#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbs n GLU 10 N 0.00 2.77 -4.70 1.64 1.02 -1.26 -4.09 120.64 116.01 2kbs n GLU 10 Ca 0.00 0.99 -0.33 0.00 -0.02 0.00 0.00 57.16 57.80 2kbs n GLU 10 Cb 0.00 -2.82 -0.12 0.00 -0.02 0.00 0.00 31.44 28.48 2kbs n GLU 10 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2kbs s LYS 11 N 0.54 2.56 -0.01 3.49 2.20 0.21 -4.98 119.74 123.74 2kbs s LYS 11 Ca 0.71 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 2kbs s LYS 11 Cb -0.50 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 2kbs s LYS 11 CO 0.38 0.63 -0.03 0.21 -0.36 0.00 0.00 175.35 176.18 2kbs s LYS 12 N -0.94 2.70 0.02 4.03 2.47 -1.26 -0.79 119.74 125.97 2kbs s LYS 12 Ca 0.13 -0.63 -0.14 0.00 -1.56 0.00 0.00 55.97 53.77 2kbs s LYS 12 Cb -0.11 -2.60 0.02 0.00 -1.46 0.00 0.00 37.83 33.68 2kbs s LYS 12 CO 0.03 0.63 0.31 0.08 0.16 0.00 0.00 175.35 176.55 2kbs s VAL 13 N -1.00 0.07 -0.11 4.02 1.01 -0.25 -4.91 120.40 119.23 2kbs s VAL 13 Ca 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 2kbs s VAL 13 Cb -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 36.38 35.49 2kbs s VAL 13 CO 0.07 -0.33 0.07 0.72 0.00 0.00 0.00 175.10 175.63 2kbs s PHE 14 N -2.12 0.22 -0.29 5.22 -0.71 -1.26 0.07 117.98 119.12 2kbs s PHE 14 Ca -0.08 -0.11 -0.13 0.00 -1.04 0.00 0.00 56.93 55.56 2kbs s PHE 14 Cb -0.02 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 2kbs s PHE 14 CO -0.01 -0.38 0.29 0.42 -1.34 0.00 0.00 175.22 174.20 2kbs s ILE 15 N 2.12 5.23 -0.22 -4.49 -1.09 -0.77 -4.97 121.20 117.03 2kbs s ILE 15 Ca 0.03 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 2kbs s ILE 15 Cb -0.14 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.14 2kbs s ILE 15 CO -0.06 0.14 -0.02 -0.94 -1.23 0.00 0.00 174.94 172.83 2kbs s SER 16 N 1.71 3.48 0.05 3.58 1.04 -1.25 -1.43 113.70 120.87 2kbs s SER 16 Ca 0.11 -1.04 -0.31 0.00 0.48 0.00 0.00 55.95 55.19 2kbs s SER 16 Cb -0.16 -0.94 -0.10 0.00 0.10 0.00 0.00 66.02 64.91 2kbs s SER 16 CO 0.11 -0.26 1.92 -0.11 0.98 0.00 0.00 173.24 175.87 2kbs n LEU 17 N 4.82 4.03 -0.04 2.42 0.00 -1.22 -4.89 117.00 122.12 2kbs n LEU 17 Ca -0.11 0.94 -0.14 0.00 0.00 0.00 0.00 56.01 56.71 2kbs n LEU 17 Cb 0.45 -1.51 -0.09 0.00 0.00 0.00 0.00 43.42 42.27 2kbs n LEU 17 CO 0.16 0.16 0.56 0.58 0.00 0.00 0.00 177.39 178.85 2kbs h VAL 18 N 5.27 1.39 0.00 1.96 2.07 -1.97 -3.47 116.25 121.51 2kbs h VAL 18 Ca -0.49 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2kbs h VAL 18 Cb 1.24 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 2kbs h VAL 18 CO 0.94 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.54 2kbs n GLY 19 N 0.38 -1.17 2.66 2.17 0.00 -1.26 -5.04 105.19 102.94 2kbs n GLY 19 Ca -0.07 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2kbs n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kbs n SER 20 N -3.36 -1.66 -0.05 1.61 2.88 -1.26 -4.97 113.62 106.81 2kbs n SER 20 Ca 0.00 -2.23 -0.05 0.00 -1.33 0.00 0.00 58.87 55.27 2kbs n SER 20 Cb 0.00 0.97 -0.07 0.00 -0.75 0.00 0.00 64.21 64.36 2kbs n SER 20 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kbs n ARG 21 N -0.64 2.30 0.00 -1.46 0.63 -1.26 -5.10 116.66 111.13 2kbs n ARG 21 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2kbs n ARG 21 Cb 0.80 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.47 2kbs n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kbs n GLY 22 N 2.46 1.23 1.22 5.14 0.00 -1.26 -4.53 105.19 109.45 2kbs n GLY 22 Ca -0.16 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.02 0.00 0.99 7.94 -1.26 -4.53 117.00 120.16 2kbs n LEU 23 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2kbs n LEU 23 Cb 0.00 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kbs n LEU 23 CO 0.00 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 176.76 2kbs n GLY 24 N 2.68 1.53 3.23 -3.96 0.00 -1.26 -0.19 105.19 107.22 2kbs n GLY 24 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.88 4.35 -0.05 0.00 0.01 -1.04 -4.98 113.70 109.11 2kbs s SER 26 Ca 0.07 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 56.03 2kbs s SER 26 Cb 0.04 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2kbs s SER 26 CO -0.09 -0.72 0.13 0.27 0.41 0.00 0.00 173.24 173.24 2kbs s ILE 27 N -2.71 -0.02 0.30 1.44 -4.36 -1.26 -0.14 121.20 114.46 2kbs s ILE 27 Ca 0.31 0.08 0.11 0.00 -0.26 0.00 0.00 60.65 60.89 2kbs s ILE 27 Cb 0.03 -0.21 -0.05 0.00 1.25 0.00 0.00 42.46 43.48 2kbs s ILE 27 CO 0.18 0.03 -0.16 -0.55 0.24 0.00 0.00 174.94 174.68 2kbs s SER 28 N 0.56 3.67 0.04 4.36 0.15 -0.57 -4.79 113.70 117.11 2kbs s SER 28 Ca -0.04 -1.08 0.01 0.00 0.70 0.00 0.00 55.95 55.54 2kbs s SER 28 Cb -0.06 -0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 2kbs s SER 28 CO -0.03 -0.05 0.08 -0.44 1.20 0.00 0.00 173.24 174.00 2kbs s SER 29 N -3.55 5.57 0.78 5.45 0.01 -1.26 0.23 113.70 120.93 2kbs s SER 29 Ca 0.31 0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.59 2kbs s SER 29 Cb -0.02 -1.54 0.14 0.00 0.21 0.00 0.00 66.02 64.81 2kbs s SER 29 CO 0.16 0.22 0.94 0.61 0.41 0.00 0.00 173.24 175.58 2kbs n GLY 30 N 0.83 0.05 0.00 3.44 0.00 -1.19 -4.96 105.19 103.36 2kbs n GLY 30 Ca -0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2kbs n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kbs n PRO 31 N -2.82 -0.44 0.01 1.61 -0.04 -1.26 -4.70 135.00 127.37 2kbs n PRO 31 Ca 0.14 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 2kbs n PRO 31 Cb 0.50 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.31 1.21 -0.01 0.52 2.04 -1.99 -3.02 117.51 114.96 2kbs h ILE 32 Ca 0.00 -3.01 -0.09 0.00 1.00 0.00 0.00 64.86 62.77 2kbs h ILE 32 Cb 0.00 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2kbs h ILE 32 CO 0.00 0.69 -0.40 1.56 0.00 0.00 0.00 178.15 180.01 2kbs h GLN 33 N 0.00 0.02 -1.84 2.37 7.50 -2.06 -3.36 115.11 117.74 2kbs h GLN 33 Ca -0.17 -0.01 -0.51 0.00 0.50 0.00 0.00 58.65 