#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 3.27 -0.01 1.64 2.02 -1.26 -4.40 118.70 119.97 2kbs s GLU 10 Ca 0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 54.97 54.74 2kbs s GLU 10 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 2kbs s GLU 10 CO 0.00 0.75 0.14 0.21 0.02 0.00 0.00 175.26 176.38 2kbs s LYS 11 N -1.00 3.27 -0.03 1.61 2.20 0.39 -4.96 119.74 121.21 2kbs s LYS 11 Ca 0.15 -0.40 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2kbs s LYS 11 Cb -0.12 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 2kbs s LYS 11 CO 0.04 0.66 -0.07 0.15 -0.36 0.00 0.00 175.35 175.77 2kbs s LYS 12 N -1.86 2.63 0.02 4.03 -0.14 -1.26 -0.57 119.74 122.59 2kbs s LYS 12 Ca 0.25 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 54.18 2kbs s LYS 12 Cb -0.12 -2.53 -0.01 0.00 -1.68 0.00 0.00 37.83 33.48 2kbs s LYS 12 CO 0.17 0.63 0.06 0.08 -0.76 0.00 0.00 175.35 175.53 2kbs s VAL 13 N -0.90 0.11 -0.05 3.17 1.01 -0.52 -4.92 120.40 118.30 2kbs s VAL 13 Ca 0.15 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2kbs s VAL 13 Cb -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.75 2kbs s VAL 13 CO 0.04 -0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 174.17 2kbs s PHE 14 N -1.83 1.26 -0.27 5.22 0.40 -1.26 -1.48 117.98 120.02 2kbs s PHE 14 Ca -0.12 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2kbs s PHE 14 Cb -0.06 -0.93 0.08 0.00 0.51 0.00 0.00 43.02 42.62 2kbs s PHE 14 CO -0.01 -0.21 0.04 0.42 0.70 0.00 0.00 175.22 176.15 2kbs s ILE 15 N 0.53 1.14 -0.21 0.64 -1.09 -0.93 -4.94 121.20 116.34 2kbs s ILE 15 Ca -0.11 -1.29 0.13 0.00 -2.23 0.00 0.00 60.65 57.16 2kbs s ILE 15 Cb -0.14 -1.69 0.43 0.00 -1.58 0.00 0.00 42.46 39.49 2kbs s ILE 15 CO 0.02 -0.42 1.31 -0.24 -1.23 0.00 0.00 174.94 174.39 2kbs n SER 16 N 4.77 2.42 -3.68 3.58 2.88 -1.24 -2.07 113.62 120.29 2kbs n SER 16 Ca -0.05 -3.54 -0.28 0.00 -1.33 0.00 0.00 58.87 53.66 2kbs n SER 16 Cb 0.44 -0.54 0.03 0.00 -0.75 0.00 0.00 64.21 63.38 2kbs n SER 16 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kbs n LEU 17 N -1.10 -2.80 -4.13 2.46 4.32 -1.25 -4.71 117.00 109.78 2kbs n LEU 17 Ca 0.23 -0.93 -0.34 0.00 -0.02 0.00 0.00 56.01 54.96 2kbs n LEU 17 Cb 0.82 -2.25 -0.14 0.00 -1.62 0.00 0.00 43.42 40.22 2kbs n LEU 17 CO 0.07 0.30 -0.42 0.54 -1.22 0.00 0.00 177.39 176.67 2kbs s VAL 18 N -3.32 2.59 0.00 4.08 0.11 -1.26 -4.44 120.40 118.16 2kbs s VAL 18 Ca 0.33 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2kbs s VAL 18 Cb -0.13 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.27 2kbs s VAL 18 CO 0.87 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 173.26 2kbs n GLY 19 N 4.55 0.64 2.90 6.54 0.00 -1.26 -4.77 105.19 113.79 2kbs n GLY 19 Ca -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 -0.98 -2.68 1.61 2.88 -1.26 -4.51 113.62 108.68 2kbs n SER 20 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2kbs n SER 20 Cb 0.00 -0.60 -0.03 0.00 -0.75 0.00 0.00 64.21 