#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 4.42 0.16 -5.12 0.00 -1.26 -4.96 105.19 98.43 2k5h n GLY 2 Ca 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 46.02 44.12 2k5h n GLY 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k5h n SER 3 N 4.99 0.01 -4.58 1.61 3.41 -1.26 -4.86 113.62 112.95 2k5h n SER 3 Ca 0.44 -1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 57.80 2k5h n SER 3 Cb 0.38 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 2k5h n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k5h s SER 4 N -1.20 4.38 0.00 4.04 0.01 0.11 -4.26 113.70 116.78 2k5h s SER 4 Ca 0.03 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2k5h s SER 4 Cb -0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2k5h s SER 4 CO 0.02 -3.75 0.29 1.41 0.41 0.00 0.00 173.24 171.63 2k5h n HIS 5 N 16.54 0.00 0.00 2.43 8.25 -1.26 -4.58 115.22 136.60 2k5h n HIS 5 Ca 0.43 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2k5h n HIS 5 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2k5h n HIS 5 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5h n HIS 6 N -0.02 0.00 -4.20 4.41 8.25 -1.26 -5.11 115.22 117.29 2k5h n HIS 6 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2k5h n HIS 6 Cb 0.14 0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.42 2k5h n HIS 6 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5h s HIS 7 N -0.68 2.88 0.21 4.41 -0.00 -1.26 -4.99 115.29 115.86 2k5h s HIS 7 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 55.06 54.92 2k5h s HIS 7 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 32.58 31.24 2k5h s HIS 7 CO 0.00 0.55 0.00 1.58 -0.00 0.00 0.00 174.74 176.87 2k5h n HIS 8 N -0.56 -2.48 -3.62 0.38 -0.00 -1.26 -4.56 115.22 103.12 2k5h n HIS 8 Ca -0.08 1.29 -0.37 0.00 0.46 0.00 0.00 57.72 59.02 2k5h n HIS 8 Cb 0.57 -2.61 -0.07 0.00 -0.12 0.00 0.00 29.99 27.76 2k5h n HIS 8 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5h s HIS 9 N -1.64 3.56 0.41 1.57 -3.43 -1.26 -4.51 115.29 109.99 2k5h s HIS 9 Ca 0.00 0.67 -0.26 0.00 -0.80 0.00 0.00 55.06 54.67 2k5h s HIS 9 Cb 0.00 -2.22 -0.09 0.00 -1.43 0.00 0.00 32.58 28.84 2k5h s HIS 9 CO 0.00 0.47 1.32 -3.38 -2.00 0.00 0.00 174.74 171.15 2k5h s HIS 10 N -0.31 2.78 0.01 0.38 -3.43 -1.26 -4.89 115.29 108.57 2k5h s HIS 10 Ca 0.18 1.38 -0.32 0.00 -0.80 0.00 0.00 55.06 55.50 2k5h s HIS 10 Cb -0.14 -3.71 -0.11 0.00 -1.43 0.00 0.00 32.58 27.20 2k5h s HIS 10 CO 0.06 -2.20 1.90 0.43 -2.00 0.00 0.00 174.74 172.92 2k5h n SER 11 N 0.14 3.80 -4.71 7.38 7.64 -1.26 -4.98 113.62 121.63 2k5h n SER 11 Ca 0.04 0.95 -0.30 0.00 1.01 0.00 0.00 58.87 60.57 2k5h n SER 11 Cb 0.43 -1.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.09 2k5h n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k5h s SER 12 N 3.85 5.17 -0.97 6.43 0.01 -1.26 -5.02 113.70 121.89 2k5h s SER 12 Ca 0.89 -0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.97 2k5h s SER 12 Cb -0.56 -1.28 0.05 0.00 0.21 0.00 0.00 66.02 64.44 2k5h s SER 12 CO 0.45 0.18 2.67 0.61 0.41 0.00 0.00 173.24 177.56 2k5h n GLY 13 N 0.55 4.66 3.16 3.44 0.00 -1.26 -4.89 105.19 110.86 2k5h n GLY 13 Ca -0.10 -1.87 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.81 0.80 -0.08 1.61 1.81 -1.26 -5.08 118.95 115.94 2k5h s ARG 14 Ca 0.58 -0.94 -0.09 0.00 -1.72 