#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 2.85 -4.19 1.64 4.71 -1.26 -3.48 120.64 120.92 2kbs n GLU 10 Ca 0.00 1.04 -0.23 0.00 -0.01 0.00 0.00 57.16 57.96 2kbs n GLU 10 Cb 0.00 -2.95 -0.06 0.00 -1.01 0.00 0.00 31.44 27.42 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 3.12 2.63 -0.01 3.49 2.20 0.34 -4.96 119.74 126.55 2kbs s LYS 11 Ca 0.83 -1.17 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 2kbs s LYS 11 Cb -0.46 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.44 2kbs s LYS 11 CO 0.38 0.40 -0.24 0.21 -0.36 0.00 0.00 175.35 175.74 2kbs s LYS 12 N -3.60 1.91 -0.03 4.03 2.20 -1.26 -0.71 119.74 122.28 2kbs s LYS 12 Ca 0.31 -0.88 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2kbs s LYS 12 Cb -0.08 -1.87 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 2kbs s LYS 12 CO 0.22 0.51 0.18 0.08 -0.36 0.00 0.00 175.35 175.98 2kbs s VAL 13 N -0.59 0.04 -0.09 4.02 1.01 0.01 -4.89 120.40 119.90 2kbs s VAL 13 Ca 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2kbs s VAL 13 Cb -0.09 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2kbs s VAL 13 CO -0.01 -0.20 -0.19 -0.36 0.00 0.00 0.00 175.10 174.34 2kbs s PHE 14 N -0.73 2.13 -0.14 5.22 0.08 -1.26 0.15 117.98 123.44 2kbs s PHE 14 Ca -0.08 -0.89 0.03 0.00 0.12 0.00 0.00 56.93 56.11 2kbs s PHE 14 Cb -0.05 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2kbs s PHE 14 CO 0.01 -0.39 -0.22 0.42 -0.10 0.00 0.00 175.22 174.94 2kbs s ILE 15 N 0.56 2.11 -0.09 0.64 -1.09 -0.94 -4.87 121.20 117.52 2kbs s ILE 15 Ca -0.15 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 2kbs s ILE 15 Cb -0.17 -1.84 0.02 0.00 -1.58 0.00 0.00 42.46 38.90 2kbs s ILE 15 CO 0.05 0.55 -0.07 -0.94 -1.23 0.00 0.00 174.94 173.30 2kbs s SER 16 N 0.75 1.90 0.90 3.58 1.04 -1.24 -1.34 113.70 119.29 2kbs s SER 16 Ca -0.08 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2kbs s SER 16 Cb -0.16 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.21 2kbs s SER 16 CO -0.00 -0.09 0.00 -0.11 0.98 0.00 0.00 173.24 174.02 2kbs n LEU 17 N 4.63 0.00 -1.41 2.42 7.94 -0.97 -4.89 117.00 124.72 2kbs n LEU 17 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2kbs n LEU 17 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2kbs n LEU 17 CO 0.18 -1.40 -0.38 0.52 -1.11 0.00 0.00 177.39 175.20 2kbs n VAL 18 N -2.81 -4.73 0.00 1.96 0.31 -1.26 -4.90 118.33 106.90 2kbs n VAL 18 Ca 0.00 2.08 0.00 0.00 -0.01 0.00 0.00 64.34 66.41 2kbs n VAL 18 Cb 0.00 -2.87 0.00 0.00 -0.91 0.00 0.00 33.84 30.06 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 -0.44 2.86 2.08 2.92 0.00 -1.26 -4.79 105.19 106.56 2kbs n GLY 19 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kbs n SER 20 N 0.11 -1.44 -1.52 1.61 2.88 -1.26 -5.09 113.62 108.91 2kbs n SER 20 Ca 0.00 0.33 -0.03 0.00 -1.33 0.00 0.00 58.87 57.84 2kbs n SER 20 Cb 0.00 1.62 0.01 0.00 -0.75 0.00 0.00 64.21 65.09 2kbs n SER 20 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kbs