#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 0.00 3.81 -5.12 0.00 -1.26 -5.05 105.19 97.58 2k5h n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5h s SER 3 N -1.67 7.02 -0.32 1.61 0.01 -1.26 -5.05 113.70 114.03 2k5h s SER 3 Ca 0.00 1.68 -0.01 0.00 1.31 0.00 0.00 55.95 58.93 2k5h s SER 3 Cb 0.00 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.81 2k5h s SER 3 CO 0.00 -0.26 0.12 -0.55 0.41 0.00 0.00 173.24 172.96 2k5h s SER 4 N -2.03 3.89 -1.30 2.44 0.15 -1.26 -5.04 113.70 110.55 2k5h s SER 4 Ca 0.58 -1.74 -0.18 0.00 0.70 0.00 0.00 55.95 55.31 2k5h s SER 4 Cb -0.12 -0.81 0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2k5h s SER 4 CO 0.16 -0.40 1.88 0.00 1.20 0.00 0.00 173.24 176.09 2k5h n HIS 5 N 4.70 4.06 -2.76 3.44 1.44 -1.26 -4.56 115.22 120.28 2k5h n HIS 5 Ca -0.00 -2.66 -0.11 0.00 -2.01 0.00 0.00 57.72 52.94 2k5h n HIS 5 Cb 0.41 -2.58 0.02 0.00 0.12 0.00 0.00 29.99 27.96 2k5h n HIS 5 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k5h n HIS 6 N 8.58 0.88 -2.88 -1.40 -0.00 -1.26 -5.09 115.22 114.05 2k5h n HIS 6 Ca 0.49 -2.95 -0.42 0.00 -0.00 0.00 0.00 57.72 54.84 2k5h n HIS 6 Cb 0.44 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.99 30.06 2k5h n HIS 6 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k5h s HIS 7 N -2.91 3.13 -0.16 1.57 -0.00 -1.26 -4.82 115.29 110.84 2k5h s HIS 7 Ca 0.29 0.75 0.03 0.00 -0.00 0.00 0.00 55.06 56.13 2k5h s HIS 7 Cb 0.44 -3.46 -0.02 0.00 -0.00 0.00 0.00 32.58 29.54 2k5h s HIS 7 CO 0.02 -0.72 0.17 -2.39 -0.00 0.00 0.00 174.74 171.81 2k5h n HIS 8 N 6.51 0.00 -3.02 0.38 -0.00 -1.26 -4.92 115.22 112.91 2k5h n HIS 8 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.34 2k5h n HIS 8 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.41 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 -1.16 3.05 0.00 -1.40 4.02 -1.26 -4.97 115.29 113.57 2k5h s HIS 9 Ca 0.01 0.17 0.00 0.00 1.02 0.00 0.00 55.06 56.26 2k5h s HIS 9 Cb 0.02 -3.48 0.00 0.00 -1.02 0.00 0.00 32.58 28.11 2k5h s HIS 9 CO 0.11 -0.88 0.00 0.72 1.02 0.00 0.00 174.74 175.71 2k5h n HIS 10 N 6.47 0.00 -3.35 1.40 -0.00 -1.26 -4.65 115.22 113.83 2k5h n HIS 10 Ca 0.01 0.00 -0.46 0.00 -0.00 0.00 0.00 57.72 57.26 2k5h n HIS 10 Cb 0.48 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 30.22 2k5h n HIS 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2k5h s SER 11 N -1.90 6.72 -0.38 0.41 1.04 -1.26 -4.92 113.70 113.41 2k5h s SER 11 Ca 0.00 -2.76 0.02 0.00 0.48 0.00 0.00 55.95 53.68 2k5h s SER 11 Cb 0.00 -2.19 0.15 0.00 0.10 0.00 0.00 66.02 64.08 2k5h s SER 11 CO 0.00 -0.54 0.26 -0.44 0.98 0.00 0.00 173.24 173.50 2k5h s SER 12 N 2.02 2.51 -0.66 7.02 0.01 -1.26 -5.04 113.70 118.29 2k5h s SER 12 Ca 0.19 -2.52 0.05 0.00 1.31 0.00 0.00 55.95 54.97 2k5h s SER 12 Cb -0.10 -0.46 0.17 0.00 0.21 0.00 0.00 66.02 65.83 2k5h s SER 12 CO -0.09 -0.26 0.46 -0.83 0.41 0.00 0.00 173.24 172.93 2k5h s GLY 13 N 0.67 2.73 -1.21 3.44 0.00 -1.26 -5.02 107.32 106.66 2k5h s GLY 13 Ca 0.23 -3.65 -0.18 0.00 0.00 0.00 0.00 44.72 41.12 2k5h s GLY 13 CO -0.06 1.17 1.59 0.50 0.00 0.00 0.00 173.10 176.30 2k5h s ARG 14 N -1.20 3.93 -0.23 2.90 0.52 -1.26 -4.96 118.95 118.66 2k5h s ARG 14 Ca 0.25 -1.98 -0.15 0.00 -0.52 0.00 0.00 55.73 53.33 2k5h s ARG 