca -0.01 -0.40 -0.29 0.00 -0.52 0.00 0.00 52.55 51.34 2k5h s ASP 75 Cb -0.14 -0.25 -0.09 0.00 -1.46 0.00 0.00 42.92 40.98 2k5h s ASP 75 CO 0.03 -1.40 0.98 -0.69 0.52 0.00 0.00 175.17 174.61 2k5h s VAL 76 N -2.82 3.95 0.00 1.11 1.01 -1.26 -3.44 120.40 118.94 2k5h s VAL 76 Ca 0.61 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.46 2k5h s VAL 76 Cb -0.07 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2k5h s VAL 76 CO 0.40 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.48 2k5h n GLY 77 N 1.18 0.57 3.83 4.51 0.00 0.19 -5.01 105.19 110.46 2k5h n GLY 77 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.81 1.91 -0.14 1.61 0.41 -1.22 -4.80 118.70 115.65 2k5h s GLU 78 Ca 0.00 0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.98 2k5h s GLU 78 Cb 0.00 -1.92 -0.01 0.00 -1.78 0.00 0.00 34.13 30.43 2k5h s GLU 78 CO 0.00 -1.69 -0.16 -1.21 -0.49 0.00 0.00 175.26 171.71 2k5h s GLU 79 N -5.30 3.26 0.19 1.61 2.02 -1.26 -1.05 118.70 118.18 2k5h s GLU 79 Ca 0.61 -0.74 0.09 0.00 0.02 0.00 0.00 54.97 54.95 2k5h s GLU 79 Cb -0.13 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2k5h s GLU 79 CO 0.53 0.13 -0.18 0.14 0.02 0.00 0.00 175.26 175.89 2k5h s VAL 80 N 0.54 1.92 -0.18 2.63 -7.23 0.11 -0.60 120.40 117.58 2k5h s VAL 80 Ca -0.10 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 57.95 2k5h s VAL 80 Cb -0.16 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2k5h s VAL 80 CO 0.04 -0.39 0.01 -0.44 -0.31 0.00 0.00 175.10 174.01 2k5h s SER 81 N -2.95 5.06 -0.47 4.85 0.01 0.60 0.46 113.70 121.25 2k5h s SER 81 Ca 0.20 -0.10 -0.27 0.00 1.31 0.00 0.00 55.95 57.08 2k5h s SER 81 Cb -0.04 -1.86 0.03 0.00 0.21 0.00 0.00 66.02 64.36 2k5h s SER 81 CO 0.08 0.12 1.04 -0.69 0.41 0.00 0.00 173.24 174.20 2k5h s VAL 82 N 0.67 4.32 -0.12 3.43 1.01 -0.92 -2.14 120.40 126.65 2k5h s VAL 82 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 2k5h s VAL 82 Cb -0.14 -4.53 -0.26 0.00 0.00 0.00 0.00 36.38 31.45 2k5h s VAL 82 CO 0.02 -0.94 0.41 0.11 0.00 0.00 0.00 175.10 174.70 2k5h h LYS 83 N 9.17 0.24 -3.24 2.72 1.57 -1.21 0.16 116.57 125.99 2k5h h LYS 83 Ca -0.23 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.07 2k5h h LYS 83 Cb 1.07 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2k5h h LYS 83 CO 1.08 1.20 0.17 0.00 -0.57 0.00 0.00 179.45 181.33 2k5h s ALA 84 N -2.52 -0.47 -0.16 3.86 0.00 -1.13 -4.72 121.76 116.62 2k5h s ALA 84 Ca -0.22 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 50.88 2k5h s ALA 84 Cb 0.06 0.79 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2k5h s ALA 84 CO 0.75 -0.95 -0.21 0.42 0.00 0.00 0.00 175.76 175.78 2k5h s ILE 85 N -2.62 2.04 -2.33 0.00 1.01 -1.26 -0.25 121.20 117.80 2k5h s ILE 85 Ca 0.18 -0.95 0.22 0.00 0.00 0.00 0.00 60.65 60.10 2k5h s ILE 85 Cb -0.04 -1.83 0.45 0.00 0.01 0.00 0.00 42.46 41.05 2k5h s ILE 85 CO 0.13 0.54 1.44 -1.84 0.00 0.00 0.00 174.94 175.21 2k5h n GLU 86 N 4.36 2.28 0.00 2.79 0.28 -0.59 -4.93 120.64 124.83 2k5h n GLU 86 Ca -0.20 -1.94 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 2k5h n GLU 86 Cb 0.51 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.91 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k5h n GLY 87 N 1.40 0.62 0.75 -1.84 0.00 -1.26 -4.74 105.19 100.12 2k5h n GLY 87 Ca 0.19 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2k5h n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5h n VAL 88 N 0.00 0.08 -4.45 1.61 0.24 -1.26 -4.90 118.33 109.65 2k5h n VAL 88 Ca 0.00 -0.41 -0.24 0.00 -2.04 0.00 0.00 64.34 61.65 2k5h n VAL 88 Cb 0.00 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.20 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5h s LYS 89 N -1.92 1.60 0.05 7.34 1.02 -1.26 -4.54 119.74 122.02 2k5h s LYS 89 Ca 0.33 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 54.66 2k5h s LYS 89 Cb 0.20 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.76 2k5h s LYS 89 CO 0.31 0.33 0.05 -0.51 -0.92 0.00 0.00 175.35 174.61 2k5h s LEU 90 N -3.29 3.71 -0.46 3.17 1.43 0.68 -1.55 118.68 122.38 2k5h s LEU 90 Ca 0.27 -0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 2k5h s LEU 90 Cb -0.05 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.91 2k5h s LEU 90 CO 0.13 0.22 0.46 -0.69 0.23 0.00 0.00 176.35 176.70 2k5h s VAL 91 N -1.27 5.09 0.14 -1.59 1.01 0.66 -0.58 120.40 123.86 2k5h s VAL 91 Ca 0.25 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2k5h s VAL 91 Cb -0.12 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2k5h s VAL 91 CO 0.17 -0.55 -0.18 0.68 0.00 0.00 0.00 175.10 175.22 2k5h s VAL 92 N 2.09 1.72 0.07 2.92 -7.23 -0.81 -0.61 120.40 118.55 2k5h s VAL 92 Ca 0.10 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 2k5h s VAL 92 Cb -0.20 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2k5h s VAL 92 CO 0.11 -0.25 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.97 2k5h s GLU 93 N -2.51 0.68 0.20 4.82 2.02 -0.91 -4.29 118.70 118.70 2k5h s GLU 93 Ca 0.12 -1.05 -0.24 0.00 0.02 0.00 0.00 54.97 53.82 2k5h s GLU 93 Cb -0.07 -0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.83 2k5h s GLU 93 CO 0.05 0.02 0.79 0.21 0.02 0.00 0.00 175.26 176.35 2k5h s LYS 94 N -2.72 4.52 0.55 1.61 2.20 -1.26 -0.29 119.74 124.36 2k5h s LYS 94 Ca 0.01 1.14 -0.21 0.00 -0.36 0.00 0.00 55.97 56.54 2k5h s LYS 94 Cb -0.02 -3.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 2k5h s LYS 94 CO -0.02 0.51 1.29 1.28 -0.36 0.00 0.00 175.35 178.04 2k5h n LEU 95 N 1.31 5.19 -4.83 5.43 4.32 0.23 -4.86 117.00 123.78 2k5h n LEU 95 Ca -0.04 0.95 -0.37 0.00 -0.02 0.00 0.00 56.01 56.54 2k5h n LEU 95 Cb 0.49 -1.54 -0.07 0.00 -1.62 0.00 0.00 43.42 40.68 2k5h n LEU 95 CO 0.46 -0.80 -0.13 -1.83 -1.22 0.00 0.00 177.39 173.87 2k5h s GLU 96 N -2.85 3.72 0.87 3.23 1.03 -1.26 -4.94 118.70 118.52 2k5h s GLU 96 Ca 0.72 -0.07 -0.09 0.00 0.03 0.00 0.00 54.97 55.57 2k5h s GLU 96 Cb -0.42 -3.26 0.19 0.00 -0.80 0.00 0.00 34.13 29.83 2k5h s GLU 96 CO 0.49 0.62 1.19 -1.21 -1.33 0.00 0.00 175.26 175.02 2k5h s GLU 97 N -0.61 0.93 -0.03 -4.83 8.01 -1.26 -5.11 118.70 115.79 2k5h s GLU 97 Ca 0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 54.97 54.24 2k5h s GLU 97 Cb -0.12 -2.07 0.03 0.00 -4.31 0.00 0.00 34.13 27.66 2k5h s GLU 97 CO 0.04 -2.09 0.05 1.14 0.01 0.00 0.00 175.26 174.41 2k5h s GLN 98 N -5.58 -0.06 -0.96 1.61 0.00 -1.26 -5.09 119.66 108.32 2k5h s GLN 98 Ca 0.72 0.30 -0.17 0.00 -0.00 0.00 0.00 55.36 56.21 2k5h s GLN 98 Cb -0.03 -0.38 0.15 0.00 0.00 0.00 0.00 33.01 32.75 2k5h s GLN 98 CO 0.50 -0.25 1.11 -1.59 0.00 0.00 0.00 175.29 175.05 2k5h s LYS 99 N 1.66 3.68 -1.33 9.60 0.00 -1.26 -4.94 119.74 127.16 2k5h s LYS 99 Ca -0.02 -2.02 -0.13 0.00 0.00 0.00 0.00 55.97 53.80 2k5h s LYS 99 Cb -0.12 -4.85 0.10 0.00 0.00 0.00 0.00 37.83 32.96 2k5h s LYS 99 CO -0.03 -1.68 1.89 0.41 0.00 0.00 0.00 175.35 175.94 2k5h n GLY 100 N 4.99 3.96 0.00 0.59 0.00 -1.26 -5.39 105.19 108.08 2k5h n GLY 100 Ca 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76