58.47 2kbs h GLN 33 Cb 1.91 -0.00 -0.34 0.00 0.05 0.00 0.00 27.48 29.10 2kbs h GLN 33 CO 0.10 0.42 -0.96 1.17 -1.50 0.00 0.00 178.83 178.06 2kbs n LYS 34 N -4.06 0.52 -2.50 1.46 4.81 -1.25 -5.13 118.16 112.01 2kbs n LYS 34 Ca -0.02 -2.96 -0.39 0.00 -0.87 0.00 0.00 58.31 54.07 2kbs n LYS 34 Cb 0.43 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 34.03 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 -0.41 4.53 0.00 1.64 0.04 -1.14 -4.02 135.00 135.64 2kbs s PRO 35 Ca 0.34 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2kbs s PRO 35 Cb 0.12 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.63 2kbs s PRO 35 CO -0.15 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.44 2kbs n GLY 36 N 1.00 0.16 3.58 0.56 0.00 -1.26 -4.89 105.19 104.34 2kbs n GLY 36 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 4.88 0.44 -0.61 -1.09 -1.26 -3.20 121.20 118.36 2kbs s ILE 37 Ca 0.00 0.67 0.08 0.00 -2.23 0.00 0.00 60.65 59.16 2kbs s ILE 37 Cb 0.00 -4.08 -0.00 0.00 -1.58 0.00 0.00 42.46 36.80 2kbs s ILE 37 CO 0.00 -0.30 0.44 -0.36 -1.23 0.00 0.00 174.94 173.49 2kbs s PHE 38 N 2.74 2.54 -0.10 3.97 0.40 0.14 -1.83 117.98 125.83 2kbs s PHE 38 Ca 0.25 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2kbs s PHE 38 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 2kbs s PHE 38 CO 0.15 -0.27 -0.01 0.42 0.70 0.00 0.00 175.22 176.20 2kbs s ILE 39 N -2.49 4.16 0.00 0.64 -1.09 -0.76 -1.51 121.20 120.15 2kbs s ILE 39 Ca 0.49 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.61 2kbs s ILE 39 Cb -0.04 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 38.08 2kbs s ILE 39 CO 0.29 0.57 0.00 -1.20 -1.23 0.00 0.00 174.94 173.37 2kbs n SER 40 N 2.50 0.61 -4.46 3.58 7.64 0.81 -2.54 113.62 121.76 2kbs n SER 40 Ca -0.18 -0.93 -0.44 0.00 1.01 0.00 0.00 58.87 58.32 2kbs n SER 40 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 2kbs n SER 40 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kbs n HIS 41 N -0.65 -0.14 -4.21 1.43 -0.00 -1.26 -4.03 115.22 106.36 2kbs n HIS 41 Ca 0.00 0.74 -0.24 0.00 0.46 0.00 0.00 57.72 58.68 2kbs n HIS 41 Cb 0.00 -2.03 -0.07 0.00 -0.12 0.00 0.00 29.99 27.77 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kbs s VAL 42 N -1.23 3.85 0.04 3.57 1.01 -1.26 -2.49 120.40 123.89 2kbs s VAL 42 Ca 0.62 -1.56 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2kbs s VAL 42 Cb -0.73 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kbs s VAL 42 CO 0.58 -0.25 -0.14 -0.54 0.00 0.00 0.00 175.10 174.75 2kbs s LYS 43 N -3.39 2.20 0.76 2.72 1.02 0.21 -4.98 119.74 118.28 2kbs s LYS 43 Ca 0.30 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 55.26 2kbs s LYS 43 Cb -0.08 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 35.00 2kbs s LYS 43 CO 0.21 0.55 1.08 -1.25 -0.92 0.00 0.00 175.35 175.02 2kbs s PRO 44 N -1.52 2.36 -1.43 -1.68 0.04 -1.26 -3.99 135.00 127.53 2kbs s PRO 44 Ca 0.16 