#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 4.23 -0.01 1.64 8.01 -1.26 -3.95 118.70 127.35 2kbs s GLU 10 Ca 0.00 1.50 0.07 0.00 0.01 0.00 0.00 54.97 56.55 2kbs s GLU 10 Cb 0.00 -2.59 -0.02 0.00 -4.31 0.00 0.00 34.13 27.20 2kbs s GLU 10 CO 0.00 -0.08 -0.22 0.21 0.01 0.00 0.00 175.26 175.18 2kbs s LYS 11 N -2.41 2.16 -0.10 1.61 2.20 0.25 -4.96 119.74 118.49 2kbs s LYS 11 Ca 0.56 -0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 55.25 2kbs s LYS 11 Cb -0.22 -2.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.93 2kbs s LYS 11 CO 0.28 0.57 0.01 0.15 -0.36 0.00 0.00 175.35 175.99 2kbs s LYS 12 N -0.83 3.10 -0.01 4.03 -0.14 -1.26 -0.31 119.74 124.31 2kbs s LYS 12 Ca 0.11 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.32 2kbs s LYS 12 Cb -0.10 -2.84 0.01 0.00 -1.68 0.00 0.00 37.83 33.22 2kbs s LYS 12 CO 0.01 0.66 0.01 0.08 -0.76 0.00 0.00 175.35 175.34 2kbs s VAL 13 N -0.75 -0.02 -0.20 3.17 1.01 -0.53 -4.94 120.40 118.15 2kbs s VAL 13 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2kbs s VAL 13 Cb -0.12 -0.03 0.03 0.00 0.00 0.00 0.00 36.38 36.26 2kbs s VAL 13 CO 0.02 0.03 -0.17 0.12 0.00 0.00 0.00 175.10 175.10 2kbs s PHE 14 N 0.36 2.90 -0.20 5.22 2.19 -1.26 -0.63 117.98 126.56 2kbs s PHE 14 Ca -0.03 -1.77 -0.06 0.00 0.33 0.00 0.00 56.93 55.41 2kbs s PHE 14 Cb -0.04 -1.93 -0.03 0.00 -1.31 0.00 0.00 43.02 39.70 2kbs s PHE 14 CO -0.01 -0.81 0.02 0.42 1.83 0.00 0.00 175.22 176.67 2kbs s ILE 15 N 1.26 4.25 -0.13 3.12 -1.09 -0.87 -4.97 121.20 122.75 2kbs s ILE 15 Ca 0.02 -0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2kbs s ILE 15 Cb -0.15 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.87 2kbs s ILE 15 CO -0.11 0.43 0.08 -0.94 -1.23 0.00 0.00 174.94 173.18 2kbs s SER 16 N 0.81 2.02 -0.18 3.58 1.04 -1.24 -0.99 113.70 118.73 2kbs s SER 16 Ca 0.02 -0.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.74 2kbs s SER 16 Cb -0.14 -0.23 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 2kbs s SER 16 CO 0.02 -0.32 2.11 -0.22 0.98 0.00 0.00 173.24 175.82 2kbs s LEU 17 N 2.14 3.64 -0.35 2.42 0.20 -1.22 -4.93 118.68 120.59 2kbs s LEU 17 Ca 0.03 1.97 -0.01 0.00 0.69 0.00 0.00 54.13 56.81 2kbs s LEU 17 Cb -0.15 -3.52 0.12 0.00 -0.43 0.00 0.00 46.19 42.22 2kbs s LEU 17 CO -0.07 -1.75 0.17 0.68 -0.29 0.00 0.00 176.35 175.09 2kbs s VAL 18 N 7.38 0.51 0.00 1.68 -7.23 -1.26 -4.93 120.40 116.55 2kbs s VAL 18 Ca 0.95 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2kbs s VAL 18 Cb -0.33 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2kbs s VAL 18 CO 0.36 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 2kbs n GLY 19 N 4.40 0.03 1.46 2.32 0.00 -1.26 -4.97 105.19 107.17 2kbs n GLY 19 Ca 0.04 -0.36 0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.66 -8.76 -2.31 1.61 7.64 -1.26 -5.01 113.62 104.86 2kbs n SER 20 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2kbs n SER 20 Cb 0.32 -4.62 