#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs s GLU 10 N 0.00 0.54 -0.35 1.97 2.02 -1.26 -4.85 118.70 116.77 2kbs s GLU 10 Ca 0.00 1.32 -0.13 0.00 0.02 0.00 0.00 54.97 56.18 2kbs s GLU 10 Cb 0.00 0.79 -0.01 0.00 0.10 0.00 0.00 34.13 35.01 2kbs s GLU 10 CO 0.00 -0.24 0.24 0.21 0.02 0.00 0.00 175.26 175.50 2kbs s LYS 11 N 2.85 3.41 0.17 1.61 2.20 0.41 -4.96 119.74 125.43 2kbs s LYS 11 Ca -0.03 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.68 2kbs s LYS 11 Cb -0.12 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 32.31 2kbs s LYS 11 CO -0.19 -0.49 0.69 0.21 -0.36 0.00 0.00 175.35 175.21 2kbs s LYS 12 N 1.71 4.29 0.08 4.03 2.20 -1.26 0.06 119.74 130.85 2kbs s LYS 12 Ca 0.06 0.87 -0.11 0.00 -0.36 0.00 0.00 55.97 56.43 2kbs s LYS 12 Cb -0.18 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2kbs s LYS 12 CO 0.10 0.49 0.24 0.08 -0.36 0.00 0.00 175.35 175.91 2kbs s VAL 13 N -1.35 0.12 -0.09 4.02 1.01 -0.20 -4.92 120.40 119.00 2kbs s VAL 13 Ca 0.38 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2kbs s VAL 13 Cb -0.19 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2kbs s VAL 13 CO 0.22 -0.54 0.10 0.72 0.00 0.00 0.00 175.10 175.60 2kbs s PHE 14 N -3.56 0.02 -0.14 5.22 -0.71 -1.26 -0.04 117.98 117.50 2kbs s PHE 14 Ca 0.02 0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 56.04 2kbs s PHE 14 Cb 0.03 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.32 2kbs s PHE 14 CO -0.10 -0.31 0.09 0.42 -1.34 0.00 0.00 175.22 173.98 2kbs s ILE 15 N 2.20 5.05 -0.02 -4.49 -1.09 -0.55 -4.96 121.20 117.34 2kbs s ILE 15 Ca 0.04 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2kbs s ILE 15 Cb -0.13 -3.23 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 2kbs s ILE 15 CO -0.06 0.54 0.02 -0.44 -1.23 0.00 0.00 174.94 173.77 2kbs s SER 16 N -0.37 0.19 0.14 3.58 0.01 -1.26 -1.04 113.70 114.95 2kbs s SER 16 Ca 0.10 0.01 -0.30 0.00 1.31 0.00 0.00 55.95 57.07 2kbs s SER 16 Cb -0.12 -0.11 -0.07 0.00 0.21 0.00 0.00 66.02 65.93 2kbs s SER 16 CO 0.02 -0.10 1.13 -0.22 0.41 0.00 0.00 173.24 174.48 2kbs s LEU 17 N 0.92 4.45 0.00 2.44 0.20 0.10 -4.91 118.68 121.88 2kbs s LEU 17 Ca -0.08 2.08 0.00 0.00 0.69 0.00 0.00 54.13 56.81 2kbs s LEU 17 Cb -0.12 -3.60 0.00 0.00 -0.43 0.00 0.00 46.19 42.05 2kbs s LEU 17 CO -0.02 -0.31 0.00 1.33 -0.29 0.00 0.00 176.35 177.06 2kbs n VAL 18 N 2.82 0.00 -0.29 1.68 0.24 -1.19 -4.93 118.33 116.66 2kbs n VAL 18 Ca 0.05 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.46 2kbs n VAL 18 Cb 0.46 -0.42 0.26 0.00 -1.47 0.00 0.00 33.84 32.68 2kbs n VAL 18 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kbs h GLY 19 N 0.00 1.26 -5.00 7.63 0.00 -2.03 -3.35 103.07 101.57 2kbs h GLY 19 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 2kbs h GLY 19 CO 0.00 -0.35 -0.33 1.44 0.00 0.00 0.00 176.54 177.30 2kbs n SER 20 N -5.25 -2.23 -3.24 0.19 7.64 -1.26 -5.11 113.62 104.36 2kbs n SER 20 Ca 0.20 -3.09 -0.02 