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 61.93 2kbs s PRO 44 Cb -0.11 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.54 2kbs s PRO 44 CO 0.07 -1.48 1.02 0.41 0.04 0.00 0.00 177.00 177.06 2kbs n GLY 45 N -1.89 -0.48 2.50 0.56 0.00 -1.26 -4.98 105.19 99.64 2kbs n GLY 45 Ca 0.07 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.94 0.27 -0.02 1.61 7.64 -1.26 -5.06 113.62 113.86 2kbs n SER 46 Ca -0.03 -2.67 -0.13 0.00 1.01 0.00 0.00 58.87 57.05 2kbs n SER 46 Cb 0.56 1.04 -0.10 0.00 -1.01 0.00 0.00 64.21 64.71 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 0.05 -0.88 -3.43 -0.00 -0.85 -2.30 115.31 107.90 2kbs h LEU 47 Ca -0.21 -0.55 0.13 0.00 -0.00 0.00 0.00 57.88 57.25 2kbs h LEU 47 Cb 0.92 -0.01 -0.09 0.00 -0.00 0.00 0.00 40.66 41.48 2kbs h LEU 47 CO 0.32 0.59 0.50 0.77 -0.00 0.00 0.00 178.44 180.62 2kbs h SER 48 N -0.49 0.67 -0.50 -0.43 4.64 -1.24 0.34 113.55 116.54 2kbs h SER 48 Ca 0.00 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 2kbs h SER 48 Cb 0.58 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2kbs h SER 48 CO 0.01 0.32 -0.16 0.00 -0.87 0.00 0.00 176.83 176.13 2kbs h ALA 49 N 1.53 0.69 -0.56 5.18 0.00 -1.74 0.22 119.26 124.57 2kbs h ALA 49 Ca 0.46 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kbs h ALA 49 Cb 0.56 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2kbs h ALA 49 CO -0.31 0.64 0.12 0.93 0.00 0.00 0.00 179.25 180.62 2kbs h GLU 50 N 0.84 0.88 0.12 0.00 4.39 -0.61 -2.92 114.58 117.29 2kbs h GLU 50 Ca 0.12 -0.20 -0.28 0.00 0.34 0.00 0.00 59.36 59.35 2kbs h GLU 50 Cb 0.73 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2kbs h GLU 50 CO 0.06 0.81 -1.22 -0.39 -1.16 0.00 0.00 179.01 177.11 2kbs h VAL 51 N 0.85 1.42 0.00 3.13 -1.51 -0.83 -3.49 116.25 115.81 2kbs h VAL 51 Ca 0.18 -2.82 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 2kbs h VAL 51 Cb 0.34 2.82 0.00 0.00 -2.13 0.00 0.00 31.29 32.32 2kbs h VAL 51 CO 0.00 0.83 0.00 0.61 -1.23 0.00 0.00 177.57 177.78 2kbs n GLY 52 N 1.42 0.77 3.49 5.19 0.00 0.67 -5.06 105.19 111.66 2kbs n GLY 52 Ca -0.10 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 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 2.71 0.16 0.99 1.43 -0.56 -5.02 118.68 118.40 2kbs s LEU 53 Ca 0.00 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.34 2kbs s LEU 53 Cb 0.00 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.73 2kbs s LEU 53 CO 0.00 0.16 0.46 -1.61 0.23 0.00 0.00 176.35 175.59 2kbs s GLU 54 N -2.27 1.23 0.32 1.70 2.02 -1.26 -4.81 118.70 115.62 2kbs s GLU 54 Ca 0.19 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 2kbs s GLU 54 Cb -0.10 0.49 -0.12 0.00 0.10 0.00 0.00 34.13 34.50 2kbs s GLU 54 CO 0.11 -0.50 1.46 -0.89 0.02 0.00 0.00 175.26 175.45 2kbs n ILE 55 N -0.29 1.55 0.00 -1.63 5.41 -1.26 -2.70 119.36 120.45 2kbs n ILE 55 Ca -0.13 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2kbs n ILE 55 Cb 0.63 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 