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 2kbs n SER 20 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kbs n ARG 21 N -4.32 -5.12 0.03 1.43 1.74 -1.26 -4.96 116.66 104.19 2kbs n ARG 21 Ca -0.02 3.72 -0.01 0.00 -0.77 0.00 0.00 57.85 60.77 2kbs n ARG 21 Cb 0.68 -4.64 -0.01 0.00 -1.02 0.00 0.00 32.46 27.47 2kbs n ARG 21 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2kbs h GLY 22 N 4.18 -0.07 0.00 -0.13 0.00 -1.98 -3.41 103.07 101.66 2kbs h GLY 22 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2kbs h GLY 22 CO 0.00 -0.03 -0.43 -0.10 0.00 0.00 0.00 176.54 175.98 2kbs n LEU 23 N -2.28 0.24 0.00 3.11 7.94 -1.26 -4.36 117.00 120.39 2kbs n LEU 23 Ca -0.01 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2kbs n LEU 23 Cb 0.03 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kbs n LEU 23 CO 0.02 -0.38 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 2kbs n GLY 24 N 2.61 1.41 3.21 -3.96 0.00 -1.26 -0.11 105.19 107.09 2kbs n GLY 24 Ca 0.00 -0.21 -0.09 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 -2.76 4.39 0.05 0.00 0.01 -1.07 -4.99 113.70 109.32 2kbs s SER 26 Ca 0.04 -1.25 -0.00 0.00 1.31 0.00 0.00 55.95 56.05 2kbs s SER 26 Cb 0.04 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 2kbs s SER 26 CO -0.10 -0.73 -0.04 0.27 0.41 0.00 0.00 173.24 173.05 2kbs s ILE 27 N -2.70 0.26 0.20 1.44 -4.36 -1.26 -0.08 121.20 114.70 2kbs s ILE 27 Ca 0.32 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.16 2kbs s ILE 27 Cb 0.02 -1.23 -0.05 0.00 1.25 0.00 0.00 42.46 42.45 2kbs s ILE 27 CO 0.18 -0.86 -0.08 -0.94 0.24 0.00 0.00 174.94 173.48 2kbs s SER 28 N -2.57 2.15 -0.08 4.36 1.04 -0.72 -4.73 113.70 113.15 2kbs s SER 28 Ca 0.02 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.33 2kbs s SER 28 Cb 0.03 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2kbs s SER 28 CO -0.07 -0.33 0.05 -0.44 0.98 0.00 0.00 173.24 173.42 2kbs s SER 29 N -3.28 5.59 0.49 7.02 0.01 -1.26 -0.57 113.70 121.71 2kbs s SER 29 Ca 0.23 0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.68 2kbs s SER 29 Cb 0.03 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.59 2kbs s SER 29 CO 0.06 0.37 0.77 -0.83 0.41 0.00 0.00 173.24 174.02 2kbs s GLY 30 N -1.05 1.52 0.00 3.44 0.00 -1.24 -4.93 107.32 105.07 2kbs s GLY 30 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2kbs s GLY 30 CO 0.04 -0.51 0.00 -1.55 0.00 0.00 0.00 173.10 171.09 2kbs n PRO 31 N -2.27 1.04 0.06 2.90 -0.04 -1.25 -4.33 135.00 131.10 2kbs n PRO 31 Ca 0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.44 2kbs n PRO 31 Cb 0.56 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.86 1.01 0.00 0.52 2.04 -1.98 -1.91 117.51 116.32 2kbs h ILE 32 Ca 0.00 -2.60 -0.18 0.00 1.00 0.00 0.00 64.86 63.08 2kbs h ILE 32 Cb 0.00 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 2kbs h ILE 32 CO 0.00 0.57 -0.84 1.56 0.00 0.00 0.00 178.15 179.45 2kbs h GLN 33 N 0.00 0.00 -1.89 2.37 4.20 -2.05 -3.37 115.11 114.36 2kbs h GLN 33 Ca -0.10 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.13 2kbs h GLN 33 Cb 1.67 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.07 2kbs h GLN 33 CO 0.08 0.84 -1.15 1.63 -0.67 0.00 0.00 178.83 179.56 2kbs n LYS 34 N -3.53 0.95 -2.43 1.46 5.02 -1.25 -5.12 118.16 113.27 2kbs n LYS 34 Ca -0.00 -3.29 -0.41 0.00 -2.02 0.00 0.00 58.31 52.58 2kbs n LYS 34 Cb 0.81 -1.64 -0.04 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.20 4.53 0.00 1.97 0.04 -0.72 -3.83 135.00 134.79 2kbs s PRO 35 Ca 0.39 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2kbs s PRO 35 Cb 0.33 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2kbs s PRO 35 CO -0.08 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2kbs n GLY 36 N 2.19 -0.82 2.91 0.56 0.00 -1.26 -4.73 105.19 104.03 2kbs n GLY 36 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.00 1.36 0.48 -0.61 -1.09 -1.26 -3.59 121.20 112.49 2kbs s ILE 37 Ca 0.00 -1.04 0.09 0.00 -2.23 0.00 0.00 60.65 57.47 2kbs s ILE 37 Cb 0.00 -1.62 0.04 0.00 -1.58 0.00 0.00 42.46 39.30 2kbs s ILE 37 CO 0.00 -0.06 0.64 -0.36 -1.23 0.00 0.00 174.94 173.93 2kbs s PHE 38 N 1.49 2.23 -0.14 3.97 0.08 0.27 -0.27 117.98 125.61 2kbs s PHE 38 Ca -0.04 -0.54 -0.03 0.00 0.12 0.00 0.00 56.93 56.43 2kbs s PHE 38 Cb -0.18 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 2kbs s PHE 38 CO -0.07 -0.69 -0.02 0.42 -0.10 0.00 0.00 175.22 174.76 2kbs s ILE 39 N -2.49 4.12 0.00 0.64 -1.09 -0.15 -1.75 121.20 120.47 2kbs s ILE 39 Ca 0.57 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 2kbs s ILE 39 Cb -0.08 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 2kbs s ILE 39 CO 0.35 0.52 0.00 -1.20 -1.23 0.00 0.00 174.94 173.38 2kbs n SER 40 N 3.08 0.61 -4.53 3.58 7.64 0.88 -2.55 113.62 122.34 2kbs n SER 40 Ca -0.18 -0.96 -0.52 0.00 1.01 0.00 0.00 58.87 58.23 2kbs n SER 40 Cb 0.53 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 2kbs n SER 40 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kbs n HIS 41 N -0.66 0.83 -4.26 1.43 8.25 -1.26 -4.03 115.22 115.51 2kbs n HIS 41 Ca 0.00 0.83 -0.31 0.00 -0.26 0.00 0.00 57.72 57.98 2kbs n HIS 41 Cb 0.00 -2.18 -0.09 0.00 1.12 0.00 0.00 29.99 28.84 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 -0.24 3.66 0.00 1.59 1.01 -1.26 -2.61 120.40 122.55 2kbs s VAL 42 Ca 0.77 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kbs s VAL 42 Cb -0.98 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kbs s VAL 42 CO 0.54 0.20 0.03 -0.54 0.00 0.00 0.00 175.10 175.33 2kbs s LYS 43 N -2.00 2.88 1.02 2.72 1.02 0.20 -4.99 119.74 120.59 2kbs s LYS 43 Ca 0.21 -0.57 -0.14 0.00 0.02 0.00 0.00 55.97 55.49 2kbs s LYS 43 Cb -0.11 -2.74 0.20 0.00 -0.52 0.00 0.00 37.83 34.66 2kbs s LYS 43 CO 0.13 0.63 1.12 -1.25 -0.92 0.00 0.00 175.35 175.07 2kbs s PRO 44 N -1.66 0.26 -1.46 -1.68 0.04 -1.26 -3.99 135.00 125.25 2kbs s PRO 44 Ca 0.21 0.25 -0.05 0.00 0.04 0.00 0.00 