62.83 2kbs n SER 20 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kbs n ARG 21 N -2.08 -3.51 0.00 -1.46 3.00 -1.26 -5.05 116.66 106.30 2kbs n ARG 21 Ca 0.00 2.70 0.00 0.00 -0.01 0.00 0.00 57.85 60.54 2kbs n ARG 21 Cb 0.02 -3.59 0.00 0.00 0.00 0.00 0.00 32.46 28.89 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 1.99 4.31 0.08 -0.13 0.00 -1.26 -5.02 105.19 105.16 2kbs n GLY 22 Ca -0.24 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 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 0.14 -0.26 0.99 5.85 -1.96 -3.20 115.31 116.88 2kbs h LEU 23 Ca 0.00 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.86 2kbs h LEU 23 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2kbs h LEU 23 CO 0.00 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.70 2kbs n GLY 24 N 1.28 0.82 3.30 3.75 0.00 -1.26 0.27 105.19 113.35 2kbs n GLY 24 Ca -0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.28 4.38 -0.01 0.00 0.15 -1.06 -4.99 113.70 109.88 2kbs s SER 26 Ca -0.02 -1.25 0.01 0.00 0.70 0.00 0.00 55.95 55.38 2kbs s SER 26 Cb 0.00 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2kbs s SER 26 CO -0.06 -0.73 -0.03 0.27 1.20 0.00 0.00 173.24 173.89 2kbs s ILE 27 N -2.70 0.30 0.30 6.45 -4.36 -1.26 -0.10 121.20 119.83 2kbs s ILE 27 Ca 0.32 -0.12 0.11 0.00 -0.26 0.00 0.00 60.65 60.70 2kbs s ILE 27 Cb 0.02 -0.29 -0.06 0.00 1.25 0.00 0.00 42.46 43.39 2kbs s ILE 27 CO 0.18 0.11 -0.16 -0.94 0.24 0.00 0.00 174.94 174.37 2kbs s SER 28 N 0.19 3.63 0.15 4.36 1.04 -0.53 -4.78 113.70 117.76 2kbs s SER 28 Ca -0.02 -1.09 0.05 0.00 0.48 0.00 0.00 55.95 55.37 2kbs s SER 28 Cb -0.05 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 2kbs s SER 28 CO -0.00 -0.05 0.14 -0.94 0.98 0.00 0.00 173.24 173.36 2kbs s SER 29 N -3.55 5.59 0.57 7.02 1.04 -1.26 0.42 113.70 123.54 2kbs s SER 29 Ca 0.31 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.72 2kbs s SER 29 Cb -0.02 -1.49 0.07 0.00 0.10 0.00 0.00 66.02 64.68 2kbs s SER 29 CO 0.15 0.08 0.56 -0.83 0.98 0.00 0.00 173.24 174.19 2kbs s GLY 30 N -3.03 2.14 0.00 7.32 0.00 -1.24 -4.95 107.32 107.56 2kbs s GLY 30 Ca 0.31 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2kbs s GLY 30 CO 0.24 -1.87 0.00 -1.55 0.00 0.00 0.00 173.10 169.92 2kbs n PRO 31 N -1.99 -0.39 0.15 2.90 -0.04 -1.26 -4.68 135.00 129.69 2kbs n PRO 31 Ca 0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2kbs n PRO 31 Cb 0.64 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.27 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 -1.17 1.06 -0.30 0.52 2.04 -2.00 -2.65 117.51 115.02 2kbs h ILE 32 Ca 0.00 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 2kbs h ILE 32 Cb 0.00 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2kbs h ILE 32 CO 0.00 0.51 0.06 1.56 0.00 0.00 0.00 178.15 180.28 2kbs h GLN 33 N 0.00 0.43 -1.44 2.37 4.20 -2.06 -3.36 115.11 115.25 2kbs h GLN 33 Ca -0.01 -0.07 -0.38 0.00 0.06 0.00 0.00 58.65 58.26 2kbs h GLN 33 Cb 