#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h s GLY 2 N 0.00 1.05 -0.13 3.03 0.00 -1.26 -5.12 107.32 104.89 2k5h s GLY 2 Ca 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.08 2k5h s GLY 2 CO 0.00 1.61 -0.02 -0.56 0.00 0.00 0.00 173.10 174.13 2k5h s SER 3 N 1.64 5.00 -0.33 1.64 0.01 -1.26 -5.08 113.70 115.32 2k5h s SER 3 Ca 0.09 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2k5h s SER 3 Cb -0.17 -1.63 0.10 0.00 0.21 0.00 0.00 66.02 64.53 2k5h s SER 3 CO -0.25 0.26 0.04 -0.44 0.41 0.00 0.00 173.24 173.27 2k5h s SER 4 N -0.17 4.62 -0.02 2.44 0.01 -1.26 -5.09 113.70 114.23 2k5h s SER 4 Ca 0.04 -2.01 0.01 0.00 1.31 0.00 0.00 55.95 55.30 2k5h s SER 4 Cb -0.13 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.61 2k5h s SER 4 CO 0.02 -0.37 -0.02 -2.28 0.41 0.00 0.00 173.24 171.00 2k5h s HIS 5 N 1.03 0.32 0.15 2.43 5.04 -1.26 -5.15 115.29 117.85 2k5h s HIS 5 Ca 0.09 -0.04 0.11 0.00 -1.54 0.00 0.00 55.06 53.68 2k5h s HIS 5 Cb -0.19 -0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.09 2k5h s HIS 5 CO -0.10 -0.06 -0.24 -1.01 -2.34 0.00 0.00 174.74 170.98 2k5h s HIS 6 N 0.40 2.34 -0.41 3.88 0.09 -1.26 -5.11 115.29 115.22 2k5h s HIS 6 Ca -0.04 -0.36 0.04 0.00 -0.00 0.00 0.00 55.06 54.70 2k5h s HIS 6 Cb -0.07 -1.23 0.11 0.00 -0.00 0.00 0.00 32.58 31.40 2k5h s HIS 6 CO -0.01 0.40 0.15 -3.38 -0.00 0.00 0.00 174.74 171.90 2k5h s HIS 7 N -1.29 3.30 -0.29 1.40 -0.00 -1.26 -5.05 115.29 112.09 2k5h s HIS 7 Ca 0.17 -2.96 -0.00 0.00 -0.00 0.00 0.00 55.06 52.27 2k5h s HIS 7 Cb -0.09 -2.75 0.09 0.00 -0.00 0.00 0.00 32.58 29.83 2k5h s HIS 7 CO 0.08 -0.85 0.07 -1.58 -0.00 0.00 0.00 174.74 172.46 2k5h s HIS 8 N 0.44 1.88 -0.12 0.38 2.46 -1.26 -5.08 115.29 113.99 2k5h s HIS 8 Ca 0.14 -1.75 -0.03 0.00 0.47 0.00 0.00 55.06 53.89 2k5h s HIS 8 Cb -0.22 -1.73 0.05 0.00 -0.13 0.00 0.00 32.58 30.55 2k5h s HIS 8 CO -0.05 -0.84 0.06 -1.01 -2.47 0.00 0.00 174.74 170.42 2k5h s HIS 9 N 1.56 0.37 -0.49 3.88 4.02 -1.26 -5.11 115.29 118.26 2k5h s HIS 9 Ca 0.07 -0.20 -0.19 0.00 1.02 0.00 0.00 55.06 55.76 2k5h s HIS 9 Cb -0.18 -0.70 0.05 0.00 -1.02 0.00 0.00 32.58 30.73 2k5h s HIS 9 CO -0.20 -0.40 0.61 -1.58 1.02 0.00 0.00 174.74 174.19 2k5h s HIS 10 N 2.07 3.06 0.39 1.40 2.46 -1.26 -5.04 115.29 118.39 2k5h s HIS 10 Ca 0.03 -0.45 0.06 0.00 0.47 0.00 0.00 55.06 55.17 2k5h s HIS 10 Cb -0.14 -3.45 -0.07 0.00 -0.13 0.00 0.00 32.58 28.79 2k5h s HIS 10 CO -0.06 -0.98 0.02 -1.12 -2.47 0.00 0.00 174.74 170.13 2k5h s SER 11 N 2.50 3.52 0.33 9.88 0.01 -1.26 -5.13 113.70 123.55 2k5h s SER 11 Ca 0.16 -1.39 -0.22 0.00 1.31 0.00 0.00 55.95 55.82 2k5h s SER 11 Cb -0.18 -0.28 -0.10 0.00 0.21 0.00 0.00 66.02 65.67 2k5h s SER 11 CO 0.13 -0.51 0.86 -0.55 0.41 0.00 0.00 173.24 173.59 2k5h s SER 12 N -3.66 7.08 0.77 2.44 0.15 -1.26 -5.07 113.70 114.15 2k5h s SER 12 Ca 0.34 1.62 -0.02 0.00 0.70 0.00 0.00 55.95 58.59 2k5h s SER 12 Cb 0.09 -2.50 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 2k5h s SER 12 CO 0.17 -0.14 1.05 0.61 1.20 0.00 0.00 173.24 176.12 2k5h n GLY 13 N 0.13 0.40 3.93 9.45 0.00 -1.26 -5.10 105.19 112.75 2k5h n GLY 13 Ca 0.03 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.77 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 -5.24 3.45 0.61 1.61 1.81 -1.26 -5.10 118.95 114.83 2k5h s ARG 14 Ca 0.68 -0.52 -0.10 