#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 0.62 -0.09 1.64 2.02 -1.26 -4.90 118.70 116.73 2kbs s GLU 10 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 54.97 56.01 2kbs s GLU 10 Cb 0.00 0.14 -0.05 0.00 0.10 0.00 0.00 34.13 34.32 2kbs s GLU 10 CO 0.00 -0.16 0.27 0.21 0.02 0.00 0.00 175.26 175.60 2kbs s LYS 11 N 1.66 3.85 -0.15 1.61 2.20 0.35 -4.97 119.74 124.28 2kbs s LYS 11 Ca -0.10 0.10 -0.08 0.00 -0.36 0.00 0.00 55.97 55.54 2kbs s LYS 11 Cb -0.06 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 2kbs s LYS 11 CO -0.18 0.59 0.12 0.21 -0.36 0.00 0.00 175.35 175.73 2kbs s LYS 12 N -0.59 3.70 -0.01 4.03 2.20 -1.26 -0.49 119.74 127.32 2kbs s LYS 12 Ca 0.18 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.58 2kbs s LYS 12 Cb -0.14 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2kbs s LYS 12 CO 0.07 0.59 0.06 0.08 -0.36 0.00 0.00 175.35 175.78 2kbs s VAL 13 N -0.48 0.04 -0.09 4.02 1.01 -0.49 -4.92 120.40 119.49 2kbs s VAL 13 Ca 0.12 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2kbs s VAL 13 Cb -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2kbs s VAL 13 CO 0.02 -0.18 -0.11 0.12 0.00 0.00 0.00 175.10 174.95 2kbs s PHE 14 N -0.55 1.58 -0.16 5.22 2.19 -1.26 -0.55 117.98 124.44 2kbs s PHE 14 Ca -0.06 -0.71 0.00 0.00 0.33 0.00 0.00 56.93 56.49 2kbs s PHE 14 Cb -0.04 -1.21 0.00 0.00 -1.31 0.00 0.00 43.02 40.46 2kbs s PHE 14 CO 0.00 -0.42 -0.16 0.42 1.83 0.00 0.00 175.22 176.89 2kbs s ILE 15 N 1.16 2.56 -0.26 3.12 -1.09 -0.92 -4.86 121.20 120.91 2kbs s ILE 15 Ca -0.05 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.60 2kbs s ILE 15 Cb -0.14 -2.08 0.06 0.00 -1.58 0.00 0.00 42.46 38.72 2kbs s ILE 15 CO -0.03 0.51 -0.09 -0.55 -1.23 0.00 0.00 174.94 173.55 2kbs s SER 16 N 0.94 4.41 -1.36 3.58 0.15 -1.24 -1.48 113.70 118.70 2kbs s SER 16 Ca -0.03 -1.42 -0.09 0.00 0.70 0.00 0.00 55.95 55.11 2kbs s SER 16 Cb -0.15 -1.52 -0.09 0.00 -1.71 0.00 0.00 66.02 62.56 2kbs s SER 16 CO -0.02 -0.21 2.98 -0.11 1.20 0.00 0.00 173.24 177.08 2kbs n LEU 17 N 4.44 8.20 -2.17 3.45 -0.00 -0.95 -3.88 117.00 126.10 2kbs n LEU 17 Ca -0.13 -4.27 -0.03 0.00 -0.00 0.00 0.00 56.01 51.58 2kbs n LEU 17 Cb 0.42 -1.51 0.07 0.00 -0.00 0.00 0.00 43.42 42.40 2kbs n LEU 17 CO 0.21 2.02 0.55 1.33 -0.00 0.00 0.00 177.39 181.50 2kbs n VAL 18 N 3.17 0.00 0.00 1.96 0.24 -1.26 -4.91 118.33 117.53 2kbs n VAL 18 Ca 0.72 -0.70 -0.03 0.00 -2.04 0.00 0.00 64.34 62.29 2kbs n VAL 18 Cb 0.33 0.85 -0.01 0.00 -1.47 0.00 0.00 33.84 33.53 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbs n GLY 19 N -1.09 -0.20 1.21 7.63 0.00 -1.25 -5.05 105.19 106.44 2kbs n GLY 19 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbs n SER 20 N -3.78 0.00 -4.21 1.61 3.41 -1.26 -5.15 113.62 104.23 2kbs n SER 20 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2kbs n SER 20 Cb 0.20 0.29 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 2kbs n