#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 -5.20 -3.86 -1.58 -0.58 -1.26 -4.99 120.64 103.17 2kbs n GLU 10 Ca 0.00 3.74 -0.34 0.00 -0.42 0.00 0.00 57.16 60.14 2kbs n GLU 10 Cb 0.00 -4.22 -0.05 0.00 -0.57 0.00 0.00 31.44 26.60 2kbs n GLU 10 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2kbs s LYS 11 N -0.74 3.48 -0.11 3.49 2.20 0.35 -4.95 119.74 123.46 2kbs s LYS 11 Ca 0.00 -0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2kbs s LYS 11 Cb 0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2kbs s LYS 11 CO 0.00 0.67 0.07 0.15 -0.36 0.00 0.00 175.35 175.88 2kbs s LYS 12 N -1.87 3.29 -0.04 4.03 1.02 -1.26 -0.48 119.74 124.44 2kbs s LYS 12 Ca 0.27 -0.27 -0.08 0.00 0.02 0.00 0.00 55.97 55.91 2kbs s LYS 12 Cb -0.13 -3.02 0.01 0.00 -0.52 0.00 0.00 37.83 34.18 2kbs s LYS 12 CO 0.17 0.70 0.20 0.08 -0.92 0.00 0.00 175.35 175.58 2kbs s VAL 13 N -0.84 0.04 -0.09 3.17 1.01 -0.23 -4.89 120.40 118.58 2kbs s VAL 13 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2kbs s VAL 13 Cb -0.12 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2kbs s VAL 13 CO 0.03 -0.19 -0.05 0.72 0.00 0.00 0.00 175.10 175.60 2kbs s PHE 14 N -0.71 1.14 -0.16 5.22 -0.71 -1.26 0.30 117.98 121.79 2kbs s PHE 14 Ca -0.08 -0.48 -0.04 0.00 -1.04 0.00 0.00 56.93 55.29 2kbs s PHE 14 Cb -0.05 -1.02 -0.03 0.00 -1.21 0.00 0.00 43.02 40.72 2kbs s PHE 14 CO 0.01 -0.40 -0.02 0.42 -1.34 0.00 0.00 175.22 173.89 2kbs s ILE 15 N 1.62 4.02 0.02 -4.49 -1.09 -0.75 -4.91 121.20 115.61 2kbs s ILE 15 Ca 0.02 -0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 2kbs s ILE 15 Cb -0.13 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.96 2kbs s ILE 15 CO -0.05 0.49 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.51 2kbs s SER 16 N 0.39 0.97 -0.67 3.58 0.15 -1.23 -1.22 113.70 115.66 2kbs s SER 16 Ca -0.03 -0.32 -0.04 0.00 0.70 0.00 0.00 55.95 56.25 2kbs s SER 16 Cb -0.14 -0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.20 2kbs s SER 16 CO 0.03 -0.02 2.68 -0.11 1.20 0.00 0.00 173.24 177.01 2kbs n LEU 17 N 2.24 6.85 -3.84 3.45 0.00 -1.13 -4.73 117.00 119.84 2kbs n LEU 17 Ca -0.17 -4.27 -0.29 0.00 0.00 0.00 0.00 56.01 51.28 2kbs n LEU 17 Cb 0.56 -1.26 -0.16 0.00 0.00 0.00 0.00 43.42 42.56 2kbs n LEU 17 CO 0.23 1.81 -0.40 0.68 0.00 0.00 0.00 177.39 179.72 2kbs s VAL 18 N -1.98 1.03 0.00 1.96 -7.23 -1.26 -4.76 120.40 108.16 2kbs s VAL 18 Ca 0.58 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2kbs s VAL 18 Cb 0.33 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.89 2kbs s VAL 18 CO -0.19 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2kbs n GLY 19 N 4.87 3.08 1.38 2.32 0.00 -1.26 -5.00 105.19 110.57 2kbs n GLY 19 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.13 2.17 -4.30 1.61 7.64 -1.26 -5.10 113.62 114.50 2kbs n SER 20 Ca 0.00 -1.86 -0.37 0.00 1.01 0.00 0.00 58.87 57.65 2kbs n SER 20 Cb 0.00 0.20 -0.13 0.00 -1.01 0.00 0.00 64.21 63.28 