#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 2.40 -3.97 1.64 1.02 -1.26 -4.58 120.64 115.89 2kbs n GLU 10 Ca 0.00 0.84 -0.36 0.00 -0.02 0.00 0.00 57.16 57.62 2kbs n GLU 10 Cb 0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 31.44 28.81 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 -2.10 3.35 -0.15 3.49 2.20 0.33 -4.96 119.74 121.91 2kbs s LYS 11 Ca 0.56 -0.20 -0.09 0.00 -0.36 0.00 0.00 55.97 55.87 2kbs s LYS 11 Cb -0.50 -3.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 2kbs s LYS 11 CO 0.62 0.76 0.16 0.15 -0.36 0.00 0.00 175.35 176.68 2kbs s LYS 12 N -1.08 3.88 0.02 4.03 1.02 -1.26 -0.56 119.74 125.79 2kbs s LYS 12 Ca 0.16 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.03 2kbs s LYS 12 Cb -0.12 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2kbs s LYS 12 CO 0.05 0.51 -0.03 0.08 -0.92 0.00 0.00 175.35 175.04 2kbs s VAL 13 N -0.27 0.13 -0.05 3.17 1.01 -0.34 -4.91 120.40 119.14 2kbs s VAL 13 Ca 0.12 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 2kbs s VAL 13 Cb -0.12 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.06 2kbs s VAL 13 CO 0.02 -0.35 -0.01 0.12 0.00 0.00 0.00 175.10 174.88 2kbs s PHE 14 N -1.05 0.57 -0.25 5.22 5.36 -1.26 -0.91 117.98 125.64 2kbs s PHE 14 Ca -0.11 -0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 55.72 2kbs s PHE 14 Cb -0.07 -0.63 0.02 0.00 -0.34 0.00 0.00 43.02 42.00 2kbs s PHE 14 CO -0.01 -0.22 -0.05 0.42 -1.46 0.00 0.00 175.22 173.91 2kbs s ILE 15 N 1.34 2.99 -0.05 3.12 -1.09 -0.90 -4.89 121.20 121.72 2kbs s ILE 15 Ca -0.05 -1.00 0.14 0.00 -2.23 0.00 0.00 60.65 57.51 2kbs s ILE 15 Cb -0.13 -2.52 -0.21 0.00 -1.58 0.00 0.00 42.46 38.01 2kbs s ILE 15 CO -0.02 0.18 0.24 -1.54 -1.23 0.00 0.00 174.94 172.57 2kbs n SER 16 N 4.69 1.63 0.00 3.58 3.41 -1.26 -1.34 113.62 124.32 2kbs n SER 16 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2kbs n SER 16 Cb 0.47 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.86 2kbs n SER 16 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2kbs n LEU 17 N -2.15 0.00 0.00 1.04 0.00 -1.26 -4.24 117.00 110.39 2kbs n LEU 17 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.93 2kbs n LEU 17 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2kbs n LEU 17 CO 0.30 0.00 0.00 0.52 0.00 0.00 0.00 177.39 178.21 2kbs n VAL 18 N 0.00 0.00 0.04 1.96 0.31 -1.26 -3.80 118.33 115.58 2kbs n VAL 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2kbs n VAL 18 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kbs n GLY 19 N 0.00 -0.93 3.88 2.92 0.00 -1.26 -5.15 105.19 104.65 2kbs n GLY 19 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 2kbs n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kbs s SER 20 N -2.00 6.40 0.18 1.61 0.01 -1.25 -4.94 113.70 113.71 2kbs s SER 20 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 2kbs s SER 20 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2kbs