0.00 1.01 0.00 0.00 58.87 56.97 2kbs n SER 20 Cb 0.64 1.65 -0.04 0.00 -1.01 0.00 0.00 64.21 65.45 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 0.35 0.47 0.00 1.43 0.52 -1.26 -5.09 118.95 115.37 2kbs s ARG 21 Ca 0.25 0.79 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 2kbs s ARG 21 Cb 0.26 0.09 0.00 0.00 0.52 0.00 0.00 34.95 35.83 2kbs s ARG 21 CO -0.14 -0.63 0.41 0.41 0.02 0.00 0.00 175.30 175.36 2kbs n GLY 22 N 5.40 -1.31 1.93 -3.53 0.00 -1.26 -3.19 105.19 103.23 2kbs n GLY 22 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.99 -0.06 0.00 0.99 7.94 -1.26 -4.45 117.00 119.17 2kbs n LEU 23 Ca 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2kbs n LEU 23 Cb 0.00 0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.19 2kbs n LEU 23 CO 0.00 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.20 2kbs n GLY 24 N 1.64 1.71 3.39 -3.96 0.00 -1.26 0.81 105.19 107.52 2kbs n GLY 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.92 4.39 0.02 0.00 0.01 -1.05 -4.99 113.70 109.16 2kbs s SER 26 Ca 0.12 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.17 2kbs s SER 26 Cb 0.02 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 2kbs s SER 26 CO -0.03 -0.71 -0.06 0.27 0.41 0.00 0.00 173.24 173.12 2kbs s ILE 27 N -2.69 0.37 0.25 1.44 -4.36 -1.26 -0.16 121.20 114.79 2kbs s ILE 27 Ca 0.33 -0.74 0.08 0.00 -0.26 0.00 0.00 60.65 60.06 2kbs s ILE 27 Cb 0.02 -0.42 -0.05 0.00 1.25 0.00 0.00 42.46 43.26 2kbs s ILE 27 CO 0.19 -0.25 -0.12 -0.94 0.24 0.00 0.00 174.94 174.06 2kbs s SER 28 N -1.06 2.81 -0.02 4.36 1.04 -0.75 -4.79 113.70 115.30 2kbs s SER 28 Ca -0.07 -1.09 -0.01 0.00 0.48 0.00 0.00 55.95 55.26 2kbs s SER 28 Cb -0.07 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2kbs s SER 28 CO -0.00 -0.20 0.06 -0.44 0.98 0.00 0.00 173.24 173.64 2kbs s SER 29 N -3.40 5.59 0.66 7.02 0.01 -1.26 -0.07 113.70 122.25 2kbs s SER 29 Ca 0.26 0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.63 2kbs s SER 29 Cb 0.00 -1.59 0.06 0.00 0.21 0.00 0.00 66.02 64.70 2kbs s SER 29 CO 0.10 0.29 0.93 -0.83 0.41 0.00 0.00 173.24 174.14 2kbs s GLY 30 N -1.59 1.75 0.00 3.44 0.00 -1.06 -4.91 107.32 104.94 2kbs s GLY 30 Ca 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2kbs s GLY 30 CO 0.12 -0.76 0.00 -1.55 0.00 0.00 0.00 173.10 170.91 2kbs n PRO 31 N -2.73 -0.15 0.06 2.90 -0.04 -1.25 -4.39 135.00 129.41 2kbs n PRO 31 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2kbs n PRO 31 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 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 -1.23 1.39 0.00 0.52 2.04 -1.98 -1.20 117.51 117.04 2kbs h ILE 32 Ca 0.00 -3.05 -0.17 0.00 1.00 0.00 0.00 64.86 62.64 2kbs h ILE 32 Cb 0.00 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 2kbs h ILE 32 CO 0.00 0.79 -0.82 1.56 0.00 0.00 0.00 178.15 179.68 2kbs h GLN 33 N 0.00 0.00 -1.82 2.37 7.50 -2.06 -3.37 115.11 117.73 2kbs h GLN 33 Ca -0.06 