1.15 -0.08 -0.27 0.00 0.30 0.00 0.00 27.48 28.59 2kbs h GLN 33 CO 0.07 0.41 -0.76 1.63 -0.67 0.00 0.00 178.83 179.51 2kbs n LYS 34 N -4.36 0.50 -2.53 1.46 5.02 -1.19 -5.14 118.16 111.93 2kbs n LYS 34 Ca 0.01 -2.57 -0.39 0.00 -2.02 0.00 0.00 58.31 53.35 2kbs n LYS 34 Cb 0.18 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.66 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 0.20 4.52 0.00 1.97 0.04 -1.00 -4.21 135.00 136.51 2kbs s PRO 35 Ca 0.32 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kbs s PRO 35 Cb 0.09 -3.00 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 0.95 1.63 3.61 0.56 0.00 -1.26 -4.54 105.19 106.14 2kbs n GLY 36 Ca 0.01 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 2kbs n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kbs s ILE 37 N -2.00 4.54 0.49 -0.61 -1.09 -1.24 -3.68 121.20 117.61 2kbs s ILE 37 Ca 0.00 1.31 0.08 0.00 -2.23 0.00 0.00 60.65 59.81 2kbs s ILE 37 Cb 0.00 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 2kbs s ILE 37 CO 0.00 -0.56 0.57 -0.36 -1.23 0.00 0.00 174.94 173.36 2kbs s PHE 38 N 3.59 2.15 -0.12 3.97 0.08 0.17 -1.47 117.98 126.35 2kbs s PHE 38 Ca 0.40 -0.59 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 2kbs s PHE 38 Cb -0.12 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.09 2kbs s PHE 38 CO 0.19 -0.60 -0.02 0.42 -0.10 0.00 0.00 175.22 175.11 2kbs s ILE 39 N -2.54 4.13 0.00 0.64 -1.09 0.75 -1.45 121.20 121.63 2kbs s ILE 39 Ca 0.53 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2kbs s ILE 39 Cb -0.06 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 2kbs s ILE 39 CO 0.32 0.55 0.00 -1.20 -1.23 0.00 0.00 174.94 173.38 2kbs n SER 40 N 2.81 0.62 -4.66 3.58 7.64 0.86 -2.82 113.62 121.65 2kbs n SER 40 Ca -0.18 -0.97 -0.42 0.00 1.01 0.00 0.00 58.87 58.31 2kbs n SER 40 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.67 1.85 -4.51 1.43 1.44 -1.26 -3.42 115.22 110.09 2kbs n HIS 41 Ca 0.00 0.57 -0.26 0.00 -2.01 0.00 0.00 57.72 56.02 2kbs n HIS 41 Cb 0.00 -2.34 -0.13 0.00 0.12 0.00 0.00 29.99 27.63 2kbs n HIS 41 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 2kbs s VAL 42 N -1.15 1.79 0.20 0.61 -7.23 -1.26 -2.57 120.40 110.79 2kbs s VAL 42 Ca 0.59 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2kbs s VAL 42 Cb -0.57 -1.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2kbs s VAL 42 CO 0.60 0.11 0.41 -0.54 -0.31 0.00 0.00 175.10 175.37 2kbs s LYS 43 N -1.54 3.56 1.16 4.82 1.02 0.22 -4.96 119.74 124.02 2kbs s LYS 43 Ca 0.08 -0.23 -0.19 0.00 0.02 0.00 0.00 55.97 55.65 2kbs s LYS 43 Cb -0.09 -2.82 0.28 0.00 -0.52 0.00 0.00 37.83 34.68 2kbs s LYS 43 CO 0.03 0.39 1.20 -1.25 -0.92 0.00 0.00 175.35 174.80 2kbs s PRO 44 N -3.17 -0.89 -1.35 -1.68 0.04 -1.26 -4.14 135.00 122.55 2kbs s PRO 44 Ca 0.40 -0.30 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 2kbs s PRO 44 Cb -0.11 -1.66 0.04 0.00 0.04 0.00 0.00 34.50 32.81 2kbs s PRO 44 CO 0.28 -3.45 0.46 0.41 0.04 