s SER 20 CO 0.00 -0.59 0.00 -2.11 0.41 0.00 0.00 173.24 170.95 2kbs n ARG 21 N -1.96 0.00 0.00 12.44 0.00 -1.26 -4.87 116.66 121.01 2kbs n ARG 21 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2kbs n ARG 21 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 33.00 2kbs n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kbs n GLY 22 N 0.00 0.05 0.93 2.89 0.00 -1.26 -4.94 105.19 102.85 2kbs n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.48 0.44 0.00 0.99 7.94 -1.26 -4.22 117.00 119.41 2kbs n LEU 23 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 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 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.92 2kbs n GLY 24 N 2.91 1.34 3.24 -3.96 0.00 -1.26 -0.06 105.19 107.39 2kbs n GLY 24 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.70 4.40 0.00 0.00 0.01 -1.09 -4.99 113.70 109.33 2kbs s SER 26 Ca 0.03 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.05 2kbs s SER 26 Cb 0.03 -0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 2kbs s SER 26 CO -0.10 -0.74 -0.03 0.27 0.41 0.00 0.00 173.24 173.05 2kbs s ILE 27 N -2.70 0.22 0.30 1.44 -4.36 -1.26 0.01 121.20 114.86 2kbs s ILE 27 Ca 0.32 -0.22 0.11 0.00 -0.26 0.00 0.00 60.65 60.60 2kbs s ILE 27 Cb 0.02 -0.21 -0.05 0.00 1.25 0.00 0.00 42.46 43.46 2kbs s ILE 27 CO 0.18 -0.00 -0.14 -0.94 0.24 0.00 0.00 174.94 174.28 2kbs s SER 28 N -0.24 3.76 0.04 4.36 1.04 -0.63 -4.76 113.70 117.27 2kbs s SER 28 Ca -0.01 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.40 2kbs s SER 28 Cb -0.02 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2kbs s SER 28 CO -0.00 -0.05 0.08 -0.44 0.98 0.00 0.00 173.24 173.81 2kbs s SER 29 N -3.57 5.58 0.74 7.02 0.01 -1.26 0.16 113.70 122.38 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 -0.03 -1.54 0.12 0.00 0.21 0.00 0.00 66.02 64.78 2kbs s SER 29 CO 0.16 0.22 1.03 -0.83 0.41 0.00 0.00 173.24 174.23 2kbs s GLY 30 N -2.09 1.76 0.00 3.44 0.00 -1.15 -4.92 107.32 104.36 2kbs s GLY 30 Ca 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2kbs s GLY 30 CO 0.18 -0.89 0.00 -1.55 0.00 0.00 0.00 173.10 170.84 2kbs n PRO 31 N -2.96 -0.16 0.09 2.90 -0.04 -1.24 -4.47 135.00 129.12 2kbs n PRO 31 Ca 0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.55 2kbs n PRO 31 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 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 -1.09 1.49 0.00 0.52 1.08 -1.99 -1.04 117.51 116.49 2kbs h ILE 32 Ca 0.00 -2.95 -0.17 0.00 -0.39 0.00 0.00 64.86 61.35 2kbs h ILE 32 Cb 0.00 2.