SER 20 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kbs s ARG 21 N -1.61 1.10 0.00 4.33 3.00 -1.26 -5.16 118.95 119.35 2kbs s ARG 21 Ca 0.00 -1.55 0.00 0.00 -1.00 0.00 0.00 55.73 53.18 2kbs s ARG 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34.95 34.95 2kbs s ARG 21 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.30 175.47 2kbs n GLY 22 N -0.22 -3.30 0.14 8.12 0.00 -1.26 -4.59 105.19 104.07 2kbs n GLY 22 Ca -0.04 -1.11 -0.01 0.00 0.00 0.00 0.00 46.02 44.86 2kbs n GLY 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kbs h LEU 23 N 0.00 0.00 -1.78 0.99 5.85 -1.95 -2.93 115.31 115.49 2kbs h LEU 23 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 2kbs h LEU 23 Cb 0.00 0.00 0.14 0.00 0.37 0.00 0.00 40.66 41.17 2kbs h LEU 23 CO 0.00 0.62 -0.65 0.61 -0.34 0.00 0.00 178.44 178.68 2kbs n GLY 24 N 0.29 -0.28 3.47 3.75 0.00 -1.26 0.03 105.19 111.19 2kbs n GLY 24 Ca -0.01 0.04 -0.13 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 -2.24 4.36 -0.04 0.00 0.01 -1.08 -4.99 113.70 109.73 2kbs s SER 26 Ca -0.02 -1.25 -0.02 0.00 1.31 0.00 0.00 55.95 55.97 2kbs s SER 26 Cb -0.01 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.16 2kbs s SER 26 CO -0.06 -0.72 0.09 0.27 0.41 0.00 0.00 173.24 173.23 2kbs s ILE 27 N -2.70 -0.03 0.29 1.44 -4.36 -1.26 -0.11 121.20 114.46 2kbs s ILE 27 Ca 0.32 0.13 0.08 0.00 -0.26 0.00 0.00 60.65 60.92 2kbs s ILE 27 Cb 0.03 -0.15 -0.04 0.00 1.25 0.00 0.00 42.46 43.55 2kbs s ILE 27 CO 0.18 0.05 0.15 -0.44 0.24 0.00 0.00 174.94 175.12 2kbs s SER 28 N 0.74 5.03 0.00 4.36 0.01 -0.50 -4.80 113.70 118.54 2kbs s SER 28 Ca -0.06 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2kbs s SER 28 Cb -0.08 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 2kbs s SER 28 CO -0.03 -0.15 0.07 -0.55 0.41 0.00 0.00 173.24 172.99 2kbs s SER 29 N -3.83 5.60 0.46 2.44 0.15 -1.26 0.00 113.70 117.27 2kbs s SER 29 Ca 0.35 0.12 -0.04 0.00 0.70 0.00 0.00 55.95 57.08 2kbs s SER 29 Cb -0.06 -1.59 -0.03 0.00 -1.71 0.00 0.00 66.02 62.63 2kbs s SER 29 CO 0.23 0.27 0.75 -0.83 1.20 0.00 0.00 173.24 174.86 2kbs s GLY 30 N -1.77 1.48 0.00 9.45 0.00 -0.86 -4.92 107.32 110.70 2kbs s GLY 30 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2kbs s GLY 30 CO 0.14 -0.44 0.00 -1.55 0.00 0.00 0.00 173.10 171.25 2kbs n PRO 31 N -2.19 0.83 0.08 2.90 -0.04 -1.25 -4.41 135.00 130.92 2kbs n PRO 31 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2kbs n PRO 31 Cb 0.55 0.00 -0.04 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 -0.53 1.59 -0.12 0.52 2.04 -1.99 -1.44 117.51 117.59 2kbs h ILE 32 Ca 0.00 -3.05 -0.06 0.00 1.00 0.00 0.00 64.86 62.75 2kbs h ILE 32 Cb 0.00 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2kbs h ILE 32 CO 0.00 0.86 -0.22 1.56 0.00 0.00 0.00 178.15 180.35 2kbs h GLN 33 N 0.00 0.20 -0.83 2.37 4.20 -2.05 -3.37 115.11 115.63 2kbs h GLN 33 Ca -0.01 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.37 