n ARG 21 N -2.86 0.31 0.00 -1.46 -4.01 -1.26 -5.08 116.66 102.31 2kbs n ARG 21 Ca 0.00 -0.66 0.00 0.00 -1.04 0.00 0.00 57.85 56.15 2kbs n ARG 21 Cb 0.00 0.80 0.00 0.00 -3.04 0.00 0.00 32.46 30.22 2kbs n ARG 21 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kbs n GLY 22 N -0.16 -3.21 0.71 2.89 0.00 -1.26 -4.35 105.19 99.81 2kbs n GLY 22 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.42 0.00 0.00 0.99 7.94 -1.26 -4.39 117.00 118.87 2kbs n LEU 23 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kbs n LEU 23 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2kbs n LEU 23 CO 0.00 -0.18 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 2kbs n GLY 24 N 1.34 0.86 3.09 -3.96 0.00 -1.26 0.52 105.19 105.77 2kbs n GLY 24 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.74 4.38 0.02 0.00 0.15 -1.14 -4.99 113.70 109.39 2kbs s SER 26 Ca 0.05 -1.25 -0.05 0.00 0.70 0.00 0.00 55.95 55.40 2kbs s SER 26 Cb 0.05 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2kbs s SER 26 CO -0.08 -0.72 0.09 0.27 1.20 0.00 0.00 173.24 174.00 2kbs s ILE 27 N -2.70 0.12 0.10 6.45 -4.36 -1.26 -0.05 121.20 119.50 2kbs s ILE 27 Ca 0.32 -0.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 2kbs s ILE 27 Cb 0.02 -0.68 -0.04 0.00 1.25 0.00 0.00 42.46 43.01 2kbs s ILE 27 CO 0.18 -0.53 -0.06 -0.94 0.24 0.00 0.00 174.94 173.84 2kbs s SER 28 N -1.82 1.08 0.17 4.36 1.04 -0.74 -4.82 113.70 112.96 2kbs s SER 28 Ca -0.09 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.37 2kbs s SER 28 Cb -0.04 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2kbs s SER 28 CO -0.02 -0.48 0.14 -0.44 0.98 0.00 0.00 173.24 173.42 2kbs s SER 29 N -3.04 5.55 0.00 7.02 0.01 -1.26 -0.28 113.70 121.70 2kbs s SER 29 Ca 0.12 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2kbs s SER 29 Cb 0.06 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2kbs s SER 29 CO -0.05 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2kbs n GLY 30 N -0.38 2.86 0.00 3.44 0.00 -1.23 -4.96 105.19 104.91 2kbs n GLY 30 Ca -0.08 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2kbs n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kbs n PRO 31 N -0.45 0.19 0.05 1.61 -0.04 -1.26 -4.72 135.00 130.38 2kbs n PRO 31 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2kbs n PRO 31 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 2kbs n PRO 31 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kbs n ILE 32 N -1.31 1.03 0.13 0.52 -0.00 -1.26 -2.47 119.36 116.00 2kbs n ILE 32 Ca 0.00 -0.65 -0.01 0.00 -0.00 0.00 0.00 62.75 62.09 2kbs n ILE 32 Cb 0.00 -0.63 0.15 0.00 -0.00 0.00 0.00 39.64 39.17 2kbs n ILE 32 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 2kbs h GLN 33 N 0.00 0.00 -1.29 0.38 4.20 -2.07 -3.37 115.11 112.96 2kbs h GLN 33 Ca -0.11 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.19 2kbs h GLN 33 Cb 1.41 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.88 2kbs h