14 Cb -0.06 -5.36 -0.04 0.00 0.52 0.00 0.00 34.95 30.01 2k5h s ARG 14 CO -0.15 -2.11 0.35 -1.83 0.02 0.00 0.00 175.30 171.59 2k5h s GLU 15 N 3.64 4.11 -0.24 3.54 -1.05 -1.26 -5.04 118.70 122.40 2k5h s GLU 15 Ca 0.49 0.08 -0.04 0.00 -0.15 0.00 0.00 54.97 55.35 2k5h s GLU 15 Cb 0.01 -3.57 0.08 0.00 -0.44 0.00 0.00 34.13 30.21 2k5h s GLU 15 CO 0.02 -0.09 0.10 1.21 0.95 0.00 0.00 175.26 177.45 2k5h s ASN 16 N 1.21 3.09 0.57 0.83 3.84 -1.26 -5.14 114.94 118.08 2k5h s ASN 16 Ca 0.16 -1.03 -0.07 0.00 0.21 0.00 0.00 52.86 52.14 2k5h s ASN 16 Cb -0.15 -0.39 -0.01 0.00 -0.55 0.00 0.00 41.25 40.16 2k5h s ASN 16 CO 0.08 -0.39 0.89 -1.48 -2.79 0.00 0.00 177.10 173.41 2k5h s LEU 17 N 2.04 3.33 0.28 3.21 0.05 -1.26 -5.07 118.68 121.27 2k5h s LEU 17 Ca 0.05 0.88 -0.16 0.00 0.05 0.00 0.00 54.13 54.95 2k5h s LEU 17 Cb -0.16 -3.77 -0.09 0.00 -2.05 0.00 0.00 46.19 40.13 2k5h s LEU 17 CO -0.23 -0.92 0.73 -0.31 -0.55 0.00 0.00 176.35 175.07 2k5h s TYR 18 N -2.96 3.47 -0.18 3.48 2.02 -1.26 -5.07 117.35 116.86 2k5h s TYR 18 Ca 0.52 1.27 -0.04 0.00 -0.37 0.00 0.00 57.07 58.45 2k5h s TYR 18 Cb -0.11 -2.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.88 2k5h s TYR 18 CO 0.46 0.19 -0.03 0.12 -1.57 0.00 0.00 175.55 174.72 2k5h s PHE 19 N -1.81 3.01 -0.27 2.71 2.19 -1.26 -5.08 117.98 117.46 2k5h s PHE 19 Ca 0.50 -0.45 0.02 0.00 0.33 0.00 0.00 56.93 57.33 2k5h s PHE 19 Cb -0.13 -2.02 0.07 0.00 -1.31 0.00 0.00 43.02 39.63 2k5h s PHE 19 CO 0.19 -0.19 -0.05 -0.65 1.83 0.00 0.00 175.22 176.35 2k5h s GLN 20 N 0.75 1.85 -0.05 10.12 -0.21 -1.26 -4.94 119.66 125.92 2k5h s GLN 20 Ca -0.01 -1.34 0.13 0.00 0.02 0.00 0.00 55.36 54.16 2k5h s GLN 20 Cb -0.14 -2.83 0.46 0.00 1.00 0.00 0.00 33.01 31.50 2k5h s GLN 20 CO 0.02 -0.67 1.34 0.41 -2.12 0.00 0.00 175.29 174.27 2k5h n GLY 21 N 4.48 1.62 3.37 3.09 0.00 -1.26 -4.75 105.19 111.74 2k5h n GLY 21 Ca -0.09 -0.54 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 2k5h n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5h s HIS 22 N -1.60 3.39 0.25 1.61 5.04 -1.26 -5.04 115.29 117.69 2k5h s HIS 22 Ca 0.33 -1.56 -0.01 0.00 -1.54 0.00 0.00 55.06 52.28 2k5h s HIS 22 Cb 0.20 -3.98 -0.04 0.00 0.04 0.00 0.00 32.58 28.79 2k5h s HIS 22 CO 0.18 -1.19 0.46 0.00 -2.34 0.00 0.00 174.74 171.85 2k5h s MET 23 N 1.48 3.54 -0.22 2.88 0.23 -1.26 -5.09 119.30 120.86 2k5h s MET 23 Ca 0.19 -0.26 -0.04 0.00 -1.03 0.00 0.00 55.69 54.55 2k5h s MET 23 Cb -0.13 -2.76 0.08 0.00 -1.53 0.00 0.00 34.83 30.49 2k5h s MET 23 CO -0.05 0.31 0.10 0.00 -2.03 0.00 0.00 175.02 173.35 2k5h s ALA 24 N -2.01 0.56 -0.83 3.16 0.00 -1.26 -5.08 121.76 116.29 2k5h s ALA 24 Ca 0.40 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2k5h s ALA 24 Cb -0.11 -1.20 0.18 0.00 0.00 0.00 0.00 23.12 22.00 2k5h s ALA 24 CO 0.30 -1.38 0.87 0.00 0.00 0.00 0.00 175.76 175.55 2k5h s ALA 25 N 2.10 3.80 -0.11 0.00 0.00 -1.26 -4.97 121.76 121.32 2k5h s ALA 25 Ca 0.05 -3.05 -0.04 0.00 0.00 0.00 0.00 51.96 48.92 2k5h s ALA 25 Cb -0.16 -3.68 0.06 0.00 0.00 0.00 0.00 23.12 19.34 2k5h s ALA 25 CO -0.21 -2.50 0.19 0.50 0.00 0.00 0.00 175.76 173.75 2k5h s ARG 26 N 1.16 0.07 -0.51 0.00 3.52 -1.26 -5.11 118.95 116.83 2k5h s ARG 26 Ca 0.22 0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 56.28 