61.00 61.46 2kbs s PRO 44 Cb -0.12 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.70 2kbs s PRO 44 CO 0.12 -2.78 0.42 0.41 0.04 0.00 0.00 177.00 175.20 2kbs n GLY 45 N -1.56 -0.51 0.98 0.56 0.00 -1.26 -4.96 105.19 98.44 2kbs n GLY 45 Ca 0.08 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.30 0.88 -0.02 1.61 7.64 -1.26 -5.02 113.62 115.14 2kbs n SER 46 Ca -0.11 -1.64 -0.16 0.00 1.01 0.00 0.00 58.87 57.97 2kbs n SER 46 Cb 0.61 0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.23 -1.41 -3.43 -0.00 -0.78 -2.66 115.31 107.26 2kbs h LEU 47 Ca -0.09 -0.85 0.02 0.00 -0.00 0.00 0.00 57.88 56.96 2kbs h LEU 47 Cb 0.35 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 2kbs h LEU 47 CO 0.14 1.06 0.41 0.77 -0.00 0.00 0.00 178.44 180.82 2kbs h SER 48 N -0.57 0.67 -0.28 -0.43 4.64 -1.35 -1.68 113.55 114.56 2kbs h SER 48 Ca -0.05 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 2kbs h SER 48 Cb 1.13 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2kbs h SER 48 CO 0.06 0.48 -0.33 0.00 -0.87 0.00 0.00 176.83 176.16 2kbs h ALA 49 N 1.63 0.41 -0.95 5.18 0.00 -1.73 0.19 119.26 123.99 2kbs h ALA 49 Ca 0.24 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2kbs h ALA 49 Cb -0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2kbs h ALA 49 CO -0.06 0.46 0.57 0.93 0.00 0.00 0.00 179.25 181.16 2kbs h GLU 50 N 0.45 1.29 0.00 0.00 4.39 -1.04 -2.23 114.58 117.44 2kbs h GLU 50 Ca 0.04 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.46 2kbs h GLU 50 Cb 0.91 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 2kbs h GLU 50 CO 0.08 0.90 -0.74 -0.39 -1.16 0.00 0.00 179.01 177.71 2kbs h VAL 51 N 1.32 1.51 0.00 3.13 -1.51 -1.28 -3.48 116.25 115.93 2kbs h VAL 51 Ca 0.34 -2.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.27 2kbs h VAL 51 Cb -0.06 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2kbs h VAL 51 CO -0.06 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 177.61 2kbs n GLY 52 N 0.64 0.71 3.88 5.19 0.00 -0.44 -5.09 105.19 110.08 2kbs n GLY 52 Ca -0.01 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 4.36 0.16 0.99 1.43 0.55 -5.01 118.68 121.16 2kbs s LEU 53 Ca 0.00 0.59 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2kbs s LEU 53 Cb 0.00 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2kbs s LEU 53 CO 0.00 0.23 0.43 -0.70 0.23 0.00 0.00 176.35 176.54 2kbs s GLU 54 N -1.83 1.21 0.33 1.70 2.12 -1.26 -4.75 118.70 116.21 2kbs s GLU 54 Ca 0.29 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.48 2kbs s GLU 54 Cb -0.13 0.47 -0.12 0.00 0.26 0.00 0.00 34.13 34.61 2kbs s GLU 54 CO 0.17 -0.49 1.39 -0.89 -0.54 0.00 0.00 175.26 174.90 2kbs n ILE 55 N -0.27 1.71 0.00 -3.70 5.41 -1.26 -3.09 119.36 118.16 2kbs n ILE 55 Ca -0.12 -0.43 0.00 0.00 1.00 0.00 0.00 62.75 63.20 2kbs n ILE 55 Cb 0.63 -1.70 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 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 1.10 