0.00 -1.72 0.00 0.00 55.73 54.08 2k5h s ARG 14 Cb -0.04 -2.98 -0.03 0.00 -0.45 0.00 0.00 34.95 31.46 2k5h s ARG 14 CO 0.46 0.54 0.99 -1.83 -0.68 0.00 0.00 175.30 174.78 2k5h s GLU 15 N -2.99 3.45 -0.17 3.54 -1.05 -1.26 -5.00 118.70 115.22 2k5h s GLU 15 Ca 0.35 0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 55.45 2k5h s GLU 15 Cb -0.12 -2.14 -0.02 0.00 -0.44 0.00 0.00 34.13 31.41 2k5h s GLU 15 CO 0.28 -0.58 1.43 1.21 0.95 0.00 0.00 175.26 178.56 2k5h s ASN 16 N -4.20 6.72 0.14 0.83 2.47 -1.26 -5.00 114.94 114.64 2k5h s ASN 16 Ca 0.54 1.73 -0.10 0.00 0.42 0.00 0.00 52.86 55.44 2k5h s ASN 16 Cb -0.11 -2.54 -0.06 0.00 -1.45 0.00 0.00 41.25 37.09 2k5h s ASN 16 CO 0.52 -0.95 0.48 -0.76 -3.72 0.00 0.00 177.10 172.66 2k5h s LEU 17 N 4.12 4.29 -0.20 3.21 1.43 -1.26 -5.07 118.68 125.21 2k5h s LEU 17 Ca 0.63 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.45 2k5h s LEU 17 Cb -0.24 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2k5h s LEU 17 CO 0.22 0.08 0.40 -0.47 0.23 0.00 0.00 176.35 176.81 2k5h s TYR 18 N -1.55 3.38 -0.08 0.29 5.04 -1.26 -5.06 117.35 118.11 2k5h s TYR 18 Ca 0.39 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 2k5h s TYR 18 Cb -0.13 -2.52 0.02 0.00 0.35 0.00 0.00 41.96 39.68 2k5h s TYR 18 CO 0.20 0.00 -0.08 0.12 -1.34 0.00 0.00 175.55 174.45 2k5h s PHE 19 N 1.26 1.27 -0.42 4.97 5.36 -1.26 -5.10 117.98 124.06 2k5h s PHE 19 Ca 0.19 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.42 2k5h s PHE 19 Cb -0.15 -1.04 0.02 0.00 -0.34 0.00 0.00 43.02 41.51 2k5h s PHE 19 CO 0.08 -0.37 0.65 -1.14 -1.46 0.00 0.00 175.22 172.99 2k5h s GLN 20 N 1.28 3.39 0.71 10.12 0.74 -1.26 -5.05 119.66 129.59 2k5h s GLN 20 Ca -0.04 -0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.01 2k5h s GLN 20 Cb -0.14 -3.91 0.02 0.00 1.10 0.00 0.00 33.01 30.08 2k5h s GLN 20 CO -0.03 -0.95 1.09 0.20 -0.55 0.00 0.00 175.29 175.05 2k5h s GLY 21 N 1.97 1.84 0.27 2.59 0.00 -1.26 -5.07 107.32 107.65 2k5h s GLY 21 Ca 0.24 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.30 2k5h s GLY 21 CO 0.18 0.65 0.05 0.30 0.00 0.00 0.00 173.10 174.28 2k5h s HIS 22 N -2.74 1.67 0.07 1.90 0.09 -1.26 -5.13 115.29 109.88 2k5h s HIS 22 Ca 0.62 -1.02 -0.28 0.00 -0.00 0.00 0.00 55.06 54.39 2k5h s HIS 22 Cb -0.17 -1.01 -0.05 0.00 -0.00 0.00 0.00 32.58 31.34 2k5h s HIS 22 CO 0.50 -0.12 0.88 -1.64 -0.00 0.00 0.00 174.74 174.36 2k5h s MET 23 N -3.93 4.60 -0.09 1.40 -1.94 -1.26 -5.03 119.30 113.05 2k5h s MET 23 Ca 0.34 1.28 -0.20 0.00 -1.71 0.00 0.00 55.69 55.40 2k5h s MET 23 Cb 0.07 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.49 2k5h s MET 23 CO 0.12 0.20 0.54 0.00 -0.01 0.00 0.00 175.02 175.88 2k5h s ALA 24 N 0.13 3.45 -0.84 3.03 0.00 -1.26 -5.02 121.76 121.25 2k5h s ALA 24 Ca 0.44 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 2k5h s ALA 24 Cb -0.22 -2.72 0.22 0.00 0.00 0.00 0.00 23.12 20.40 2k5h s ALA 24 CO 0.27 0.02 0.77 0.00 0.00 0.00 0.00 175.76 176.81 2k5h s ALA 25 N 0.48 4.11 -1.21 0.00 0.00 -1.26 -4.97 121.76 118.90 2k5h s ALA 25 Ca 0.29 -3.41 -0.17 0.00 0.00 0.00 0.00 51.96 48.67 2k5h s ALA 25 Cb -0.16 -3.37 0.10 0.00 0.00 0.00 0.00 23.12 19.69 2k5h s ALA 25 CO 0.13 -2.24 1.57 0.50 0.00 0.00 0.00 175.76 175.72 2k5h s ARG 26 N -0.14 3.95 -0.03 0.00 6.06 -1.26 -4.97 118.95 122.56 2k5h s ARG 26 Ca 0.20 -2.06 -0.22 0.00 -2.50 0.00 0.00 55.73 51.15 2k5h s ARG 26 Cb -0.11 -5.33 -0.05 0.00 0.06 0.00 0.00 34.95 29.52 2k5h s ARG 26 CO -0.08 -2.07 0.66 0.42 -2.50 0.00 0.00 175.30 171.73 2k5h s ILE 27 N 3.39 4.96 -0.26 4.11 1.01 -1.26 -4.98 121.20 128.16 2k5h s ILE 27 Ca 0.48 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 2k5h s ILE 27 Cb 0.01 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 2k5h s ILE 27 CO 0.02 0.33 2.22 0.35 0.00 0.00 0.00 174.94 177.87 2k5h n THR 28 N 3.25 0.29 0.00 2.92 -2.24 -1.26 -2.84 114.28 114.40 2k5h n THR 28 Ca -0.04 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2k5h n THR 28 Cb 0.51 -2.30 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 2k5h n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k5h n GLY 29 N 6.02 0.37 3.86 3.38 0.00 -1.26 -5.15 105.19 112.41 2k5h n GLY 29 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 2k5h n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5h s GLU 30 N 0.00 3.78 0.00 1.61 4.04 -1.13 -4.95 118.70 122.05 2k5h s GLU 30 Ca 0.00 0.69 0.03 0.00 0.04 0.00 0.00 54.97 55.73 2k5h s GLU 30 Cb 0.00 -2.23 0.14 0.00 0.02 0.00 0.00 34.13 32.06 2k5h s GLU 30 CO 0.00 -0.25 0.98 -2.30 -1.84 0.00 0.00 175.26 171.84 2k5h n PRO 31 N -1.81 0.03 -3.19 -4.83 -0.02 -1.26 -4.87 135.00 119.05 2k5h n PRO 31 Ca 0.05 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2k5h n PRO 31 Cb 0.54 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.59 2k5h n PRO 31 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5h n SER 32 N -1.37 -6.00 -4.90 2.55 7.64 -1.26 -5.00 113.62 105.28 2k5h n SER 32 Ca 0.01 -0.67 -0.29 0.00 1.01 0.00 0.00 58.87 58.94 2k5h n SER 32 Cb 0.03 -5.00 0.08 0.00 -1.01 0.00 0.00 64.21 58.31 2k5h n SER 32 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k5h s LYS 33 N -4.43 2.07 0.10 1.43 -0.14 -1.26 -4.96 119.74 112.55 2k5h s LYS 33 Ca 0.39 0.09 -0.33 0.00 -1.36 0.00 0.00 55.97 54.76 2k5h s LYS 33 Cb -0.05 -1.99 -0.12 0.00 -1.68 0.00 0.00 37.83 33.99 2k5h s LYS 33 CO 0.71 -1.50 1.73 0.36 -0.76 0.00 0.00 175.35 175.89 2k5h n LYS 34 N -3.24 2.40 -3.81 1.68 2.85 -1.26 -4.99 118.16 111.79 2k5h n LYS 34 Ca 0.08 0.87 -0.23 0.00 -1.05 0.00 0.00 58.31 57.98 2k5h n LYS 34 Cb 0.61 -2.70 -0.17 0.00 -0.65 0.00 0.00 35.03 32.11 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5h s ALA 35 N 2.16 0.71 -0.29 0.58 0.00 -1.26 -5.09 121.76 118.57 2k5h s ALA 35 Ca 0.82 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2k5h s ALA 35 Cb -0.61 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 21.81 2k5h s ALA 35 CO 0.40 -0.41 1.09 0.08 0.00 0.00 0.00 175.76 176.93 2k5h s VAL 36 N 1.84 4.51 0.28 0.00 1.01 -1.26 -4.99 120.40 121.80 2k5h s VAL 36 Ca 0.03 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2k5h s VAL 36 Cb -0.12 -4.36 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 2k5h s VAL 36 CO -0.05 -0.40 1.46 -0.55 0.00 0.00 0.00 175.10 175.56 2k5h s SER 37 N 1.65 6.57 0.00 3.32 0.15 -1.26 -4.88 113.70 119.26 2k5h s SER 37 Ca 0.46 2.77 0.22 0.00 0.70 0.00 0.00 55.95 60.11 2k5h s SER 37 Cb -0.13 -2.63 1.13 0.00 -1.71 0.00 0.00 66.02 62.68 2k5h s SER 37 CO 0.14 -0.75 1.72 -0.90 1.20 0.00 0.00 173.24 174.66 2k5h n ASP 38 N 1.92 0.00 0.00 5.45 5.68 -1.26 -2.08 116.55 126.26 2k5h n ASP 38 Ca 0.06 -0.05 