#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs n GLU 10 N 0.00 -5.08 -3.80 1.64 4.71 -1.26 -5.00 120.64 111.85 2kbs n GLU 10 Ca 0.00 3.71 -0.32 0.00 -0.01 0.00 0.00 57.16 60.53 2kbs n GLU 10 Cb 0.00 -4.73 -0.05 0.00 -1.01 0.00 0.00 31.44 25.65 2kbs n GLU 10 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2kbs s LYS 11 N -0.65 3.53 -0.01 3.49 2.20 0.34 -4.95 119.74 123.69 2kbs s LYS 11 Ca -0.03 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2kbs s LYS 11 Cb 0.00 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 2kbs s LYS 11 CO 0.09 0.59 0.09 0.21 -0.36 0.00 0.00 175.35 175.97 2kbs s LYS 12 N -2.28 3.10 -0.04 4.03 2.47 -1.26 -0.65 119.74 125.11 2kbs s LYS 12 Ca 0.34 -0.46 -0.12 0.00 -1.56 0.00 0.00 55.97 54.17 2kbs s LYS 12 Cb -0.13 -2.88 0.02 0.00 -1.46 0.00 0.00 37.83 33.38 2kbs s LYS 12 CO 0.23 0.65 0.26 0.08 0.16 0.00 0.00 175.35 176.74 2kbs s VAL 13 N -1.19 0.04 -0.06 4.02 1.01 -0.16 -4.88 120.40 119.18 2kbs s VAL 13 Ca 0.23 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2kbs s VAL 13 Cb -0.12 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.78 2kbs s VAL 13 CO 0.14 -0.20 0.02 0.72 0.00 0.00 0.00 175.10 175.77 2kbs s PHE 14 N -0.87 0.45 -0.28 5.22 -0.71 -1.26 -0.04 117.98 120.49 2kbs s PHE 14 Ca -0.09 -0.02 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 2kbs s PHE 14 Cb -0.05 -0.67 -0.02 0.00 -1.21 0.00 0.00 43.02 41.07 2kbs s PHE 14 CO 0.02 -0.27 0.11 0.42 -1.34 0.00 0.00 175.22 174.17 2kbs s ILE 15 N 1.97 4.48 -0.10 -4.49 -1.09 -0.74 -4.88 121.20 116.35 2kbs s ILE 15 Ca 0.04 -0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 2kbs s ILE 15 Cb -0.12 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 2kbs s ILE 15 CO -0.04 0.19 -0.17 -0.55 -1.23 0.00 0.00 174.94 173.15 2kbs s SER 16 N 1.61 2.50 0.39 3.58 0.15 -1.26 -1.27 113.70 119.40 2kbs s SER 16 Ca 0.05 -0.45 -0.24 0.00 0.70 0.00 0.00 55.95 56.02 2kbs s SER 16 Cb -0.16 -1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.93 2kbs s SER 16 CO 0.05 0.04 1.03 -0.22 1.20 0.00 0.00 173.24 175.35 2kbs s LEU 17 N 0.84 4.15 -0.09 3.45 2.96 -1.26 -4.97 118.68 123.76 2kbs s LEU 17 Ca -0.09 2.00 0.21 0.00 -0.22 0.00 0.00 54.13 56.02 2kbs s LEU 17 Cb -0.15 -4.18 0.43 0.00 0.50 0.00 0.00 46.19 42.79 2kbs s LEU 17 CO 0.01 -0.44 1.18 0.52 -1.32 0.00 0.00 176.35 176.30 2kbs n VAL 18 N -0.03 0.80 0.00 1.68 0.31 -1.26 -4.97 118.33 114.86 2kbs n VAL 18 Ca 0.05 -1.89 0.00 0.00 -0.01 0.00 0.00 64.34 62.49 2kbs n VAL 18 Cb 0.50 0.61 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbs n GLY 19 N -0.08 0.34 1.42 2.92 0.00 -1.26 -4.86 105.19 103.67 2kbs n GLY 19 Ca 0.11 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 2kbs n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbs n SER 20 N 0.00 3.18 -4.18 1.61 7.64 -1.26 -4.93 113.62 115.68 2kbs n SER 20 Ca 0.00 -3.79 -0.36 0.00 1.01 0.00 0.00 58.87 55.74 2kbs n SER 20 Cb 0.00 -0.64 -0.13 0.00 -1.01 0.00 0.00 64.21 62.43 2kbs n SER 20 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kbs s ARG 21 N -3.34 2.36 0.00 