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 58.63 2kbs h GLN 33 Cb 1.73 0.00 -0.38 0.00 0.05 0.00 0.00 27.48 28.88 2kbs h GLN 33 CO 0.11 0.82 -1.13 1.17 -1.50 0.00 0.00 178.83 178.30 2kbs n LYS 34 N -3.50 0.96 -2.53 1.46 4.81 -1.24 -5.13 118.16 112.99 2kbs n LYS 34 Ca -0.00 -3.24 -0.35 0.00 -0.87 0.00 0.00 58.31 53.84 2kbs n LYS 34 Cb 0.80 -1.63 -0.04 0.00 0.02 0.00 0.00 35.03 34.19 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 -2.12 3.98 0.00 1.64 0.04 -0.45 -3.77 135.00 134.32 2kbs s PRO 35 Ca 0.38 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2kbs s PRO 35 Cb 0.34 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2kbs s PRO 35 CO -0.08 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.08 2kbs n GLY 36 N 0.08 0.23 3.59 0.56 0.00 -1.26 -4.84 105.19 103.54 2kbs n GLY 36 Ca 0.07 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 4.69 0.49 -0.61 -1.09 -1.26 -2.58 121.20 118.84 2kbs s ILE 37 Ca 0.00 0.93 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 2kbs s ILE 37 Cb 0.00 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2kbs s ILE 37 CO 0.00 -0.47 0.40 -0.36 -1.23 0.00 0.00 174.94 173.27 2kbs s PHE 38 N 3.20 2.11 -0.12 3.97 0.40 0.91 -2.05 117.98 126.39 2kbs s PHE 38 Ca 0.33 -0.68 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 2kbs s PHE 38 Cb -0.13 -2.03 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 2kbs s PHE 38 CO 0.18 -0.32 -0.01 0.42 0.70 0.00 0.00 175.22 176.18 2kbs s ILE 39 N -2.64 4.16 0.00 0.64 -1.09 0.18 -1.81 121.20 120.64 2kbs s ILE 39 Ca 0.42 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.56 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 0.54 0.00 -0.24 -1.23 0.00 0.00 174.94 174.26 2kbs n SER 40 N 2.89 0.62 -4.32 3.58 2.88 0.77 -3.00 113.62 117.04 2kbs n SER 40 Ca -0.18 -0.94 -0.37 0.00 -1.33 0.00 0.00 58.87 56.05 2kbs n SER 40 Cb 0.53 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 2kbs n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kbs n HIS 41 N -0.65 -2.23 -4.35 0.66 8.25 -1.26 -3.97 115.22 111.67 2kbs n HIS 41 Ca 0.00 0.34 -0.20 0.00 -0.26 0.00 0.00 57.72 57.59 2kbs n HIS 41 Cb 0.00 -1.76 -0.10 0.00 1.12 0.00 0.00 29.99 29.24 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2kbs s VAL 42 N -1.94 1.82 -0.03 1.59 1.01 -1.26 -2.52 120.40 119.07 2kbs s VAL 42 Ca 0.59 -2.10 0.07 0.00 0.00 0.00 0.00 61.98 60.54 2kbs s VAL 42 Cb -0.38 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2kbs s VAL 42 CO 0.64 -0.46 -0.25 -1.59 0.00 0.00 0.00 175.10 173.44 2kbs s LYS 43 N -3.27 2.16 0.69 2.72 -2.85 -0.07 -5.01 119.74 114.11 2kbs s LYS 43 Ca 0.20 -0.89 -0.14 0.00 -1.00 0.00 0.00 55.97 54.13 2kbs s LYS 43 Cb -0.03 -2.01 0.02 0.00 -2.06 0.00 0.00 37.83 33.75 2kbs s LYS 43 CO 0.07 0.50 1.13 -1.25 0.10 0.00 0.00 175.35 175.90 2kbs s PRO 44 N -0.47 2.58 -0.28 1.78 0.04 -1.26 -4.23 135.00 133.15 2kbs s PRO 44 Ca 0.06 1.44 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 