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 1.29 1.84 3.50 7.39 0.00 -1.05 -4.88 105.19 113.28 2kbs n GLY 56 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -1.17 -3.55 1.61 9.92 -1.10 0.12 116.55 122.38 2kbs n ASP 57 Ca 0.00 0.12 -0.15 0.00 -0.53 0.00 0.00 54.79 54.23 2kbs n ASP 57 Cb 0.00 -1.28 -0.13 0.00 -0.64 0.00 0.00 41.12 39.07 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 -4.22 0.18 -0.16 -1.24 -0.44 -1.24 -1.82 119.66 110.71 2kbs s GLN 58 Ca 0.64 0.47 -0.29 0.00 -2.50 0.00 0.00 55.36 53.68 2kbs s GLN 58 Cb -0.22 -0.63 -0.03 0.00 -1.64 0.00 0.00 33.01 30.49 2kbs s GLN 58 CO 0.63 -0.49 1.60 0.42 0.50 0.00 0.00 175.29 177.94 2kbs s ILE 59 N 2.38 3.72 -2.85 -2.34 1.09 -0.76 -1.99 121.20 120.45 2kbs s ILE 59 Ca 0.05 0.83 0.25 0.00 -1.10 0.00 0.00 60.65 60.68 2kbs s ILE 59 Cb -0.14 -3.65 0.28 0.00 -1.06 0.00 0.00 42.46 37.89 2kbs s ILE 59 CO -0.11 -0.19 1.36 1.33 -0.10 0.00 0.00 174.94 177.23 2kbs n VAL 60 N 5.99 0.05 -3.60 2.92 0.24 0.18 -4.56 118.33 119.55 2kbs n VAL 60 Ca 0.18 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.96 2kbs n VAL 60 Cb 0.44 1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.95 0.28 -0.28 7.34 2.12 -0.80 -3.15 118.70 122.26 2kbs s GLU 61 Ca 0.31 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.56 2kbs s GLU 61 Cb 0.20 0.13 0.17 0.00 0.26 0.00 0.00 34.13 34.89 2kbs s GLU 61 CO 0.31 -0.12 0.48 0.08 -0.54 0.00 0.00 175.26 175.47 2kbs s VAL 62 N -2.32 -0.78 -1.31 3.70 1.01 -0.80 -0.67 120.40 119.24 2kbs s VAL 62 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2kbs s VAL 62 Cb -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2kbs s VAL 62 CO -0.04 -0.14 0.00 -3.20 0.00 0.00 0.00 175.10 171.71 2kbs n ASN 63 N 5.38 -5.16 0.00 3.32 2.85 0.29 -1.89 115.26 120.06 2kbs n ASN 63 Ca 0.01 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2kbs n ASN 63 Cb 0.51 -3.74 0.00 0.00 1.24 0.00 0.00 39.78 37.79 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 -0.57 1.57 3.74 8.20 0.00 -1.26 -5.01 105.19 111.86 2kbs n GLY 64 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 2kbs n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbs s VAL 65 N -1.79 2.64 -0.16 1.61 0.11 -0.79 -4.95 120.40 117.07 2kbs s VAL 65 Ca 0.00 0.52 -0.29 0.00 -2.93 0.00 0.00 61.98 59.28 2kbs s VAL 65 Cb 0.00 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 2kbs s VAL 65 CO 0.00 0.08 1.14 -1.81 -3.33 0.00 0.00 175.10 171.18 2kbs s ASP 66 N 0.49 7.06 -0.16 3.54 1.11 -1.26 -1.90 116.67 125.55 2kbs s ASP 66 Ca 0.61 1.59 0.11 0.00 0.18 0.00 0.00 52.55 55.04 2kbs s ASP 66 Cb -0.42 -2.55 0.60 0.00 1.07 0.00 0.00 42.92 41.63 2kbs s ASP 66 CO 0.42 -0.65 1.43 0.49 1.18 0.00 0.00 175.17 178.04 2kbs n PHE 67 N 6.01 1.49 0.04 4.23 3.01 -1.19 -4.19 117.46 126.86 2kbs n PHE 67 Ca 0.12 -0.53 -0.08 0.00 1.01 0.00 0.00 57.45 57.98 2kbs n PHE 67 Cb 0.46 -0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 