2kbs h GLN 33 Cb 1.59 -0.02 -0.20 0.00 0.30 0.00 0.00 27.48 29.15 2kbs h GLN 33 CO 0.11 0.42 -0.62 1.63 -0.67 0.00 0.00 178.83 179.70 2kbs n LYS 34 N -4.20 0.63 -2.36 1.46 5.02 -1.22 -5.13 118.16 112.37 2kbs n LYS 34 Ca -0.01 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.69 2kbs n LYS 34 Cb 0.33 -1.46 -0.03 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 -0.52 0.00 0.00 177.40 175.63 2kbs s PRO 35 N 0.45 4.34 -0.05 1.97 0.04 -0.55 -3.89 135.00 137.31 2kbs s PRO 35 Ca 0.32 1.81 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 2kbs s PRO 35 Cb 0.13 -3.53 0.09 0.00 0.04 0.00 0.00 34.50 31.23 2kbs s PRO 35 CO -0.16 -0.47 1.20 0.41 0.04 0.00 0.00 177.00 178.01 2kbs n GLY 36 N 3.45 0.19 3.59 0.56 0.00 -1.26 -4.86 105.19 106.86 2kbs n GLY 36 Ca 0.11 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.02 5.01 0.42 -0.61 -1.09 -1.26 -2.02 121.20 119.64 2kbs s ILE 37 Ca 0.28 0.62 0.08 0.00 -2.23 0.00 0.00 60.65 59.40 2kbs s ILE 37 Cb -0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2kbs s ILE 37 CO -0.02 -0.11 0.37 -0.36 -1.23 0.00 0.00 174.94 173.59 2kbs s PHE 38 N 2.43 2.65 -0.16 3.97 0.40 0.10 -1.34 117.98 126.02 2kbs s PHE 38 Ca 0.21 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.98 2kbs s PHE 38 Cb -0.15 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.20 2kbs s PHE 38 CO 0.12 -0.12 -0.01 0.42 0.70 0.00 0.00 175.22 176.33 2kbs s ILE 39 N -2.50 4.13 0.00 0.64 -1.09 -0.07 -1.41 121.20 120.90 2kbs s ILE 39 Ca 0.47 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2kbs s ILE 39 Cb -0.02 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 2kbs s ILE 39 CO 0.27 0.48 0.00 -0.24 -1.23 0.00 0.00 174.94 174.22 2kbs n SER 40 N 3.57 0.00 -4.51 3.58 2.88 0.84 -2.52 113.62 117.45 2kbs n SER 40 Ca -0.17 -0.97 -0.45 0.00 -1.33 0.00 0.00 58.87 55.95 2kbs n SER 40 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2kbs n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbs n HIS 41 N -1.07 0.46 -4.19 0.66 -0.00 -1.26 -4.02 115.22 105.80 2kbs n HIS 41 Ca 0.00 0.75 -0.24 0.00 -0.00 0.00 0.00 57.72 58.23 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 -1.13 3.96 0.06 0.61 1.01 -1.26 -2.63 120.40 121.02 2kbs s VAL 42 Ca 0.61 -1.51 0.09 0.00 0.00 0.00 0.00 61.98 61.17 2kbs s VAL 42 Cb -0.74 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2kbs s VAL 42 CO 0.59 -0.26 -0.25 -0.54 0.00 0.00 0.00 175.10 174.63 2kbs s LYS 43 N -3.45 1.66 1.17 2.72 1.02 0.40 -4.97 119.74 118.30 2kbs s LYS 43 Ca 0.31 -1.11 -0.16 0.00 0.02 0.00 0.00 55.97 55.02 2kbs s LYS 43 Cb -0.08 -1.87 0.27 0.00 -0.52 0.00 0.00 37.83 35.63 2kbs s LYS 43 CO 0.21 0.48 1.06 -2.14 -0.92 0.00 0.00 175.35 174.04 2kbs s PRO 44 N -1.35 -0.94 -1.54 -1.68 0.02 -1.26 -3.99 135.00 124.26 2kbs s PRO 44 Ca 0.11 0.33 -0.11 0.00 0.02 0.00 0.00 61.00 61.36 2kbs s PRO 44 Cb -0.10 -1.59 0.08 0.00 0.02 0.00 0.00 34.50 32.91 