0.00 0.00 177.00 174.74 2kbs n GLY 45 N -1.95 -0.50 0.00 0.56 0.00 -1.26 -4.93 105.19 97.11 2kbs n GLY 45 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2kbs n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kbs n SER 46 N -2.30 0.79 -0.00 1.61 3.41 -1.26 -4.91 113.62 110.96 2kbs n SER 46 Ca -0.06 -0.57 -0.22 0.00 -0.26 0.00 0.00 58.87 57.76 2kbs n SER 46 Cb 0.58 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 2kbs n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2kbs h LEU 47 N 0.00 0.37 -1.08 1.04 3.38 -0.59 -3.05 115.31 115.37 2kbs h LEU 47 Ca 0.00 -0.86 0.16 0.00 0.09 0.00 0.00 57.88 57.27 2kbs h LEU 47 Cb 0.00 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 2kbs h LEU 47 CO 0.00 1.73 0.62 0.77 0.09 0.00 0.00 178.44 181.64 2kbs h SER 48 N -0.20 0.80 0.46 -0.43 4.64 -0.46 0.30 113.55 118.67 2kbs h SER 48 Ca -0.37 0.07 -0.24 0.00 -0.47 0.00 0.00 61.79 60.78 2kbs h SER 48 Cb 1.85 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2kbs h SER 48 CO 0.05 0.37 -1.02 0.00 -0.87 0.00 0.00 176.83 175.35 2kbs h ALA 49 N 1.59 0.31 -0.54 5.18 0.00 -1.78 1.06 119.26 125.09 2kbs h ALA 49 Ca 0.52 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2kbs h ALA 49 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2kbs h ALA 49 CO -0.30 0.88 0.12 0.93 0.00 0.00 0.00 179.25 180.88 2kbs h GLU 50 N 0.17 0.87 0.08 0.00 4.39 -0.86 -3.07 114.58 116.15 2kbs h GLU 50 Ca -0.09 -0.21 -0.25 0.00 0.34 0.00 0.00 59.36 59.14 2kbs h GLU 50 Cb 1.68 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 2kbs h GLU 50 CO 0.17 0.83 -1.13 -0.39 -1.16 0.00 0.00 179.01 177.33 2kbs h VAL 51 N 0.76 1.49 0.00 3.13 -1.51 -0.57 -3.49 116.25 116.06 2kbs h VAL 51 Ca 0.17 -2.89 0.00 0.00 -1.23 0.00 0.00 66.70 62.74 2kbs h VAL 51 Cb 0.36 2.78 0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2kbs h VAL 51 CO 0.00 0.85 0.00 0.61 -1.23 0.00 0.00 177.57 177.80 2kbs n GLY 52 N 1.32 0.54 3.74 5.19 0.00 -0.49 -5.06 105.19 110.44 2kbs n GLY 52 Ca -0.07 -0.81 -0.23 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 3.31 0.00 0.99 1.43 0.36 -5.00 118.68 119.77 2kbs s LEU 53 Ca 0.00 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 2kbs s LEU 53 Cb 0.00 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2kbs s LEU 53 CO 0.00 -0.27 0.00 -0.62 0.23 0.00 0.00 176.35 175.69 2kbs n GLU 54 N -1.15 0.00 -1.68 1.70 1.02 -1.26 -4.69 120.64 114.57 2kbs n GLU 54 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 2kbs n GLU 54 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.02 2kbs n GLU 54 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kbs n ILE 55 N -0.20 1.99 0.00 -3.67 5.41 -1.22 -2.72 119.36 118.95 2kbs n ILE 55 Ca 0.00 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.25 2kbs n ILE 55 Cb 0.00 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 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 0.84 1.67 3.73 7.39 0.00 -1.13 -4.90 105.19 112.79 2kbs n GLY 