2kbs s PRO 44 Cb -0.11 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2kbs s PRO 44 CO 0.00 -1.43 0.24 0.41 0.04 0.00 0.00 177.00 176.26 2kbs n GLY 45 N -0.39 0.28 0.11 0.56 0.00 -1.26 -5.04 105.19 99.44 2kbs n GLY 45 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.60 -0.06 0.00 1.61 2.88 -1.26 -5.02 113.62 110.17 2kbs n SER 46 Ca -0.06 -1.05 -0.17 0.00 -1.33 0.00 0.00 58.87 56.26 2kbs n SER 46 Cb 0.54 0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.42 -0.59 2.46 -0.00 0.10 -2.69 115.31 115.01 2kbs h LEU 47 Ca -0.01 -0.82 0.07 0.00 -0.00 0.00 0.00 57.88 57.12 2kbs h LEU 47 Cb 0.04 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.51 2kbs h LEU 47 CO 0.01 1.19 0.27 0.77 -0.00 0.00 0.00 178.44 180.69 2kbs h SER 48 N -0.30 0.35 -0.51 -0.43 4.64 -1.27 -0.53 113.55 115.52 2kbs h SER 48 Ca -0.08 0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 2kbs h SER 48 Cb 1.30 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 2kbs h SER 48 CO 0.10 0.23 -0.02 0.00 -0.87 0.00 0.00 176.83 176.27 2kbs h ALA 49 N 1.35 0.68 -0.96 5.18 0.00 -1.78 -0.08 119.26 123.66 2kbs h ALA 49 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kbs h ALA 49 Cb 0.25 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2kbs h ALA 49 CO -0.22 0.51 0.60 0.93 0.00 0.00 0.00 179.25 181.07 2kbs h GLU 50 N 0.77 1.29 0.00 0.00 4.39 -1.04 -2.18 114.58 117.81 2kbs h GLU 50 Ca 0.14 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 2kbs h GLU 50 Cb 0.55 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2kbs h GLU 50 CO 0.03 0.89 -0.60 -0.39 -1.16 0.00 0.00 179.01 177.78 2kbs h VAL 51 N 1.32 1.14 -0.35 3.13 -1.51 -0.96 -3.48 116.25 115.54 2kbs h VAL 51 Ca 0.35 -2.29 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 2kbs h VAL 51 Cb -0.09 2.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2kbs h VAL 51 CO -0.07 0.59 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 2kbs n GLY 52 N 0.85 0.81 3.95 5.19 0.00 -0.27 -5.07 105.19 110.65 2kbs n GLY 52 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.35 4.28 0.07 0.99 1.43 -0.20 -5.02 118.68 119.88 2kbs s LEU 53 Ca 0.00 0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 2kbs s LEU 53 Cb 0.00 -2.99 0.09 0.00 0.03 0.00 0.00 46.19 43.32 2kbs s LEU 53 CO 0.00 -0.04 0.74 -1.83 0.23 0.00 0.00 176.35 175.45 2kbs s GLU 54 N -3.60 1.05 0.73 1.70 -1.05 -1.26 -4.82 118.70 111.46 2kbs s GLU 54 Ca 0.36 -0.37 -0.16 0.00 -0.15 0.00 0.00 54.97 54.65 2kbs s GLU 54 Cb -0.10 0.49 -0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2kbs s GLU 54 CO 0.29 -0.46 0.86 -0.89 0.95 0.00 0.00 175.26 176.02 2kbs n ILE 55 N -0.27 2.47 0.00 1.83 5.41 -1.25 -2.78 119.36 124.76 2kbs n ILE 55 Ca -0.13 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2kbs n ILE 55 Cb 0.63 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.55 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 1.21 3.18 3.80 7.39 