3.07 3.42 7.39 0.00 -1.06 -4.95 105.19 114.16 2kbs n GLY 56 Ca 0.05 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 0.16 -1.75 -3.59 1.61 9.92 -1.18 0.11 116.55 121.83 2kbs n ASP 57 Ca 0.00 0.04 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 2kbs n ASP 57 Cb 0.00 -1.17 -0.13 0.00 -0.64 0.00 0.00 41.12 39.18 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 -3.93 0.17 -0.09 -1.24 -0.44 -1.23 -0.98 119.66 111.92 2kbs s GLN 58 Ca 0.61 0.60 -0.30 0.00 -2.50 0.00 0.00 55.36 53.78 2kbs s GLN 58 Cb -0.19 -0.36 -0.04 0.00 -1.64 0.00 0.00 33.01 30.77 2kbs s GLN 58 CO 0.65 -0.41 1.53 0.42 0.50 0.00 0.00 175.29 177.99 2kbs s ILE 59 N 2.41 3.79 -0.17 -2.34 1.01 0.63 -2.95 121.20 123.58 2kbs s ILE 59 Ca 0.04 0.96 0.22 0.00 0.00 0.00 0.00 60.65 61.87 2kbs s ILE 59 Cb -0.13 -3.62 -0.32 0.00 0.01 0.00 0.00 42.46 38.39 2kbs s ILE 59 CO -0.10 -0.08 0.54 1.33 0.00 0.00 0.00 174.94 176.63 2kbs n VAL 60 N 5.43 0.00 -3.51 2.92 0.24 -0.15 -4.34 118.33 118.92 2kbs n VAL 60 Ca 0.16 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 2kbs n VAL 60 Cb 0.43 0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.91 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 -3.44 1.13 -0.26 7.34 2.12 -0.93 -1.20 118.70 123.46 2kbs s GLU 61 Ca -0.06 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.08 2kbs s GLU 61 Cb 0.14 0.52 0.15 0.00 0.26 0.00 0.00 34.13 35.20 2kbs s GLU 61 CO 0.90 -0.42 0.42 0.08 -0.54 0.00 0.00 175.26 175.70 2kbs s VAL 62 N -2.52 -0.69 -1.67 3.70 1.01 -0.17 -1.17 120.40 118.90 2kbs s VAL 62 Ca -0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2kbs s VAL 62 Cb -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2kbs s VAL 62 CO -0.02 -0.10 0.09 -3.20 0.00 0.00 0.00 175.10 171.87 2kbs n ASN 63 N 5.38 -5.69 0.00 3.32 2.85 0.18 -1.33 115.26 119.97 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 -4.72 0.00 0.00 1.24 0.00 0.00 39.78 36.80 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 -1.07 2.97 3.73 8.20 0.00 -1.26 -5.01 105.19 112.75 2kbs n GLY 64 Ca -0.21 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.59 2.62 -0.28 1.61 1.01 -0.44 -4.94 120.40 117.38 2kbs s VAL 65 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 2kbs s VAL 65 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kbs s VAL 65 CO 0.00 0.05 1.21 -0.62 0.00 0.00 0.00 175.10 175.74 2kbs s ASP 66 N 0.86 6.82 0.00 3.32 2.15 -1.26 -1.00 116.67 127.55 2kbs s ASP 66 Ca 0.66 1.23 0.25 0.00 0.43 0.00 0.00 52.55 55.13 2kbs s ASP 66 Cb -0.43 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.20 2kbs s ASP 66 CO 0.36 -0.95 1.45 0.49 -0.17 0.00 0.00 175.17 176.34 2kbs n PHE 67 N 7.17 0.00 0.00 -5.34 3.01 -0.34 -3.95 117.46 118.02 2kbs n PHE 67 Ca 0.14 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.77 2kbs n PHE 67 Cb 0.46 -0.24 0.65 0.00 -0.01 0.00 0.00 39.48 40.34 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 0.14 0.07 -0.15 4.37 0.87 -1.77 -2.30 113.55 114.78 2kbs h SER 68 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2kbs h SER 68 Cb 0.50 -0.01 -0.26 0.00 -0.44 0.00 0.00 62.40 62.19 2kbs h SER 68 CO 0.00 0.04 -0.83 -3.20 -0.53 0.00 0.00 176.83 172.31 2kbs n ASN 69 N -4.41 1.80 -4.89 6.23 5.15 -1.26 -4.61 115.26 113.27 2kbs n ASN 69 Ca 0.09 -2.90 -0.33 0.00 -0.60 0.00 0.00 54.58 50.84 2kbs n ASN 69 Cb 0.52 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kbs s LEU 70 N -2.10 4.32 0.93 1.20 2.96 -0.87 -5.08 118.68 120.06 2kbs s LEU 70 Ca 0.37 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.70 2kbs s LEU 70 Cb 0.38 -3.03 0.16 0.00 0.50 0.00 0.00 46.19 44.20 2kbs s LEU 70 CO -0.09 0.14 1.23 -0.62 -1.32 0.00 0.00 176.35 175.69 2kbs s ASP 71 N -2.12 3.35 -0.01 3.68 2.15 -1.26 -4.57 116.67 117.88 2kbs s ASP 71 Ca 0.35 0.58 -0.23 0.00 0.43 0.00 0.00 52.55 53.68 2kbs s ASP 71 Cb -0.13 -0.87 -0.16 0.00 -0.30 0.00 0.00 42.92 41.46 2kbs s ASP 71 CO 0.21 -2.61 1.10 -0.74 -0.17 0.00 0.00 175.17 172.96 2kbs h HIS 72 N -1.55 -0.33 -0.86 -5.34 2.76 -1.96 -2.53 115.15 105.35 2kbs h HIS 72 Ca -0.46 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 57.74 2kbs h HIS 72 Cb 1.29 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 30.31 2kbs h HIS 72 CO -0.57 0.03 0.57 0.87 -1.30 0.00 0.00 177.93 177.53 2kbs h LYS 73 N -0.80 1.04 -0.53 5.26 1.57 -1.99 -2.15 116.57 118.96 2kbs h LYS 73 Ca -0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kbs h LYS 73 Cb 0.51 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2kbs h LYS 73 CO 0.06 0.69 0.33 0.93 -0.57 0.00 0.00 179.45 180.88 2kbs h GLU 74 N 1.07 0.71 -0.74 3.15 5.08 -1.94 0.19 114.58 122.09 2kbs h GLU 74 Ca 0.34 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2kbs h GLU 74 Cb 0.03 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2kbs h GLU 74 CO -0.10 0.50 0.31 0.00 -1.00 0.00 0.00 179.01 178.72 2kbs h ALA 75 N 1.17 0.96 -0.11 3.43 0.00 -0.96 -1.91 119.26 121.85 2kbs h ALA 75 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2kbs h ALA 75 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2kbs h ALA 75 CO -0.04 0.58 -0.13 0.28 0.00 0.00 0.00 179.25 179.94 2kbs h VAL 76 N 1.06 1.37 -0.05 0.00 2.07 -1.06 -2.23 116.25 117.41 2kbs h VAL 76 Ca 0.25 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2kbs h VAL 76 Cb 0.20 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2kbs h VAL 76 CO -0.02 0.38 -0.18 -1.13 0.02 0.00 0.00 177.57 176.63 2kbs h ASN 77 N -0.14 -0.55 -0.52 0.57 -0.00 -0.54 0.57 115.58 114.98 2kbs h ASN 77 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 2kbs h ASN 77 Cb 0.67 0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 39.20 2kbs h ASN 77 CO 0.03 -0.24 0.34 -0.37 -0.00 0.00 0.00 177.43 177.19 2kbs h VAL 78 N -0.27 1.14 -0.05 2.57 -1.51 -1.41 0.66 116.25 117.37 2kbs h VAL 78 Ca 0.07 -0.27 -0.07 0.00 -1.23 0.00 0.00 66.70 65.20 2kbs h VAL 78 Cb 0.37 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 