2kbs n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbs s ARG 21 N -2.68 2.84 3.01 1.43 3.03 -1.26 -4.89 118.95 120.42 2kbs s ARG 21 Ca 0.02 -1.03 0.00 0.00 2.03 0.00 0.00 55.73 56.75 2kbs s ARG 21 Cb 0.00 -3.41 0.00 0.00 -1.03 0.00 0.00 34.95 30.51 2kbs s ARG 21 CO 0.01 -0.56 0.00 0.41 -1.13 0.00 0.00 175.30 174.04 2kbs n GLY 22 N 4.83 0.89 1.27 3.88 0.00 -1.26 -3.90 105.19 110.90 2kbs n GLY 22 Ca -0.13 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 0.26 0.00 0.99 7.94 -1.26 -4.48 117.00 120.45 2kbs n LEU 23 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2kbs n LEU 23 Cb 0.00 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 43.90 2kbs n LEU 23 CO 0.00 -0.59 0.00 0.61 -1.11 0.00 0.00 177.39 176.30 2kbs n GLY 24 N 2.99 1.91 3.34 -3.96 0.00 -1.25 0.11 105.19 108.33 2kbs n GLY 24 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.19 3.90 0.01 0.00 0.15 -1.10 -5.01 113.70 109.46 2kbs s SER 26 Ca -0.03 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 2kbs s SER 26 Cb -0.00 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2kbs s SER 26 CO -0.05 0.27 0.15 0.27 1.20 0.00 0.00 173.24 175.09 2kbs s ILE 27 N -0.30 5.16 0.20 6.45 -4.36 -1.26 0.14 121.20 127.23 2kbs s ILE 27 Ca 0.02 -0.32 0.06 0.00 -0.26 0.00 0.00 60.65 60.15 2kbs s ILE 27 Cb -0.13 -3.42 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 2kbs s ILE 27 CO 0.03 0.28 -0.09 -0.94 0.24 0.00 0.00 174.94 174.46 2kbs s SER 28 N -2.02 2.20 -0.01 4.36 1.04 -0.72 -4.84 113.70 113.71 2kbs s SER 28 Ca 0.28 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.62 2kbs s SER 28 Cb -0.12 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 2kbs s SER 28 CO 0.19 -0.32 0.06 -0.55 0.98 0.00 0.00 173.24 173.61 2kbs s SER 29 N -3.28 5.55 0.71 7.02 0.15 -1.26 0.16 113.70 122.73 2kbs s SER 29 Ca 0.23 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.96 2kbs s SER 29 Cb 0.02 -1.57 0.10 0.00 -1.71 0.00 0.00 66.02 62.86 2kbs s SER 29 CO 0.06 0.28 0.99 -0.83 1.20 0.00 0.00 173.24 174.95 2kbs s GLY 30 N -1.62 1.76 0.00 9.45 0.00 -1.21 -4.97 107.32 110.72 2kbs s GLY 30 Ca 0.21 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.60 2kbs s GLY 30 CO 0.12 -0.85 0.00 -1.55 0.00 0.00 0.00 173.10 170.82 2kbs n PRO 31 N -2.87 -0.53 0.20 2.90 -0.04 -1.25 -4.50 135.00 128.91 2kbs n PRO 31 Ca 0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.62 2kbs n PRO 31 Cb 0.60 0.00 0.42 0.00 -0.04 0.00 0.00 33.50 34.48 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 1.05 0.00 0.52 2.04 -2.00 -2.19 117.51 115.68 2kbs h ILE 32 Ca 0.00 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 2kbs h ILE 32 Cb 0.00 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2kbs h ILE 32 CO 0.00 0.33 -0.23 1.56 0.00 0.00 0.00 178.15 179.81 2kbs h GLN 33 N 0.00 0.00 -1.11 2.37 1.08 -2.05 -3.37 115.11 112.03 2kbs h GLN 33 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.91 2kbs h GLN 33 