0.00 0.00 55.73 53.57 2k5h s ARG 14 Cb 0.26 -0.79 -0.06 0.00 -0.45 0.00 0.00 34.95 33.91 2k5h s ARG 14 CO -0.12 0.17 0.32 0.93 -0.68 0.00 0.00 175.30 175.92 2k5h h GLU 15 N 4.31 -0.15 -6.24 3.54 3.07 -2.08 -3.46 114.58 113.58 2k5h h GLU 15 Ca -0.40 0.01 -0.62 0.00 -0.50 0.00 0.00 59.36 57.84 2k5h h GLU 15 Cb 1.19 0.03 -0.09 0.00 -0.84 0.00 0.00 28.75 29.04 2k5h h GLU 15 CO 0.40 0.04 -0.61 1.21 -1.40 0.00 0.00 179.01 178.65 2k5h s ASN 16 N -5.46 5.35 -0.59 1.42 2.47 -1.26 -5.06 114.94 111.81 2k5h s ASN 16 Ca -0.05 -0.11 -0.26 0.00 0.42 0.00 0.00 52.86 52.86 2k5h s ASN 16 Cb -0.00 -1.37 0.04 0.00 -1.45 0.00 0.00 41.25 38.47 2k5h s ASN 16 CO 0.18 0.14 1.09 -0.76 -3.72 0.00 0.00 177.10 174.03 2k5h s LEU 17 N -2.61 3.72 0.00 3.21 1.43 -1.26 -4.85 118.68 118.33 2k5h s LEU 17 Ca 0.29 -0.20 0.15 0.00 -1.03 0.00 0.00 54.13 53.34 2k5h s LEU 17 Cb -0.11 -2.92 0.66 0.00 0.03 0.00 0.00 46.19 43.85 2k5h s LEU 17 CO 0.21 -1.42 1.46 0.00 0.23 0.00 0.00 176.35 176.83 2k5h n TYR 18 N 8.13 0.17 -3.69 0.29 4.11 -1.26 -4.69 117.16 120.22 2k5h n TYR 18 Ca 0.04 -0.08 -0.22 0.00 -0.00 0.00 0.00 57.90 57.64 2k5h n TYR 18 Cb 0.48 0.00 -0.18 0.00 -0.00 0.00 0.00 39.34 39.65 2k5h n TYR 18 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 2k5h s PHE 19 N -1.83 0.27 -0.63 -3.48 5.36 -1.26 -5.10 117.98 111.30 2k5h s PHE 19 Ca 0.25 0.00 -0.16 0.00 -0.96 0.00 0.00 56.93 56.05 2k5h s PHE 19 Cb 0.13 -0.62 0.14 0.00 -0.34 0.00 0.00 43.02 42.33 2k5h s PHE 19 CO 0.19 -0.30 0.64 -1.14 -1.46 0.00 0.00 175.22 173.15 2k5h s GLN 20 N 2.10 3.17 -1.15 10.12 0.74 -1.26 -4.96 119.66 128.41 2k5h s GLN 20 Ca 0.04 -1.79 -0.06 0.00 0.05 0.00 0.00 55.36 53.61 2k5h s GLN 20 Cb -0.13 -4.35 0.26 0.00 1.10 0.00 0.00 33.01 29.89 2k5h s GLN 20 CO -0.05 -1.39 1.64 0.41 -0.55 0.00 0.00 175.29 175.35 2k5h n GLY 21 N 4.98 5.06 3.18 2.59 0.00 -1.26 -4.95 105.19 114.80 2k5h n GLY 21 Ca -0.05 -2.47 -0.35 0.00 0.00 0.00 0.00 46.02 43.15 2k5h n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5h s HIS 22 N -1.73 3.28 0.11 1.61 3.76 -1.26 -4.98 115.29 116.07 2k5h s HIS 22 Ca 0.34 -1.84 -0.14 0.00 -0.15 0.00 0.00 55.06 53.27 2k5h s HIS 22 Cb 0.07 -2.17 -0.06 0.00 1.11 0.00 0.00 32.58 31.53 2k5h s HIS 22 CO 0.07 -0.80 1.47 0.00 -0.85 0.00 0.00 174.74 174.62 2k5h h MET 23 N 8.03 0.73 -4.79 1.40 -0.00 -2.06 -3.46 114.93 114.77 2k5h h MET 23 Ca -0.21 -0.34 -0.35 0.00 -0.00 0.00 0.00 59.70 58.81 2k5h h MET 23 Cb 1.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.62 2k5h h MET 23 CO 0.55 0.95 -0.50 0.00 -0.00 0.00 0.00 176.91 177.90 2k5h n ALA 24 N -2.47 -0.96 -2.75 -3.00 0.00 -1.26 -4.86 120.51 105.20 2k5h n ALA 24 Ca -0.03 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2k5h n ALA 24 Cb 0.42 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 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 -2.90 3.19 -0.03 0.00 0.00 -1.26 -4.89 121.76 115.88 2k5h s ALA 25 Ca 0.27 -2.67 -0.29 0.00 0.00 0.00 0.00 51.96 49.27 2k5h s ALA 25 Cb -0.14 -4.32 0.10 0.00 0.00 0.00 0.00 23.12 18.77 2k5h s ALA 25 CO 0.33 -3.24 0.89 0.50 0.00 0.00 0.00 175.76 174.24 2k5h s ARG 26 N 3.60 0.80 0.73 0.00 3.52 -1.26 -5.17 118.95 121.18 2k5h s ARG 26 Ca 0.42 -0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.70 2k5h s ARG 26 Cb -0.02 0.37 