GLN 33 CO 0.03 0.63 -0.92 1.17 -0.67 0.00 0.00 178.83 179.08 2kbs n LYS 34 N -3.70 0.90 -2.43 1.46 4.81 -1.25 -5.13 118.16 112.82 2kbs n LYS 34 Ca -0.01 -2.81 -0.40 0.00 -0.87 0.00 0.00 58.31 54.22 2kbs n LYS 34 Cb 0.64 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 34.24 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 -1.16 4.52 0.00 1.64 0.04 -1.03 -4.28 135.00 134.73 2kbs s PRO 35 Ca 0.34 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2kbs s PRO 35 Cb 0.28 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2kbs s PRO 35 CO -0.10 0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2kbs n GLY 36 N 1.03 0.71 3.56 0.56 0.00 -1.26 -4.78 105.19 105.00 2kbs n GLY 36 Ca -0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 4.52 0.45 -0.61 -1.09 -1.26 -3.54 121.20 117.67 2kbs s ILE 37 Ca 0.00 0.70 0.08 0.00 -2.23 0.00 0.00 60.65 59.20 2kbs s ILE 37 Cb 0.00 -4.40 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 2kbs s ILE 37 CO 0.00 -0.79 0.60 -0.36 -1.23 0.00 0.00 174.94 173.16 2kbs s PHE 38 N 3.63 2.49 -0.10 3.97 0.08 0.62 -0.09 117.98 128.57 2kbs s PHE 38 Ca 0.35 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2kbs s PHE 38 Cb -0.11 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.99 2kbs s PHE 38 CO 0.25 -0.55 -0.02 0.42 -0.10 0.00 0.00 175.22 175.22 2kbs s ILE 39 N -2.43 4.15 0.00 0.64 -1.09 0.28 -1.79 121.20 120.95 2kbs s ILE 39 Ca 0.56 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2kbs s ILE 39 Cb -0.08 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 2kbs s ILE 39 CO 0.34 0.57 0.00 -0.24 -1.23 0.00 0.00 174.94 174.38 2kbs n SER 40 N 2.55 0.60 -4.40 3.58 2.88 0.93 -2.71 113.62 117.06 2kbs n SER 40 Ca -0.18 -0.94 -0.40 0.00 -1.33 0.00 0.00 58.87 56.02 2kbs n SER 40 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.66 -1.21 -4.43 0.66 -0.00 -1.26 -3.98 115.22 104.34 2kbs n HIS 41 Ca 0.00 0.53 -0.24 0.00 0.46 0.00 0.00 57.72 58.48 2kbs n HIS 41 Cb 0.00 -1.90 -0.11 0.00 -0.12 0.00 0.00 29.99 27.87 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kbs s VAL 42 N -1.67 2.27 0.24 3.57 1.01 -1.26 -2.87 120.40 121.70 2kbs s VAL 42 Ca 0.63 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2kbs s VAL 42 Cb -0.54 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2kbs s VAL 42 CO 0.59 -0.34 0.42 -0.54 0.00 0.00 0.00 175.10 175.23 2kbs s LYS 43 N -3.22 3.51 0.05 2.72 1.02 0.28 -5.00 119.74 119.09 2kbs s LYS 43 Ca 0.25 -0.39 -0.24 0.00 0.02 0.00 0.00 55.97 55.61 2kbs s LYS 43 Cb -0.05 -2.80 -0.17 0.00 -0.52 0.00 0.00 37.83 34.28 2kbs s LYS 43 CO 0.12 0.35 1.55 -1.00 -0.92 0.00 0.00 175.35 175.44 2kbs h PRO 44 N 1.63 -0.06 0.00 -1.68 0.13 -2.00 -3.33 132.00 126.70 2kbs h PRO 44 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kbs h PRO 44 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kbs h PRO 44 CO 0.66 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2kbs n GLY 45 N -0.62 0.80 7.00 1.56 0.00 -1.26 -4.56 105.19 108.10 2kbs n GLY 45 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2kbs n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbs n SER 46 N 0.00 -1.03 -0.08 1.61 3.41 -1.26 -3.62 113.62 112.65 2kbs n SER 46 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2kbs n SER 46 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2kbs n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kbs n LEU 47 N 0.00 0.00 -0.03 1.04 4.77 0.19 -4.26 117.00 118.71 2kbs n LEU 47 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2kbs n LEU 47 Cb 0.00 0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2kbs n LEU 47 CO 0.00 0.41 0.73 0.77 -1.33 0.00 0.00 177.39 177.97 2kbs h SER 48 N 0.00 -0.62 -0.43 -1.43 4.64 -0.13 -0.64 113.55 114.95 2kbs h SER 48 Ca -0.45 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2kbs h SER 48 Cb 2.02 0.30 -0.02 0.00 -0.31 0.00 0.00 62.40 64.39 2kbs h SER 48 CO 0.02 -0.24 0.20 0.00 -0.87 0.00 0.00 176.83 175.94 2kbs h ALA 49 N 0.86 1.46 -0.85 5.18 0.00 -1.67 0.33 119.26 124.58 2kbs h ALA 49 Ca 0.12 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2kbs h ALA 49 Cb 0.40 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2kbs h ALA 49 CO -0.33 0.42 0.56 0.93 0.00 0.00 0.00 179.25 180.83 2kbs h GLU 50 N 0.67 1.08 0.00 0.00 4.39 -1.35 -2.50 114.58 116.87 2kbs h GLU 50 Ca 0.16 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.59 2kbs h GLU 50 Cb 0.12 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 2kbs h GLU 50 CO -0.02 0.71 -1.05 -0.39 -1.16 0.00 0.00 179.01 177.11 2kbs h VAL 51 N 1.11 1.51 0.00 3.13 -1.51 -0.72 -3.49 116.25 116.28 2kbs h VAL 51 Ca 0.32 -3.20 0.00 0.00 -1.23 0.00 0.00 66.70 62.60 2kbs h VAL 51 Cb -0.07 2.74 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2kbs h VAL 51 CO -0.09 0.86 0.00 0.61 -1.23 0.00 0.00 177.57 177.72 2kbs n GLY 52 N 1.36 0.89 3.95 5.19 0.00 0.06 -5.03 105.19 111.61 2kbs n GLY 52 Ca -0.02 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.93 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 4.34 0.08 0.99 1.43 -0.90 -5.02 118.68 119.60 2kbs s LEU 53 Ca 0.00 0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 53.01 2kbs s LEU 53 Cb 0.00 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.39 2kbs s LEU 53 CO 0.00 0.04 0.73 -0.70 0.23 0.00 0.00 176.35 176.65 2kbs s GLU 54 N -3.31 1.06 0.55 1.70 2.12 -1.26 -4.83 118.70 114.74 2kbs s GLU 54 Ca 0.35 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 55.10 2kbs s GLU 54 Cb -0.11 0.49 -0.06 0.00 0.26 0.00 0.00 34.13 34.71 2kbs s GLU 54 CO 0.29 -0.46 1.12 -0.89 -0.54 0.00 0.00 175.26 174.78 2kbs n ILE 55 N -0.28 3.52 0.00 -3.70 -0.00 -1.26 -2.77 119.36 114.88 2kbs n ILE 55 Ca -0.13 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.12 2kbs n ILE 55 Cb 0.63 -1.35 0.00 0.00 -0.00 0.00 0.00 39.64 38.93 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 1.07 2.99 3.75 7.39 0.00 -1.10 -4.91 105.19 114.39 2kbs n