0.00 -1.16 -4.90 105.19 114.70 2kbs n GLY 56 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.31 5.05 -0.13 1.61 1.11 -1.12 0.13 116.67 123.01 2kbs s ASP 57 Ca 0.00 1.73 -0.05 0.00 0.18 0.00 0.00 52.55 54.41 2kbs s ASP 57 Cb 0.00 -2.51 0.06 0.00 1.07 0.00 0.00 42.92 41.54 2kbs s ASP 57 CO 0.00 -1.67 0.26 -1.58 1.18 0.00 0.00 175.17 173.36 2kbs s GLN 58 N -4.89 0.15 -0.16 8.23 0.74 -1.26 0.49 119.66 122.97 2kbs s GLN 58 Ca 0.60 0.75 -0.29 0.00 0.05 0.00 0.00 55.36 56.46 2kbs s GLN 58 Cb -0.16 -0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.88 2kbs s GLN 58 CO 0.54 -0.28 1.59 0.42 -0.55 0.00 0.00 175.29 177.01 2kbs s ILE 59 N 2.40 3.72 -1.81 -2.34 1.01 -0.87 -3.09 121.20 120.21 2kbs s ILE 59 Ca 0.01 0.84 0.23 0.00 0.00 0.00 0.00 60.65 61.73 2kbs s ILE 59 Cb -0.12 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.73 2kbs s ILE 59 CO -0.08 -0.19 1.19 1.33 0.00 0.00 0.00 174.94 177.18 2kbs n VAL 60 N 5.99 0.00 -3.58 2.92 0.24 0.50 -4.58 118.33 119.81 2kbs n VAL 60 Ca 0.18 -0.19 -0.11 0.00 -2.04 0.00 0.00 64.34 62.18 2kbs n VAL 60 Cb 0.44 0.99 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 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 -2.57 0.62 -0.22 7.34 2.12 -0.89 -3.09 118.70 122.02 2kbs s GLU 61 Ca 0.18 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.72 2kbs s GLU 61 Cb 0.18 0.29 0.11 0.00 0.26 0.00 0.00 34.13 34.97 2kbs s GLU 61 CO 0.60 -0.17 0.26 0.08 -0.54 0.00 0.00 175.26 175.49 2kbs s VAL 62 N -0.86 -0.40 -1.60 3.70 1.01 -0.78 -0.11 120.40 121.36 2kbs s VAL 62 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 2kbs s VAL 62 Cb -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2kbs s VAL 62 CO 0.01 -0.20 0.06 -3.20 0.00 0.00 0.00 175.10 171.77 2kbs n ASN 63 N 5.33 -5.48 0.00 3.32 2.85 0.10 -1.08 115.26 120.30 2kbs n ASN 63 Ca -0.05 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2kbs n ASN 63 Cb 0.49 -4.56 0.00 0.00 1.24 0.00 0.00 39.78 36.95 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 -1.02 2.98 3.77 8.20 0.00 -1.26 -5.01 105.19 112.84 2kbs n GLY 64 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.50 2.14 -0.42 1.61 1.01 -0.24 -4.92 120.40 117.07 2kbs s VAL 65 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.82 2kbs s VAL 65 Cb 0.00 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.32 2kbs s VAL 65 CO 0.00 0.03 1.23 -0.62 0.00 0.00 0.00 175.10 175.73 2kbs s ASP 66 N 0.07 6.59 -0.01 3.32 -1.08 -1.26 -1.87 116.67 122.43 2kbs s ASP 66 Ca 0.56 0.72 0.12 0.00 -0.52 0.00 0.00 52.55 53.44 2kbs s ASP 66 Cb -0.46 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 38.83 2kbs s ASP 66 CO 0.56 -1.24 1.29 0.49 0.52 0.00 0.00 175.17 176.80 2kbs n PHE 67 N 7.98 0.62 0.07 -5.34 3.01 -1.18 -3.88 117.46 118.74 2kbs n PHE 67 Ca 0.14 -0.29 -0.11 0.00 1.01 0.00 0.00 57.45 58.19 2kbs n PHE 67 Cb 0.48 -0.04 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 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 