56 Ca 0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.07 3.53 -0.20 1.61 1.01 -1.10 0.12 116.67 121.57 2kbs s ASP 57 Ca 0.00 1.42 -0.05 0.00 0.71 0.00 0.00 52.55 54.63 2kbs s ASP 57 Cb 0.00 -2.10 0.10 0.00 1.01 0.00 0.00 42.92 41.93 2kbs s ASP 57 CO 0.00 -2.59 0.39 -1.58 0.21 0.00 0.00 175.17 171.60 2kbs s GLN 58 N -4.98 0.31 -0.16 8.23 0.74 -1.25 -0.18 119.66 122.37 2kbs s GLN 58 Ca 0.63 0.86 -0.29 0.00 0.05 0.00 0.00 55.36 56.61 2kbs s GLN 58 Cb -0.17 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 33.96 2kbs s GLN 58 CO 0.56 -0.37 1.60 0.42 -0.55 0.00 0.00 175.29 176.96 2kbs s ILE 59 N 2.57 3.71 -2.45 -2.34 1.01 -0.54 -2.38 121.20 120.78 2kbs s ILE 59 Ca 0.03 0.82 0.23 0.00 0.00 0.00 0.00 60.65 61.73 2kbs s ILE 59 Cb -0.13 -3.64 0.43 0.00 0.01 0.00 0.00 42.46 39.13 2kbs s ILE 59 CO -0.13 -0.20 1.43 1.33 0.00 0.00 0.00 174.94 177.37 2kbs n VAL 60 N 6.01 0.46 -3.63 2.92 0.24 0.33 -4.40 118.33 120.26 2kbs n VAL 60 Ca 0.18 -0.68 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 2kbs n VAL 60 Cb 0.44 0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 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 -1.54 0.13 -0.29 7.34 2.12 -0.93 -3.53 118.70 121.99 2kbs s GLU 61 Ca 0.38 -0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.71 2kbs s GLU 61 Cb 0.22 0.06 0.17 0.00 0.26 0.00 0.00 34.13 34.84 2kbs s GLU 61 CO 0.31 -0.05 0.46 0.08 -0.54 0.00 0.00 175.26 175.51 2kbs s VAL 62 N -1.81 -0.73 -1.57 3.70 1.01 -0.80 -0.33 120.40 119.86 2kbs s VAL 62 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2kbs s VAL 62 Cb -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2kbs s VAL 62 CO -0.04 -0.21 0.00 0.59 0.00 0.00 0.00 175.10 175.44 2kbs n ASN 63 N 5.37 -5.33 0.00 3.32 4.13 0.22 -1.19 115.26 121.79 2kbs n ASN 63 Ca 0.02 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2kbs n ASN 63 Cb 0.51 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.29 2kbs n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kbs n GLY 64 N -0.95 2.54 3.67 7.41 0.00 -1.26 -5.01 105.19 111.58 2kbs n GLY 64 Ca -0.22 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2kbs n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kbs n VAL 65 N 0.00 0.73 -1.83 1.61 0.31 -0.33 -4.87 118.33 113.95 2kbs n VAL 65 Ca 0.00 -0.13 -0.40 0.00 -0.01 0.00 0.00 64.34 63.80 2kbs n VAL 65 Cb 0.00 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 30.68 2kbs n VAL 65 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kbs s ASP 66 N 4.35 5.26 0.00 4.52 -1.08 -1.26 -1.91 116.67 126.55 2kbs s ASP 66 Ca 0.90 1.07 0.14 0.00 -0.52 0.00 0.00 52.55 54.14 2kbs s ASP 66 Cb -0.49 -2.52 0.42 0.00 -1.46 0.00 0.00 42.92 38.87 2kbs s ASP 66 CO 0.44 -2.25 1.34 0.49 0.52 0.00 0.00 175.17 175.71 2kbs n PHE 67 N 12.69 0.52 0.12 -5.34 3.01 -1.23 -3.67 117.46 123.57 2kbs n PHE 67 Ca 0.27 -0.26 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 2kbs n PHE 67 Cb 0.50 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.20 