GLY 56 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 0.65 5.45 -0.12 1.61 1.11 -1.12 0.11 116.67 124.37 2kbs s ASP 57 Ca 0.00 2.61 -0.01 0.00 0.18 0.00 0.00 52.55 55.33 2kbs s ASP 57 Cb 0.00 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.40 2kbs s ASP 57 CO 0.00 -1.43 -0.03 -1.58 1.18 0.00 0.00 175.17 173.30 2kbs s GLN 58 N -2.92 1.09 -0.10 8.23 -0.44 -1.09 0.99 119.66 125.43 2kbs s GLN 58 Ca 0.71 -0.21 -0.29 0.00 -2.50 0.00 0.00 55.36 53.07 2kbs s GLN 58 Cb -0.36 -1.53 -0.04 0.00 -1.64 0.00 0.00 33.01 29.43 2kbs s GLN 58 CO 0.43 -0.36 1.56 0.42 0.50 0.00 0.00 175.29 177.83 2kbs s ILE 59 N 1.80 3.76 -0.06 -2.34 1.01 0.88 -1.71 121.20 124.54 2kbs s ILE 59 Ca 0.03 0.92 0.22 0.00 0.00 0.00 0.00 60.65 61.82 2kbs s ILE 59 Cb -0.14 -3.61 -0.31 0.00 0.01 0.00 0.00 42.46 38.41 2kbs s ILE 59 CO -0.07 -0.11 0.47 1.33 0.00 0.00 0.00 174.94 176.56 2kbs n VAL 60 N 5.56 0.17 -3.64 2.92 0.24 0.23 -4.37 118.33 119.43 2kbs n VAL 60 Ca 0.17 -0.54 -0.13 0.00 -2.04 0.00 0.00 64.34 61.80 2kbs n VAL 60 Cb 0.44 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 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 -3.41 0.96 -0.32 7.34 2.12 -0.36 -2.30 118.70 122.73 2kbs s GLU 61 Ca -0.08 -0.35 0.03 0.00 0.36 0.00 0.00 54.97 54.93 2kbs s GLU 61 Cb 0.13 0.43 0.16 0.00 0.26 0.00 0.00 34.13 35.11 2kbs s GLU 61 CO 0.90 -0.34 0.41 0.08 -0.54 0.00 0.00 175.26 175.77 2kbs s VAL 62 N -2.55 -0.55 -1.47 3.70 1.01 -0.83 0.28 120.40 119.99 2kbs s VAL 62 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 2kbs s VAL 62 Cb -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.60 2kbs s VAL 62 CO -0.03 -0.37 0.77 0.59 0.00 0.00 0.00 175.10 176.06 2kbs n ASN 63 N 4.94 -5.66 0.00 3.32 4.13 0.30 -1.22 115.26 121.07 2kbs n ASN 63 Ca 0.04 -0.42 0.00 0.00 1.68 0.00 0.00 54.58 55.88 2kbs n ASN 63 Cb 0.48 -4.55 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 2kbs n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kbs n GLY 64 N -1.60 2.99 3.63 7.41 0.00 -1.26 -5.01 105.19 111.35 2kbs n GLY 64 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 2kbs n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kbs s VAL 65 N -2.55 3.14 -0.15 1.61 1.01 -0.35 -4.90 120.40 118.21 2kbs s VAL 65 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2kbs s VAL 65 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2kbs s VAL 65 CO 0.00 -0.06 1.83 -1.81 0.00 0.00 0.00 175.10 175.06 2kbs s ASP 66 N 6.14 6.21 -0.30 3.32 1.01 -1.26 -1.96 116.67 129.84 2kbs s ASP 66 Ca 0.91 1.97 0.08 0.00 0.71 0.00 0.00 52.55 56.21 2kbs s ASP 66 Cb -0.35 -2.53 0.65 0.00 1.01 0.00 0.00 42.92 41.70 2kbs s ASP 66 CO 0.36 -1.34 1.69 0.49 0.21 0.00 0.00 175.17 176.59 2kbs n PHE 67 N 8.86 2.24 0.07 4.23 3.01 -0.97 -4.30 117.46 130.60 2kbs n PHE 67 Ca 0.21 -1.15 -0.12 0.00 1.01 0.00 0.00 57.45 57.40 2kbs n PHE 67 Cb 0.44 -0.66 -0.08 0.00 -0.01 0.00 0.00 39.48 39.17 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 