2.40 0.45 0.00 4.37 0.02 -1.84 -3.33 113.55 115.63 2kbs h SER 68 Ca 0.00 -0.35 -0.06 0.00 -0.84 0.00 0.00 61.79 60.54 2kbs h SER 68 Cb 0.64 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 62.91 2kbs h SER 68 CO 0.03 1.13 -0.67 -3.20 -1.14 0.00 0.00 176.83 172.98 2kbs n ASN 69 N -3.75 1.45 -4.85 3.07 2.85 -1.26 -4.68 115.26 108.10 2kbs n ASN 69 Ca -0.05 -3.19 -0.33 0.00 -0.11 0.00 0.00 54.58 50.89 2kbs n ASN 69 Cb 0.79 -0.44 -0.06 0.00 1.24 0.00 0.00 39.78 41.31 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 -2.05 4.14 0.64 1.20 2.96 -1.25 -5.08 118.68 119.24 2kbs s LEU 70 Ca 0.36 1.19 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 2kbs s LEU 70 Cb 0.37 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2kbs s LEU 70 CO -0.10 -0.12 1.00 -1.81 -1.32 0.00 0.00 176.35 174.00 2kbs s ASP 71 N -2.17 5.63 0.07 3.68 1.01 -1.26 -4.56 116.67 119.06 2kbs s ASP 71 Ca 0.50 1.00 -0.33 0.00 0.71 0.00 0.00 52.55 54.43 2kbs s ASP 71 Cb -0.12 -1.92 -0.19 0.00 1.01 0.00 0.00 42.92 41.70 2kbs s ASP 71 CO 0.19 -1.14 1.61 -0.74 0.21 0.00 0.00 175.17 175.29 2kbs h HIS 72 N -0.39 -0.83 -0.98 4.23 2.76 -1.98 -1.34 115.15 116.62 2kbs h HIS 72 Ca -0.45 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 57.75 2kbs h HIS 72 Cb 1.24 0.27 -0.06 0.00 1.55 0.00 0.00 27.41 30.42 2kbs h HIS 72 CO 0.51 -0.51 0.63 0.87 -1.30 0.00 0.00 177.93 178.14 2kbs h LYS 73 N -0.91 1.15 -0.91 5.26 1.57 -1.99 -1.74 116.57 118.99 2kbs h LYS 73 Ca -0.09 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 2kbs h LYS 73 Cb 0.69 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 2kbs h LYS 73 CO 0.15 0.76 0.60 0.93 -0.57 0.00 0.00 179.45 181.32 2kbs h GLU 74 N 1.18 1.18 -0.32 3.15 4.39 -1.91 0.23 114.58 122.48 2kbs h GLU 74 Ca 0.41 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 60.02 2kbs h GLU 74 Cb 0.10 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 2kbs h GLU 74 CO -0.15 0.78 0.13 0.00 -1.16 0.00 0.00 179.01 178.60 2kbs h ALA 75 N 1.34 0.41 -0.23 3.43 0.00 -0.38 -1.55 119.26 122.29 2kbs h ALA 75 Ca 0.34 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2kbs h ALA 75 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kbs h ALA 75 CO -0.08 0.01 -0.40 0.28 0.00 0.00 0.00 179.25 179.06 2kbs h VAL 76 N 0.36 1.30 0.07 0.00 2.07 -1.04 -2.25 116.25 116.76 2kbs h VAL 76 Ca 0.11 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 2kbs h VAL 76 Cb 0.18 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2kbs h VAL 76 CO -0.01 0.49 -0.03 -1.13 0.02 0.00 0.00 177.57 176.91 2kbs h ASN 77 N 0.44 -0.08 -0.44 0.57 -1.24 -0.36 0.33 115.58 114.80 2kbs h ASN 77 Ca 0.04 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 2kbs h ASN 77 Cb 0.89 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.94 2kbs h ASN 77 CO 0.08 0.09 0.20 -0.37 -1.29 0.00 0.00 177.43 176.13 2kbs h VAL 78 N -0.25 1.19 -0.15 2.57 -1.51 -1.29 0.55 116.25 117.36 2kbs