Cb 0.67 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.88 2kbs h GLN 33 CO 0.04 0.23 -0.64 1.17 -0.95 0.00 0.00 178.83 178.69 2kbs n LYS 34 N -3.81 0.54 -2.64 1.46 4.81 -1.00 -5.14 118.16 112.40 2kbs n LYS 34 Ca -0.02 -2.28 -0.41 0.00 -0.87 0.00 0.00 58.31 54.73 2kbs n LYS 34 Cb 0.33 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 33.86 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 0.50 4.61 0.00 1.64 0.04 -0.86 -3.94 135.00 136.99 2kbs s PRO 35 Ca 0.31 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.90 2kbs s PRO 35 Cb 0.08 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2kbs s PRO 35 CO -0.13 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.38 2kbs n GLY 36 N 2.47 -2.56 3.58 0.56 0.00 -1.26 -4.86 105.19 103.12 2kbs n GLY 36 Ca 0.04 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.01 4.80 0.47 -0.61 -1.09 -1.26 -3.31 121.20 118.19 2kbs s ILE 37 Ca 0.00 0.78 0.07 0.00 -2.23 0.00 0.00 60.65 59.27 2kbs s ILE 37 Cb 0.00 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2kbs s ILE 37 CO 0.00 -0.38 0.37 -0.36 -1.23 0.00 0.00 174.94 173.34 2kbs s PHE 38 N 2.94 2.23 -0.15 3.97 0.40 0.12 -2.20 117.98 125.31 2kbs s PHE 38 Ca 0.29 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 2kbs s PHE 38 Cb -0.14 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.32 2kbs s PHE 38 CO 0.16 -0.24 -0.02 0.42 0.70 0.00 0.00 175.22 176.25 2kbs s ILE 39 N -2.62 4.11 0.00 0.64 -1.09 -0.17 -1.76 121.20 120.32 2kbs s ILE 39 Ca 0.42 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 2kbs s ILE 39 Cb -0.02 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2kbs s ILE 39 CO 0.25 0.51 0.00 -0.24 -1.23 0.00 0.00 174.94 174.23 2kbs n SER 40 N 3.27 0.62 -4.51 3.58 2.88 0.36 -2.46 113.62 117.36 2kbs n SER 40 Ca -0.17 -0.90 -0.46 0.00 -1.33 0.00 0.00 58.87 56.01 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 -0.62 0.49 -4.17 0.66 -0.00 -1.26 -3.74 115.22 106.57 2kbs n HIS 41 Ca 0.00 0.80 -0.24 0.00 -0.00 0.00 0.00 57.72 58.28 2kbs n HIS 41 Cb 0.00 -2.12 -0.06 0.00 -0.00 0.00 0.00 29.99 27.81 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 -1.06 4.05 -0.23 3.57 1.01 -1.26 -2.70 120.40 123.78 2kbs s VAL 42 Ca 0.61 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2kbs s VAL 42 Cb -0.78 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2kbs s VAL 42 CO 0.58 -0.24 0.02 -0.54 0.00 0.00 0.00 175.10 174.93 2kbs s LYS 43 N -3.40 3.58 0.65 2.72 1.02 0.29 -4.97 119.74 119.64 2kbs s LYS 43 Ca 0.31 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.60 2kbs s LYS 43 Cb -0.08 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 2kbs s LYS 43 CO 0.22 -0.13 0.95 -2.30 -0.92 0.00 0.00 175.35 173.17 2kbs n PRO 44 N 4.69 0.72 -2.80 -1.68 -0.02 -1.26 -3.74 135.00 130.91 2kbs n PRO 44 Ca -0.17 0.30 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 2kbs n PRO 44 Cb 0.51 -2.18 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2kbs