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 2k5h n ASP 38 Cb 0.40 -0.28 0.57 0.00 -1.14 0.00 0.00 41.12 40.67 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 -1.28 0.41 0.00 0.11 1.74 -1.26 -1.68 116.66 114.70 2k5h n ARG 39 Ca 0.11 0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 2k5h n ARG 39 Cb 0.17 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.23 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k5h n LEU 40 N -1.21 0.67 -4.68 0.55 4.77 -0.88 -4.83 117.00 111.39 2k5h n LEU 40 Ca 0.12 -0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 2k5h n LEU 40 Cb 0.15 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2k5h n LEU 40 CO 0.15 0.16 1.22 -0.63 -1.33 0.00 0.00 177.39 176.97 2k5h s ILE 41 N -3.01 3.65 0.00 -0.08 -1.09 -0.67 -1.80 121.20 118.20 2k5h s ILE 41 Ca 0.10 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 2k5h s ILE 41 Cb 0.17 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2k5h s ILE 41 CO 0.76 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 2k5h n GLY 42 N 3.84 0.74 3.97 6.18 0.00 -0.40 -5.03 105.19 114.49 2k5h n GLY 42 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.65 2.98 0.32 1.61 0.52 -0.75 -4.83 118.95 118.15 2k5h s ARG 43 Ca 0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.46 2k5h s ARG 43 Cb 0.00 -2.62 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 2k5h s ARG 43 CO 0.00 -0.26 0.58 0.15 0.02 0.00 0.00 175.30 175.79 2k5h s LYS 44 N -4.48 3.61 0.19 3.54 1.02 -1.26 -1.57 119.74 120.78 2k5h s LYS 44 Ca 0.49 -0.01 -0.08 0.00 0.02 0.00 0.00 55.97 56.39 2k5h s LYS 44 Cb -0.10 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 2k5h s LYS 44 CO 0.36 0.16 0.30 0.20 -0.92 0.00 0.00 175.35 175.45 2k5h s GLY 45 N -3.36 0.66 0.01 -3.33 0.00 0.95 -4.51 107.32 97.74 2k5h s GLY 45 Ca 0.44 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 44.17 2k5h s GLY 45 CO 0.32 -0.89 -0.13 0.54 0.00 0.00 0.00 173.10 172.94 2k5h s VAL 46 N -4.01 3.20 -0.39 1.40 0.11 -0.74 0.41 120.40 120.37 2k5h s VAL 46 Ca 0.22 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 58.08 2k5h s VAL 46 Cb 0.03 -2.35 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2k5h s VAL 46 CO 0.04 0.40 0.88 -0.69 -3.33 0.00 0.00 175.10 172.40 2k5h s VAL 47 N -0.93 4.60 -0.09 2.04 1.01 0.42 -0.46 120.40 126.99 2k5h s VAL 47 Ca 0.15 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.15 2k5h s VAL 47 Cb -0.11 -4.32 -0.24 0.00 0.00 0.00 0.00 36.38 31.71 2k5h s VAL 47 CO 0.06 -0.59 0.47 0.23 0.00 0.00 0.00 175.10 175.27 2k5h n MET 48 N 6.77 0.69 -4.24 2.72 2.81 0.86 -1.82 117.12 124.91 2k5h n MET 48 Ca 0.06 0.26 -0.18 0.00 -1.81 0.00 0.00 57.70 56.03 2k5h n MET 48 Cb 0.48 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 31.13 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 -2.57 0.77 0.30 0.03 2.56 -0.46 -4.87 118.70 114.46 2k5h s GLU 49 Ca -0.13 -0.73 -0.30 0.00 0.00 0.00 0.00 54.97 53.81 2k5h s GLU 49 Cb 0.07 -0.73 -0.12 0.00 2.00 0.00 0.00 34.13 35.36 2k5h s GLU 49 CO 0.79 0.17 1.57 0.00 -0.56 0.00 0.00 175.26 177.24 2k5h n ALA 50 N 1.81 2.45 -2.93 6.30 0.00 -1.26 -3.30 120.51 123.58 2k5h n ALA 50 Ca -0.19 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 2k5h n ALA 50 Cb 0.55 -2.45 -0.14 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.16 2.96 0.21 0.00 1.01 -0.16 -4.00 121.20 121.07 2k5h s ILE 51 Ca 0.63 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2k5h s ILE 51 Cb -0.50 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 2k5h s ILE 51 CO 0.51 0.54 -0.06 -0.94 0.00 0.00 0.00 174.94 174.98 2k5h s SER 52 N 0.08 2.09 0.25 3.58 1.04 0.13 -1.36 113.70 119.51 2k5h s SER 52 Ca -0.06 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.23 2k5h s SER 52 Cb -0.15 -0.05 0.47 0.00 0.10 0.00 0.00 66.02 66.40 2k5h s SER 52 CO 0.05 -0.37 1.78 -0.65 0.98 0.00 0.00 173.24 175.02 2k5h h PRO 53 N 2.55 0.67 0.07 4.02 0.11 -1.78 -3.08 132.00 134.55 2k5h h PRO 53 Ca -0.38 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 2k5h h PRO 53 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k5h h PRO 53 CO 0.64 0.44 -0.95 1.96 -0.21 0.00 0.00 178.00 179.88 2k5h h GLN 54 N 0.69 0.15 -4.47 1.05 7.50 -1.97 -3.44 115.11 114.61 2k5h h GLN 54 Ca 0.43 -0.25 -0.71 0.00 0.50 0.00 0.00 58.65 58.62 2k5h h GLN 54 Cb 0.53 0.09 -0.29 0.00 0.05 0.00 0.00 27.48 27.86 2k5h h GLN 54 CO -0.31 1.12 -0.49 1.21 -1.50 0.00 0.00 178.83 178.85 2k5h s ASN 55 N -6.79 5.53 0.63 1.46 3.84 -1.17 -5.07 114.94 113.37 2k5h s ASN 55 Ca -0.20 -1.59 -0.17 0.00 0.21 0.00 0.00 52.86 51.10 2k5h s ASN 55 Cb 0.02 -1.94 -0.01 0.00 -0.55 0.00 0.00 41.25 38.77 2k5h s ASN 55 CO 0.72 -0.53 1.16 -0.44 -2.79 0.00 0.00 177.10 175.22 2k5h s SER 56 N 2.05 5.07 0.00 -4.21 0.01 -1.24 -0.69 113.70 114.68 2k5h s SER 56 Ca 0.03 2.20 0.00 0.00 1.31 0.00 0.00 55.95 59.50 2k5h s SER 56 Cb -0.23 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2k5h s SER 56 CO 0.01 -1.66 0.00 0.61 0.41 0.00 0.00 173.24 172.60 2k5h n GLY 57 N 0.06 5.25 3.14 3.44 0.00 0.29 -4.82 105.19 112.56 2k5h n GLY 57 Ca 0.12 -1.98 -0.27 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 1.91 0.08 0.99 1.43 -1.21 -1.01 118.68 120.88 2k5h s LEU 58 Ca 0.00 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2k5h s LEU 58 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2k5h s LEU 58 CO 0.00 0.14 -0.16 0.68 0.23 0.00 0.00 176.35 177.24 2k5h s VAL 59 N 0.20 1.29 -0.25 -1.59 -7.23 0.69 -0.10 120.40 113.41 2k5h s VAL 59 Ca -0.09 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.62 2k5h s VAL 59 Cb -0.14 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 2k5h s VAL 59 CO 0.04 -0.20 0.01 -0.75 -0.31 0.00 0.00 175.10 173.89 2k5h s LYS 60 N -1.88 3.31 -0.37 4.82 2.20 0.39 0.12 119.74 128.33 2k5h s LYS 60 Ca 0.01 -0.69 -0.10 0.00 -0.36 0.00 0.00 55.97 54.84 2k5h s LYS 60 Cb -0.09 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2k5h s LYS 60 CO 0.03 -0.28 0.18 0.08 -0.36 0.00 0.00 175.35 175.00 2k5h s VAL 61 N 1.50 4.35 0.00 4.02 1.01 0.92 -1.80 120.40 130.40 2k5h s VAL 61 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2k5h s VAL 61 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2k5h s VAL 61 CO -0.00 -0.23 0.00 -0.67 0.00 0.00 0.00 175.10 174.20 2k5h n ASP 62 N 4.95 0.00 0.00 3.32 2.03 -1.26 -1.54 116.55 124.05 2k5h n ASP 62 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2k5h n ASP 62 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5h n GLY 63 N 0.00 0.90 3.72 0.27 0.00 -1.26 -5.08 105.19 103.74 2k5h n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.09 3.08 -0.24 1.61 2.02 -0.59 -5.09 118.70 119.40 2k5h s GLU 64 