0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2k5h s ARG 26 CO -0.06 -0.33 1.10 0.96 -0.81 0.00 0.00 175.30 176.16 2k5h s ILE 27 N -2.70 3.27 0.03 4.11 -5.25 -1.26 -5.02 121.20 114.38 2k5h s ILE 27 Ca 0.03 0.41 -0.30 0.00 -0.99 0.00 0.00 60.65 59.80 2k5h s ILE 27 Cb -0.01 -3.35 -0.04 0.00 2.95 0.00 0.00 42.46 42.01 2k5h s ILE 27 CO -0.06 -0.54 1.02 -0.89 -1.79 0.00 0.00 174.94 172.67 2k5h s THR 28 N -3.33 4.65 0.00 8.37 2.01 -1.26 -5.05 115.64 121.03 2k5h s THR 28 Ca 0.59 1.95 0.00 0.00 0.31 0.00 0.00 61.69 64.54 2k5h s THR 28 Cb -0.12 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2k5h s THR 28 CO 0.52 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 2k5h n GLY 29 N 2.81 -0.23 3.12 4.40 0.00 -1.26 -5.00 105.19 109.04 2k5h n GLY 29 Ca 0.06 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 2k5h n GLY 29 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 30 N 0.00 2.95 -1.23 1.61 0.41 -1.26 -4.99 118.70 116.20 2k5h s GLU 30 Ca 0.00 -2.83 -0.07 0.00 -0.41 0.00 0.00 54.97 51.67 2k5h s GLU 30 Cb 0.00 -3.89 0.20 0.00 -1.78 0.00 0.00 34.13 28.66 2k5h s GLU 30 CO 0.00 -1.22 1.91 -0.35 -0.49 0.00 0.00 175.26 175.11 2k5h n PRO 31 N 3.06 4.19 0.10 0.39 -0.04 -1.26 -4.59 135.00 136.85 2k5h n PRO 31 Ca 0.14 -3.83 0.07 0.00 -0.04 0.00 0.00 63.50 59.84 2k5h n PRO 31 Cb 0.38 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2k5h n PRO 31 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k5h h SER 32 N 5.28 0.00 -3.52 3.54 0.02 -2.06 -3.39 113.55 113.42 2k5h h SER 32 Ca 0.44 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.72 2k5h h SER 32 Cb 0.52 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.68 2k5h h SER 32 CO 1.50 0.23 -0.37 -0.75 -1.14 0.00 0.00 176.83 176.29 2k5h s LYS 33 N -3.17 2.72 -0.36 3.45 2.20 -1.26 -5.06 119.74 118.26 2k5h s LYS 33 Ca 0.00 -3.11 -0.14 0.00 -0.36 0.00 0.00 55.97 52.36 2k5h s LYS 33 Cb 0.08 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2k5h s LYS 33 CO 0.78 -1.24 0.31 0.21 -0.36 0.00 0.00 175.35 175.05 2k5h s LYS 34 N -1.06 3.41 -0.20 4.03 2.20 -1.26 -5.04 119.74 121.83 2k5h s LYS 34 Ca 0.24 -0.62 -0.16 0.00 -0.36 0.00 0.00 55.97 55.06 2k5h s LYS 34 Cb -0.11 -3.84 0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2k5h s LYS 34 CO -0.11 -0.55 0.52 0.00 -0.36 0.00 0.00 175.35 174.85 2k5h s ALA 35 N 1.86 -1.31 -0.01 3.13 0.00 -1.26 -5.16 121.76 119.01 2k5h s ALA 35 Ca 0.09 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2k5h s ALA 35 Cb -0.17 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.02 2k5h s ALA 35 CO 0.11 -0.27 -0.01 0.54 0.00 0.00 0.00 175.76 176.14 2k5h s VAL 36 N 0.65 0.12 -0.61 0.00 0.11 -1.26 -5.04 120.40 114.38 2k5h s VAL 36 Ca -0.03 -0.01 0.22 0.00 -2.93 0.00 0.00 61.98 59.23 2k5h s VAL 36 Cb -0.05 -0.15 -0.23 0.00 -1.53 0.00 0.00 36.38 34.42 2k5h s VAL 36 CO -0.04 0.07 0.81 -1.20 -3.33 0.00 0.00 175.10 171.40 2k5h n SER 37 N 3.38 0.59 0.00 3.54 7.64 -1.26 -4.97 113.62 122.55 2k5h n SER 37 Ca -0.17 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2k5h n SER 37 Cb 0.57 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 2k5h n SER 37 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k5h n ASP 38 N -1.84 0.00 -0.04 6.43 9.92 -1.26 -4.54 116.55 125.21 2k5h n ASP 38 Ca 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 