2kbs s PRO 44 CO 0.03 -3.61 0.78 0.41 -0.33 0.00 0.00 177.00 174.28 2kbs n GLY 45 N -0.25 -0.40 1.40 0.52 0.00 -1.26 -4.95 105.19 100.25 2kbs n GLY 45 Ca 0.08 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2kbs n GLY 45 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbs n SER 46 N -2.83 0.18 0.05 1.61 7.64 -1.26 -4.72 113.62 114.29 2kbs n SER 46 Ca -0.06 -1.94 -0.16 0.00 1.01 0.00 0.00 58.87 57.72 2kbs n SER 46 Cb 0.56 0.62 -0.14 0.00 -1.01 0.00 0.00 64.21 64.25 2kbs n SER 46 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kbs h LEU 47 N 0.00 0.34 -0.92 -3.43 3.38 -1.27 -3.11 115.31 110.30 2kbs h LEU 47 Ca -0.11 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.45 2kbs h LEU 47 Cb 0.52 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2kbs h LEU 47 CO 0.17 1.41 0.57 0.77 0.09 0.00 0.00 178.44 181.46 2kbs h SER 48 N 0.06 0.88 -0.21 -0.43 4.64 -0.67 0.36 113.55 118.18 2kbs h SER 48 Ca -0.25 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 60.90 2kbs h SER 48 Cb 2.01 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.95 2kbs h SER 48 CO 0.15 0.53 -0.67 0.00 -0.87 0.00 0.00 176.83 175.97 2kbs h ALA 49 N 1.45 0.36 -0.98 5.18 0.00 -1.78 0.27 119.26 123.77 2kbs h ALA 49 Ca 0.42 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2kbs h ALA 49 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2kbs h ALA 49 CO -0.21 0.66 0.65 0.93 0.00 0.00 0.00 179.25 181.28 2kbs h GLU 50 N 0.57 1.27 0.01 0.00 4.39 -1.26 -2.34 114.58 117.23 2kbs h GLU 50 Ca -0.03 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.38 2kbs h GLU 50 Cb 1.30 -0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 2kbs h GLU 50 CO 0.14 0.84 -1.04 -0.39 -1.16 0.00 0.00 179.01 177.40 2kbs h VAL 51 N 1.31 1.67 0.00 3.13 -1.51 -0.94 -3.49 116.25 116.43 2kbs h VAL 51 Ca 0.36 -3.38 0.00 0.00 -1.23 0.00 0.00 66.70 62.45 2kbs h VAL 51 Cb -0.13 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2kbs h VAL 51 CO -0.08 0.95 0.00 0.61 -1.23 0.00 0.00 177.57 177.82 2kbs n GLY 52 N 1.37 0.82 3.80 5.19 0.00 -0.19 -5.01 105.19 111.17 2kbs n GLY 52 Ca -0.01 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 3.48 -0.07 0.99 1.43 0.78 -5.00 118.68 120.29 2kbs s LEU 53 Ca 0.00 -0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 2kbs s LEU 53 Cb 0.00 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.29 2kbs s LEU 53 CO 0.00 -0.30 1.10 -1.61 0.23 0.00 0.00 176.35 175.77 2kbs s GLU 54 N -3.92 0.56 0.39 1.70 2.02 -1.26 -4.80 118.70 113.39 2kbs s GLU 54 Ca 0.39 -0.24 -0.28 0.00 0.02 0.00 0.00 54.97 54.86 2kbs s GLU 54 Cb -0.05 0.24 -0.11 0.00 0.10 0.00 0.00 34.13 34.31 2kbs s GLU 54 CO 0.25 -0.25 1.48 -0.89 0.02 0.00 0.00 175.26 175.87 2kbs n ILE 55 N -0.24 2.13 0.00 -1.63 5.41 -1.26 -2.93 119.36 120.85 2kbs n ILE 55 Ca -0.04 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2kbs n ILE 55 Cb 0.60 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 