1.43 1.81 -1.26 -5.04 118.95 114.91 2kbs s ARG 21 Ca 0.48 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 2kbs s ARG 21 Cb 0.42 -3.34 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 2kbs s ARG 21 CO 0.01 -0.74 0.30 0.41 -0.68 0.00 0.00 175.30 174.60 2kbs n GLY 22 N 4.65 -2.71 2.05 -3.53 0.00 -1.26 -4.50 105.19 99.88 2kbs n GLY 22 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2kbs n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kbs n LEU 23 N -0.34 -0.87 0.00 0.99 7.94 -1.26 -4.75 117.00 118.71 2kbs n LEU 23 Ca 0.00 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 2kbs n LEU 23 Cb 0.00 0.99 0.00 0.00 0.53 0.00 0.00 43.42 44.94 2kbs n LEU 23 CO 0.00 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.47 2kbs n GLY 24 N 0.22 1.32 3.06 -3.96 0.00 -1.26 -0.03 105.19 104.54 2kbs n GLY 24 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2kbs n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbs s SER 26 N -2.36 4.36 0.00 0.00 0.01 -1.09 -4.99 113.70 109.63 2kbs s SER 26 Ca -0.02 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.99 2kbs s SER 26 Cb 0.01 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.17 2kbs s SER 26 CO -0.07 -0.72 -0.02 0.27 0.41 0.00 0.00 173.24 173.11 2kbs s ILE 27 N -2.70 0.13 0.18 1.44 -4.36 -1.26 -0.11 121.20 114.51 2kbs s ILE 27 Ca 0.32 -0.19 0.04 0.00 -0.26 0.00 0.00 60.65 60.56 2kbs s ILE 27 Cb 0.03 -0.14 -0.05 0.00 1.25 0.00 0.00 42.46 43.55 2kbs s ILE 27 CO 0.18 -0.04 -0.08 -0.94 0.24 0.00 0.00 174.94 174.30 2kbs s SER 28 N -0.24 1.87 -0.00 4.36 1.04 -0.69 -4.80 113.70 115.24 2kbs s SER 28 Ca -0.02 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.34 2kbs s SER 28 Cb -0.02 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2kbs s SER 28 CO -0.00 -0.37 0.06 -0.55 0.98 0.00 0.00 173.24 173.36 2kbs s SER 29 N -3.22 5.55 0.79 7.02 0.15 -1.26 0.37 113.70 123.10 2kbs s SER 29 Ca 0.21 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.93 2kbs s SER 29 Cb 0.03 -1.57 0.15 0.00 -1.71 0.00 0.00 66.02 62.93 2kbs s SER 29 CO 0.03 0.28 1.08 -0.83 1.20 0.00 0.00 173.24 175.00 2kbs s GLY 30 N -1.69 1.76 0.00 9.45 0.00 -1.21 -4.94 107.32 110.70 2kbs s GLY 30 Ca 0.22 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2kbs s GLY 30 CO 0.13 -1.01 0.00 -1.55 0.00 0.00 0.00 173.10 170.66 2kbs n PRO 31 N -3.08 -0.52 0.19 2.90 -0.04 -1.26 -4.46 135.00 128.73 2kbs n PRO 31 Ca 0.16 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.67 2kbs n PRO 31 Cb 0.60 0.00 0.34 0.00 -0.04 0.00 0.00 33.50 34.41 2kbs n PRO 31 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2kbs h ILE 32 N -1.25 0.96 -0.00 0.52 5.03 -1.99 -1.06 117.51 119.72 2kbs h ILE 32 Ca 0.00 -1.51 -0.10 0.00 -0.12 0.00 0.00 64.86 63.13 2kbs h ILE 32 Cb 0.00 1.90 -0.01 0.00 -3.03 0.00 0.00 36.82 35.67 2kbs h ILE 32 CO 0.00 0.38 -0.49 1.56 -0.68 0.00 0.00 178.15 178.92 2kbs h GLN 33 N 0.00 0.01 -1.05 2.37 7.50 -2.05 -3.37 115.11 118.52 2kbs h GLN 33 Ca -0.00 -0.01 -0.39 0.00 0.50 0.00 0.00 58.65 58.75 2kbs h GLN 33 Cb 0.87 