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.36 2kbs h ILE 32 CO 0.00 0.81 -0.83 1.56 -0.69 0.00 0.00 178.15 179.01 2kbs h GLN 33 N 0.00 0.00 -2.02 2.37 4.20 -2.06 -3.37 115.11 114.23 2kbs h GLN 33 Ca -0.01 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.21 2kbs h GLN 33 Cb 1.57 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.95 2kbs h GLN 33 CO 0.11 0.83 -1.16 1.17 -0.67 0.00 0.00 178.83 179.10 2kbs n LYS 34 N -3.40 1.12 -2.46 1.46 4.81 -1.22 -5.11 118.16 113.35 2kbs n LYS 34 Ca 0.00 -3.48 -0.41 0.00 -0.87 0.00 0.00 58.31 53.55 2kbs n LYS 34 Cb 0.84 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 34.11 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 -2.49 4.57 0.00 1.64 0.04 -0.39 -3.64 135.00 134.73 2kbs s PRO 35 Ca 0.41 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2kbs s PRO 35 Cb 0.34 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2kbs s PRO 35 CO -0.08 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2kbs n GLY 36 N 1.90 -1.37 3.54 0.56 0.00 -1.26 -4.85 105.19 103.70 2kbs n GLY 36 Ca 0.02 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.80 5.21 0.50 -0.61 -1.09 -1.26 -2.95 121.20 118.20 2kbs s ILE 37 Ca 0.00 -0.05 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 2kbs s ILE 37 Cb 0.00 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2kbs s ILE 37 CO 0.00 -0.07 0.33 -0.36 -1.23 0.00 0.00 174.94 173.61 2kbs s PHE 38 N 1.92 1.96 -0.11 3.97 0.40 0.12 -2.05 117.98 124.20 2kbs s PHE 38 Ca 0.10 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 2kbs s PHE 38 Cb -0.17 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2kbs s PHE 38 CO 0.11 -0.26 -0.01 0.42 0.70 0.00 0.00 175.22 176.18 2kbs s ILE 39 N -2.71 4.16 0.00 0.64 -1.09 -0.04 -1.60 121.20 120.56 2kbs s ILE 39 Ca 0.35 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2kbs s ILE 39 Cb -0.01 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2kbs s ILE 39 CO 0.21 0.57 0.00 -1.20 -1.23 0.00 0.00 174.94 173.29 2kbs n SER 40 N 2.56 0.62 -4.55 3.58 7.64 0.10 -2.90 113.62 120.66 2kbs n SER 40 Ca -0.18 -0.94 -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 0.00 -3.01 0.00 0.00 175.04 172.03 2kbs n HIS 41 N -0.65 0.81 -4.20 1.43 1.44 -1.26 -3.66 115.22 109.13 2kbs n HIS 41 Ca 0.00 0.69 -0.27 0.00 -2.01 0.00 0.00 57.72 56.14 2kbs n HIS 41 Cb 0.00 -2.18 -0.08 0.00 0.12 0.00 0.00 29.99 27.85 2kbs n HIS 41 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2kbs s VAL 42 N -1.15 3.71 0.03 0.61 1.01 -1.26 -2.67 120.40 120.68 2kbs s VAL 42 Ca 0.60 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2kbs s VAL 42 Cb -0.69 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2kbs s VAL 42 CO 0.59 -0.09 -0.04 -0.54 0.00 0.00 0.00 175.10 175.02 2kbs s LYS 43 N -2.87 2.57 0.78 2.72 1.02 0.13 -4.99 119.74 119.10 2kbs s LYS 43 Ca 0.27 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 2kbs s LYS 43 Cb -0.09 -2.53 0.06 0.00 -0.52 0.00 0.00 37.83 34.74 2kbs s LYS 43 CO 0.18 0.58 1.09 -1.25 -0.92 0.00 0.00 175.35 175.03 2kbs s PRO 44 N -1.74 2.18 -1.12 -1.68 0.04 -1.26 -4.19 135.00 127.22 2kbs s PRO 44 Ca 0.20 1.