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 0.46 2.86 3.55 7.39 0.00 -1.05 -4.92 105.19 113.48 2kbs n GLY 56 Ca 0.02 -0.82 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2kbs n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kbs n ASP 57 N 0.45 -0.59 -3.68 1.61 9.92 -1.15 0.13 116.55 123.25 2kbs n ASP 57 Ca 0.00 0.48 -0.24 0.00 -0.53 0.00 0.00 54.79 54.50 2kbs n ASP 57 Cb 0.00 -1.34 -0.17 0.00 -0.64 0.00 0.00 41.12 38.97 2kbs n ASP 57 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2kbs s GLN 58 N -3.73 0.19 -0.06 -1.24 -0.44 -1.25 -0.89 119.66 112.25 2kbs s GLN 58 Ca 0.65 0.05 -0.30 0.00 -2.50 0.00 0.00 55.36 53.27 2kbs s GLN 58 Cb -0.27 -1.29 -0.05 0.00 -1.64 0.00 0.00 33.01 29.76 2kbs s GLN 58 CO 0.59 -0.49 1.54 0.42 0.50 0.00 0.00 175.29 177.84 2kbs s ILE 59 N 2.08 3.71 -1.07 -2.34 1.01 -0.45 -2.32 121.20 121.82 2kbs s ILE 59 Ca 0.03 0.92 0.12 0.00 0.00 0.00 0.00 60.65 61.72 2kbs s ILE 59 Cb -0.14 -3.59 0.34 0.00 0.01 0.00 0.00 42.46 39.07 2kbs s ILE 59 CO -0.06 -0.06 1.28 1.33 0.00 0.00 0.00 174.94 177.42 2kbs n VAL 60 N 5.29 0.97 -3.63 2.92 0.24 0.53 -4.40 118.33 120.25 2kbs n VAL 60 Ca 0.16 -0.98 -0.05 0.00 -2.04 0.00 0.00 64.34 61.42 2kbs n VAL 60 Cb 0.43 0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 33.27 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 -1.00 0.26 -0.26 7.34 2.56 -0.89 -3.44 118.70 123.28 2kbs s GLU 61 Ca 0.26 0.14 -0.01 0.00 0.00 0.00 0.00 54.97 55.35 2kbs s GLU 61 Cb 0.14 0.13 0.14 0.00 2.00 0.00 0.00 34.13 36.53 2kbs s GLU 61 CO 0.18 -0.07 0.37 0.08 -0.56 0.00 0.00 175.26 175.27 2kbs s VAL 62 N -0.65 -0.59 -1.65 3.70 1.01 -0.85 -0.36 120.40 121.00 2kbs s VAL 62 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kbs s VAL 62 Cb -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.50 2kbs s VAL 62 CO -0.07 -0.19 0.11 -3.20 0.00 0.00 0.00 175.10 171.75 2kbs n ASN 63 N 5.36 -5.68 0.00 3.32 2.85 0.21 -1.17 115.26 120.15 2kbs n ASN 63 Ca -0.03 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2kbs n ASN 63 Cb 0.50 -4.71 0.00 0.00 1.24 0.00 0.00 39.78 36.81 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 -1.08 2.99 3.72 8.20 0.00 -1.26 -5.00 105.19 112.76 2kbs n GLY 64 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.47 2.07 -0.44 1.61 1.01 -0.32 -4.90 120.40 116.97 2kbs s VAL 65 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 2kbs s VAL 65 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2kbs s VAL 65 CO 0.00 0.00 1.65 -1.81 0.00 0.00 0.00 175.10 174.94 2kbs s ASP 66 N 1.28 5.93 0.00 3.32 1.01 -1.26 -2.01 116.67 124.94 2kbs s ASP 66 Ca 0.75 0.84 0.31 0.00 0.71 0.00 0.00 52.55 55.16 2kbs s ASP 66 Cb -0.49 -2.53 1.69 0.00 1.01 0.00 0.00 42.92 42.59 2kbs s ASP 66 CO 0.32 -1.76 2.10 0.49 0.21 0.00 0.00 175.17 176.54 2kbs n PHE 67 N 10.25 0.00 0.25 4.23 3.01 -1.22 -3.94 117.46 130.03 2kbs n PHE 67 Ca 0.19 -0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.49 2kbs n PHE 67 Cb 0.48 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.60 -0.48 -0.68 4.37 0.87 -1.86 -3.13 113.55 113.23 2kbs h SER 68 Ca 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.15 2kbs h SER 68 Cb 0.13 0.13 -0.24 0.00 -0.44 0.00 0.00 62.40 61.97 2kbs h SER 68 CO 0.00 -0.33 0.15 0.59 -0.53 0.00 0.00 176.83 176.71 2kbs n ASN 69 N -5.33 4.21 -4.88 6.23 4.13 -1.26 -4.73 115.26 113.64 2kbs n ASN 69 Ca -0.11 -3.75 -0.33 0.00 1.68 0.00 0.00 54.58 52.07 2kbs n ASN 69 Cb 0.25 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.73 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 -3.44 4.26 0.63 3.41 2.96 -1.18 -5.10 118.68 120.22 2kbs s LEU 70 Ca 0.52 0.81 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2kbs s LEU 70 Cb 0.44 -3.36 0.05 0.00 0.50 0.00 0.00 46.19 43.83 2kbs s LEU 70 CO 0.02 0.04 0.90 -0.62 -1.32 0.00 0.00 176.35 175.38 2kbs s ASP 71 N -2.17 4.98 0.05 3.68 -1.08 -1.26 -4.63 116.67 116.25 2kbs s ASP 71 Ca 0.41 0.18 -0.27 0.00 -0.52 0.00 0.00 52.55 52.35 2kbs s ASP 71 Cb -0.13 -0.91 -0.17 0.00 -1.46 0.00 0.00 42.92 40.25 2kbs s ASP 71 CO 0.21 -1.41 1.53 -0.74 0.52 0.00 0.00 175.17 175.28 2kbs h HIS 72 N -0.29 -0.33 -0.86 -5.34 6.17 -1.97 -1.78 115.15 110.76 2kbs h HIS 72 Ca -0.43 -0.01 0.06 0.00 0.71 0.00 0.00 60.37 60.71 2kbs h HIS 72 Cb 1.30 0.11 -0.05 0.00 2.52 0.00 0.00 27.41 31.29 2kbs h HIS 72 CO 0.30 -0.11 0.56 0.87 0.71 0.00 0.00 177.93 180.26 2kbs h LYS 73 N -0.50 0.94 -0.52 5.26 1.57 -1.99 -1.35 116.57 119.97 2kbs h LYS 73 Ca -0.04 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2kbs h LYS 73 Cb 0.37 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2kbs h LYS 73 CO 0.06 0.62 0.05 0.93 -0.57 0.00 0.00 179.45 180.54 2kbs h GLU 74 N 0.96 0.86 -0.42 3.15 5.08 -1.91 0.30 114.58 122.61 2kbs h GLU 74 Ca 0.36 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 2kbs h GLU 74 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2kbs h GLU 74 CO -0.13 0.83 -0.12 0.00 -1.00 0.00 0.00 179.01 178.59 2kbs h ALA 75 N 1.24 0.58 -0.11 3.43 0.00 -0.37 -2.23 119.26 121.80 2kbs h ALA 75 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kbs h ALA 75 Cb 0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2kbs h ALA 75 CO 0.01 0.47 -0.17 0.28 0.00 0.00 0.00 179.25 179.84 2kbs h VAL 76 N 0.64 1.38 0.21 0.00 2.07 -1.18 -2.16 116.25 117.21 2kbs h VAL 76 Ca 0.10 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.22 2kbs h VAL 76 Cb 0.65 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 2kbs h VAL 76 CO 0.04 0.41 -0.33 -1.13 0.02 0.00 0.00 177.57 176.58 2kbs h ASN 77 N -0.12 -0.93 -0.52 0.57 -0.73 -0.96 0.50 115.58 113.40 2kbs h ASN 77 Ca 0.01 0.10 0.03 0.00 1.87 0.00 0.00 56.30 58.30 2kbs h ASN 77 Cb 0.74 0.34 -0.04 0.00 0.27 0.00 0.00 38.32 39.63 2kbs h ASN 77 CO 0.04 -0.44 0.30 -0.37 -0.37 0.00 0.00 177.43 176.59 2kbs h VAL 78 N -0.61 1.03 -0.06 