2k5h n ASP 38 Cb 0.43 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2k5h n ASP 38 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2k5h n ARG 39 N 0.00 0.65 0.01 -1.24 1.85 -1.26 -1.38 116.66 115.29 2k5h n ARG 39 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.96 2k5h n ARG 39 Cb 0.00 -1.03 0.03 0.00 -1.05 0.00 0.00 32.46 30.41 2k5h n ARG 39 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2k5h n LEU 40 N -0.44 0.69 -4.62 2.89 -0.00 -1.26 -4.76 117.00 109.50 2k5h n LEU 40 Ca 0.00 -0.18 -0.43 0.00 -0.00 0.00 0.00 56.01 55.40 2k5h n LEU 40 Cb 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 2k5h n LEU 40 CO 0.00 0.14 1.36 -0.63 -0.00 0.00 0.00 177.39 178.26 2k5h s ILE 41 N -3.09 3.72 0.00 1.47 -1.09 -0.48 -1.57 121.20 120.16 2k5h s ILE 41 Ca 0.07 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.28 2k5h s ILE 41 Cb 0.16 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 2k5h s ILE 41 CO 0.80 -0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 2k5h n GLY 42 N 4.80 0.73 3.83 6.18 0.00 0.12 -5.03 105.19 115.83 2k5h n GLY 42 Ca 0.19 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 2.39 0.24 1.61 1.81 -0.61 -4.89 118.95 118.80 2k5h s ARG 43 Ca 0.00 -1.70 -0.14 0.00 -1.72 0.00 0.00 55.73 52.16 2k5h s ARG 43 Cb 0.00 -2.20 -0.08 0.00 -0.45 0.00 0.00 34.95 32.22 2k5h s ARG 43 CO 0.00 -0.21 0.65 0.15 -0.68 0.00 0.00 175.30 175.21 2k5h s LYS 44 N -4.06 4.00 -0.04 3.54 1.02 -1.26 -1.61 119.74 121.33 2k5h s LYS 44 Ca 0.44 0.58 -0.03 0.00 0.02 0.00 0.00 55.97 56.98 2k5h s LYS 44 Cb -0.00 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2k5h s LYS 44 CO 0.25 0.31 0.10 0.20 -0.92 0.00 0.00 175.35 175.29 2k5h s GLY 45 N -2.05 -0.03 0.04 -3.33 0.00 0.17 -4.27 107.32 97.85 2k5h s GLY 45 Ca 0.47 0.38 -0.11 0.00 0.00 0.00 0.00 44.72 45.46 2k5h s GLY 45 CO 0.19 0.51 0.39 0.54 0.00 0.00 0.00 173.10 174.73 2k5h s VAL 46 N 0.51 5.10 -0.32 1.40 0.11 -1.04 0.30 120.40 126.46 2k5h s VAL 46 Ca -0.04 0.56 -0.27 0.00 -2.93 0.00 0.00 61.98 59.30 2k5h s VAL 46 Cb -0.05 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 2k5h s VAL 46 CO -0.02 0.39 0.95 -0.69 -3.33 0.00 0.00 175.10 172.40 2k5h s VAL 47 N -1.28 4.63 -0.16 2.04 1.01 0.38 -0.34 120.40 126.68 2k5h s VAL 47 Ca 0.29 1.47 0.12 0.00 0.00 0.00 0.00 61.98 63.86 2k5h s VAL 47 Cb -0.15 -4.30 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 2k5h s VAL 47 CO 0.16 -0.39 0.21 0.23 0.00 0.00 0.00 175.10 175.31 2k5h n MET 48 N 6.60 0.67 -4.57 2.72 2.81 0.16 -0.74 117.12 124.77 2k5h n MET 48 Ca 0.08 0.12 -0.22 0.00 -1.81 0.00 0.00 57.70 55.88 2k5h n MET 48 Cb 0.48 -1.61 -0.15 0.00 -0.71 0.00 0.00 33.22 31.23 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 -2.53 1.07 0.04 0.03 2.56 -0.46 -4.87 118.70 114.54 2k5h s GLU 49 Ca -0.13 -0.53 -0.33 0.00 0.00 0.00 0.00 54.97 53.97 2k5h s GLU 49 Cb 0.07 -1.04 -0.12 0.00 2.00 0.00 0.00 34.13 35.04 2k5h s GLU 49 CO 0.79 0.28 1.79 0.00 -0.56 0.00 0.00 175.26 177.56 2k5h n ALA 50 N 2.60 1.32 -2.60 6.30 0.00 -1.26 -2.24 120.51 124.63 2k5h n ALA 50 Ca -0.15 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 2k5h n ALA 50 Cb 0.55 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 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 2.86 4.87 0.16 0.00 1.01 0.19 -3.76 