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2kbs s PRO 44 Cb -0.11 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2kbs s PRO 44 CO 0.11 -1.65 0.87 0.41 0.04 0.00 0.00 177.00 176.78 2kbs n GLY 45 N -1.42 -0.91 1.24 0.56 0.00 -1.26 -5.00 105.19 98.39 2kbs n GLY 45 Ca 0.08 0.44 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.06 -0.59 -0.03 1.61 7.64 -1.26 -5.03 113.62 112.89 2kbs n SER 46 Ca -0.13 -1.63 -0.14 0.00 1.01 0.00 0.00 58.87 57.98 2kbs n SER 46 Cb 0.63 1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 64.78 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 0.14 -0.85 -3.43 -0.00 -0.75 -2.29 115.31 108.13 2kbs h LEU 47 Ca -0.10 -0.65 0.10 0.00 -0.00 0.00 0.00 57.88 57.22 2kbs h LEU 47 Cb 0.43 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 40.97 2kbs h LEU 47 CO 0.14 0.77 0.49 0.77 -0.00 0.00 0.00 178.44 180.61 2kbs h SER 48 N -0.49 0.70 -0.40 -0.43 4.64 -0.92 0.14 113.55 116.80 2kbs h SER 48 Ca -0.01 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 2kbs h SER 48 Cb 0.76 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 2kbs h SER 48 CO 0.02 0.40 -0.23 0.00 -0.87 0.00 0.00 176.83 176.15 2kbs h ALA 49 N 1.47 0.76 -0.48 5.18 0.00 -1.76 0.23 119.26 124.65 2kbs h ALA 49 Ca 0.41 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2kbs h ALA 49 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2kbs h ALA 49 CO -0.25 0.66 -0.04 0.93 0.00 0.00 0.00 179.25 180.55 2kbs h GLU 50 N 0.78 0.88 -0.00 0.00 4.39 -0.66 -2.97 114.58 117.01 2kbs h GLU 50 Ca 0.10 -0.30 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 2kbs h GLU 50 Cb 0.79 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2kbs h GLU 50 CO 0.07 0.94 -0.71 -0.39 -1.16 0.00 0.00 179.01 177.75 2kbs h VAL 51 N 0.73 1.51 0.00 3.13 -1.51 -0.69 -3.48 116.25 115.95 2kbs h VAL 51 Ca 0.13 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.16 2kbs h VAL 51 Cb 0.56 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.04 2kbs h VAL 51 CO 0.03 0.70 0.00 0.61 -1.23 0.00 0.00 177.57 177.68 2kbs n GLY 52 N 0.52 0.85 3.76 5.19 0.00 0.11 -5.01 105.19 110.60 2kbs n GLY 52 Ca -0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 3.43 -0.13 0.99 1.43 0.57 -5.01 118.68 119.97 2kbs s LEU 53 Ca 0.00 -0.58 -0.33 0.00 -1.03 0.00 0.00 54.13 52.19 2kbs s LEU 53 Cb 0.00 -1.96 0.13 0.00 0.03 0.00 0.00 46.19 44.39 2kbs s LEU 53 CO 0.00 -0.20 1.18 -1.61 0.23 0.00 0.00 176.35 175.96 2kbs s GLU 54 N -3.84 0.41 0.49 1.70 0.41 -1.26 -4.77 118.70 111.83 2kbs s GLU 54 Ca 0.36 -0.17 -0.22 0.00 -0.41 0.00 0.00 54.97 54.53 2kbs s GLU 54 Cb -0.05 0.17 -0.08 0.00 -1.78 0.00 0.00 34.13 32.39 2kbs s GLU 54 CO 0.23 -0.18 1.07 -0.89 -0.49 0.00 0.00 175.26 175.00 2kbs n ILE 55 N -0.20 2.97 0.00 -1.63 5.41 -1.24 -2.72 119.36 121.96 2kbs n ILE 55 Ca -0.02 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.23 2kbs n ILE 55 Cb 0.60 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.25 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 