2.57 -1.51 -1.49 0.66 116.25 116.84 2kbs h VAL 78 Ca 0.01 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.22 2kbs h VAL 78 Cb 0.60 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2kbs h VAL 78 CO -0.14 0.11 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.02 2kbs h LEU 79 N 0.59 0.09 0.01 4.19 -0.00 -1.05 -2.13 115.31 117.01 2kbs h LEU 79 Ca 0.21 -0.02 -0.24 0.00 -0.00 0.00 0.00 57.88 57.83 2kbs h LEU 79 Cb 0.05 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 2kbs h LEU 79 CO -0.11 0.32 -1.20 0.11 -0.00 0.00 0.00 178.44 177.56 2kbs h LYS 80 N 0.09 0.02 0.19 1.13 6.56 0.98 -3.38 116.57 122.15 2kbs h LYS 80 Ca 0.02 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 2kbs h LYS 80 Cb 0.44 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 2kbs h LYS 80 CO 0.03 0.90 -0.09 1.03 -2.06 0.00 0.00 179.45 179.26 2kbs h SER 81 N 0.01 -0.21 -3.62 0.86 0.87 0.71 -3.45 113.55 108.72 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 1.85 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.83 2kbs h SER 81 CO 0.12 -0.09 0.14 -0.44 -0.53 0.00 0.00 176.83 176.04 2kbs s SER 82 N -3.10 7.08 -0.17 6.23 0.01 -0.84 -5.01 113.70 117.90 2kbs s SER 82 Ca -0.04 1.47 -0.13 0.00 1.31 0.00 0.00 55.95 58.56 2kbs s SER 82 Cb 0.00 -2.44 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2kbs s SER 82 CO 0.11 0.00 -0.16 0.54 0.41 0.00 0.00 173.24 174.15 2kbs n ARG 83 N 0.64 0.50 -2.82 12.44 1.74 -1.26 -4.64 116.66 123.26 2kbs n ARG 83 Ca -0.01 0.46 -0.44 0.00 -0.77 0.00 0.00 57.85 57.09 2kbs n ARG 83 Cb 0.51 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2kbs n ARG 83 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kbs n SER 84 N -4.53 5.21 -4.51 0.55 3.41 -1.24 -2.23 113.62 110.27 2kbs n SER 84 Ca -0.16 -3.01 -0.33 0.00 -0.26 0.00 0.00 58.87 55.10 2kbs n SER 84 Cb 0.43 -1.54 -0.12 0.00 -0.26 0.00 0.00 64.21 62.71 2kbs n SER 84 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2kbs s LEU 85 N 1.09 2.92 -0.32 1.04 0.05 -0.55 -4.97 118.68 117.94 2kbs s LEU 85 Ca 0.42 -0.13 -0.18 0.00 0.05 0.00 0.00 54.13 54.28 2kbs s LEU 85 Cb 0.00 -1.62 -0.01 0.00 -2.05 0.00 0.00 46.19 42.51 2kbs s LEU 85 CO 0.00 0.34 0.53 -0.89 -0.55 0.00 0.00 176.35 175.78 2kbs s THR 86 N -0.68 5.02 -0.17 5.48 2.01 -1.26 -2.17 115.64 123.87 2kbs s THR 86 Ca 0.10 0.59 -0.03 0.00 0.31 0.00 0.00 61.69 62.66 2kbs s THR 86 Cb -0.11 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2kbs s THR 86 CO 0.01 -0.11 -0.06 0.27 -0.69 0.00 0.00 174.62 174.04 2kbs s ILE 87 N 2.41 3.55 -0.52 1.82 -4.36 0.28 0.67 121.20 125.06 2kbs s ILE 87 Ca 0.20 -0.47 -0.17 0.00 -0.26 0.00 0.00 60.65 59.95 2kbs s ILE 87 Cb -0.15 -2.55 0.08 0.00 1.25 0.00 0.00 42.46 41.09 2kbs s ILE 87 CO 0.12 0.48 0.54 -0.55 0.24 0.00 0.00 174.94 175.77 2kbs s SER 88 N 0.64 6.18 0.10 4.36 0.15 0.51 -1.39 113.70 124.26 2kbs s SER 88 Ca -0.04 -1.30 0.03 0.00 0.70 0.00 0.00 55.95 55.35 