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.12 2kbs h GLN 33 CO 0.05 0.50 -0.82 1.17 -1.50 0.00 0.00 178.83 178.23 2kbs n LYS 34 N -3.96 0.78 -2.55 1.46 4.81 -1.11 -5.13 118.16 112.46 2kbs n LYS 34 Ca -0.02 -2.54 -0.40 0.00 -0.87 0.00 0.00 58.31 54.48 2kbs n LYS 34 Cb 0.51 -1.34 -0.05 0.00 0.02 0.00 0.00 35.03 34.17 2kbs n LYS 34 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kbs s PRO 35 N -0.43 4.69 0.00 1.64 0.04 -0.42 -4.01 135.00 136.52 2kbs s PRO 35 Ca 0.33 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2kbs s PRO 35 Cb 0.22 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2kbs s PRO 35 CO -0.16 0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2kbs n GLY 36 N 1.25 -2.75 3.58 0.56 0.00 -1.26 -4.90 105.19 101.67 2kbs n GLY 36 Ca -0.01 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 2kbs n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbs s ILE 37 N -2.03 4.80 0.52 -0.61 -1.09 -1.26 -3.29 121.20 118.24 2kbs s ILE 37 Ca 0.00 0.81 0.05 0.00 -2.23 0.00 0.00 60.65 59.28 2kbs s ILE 37 Cb 0.00 -4.15 0.02 0.00 -1.58 0.00 0.00 42.46 36.75 2kbs s ILE 37 CO 0.00 -0.36 0.34 -0.36 -1.23 0.00 0.00 174.94 173.32 2kbs s PHE 38 N 2.93 1.85 -0.11 3.97 0.40 0.16 -1.98 117.98 125.20 2kbs s PHE 38 Ca 0.29 -0.79 -0.02 0.00 -0.60 0.00 0.00 56.93 55.80 2kbs s PHE 38 Cb -0.14 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2kbs s PHE 38 CO 0.15 -0.30 -0.01 0.42 0.70 0.00 0.00 175.22 176.18 2kbs s ILE 39 N -2.74 4.18 0.00 0.64 -1.09 0.26 -1.70 121.20 120.75 2kbs s ILE 39 Ca 0.33 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.47 2kbs s ILE 39 Cb -0.01 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2kbs s ILE 39 CO 0.20 0.56 0.00 -0.24 -1.23 0.00 0.00 174.94 174.24 2kbs n SER 40 N 2.61 0.63 -4.48 3.58 2.88 0.84 -3.26 113.62 116.42 2kbs n SER 40 Ca -0.18 -0.93 -0.46 0.00 -1.33 0.00 0.00 58.87 55.97 2kbs n SER 40 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.97 2kbs n SER 40 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2kbs n HIS 41 N -0.64 0.15 -4.39 0.66 -0.00 -1.26 -3.99 115.22 105.75 2kbs n HIS 41 Ca 0.00 0.83 -0.25 0.00 -0.00 0.00 0.00 57.72 58.30 2kbs n HIS 41 Cb 0.00 -2.07 -0.10 0.00 -0.00 0.00 0.00 29.99 27.82 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2kbs s VAL 42 N -1.08 2.78 -0.20 3.57 1.01 -1.26 -2.68 120.40 122.54 2kbs s VAL 42 Ca 0.62 -2.11 -0.10 0.00 0.00 0.00 0.00 61.98 60.39 2kbs s VAL 42 Cb -0.81 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2kbs s VAL 42 CO 0.58 -0.29 0.14 -0.54 0.00 0.00 0.00 175.10 174.99 2kbs s LYS 43 N -3.27 4.19 0.14 2.72 -0.14 0.31 -4.98 119.74 118.71 2kbs s LYS 43 Ca 0.28 -0.20 -0.20 0.00 -1.36 0.00 0.00 55.97 54.49 2kbs s LYS 43 Cb -0.06 -3.43 -0.00 0.00 -1.68 0.00 0.00 37.83 32.66 2kbs s LYS 43 CO 0.15 0.29 1.69 -1.35 -0.76 0.00 0.00 175.35 175.37 2kbs h PRO 44 N 6.70 -0.03 -3.77 -1.68 0.11 -1.98 -3.26 132.00 128.10 2kbs h PRO 44 Ca -0.41 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 64.93 2kbs h PRO 44 Cb 1.15 0.01 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 