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 54.97 54.51 2k5h s GLU 64 Cb 0.00 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 2k5h s GLU 64 CO 0.00 0.71 0.26 0.99 0.02 0.00 0.00 175.26 177.24 2k5h s THR 65 N -0.89 5.28 0.32 3.63 2.01 -1.26 -0.06 115.64 124.68 2k5h s THR 65 Ca 0.13 0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.58 2k5h s THR 65 Cb -0.11 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 2k5h s THR 65 CO 0.03 0.27 -0.06 0.26 -0.69 0.00 0.00 174.62 174.43 2k5h s TRP 66 N 1.44 2.19 0.28 4.92 0.52 0.12 -4.96 118.94 123.44 2k5h s TRP 66 Ca 0.11 -0.64 -0.09 0.00 0.02 0.00 0.00 56.10 55.51 2k5h s TRP 66 Cb -0.15 -1.30 -0.07 0.00 -1.15 0.00 0.00 33.47 30.81 2k5h s TRP 66 CO 0.07 0.39 0.59 1.03 0.02 0.00 0.00 176.95 179.06 2k5h s ARG 67 N -3.69 3.76 -0.09 4.98 3.00 -1.26 -0.22 118.95 125.42 2k5h s ARG 67 Ca 0.32 0.24 -0.09 0.00 0.00 0.00 0.00 55.73 56.20 2k5h s ARG 67 Cb 0.04 -2.60 0.02 0.00 0.00 0.00 0.00 34.95 32.42 2k5h s ARG 67 CO 0.15 0.22 0.25 0.00 0.00 0.00 0.00 175.30 175.92 2k5h s ALA 68 N -1.99 -0.62 0.34 2.13 0.00 -0.18 -0.21 121.76 121.23 2k5h s ALA 68 Ca 0.47 0.65 0.10 0.00 0.00 0.00 0.00 51.96 53.18 2k5h s ALA 68 Cb -0.11 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 2k5h s ALA 68 CO 0.25 -0.13 -0.10 0.99 0.00 0.00 0.00 175.76 176.77 2k5h s THR 69 N -0.00 2.29 0.17 0.00 2.01 0.11 -0.55 115.64 119.67 2k5h s THR 69 Ca -0.01 -2.21 -0.24 0.00 0.31 0.00 0.00 61.69 59.53 2k5h s THR 69 Cb -0.02 -2.63 0.06 0.00 0.01 0.00 0.00 72.50 69.92 2k5h s THR 69 CO 0.01 -0.22 0.94 -0.55 -0.69 0.00 0.00 174.62 174.11 2k5h s SER 70 N -3.61 -0.17 0.05 3.53 0.15 -1.26 -2.37 113.70 110.02 2k5h s SER 70 Ca 0.32 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.76 2k5h s SER 70 Cb 0.02 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.89 2k5h s SER 70 CO 0.17 -0.95 1.03 0.61 1.20 0.00 0.00 173.24 175.30 2k5h n GLY 71 N -0.48 -1.21 3.84 9.45 0.00 -1.26 -3.55 105.19 111.97 2k5h n GLY 71 Ca -0.06 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.20 3.01 -0.37 2.61 2.01 -1.26 -4.72 115.64 113.72 2k5h s THR 72 Ca 0.04 -1.43 -0.20 0.00 0.31 0.00 0.00 61.69 60.41 2k5h s THR 72 Cb 0.14 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.59 2k5h s THR 72 CO 0.80 -0.09 0.61 -0.69 -0.69 0.00 0.00 174.62 174.56 2k5h s VAL 73 N -2.41 4.90 -0.18 3.82 1.01 -1.26 -4.47 120.40 121.81 2k5h s VAL 73 Ca 0.43 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.78 2k5h s VAL 73 Cb -0.04 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2k5h s VAL 73 CO 0.26 -0.35 0.09 -0.76 0.00 0.00 0.00 175.10 174.35 2k5h s LEU 74 N 2.67 4.02 0.44 3.92 1.43 -0.46 -4.97 118.68 125.71 2k5h s LEU 74 Ca 0.23 0.18 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 2k5h s LEU 74 Cb -0.15 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2k5h s LEU 74 CO 0.15 0.21 0.60 -0.62 0.23 0.00 0.00 176.35 176.92 2k5h s ASP 75 N 0.17 5.59 0.03 2.29 -1.08 -1.26 -0.99 116.67 121.42 2k5h s ASP 75 Ca 0.07 -0.46 -0.29 0.00 -0.52 0.00 0.00 52.55 51.35 2k5h s ASP 75 Cb -0.12 -0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 40.75 2k5h s ASP 75 CO -0.00 -0.84 0.92 -0.69 0.52 0.00 0.00 175.17 175.08 2k5h s VAL 76 N -2.39 4.77 0.00 1.11 1.01 -1.26 -3.37 120.40 120.26 2k5h s VAL 76 Ca 0.56 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.48 