n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kbs n GLY 45 N 1.24 -0.18 0.00 -1.23 0.00 -1.26 -5.04 105.19 98.72 2kbs n GLY 45 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.43 0.00 -0.02 1.61 2.88 -1.25 -4.82 113.62 109.60 2kbs n SER 46 Ca -0.13 -0.93 -0.16 0.00 -1.33 0.00 0.00 58.87 56.32 2kbs n SER 46 Cb 0.60 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.32 -0.84 2.46 -0.00 0.51 -2.15 115.31 115.60 2kbs h LEU 47 Ca 0.00 -0.78 0.08 0.00 -0.00 0.00 0.00 57.88 57.17 2kbs h LEU 47 Cb 0.00 -0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 40.50 2kbs h LEU 47 CO 0.00 1.06 0.51 -1.28 -0.00 0.00 0.00 178.44 178.73 2kbs h SER 48 N -0.39 0.77 -0.21 -0.43 0.87 -1.39 -0.15 113.55 112.62 2kbs h SER 48 Ca -0.05 0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 2kbs h SER 48 Cb 1.12 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2kbs h SER 48 CO 0.07 0.47 -0.52 0.00 -0.53 0.00 0.00 176.83 176.32 2kbs h ALA 49 N 1.43 0.56 -0.42 6.23 0.00 -1.78 0.18 119.26 125.44 2kbs h ALA 49 Ca 0.39 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2kbs h ALA 49 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2kbs h ALA 49 CO -0.21 0.68 0.05 0.93 0.00 0.00 0.00 179.25 180.70 2kbs h GLU 50 N 0.61 0.66 0.00 0.00 4.39 -0.66 -2.57 114.58 117.01 2kbs h GLU 50 Ca 0.02 -0.14 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 2kbs h GLU 50 Cb 1.11 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 2kbs h GLU 50 CO 0.11 0.64 -0.71 -0.39 -1.16 0.00 0.00 179.01 177.51 2kbs h VAL 51 N 0.63 1.30 0.00 3.13 -1.51 -0.99 -3.48 116.25 115.34 2kbs h VAL 51 Ca 0.14 -2.61 0.00 0.00 -1.23 0.00 0.00 66.70 62.99 2kbs h VAL 51 Cb 0.33 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2kbs h VAL 51 CO 0.01 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.65 2kbs n GLY 52 N 1.01 1.97 3.81 5.19 0.00 -0.85 -5.03 105.19 111.29 2kbs n GLY 52 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.47 -0.29 0.99 1.43 0.56 -5.02 118.68 118.82 2kbs s LEU 53 Ca 0.00 1.17 -0.34 0.00 -1.03 0.00 0.00 54.13 53.93 2kbs s LEU 53 Cb 0.00 -3.72 0.17 0.00 0.03 0.00 0.00 46.19 42.67 2kbs s LEU 53 CO 0.00 -2.06 1.37 -1.61 0.23 0.00 0.00 176.35 174.29 2kbs s GLU 54 N -5.23 0.04 0.17 1.70 2.02 -1.26 -4.78 118.70 111.36 2kbs s GLU 54 Ca 0.61 -0.01 -0.33 0.00 0.02 0.00 0.00 54.97 55.26 2kbs s GLU 54 Cb -0.14 0.02 -0.14 0.00 0.10 0.00 0.00 34.13 33.97 2kbs s GLU 54 CO 0.53 -0.02 1.44 -0.89 0.02 0.00 0.00 175.26 176.35 2kbs n ILE 55 N 0.22 0.38 0.00 -1.63 5.41 -1.25 -2.50 119.36 120.00 2kbs n ILE 55 Ca 0.03 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2kbs n ILE 55 Cb 0.57 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 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 2.73 1.48 3.69 7.39 0.00 -1.03 -4.90 105.19 114.55 2kbs n GLY 56 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.20 3.06 -0.18 1.61 1.01 -1.04 0.14 116.67 