h VAL 78 Ca -0.01 -0.56 -0.04 0.00 -1.23 0.00 0.00 66.70 64.87 2kbs h VAL 78 Cb 0.22 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 2kbs h VAL 78 CO 0.02 0.21 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.42 2kbs h LEU 79 N 0.56 0.21 0.10 4.19 -0.00 -1.34 -2.32 115.31 116.71 2kbs h LEU 79 Ca 0.15 -0.03 -0.28 0.00 -0.00 0.00 0.00 57.88 57.71 2kbs h LEU 79 Cb 0.15 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 2kbs h LEU 79 CO -0.02 0.32 -1.37 0.11 -0.00 0.00 0.00 178.44 177.48 2kbs h LYS 80 N 0.22 0.21 0.73 1.13 6.56 -0.41 -3.38 116.57 121.63 2kbs h LYS 80 Ca 0.05 -0.36 -0.04 0.00 -1.06 0.00 0.00 60.65 59.25 2kbs h LYS 80 Cb 0.28 0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.08 2kbs h LYS 80 CO 0.01 1.10 -0.35 1.03 -2.06 0.00 0.00 179.45 179.18 2kbs h SER 81 N 0.06 -0.83 -3.45 0.86 0.87 0.50 -3.42 113.55 108.13 2kbs h SER 81 Ca -0.18 0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.87 2kbs h SER 81 Cb 1.97 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 64.11 2kbs h SER 81 CO 0.17 -0.57 0.20 -0.44 -0.53 0.00 0.00 176.83 175.66 2kbs s SER 82 N -3.60 7.27 -0.33 6.23 0.01 -0.91 -4.95 113.70 117.41 2kbs s SER 82 Ca -0.14 1.51 0.07 0.00 1.31 0.00 0.00 55.95 58.71 2kbs s SER 82 Cb 0.01 -2.49 0.68 0.00 0.21 0.00 0.00 66.02 64.43 2kbs s SER 82 CO 0.43 -0.00 1.77 0.54 0.41 0.00 0.00 173.24 176.39 2kbs n ARG 83 N 2.80 3.18 -2.66 12.44 1.74 -1.26 -4.53 116.66 128.37 2kbs n ARG 83 Ca -0.02 -2.84 -0.04 0.00 -0.77 0.00 0.00 57.85 54.19 2kbs n ARG 83 Cb 0.50 -2.14 0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2kbs n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbs n SER 84 N -0.36 -1.21 -4.49 0.55 2.88 -1.23 0.03 113.62 109.79 2kbs n SER 84 Ca 0.43 -1.52 -0.31 0.00 -1.33 0.00 0.00 58.87 56.15 2kbs n SER 84 Cb 1.40 0.64 -0.12 0.00 -0.75 0.00 0.00 64.21 65.38 2kbs n SER 84 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2kbs s LEU 85 N 0.12 2.73 -0.31 2.46 0.05 -0.21 -4.95 118.68 118.56 2kbs s LEU 85 Ca 0.25 -0.41 -0.20 0.00 0.05 0.00 0.00 54.13 53.82 2kbs s LEU 85 Cb 0.19 -1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 42.74 2kbs s LEU 85 CO -0.08 0.24 0.63 -0.89 -0.55 0.00 0.00 176.35 175.70 2kbs s THR 86 N -0.99 4.93 -0.16 5.48 2.01 -1.26 -1.48 115.64 124.17 2kbs s THR 86 Ca 0.16 0.80 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 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 0.07 -0.17 -0.06 0.27 -0.69 0.00 0.00 174.62 174.04 2kbs s ILE 87 N 2.62 3.60 -0.26 1.82 -4.36 0.94 0.00 121.20 125.55 2kbs s ILE 87 Ca 0.25 -0.46 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 2kbs s ILE 87 Cb -0.15 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 40.94 2kbs s ILE 87 CO 0.12 0.49 0.17 -0.44 0.24 0.00 0.00 174.94 175.52 2kbs s SER 88 N 0.55 6.03 0.06 4.36 0.01 0.84 -1.03 113.70 124.51 2kbs s SER 88 Ca -0.04 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.31 2kbs s