2.16 -0.20 -0.02 4.37 0.87 -1.87 -3.36 113.55 115.51 2kbs h SER 68 Ca 0.28 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2kbs h SER 68 Cb 2.21 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 64.22 2kbs h SER 68 CO 0.70 0.30 -0.41 0.59 -0.53 0.00 0.00 176.83 177.47 2kbs n ASN 69 N -4.96 1.84 -4.79 6.23 4.13 -1.26 -4.65 115.26 111.79 2kbs n ASN 69 Ca -0.08 -3.80 -0.35 0.00 1.68 0.00 0.00 54.58 52.04 2kbs n ASN 69 Cb 0.26 -0.52 -0.03 0.00 -1.54 0.00 0.00 39.78 37.95 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kbs s LEU 70 N -3.19 3.88 0.78 3.41 2.96 -1.26 -5.05 118.68 120.21 2kbs s LEU 70 Ca 0.38 1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 56.18 2kbs s LEU 70 Cb 0.36 -4.51 0.11 0.00 0.50 0.00 0.00 46.19 42.65 2kbs s LEU 70 CO -0.05 -0.80 1.11 -1.81 -1.32 0.00 0.00 176.35 173.47 2kbs s ASP 71 N -1.88 4.30 0.01 3.68 1.11 -1.26 -4.70 116.67 117.93 2kbs s ASP 71 Ca 0.67 0.33 -0.25 0.00 0.18 0.00 0.00 52.55 53.48 2kbs s ASP 71 Cb -0.18 -0.78 -0.15 0.00 1.07 0.00 0.00 42.92 42.88 2kbs s ASP 71 CO 0.22 -1.95 1.11 -0.74 1.18 0.00 0.00 175.17 175.00 2kbs h HIS 72 N -0.90 -0.71 -0.61 4.23 -0.00 -1.96 -2.21 115.15 112.99 2kbs h HIS 72 Ca -0.43 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 59.98 2kbs h HIS 72 Cb 1.29 0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 28.90 2kbs h HIS 72 CO -0.10 -0.39 0.41 0.87 -0.00 0.00 0.00 177.93 178.72 2kbs h LYS 73 N -1.10 0.57 -0.48 5.26 1.57 -1.99 -1.66 116.57 118.75 2kbs h LYS 73 Ca -0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2kbs h LYS 73 Cb 0.64 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2kbs h LYS 73 CO 0.13 0.38 0.23 0.93 -0.57 0.00 0.00 179.45 180.55 2kbs h GLU 74 N 0.59 0.68 -0.50 3.15 4.39 -1.94 0.27 114.58 121.23 2kbs h GLU 74 Ca 0.27 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2kbs h GLU 74 Cb 0.30 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 2kbs h GLU 74 CO -0.08 0.57 0.29 0.00 -1.16 0.00 0.00 179.01 178.63 2kbs h ALA 75 N 1.07 0.64 -0.28 3.43 0.00 -0.66 -1.75 119.26 121.71 2kbs h ALA 75 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2kbs h ALA 75 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kbs h ALA 75 CO -0.02 0.14 -0.20 0.28 0.00 0.00 0.00 179.25 179.45 2kbs h VAL 76 N 0.66 1.30 0.16 0.00 2.07 -1.21 -2.30 116.25 116.94 2kbs h VAL 76 Ca 0.18 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.38 2kbs h VAL 76 Cb 0.02 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2kbs h VAL 76 CO -0.03 0.42 -0.31 -1.13 0.02 0.00 0.00 177.57 176.54 2kbs h ASN 77 N 0.35 -0.89 -0.52 0.57 -0.73 -0.28 0.62 115.58 114.70 2kbs h ASN 77 Ca 0.05 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.34 2kbs h ASN 77 Cb 0.74 0.33 -0.03 0.00 0.27 0.00 0.00 38.32 39.63 2kbs h ASN 77 CO 0.05 -0.41 0.32 -0.37 -0.37 0.00 0.00 177.43 176.66 2kbs h VAL 78 N -0.56 1.08 -0.13 2.57 -1.51 -1.38 0.80 116.25 117.12 2kbs h VAL 78 Ca 0.02 