39.51 2kbs n PHE 67 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2kbs h SER 68 N 3.02 -0.18 -0.56 4.37 4.64 -1.87 -3.35 113.55 119.61 2kbs h SER 68 Ca 0.00 -0.24 -0.23 0.00 -0.47 0.00 0.00 61.79 60.85 2kbs h SER 68 Cb 1.53 0.05 -0.13 0.00 -0.31 0.00 0.00 62.40 63.53 2kbs h SER 68 CO 0.33 0.38 0.17 -0.46 -0.87 0.00 0.00 176.83 176.38 2kbs n ASN 69 N -4.90 3.56 -4.86 4.97 6.94 -1.26 -4.74 115.26 114.96 2kbs n ASN 69 Ca -0.06 -3.47 -0.32 0.00 -0.02 0.00 0.00 54.58 50.71 2kbs n ASN 69 Cb 0.21 -0.69 -0.06 0.00 -2.36 0.00 0.00 39.78 36.88 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2kbs s LEU 70 N -3.12 4.08 0.47 -4.53 2.96 -1.26 -5.09 118.68 112.19 2kbs s LEU 70 Ca 0.49 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 55.60 2kbs s LEU 70 Cb 0.42 -3.97 0.01 0.00 0.50 0.00 0.00 46.19 43.15 2kbs s LEU 70 CO 0.07 -0.18 0.67 -0.62 -1.32 0.00 0.00 176.35 174.97 2kbs s ASP 71 N -2.36 5.58 0.09 3.68 -1.08 -1.26 -4.66 116.67 116.66 2kbs s ASP 71 Ca 0.52 -0.03 -0.27 0.00 -0.52 0.00 0.00 52.55 52.25 2kbs s ASP 71 Cb -0.10 -1.06 -0.14 0.00 -1.46 0.00 0.00 42.92 40.16 2kbs s ASP 71 CO 0.19 -0.87 1.67 -0.74 0.52 0.00 0.00 175.17 175.94 2kbs h HIS 72 N 0.36 -0.49 -0.86 -5.34 6.17 -1.98 -1.75 115.15 111.26 2kbs h HIS 72 Ca -0.43 -0.00 0.11 0.00 0.71 0.00 0.00 60.37 60.75 2kbs h HIS 72 Cb 1.28 0.18 -0.08 0.00 2.52 0.00 0.00 27.41 31.31 2kbs h HIS 72 CO 0.40 -0.29 0.50 0.87 0.71 0.00 0.00 177.93 180.12 2kbs h LYS 73 N -0.45 0.78 -0.75 5.26 1.57 -1.99 -1.06 116.57 119.93 2kbs h LYS 73 Ca -0.02 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2kbs h LYS 73 Cb 0.39 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2kbs h LYS 73 CO 0.00 0.52 0.49 0.93 -0.57 0.00 0.00 179.45 180.82 2kbs h GLU 74 N 0.81 0.97 -0.31 3.15 5.08 -1.87 0.31 114.58 122.71 2kbs h GLU 74 Ca 0.42 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 2kbs h GLU 74 Cb 0.43 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2kbs h GLU 74 CO -0.27 0.64 0.12 0.00 -1.00 0.00 0.00 179.01 178.50 2kbs h ALA 75 N 1.28 0.40 -0.32 3.43 0.00 -0.34 -1.65 119.26 122.06 2kbs h ALA 75 Ca 0.28 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2kbs h ALA 75 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2kbs h ALA 75 CO -0.07 0.01 -0.32 0.28 0.00 0.00 0.00 179.25 179.15 2kbs h VAL 76 N 0.35 1.28 0.85 0.00 2.07 -0.99 -2.22 116.25 117.59 2kbs h VAL 76 Ca 0.10 -1.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 2kbs h VAL 76 Cb 0.20 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2kbs h VAL 76 CO -0.01 0.47 -0.41 -1.13 0.02 0.00 0.00 177.57 176.51 2kbs h ASN 77 N 0.59 -0.97 -0.97 0.57 -1.24 -0.21 0.14 115.58 113.49 2kbs h ASN 77 Ca 0.07 0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.16 2kbs h ASN 77 Cb 0.83 0.25 -0.06 0.00 0.73 0.00 0.00 38.32 40.07 2kbs h ASN 77 CO 0.07 -0.66 0.62 -0.37 -1.29 0.00 0.00 177.43 175.80 2kbs h VAL 78 N -1.21 1.11 -0.13 2.57 -1.51 -1.36 0.43 116.25 116.16 2kbs h VAL 78 Ca -0.12 -0.40 -0.08 0.00 -1.23 0.00 0.00 66.70 64.88 2kbs h VAL 78 Cb 0.89 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 2kbs h VAL 78 CO 0.19 0.21 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.41 2kbs h LEU 79 N 1.17 0.23 0.14 4.19 -0.00 -1.31 -2.45 115.31 117.27 2kbs h LEU 79 Ca 0.40 -0.07 -0.28 0.00 -0.00 0.00 0.00 57.88 57.93 2kbs h LEU 79 Cb 0.10 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2kbs h LEU 79 CO -0.15 0.50 -1.27 0.11 -0.00 0.00 0.00 178.44 177.63 2kbs h LYS 80 N 0.21 0.33 0.69 1.13 6.56 0.61 -3.36 116.57 122.74 2kbs h LYS 80 Ca 0.03 -0.56 -0.03 0.00 -1.06 0.00 0.00 60.65 59.03 2kbs h LYS 80 Cb 0.59 0.20 0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2kbs h LYS 80 CO 0.04 1.26 -0.33 1.03 -2.06 0.00 0.00 179.45 179.39 2kbs h SER 81 N 0.10 -0.78 -2.78 0.86 0.87 0.02 -3.43 113.55 108.42 2kbs h SER 81 Ca -0.15 0.01 -0.65 0.00 -1.23 0.00 0.00 61.79 59.77 2kbs h SER 81 Cb 1.99 0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 64.09 2kbs h SER 81 CO 0.22 -0.53 -0.44 -0.55 -0.53 0.00 0.00 176.83 175.00 2kbs s SER 82 N -4.41 6.44 -0.21 6.23 0.15 -0.94 -5.02 113.70 115.94 2kbs s SER 82 Ca -0.17 0.49 -0.19 0.00 0.70 0.00 0.00 55.95 56.78 2kbs s SER 82 Cb 0.03 -2.07 -0.19 0.00 -1.71 0.00 0.00 66.02 62.08 2kbs s SER 82 CO 0.60 0.32 0.16 0.54 1.20 0.00 0.00 173.24 176.06 2kbs n ARG 83 N 1.47 0.59 -3.27 5.44 1.74 -1.26 -4.63 116.66 116.73 2kbs n ARG 83 Ca -0.15 0.51 -0.45 0.00 -0.77 0.00 0.00 57.85 56.99 2kbs n ARG 83 Cb 0.54 -1.71 -0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2kbs n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbs s SER 84 N -6.94 7.19 -0.04 0.55 0.15 -1.24 -3.44 113.70 109.92 2kbs s SER 84 Ca -0.29 -3.33 0.07 0.00 0.70 0.00 0.00 55.95 53.09 2kbs s SER 84 Cb 0.07 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.12 2kbs s SER 84 CO 0.60 -0.42 -0.25 -1.48 1.20 0.00 0.00 173.24 172.89 2kbs s LEU 85 N -0.53 2.05 -0.31 3.45 0.05 -0.52 -4.96 118.68 117.92 2kbs s LEU 85 Ca 0.31 -0.48 -0.24 0.00 0.05 0.00 0.00 54.13 53.77 2kbs s LEU 85 Cb -0.09 -1.32 0.00 0.00 -2.05 0.00 0.00 46.19 42.73 2kbs s LEU 85 CO -0.07 0.28 0.82 -0.89 -0.55 0.00 0.00 176.35 175.93 2kbs s THR 86 N -0.39 4.76 -0.13 5.48 2.01 -1.26 -1.84 115.64 124.27 2kbs s THR 86 Ca 0.04 1.22 -0.02 0.00 0.31 0.00 0.00 61.69 63.24 2kbs s THR 86 Cb -0.12 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2kbs s THR 86 CO 0.01 -0.28 -0.06 0.27 -0.69 0.00 0.00 174.62 173.86 2kbs s ILE 87 N 3.04 3.70 -0.28 1.82 -4.36 0.11 0.11 121.20 125.33 2kbs s ILE 87 Ca 0.34 -0.44 -0.10 0.00 -0.26 0.00 0.00 60.65 60.18 2kbs s ILE 87 Cb -0.14 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 2kbs s ILE 87 CO 0.13 0.53 0.16 -0.55 0.24 0.00 0.00 174.94 175.45 2kbs s SER 88 N 0.04 5.77 0.14 4.36 0.15 0.15 -1.09 113.70 123.22 2kbs s SER 88 Ca -0.01 -0.16 0.09 0.00 0.70 