SER 88 Cb -0.15 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 2kbs s SER 88 CO 0.03 0.00 -0.17 -0.51 0.41 0.00 0.00 173.24 173.00 2kbs s ILE 89 N 1.45 1.34 -0.21 1.44 -1.16 0.11 -0.37 121.20 123.80 2kbs s ILE 89 Ca 0.07 -1.21 -0.00 0.00 -0.51 0.00 0.00 60.65 59.00 2kbs s ILE 89 Cb -0.15 -1.21 0.02 0.00 0.61 0.00 0.00 42.46 41.73 2kbs s ILE 89 CO 0.08 -0.02 -0.14 -0.69 -2.81 0.00 0.00 174.94 171.36 2kbs s VAL 90 N -1.00 2.45 0.28 4.00 1.01 -1.18 0.16 120.40 126.12 2kbs s VAL 90 Ca 0.03 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 2kbs s VAL 90 Cb -0.09 -2.14 -0.13 0.00 0.00 0.00 0.00 36.38 34.02 2kbs s VAL 90 CO 0.02 0.39 1.42 0.00 0.00 0.00 0.00 175.10 176.93 2kbs n ALA 91 N 4.64 1.52 0.00 5.51 0.00 -1.26 -1.61 120.51 129.31 2kbs n ALA 91 Ca -0.19 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kbs n ALA 91 Cb 0.49 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 1.48 0.00 0.33 0.00 0.00 -1.26 -4.84 120.51 116.23 2kbs n ALA 92 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.73 2kbs n ALA 92 Cb 0.34 0.00 1.09 0.00 0.00 0.00 0.00 19.45 20.88 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 1.09 0.00 0.00 0.00 -1.48 -2.61 119.26 116.26 2kbs h ALA 93 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2kbs h ALA 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kbs h ALA 93 CO 0.00 -0.09 -1.48 0.41 0.00 0.00 0.00 179.25 178.09 2kbs n GLY 94 N -1.13 -0.34 0.36 0.00 0.00 0.19 -4.64 105.19 99.63 2kbs n GLY 94 Ca -0.03 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 0.47 -0.58 1.61 0.11 0.14 -2.19 114.38 113.94 2kbs h ARG 95 Ca -0.19 -0.03 0.12 0.00 0.10 0.00 0.00 59.98 59.98 2kbs h ARG 95 Cb 1.43 -0.11 -0.11 0.00 1.11 0.00 0.00 29.97 32.29 2kbs h ARG 95 CO 0.01 0.31 -0.14 1.49 0.10 0.00 0.00 179.97 181.74 2kbs h GLU 96 N 0.48 0.00 -0.11 0.08 4.57 -1.79 0.36 114.58 118.17 2kbs h GLU 96 Ca 0.31 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.41 2kbs h GLU 96 Cb 0.56 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2kbs h GLU 96 CO -0.10 0.00 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.41 2kbs h LEU 97 N 0.00 0.41 -2.03 1.64 3.38 -1.73 -3.12 115.31 113.86 2kbs h LEU 97 Ca 0.28 -0.57 0.12 0.00 0.09 0.00 0.00 57.88 57.80 2kbs h LEU 97 Cb 0.42 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2kbs h LEU 97 CO -0.60 0.91 0.34 -0.26 0.09 0.00 0.00 178.44 178.92 2kbs h PHE 98 N -0.07 0.00 -2.19 1.13 0.04 -0.82 -3.42 116.94 111.62 2kbs h PHE 98 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 2kbs h PHE 98 Cb 0.85 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.04 2kbs h PHE 98 CO 0.11 0.00 0.92 -1.33 -0.60 0.00 0.00 178.31 177.41 2kbs n MET 99 N -4.19 2.18 0.00 1.51 2.81 0.12 -5.07 117.12 114.48 2kbs n MET 99 Ca 0.07 0.79 0.09 0.00 -1.81 0.00 0.00 57.70 56.85 2kbs n MET 99 Cb 0.54 -2.60 0.08 0.00 -0.71 0.00 0.00 33.22 30.53 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89