2k5h s ARG 26 Cb -0.10 -0.33 0.13 0.00 -1.56 0.00 0.00 34.95 33.09 2k5h s ARG 26 CO -0.08 -0.34 0.40 0.42 -0.81 0.00 0.00 175.30 174.89 2k5h s ILE 27 N 2.32 4.43 -0.15 4.11 1.01 -1.26 -4.87 121.20 126.79 2k5h s ILE 27 Ca 0.03 -1.83 -0.09 0.00 0.00 0.00 0.00 60.65 58.76 2k5h s ILE 27 Cb -0.12 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 2k5h s ILE 27 CO -0.07 -0.81 -0.22 0.41 0.00 0.00 0.00 174.94 174.25 2k5h n THR 28 N 4.85 0.99 -2.58 2.92 -1.04 -1.26 -4.91 114.28 113.24 2k5h n THR 28 Ca -0.07 -0.16 -0.03 0.00 -2.04 0.00 0.00 64.05 61.75 2k5h n THR 28 Cb 0.41 -1.77 0.10 0.00 -1.82 0.00 0.00 70.33 67.25 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 2.00 1.84 2.79 3.41 0.00 -1.26 -5.06 105.19 108.90 2k5h n GLY 29 Ca -0.29 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 0.11 1.74 0.56 1.61 8.01 -1.26 -5.11 118.70 124.36 2k5h s GLU 30 Ca 0.08 -2.54 -0.18 0.00 0.01 0.00 0.00 54.97 52.34 2k5h s GLU 30 Cb 0.39 -2.78 -0.05 0.00 -4.31 0.00 0.00 34.13 27.38 2k5h s GLU 30 CO -0.11 -1.21 1.07 -1.25 0.01 0.00 0.00 175.26 173.76 2k5h s PRO 31 N -0.34 3.43 0.29 0.39 0.04 -1.26 -4.99 135.00 132.56 2k5h s PRO 31 Ca 0.21 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 2k5h s PRO 31 Cb -0.16 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 2k5h s PRO 31 CO -0.07 -0.74 1.45 -1.12 0.04 0.00 0.00 177.00 176.57 2k5h s SER 32 N -2.38 6.58 -0.87 6.66 0.01 -1.26 -4.90 113.70 117.54 2k5h s SER 32 Ca 0.66 2.79 -0.25 0.00 1.31 0.00 0.00 55.95 60.46 2k5h s SER 32 Cb -0.18 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.41 2k5h s SER 32 CO 0.31 -0.73 1.69 -1.59 0.41 0.00 0.00 173.24 173.32 2k5h s LYS 33 N -0.97 2.97 0.29 12.44 -2.85 -1.26 -4.87 119.74 125.50 2k5h s LYS 33 Ca 0.57 -0.39 -0.12 0.00 -1.00 0.00 0.00 55.97 55.02 2k5h s LYS 33 Cb -0.43 -4.93 0.01 0.00 -2.06 0.00 0.00 37.83 30.42 2k5h s LYS 33 CO 0.49 -2.75 0.56 0.21 0.10 0.00 0.00 175.35 173.96 2k5h s LYS 34 N 6.22 1.76 -0.04 1.78 2.20 -1.26 -5.10 119.74 125.30 2k5h s LYS 34 Ca 0.58 -1.35 -0.03 0.00 -0.36 0.00 0.00 55.97 54.81 2k5h s LYS 34 Cb -0.06 0.51 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 2k5h s LYS 34 CO 0.02 -0.76 0.06 0.00 -0.36 0.00 0.00 175.35 174.31 2k5h n ALA 35 N -0.45 -2.96 -2.03 3.13 0.00 -1.26 -4.90 120.51 112.03 2k5h n ALA 35 Ca -0.02 0.69 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 2k5h n ALA 35 Cb 0.61 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 2k5h n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k5h s VAL 36 N -0.29 3.49 0.53 0.00 1.01 -1.26 -4.99 120.40 118.89 2k5h s VAL 36 Ca -0.07 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.70 2k5h s VAL 36 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2k5h s VAL 36 CO 0.19 -0.04 0.32 -0.44 0.00 0.00 0.00 175.10 175.13 2k5h s SER 37 N 2.82 4.53 0.00 3.32 0.01 -1.26 -5.00 113.70 118.13 2k5h s SER 37 Ca 0.71 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2k5h s SER 37 Cb -0.34 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2k5h s SER 37 CO 0.29 -1.04 0.60 -0.90 0.41 0.00 0.00 173.24 172.61 2k5h n ASP 38 N -1.65 0.45 0.13 2.44 5.68 -1.26 -3.64 116.55 118.69 2k5h n ASP 38 Ca -0.05 -1.66 0.12 0.00 -0.50 0.00 0.00 54.79 52.70 2k5h n ASP 38 Cb 0.65 -0.22 0.49 