2k5h s VAL 76 Cb -0.10 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2k5h s VAL 76 CO 0.34 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2k5h n GLY 77 N 2.68 1.35 3.84 4.51 0.00 -0.76 -5.04 105.19 111.76 2k5h n GLY 77 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.67 1.42 -0.00 1.61 0.41 -1.22 -4.80 118.70 115.45 2k5h s GLU 78 Ca 0.00 0.18 0.07 0.00 -0.41 0.00 0.00 54.97 54.81 2k5h s GLU 78 Cb 0.00 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.44 2k5h s GLU 78 CO 0.00 -1.98 -0.21 -1.21 -0.49 0.00 0.00 175.26 171.36 2k5h s GLU 79 N -5.43 2.15 0.24 1.61 2.02 -1.26 -0.44 118.70 117.59 2k5h s GLU 79 Ca 0.64 -0.91 0.09 0.00 0.02 0.00 0.00 54.97 54.80 2k5h s GLU 79 Cb -0.13 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.91 2k5h s GLU 79 CO 0.52 0.56 -0.16 0.14 0.02 0.00 0.00 175.26 176.34 2k5h s VAL 80 N -0.74 1.98 -0.16 2.63 -7.23 0.17 -0.80 120.40 116.24 2k5h s VAL 80 Ca 0.12 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.99 2k5h s VAL 80 Cb -0.10 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2k5h s VAL 80 CO 0.01 -0.51 -0.07 -0.44 -0.31 0.00 0.00 175.10 173.78 2k5h s SER 81 N -3.39 4.40 -0.36 4.85 0.01 0.04 -0.03 113.70 119.21 2k5h s SER 81 Ca 0.26 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.96 2k5h s SER 81 Cb -0.02 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2k5h s SER 81 CO 0.10 0.12 1.43 -0.69 0.41 0.00 0.00 173.24 174.61 2k5h s VAL 82 N 0.62 3.91 -0.17 3.43 1.01 -0.61 -2.04 120.40 126.55 2k5h s VAL 82 Ca -0.04 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 2k5h s VAL 82 Cb -0.15 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 31.93 2k5h s VAL 82 CO 0.03 -0.61 0.41 0.11 0.00 0.00 0.00 175.10 175.03 2k5h h LYS 83 N 10.49 0.00 -3.45 2.72 1.79 -1.23 -1.07 116.57 125.83 2k5h h LYS 83 Ca -0.28 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 2k5h h LYS 83 Cb 1.11 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.68 2k5h h LYS 83 CO 1.06 0.86 -0.02 0.00 -1.08 0.00 0.00 179.45 180.26 2k5h s ALA 84 N -2.34 -0.59 -0.18 3.86 0.00 -0.95 -4.75 121.76 116.80 2k5h s ALA 84 Ca -0.22 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 2k5h s ALA 84 Cb 0.01 0.97 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2k5h s ALA 84 CO 0.56 -0.87 -0.03 0.42 0.00 0.00 0.00 175.76 175.84 2k5h s ILE 85 N -3.96 3.79 -2.32 0.00 -1.09 -1.26 -0.20 121.20 116.15 2k5h s ILE 85 Ca 0.17 -0.38 0.22 0.00 -2.23 0.00 0.00 60.65 58.44 2k5h s ILE 85 Cb -0.02 -2.69 0.48 0.00 -1.58 0.00 0.00 42.46 38.65 2k5h s ILE 85 CO 0.06 0.45 1.45 -1.84 -1.23 0.00 0.00 174.94 173.83 2k5h n GLU 86 N 4.06 2.45 0.00 2.79 0.28 -0.81 -4.92 120.64 124.49 2k5h n GLU 86 Ca -0.17 -2.21 0.00 0.00 -0.16 0.00 0.00 57.16 54.62 2k5h n GLU 86 Cb 0.52 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 1.49 1.45 0.13 -1.84 0.00 -1.26 -4.65 105.19 100.51 2k5h n GLY 87 Ca 0.20 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.52 2k5h n GLY 87 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2k5h h VAL 88 N 0.00 0.00 -1.43 1.61 3.04 -1.98 -3.46 116.25 114.04 2k5h h VAL 88 Ca 0.00 -0.58 -0.62 0.00 -1.01 0.00 0.00 66.70 64.49 2k5h h VAL 88 Cb 0.00 1.57 -0.13 0.00 -2.01 0.00 0.00 31.29 30.72 2k5h h VAL 88 CO 0.00 0.00 -0.52 -0.54 -1.01 0.00 0.00 177.57 