121.20 126.54 2k5h s ILE 51 Ca 0.86 0.89 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2k5h s ILE 51 Cb -0.63 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 37.72 2k5h s ILE 51 CO 0.44 -0.23 0.05 -0.94 0.00 0.00 0.00 174.94 174.26 2k5h s SER 52 N 1.68 0.65 0.00 3.58 1.04 -0.76 -0.51 113.70 119.38 2k5h s SER 52 Ca 0.27 -1.22 0.18 0.00 0.48 0.00 0.00 55.95 55.66 2k5h s SER 52 Cb -0.14 0.24 1.04 0.00 0.10 0.00 0.00 66.02 67.25 2k5h s SER 52 CO 0.13 -0.69 1.68 -0.81 0.98 0.00 0.00 173.24 174.53 2k5h n PRO 53 N -0.18 1.08 -0.11 4.02 -0.04 -1.26 -3.13 135.00 135.38 2k5h n PRO 53 Ca -0.05 -0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 2k5h n PRO 53 Cb 0.64 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.66 0.66 -3.70 0.54 6.02 -1.26 -4.98 117.38 114.00 2k5h n GLN 54 Ca 0.14 0.18 -0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2k5h n GLN 54 Cb 0.09 -1.55 -0.12 0.00 1.02 0.00 0.00 30.24 29.69 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 -6.68 -0.32 0.59 1.08 2.47 -1.18 -5.15 114.94 105.75 2k5h s ASN 55 Ca -0.33 0.75 -0.20 0.00 0.42 0.00 0.00 52.86 53.49 2k5h s ASN 55 Cb 0.09 0.70 -0.03 0.00 -1.45 0.00 0.00 41.25 40.56 2k5h s ASN 55 CO 0.61 -0.19 1.32 -1.20 -3.72 0.00 0.00 177.10 173.92 2k5h n SER 56 N 4.48 2.39 -4.90 -4.21 7.64 -1.25 -1.82 113.62 115.95 2k5h n SER 56 Ca -0.21 0.91 -0.21 0.00 1.01 0.00 0.00 58.87 60.38 2k5h n SER 56 Cb 0.53 -1.56 0.07 0.00 -1.01 0.00 0.00 64.21 62.24 2k5h n SER 56 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k5h s GLY 57 N -1.11 1.79 -0.14 0.23 0.00 -0.70 -4.78 107.32 102.61 2k5h s GLY 57 Ca 0.76 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 43.68 2k5h s GLY 57 CO 0.45 -1.38 -0.17 1.08 0.00 0.00 0.00 173.10 173.08 2k5h s LEU 58 N -4.80 2.44 0.01 0.66 1.43 -0.95 -0.25 118.68 117.22 2k5h s LEU 58 Ca 0.62 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2k5h s LEU 58 Cb -0.07 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2k5h s LEU 58 CO 0.40 0.12 -0.24 0.68 0.23 0.00 0.00 176.35 177.54 2k5h s VAL 59 N 0.60 1.89 -0.46 -1.59 -7.23 0.48 0.37 120.40 114.47 2k5h s VAL 59 Ca -0.10 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 2k5h s VAL 59 Cb -0.16 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2k5h s VAL 59 CO 0.03 0.43 0.42 -0.75 -0.31 0.00 0.00 175.10 174.92 2k5h s LYS 60 N -0.83 3.01 -0.16 4.82 2.20 0.54 0.34 119.74 129.65 2k5h s LYS 60 Ca 0.09 -1.13 -0.00 0.00 -0.36 0.00 0.00 55.97 54.57 2k5h s LYS 60 Cb -0.09 -4.07 -0.00 0.00 -1.51 0.00 0.00 37.83 32.15 2k5h s LYS 60 CO 0.00 -0.98 -0.14 0.08 -0.36 0.00 0.00 175.35 173.95 2k5h s VAL 61 N 1.87 2.72 0.00 4.02 1.01 0.18 -2.50 120.40 127.69 2k5h s VAL 61 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2k5h s VAL 61 Cb -0.21 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2k5h s VAL 61 CO 0.09 0.51 0.00 -0.67 0.00 0.00 0.00 175.10 175.03 2k5h n ASP 62 N 4.19 0.00 0.00 3.32 -0.08 -1.26 -1.54 116.55 121.18 2k5h n ASP 62 Ca -0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2k5h n ASP 62 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 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 0.28 3.62 0.27 0.00 -1.26 -5.11 105.19 103.00 2k5h n GLY 63 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.26 -0.36 1.61 0.41 -0.59 -5.10 118.70 116.93 2k5h s GLU 64 Ca 0.00 -1.09 -0.13 0.00 -0.41 0.00 0.00 54.97 53.34 2k5h s GLU 64 Cb 0.00 -2.32 -0.01 0.00 -1.78 0.00 0.00 34.13 30.02 2k5h s GLU 64 CO 0.00 0.48 0.26 0.99 -0.49 0.00 0.00 175.26 176.49 2k5h s THR 65 N -1.51 5.28 0.32 3.63 2.01 -1.26 -0.65 115.64 123.45 2k5h s THR 65 Ca 0.25 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.02 2k5h s THR 65 Cb -0.10 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2k5h s THR 65 CO 0.16 -0.08 0.22 0.26 -0.69 0.00 0.00 174.62 174.49 2k5h s TRP 66 N 1.72 2.87 0.10 4.92 0.52 0.15 -4.89 118.94 124.34 2k5h s TRP 66 Ca 0.06 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 55.75 2k5h s TRP 66 Cb -0.18 -1.66 -0.07 0.00 -1.15 0.00 0.00 33.47 30.42 2k5h s TRP 66 CO 0.10 0.30 0.51 1.03 0.02 0.00 0.00 176.95 178.92 2k5h s ARG 67 N -3.91 3.97 0.03 4.98 3.00 -1.26 -0.39 118.95 125.37 2k5h s ARG 67 Ca 0.38 0.46 0.00 0.00 0.00 0.00 0.00 55.73 56.58 2k5h s ARG 67 Cb -0.05 -3.03 -0.03 0.00 0.00 0.00 0.00 34.95 31.84 2k5h s ARG 67 CO 0.25 0.55 -0.04 0.00 0.00 0.00 0.00 175.30 176.06 2k5h s ALA 68 N -1.34 0.27 0.07 2.13 0.00 0.65 0.13 121.76 123.67 2k5h s ALA 68 Ca 0.34 -0.75 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2k5h s ALA 68 Cb -0.16 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2k5h s ALA 68 CO 0.18 -0.19 0.11 0.99 0.00 0.00 0.00 175.76 176.85 2k5h s THR 69 N -2.00 0.17 0.00 0.00 2.01 0.38 -1.73 115.64 114.47 2k5h s THR 69 Ca -0.10 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.51 2k5h s THR 69 Cb -0.06 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.07 2k5h s THR 69 CO -0.03 -0.77 0.18 -0.24 -0.69 0.00 0.00 174.62 173.08 2k5h n SER 70 N 0.05 0.00 0.00 3.53 2.88 -1.26 -2.04 113.62 116.78 2k5h n SER 70 Ca -0.15 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.39 2k5h n SER 70 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2k5h n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5h n GLY 71 N 0.00 1.09 3.91 0.46 0.00 -1.26 -4.90 105.19 104.48 2k5h n GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 2.55 0.02 2.61 2.01 -1.26 -4.63 115.64 116.94 2k5h s THR 72 Ca 0.00 -1.29 -0.24 0.00 0.31 0.00 0.00 61.69 60.47 2k5h s THR 72 Cb 0.00 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 2k5h s THR 72 CO 0.00 0.00 0.72 0.54 -0.69 0.00 0.00 174.62 175.19 2k5h s VAL 73 N -2.50 4.80 -0.06 3.82 0.11 -1.26 -4.60 120.40 120.71 2k5h s VAL 73 Ca 0.48 1.52 0.03 0.00 -2.93 0.00 0.00 61.98 61.08 2k5h s VAL 73 Cb -0.04 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2k5h s VAL 73 CO 0.29 0.36 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.53 2k5h s LEU 74 N 0.00 1.71 0.76 2.54 1.43 0.33 -5.01 118.68 120.44 2k5h s LEU 74 Ca 0.37 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2k5h s LEU 74 Cb -0.20 -0.83 0.15 0.00 0.03 0.00 0.00 46.19 45.34 2k5h s LEU 74 CO 0.21 0.06 1.05 -0.62 0.23 0.00 0.00 176.35 177.28 2k5h s ASP 75 N 0.51 4.11 0.17 2.29 2.15 -1.26 -0.63 116.67 124.00 2k5h s ASP 75 Ca -0.12 -0.37 -0.29 0.00 0.43 0.00 0.00 52.55 52.20 2k5h s ASP 75 Cb -0.14 0.09 -0.07 0.00 -0.30 0.00 0.00 42.92 42.49 2k5h s ASP 75 CO 0.03 -2.03 0.91 -0.69 -0.17 0.00 0.00 175.17 173.22 2k5h s VAL 76 N -3.25 4.33 0.00 1.11 1.01 -1.26 -3.37 120.40 118.97 2k5h s VAL 76 Ca 0.68 