1.11 2.59 3.64 7.39 0.00 -1.14 -4.91 105.19 113.86 2kbs n GLY 56 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 0.62 2.57 -0.17 1.61 1.11 -1.10 0.15 116.67 121.46 2kbs s ASP 57 Ca 0.00 1.92 -0.04 0.00 0.18 0.00 0.00 52.55 54.61 2kbs s ASP 57 Cb 0.00 -2.46 0.08 0.00 1.07 0.00 0.00 42.92 41.61 2kbs s ASP 57 CO 0.00 -3.27 0.21 -1.58 1.18 0.00 0.00 175.17 171.71 2kbs s GLN 58 N -4.65 0.15 -0.16 8.23 -0.44 -1.24 -0.86 119.66 120.69 2kbs s GLN 58 Ca 0.66 0.36 -0.29 0.00 -2.50 0.00 0.00 55.36 53.59 2kbs s GLN 58 Cb -0.22 -0.84 -0.04 0.00 -1.64 0.00 0.00 33.01 30.27 2kbs s GLN 58 CO 0.59 -0.52 1.60 0.42 0.50 0.00 0.00 175.29 177.88 2kbs s ILE 59 N 2.33 3.71 -0.13 -2.34 1.01 -0.87 -2.32 121.20 122.59 2kbs s ILE 59 Ca 0.05 0.83 0.18 0.00 0.00 0.00 0.00 60.65 61.71 2kbs s ILE 59 Cb -0.14 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.51 2kbs s ILE 59 CO -0.10 -0.19 0.68 1.33 0.00 0.00 0.00 174.94 176.65 2kbs n VAL 60 N 5.99 1.03 -3.66 2.92 0.24 -0.67 -4.54 118.33 119.64 2kbs n VAL 60 Ca 0.18 -0.68 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 2kbs n VAL 60 Cb 0.44 -0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.96 0.99 -0.27 7.34 2.12 -0.98 -1.62 118.70 123.32 2kbs s GLU 61 Ca -0.05 -0.61 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 2kbs s GLU 61 Cb 0.09 0.44 0.14 0.00 0.26 0.00 0.00 34.13 35.06 2kbs s GLU 61 CO 0.83 -0.37 0.35 0.08 -0.54 0.00 0.00 175.26 175.61 2kbs s VAL 62 N -3.33 -0.54 -1.45 3.70 1.01 -0.52 -1.52 120.40 117.75 2kbs s VAL 62 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2kbs s VAL 62 Cb 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2kbs s VAL 62 CO -0.09 -0.29 0.02 -3.20 0.00 0.00 0.00 175.10 171.55 2kbs n ASN 63 N 5.34 -5.04 0.00 3.32 2.85 0.27 -1.92 115.26 120.08 2kbs n ASN 63 Ca -0.02 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2kbs n ASN 63 Cb 0.49 -4.12 0.00 0.00 1.24 0.00 0.00 39.78 37.39 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 -1.03 3.06 3.72 8.20 0.00 -1.26 -5.00 105.19 112.87 2kbs n GLY 64 Ca -0.20 0.00 -0.42 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 -2.47 3.32 0.03 1.61 1.01 -0.81 -4.96 120.40 118.13 2kbs s VAL 65 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 2kbs s VAL 65 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 2kbs s VAL 65 CO 0.00 0.08 1.48 -1.81 0.00 0.00 0.00 175.10 174.86 2kbs s ASP 66 N 1.01 6.77 -0.01 3.32 1.01 -1.26 -1.44 116.67 126.07 2kbs s ASP 66 Ca 0.63 2.24 0.22 0.00 0.71 0.00 0.00 52.55 56.35 2kbs s ASP 66 Cb -0.36 -2.56 -0.29 0.00 1.01 0.00 0.00 42.92 40.72 2kbs s ASP 66 CO 0.31 -0.77 0.62 0.49 0.21 0.00 0.00 175.17 176.03 2kbs n PHE 67 N 5.39 0.05 -0.07 4.23 3.01 -0.64 -4.08 117.46 125.35 2kbs n PHE 67 Ca 0.14 0.01 -0.07 0.00 1.01 0.00 0.00 57.45 58.54 2kbs n PHE 67 Cb 0.43 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 