2kbs h PRO 44 CO 0.76 -0.02 1.18 0.41 -0.21 0.00 0.00 178.00 180.12 2kbs n GLY 45 N -1.24 4.30 3.74 -0.55 0.00 -1.26 -4.65 105.19 105.54 2kbs n GLY 45 Ca -0.02 -2.31 -0.08 0.00 0.00 0.00 0.00 46.02 43.61 2kbs n GLY 45 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kbs n SER 46 N 3.56 -2.23 -0.12 1.61 2.88 -1.23 -5.02 113.62 113.08 2kbs n SER 46 Ca 0.32 -2.51 -0.12 0.00 -1.33 0.00 0.00 58.87 55.23 2kbs n SER 46 Cb 0.38 3.70 -0.03 0.00 -0.75 0.00 0.00 64.21 67.52 2kbs n SER 46 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kbs h LEU 47 N 0.00 0.84 -0.76 2.46 3.38 -0.77 -2.33 115.31 118.13 2kbs h LEU 47 Ca -0.33 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.34 2kbs h LEU 47 Cb 1.22 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2kbs h LEU 47 CO 0.42 1.08 0.35 0.77 0.09 0.00 0.00 178.44 181.15 2kbs h SER 48 N 0.59 0.41 -0.15 -0.43 4.64 -1.17 0.15 113.55 117.60 2kbs h SER 48 Ca 0.07 0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 2kbs h SER 48 Cb 0.80 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2kbs h SER 48 CO 0.06 0.20 -0.37 0.00 -0.87 0.00 0.00 176.83 175.85 2kbs h ALA 49 N 1.50 0.80 -0.70 5.18 0.00 -1.67 0.60 119.26 124.97 2kbs h ALA 49 Ca 0.40 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kbs h ALA 49 Cb 0.53 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2kbs h ALA 49 CO -0.34 0.65 0.46 0.93 0.00 0.00 0.00 179.25 180.95 2kbs h GLU 50 N 0.55 0.87 0.00 0.00 5.08 -0.45 -2.08 114.58 118.56 2kbs h GLU 50 Ca 0.05 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 2kbs h GLU 50 Cb 0.89 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2kbs h GLU 50 CO 0.08 0.58 -1.06 -0.39 -1.00 0.00 0.00 179.01 177.22 2kbs h VAL 51 N 0.90 0.80 0.00 3.13 -1.51 -1.05 -3.48 116.25 115.04 2kbs h VAL 51 Ca 0.27 -2.30 0.00 0.00 -1.23 0.00 0.00 66.70 63.44 2kbs h VAL 51 Cb -0.02 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2kbs h VAL 51 CO -0.07 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 177.34 2kbs n GLY 52 N 1.34 1.01 3.76 5.19 0.00 -0.40 -4.99 105.19 111.10 2kbs n GLY 52 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2kbs n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kbs s LEU 53 N 0.00 4.39 0.15 0.99 1.43 0.20 -4.99 118.68 120.84 2kbs s LEU 53 Ca 0.00 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2kbs s LEU 53 Cb 0.00 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2kbs s LEU 53 CO 0.00 0.09 0.31 -1.61 0.23 0.00 0.00 176.35 175.37 2kbs s GLU 54 N -0.05 1.11 0.60 1.70 0.41 -1.26 -4.52 118.70 116.69 2kbs s GLU 54 Ca 0.30 -1.02 -0.20 0.00 -0.41 0.00 0.00 54.97 53.65 2kbs s GLU 54 Cb -0.17 0.40 -0.03 0.00 -1.78 0.00 0.00 34.13 32.55 2kbs s GLU 54 CO 0.16 -0.41 1.25 -0.89 -0.49 0.00 0.00 175.26 174.88 2kbs n ILE 55 N -0.20 4.30 0.00 -1.63 5.41 -1.26 -2.79 119.36 123.20 2kbs n ILE 55 Ca -0.11 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.14 2kbs n ILE 55 Cb 0.63 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 2kbs n ILE 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kbs