2kbs h VAL 78 CO -0.21 0.14 -0.32 -0.07 -1.23 0.00 0.00 177.57 175.88 2kbs h LEU 79 N 0.71 0.09 0.02 4.19 -0.00 -0.96 -2.11 115.31 117.24 2kbs h LEU 79 Ca 0.19 -0.03 -0.23 0.00 -0.00 0.00 0.00 57.88 57.81 2kbs h LEU 79 Cb -0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 40.54 2kbs h LEU 79 CO -0.04 0.41 -1.16 0.11 -0.00 0.00 0.00 178.44 177.76 2kbs h LYS 80 N 0.08 0.03 0.12 1.13 6.56 0.86 -3.39 116.57 121.97 2kbs h LYS 80 Ca 0.01 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2kbs h LYS 80 Cb 0.61 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2kbs h LYS 80 CO 0.04 0.94 -0.06 1.03 -2.06 0.00 0.00 179.45 179.35 2kbs h SER 81 N 0.01 -0.14 -3.54 0.86 0.87 0.61 -3.45 113.55 108.77 2kbs h SER 81 Ca -0.08 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.97 2kbs h SER 81 Cb 1.84 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.80 2kbs h SER 81 CO 0.13 -0.04 0.21 -0.44 -0.53 0.00 0.00 176.83 176.16 2kbs s SER 82 N -3.04 7.41 -0.17 6.23 0.01 -0.82 -4.99 113.70 118.32 2kbs s SER 82 Ca -0.02 1.67 -0.15 0.00 1.31 0.00 0.00 55.95 58.75 2kbs s SER 82 Cb 0.00 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.61 2kbs s SER 82 CO 0.07 0.16 0.01 0.03 0.41 0.00 0.00 173.24 173.91 2kbs h ARG 83 N 4.58 0.00 -4.55 12.44 3.08 -1.86 -3.43 114.38 124.65 2kbs h ARG 83 Ca -0.46 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 58.85 2kbs h ARG 83 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.06 2kbs h ARG 83 CO 0.67 0.47 1.08 0.45 -1.07 0.00 0.00 179.97 181.57 2kbs s SER 84 N -6.27 7.04 0.06 7.04 0.15 -1.25 -3.45 113.70 117.03 2kbs s SER 84 Ca -0.21 -2.96 0.09 0.00 0.70 0.00 0.00 55.95 53.57 2kbs s SER 84 Cb 0.04 -2.36 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 2kbs s SER 84 CO 0.39 -0.70 -0.25 -1.48 1.20 0.00 0.00 173.24 172.40 2kbs s LEU 85 N 1.18 2.19 -0.27 3.45 0.05 -0.16 -4.97 118.68 120.14 2kbs s LEU 85 Ca 0.38 -0.60 -0.18 0.00 0.05 0.00 0.00 54.13 53.79 2kbs s LEU 85 Cb -0.05 -1.21 -0.02 0.00 -2.05 0.00 0.00 46.19 42.86 2kbs s LEU 85 CO -0.03 0.23 0.52 -0.89 -0.55 0.00 0.00 176.35 175.62 2kbs s THR 86 N -0.84 5.06 -0.18 5.48 2.01 -1.26 -2.05 115.64 123.86 2kbs s THR 86 Ca 0.11 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 2kbs s THR 86 Cb -0.10 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2kbs s THR 86 CO 0.02 0.05 -0.14 0.27 -0.69 0.00 0.00 174.62 174.13 2kbs s ILE 87 N 2.33 2.62 -0.24 1.82 -4.36 0.20 0.47 121.20 124.04 2kbs s ILE 87 Ca 0.21 -0.76 -0.15 0.00 -0.26 0.00 0.00 60.65 59.69 2kbs s ILE 87 Cb -0.16 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 2kbs s ILE 87 CO 0.10 0.50 0.35 -0.44 0.24 0.00 0.00 174.94 175.69 2kbs s SER 88 N 1.12 6.30 0.03 4.36 0.01 -0.31 -1.45 113.70 123.76 2kbs s SER 88 Ca 0.01 0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.66 2kbs s SER 88 Cb -0.14 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2kbs s SER 88 CO -0.05 -0.11 -0.15 -0.51 0.41 0.00 0.00 173.24 172.84 2kbs s ILE 89 N 1.64 1.17 -0.13 1.44 -1.16 0.57 -0.98 121.20 123.76 2kbs s ILE 89 Ca 0.15 -0.96 -0.01 0.00 -0.51 0.00 0.00 60.65 59.32 2kbs s ILE 89 Cb -0.15 -1.04 -0.02 0.00 0.61 0.00 0.00 42.46 41.85 2kbs s ILE 89 CO 0.08 0.08 -0.09 0.54 -2.81 0.00 0.00 174.94 172.74 2kbs s VAL 90 N -0.76 3.46 0.17 4.00 0.11 -1.15 0.84 120.40 127.06 2kbs s VAL 90 Ca 0.03 -0.52 -0.31 0.00 -2.93 0.00 0.00 61.98 58.25 2kbs s VAL 90 Cb -0.08 -2.47 -0.09 0.00 -1.53 0.00 0.00 36.38 32.22 2kbs s VAL 90 CO 0.01 0.52 1.37 0.00 -3.33 0.00 0.00 175.10 173.68 2kbs s ALA 91 N 0.16 3.58 0.00 1.54 0.00 -1.25 -2.63 121.76 123.16 2kbs s ALA 91 Ca -0.04 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2kbs s ALA 91 Cb -0.14 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2kbs s ALA 91 CO 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.19 2kbs n ALA 92 N 3.18 0.00 0.31 0.00 0.00 -1.26 -4.86 120.51 117.88 2kbs n ALA 92 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 92 Cb 0.42 0.00 0.91 0.00 0.00 0.00 0.00 19.45 20.78 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 1.35 0.00 0.00 0.00 -1.73 -2.61 119.26 116.27 2kbs h ALA 93 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 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 -0.28 -1.25 0.41 0.00 0.00 0.00 179.25 178.13 2kbs n GLY 94 N -1.22 -0.18 0.36 0.00 0.00 -0.86 -4.67 105.19 98.62 2kbs n GLY 94 Ca -0.01 -0.06 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 -1.01 1.61 3.08 0.12 -0.86 114.38 117.78 2kbs h ARG 95 Ca -0.10 -0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.15 2kbs h ARG 95 Cb 1.23 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.06 2kbs h ARG 95 CO 0.01 0.31 0.60 1.49 -1.07 0.00 0.00 179.97 181.30 2kbs h GLU 96 N 0.48 0.61 0.41 0.04 4.81 -1.79 0.79 114.58 119.92 2kbs h GLU 96 Ca 0.33 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2kbs h GLU 96 Cb 0.64 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2kbs h GLU 96 CO -0.11 0.40 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.31 2kbs h LEU 97 N 0.62 -0.47 -1.90 1.64 -0.00 -1.46 -3.21 115.31 110.54 2kbs h LEU 97 Ca 0.62 -0.03 0.28 0.00 -0.00 0.00 0.00 57.88 58.76 2kbs h LEU 97 Cb 1.15 0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.89 2kbs h LEU 97 CO -0.44 -0.03 0.78 -0.26 -0.00 0.00 0.00 178.44 178.49 2kbs h PHE 98 N -1.11 0.00 0.00 1.13 0.04 -1.27 -3.02 116.94 112.71 2kbs h PHE 98 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2kbs h PHE 98 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2kbs h PHE 98 CO 0.01 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.39 2kbs n MET 99 N -3.99 0.00 0.00 1.51 2.81 0.21 -5.11 117.12 112.56 2kbs n MET 99 Ca 0.20 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2kbs n MET 99 Cb 1.10 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.70 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89