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 0.00 -0.35 -0.71 4.37 0.87 -1.79 -2.16 113.55 113.78 2kbs h SER 68 Ca 0.00 0.10 -0.38 0.00 -1.23 0.00 0.00 61.79 60.27 2kbs h SER 68 Cb 0.88 0.21 -0.22 0.00 -0.44 0.00 0.00 62.40 62.83 2kbs h SER 68 CO 0.00 -0.13 0.31 -3.20 -0.53 0.00 0.00 176.83 173.28 2kbs n ASN 69 N -5.27 3.42 -4.90 6.23 5.15 -1.26 -4.59 115.26 114.04 2kbs n ASN 69 Ca -0.00 -3.71 -0.33 0.00 -0.60 0.00 0.00 54.58 49.94 2kbs n ASN 69 Cb 0.19 -0.75 -0.05 0.00 -0.53 0.00 0.00 39.78 38.64 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 -3.32 4.36 0.93 1.20 2.96 -0.81 -5.10 118.68 118.89 2kbs s LEU 70 Ca 0.52 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.74 2kbs s LEU 70 Cb 0.45 -2.78 0.15 0.00 0.50 0.00 0.00 46.19 44.51 2kbs s LEU 70 CO 0.05 0.22 1.15 -0.62 -1.32 0.00 0.00 176.35 175.83 2kbs s ASP 71 N -2.01 3.39 -0.03 3.68 2.15 -1.26 -4.60 116.67 117.99 2kbs s ASP 71 Ca 0.30 0.89 -0.21 0.00 0.43 0.00 0.00 52.55 53.97 2kbs s ASP 71 Cb -0.13 -1.41 -0.14 0.00 -0.30 0.00 0.00 42.92 40.94 2kbs s ASP 71 CO 0.20 -2.62 0.92 -0.74 -0.17 0.00 0.00 175.17 172.76 2kbs h HIS 72 N -1.55 -0.34 -0.52 -5.34 6.17 -1.99 -2.45 115.15 109.14 2kbs h HIS 72 Ca -0.50 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 60.63 2kbs h HIS 72 Cb 1.32 0.11 -0.03 0.00 2.52 0.00 0.00 27.41 31.34 2kbs h HIS 72 CO 0.07 0.02 0.35 0.87 0.71 0.00 0.00 177.93 179.95 2kbs h LYS 73 N -0.91 0.49 -0.61 5.26 1.79 -1.99 -1.37 116.57 119.23 2kbs h LYS 73 Ca -0.04 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 2kbs h LYS 73 Cb 0.51 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2kbs h LYS 73 CO 0.06 0.32 0.02 1.49 -1.08 0.00 0.00 179.45 180.27 2kbs h GLU 74 N 0.50 1.06 -0.46 3.15 4.22 -1.94 0.00 114.58 121.12 2kbs h GLU 74 Ca 0.22 -0.33 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 2kbs h GLU 74 Cb 0.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kbs h GLU 74 CO -0.06 1.03 0.20 0.00 -2.18 0.00 0.00 179.01 178.00 2kbs h ALA 75 N 0.99 0.59 -0.23 2.92 0.00 -0.76 -1.52 119.26 121.25 2kbs h ALA 75 Ca 0.18 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2kbs h ALA 75 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kbs h ALA 75 CO 0.03 0.18 -0.41 0.28 0.00 0.00 0.00 179.25 179.33 2kbs h VAL 76 N 0.60 1.30 0.21 0.00 2.07 -1.29 -2.32 116.25 116.81 2kbs h VAL 76 Ca 0.15 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2kbs h VAL 76 Cb 0.16 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2kbs h VAL 76 CO -0.02 0.50 -0.10 -1.13 0.02 0.00 0.00 177.57 176.84 2kbs h ASN 77 N 0.45 -0.24 -0.62 0.57 -0.73 -0.72 0.82 115.58 115.12 2kbs h ASN 77 Ca 0.04 -0.10 -0.01 0.00 1.87 0.00 0.00 56.30 58.10 2kbs h ASN 77 Cb 0.91 0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.53 2kbs h ASN 77 CO 0.08 -0.05 0.36 -0.37 -0.37 0.00 0.00 177.43 177.08 2kbs h VAL 78 N -0.42 1.19 -0.05 2.57 -1.51 -1.30 0.50 116.25 