120.06 2kbs s ASP 57 Ca 0.00 1.41 -0.04 0.00 0.71 0.00 0.00 52.55 54.63 2kbs s ASP 57 Cb 0.00 -2.09 0.09 0.00 1.01 0.00 0.00 42.92 41.93 2kbs s ASP 57 CO 0.00 -2.89 0.30 -1.58 0.21 0.00 0.00 175.17 171.21 2kbs s GLN 58 N -4.91 0.22 -0.16 8.23 -0.44 -1.24 -1.00 119.66 120.37 2kbs s GLN 58 Ca 0.64 0.59 -0.29 0.00 -2.50 0.00 0.00 55.36 53.81 2kbs s GLN 58 Cb -0.19 -0.39 -0.04 0.00 -1.64 0.00 0.00 33.01 30.76 2kbs s GLN 58 CO 0.58 -0.46 1.59 0.42 0.50 0.00 0.00 175.29 177.92 2kbs s ILE 59 N 2.45 3.72 -0.49 -2.34 1.01 -0.93 -2.10 121.20 122.51 2kbs s ILE 59 Ca 0.05 0.84 0.22 0.00 0.00 0.00 0.00 60.65 61.76 2kbs s ILE 59 Cb -0.14 -3.64 -0.25 0.00 0.01 0.00 0.00 42.46 38.44 2kbs s ILE 59 CO -0.12 -0.19 0.74 1.33 0.00 0.00 0.00 174.94 176.71 2kbs n VAL 60 N 5.97 0.04 -3.52 2.92 0.24 -0.34 -4.59 118.33 119.06 2kbs n VAL 60 Ca 0.18 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2kbs n VAL 60 Cb 0.44 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 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 -3.27 1.11 -0.27 7.34 2.12 -0.73 -1.76 118.70 123.23 2kbs s GLU 61 Ca 0.00 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.16 2kbs s GLU 61 Cb 0.15 0.51 0.15 0.00 0.26 0.00 0.00 34.13 35.20 2kbs s GLU 61 CO 0.87 -0.42 0.41 0.08 -0.54 0.00 0.00 175.26 175.66 2kbs s VAL 62 N -2.50 -0.64 -1.74 3.70 1.01 -0.74 -0.68 120.40 118.80 2kbs s VAL 62 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2kbs s VAL 62 Cb -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.44 2kbs s VAL 62 CO -0.02 -0.22 0.15 -3.20 0.00 0.00 0.00 175.10 171.81 2kbs n ASN 63 N 5.36 -6.02 0.00 3.32 2.85 0.18 -1.44 115.26 119.52 2kbs n ASN 63 Ca -0.01 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2kbs n ASN 63 Cb 0.50 -4.97 0.00 0.00 1.24 0.00 0.00 39.78 36.55 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 -1.15 3.00 3.70 8.20 0.00 -1.26 -5.02 105.19 112.66 2kbs n GLY 64 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.56 2.73 -0.21 1.61 1.01 -0.52 -4.90 120.40 117.56 2kbs s VAL 65 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 2kbs s VAL 65 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2kbs s VAL 65 CO 0.00 0.01 1.89 -0.62 0.00 0.00 0.00 175.10 176.37 2kbs s ASP 66 N 2.17 5.99 -0.04 3.32 2.15 -1.26 -1.80 116.67 127.21 2kbs s ASP 66 Ca 0.75 1.76 0.20 0.00 0.43 0.00 0.00 52.55 55.70 2kbs s ASP 66 Cb -0.43 -2.52 0.65 0.00 -0.30 0.00 0.00 42.92 40.31 2kbs s ASP 66 CO 0.33 -1.55 1.54 0.49 -0.17 0.00 0.00 175.17 175.82 2kbs n PHE 67 N 9.74 1.11 -0.04 -5.34 3.01 -0.73 -4.01 117.46 121.20 2kbs n PHE 67 Ca 0.23 -0.50 -0.15 0.00 1.01 0.00 0.00 57.45 58.04 2kbs n PHE 67 Cb 0.45 -0.08 -0.08 0.00 -0.01 0.00 0.00 39.48 39.76 2kbs n PHE 67 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2kbs h SER 68 N 4.04 0.56 -0.03 4.37 0.02 -1.81 -3.34 113.55 117.36 2kbs h SER 68 Ca 0.00 -0.59 -0.05 0.00 -0.84 0.00 0.00 61.79 60.30 2kbs h SER 68 Cb 1.10 