0.00 -1.14 0.00 0.00 41.12 40.90 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5h n ARG 39 N -0.18 0.18 0.00 0.11 5.12 -1.26 -1.89 116.66 118.74 2k5h n ARG 39 Ca 0.00 0.44 0.11 0.00 -1.93 0.00 0.00 57.85 56.47 2k5h n ARG 39 Cb 0.11 -1.87 0.03 0.00 -1.16 0.00 0.00 32.46 29.58 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k5h n LEU 40 N -2.22 1.38 -4.69 0.55 4.77 -1.24 -4.86 117.00 110.69 2k5h n LEU 40 Ca 0.02 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.06 2k5h n LEU 40 Cb 0.21 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2k5h n LEU 40 CO 0.19 0.28 0.62 -0.63 -1.33 0.00 0.00 177.39 176.52 2k5h s ILE 41 N -2.72 4.89 0.00 -0.08 -1.09 -0.79 -3.51 121.20 117.89 2k5h s ILE 41 Ca 0.15 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 2k5h s ILE 41 Cb 0.17 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2k5h s ILE 41 CO 0.68 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 2k5h n GLY 42 N 3.27 0.61 3.95 6.18 0.00 0.24 -5.02 105.19 114.41 2k5h n GLY 42 Ca 0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.51 3.04 0.20 1.61 0.52 -1.23 -4.80 118.95 117.78 2k5h s ARG 43 Ca 0.00 -1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 53.97 2k5h s ARG 43 Cb 0.00 -2.73 -0.08 0.00 0.52 0.00 0.00 34.95 32.66 2k5h s ARG 43 CO 0.00 0.12 0.67 0.21 0.02 0.00 0.00 175.30 176.32 2k5h s LYS 44 N -4.09 4.16 0.20 3.54 2.36 -1.26 -1.35 119.74 123.30 2k5h s LYS 44 Ca 0.42 0.74 -0.01 0.00 -2.55 0.00 0.00 55.97 54.58 2k5h s LYS 44 Cb -0.08 -2.88 -0.04 0.00 -1.05 0.00 0.00 37.83 33.77 2k5h s LYS 44 CO 0.29 0.41 0.13 0.20 1.55 0.00 0.00 175.35 177.93 2k5h s GLY 45 N -1.69 1.46 0.03 5.54 0.00 0.17 -4.47 107.32 108.36 2k5h s GLY 45 Ca 0.42 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.50 2k5h s GLY 45 CO 0.20 -1.42 -0.21 0.54 0.00 0.00 0.00 173.10 172.22 2k5h s VAL 46 N -4.12 1.66 -0.28 1.40 0.11 -1.17 0.32 120.40 118.32 2k5h s VAL 46 Ca 0.39 -1.13 -0.28 0.00 -2.93 0.00 0.00 61.98 58.03 2k5h s VAL 46 Cb 0.07 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.50 2k5h s VAL 46 CO 0.12 0.26 0.99 -0.69 -3.33 0.00 0.00 175.10 172.45 2k5h s VAL 47 N -0.73 4.65 -0.07 2.04 1.01 -0.49 -0.56 120.40 126.25 2k5h s VAL 47 Ca 0.08 1.74 0.18 0.00 0.00 0.00 0.00 61.98 63.97 2k5h s VAL 47 Cb -0.09 -4.31 -0.27 0.00 0.00 0.00 0.00 36.38 31.72 2k5h s VAL 47 CO 0.01 -0.29 0.30 0.23 0.00 0.00 0.00 175.10 175.35 2k5h n MET 48 N 6.48 0.75 -4.07 2.72 2.81 0.10 -1.08 117.12 124.83 2k5h n MET 48 Ca 0.10 -0.12 -0.14 0.00 -1.81 0.00 0.00 57.70 55.73 2k5h n MET 48 Cb 0.47 -1.44 -0.13 0.00 -0.71 0.00 0.00 33.22 31.41 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 -3.03 0.41 0.05 0.03 2.56 -0.70 -4.85 118.70 113.17 2k5h s GLU 49 Ca -0.07 -0.44 -0.34 0.00 0.00 0.00 0.00 54.97 54.11 2k5h s GLU 49 Cb 0.10 -0.26 -0.13 0.00 2.00 0.00 0.00 34.13 35.83 2k5h s GLU 49 CO 0.75 0.06 1.70 0.00 -0.56 0.00 0.00 175.26 177.21 2k5h n ALA 50 N 2.23 1.05 -2.87 6.30 0.00 -1.26 -2.68 120.51 123.28 2k5h n ALA 50 Ca -0.18 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 2k5h n ALA 50 Cb 0.57 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 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 2.24 4.49 0.15 0.00 1.01 -0.21 -3.66 121.20 125.24 2k5h s ILE 51 