175.50 2k5h s LYS 89 N -3.12 2.07 0.13 4.17 1.02 -1.26 -4.53 119.74 118.22 2k5h s LYS 89 Ca 0.10 -2.30 0.11 0.00 0.02 0.00 0.00 55.97 53.90 2k5h s LYS 89 Cb 0.11 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2k5h s LYS 89 CO 0.61 -0.41 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.86 2k5h s LEU 90 N -3.75 2.33 -0.39 3.17 1.43 0.70 -1.93 118.68 120.23 2k5h s LEU 90 Ca 0.14 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 2k5h s LEU 90 Cb 0.02 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 45.09 2k5h s LEU 90 CO 0.09 0.16 0.25 -0.69 0.23 0.00 0.00 176.35 176.39 2k5h s VAL 91 N -1.13 4.86 0.22 -1.59 1.01 0.71 0.09 120.40 124.57 2k5h s VAL 91 Ca 0.14 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.39 2k5h s VAL 91 Cb -0.10 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2k5h s VAL 91 CO 0.06 -0.29 -0.16 0.68 0.00 0.00 0.00 175.10 175.39 2k5h s VAL 92 N 1.60 1.89 0.18 2.92 -7.23 -1.00 -0.64 120.40 118.13 2k5h s VAL 92 Ca 0.03 -2.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 2k5h s VAL 92 Cb -0.19 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 2k5h s VAL 92 CO 0.08 -0.54 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.67 2k5h s GLU 93 N -3.55 1.18 0.12 4.82 2.02 -0.87 -4.55 118.70 117.87 2k5h s GLU 93 Ca 0.23 -1.55 -0.31 0.00 0.02 0.00 0.00 54.97 53.37 2k5h s GLU 93 Cb -0.02 -0.59 -0.07 0.00 0.10 0.00 0.00 34.13 33.54 2k5h s GLU 93 CO 0.08 -0.01 1.31 0.21 0.02 0.00 0.00 175.26 176.87 2k5h s LYS 94 N -3.81 4.38 0.23 1.61 2.20 -1.26 -0.78 119.74 122.31 2k5h s LYS 94 Ca 0.22 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.50 2k5h s LYS 94 Cb 0.04 -3.26 -0.10 0.00 -1.51 0.00 0.00 37.83 33.00 2k5h s LYS 94 CO 0.04 -0.33 1.42 -1.17 -0.36 0.00 0.00 175.35 174.95 2k5h s LEU 95 N 0.77 4.39 -0.85 5.43 1.98 0.02 -4.78 118.68 125.63 2k5h s LEU 95 Ca 0.61 2.61 -0.23 0.00 -2.89 0.00 0.00 54.13 54.23 2k5h s LEU 95 Cb -0.34 -3.62 0.07 0.00 0.66 0.00 0.00 46.19 42.96 2k5h s LEU 95 CO 0.32 -0.67 1.22 -1.61 -1.89 0.00 0.00 176.35 173.72 2k5h s GLU 96 N -0.23 3.39 -0.79 1.98 2.02 -1.26 -4.92 118.70 118.87 2k5h s GLU 96 Ca 0.59 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 54.41 2k5h s GLU 96 Cb -0.41 -4.72 0.15 0.00 0.10 0.00 0.00 34.13 29.25 2k5h s GLU 96 CO 0.42 -2.00 0.89 -2.00 0.02 0.00 0.00 175.26 172.58 2k5h s GLU 97 N 4.40 3.43 0.34 1.61 2.56 -1.26 -5.04 118.70 124.73 2k5h s GLU 97 Ca 0.35 -1.82 0.01 0.00 0.00 0.00 0.00 54.97 53.50 2k5h s GLU 97 Cb -0.07 -4.56 -0.03 0.00 2.00 0.00 0.00 34.13 31.47 2k5h s GLU 97 CO 0.01 -1.56 0.54 -0.65 -0.56 0.00 0.00 175.26 173.03 2k5h s GLN 98 N 1.95 3.49 2.22 4.30 -0.21 -1.26 -4.96 119.66 125.19 2k5h s GLN 98 Ca 0.22 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.25 2k5h s GLN 98 Cb -0.12 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.21 2k5h s GLN 98 CO -0.04 0.17 0.00 1.63 -2.12 0.00 0.00 175.29 174.92 2k5h n LYS 99 N -1.74 0.00 -2.26 2.91 5.02 -1.26 -5.05 118.16 115.78 2k5h n LYS 99 Ca -0.05 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.25 2k5h n LYS 99 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.57 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5h n GLY 100 N 0.00 0.51 3.86 0.72 0.00 -1.26 -5.28 105.19 103.74 2k5h n GLY 100 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76