2kbs s SER 88 Cb -0.15 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2kbs s SER 88 CO 0.02 -0.84 0.10 -0.51 1.20 0.00 0.00 173.24 173.21 2kbs s ILE 89 N 2.13 4.55 -0.20 6.45 -1.16 0.36 -0.35 121.20 132.98 2kbs s ILE 89 Ca 0.09 -0.84 0.01 0.00 -0.51 0.00 0.00 60.65 59.39 2kbs s ILE 89 Cb -0.24 -3.23 0.04 0.00 0.61 0.00 0.00 42.46 39.65 2kbs s ILE 89 CO 0.08 0.06 -0.09 -0.69 -2.81 0.00 0.00 174.94 171.48 2kbs s VAL 90 N -1.49 1.58 0.28 4.00 1.01 -0.98 0.13 120.40 124.93 2kbs s VAL 90 Ca 0.30 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2kbs s VAL 90 Cb -0.12 -1.68 -0.13 0.00 0.00 0.00 0.00 36.38 34.45 2kbs s VAL 90 CO 0.23 0.14 1.38 0.00 0.00 0.00 0.00 175.10 176.84 2kbs n ALA 91 N 4.70 1.27 0.00 5.51 0.00 -1.26 -1.51 120.51 129.22 2kbs n ALA 91 Ca -0.14 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2kbs n ALA 91 Cb 0.46 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.37 0.00 0.32 0.00 0.00 -1.26 -4.83 120.51 116.11 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 0.33 0.00 1.06 0.00 0.00 0.00 0.00 19.45 20.85 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 1.22 0.00 0.00 0.00 -1.51 -2.86 119.26 116.10 2kbs h ALA 93 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 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 -0.11 -1.22 0.41 0.00 0.00 0.00 179.25 178.34 2kbs n GLY 94 N -1.17 -0.16 0.37 0.00 0.00 -0.83 -4.67 105.19 98.73 2kbs n GLY 94 Ca -0.02 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.46 -0.89 1.61 3.08 0.13 0.39 114.38 119.16 2kbs h ARG 95 Ca -0.09 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.08 2kbs h ARG 95 Cb 1.20 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 31.07 2kbs h ARG 95 CO 0.00 0.31 0.57 1.49 -1.07 0.00 0.00 179.97 181.27 2kbs h GLU 96 N 0.48 0.66 0.23 0.04 4.81 -1.80 -0.48 114.58 118.53 2kbs h GLU 96 Ca 0.34 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2kbs h GLU 96 Cb 0.65 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2kbs h GLU 96 CO -0.11 0.44 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.43 2kbs h LEU 97 N 0.68 -0.27 -1.91 1.64 -0.00 -1.23 -3.19 115.31 111.04 2kbs h LEU 97 Ca 0.45 -0.26 0.26 0.00 -0.00 0.00 0.00 57.88 58.33 2kbs h LEU 97 Cb 0.73 0.07 -0.04 0.00 -0.00 0.00 0.00 40.66 41.41 2kbs h LEU 97 CO -0.20 0.23 0.66 -0.26 -0.00 0.00 0.00 178.44 178.86 2kbs h PHE 98 N -0.88 0.10 -2.79 1.13 0.04 -1.14 -3.39 116.94 110.01 2kbs h PHE 98 Ca -0.03 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.19 2kbs h PHE 98 Cb 0.51 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2kbs h PHE 98 CO 0.06 0.02 0.96 -1.64 -0.60 0.00 0.00 178.31 177.10 2kbs s MET 99 N -5.05 4.23 0.00 1.51 -1.94 -0.24 -5.11 119.30 112.69 2kbs s MET 99 Ca -0.06 1.99 0.29 0.00 -1.71 0.00 0.00 55.69 56.20 2kbs s MET 99 Cb 0.22 -3.78 1.75 0.00 2.01 0.00 0.00 34.83 35.02 2kbs s MET 99 CO 0.78 -0.72 2.08 2.41 -0.01 0.00 0.00 175.02 179.56