117.23 2kbs h VAL 78 Ca -0.03 -0.44 -0.06 0.00 -1.23 0.00 0.00 66.70 64.94 2kbs h VAL 78 Cb 0.32 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 2kbs h VAL 78 CO 0.05 0.20 -0.27 -0.07 -1.23 0.00 0.00 177.57 176.24 2kbs h LEU 79 N 0.84 0.09 0.09 4.19 -0.00 -1.34 -2.21 115.31 116.98 2kbs h LEU 79 Ca 0.22 -0.02 -0.28 0.00 -0.00 0.00 0.00 57.88 57.80 2kbs h LEU 79 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2kbs h LEU 79 CO -0.04 0.36 -1.36 0.11 -0.00 0.00 0.00 178.44 177.51 2kbs h LYS 80 N 0.08 0.20 0.34 1.13 6.56 -0.16 -3.39 116.57 121.34 2kbs h LYS 80 Ca 0.01 -0.34 -0.02 0.00 -1.06 0.00 0.00 60.65 59.24 2kbs h LYS 80 Cb 0.53 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2kbs h LYS 80 CO 0.04 1.09 -0.16 1.03 -2.06 0.00 0.00 179.45 179.38 2kbs h SER 81 N 0.05 -0.38 -3.22 0.86 0.87 0.24 -3.42 113.55 108.54 2kbs h SER 81 Ca -0.17 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.84 2kbs h SER 81 Cb 1.96 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.99 2kbs h SER 81 CO 0.17 -0.21 0.60 -0.44 -0.53 0.00 0.00 176.83 176.41 2kbs s SER 82 N -3.26 7.21 0.03 6.23 0.01 -0.85 -4.94 113.70 118.12 2kbs s SER 82 Ca -0.07 1.59 -0.19 0.00 1.31 0.00 0.00 55.95 58.59 2kbs s SER 82 Cb 0.01 -2.56 -0.19 0.00 0.21 0.00 0.00 66.02 63.49 2kbs s SER 82 CO 0.20 -0.48 1.21 -0.09 0.41 0.00 0.00 173.24 174.49 2kbs h ARG 83 N 7.17 0.48 -4.43 12.44 2.43 -1.83 -3.41 114.38 127.23 2kbs h ARG 83 Ca -0.31 -0.40 -0.68 0.00 -0.81 0.00 0.00 59.98 57.77 2kbs h ARG 83 Cb 1.15 0.09 -0.36 0.00 -0.42 0.00 0.00 29.97 30.42 2kbs h ARG 83 CO 0.86 1.04 -0.58 -1.54 -1.51 0.00 0.00 179.97 178.24 2kbs s SER 84 N -6.64 5.10 0.04 -3.80 1.04 -1.26 -4.16 113.70 104.03 2kbs s SER 84 Ca -0.13 -2.17 0.05 0.00 0.48 0.00 0.00 55.95 54.19 2kbs s SER 84 Cb 0.05 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.37 2kbs s SER 84 CO 0.82 -0.48 -0.15 -1.48 0.98 0.00 0.00 173.24 172.93 2kbs s LEU 85 N 0.93 2.18 -0.31 2.42 0.05 -0.45 -4.97 118.68 118.54 2kbs s LEU 85 Ca 0.10 -0.49 -0.18 0.00 0.05 0.00 0.00 54.13 53.61 2kbs s LEU 85 Cb -0.22 -0.65 -0.01 0.00 -2.05 0.00 0.00 46.19 43.26 2kbs s LEU 85 CO -0.05 0.04 0.52 -0.89 -0.55 0.00 0.00 176.35 175.42 2kbs s THR 86 N -0.89 5.03 -0.14 5.48 2.01 -1.26 -2.12 115.64 123.75 2kbs s THR 86 Ca 0.02 0.58 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 2kbs s THR 86 Cb -0.08 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 2kbs s THR 86 CO 0.01 -0.10 -0.13 0.27 -0.69 0.00 0.00 174.62 173.99 2kbs s ILE 87 N 2.39 3.06 -0.39 1.82 -4.36 -0.09 0.94 121.20 124.57 2kbs s ILE 87 Ca 0.20 -0.65 -0.13 0.00 -0.26 0.00 0.00 60.65 59.80 2kbs s ILE 87 Cb -0.15 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.29 2kbs s ILE 87 CO 0.12 0.52 0.26 -0.44 0.24 0.00 0.00 174.94 175.64 2kbs s SER 88 N 0.43 5.95 0.05 4.36 0.01 -0.57 -1.19 113.70 122.73 2kbs s SER 88 Ca -0.10 