Ca 0.85 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.38 2k5h s ILE 51 Cb -0.70 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2k5h s ILE 51 CO 0.44 0.47 -0.02 -0.94 0.00 0.00 0.00 174.94 174.89 2k5h s SER 52 N 0.37 1.23 0.59 3.58 1.04 -0.48 -1.05 113.70 118.99 2k5h s SER 52 Ca 0.01 -1.12 0.36 0.00 0.48 0.00 0.00 55.95 55.67 2k5h s SER 52 Cb -0.13 0.10 1.87 0.00 0.10 0.00 0.00 66.02 67.97 2k5h s SER 52 CO 0.01 -0.53 2.20 -0.65 0.98 0.00 0.00 173.24 175.25 2k5h h PRO 53 N 2.77 0.00 0.00 4.02 0.11 -1.78 -3.24 132.00 133.88 2k5h h PRO 53 Ca -0.36 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 2k5h h PRO 53 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k5h h PRO 53 CO 0.63 0.04 -0.17 1.96 -0.21 0.00 0.00 178.00 180.25 2k5h h GLN 54 N 0.00 0.00 -5.26 1.05 4.20 -1.95 -3.47 115.11 109.69 2k5h h GLN 54 Ca -0.00 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.10 2k5h h GLN 54 Cb 0.19 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 27.64 2k5h h GLN 54 CO 0.00 0.05 -0.85 1.21 -0.67 0.00 0.00 178.83 178.57 2k5h s ASN 55 N -5.65 2.54 0.78 1.46 2.47 -1.22 -5.12 114.94 110.19 2k5h s ASN 55 Ca -0.05 -0.44 -0.13 0.00 0.42 0.00 0.00 52.86 52.65 2k5h s ASN 55 Cb 0.01 -0.97 0.07 0.00 -1.45 0.00 0.00 41.25 38.91 2k5h s ASN 55 CO 0.10 0.14 1.19 -0.44 -3.72 0.00 0.00 177.10 174.37 2k5h s SER 56 N 0.25 3.89 0.00 -4.21 0.01 -1.26 -1.38 113.70 111.01 2k5h s SER 56 Ca -0.11 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.43 2k5h s SER 56 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2k5h s SER 56 CO 0.05 -2.46 0.00 0.61 0.41 0.00 0.00 173.24 171.85 2k5h n GLY 57 N 0.25 5.18 3.09 3.44 0.00 0.88 -4.74 105.19 113.28 2k5h n GLY 57 Ca 0.13 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 1.79 0.05 0.99 1.43 -1.09 -0.97 118.68 120.87 2k5h s LEU 58 Ca 0.00 -0.40 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2k5h s LEU 58 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 2k5h s LEU 58 CO 0.00 0.06 -0.26 0.68 0.23 0.00 0.00 176.35 177.06 2k5h s VAL 59 N 0.66 2.11 -0.49 -1.59 -7.23 0.39 0.02 120.40 114.28 2k5h s VAL 59 Ca -0.14 -1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 2k5h s VAL 59 Cb -0.16 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.01 2k5h s VAL 59 CO 0.04 0.33 0.64 -0.75 -0.31 0.00 0.00 175.10 175.05 2k5h s LYS 60 N -1.31 3.18 -0.50 4.82 2.20 0.28 -0.79 119.74 127.61 2k5h s LYS 60 Ca 0.12 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.86 2k5h s LYS 60 Cb -0.10 -4.05 0.08 0.00 -1.51 0.00 0.00 37.83 32.26 2k5h s LYS 60 CO 0.02 -1.16 0.49 0.08 -0.36 0.00 0.00 175.35 174.42 2k5h s VAL 61 N 2.74 5.12 0.00 4.02 1.01 0.78 -3.07 120.40 131.01 2k5h s VAL 61 Ca 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2k5h s VAL 61 Cb -0.17 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2k5h s VAL 61 CO 0.14 -0.72 0.00 -0.67 0.00 0.00 0.00 175.10 173.85 2k5h n ASP 62 N 5.50 0.00 0.00 3.32 -0.08 -1.26 -2.05 116.55 121.98 2k5h n ASP 62 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 2k5h n ASP 62 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 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 1.00 3.42 0.27 0.00 -1.26 -5.11 105.19 103.51 2k5h n GLY 63 