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.65 2k5h s VAL 76 Cb -0.04 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 2k5h s VAL 76 CO 0.46 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.59 2k5h n GLY 77 N 1.86 0.47 3.77 4.51 0.00 0.08 -5.01 105.19 110.87 2k5h n GLY 77 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.87 1.79 -0.17 1.61 0.41 -1.22 -4.74 118.70 115.53 2k5h s GLU 78 Ca 0.00 0.74 0.01 0.00 -0.41 0.00 0.00 54.97 55.30 2k5h s GLU 78 Cb 0.00 -1.88 0.01 0.00 -1.78 0.00 0.00 34.13 30.48 2k5h s GLU 78 CO 0.00 -1.85 -0.17 -1.21 -0.49 0.00 0.00 175.26 171.54 2k5h s GLU 79 N -5.06 3.12 0.21 1.61 0.41 -1.26 -0.47 118.70 117.26 2k5h s GLU 79 Ca 0.62 -0.79 0.07 0.00 -0.41 0.00 0.00 54.97 54.46 2k5h s GLU 79 Cb -0.16 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.54 2k5h s GLU 79 CO 0.55 -0.08 -0.12 0.14 -0.49 0.00 0.00 175.26 175.26 2k5h s VAL 80 N 1.02 1.67 -0.12 2.63 -7.23 0.15 -1.91 120.40 116.60 2k5h s VAL 80 Ca -0.02 -2.19 -0.00 0.00 -1.81 0.00 0.00 61.98 57.96 2k5h s VAL 80 Cb -0.15 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2k5h s VAL 80 CO -0.05 -0.55 -0.10 -0.44 -0.31 0.00 0.00 175.10 173.65 2k5h s SER 81 N -3.33 4.26 -0.48 4.85 0.01 0.15 0.41 113.70 119.57 2k5h s SER 81 Ca 0.24 -0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.03 2k5h s SER 81 Cb 0.00 -1.52 0.03 0.00 0.21 0.00 0.00 66.02 64.74 2k5h s SER 81 CO 0.07 0.21 0.78 -0.69 0.41 0.00 0.00 173.24 174.02 2k5h s VAL 82 N 0.12 4.64 -0.19 3.43 1.01 -0.63 -1.57 120.40 127.21 2k5h s VAL 82 Ca -0.05 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2k5h s VAL 82 Cb -0.14 -4.35 -0.21 0.00 0.00 0.00 0.00 36.38 31.67 2k5h s VAL 82 CO 0.04 -0.80 0.06 0.29 0.00 0.00 0.00 175.10 174.68 2k5h n LYS 83 N 6.75 0.69 -4.11 2.72 5.02 -0.99 0.16 118.16 128.41 2k5h n LYS 83 Ca 0.00 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.35 2k5h n LYS 83 Cb 0.48 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5h s ALA 84 N -2.53 0.53 -0.07 7.82 0.00 -1.15 -4.69 121.76 121.67 2k5h s ALA 84 Ca -0.25 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.41 2k5h s ALA 84 Cb 0.08 1.24 0.00 0.00 0.00 0.00 0.00 23.12 24.44 2k5h s ALA 84 CO 0.70 -0.72 -0.17 0.42 0.00 0.00 0.00 175.76 175.99 2k5h s ILE 85 N -4.02 1.44 -0.44 0.00 1.01 -1.26 -0.07 121.20 117.86 2k5h s ILE 85 Ca 0.31 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2k5h s ILE 85 Cb 0.03 -1.27 0.12 0.00 0.01 0.00 0.00 42.46 41.35 2k5h s ILE 85 CO 0.11 0.42 0.16 -0.70 0.00 0.00 0.00 174.94 174.94 2k5h s GLU 86 N 0.38 1.74 6.51 2.79 -6.30 0.12 -4.90 118.70 119.03 2k5h s GLU 86 Ca -0.12 -2.28 0.00 0.00 -2.50 0.00 0.00 54.97 50.07 2k5h s GLU 86 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 34.13 30.73 2k5h s GLU 86 CO 0.04 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.70 2k5h n GLY 87 N 3.63 1.90 0.66 -1.50 0.00 -1.26 -1.77 105.19 106.84 2k5h n GLY 87 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.01 2k5h n GLY 87 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k5h n VAL 88 N 0.00 0.13 -4.15 1.61 3.14 -1.26 -4.98 118.33 112.83 2k5h n VAL 88 Ca 0.00 -0.57 -0.28 0.00 -2.96 0.00 0.00 64.34 60.54 2k5h n VAL 88 Cb 0.00 1.22 -0.07 0.00 -1.06 0.00 0.00 33.84 33.93 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2k5h s