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.39 2kbs h SER 68 CO 0.08 1.05 -0.61 -3.20 -1.14 0.00 0.00 176.83 173.01 2kbs n ASN 69 N -4.33 1.73 -4.81 3.07 2.85 -1.26 -4.72 115.26 107.79 2kbs n ASN 69 Ca -0.07 -3.58 -0.35 0.00 -0.11 0.00 0.00 54.58 50.47 2kbs n ASN 69 Cb 0.52 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.99 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 -2.73 4.18 0.89 1.20 2.96 -1.25 -5.06 118.68 118.86 2kbs s LEU 70 Ca 0.38 1.62 -0.12 0.00 -0.22 0.00 0.00 54.13 55.79 2kbs s LEU 70 Cb 0.37 -4.10 0.12 0.00 0.50 0.00 0.00 46.19 43.09 2kbs s LEU 70 CO -0.08 -0.16 1.11 -0.62 -1.32 0.00 0.00 176.35 175.28 2kbs s ASP 71 N -1.89 3.66 0.01 3.68 -1.08 -1.26 -4.53 116.67 115.26 2kbs s ASP 71 Ca 0.53 1.18 -0.25 0.00 -0.52 0.00 0.00 52.55 53.48 2kbs s ASP 71 Cb -0.14 -1.83 -0.16 0.00 -1.46 0.00 0.00 42.92 39.32 2kbs s ASP 71 CO 0.19 -2.48 1.25 -0.74 0.52 0.00 0.00 175.17 173.91 2kbs h HIS 72 N -1.44 -0.45 -0.93 -5.34 6.17 -1.97 -2.24 115.15 108.95 2kbs h HIS 72 Ca -0.50 -0.01 0.03 0.00 0.71 0.00 0.00 60.37 60.60 2kbs h HIS 72 Cb 1.31 0.15 -0.05 0.00 2.52 0.00 0.00 27.41 31.33 2kbs h HIS 72 CO 0.36 -0.13 0.61 0.87 0.71 0.00 0.00 177.93 180.36 2kbs h LYS 73 N -0.80 1.14 -0.76 5.26 1.79 -1.99 -1.55 116.57 119.66 2kbs h LYS 73 Ca -0.05 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2kbs h LYS 73 Cb 0.52 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2kbs h LYS 73 CO 0.08 0.75 0.46 0.93 -1.08 0.00 0.00 179.45 180.60 2kbs h GLU 74 N 1.17 1.02 -0.24 3.15 5.08 -1.93 0.25 114.58 123.08 2kbs h GLU 74 Ca 0.37 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2kbs h GLU 74 Cb 0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2kbs h GLU 74 CO -0.11 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.61 2kbs h ALA 75 N 1.47 0.33 -0.34 3.43 0.00 -0.66 -2.24 119.26 121.24 2kbs h ALA 75 Ca 0.27 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2kbs h ALA 75 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kbs h ALA 75 CO -0.05 0.06 -0.20 0.28 0.00 0.00 0.00 179.25 179.33 2kbs h VAL 76 N 0.20 1.29 0.28 0.00 2.07 -1.05 -2.27 116.25 116.76 2kbs h VAL 76 Ca 0.07 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2kbs h VAL 76 Cb 0.41 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2kbs h VAL 76 CO 0.01 0.44 -0.33 -1.13 0.02 0.00 0.00 177.57 176.58 2kbs h ASN 77 N 0.52 -0.91 -0.64 0.57 -0.00 -0.49 0.50 115.58 115.15 2kbs h ASN 77 Ca 0.07 0.09 0.03 0.00 -0.00 0.00 0.00 56.30 56.48 2kbs h ASN 77 Cb 0.76 0.32 -0.04 0.00 -0.00 0.00 0.00 38.32 39.35 2kbs h ASN 77 CO 0.06 -0.45 0.40 -0.37 -0.00 0.00 0.00 177.43 177.06 2kbs h VAL 78 N -0.66 1.09 -0.09 2.57 -1.51 -1.45 0.65 116.25 116.85 2kbs h VAL 78 Ca -0.01 -0.27 -0.07 0.00 -1.23 0.00 0.00 66.70 65.13 2kbs h VAL 78 Cb 0.62 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.00 2kbs h VAL 78 CO -0.10 0.14 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.08 