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.21 2kbs h VAL 78 Cb 0.57 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2kbs h VAL 78 CO -0.16 0.12 -0.18 -0.07 -1.23 0.00 0.00 177.57 176.05 2kbs h LEU 79 N 0.65 0.21 0.00 4.19 -0.00 -1.04 -2.25 115.31 117.07 2kbs h LEU 79 Ca 0.21 -0.05 -0.19 0.00 -0.00 0.00 0.00 57.88 57.84 2kbs h LEU 79 Cb -0.01 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 2kbs h LEU 79 CO -0.08 0.41 -1.03 0.11 -0.00 0.00 0.00 178.44 177.85 2kbs h LYS 80 N 0.21 0.00 0.34 1.13 6.56 0.11 -3.38 116.57 121.55 2kbs h LYS 80 Ca 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2kbs h LYS 80 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 2kbs h LYS 80 CO 0.03 0.73 -0.17 1.03 -2.06 0.00 0.00 179.45 179.01 2kbs h SER 81 N 0.00 -0.39 -3.49 0.86 0.87 0.11 -3.44 113.55 108.06 2kbs h SER 81 Ca -0.07 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.97 2kbs h SER 81 Cb 1.70 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 63.73 2kbs h SER 81 CO 0.10 -0.17 0.15 -0.44 -0.53 0.00 0.00 176.83 175.94 2kbs s SER 82 N -3.65 7.35 -0.09 6.23 0.01 -0.89 -5.01 113.70 117.64 2kbs s SER 82 Ca -0.07 1.60 -0.03 0.00 1.31 0.00 0.00 55.95 58.76 2kbs s SER 82 Cb 0.01 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2kbs s SER 82 CO 0.20 0.22 0.12 0.03 0.41 0.00 0.00 173.24 174.22 2kbs h ARG 83 N 4.33 -0.08 -4.21 12.44 3.08 -1.86 -3.43 114.38 124.65 2kbs h ARG 83 Ca -0.47 0.01 -0.74 0.00 0.07 0.00 0.00 59.98 58.84 2kbs h ARG 83 Cb 1.21 0.02 -0.26 0.00 0.08 0.00 0.00 29.97 31.02 2kbs h ARG 83 CO 0.66 -0.02 -0.31 0.45 -1.07 0.00 0.00 179.97 179.68 2kbs s SER 84 N -5.48 6.00 0.01 7.04 0.15 -1.25 -2.28 113.70 117.89 2kbs s SER 84 Ca -0.02 -1.72 0.04 0.00 0.70 0.00 0.00 55.95 54.95 2kbs s SER 84 Cb 0.00 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 2kbs s SER 84 CO 0.06 -0.75 -0.11 -1.48 1.20 0.00 0.00 173.24 172.16 2kbs s LEU 85 N 1.53 2.08 -0.31 3.45 0.05 -0.45 -4.98 118.68 120.05 2kbs s LEU 85 Ca 0.04 -0.30 -0.22 0.00 0.05 0.00 0.00 54.13 53.70 2kbs s LEU 85 Cb -0.27 -0.53 -0.00 0.00 -2.05 0.00 0.00 46.19 43.34 2kbs s LEU 85 CO 0.03 0.07 0.74 -0.89 -0.55 0.00 0.00 176.35 175.75 2kbs s THR 86 N -0.51 4.83 -0.19 5.48 2.01 -1.26 -2.21 115.64 123.79 2kbs s THR 86 Ca 0.02 1.05 -0.03 0.00 0.31 0.00 0.00 61.69 63.04 2kbs s THR 86 Cb -0.06 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 2kbs s THR 86 CO 0.00 -0.23 -0.06 0.27 -0.69 0.00 0.00 174.62 173.91 2kbs s ILE 87 N 2.86 3.41 -0.37 1.82 -4.36 0.12 0.11 121.20 124.79 2kbs s ILE 87 Ca 0.30 -0.50 -0.19 0.00 -0.26 0.00 0.00 60.65 60.00 2kbs s ILE 87 Cb -0.14 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.05 2kbs s ILE 87 CO 0.13 0.46 0.55 -0.55 0.24 0.00 0.00 174.94 175.76 2kbs s SER 88 N 1.03 6.32 0.08 4.36 0.15 0.14 -0.81 113.70 124.97 2kbs s SER 88 Ca 0.00 -0.12 0.09 0.00 0.70 0.00 0.00 55.95 56.62 2kbs s SER 88 Cb -0.15 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2kbs s SER 88 CO -0.00 -0.56 -0.23 -0.51 1.20 0.00 0.00 173.24 173.14 2kbs s ILE 89 N 2.49 2.47 -0.09 6.45 -1.16 0.12 0.75 121.20 132.23 2kbs s ILE 89 Ca 0.20 -1.47 0.03 0.00 -0.51 0.00 0.00 60.65 58.89 2kbs s ILE 89 Cb -0.15 -2.06 -0.02 0.00 0.61 0.00 0.00 42.46 40.85 2kbs s ILE 89 CO 0.15 0.23 -0.18 -0.69 -2.81 0.00 0.00 174.94 171.64 2kbs s VAL 90 N -0.97 2.68 0.09 4.00 1.01 -0.69 0.12 120.40 126.63 2kbs s VAL 90 Ca 0.14 -0.