n GLY 56 N 0.94 3.33 3.74 7.39 0.00 -1.20 -4.91 105.19 114.47 2kbs n GLY 56 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2kbs n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbs s ASP 57 N -0.48 4.03 -0.12 1.61 1.11 -1.12 0.12 116.67 121.82 2kbs s ASP 57 Ca 0.00 1.71 -0.04 0.00 0.18 0.00 0.00 52.55 54.41 2kbs s ASP 57 Cb 0.00 -2.39 0.05 0.00 1.07 0.00 0.00 42.92 41.65 2kbs s ASP 57 CO 0.00 -2.32 0.12 -1.58 1.18 0.00 0.00 175.17 172.57 2kbs s GLN 58 N -4.90 0.04 -0.16 8.23 -0.44 -1.23 -0.58 119.66 120.62 2kbs s GLN 58 Ca 0.62 0.21 -0.29 0.00 -2.50 0.00 0.00 55.36 53.40 2kbs s GLN 58 Cb -0.18 -1.08 -0.03 0.00 -1.64 0.00 0.00 33.01 30.08 2kbs s GLN 58 CO 0.57 -0.51 1.60 0.42 0.50 0.00 0.00 175.29 177.87 2kbs s ILE 59 N 2.21 3.71 -2.18 -2.34 1.01 -0.84 -2.32 121.20 120.46 2kbs s ILE 59 Ca 0.04 0.83 0.20 0.00 0.00 0.00 0.00 60.65 61.71 2kbs s ILE 59 Cb -0.14 -3.65 0.30 0.00 0.01 0.00 0.00 42.46 38.98 2kbs s ILE 59 CO -0.07 -0.20 1.25 1.33 0.00 0.00 0.00 174.94 177.25 2kbs n VAL 60 N 6.01 0.37 -3.62 2.92 0.24 0.77 -4.55 118.33 120.47 2kbs n VAL 60 Ca 0.18 -0.68 -0.04 0.00 -2.04 0.00 0.00 64.34 61.75 2kbs n VAL 60 Cb 0.44 1.08 -0.04 0.00 -1.47 0.00 0.00 33.84 33.85 2kbs n VAL 60 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2kbs s GLU 61 N -1.41 0.22 -0.27 7.34 2.12 -0.80 -3.54 118.70 122.36 2kbs s GLU 61 Ca 0.30 0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.64 2kbs s GLU 61 Cb 0.18 0.10 0.15 0.00 0.26 0.00 0.00 34.13 34.82 2kbs s GLU 61 CO 0.26 -0.07 0.39 0.08 -0.54 0.00 0.00 175.26 175.37 2kbs s VAL 62 N -1.30 -0.61 -1.59 3.70 1.01 -0.89 -0.48 120.40 120.24 2kbs s VAL 62 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2kbs s VAL 62 Cb -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2kbs s VAL 62 CO -0.05 -0.21 0.00 -3.20 0.00 0.00 0.00 175.10 171.64 2kbs n ASN 63 N 5.36 -5.35 0.00 3.32 2.85 0.30 -1.01 115.26 120.73 2kbs n ASN 63 Ca -0.02 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2kbs n ASN 63 Cb 0.50 -4.48 0.00 0.00 1.24 0.00 0.00 39.78 37.04 2kbs n ASN 63 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kbs n GLY 64 N -0.95 3.08 3.68 8.20 0.00 -1.26 -5.03 105.19 112.91 2kbs n GLY 64 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2kbs n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kbs n VAL 65 N -0.34 0.54 -2.07 1.61 0.31 -0.18 -4.89 118.33 113.32 2kbs n VAL 65 Ca 0.00 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.80 2kbs n VAL 65 Cb 0.00 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 30.73 2kbs n VAL 65 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2kbs s ASP 66 N 3.49 6.11 0.00 4.52 1.01 -1.26 -2.09 116.67 128.44 2kbs s ASP 66 Ca 0.85 1.38 0.27 0.00 0.71 0.00 0.00 52.55 55.77 2kbs s ASP 66 Cb -0.48 -2.53 0.90 0.00 1.01 0.00 0.00 42.92 41.82 2kbs s ASP 66 CO 0.40 -1.52 1.66 0.49 0.21 0.00 0.00 175.17 176.41 2kbs n PHE 67 N 9.48 0.00 -0.30 4.23 3.01 -1.23 -3.75 117.46 128.90 2kbs n PHE 67 Ca 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.63 2kbs n