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.50 -0.22 1.61 2.02 -0.87 -5.12 118.70 117.61 2k5h s GLU 64 Ca 0.00 -1.51 -0.09 0.00 0.02 0.00 0.00 54.97 53.39 2k5h s GLU 64 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2k5h s GLU 64 CO 0.00 0.40 0.11 0.99 0.02 0.00 0.00 175.26 176.78 2k5h s THR 65 N -1.63 5.00 0.16 3.63 2.01 -1.26 -0.16 115.64 123.39 2k5h s THR 65 Ca 0.20 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.32 2k5h s THR 65 Cb -0.08 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2k5h s THR 65 CO 0.09 0.38 -0.15 0.26 -0.69 0.00 0.00 174.62 174.51 2k5h s TRP 66 N 0.92 1.64 0.36 4.92 0.52 0.02 -4.94 118.94 122.39 2k5h s TRP 66 Ca 0.06 -0.54 -0.26 0.00 0.02 0.00 0.00 56.10 55.37 2k5h s TRP 66 Cb -0.13 -0.81 -0.09 0.00 -1.15 0.00 0.00 33.47 31.29 2k5h s TRP 66 CO 0.03 0.27 1.13 1.03 0.02 0.00 0.00 176.95 179.43 2k5h s ARG 67 N -3.08 4.26 -0.04 4.98 3.00 -1.26 -0.46 118.95 126.34 2k5h s ARG 67 Ca 0.16 1.77 -0.06 0.00 0.00 0.00 0.00 55.73 57.60 2k5h s ARG 67 Cb -0.03 -2.81 0.01 0.00 0.00 0.00 0.00 34.95 32.12 2k5h s ARG 67 CO 0.05 -0.12 0.16 0.00 0.00 0.00 0.00 175.30 175.39 2k5h s ALA 68 N -1.39 -0.39 0.33 2.13 0.00 -0.15 -0.32 121.76 121.98 2k5h s ALA 68 Ca 0.53 0.31 0.10 0.00 0.00 0.00 0.00 51.96 52.90 2k5h s ALA 68 Cb -0.29 -0.17 -0.06 0.00 0.00 0.00 0.00 23.12 22.59 2k5h s ALA 68 CO 0.37 -0.11 -0.11 0.99 0.00 0.00 0.00 175.76 176.90 2k5h s THR 69 N -0.30 2.25 0.33 0.00 2.01 0.13 -0.09 115.64 119.97 2k5h s THR 69 Ca -0.04 -2.24 -0.17 0.00 0.31 0.00 0.00 61.69 59.55 2k5h s THR 69 Cb -0.03 -2.57 0.06 0.00 0.01 0.00 0.00 72.50 69.97 2k5h s THR 69 CO 0.01 -0.25 0.86 -0.55 -0.69 0.00 0.00 174.62 174.00 2k5h s SER 70 N -3.58 0.01 0.00 3.53 0.15 -1.26 -2.00 113.70 110.54 2k5h s SER 70 Ca 0.32 -1.02 0.26 0.00 0.70 0.00 0.00 55.95 56.20 2k5h s SER 70 Cb 0.01 0.76 0.61 0.00 -1.71 0.00 0.00 66.02 65.69 2k5h s SER 70 CO 0.16 -1.51 1.48 0.61 1.20 0.00 0.00 173.24 175.18 2k5h n GLY 71 N -0.58 -1.00 3.55 9.45 0.00 -1.26 -3.88 105.19 111.48 2k5h n GLY 71 Ca -0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 2k5h n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k5h s THR 72 N -2.80 2.30 -0.74 2.61 -4.23 -1.26 -4.84 115.64 106.67 2k5h s THR 72 Ca 0.16 -2.19 -0.19 0.00 -1.18 0.00 0.00 61.69 58.30 2k5h s THR 72 Cb 0.18 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 71.49 2k5h s THR 72 CO 0.63 -0.21 0.89 -0.69 -0.54 0.00 0.00 174.62 174.70 2k5h s VAL 73 N -2.59 4.82 -0.07 2.29 1.01 -1.26 -4.43 120.40 120.17 2k5h s VAL 73 Ca 0.33 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 2k5h s VAL 73 Cb 0.02 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2k5h s VAL 73 CO 0.17 -1.29 0.71 -0.76 0.00 0.00 0.00 175.10 173.93 2k5h s LEU 74 N 2.55 4.31 0.40 3.92 1.43 -0.21 -4.90 118.68 126.18 2k5h s LEU 74 Ca 0.21 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 2k5h s LEU 74 Cb -0.15 -3.09 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2k5h s LEU 74 CO -0.00 -0.12 0.58 -1.81 0.23 0.00 0.00 176.35 175.23 2k5h s ASP 75 N 0.81 5.89 0.20 2.29 1.01 -1.26 -1.04 116.67 124.56 2k5h s ASP 75 Ca 0.38 0.09 -0.32 0.00 0.71 0.00 0.00 52.55 53.41 2k5h s ASP 75 Cb -0.18 -1.41 -0.11 0.00 1.01 0.00 0.00 42.92 42.24 2k5h s ASP 75 CO 0.18 -0.58 1.63 -0.69 0.21 0.00 0.00 175.17 175.91 2k5h s VAL 76 N -2.39 2.34 0.00 -1.27 1.01 -1.26 -2.65 120.40 116.18 2k5h s VAL 76 Ca 0.47 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2k5h s VAL 76 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2k5h s VAL 76 CO 0.35 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2k5h n GLY 77 N 3.63 0.68 3.85 4.51 0.00 -0.24 -5.00 105.19 112.62 2k5h n GLY 77 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.64 2.61 -0.12 1.61 0.41 -1.08 -4.82 118.70 116.66 2k5h s GLU 78 Ca 0.00 0.55 -0.03 0.00 -0.41 0.00 0.00 54.97 55.08 2k5h s GLU 78 Cb 0.00 -1.99 -0.03 0.00 -1.78 0.00 0.00 34.13 30.33 2k5h s GLU 78 CO 0.00 -1.23 -0.00 -1.21 -0.49 0.00 0.00 175.26 172.33 2k5h s GLU 79 N -5.27 3.36 0.19 1.61 0.41 -1.26 -1.39 118.70 116.35 2k5h s GLU 79 Ca 0.59 -0.44 0.04 0.00 -0.41 0.00 0.00 54.97 54.75 2k5h s GLU 79 Cb -0.12 -2.89 -0.05 0.00 -1.78 0.00 0.00 34.13 29.28 2k5h s GLU 79 CO 0.53 0.49 -0.04 0.14 -0.49 0.00 0.00 175.26 175.89 2k5h s VAL 80 N -0.29 1.03 -0.06 2.63 -7.23 0.15 -0.55 120.40 116.08 2k5h s VAL 80 Ca 0.06 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.24 2k5h s VAL 80 Cb -0.12 -2.13 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 2k5h s VAL 80 CO 0.02 -0.50 -0.19 -0.55 -0.31 0.00 0.00 175.10 173.57 2k5h s SER 81 N -3.24 2.42 -0.34 4.85 0.15 -1.19 0.42 113.70 116.78 2k5h s SER 81 Ca 0.23 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 2k5h s SER 81 Cb 0.05 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.53 2k5h s SER 81 CO 0.05 0.15 1.07 -0.69 1.20 0.00 0.00 173.24 175.02 2k5h s VAL 82 N 0.18 4.48 -0.10 4.45 1.01 -0.45 -1.07 120.40 128.90 2k5h s VAL 82 Ca -0.09 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 63.35 2k5h s VAL 82 Cb -0.14 -4.43 -0.16 0.00 0.00 0.00 0.00 36.38 31.65 2k5h s VAL 82 CO 0.04 -0.55 0.62 0.11 0.00 0.00 0.00 175.10 175.33 2k5h h LYS 83 N 8.25 -0.07 -2.87 2.72 1.79 -0.90 0.69 116.57 126.19 2k5h h LYS 83 Ca -0.21 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2k5h h LYS 83 Cb 1.06 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.70 2k5h h LYS 83 CO 1.04 0.49 0.32 0.00 -1.08 0.00 0.00 179.45 180.22 2k5h s ALA 84 N -2.83 -1.10 -0.11 3.86 0.00 -1.08 -4.59 121.76 115.90 2k5h s ALA 84 Ca -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2k5h s ALA 84 Cb -0.01 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 2k5h s ALA 84 CO 0.45 -1.02 0.04 0.42 0.00 0.00 0.00 175.76 175.65 2k5h s ILE 85 N -2.93 4.62 -0.68 0.00 1.01 -1.26 -0.63 121.20 121.32 2k5h s ILE 85 Ca 0.14 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2k5h s ILE 85 Cb -0.05 -2.98 0.18 0.00 0.01 0.00 0.00 42.46 39.62 2k5h s ILE 85 CO 0.08 0.58 0.50 1.21 0.00 0.00 0.00 174.94 177.32 2k5h n GLU 86 N 2.36 1.74 0.00 2.79 4.07 0.14 -4.88 120.64 126.86 2k5h n GLU 86 Ca -0.19 -4.39 0.00 0.00 -0.06 0.00 0.00 57.16 52.53 2k5h n GLU 86 Cb 0.54 -2.23 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k5h n GLY 87 N 1.95 1.14 0.50 8.31 0.00 -1.26 -0.49 105.19 115.34 2k5h n GLY 87 Ca 0.21 0.29 0.10 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 -3.90 1.61 3.14 -1.26 -4.96 118.33 112.97 2k5h n VAL 88 Ca 0.00 -0.30 -0.22 0.00 -2.96 0.00 0.00 64.34 60.86 2k5h n VAL 88 Cb 0.00 