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 2.49 0.17 -0.02 4.37 0.87 -1.82 -3.31 113.55 116.30 2kbs h SER 68 Ca 0.00 -0.07 -0.18 0.00 -1.23 0.00 0.00 61.79 60.31 2kbs h SER 68 Cb 0.57 -0.05 -0.37 0.00 -0.44 0.00 0.00 62.40 62.11 2kbs h SER 68 CO 0.00 0.60 -1.00 -0.46 -0.53 0.00 0.00 176.83 175.45 2kbs n ASN 69 N -3.99 0.90 -4.81 6.23 0.23 -1.26 -4.28 115.26 108.28 2kbs n ASN 69 Ca -0.02 -2.00 -0.35 0.00 -0.53 0.00 0.00 54.58 51.69 2kbs n ASN 69 Cb 0.50 -0.27 -0.07 0.00 -2.08 0.00 0.00 39.78 37.86 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2kbs s LEU 70 N -0.21 4.14 0.68 -4.53 2.96 -1.24 -4.99 118.68 115.49 2kbs s LEU 70 Ca 0.31 1.63 -0.12 0.00 -0.22 0.00 0.00 54.13 55.74 2kbs s LEU 70 Cb 0.36 -4.17 0.00 0.00 0.50 0.00 0.00 46.19 42.88 2kbs s LEU 70 CO -0.15 -0.19 1.07 -0.62 -1.32 0.00 0.00 176.35 175.13 2kbs s ASP 71 N -1.95 5.36 0.11 3.68 2.15 -1.26 -4.43 116.67 120.33 2kbs s ASP 71 Ca 0.54 1.71 -0.24 0.00 0.43 0.00 0.00 52.55 54.99 2kbs s ASP 71 Cb -0.13 -2.51 -0.10 0.00 -0.30 0.00 0.00 42.92 39.88 2kbs s ASP 71 CO 0.18 -1.45 1.69 -0.74 -0.17 0.00 0.00 175.17 174.67 2kbs h HIS 72 N -0.43 -0.32 -0.96 -5.34 2.76 -1.96 -1.27 115.15 107.63 2kbs h HIS 72 Ca -0.45 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 57.75 2kbs h HIS 72 Cb 1.22 0.14 -0.05 0.00 1.55 0.00 0.00 27.41 30.26 2kbs h HIS 72 CO 0.60 -0.19 0.64 0.87 -1.30 0.00 0.00 177.93 178.55 2kbs h LYS 73 N -0.23 1.24 -0.80 5.26 1.57 -1.99 -2.12 116.57 119.50 2kbs h LYS 73 Ca 0.03 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2kbs h LYS 73 Cb 0.26 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2kbs h LYS 73 CO -0.09 0.82 0.50 0.93 -0.57 0.00 0.00 179.45 181.04 2kbs h GLU 74 N 1.28 1.07 -0.22 3.15 3.07 -1.82 0.36 114.58 121.46 2kbs h GLU 74 Ca 0.36 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2kbs h GLU 74 Cb -0.11 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.56 2kbs h GLU 74 CO -0.09 0.73 0.10 0.00 -1.40 0.00 0.00 179.01 178.35 2kbs h ALA 75 N 1.27 0.29 -0.25 3.43 0.00 -0.61 -1.55 119.26 121.83 2kbs h ALA 75 Ca 0.29 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2kbs h ALA 75 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2kbs h ALA 75 CO -0.06 -0.13 -0.36 0.28 0.00 0.00 0.00 179.25 178.98 2kbs h VAL 76 N 0.22 1.29 0.82 0.00 2.07 -1.14 -2.33 116.25 117.18 2kbs h VAL 76 Ca 0.07 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2kbs h VAL 76 Cb 0.15 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2kbs h VAL 76 CO -0.01 0.48 -0.40 -1.13 0.02 0.00 0.00 177.57 176.53 2kbs h ASN 77 N 0.47 -0.94 -0.69 0.57 -1.24 -0.08 0.78 115.58 114.46 2kbs h ASN 77 Ca 0.05 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.13 2kbs h ASN 77 Cb 0.85 0.24 -0.05 0.00 0.73 0.00 0.00 38.32 40.09 2kbs h ASN 77 CO 0.07 -0.63 0.40 -0.37 -1.29 0.00 0.00 177.43 175.62 2kbs h VAL 78 N -1.18 1.02 -0.37 2.57 -1.51 -1.34 0.87 116.25 116.31 