PHE 67 Cb 0.46 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 39.96 2kbs n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2kbs h SER 68 N 1.83 0.94 -0.09 4.37 0.87 -1.86 -3.14 113.55 116.47 2kbs h SER 68 Ca 0.00 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 2kbs h SER 68 Cb 0.51 -0.23 -0.16 0.00 -0.44 0.00 0.00 62.40 62.07 2kbs h SER 68 CO 0.00 0.67 -0.70 -3.20 -0.53 0.00 0.00 176.83 173.07 2kbs n ASN 69 N -4.52 1.83 -4.85 6.23 2.85 -1.26 -4.83 115.26 110.71 2kbs n ASN 69 Ca 0.09 -3.30 -0.34 0.00 -0.11 0.00 0.00 54.58 50.92 2kbs n ASN 69 Cb 0.03 -0.45 -0.06 0.00 1.24 0.00 0.00 39.78 40.54 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kbs s LEU 70 N -2.43 4.22 0.61 1.20 2.96 -1.19 -5.08 118.68 118.98 2kbs s LEU 70 Ca 0.38 1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 55.32 2kbs s LEU 70 Cb 0.38 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 2kbs s LEU 70 CO -0.08 -0.03 0.99 -0.62 -1.32 0.00 0.00 176.35 175.29 2kbs s ASP 71 N -2.03 6.01 0.10 3.68 2.15 -1.26 -4.61 116.67 120.70 2kbs s ASP 71 Ca 0.45 1.21 -0.23 0.00 0.43 0.00 0.00 52.55 54.41 2kbs s ASP 71 Cb -0.13 -2.24 -0.13 0.00 -0.30 0.00 0.00 42.92 40.12 2kbs s ASP 71 CO 0.20 -0.94 1.72 -0.74 -0.17 0.00 0.00 175.17 175.24 2kbs h HIS 72 N -0.29 -0.09 -1.00 -5.34 6.17 -1.98 -1.22 115.15 111.40 2kbs h HIS 72 Ca -0.45 0.00 0.02 0.00 0.71 0.00 0.00 60.37 60.65 2kbs h HIS 72 Cb 1.21 0.04 -0.05 0.00 2.52 0.00 0.00 27.41 31.13 2kbs h HIS 72 CO 0.60 -0.06 0.66 0.87 0.71 0.00 0.00 177.93 180.71 2kbs h LYS 73 N -0.07 1.29 -0.61 5.26 1.57 -1.99 -2.22 116.57 119.79 2kbs h LYS 73 Ca 0.02 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2kbs h LYS 73 Cb 0.09 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2kbs h LYS 73 CO -0.04 0.85 0.33 0.93 -0.57 0.00 0.00 179.45 180.95 2kbs h GLU 74 N 1.33 0.86 -0.54 3.15 3.07 -1.85 0.19 114.58 120.78 2kbs h GLU 74 Ca 0.38 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2kbs h GLU 74 Cb -0.10 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.62 2kbs h GLU 74 CO -0.10 0.66 0.35 0.00 -1.40 0.00 0.00 179.01 178.53 2kbs h ALA 75 N 1.15 0.69 -0.23 3.43 0.00 -0.68 -1.55 119.26 122.07 2kbs h ALA 75 Ca 0.22 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2kbs h ALA 75 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2kbs h ALA 75 CO -0.03 0.14 -0.27 0.28 0.00 0.00 0.00 179.25 179.36 2kbs h VAL 76 N 0.74 1.32 -0.04 0.00 2.07 -1.14 -2.27 116.25 116.92 2kbs h VAL 76 Ca 0.20 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.29 2kbs h VAL 76 Cb -0.07 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2kbs h VAL 76 CO -0.04 0.45 -0.19 -1.13 0.02 0.00 0.00 177.57 176.68 2kbs h ASN 77 N 0.29 -0.58 -0.37 0.57 -1.24 -0.43 0.65 115.58 114.48 2kbs h ASN 77 Ca 0.03 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 2kbs h ASN 77 Cb 0.84 0.25 -0.02 0.00 0.73 0.00 0.00 38.32 40.12 2kbs h ASN 77 CO 0.07 -0.25 0.19 -0.37 -1.29 0.00 0.00 177.43 175.77 2kbs h VAL 78 N -0.29 1.15 -0.11 2.57 -1.51 -1.34 0.67 116.25 117.39 2kbs h VAL 78 