#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 0.02 1.97 2.12 -1.26 -2.91 118.70 122.88 2kbs s GLU 10 Ca 0.00 1.96 0.01 0.00 0.36 0.00 0.00 54.97 57.30 2kbs s GLU 10 Cb 0.00 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kbs s GLU 10 CO 0.00 -0.71 0.05 0.21 -0.54 0.00 0.00 175.26 174.27 2kbs s LYS 11 N 3.30 2.90 0.10 4.30 2.20 0.32 -4.94 119.74 127.93 2kbs s LYS 11 Ca 0.65 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2kbs s LYS 11 Cb -0.29 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 2kbs s LYS 11 CO 0.24 0.61 0.28 0.15 -0.36 0.00 0.00 175.35 176.28 2kbs s LYS 12 N -1.89 3.52 -0.16 4.03 1.02 -1.26 -0.13 119.74 124.86 2kbs s LYS 12 Ca 0.24 -0.28 -0.17 0.00 0.02 0.00 0.00 55.97 55.78 2kbs s LYS 12 Cb -0.12 -2.96 0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2kbs s LYS 12 CO 0.15 0.55 0.46 0.08 -0.92 0.00 0.00 175.35 175.67 2kbs s VAL 13 N -1.57 0.00 -0.10 3.17 1.01 0.26 -4.84 120.40 118.34 2kbs s VAL 13 Ca 0.38 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2kbs s VAL 13 Cb -0.13 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.61 2kbs s VAL 13 CO 0.26 -0.02 -0.09 0.72 0.00 0.00 0.00 175.10 175.97 2kbs s PHE 14 N 0.08 1.48 -0.17 5.22 -0.71 -1.26 0.66 117.98 123.27 2kbs s PHE 14 Ca -0.01 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.18 2kbs s PHE 14 Cb -0.03 -1.17 -0.02 0.00 -1.21 0.00 0.00 43.02 40.58 2kbs s PHE 14 CO 0.01 -0.43 -0.06 0.42 -1.34 0.00 0.00 175.22 173.83 2kbs s ILE 15 N 1.32 3.59 -0.05 -4.49 -1.09 -0.79 -4.84 121.20 114.85 2kbs s ILE 15 Ca -0.02 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.92 2kbs s ILE 15 Cb -0.14 -2.58 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 2kbs s ILE 15 CO -0.04 0.48 0.09 -0.44 -1.23 0.00 0.00 174.94 173.81 2kbs s SER 16 N 0.62 0.56 -0.32 3.58 0.01 -1.26 -0.97 113.70 115.92 2kbs s SER 16 Ca -0.04 0.17 -0.28 0.00 1.31 0.00 0.00 55.95 57.12 2kbs s SER 16 Cb -0.15 0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 2kbs s SER 16 CO 0.03 -0.20 1.88 -0.22 0.41 0.00 0.00 173.24 175.13 2kbs s LEU 17 N 1.77 3.48 -0.09 2.44 2.96 -1.26 -4.78 118.68 123.20 2kbs s LEU 17 Ca -0.01 1.36 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 2kbs s LEU 17 Cb -0.12 -3.45 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 2kbs s LEU 17 CO -0.04 -1.80 0.00 0.55 -1.32 0.00 0.00 176.35 173.74 2kbs n VAL 18 N 7.48 0.61 0.18 1.68 3.14 -1.26 -4.61 118.33 125.55 2kbs n VAL 18 Ca 0.24 -0.34 0.10 0.00 -2.96 0.00 0.00 64.34 61.37 2kbs n VAL 18 Cb 0.47 -0.80 0.18 0.00 -1.06 0.00 0.00 33.84 32.64 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2kbs n GLY 19 N 2.57 1.68 2.57 7.55 0.00 -1.26 -4.96 105.19 113.34 2kbs n GLY 19 Ca -0.16 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 1.18 -5.65 -0.04 1.61 2.88 -1.26 -4.84 113.62 107.49 2kbs n SER 20 Ca 0.16 -0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.60 2kbs n SER 20 Cb 0.52 -4.68 -0.07 0.00 -0.75 0.00 0.00 64.21 59.23 2kbs n SER 20 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2kbs n ARG 21 N -3.23 2.38 0.00 -1.46 -4.01 -1.26 -5.13 