0.00 0.00 55.95 56.57 2kbs s SER 88 Cb -0.14 -2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 2kbs s SER 88 CO 0.03 -0.09 -0.22 -0.51 1.20 0.00 0.00 173.24 173.66 2kbs s ILE 89 N 1.71 1.93 -0.23 6.45 -1.16 0.03 0.50 121.20 130.42 2kbs s ILE 89 Ca 0.06 -1.74 0.01 0.00 -0.51 0.00 0.00 60.65 58.47 2kbs s ILE 89 Cb -0.16 -1.79 0.06 0.00 0.61 0.00 0.00 42.46 41.18 2kbs s ILE 89 CO 0.09 -0.10 -0.06 -0.69 -2.81 0.00 0.00 174.94 171.37 2kbs s VAL 90 N -1.43 1.52 0.31 4.00 1.01 -0.84 0.64 120.40 125.61 2kbs s VAL 90 Ca 0.12 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2kbs s VAL 90 Cb -0.09 -1.77 -0.13 0.00 0.00 0.00 0.00 36.38 34.39 2kbs s VAL 90 CO 0.06 -0.08 1.33 0.00 0.00 0.00 0.00 175.10 176.41 2kbs n ALA 91 N 4.68 1.25 0.00 5.51 0.00 -1.26 -1.53 120.51 129.16 2kbs n ALA 91 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 91 Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.89 0.00 0.30 0.00 0.00 -1.26 -4.57 120.51 115.87 2kbs n ALA 92 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 92 Cb 0.35 0.00 1.00 0.00 0.00 0.00 0.00 19.45 20.79 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 1.33 0.00 0.00 0.00 -1.50 -2.84 119.26 116.25 2kbs h ALA 93 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 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 -0.16 -1.19 0.41 0.00 0.00 0.00 179.25 178.31 2kbs n GLY 94 N -1.22 -0.13 0.36 0.00 0.00 -0.63 -4.68 105.19 98.88 2kbs n GLY 94 Ca -0.02 -0.05 0.11 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 0.51 -0.53 1.61 3.08 0.12 -2.08 114.38 117.08 2kbs h ARG 95 Ca -0.08 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.05 2kbs h ARG 95 Cb 1.17 -0.11 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 2kbs h ARG 95 CO 0.00 0.34 -0.13 1.49 -1.07 0.00 0.00 179.97 180.60 2kbs h GLU 96 N 0.52 -0.00 -0.17 0.04 4.57 -1.79 -0.41 114.58 117.34 2kbs h GLU 96 Ca 0.31 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.37 2kbs h GLU 96 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2kbs h GLU 96 CO -0.10 -0.00 -0.39 -0.07 -1.18 0.00 0.00 179.01 177.27 2kbs h LEU 97 N -0.00 0.64 -1.97 1.64 3.38 -1.71 -3.06 115.31 114.22 2kbs h LEU 97 Ca 0.26 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.76 2kbs h LEU 97 Cb 0.39 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2kbs h LEU 97 CO -0.55 1.09 0.42 0.15 0.09 0.00 0.00 178.44 179.64 2kbs h PHE 98 N 0.22 0.00 -1.94 1.13 3.04 -0.72 -3.42 116.94 115.25 2kbs h PHE 98 Ca 0.00 0.00 -0.64 0.00 3.98 0.00 0.00 57.97 61.31 2kbs h PHE 98 Cb 0.99 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.53 2kbs h PHE 98 CO 0.10 0.00 0.96 -1.33 -2.02 0.00 0.00 178.31 176.02 2kbs n MET 99 N -3.57 1.88 0.00 1.11 2.81 -0.26 -5.08 117.12 114.02 2kbs n MET 99 Ca 0.06 0.69 0.06 0.00 -1.81 0.00 0.00 57.70 56.69 2kbs n MET 99 Cb 0.57 -2.47 0.35 0.00 -0.71 0.00 0.00 33.22 30.96 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89