2kbs h LEU 79 N 0.78 0.15 0.00 4.19 -0.00 -1.08 -2.10 115.31 117.25 2kbs h LEU 79 Ca 0.25 -0.04 -0.23 0.00 -0.00 0.00 0.00 57.88 57.86 2kbs h LEU 79 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2kbs h LEU 79 CO -0.10 0.40 -1.19 0.11 -0.00 0.00 0.00 178.44 177.67 2kbs h LYS 80 N 0.14 0.01 0.14 1.13 6.56 0.96 -3.39 116.57 122.13 2kbs h LYS 80 Ca 0.02 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2kbs h LYS 80 Cb 0.51 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 2kbs h LYS 80 CO 0.04 0.88 -0.07 1.03 -2.06 0.00 0.00 179.45 179.27 2kbs h SER 81 N 0.00 -0.16 -3.59 0.86 0.87 0.61 -3.44 113.55 108.70 2kbs h SER 81 Ca -0.09 0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 59.97 2kbs h SER 81 Cb 1.84 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2kbs h SER 81 CO 0.12 -0.05 0.43 -0.44 -0.53 0.00 0.00 176.83 176.36 2kbs s SER 82 N -3.09 7.38 -0.16 6.23 0.01 -0.82 -4.97 113.70 118.27 2kbs s SER 82 Ca -0.03 2.00 -0.23 0.00 1.31 0.00 0.00 55.95 59.00 2kbs s SER 82 Cb 0.00 -2.60 -0.21 0.00 0.21 0.00 0.00 66.02 63.43 2kbs s SER 82 CO 0.08 -0.13 0.46 0.03 0.41 0.00 0.00 173.24 174.10 2kbs h ARG 83 N 5.08 0.00 -3.50 12.44 -0.00 -1.86 -3.42 114.38 123.13 2kbs h ARG 83 Ca -0.44 0.00 -0.74 0.00 -0.50 0.00 0.00 59.98 58.30 2kbs h ARG 83 Cb 1.21 0.00 -0.32 0.00 0.00 0.00 0.00 29.97 30.86 2kbs h ARG 83 CO 0.72 0.88 0.06 -1.54 0.00 0.00 0.00 179.97 180.09 2kbs s SER 84 N -6.38 6.40 -0.04 7.04 1.04 -1.25 -2.83 113.70 117.68 2kbs s SER 84 Ca -0.21 -3.43 0.05 0.00 0.48 0.00 0.00 55.95 52.84 2kbs s SER 84 Cb 0.01 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.07 2kbs s SER 84 CO 0.58 -0.29 -0.18 -1.48 0.98 0.00 0.00 173.24 172.85 2kbs s LEU 85 N -0.94 2.52 -0.32 2.42 0.05 -0.36 -4.97 118.68 117.08 2kbs s LEU 85 Ca 0.26 -0.29 -0.20 0.00 0.05 0.00 0.00 54.13 53.95 2kbs s LEU 85 Cb -0.10 -1.49 -0.01 0.00 -2.05 0.00 0.00 46.19 42.54 2kbs s LEU 85 CO -0.09 0.33 0.63 -0.89 -0.55 0.00 0.00 176.35 175.78 2kbs s THR 86 N -0.67 4.93 -0.15 5.48 2.01 -1.26 -1.81 115.64 124.17 2kbs s THR 86 Ca 0.11 0.80 -0.02 0.00 0.31 0.00 0.00 61.69 62.88 2kbs s THR 86 Cb -0.11 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2kbs s THR 86 CO 0.00 -0.17 -0.09 0.27 -0.69 0.00 0.00 174.62 173.94 2kbs s ILE 87 N 2.62 3.41 -0.44 1.82 -4.36 0.15 0.48 121.20 124.88 2kbs s ILE 87 Ca 0.25 -0.53 -0.17 0.00 -0.26 0.00 0.00 60.65 59.94 2kbs s ILE 87 Cb -0.15 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.12 2kbs s ILE 87 CO 0.12 0.50 0.44 -0.44 0.24 0.00 0.00 174.94 175.80 2kbs s SER 88 N 0.45 6.18 0.04 4.36 0.01 0.14 -1.06 113.70 123.83 2kbs s SER 88 Ca -0.07 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.42 2kbs s SER 88 Cb -0.15 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 2kbs s SER 88 CO 0.04 -0.61 -0.03 -0.51 0.41 0.00 0.00 173.24 172.54 2kbs s ILE 89 N 2.07 3.84 -0.26 1.44 -1.16 0.37 -1.19 121.20 126.31 2kbs s ILE 89 Ca 