2kbs h VAL 78 Ca -0.11 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.08 2kbs h VAL 78 Cb 0.86 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.19 2kbs h VAL 78 CO 0.19 0.14 0.15 -0.07 -1.23 0.00 0.00 177.57 176.75 2kbs h LEU 79 N 0.76 0.46 0.00 4.19 -0.00 -1.35 -1.84 115.31 117.53 2kbs h LEU 79 Ca 0.30 -0.04 -0.18 0.00 -0.00 0.00 0.00 57.88 57.95 2kbs h LEU 79 Cb 0.12 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 2kbs h LEU 79 CO -0.15 0.42 -0.99 0.11 -0.00 0.00 0.00 178.44 177.83 2kbs h LYS 80 N 0.52 0.00 0.45 1.13 6.56 0.59 -3.38 116.57 122.45 2kbs h LYS 80 Ca 0.13 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.70 2kbs h LYS 80 Cb 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 2kbs h LYS 80 CO -0.01 0.66 -0.22 1.03 -2.06 0.00 0.00 179.45 178.85 2kbs h SER 81 N 0.00 -0.51 -3.03 0.86 0.87 0.15 -3.44 113.55 108.45 2kbs h SER 81 Ca -0.07 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.90 2kbs h SER 81 Cb 1.65 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.69 2kbs h SER 81 CO 0.09 -0.30 -0.20 -0.55 -0.53 0.00 0.00 176.83 175.34 2kbs s SER 82 N -3.48 6.80 -0.01 6.23 0.15 -0.90 -5.00 113.70 117.50 2kbs s SER 82 Ca -0.09 0.96 -0.19 0.00 0.70 0.00 0.00 55.95 57.33 2kbs s SER 82 Cb 0.01 -2.25 -0.31 0.00 -1.71 0.00 0.00 66.02 61.76 2kbs s SER 82 CO 0.27 0.31 0.98 -0.09 1.20 0.00 0.00 173.24 175.90 2kbs h ARG 83 N 4.59 0.42 -3.83 5.44 2.43 -1.85 -3.41 114.38 118.17 2kbs h ARG 83 Ca -0.51 -0.65 -0.75 0.00 -0.81 0.00 0.00 59.98 57.26 2kbs h ARG 83 Cb 1.22 0.23 -0.29 0.00 -0.42 0.00 0.00 29.97 30.70 2kbs h ARG 83 CO 0.62 1.29 -0.13 0.45 -1.51 0.00 0.00 179.97 180.69 2kbs s SER 84 N -7.15 6.12 0.07 -3.80 0.15 -1.25 -3.68 113.70 104.15 2kbs s SER 84 Ca -0.12 -2.59 0.09 0.00 0.70 0.00 0.00 55.95 54.04 2kbs s SER 84 Cb 0.03 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.23 2kbs s SER 84 CO 0.87 -0.54 -0.25 -0.76 1.20 0.00 0.00 173.24 173.76 2kbs s LEU 85 N 0.33 2.21 -0.31 3.45 1.02 -0.88 -4.97 118.68 119.54 2kbs s LEU 85 Ca 0.15 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.57 2kbs s LEU 85 Cb -0.17 -1.18 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 2kbs s LEU 85 CO -0.05 0.21 0.19 -0.89 0.02 0.00 0.00 176.35 175.83 2kbs s THR 86 N -0.89 5.04 -0.20 5.49 2.01 -1.26 -2.18 115.64 123.65 2kbs s THR 86 Ca 0.11 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 2kbs s THR 86 Cb -0.10 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.86 2kbs s THR 86 CO 0.03 0.10 0.03 0.27 -0.69 0.00 0.00 174.62 174.36 2kbs s ILE 87 N 1.70 4.24 -0.52 1.82 -4.36 -0.55 0.73 121.20 124.26 2kbs s ILE 87 Ca 0.06 -0.22 -0.18 0.00 -0.26 0.00 0.00 60.65 60.06 2kbs s ILE 87 Cb -0.17 -2.92 0.08 0.00 1.25 0.00 0.00 42.46 40.70 2kbs s ILE 87 CO 0.09 0.43 0.55 -0.44 0.24 0.00 0.00 174.94 175.81 2kbs s SER 88 N 0.88 6.19 0.05 4.36 0.01 0.55 -1.43 113.70 124.31 2kbs s SER 88 Ca 0.02 -1.27 0.04 0.00 1.31 0.00 0.00 55.95 56.05 2kbs s SER 88 Cb -0.14 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2kbs s SER 88 CO 0.02 -0.86 -0.02 -0.51 0.41 0.00 0.00 173.24 172.28 2kbs s ILE 89 N 2.19 3.93 -0.22 1.44 -1.16 0.26 0.12 121.20 127.78 2kbs s ILE 89 Ca 0.09 -0.87 0.02 0.00 -0.51 0.00 0.00 60.65 59.38 2kbs s ILE 89 Cb -0.23 -2.81 0.04 0.00 0.61 0.00 0.00 42.46 40.07 2kbs s ILE 89 CO 0.08 0.24 -0.14 -0.69 -2.81 0.00 0.00 174.94 171.61 2kbs s VAL 90 N -1.19 2.01 0.30 4.00 1.01 -1.00 0.15 120.40 125.68 2kbs s VAL 90 Ca 0.22 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2kbs s VAL 90 Cb -0.11 -1.99 -0.13 0.00 0.00 0.00 0.00 36.38 34.14 2kbs s VAL 90 CO 0.14 0.24 1.34 0.00 0.00 0.00 0.00 175.10 176.82 2kbs n ALA 91 N 4.56 1.25 0.00 5.51 0.00 -1.26 -1.46 120.51 129.11 2kbs n ALA 91 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 91 Cb 0.46 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 0.98 0.00 0.29 0.00 0.00 -1.26 -4.84 120.51 115.68 2kbs n ALA 92 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.70 2kbs n ALA 92 Cb 0.34 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.74 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 1.40 0.00 0.00 0.00 -1.42 -2.78 119.26 116.46 2kbs h ALA 93 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2kbs h ALA 93 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2kbs h ALA 93 CO 0.00 -0.22 -1.30 0.41 0.00 0.00 0.00 179.25 178.13 2kbs n GLY 94 N -1.24 -0.20 0.35 0.00 0.00 0.63 -4.66 105.19 100.06 2kbs n GLY 94 Ca -0.01 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.52 -0.41 1.61 3.08 0.12 -1.99 114.38 117.32 2kbs h ARG 95 Ca -0.12 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 59.98 2kbs h ARG 95 Cb 1.26 -0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.12 2kbs h ARG 95 CO 0.00 0.35 -0.10 1.49 -1.07 0.00 0.00 179.97 180.64 2kbs h GLU 96 N 0.54 0.00 -0.29 0.04 4.57 -1.77 -0.73 114.58 116.94 2kbs h GLU 96 Ca 0.28 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.28 2kbs h GLU 96 Cb 0.41 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2kbs h GLU 96 CO -0.09 0.00 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.12 2kbs h LEU 97 N 0.00 0.98 -1.22 1.64 3.38 -1.72 -3.16 115.31 115.22 2kbs h LEU 97 Ca 0.20 -0.54 0.14 0.00 0.09 0.00 0.00 57.88 57.77 2kbs h LEU 97 Cb 0.30 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 2kbs h LEU 97 CO -0.42 1.33 0.59 -0.26 0.09 0.00 0.00 178.44 179.78 2kbs h PHE 98 N 0.67 0.89 -3.61 1.13 0.04 -0.66 -3.25 116.94 112.15 2kbs h PHE 98 Ca 0.01 0.03 -0.75 0.00 2.80 0.00 0.00 57.97 60.06 2kbs h PHE 98 Cb 1.16 -0.28 -0.31 0.00 2.20 0.00 0.00 35.95 38.72 2kbs h PHE 98 CO 0.07 0.32 -0.03 0.00 -0.60 0.00 0.00 178.31 178.08 2kbs s MET 99 N -5.74 3.32 0.00 1.51 0.23 -0.35 -5.09 119.30 113.18 2kbs s MET 99 Ca -0.10 -2.76 0.13 0.00 -1.03 0.00 0.00 55.69 51.93 2kbs s MET 99 Cb 0.22 -4.15 0.77 0.00 -1.53 0.00 0.00 34.83 30.14 2kbs s MET 99 CO 0.79 -1.24 1.19 -2.37 -2.03 0.00 0.00 175.02 171.36