Ca 0.07 -0.42 -0.05 0.00 -1.23 0.00 0.00 66.70 65.07 2kbs h VAL 78 Cb 0.39 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 2kbs h VAL 78 CO -0.21 0.16 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.06 2kbs h LEU 79 N 0.46 0.17 0.04 4.19 -0.00 -1.05 -2.12 115.31 116.99 2kbs h LEU 79 Ca 0.13 -0.03 -0.25 0.00 -0.00 0.00 0.00 57.88 57.72 2kbs h LEU 79 Cb 0.09 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 2kbs h LEU 79 CO -0.02 0.35 -1.26 0.11 -0.00 0.00 0.00 178.44 177.62 2kbs h LYS 80 N 0.17 0.09 0.19 1.13 6.56 0.82 -3.39 116.57 122.14 2kbs h LYS 80 Ca 0.03 -0.15 -0.01 0.00 -1.06 0.00 0.00 60.65 59.46 2kbs h LYS 80 Cb 0.39 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2kbs h LYS 80 CO 0.02 0.97 -0.09 1.03 -2.06 0.00 0.00 179.45 179.32 2kbs h SER 81 N 0.02 -0.22 -3.49 0.86 0.87 0.74 -3.43 113.55 108.91 2kbs h SER 81 Ca -0.12 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.91 2kbs h SER 81 Cb 1.89 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.88 2kbs h SER 81 CO 0.14 -0.11 0.29 -0.44 -0.53 0.00 0.00 176.83 176.17 2kbs s SER 82 N -2.91 7.36 -0.08 6.23 0.01 -0.83 -4.99 113.70 118.50 2kbs s SER 82 Ca -0.04 1.63 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 2kbs s SER 82 Cb 0.00 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.60 2kbs s SER 82 CO 0.11 -0.08 0.49 0.03 0.41 0.00 0.00 173.24 174.20 2kbs h ARG 83 N 5.91 -0.19 -4.06 12.44 3.08 -1.84 -3.42 114.38 126.30 2kbs h ARG 83 Ca -0.43 0.01 -0.76 0.00 0.07 0.00 0.00 59.98 58.87 2kbs h ARG 83 Cb 1.21 0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.06 2kbs h ARG 83 CO 0.72 0.10 -0.13 -1.12 -1.07 0.00 0.00 179.97 178.47 2kbs s SER 84 N -5.45 6.33 -0.00 7.04 0.01 -1.26 -4.03 113.70 116.33 2kbs s SER 84 Ca -0.08 -1.99 0.04 0.00 1.31 0.00 0.00 55.95 55.23 2kbs s SER 84 Cb -0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2kbs s SER 84 CO 0.28 -0.80 -0.12 -1.48 0.41 0.00 0.00 173.24 171.52 2kbs s LEU 85 N 1.31 2.05 -0.10 2.44 0.05 -0.40 -4.97 118.68 119.07 2kbs s LEU 85 Ca 0.07 -0.25 -0.16 0.00 0.05 0.00 0.00 54.13 53.84 2kbs s LEU 85 Cb -0.25 -0.58 -0.05 0.00 -2.05 0.00 0.00 46.19 43.26 2kbs s LEU 85 CO 0.00 0.12 0.40 -0.89 -0.55 0.00 0.00 176.35 175.44 2kbs s THR 86 N -0.37 5.18 -0.01 5.48 2.01 -1.26 -1.79 115.64 124.87 2kbs s THR 86 Ca 0.04 0.80 0.06 0.00 0.31 0.00 0.00 61.69 62.90 2kbs s THR 86 Cb -0.05 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2kbs s THR 86 CO -0.00 0.42 -0.19 0.27 -0.69 0.00 0.00 174.62 174.42 2kbs s ILE 87 N 0.08 1.52 -0.41 1.82 -0.00 0.94 0.11 121.20 125.26 2kbs s ILE 87 Ca 0.23 -0.83 -0.14 0.00 -0.00 0.00 0.00 60.65 59.90 2kbs s ILE 87 Cb -0.15 -1.27 0.04 0.00 -0.00 0.00 0.00 42.46 41.08 2kbs s ILE 87 CO 0.09 0.42 0.29 -0.44 -0.00 0.00 0.00 174.94 175.31 2kbs s SER 88 N -0.47 6.01 0.06 4.36 0.01 0.37 -0.99 113.70 123.05 2kbs s SER 88 Ca 0.07 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.36 2kbs s SER 88 Cb -0.07 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 2kbs s SER 88 CO -0.01 -0.48 -0.10 -0.51 0.41 