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2kbs s VAL 90 Cb -0.10 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 2kbs s VAL 90 CO 0.06 0.56 1.31 0.00 0.00 0.00 0.00 175.10 177.03 2kbs s ALA 91 N -0.07 3.51 0.00 5.51 0.00 -1.23 -2.65 121.76 126.83 2kbs s ALA 91 Ca -0.04 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.92 2kbs s ALA 91 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2kbs s ALA 91 CO 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 175.76 175.24 2kbs n ALA 92 N 4.03 0.00 0.27 0.00 0.00 -1.25 -4.57 120.51 118.99 2kbs n ALA 92 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.72 2kbs n ALA 92 Cb 0.44 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.76 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 1.50 0.00 0.00 0.00 -1.69 -2.52 119.26 116.54 2kbs h ALA 93 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kbs h ALA 93 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2kbs h ALA 93 CO 0.00 -0.33 -1.38 0.41 0.00 0.00 0.00 179.25 177.95 2kbs n GLY 94 N -1.28 -0.27 0.37 0.00 0.00 -0.53 -4.67 105.19 98.81 2kbs n GLY 94 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 0.89 -0.43 1.61 0.11 0.12 -1.15 114.38 115.53 2kbs h ARG 95 Ca -0.15 -0.05 0.09 0.00 0.10 0.00 0.00 59.98 59.96 2kbs h ARG 95 Cb 1.34 -0.20 -0.08 0.00 1.11 0.00 0.00 29.97 32.13 2kbs h ARG 95 CO 0.01 0.59 -0.10 1.05 0.10 0.00 0.00 179.97 181.61 2kbs h GLU 96 N 0.91 0.00 -0.16 0.08 4.11 -1.78 -1.02 114.58 116.73 2kbs h GLU 96 Ca 0.41 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.68 2kbs h GLU 96 Cb 0.38 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kbs h GLU 96 CO -0.18 0.00 -0.58 -0.07 0.07 0.00 0.00 179.01 178.25 2kbs h LEU 97 N 0.00 0.59 -0.96 3.06 3.38 -1.71 -3.16 115.31 116.51 2kbs h LEU 97 Ca 0.21 -0.32 0.13 0.00 0.09 0.00 0.00 57.88 57.99 2kbs h LEU 97 Cb 0.32 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 2kbs h LEU 97 CO -0.44 1.04 0.58 0.15 0.09 0.00 0.00 178.44 179.85 2kbs h PHE 98 N 0.39 1.03 -1.97 1.13 3.04 0.00 -3.40 116.94 117.17 2kbs h PHE 98 Ca 0.00 0.03 -0.59 0.00 3.98 0.00 0.00 57.97 61.39 2kbs h PHE 98 Cb 1.13 -0.32 0.01 0.00 2.56 0.00 0.00 35.95 39.33 2kbs h PHE 98 CO 0.04 0.35 1.32 -1.33 -2.02 0.00 0.00 178.31 176.68 2kbs n MET 99 N -4.70 2.13 0.00 1.11 2.81 -0.60 -5.09 117.12 112.79 2kbs n MET 99 Ca 0.19 0.70 0.00 0.00 -1.81 0.00 0.00 57.70 56.78 2kbs n MET 99 Cb 0.40 -2.92 0.00 0.00 -0.71 0.00 0.00 33.22 29.98 2kbs n MET 99 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11