LYS 89 N -1.26 2.58 -0.01 1.45 1.02 -0.73 -4.26 119.74 118.54 2k5h s LYS 89 Ca 0.20 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 2k5h s LYS 89 Cb 0.13 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2k5h s LYS 89 CO 0.20 0.49 0.16 -0.51 -0.92 0.00 0.00 175.35 174.77 2k5h s LEU 90 N -2.78 4.28 -0.56 3.17 1.43 0.12 0.12 118.68 124.47 2k5h s LEU 90 Ca 0.28 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.51 2k5h s LEU 90 Cb -0.10 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.68 2k5h s LEU 90 CO 0.20 0.26 0.59 -0.69 0.23 0.00 0.00 176.35 176.94 2k5h s VAL 91 N -1.30 5.03 0.21 -1.59 1.01 0.90 -0.47 120.40 124.19 2k5h s VAL 91 Ca 0.27 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 61.11 2k5h s VAL 91 Cb -0.12 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2k5h s VAL 91 CO 0.18 -0.96 -0.03 0.68 0.00 0.00 0.00 175.10 174.97 2k5h s VAL 92 N 2.10 3.48 0.15 2.92 -7.23 -0.86 -2.34 120.40 118.62 2k5h s VAL 92 Ca 0.07 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.62 2k5h s VAL 92 Cb -0.27 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2k5h s VAL 92 CO 0.05 -0.21 -0.12 -1.61 -0.31 0.00 0.00 175.10 172.90 2k5h s GLU 93 N -3.20 1.08 0.36 4.82 2.02 -0.61 -4.52 118.70 118.65 2k5h s GLU 93 Ca 0.28 -1.39 -0.26 0.00 0.02 0.00 0.00 54.97 53.62 2k5h s GLU 93 Cb -0.08 -0.78 -0.09 0.00 0.10 0.00 0.00 34.13 33.28 2k5h s GLU 93 CO 0.18 0.12 1.12 0.21 0.02 0.00 0.00 175.26 176.91 2k5h s LYS 94 N -3.35 4.30 0.37 1.61 2.20 -1.26 0.29 119.74 123.90 2k5h s LYS 94 Ca 0.15 1.75 -0.26 0.00 -0.36 0.00 0.00 55.97 57.24 2k5h s LYS 94 Cb -0.01 -2.83 -0.12 0.00 -1.51 0.00 0.00 37.83 33.37 2k5h s LYS 94 CO 0.02 -0.08 1.14 1.28 -0.36 0.00 0.00 175.35 177.36 2k5h n LEU 95 N 0.44 2.99 -2.79 5.43 4.32 -0.81 -3.66 117.00 122.93 2k5h n LEU 95 Ca 0.02 1.13 -0.07 0.00 -0.02 0.00 0.00 56.01 57.08 2k5h n LEU 95 Cb 0.47 -1.41 0.01 0.00 -1.62 0.00 0.00 43.42 40.87 2k5h n LEU 95 CO 0.50 -1.01 -0.04 1.21 -1.22 0.00 0.00 177.39 176.84 2k5h n GLU 96 N 0.37 -2.50 -2.08 3.23 4.07 -1.26 -4.83 120.64 117.64 2k5h n GLU 96 Ca 0.07 2.19 -0.32 0.00 -0.06 0.00 0.00 57.16 59.04 2k5h n GLU 96 Cb 0.37 -5.53 -0.04 0.00 -0.06 0.00 0.00 31.44 26.18 2k5h n GLU 96 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2k5h s GLU 97 N -2.41 2.64 -0.09 5.31 1.03 -1.24 -4.77 118.70 119.16 2k5h s GLU 97 Ca 0.20 0.05 -0.25 0.00 0.03 0.00 0.00 54.97 55.01 2k5h s GLU 97 Cb -0.06 -4.77 -0.29 0.00 -0.80 0.00 0.00 34.13 28.22 2k5h s GLU 97 CO 0.75 -3.03 0.82 0.37 -1.33 0.00 0.00 175.26 172.84 2k5h h GLN 98 N 12.73 0.15 -6.29 -4.83 4.15 -1.89 -3.44 115.11 115.69 2k5h h GLN 98 Ca -0.06 -0.26 -0.57 0.00 0.77 0.00 0.00 58.65 58.52 2k5h h GLN 98 Cb 1.07 0.10 -0.06 0.00 0.21 0.00 0.00 27.48 28.80 2k5h h GLN 98 CO 1.22 1.13 0.84 0.15 -1.93 0.00 0.00 178.83 180.24 2k5h s LYS 99 N -2.33 4.08 0.00 1.69 3.01 -1.26 -4.94 119.74 119.99 2k5h s LYS 99 Ca -0.16 1.10 0.00 0.00 -1.01 0.00 0.00 55.97 55.89 2k5h s LYS 99 Cb -0.01 -3.73 0.00 0.00 -1.01 0.00 0.00 37.83 33.08 2k5h s LYS 99 CO 0.76 -0.88 0.00 0.41 0.51 0.00 0.00 175.35 176.15 2k5h n GLY 100 N 3.83 1.90 0.09 -3.33 0.00 -1.26 -5.19 105.19 101.22 2k5h n GLY 100 Ca 0.12 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.48 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76