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.29 2kbs s SER 88 Cb -0.16 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 2kbs s SER 88 CO 0.05 -0.41 -0.05 -0.51 0.41 0.00 0.00 173.24 172.72 2kbs s ILE 89 N 1.63 3.73 -0.25 1.44 -1.16 0.28 -1.68 121.20 125.19 2kbs s ILE 89 Ca 0.04 -0.92 -0.00 0.00 -0.51 0.00 0.00 60.65 59.25 2kbs s ILE 89 Cb -0.19 -2.69 0.04 0.00 0.61 0.00 0.00 42.46 40.22 2kbs s ILE 89 CO 0.09 0.26 -0.08 -0.69 -2.81 0.00 0.00 174.94 171.70 2kbs s VAL 90 N -1.14 2.60 0.39 4.00 1.01 -0.98 0.12 120.40 126.40 2kbs s VAL 90 Ca 0.21 -1.26 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 2kbs s VAL 90 Cb -0.11 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 2kbs s VAL 90 CO 0.12 0.12 1.34 0.00 0.00 0.00 0.00 175.10 176.67 2kbs n ALA 91 N 4.59 1.58 0.00 5.51 0.00 -1.26 -1.81 120.51 129.12 2kbs n ALA 91 Ca -0.16 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kbs n ALA 91 Cb 0.45 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 0.13 0.00 0.34 0.00 0.00 -1.26 -4.83 120.51 114.89 2kbs n ALA 92 Ca 0.05 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 92 Cb 0.38 0.00 1.15 0.00 0.00 0.00 0.00 19.45 20.99 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 1.07 0.00 0.00 0.00 -1.56 -2.87 119.26 115.90 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 -0.06 -1.25 0.41 0.00 0.00 0.00 179.25 178.36 2kbs n GLY 94 N -1.11 -0.17 0.36 0.00 0.00 -0.22 -4.68 105.19 99.38 2kbs n GLY 94 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.44 -0.89 1.61 3.08 0.16 -1.93 114.38 116.85 2kbs h ARG 95 Ca -0.10 -0.03 0.22 0.00 0.07 0.00 0.00 59.98 60.14 2kbs h ARG 95 Cb 1.22 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 31.04 2kbs h ARG 95 CO 0.00 0.29 0.38 1.05 -1.07 0.00 0.00 179.97 180.63 2kbs h GLU 96 N 0.46 0.39 -0.02 0.04 4.11 -1.80 0.18 114.58 117.93 2kbs h GLU 96 Ca 0.30 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 2kbs h GLU 96 Cb 0.57 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2kbs h GLU 96 CO -0.09 0.26 -0.04 -0.07 0.07 0.00 0.00 179.01 179.14 2kbs h LEU 97 N 0.40 0.07 -2.02 3.06 3.38 -1.67 -3.12 115.31 115.41 2kbs h LEU 97 Ca 0.55 -0.57 0.15 0.00 0.09 0.00 0.00 57.88 58.10 2kbs h LEU 97 Cb 1.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2kbs h LEU 97 CO -0.52 0.62 0.40 -0.26 0.09 0.00 0.00 178.44 178.76 2kbs h PHE 98 N -0.48 0.00 -2.23 1.13 -1.00 -1.07 -3.41 116.94 109.88 2kbs h PHE 98 Ca 0.00 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 2kbs h PHE 98 Cb 0.61 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.21 2kbs h PHE 98 CO 0.12 0.00 1.00 -1.33 -1.61 0.00 0.00 178.31 176.49 2kbs n MET 99 N -4.20 2.33 0.00 1.51 2.81 0.48 -5.10 117.12 114.95 2kbs n MET 99 Ca 0.09 0.85 0.13 0.00 -1.81 0.00 0.00 57.70 56.96 2kbs n MET 99 Cb 0.61 -2.68 0.40 0.00 -0.71 0.00 0.00 33.22 30.84 2kbs n MET 99 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89