0.10 -0.87 0.00 0.00 -0.51 0.00 0.00 60.65 59.37 2kbs s ILE 89 Cb -0.18 -2.75 0.04 0.00 0.61 0.00 0.00 42.46 40.18 2kbs s ILE 89 CO 0.12 0.26 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.75 2kbs s VAL 90 N -1.15 2.59 0.44 4.00 1.01 -0.89 0.13 120.40 126.53 2kbs s VAL 90 Ca 0.21 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 2kbs s VAL 90 Cb -0.11 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2kbs s VAL 90 CO 0.12 0.08 1.24 0.00 0.00 0.00 0.00 175.10 176.54 2kbs n ALA 91 N 4.57 1.17 0.00 5.51 0.00 -1.26 -1.81 120.51 128.69 2kbs n ALA 91 Ca -0.15 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2kbs n ALA 91 Cb 0.45 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2kbs n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kbs n ALA 92 N -0.39 0.00 0.33 0.00 0.00 -1.26 -4.82 120.51 114.37 2kbs n ALA 92 Ca 0.08 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.72 2kbs n ALA 92 Cb 0.40 0.00 1.11 0.00 0.00 0.00 0.00 19.45 20.97 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 1.14 0.00 0.00 0.00 -1.53 -2.86 119.26 116.01 2kbs h ALA 93 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kbs h ALA 93 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kbs h ALA 93 CO 0.00 -0.08 -1.29 0.41 0.00 0.00 0.00 179.25 178.30 2kbs n GLY 94 N -1.14 -0.19 0.35 0.00 0.00 0.34 -4.66 105.19 99.88 2kbs n GLY 94 Ca -0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2kbs n GLY 94 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kbs h ARG 95 N 0.00 0.47 -0.60 1.61 3.08 0.14 -2.30 114.38 116.79 2kbs h ARG 95 Ca -0.11 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.03 2kbs h ARG 95 Cb 1.25 -0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.08 2kbs h ARG 95 CO 0.00 0.31 -0.13 1.49 -1.07 0.00 0.00 179.97 180.57 2kbs h GLU 96 N 0.49 0.01 -0.20 0.04 4.22 -1.78 0.56 114.58 117.91 2kbs h GLU 96 Ca 0.28 -0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.60 2kbs h GLU 96 Cb 0.47 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2kbs h GLU 96 CO -0.09 0.01 -0.36 -0.07 -2.18 0.00 0.00 179.01 176.32 2kbs h LEU 97 N 0.01 0.67 0.33 1.64 3.38 -1.74 -3.34 115.31 116.25 2kbs h LEU 97 Ca 0.29 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2kbs h LEU 97 Cb 0.45 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kbs h LEU 97 CO -0.60 1.08 -0.19 -0.26 0.09 0.00 0.00 178.44 178.56 2kbs h PHE 98 N 0.28 -0.49 -3.99 1.13 0.04 -0.89 -3.43 116.94 109.60 2kbs h PHE 98 Ca 0.01 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 2kbs h PHE 98 Cb 0.95 0.17 0.12 0.00 2.20 0.00 0.00 35.95 39.39 2kbs h PHE 98 CO 0.09 -0.29 0.72 0.00 -0.60 0.00 0.00 178.31 178.23 2kbs s MET 99 N -4.11 3.72 0.00 1.51 0.23 0.18 -5.09 119.30 115.75 2kbs s MET 99 Ca -0.07 2.45 0.01 0.00 -1.03 0.00 0.00 55.69 57.05 2kbs s MET 99 Cb 0.01 -2.69 0.01 0.00 -1.53 0.00 0.00 34.83 30.63 2kbs s MET 99 CO 0.22 -0.80 0.54 2.41 -2.03 0.00 0.00 175.02 175.36