0.00 0.00 173.24 172.55 2kbs s ILE 89 N 1.63 3.38 -0.18 1.44 -1.16 0.17 -0.16 121.20 126.32 2kbs s ILE 89 Ca 0.04 -1.10 -0.01 0.00 -0.51 0.00 0.00 60.65 59.07 2kbs s ILE 89 Cb -0.20 -2.52 -0.00 0.00 0.61 0.00 0.00 42.46 40.34 2kbs s ILE 89 CO 0.08 0.23 -0.12 -0.69 -2.81 0.00 0.00 174.94 171.64 2kbs s VAL 90 N -1.11 2.86 0.26 4.00 1.01 -0.98 0.13 120.40 126.57 2kbs s VAL 90 Ca 0.19 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.18 2kbs s VAL 90 Cb -0.11 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.92 2kbs s VAL 90 CO 0.11 0.49 1.50 0.00 0.00 0.00 0.00 175.10 177.20 2kbs s ALA 91 N 1.05 3.68 0.00 5.51 0.00 -1.26 -2.28 121.76 128.45 2kbs s ALA 91 Ca -0.01 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.37 2kbs s ALA 91 Cb -0.15 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2kbs s ALA 91 CO -0.03 -0.83 0.00 0.00 0.00 0.00 0.00 175.76 174.90 2kbs n ALA 92 N 2.40 0.00 0.33 0.00 0.00 -1.26 -4.85 120.51 117.13 2kbs n ALA 92 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.71 2kbs n ALA 92 Cb 0.39 0.00 1.02 0.00 0.00 0.00 0.00 19.45 20.86 2kbs n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kbs h ALA 93 N 0.00 1.19 0.00 0.00 0.00 -1.64 -2.50 119.26 116.31 2kbs h ALA 93 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2kbs h ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kbs h ALA 93 CO 0.00 -0.17 -1.52 0.41 0.00 0.00 0.00 179.25 177.97 2kbs n GLY 94 N -1.16 -0.37 0.36 0.00 0.00 0.13 -4.63 105.19 99.52 2kbs n GLY 94 Ca -0.02 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 45.98 2kbs n GLY 94 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kbs h ARG 95 N 0.00 0.50 -0.57 1.61 0.11 0.14 -2.21 114.38 113.96 2kbs h ARG 95 Ca -0.21 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 59.96 2kbs h ARG 95 Cb 1.46 -0.11 -0.11 0.00 1.11 0.00 0.00 29.97 32.32 2kbs h ARG 95 CO 0.01 0.33 -0.14 1.49 0.10 0.00 0.00 179.97 181.76 2kbs h GLU 96 N 0.52 -0.00 -0.07 0.08 4.57 -1.78 -0.41 114.58 117.48 2kbs h GLU 96 Ca 0.32 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 2kbs h GLU 96 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2kbs h GLU 96 CO -0.10 -0.00 -0.15 -0.07 -1.18 0.00 0.00 179.01 177.51 2kbs h LEU 97 N -0.00 0.26 -1.87 1.64 3.38 -1.73 -3.12 115.31 113.87 2kbs h LEU 97 Ca 0.27 -0.57 0.23 0.00 0.09 0.00 0.00 57.88 57.90 2kbs h LEU 97 Cb 0.42 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2kbs h LEU 97 CO -0.59 0.78 0.69 -0.26 0.09 0.00 0.00 178.44 179.15 2kbs h PHE 98 N -0.25 0.00 -3.76 1.13 -1.00 -0.92 -3.41 116.94 108.72 2kbs h PHE 98 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 2kbs h PHE 98 Cb 0.74 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.44 2kbs h PHE 98 CO 0.11 0.00 0.47 -1.33 -1.61 0.00 0.00 178.31 175.96 2kbs n MET 99 N -3.87 1.63 0.00 1.51 2.81 -0.23 -5.08 117.12 113.88 2kbs n MET 99 Ca 0.16 0.60 0.03 0.00 -1.81 0.00 0.00 57.70 56.68 2kbs n MET 99 Cb 0.97 -2.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.07 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89