1.26 -0.05 0.00 -1.06 0.00 0.00 33.84 33.99 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 -2.30 2.52 0.15 1.45 1.02 0.36 -4.37 119.74 118.57 2k5h s LYS 89 Ca 0.18 -1.48 0.11 0.00 0.02 0.00 0.00 55.97 54.80 2k5h s LYS 89 Cb 0.17 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2k5h s LYS 89 CO 0.51 0.03 -0.26 -0.51 -0.92 0.00 0.00 175.35 174.20 2k5h s LEU 90 N -3.96 2.38 -0.33 3.17 1.43 0.56 0.25 118.68 122.17 2k5h s LEU 90 Ca 0.41 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2k5h s LEU 90 Cb -0.03 -1.22 0.02 0.00 0.03 0.00 0.00 46.19 44.99 2k5h s LEU 90 CO 0.25 0.16 0.13 -0.69 0.23 0.00 0.00 176.35 176.43 2k5h s VAL 91 N -1.26 4.20 0.32 -1.59 1.01 0.19 0.18 120.40 123.46 2k5h s VAL 91 Ca 0.16 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.45 2k5h s VAL 91 Cb -0.09 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2k5h s VAL 91 CO 0.07 -0.07 -0.12 0.68 0.00 0.00 0.00 175.10 175.66 2k5h s VAL 92 N 1.51 2.37 0.51 2.92 -7.23 -0.85 -0.16 120.40 119.47 2k5h s VAL 92 Ca 0.02 -2.26 0.06 0.00 -1.81 0.00 0.00 61.98 57.99 2k5h s VAL 92 Cb -0.18 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.23 2k5h s VAL 92 CO 0.04 -0.27 0.35 -1.83 -0.31 0.00 0.00 175.10 173.08 2k5h s GLU 93 N -3.58 2.28 -0.23 4.82 -1.05 -0.23 -4.55 118.70 116.15 2k5h s GLU 93 Ca 0.32 -1.97 -0.16 0.00 -0.15 0.00 0.00 54.97 53.00 2k5h s GLU 93 Cb -0.00 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.58 2k5h s GLU 93 CO 0.16 -0.50 0.44 0.21 0.95 0.00 0.00 175.26 176.52 2k5h s LYS 94 N -4.19 4.11 0.01 -4.83 2.20 -1.26 -3.15 119.74 112.63 2k5h s LYS 94 Ca 0.34 0.22 -0.23 0.00 -0.36 0.00 0.00 55.97 55.94 2k5h s LYS 94 Cb -0.01 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2k5h s LYS 94 CO 0.21 -0.18 0.71 -1.17 -0.36 0.00 0.00 175.35 174.55 2k5h s LEU 95 N 1.77 4.42 0.00 5.43 2.96 0.28 -4.88 118.68 128.67 2k5h s LEU 95 Ca 0.19 1.32 0.01 0.00 -0.22 0.00 0.00 54.13 55.44 2k5h s LEU 95 Cb -0.15 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.44 2k5h s LEU 95 CO 0.09 0.02 0.91 1.21 -1.32 0.00 0.00 176.35 177.26 2k5h n GLU 96 N 2.93 0.00 -1.17 1.98 4.07 -1.26 -4.63 120.64 122.55 2k5h n GLU 96 Ca -0.04 -0.86 -0.06 0.00 -0.06 0.00 0.00 57.16 56.15 2k5h n GLU 96 Cb 0.51 -0.37 -0.02 0.00 -0.06 0.00 0.00 31.44 31.49 2k5h n GLU 96 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2k5h n GLU 97 N 0.02 -1.36 -1.74 5.31 2.13 -1.26 -4.92 120.64 118.83 2k5h n GLU 97 Ca -0.00 0.62 -0.42 0.00 0.66 0.00 0.00 57.16 58.02 2k5h n GLU 97 Cb 0.68 -4.77 -0.03 0.00 0.27 0.00 0.00 31.44 27.60 2k5h n GLU 97 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2k5h s GLN 98 N -2.17 4.14 -0.20 5.31 0.74 -1.26 -4.87 119.66 121.35 2k5h s GLN 98 Ca 0.00 2.57 0.12 0.00 0.05 0.00 0.00 55.36 58.09 2k5h s GLN 98 Cb 0.00 -3.53 0.41 0.00 1.10 0.00 0.00 33.01 30.99 2k5h s GLN 98 CO 0.00 -0.82 1.21 0.36 -0.55 0.00 0.00 175.29 175.50 2k5h n LYS 99 N 5.46 1.57 0.00 1.67 2.85 -1.26 -4.99 118.16 123.45 2k5h n LYS 99 Ca 0.17 -3.25 0.00 0.00 -1.05 0.00 0.00 58.31 54.18 2k5h n LYS 99 Cb 0.38 -1.61 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k5h n GLY 100 N -1.14 2.01 0.00 2.58 0.00 -1.26 -5.32 105.19 102.06 2k5h n GLY 100 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76