116.66 103.94 2kbs n ARG 21 Ca -0.20 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 2kbs n ARG 21 Cb 0.66 -1.24 0.00 0.00 -3.04 0.00 0.00 32.46 28.84 2kbs n ARG 21 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kbs n GLY 22 N 2.40 0.56 0.11 2.89 0.00 -1.26 -4.85 105.19 105.04 2kbs n GLY 22 Ca -0.14 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.57 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 0.06 -0.03 0.99 5.85 -1.96 -3.39 115.31 116.83 2kbs h LEU 23 Ca 0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 2kbs h LEU 23 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2kbs h LEU 23 CO 0.00 1.48 0.00 0.61 -0.34 0.00 0.00 178.44 180.19 2kbs n GLY 24 N 1.52 1.47 3.28 3.75 0.00 -1.26 -0.29 105.19 113.66 2kbs n GLY 24 Ca -0.29 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.62 4.40 0.32 0.00 0.01 -1.08 -4.99 113.70 109.74 2kbs s SER 26 Ca 0.01 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.06 2kbs s SER 26 Cb 0.02 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 2kbs s SER 26 CO -0.09 -0.75 0.18 0.27 0.41 0.00 0.00 173.24 173.26 2kbs s ILE 27 N -2.70 0.28 0.12 1.44 -4.36 -1.26 0.01 121.20 114.72 2kbs s ILE 27 Ca 0.32 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.63 2kbs s ILE 27 Cb 0.02 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 2kbs s ILE 27 CO 0.18 0.00 0.21 -0.55 0.24 0.00 0.00 174.94 175.02 2kbs s SER 28 N -3.40 0.11 0.05 4.36 0.15 0.06 -4.52 113.70 110.50 2kbs s SER 28 Ca 0.35 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2kbs s SER 28 Cb 0.04 0.37 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 2kbs s SER 28 CO 0.19 -0.79 0.09 -0.94 1.20 0.00 0.00 173.24 172.99 2kbs s SER 29 N -2.91 5.62 0.35 5.45 1.04 -1.26 -0.17 113.70 121.82 2kbs s SER 29 Ca 0.10 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.51 2kbs s SER 29 Cb 0.04 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 64.55 2kbs s SER 29 CO -0.06 0.21 0.68 -0.83 0.98 0.00 0.00 173.24 174.21 2kbs s GLY 30 N -2.15 1.93 0.00 7.32 0.00 0.16 -4.85 107.32 109.73 2kbs s GLY 30 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.65 2kbs s GLY 30 CO 0.19 -0.19 0.00 -1.55 0.00 0.00 0.00 173.10 171.56 2kbs n PRO 31 N -1.10 1.06 0.10 2.90 -0.04 -1.23 -4.33 135.00 132.36 2kbs n PRO 31 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2kbs n PRO 31 Cb 0.54 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.44 1.17 -0.02 0.52 2.04 -1.99 -1.80 117.51 116.99 2kbs h ILE 32 Ca 0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 2kbs h ILE 32 Cb 0.00 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2kbs h ILE 32 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.82 2kbs n GLN 33 N -3.25 1.38 -2.67 2.37 6.02 -1.26 -4.47 117.38 115.50 2kbs n GLN 33 Ca 0.00 -0.56 -0.04 0.00 -0.01 0.00 0.00 57.00 56.39 2kbs n GLN 33 Cb 0.82 -1.47 0.09 0.00 1.02 0.00 0.00 30.24 30.71 2kbs n GLN 33 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2kbs n LYS 34 N -0.31 0.18 -2.12 -1.09 4.81 -1.21 -5.13 118.16 113.29 2kbs n LYS 34 Ca 0.20 -0.77 -0.43 0.00 -0.87 0.00 0.00 58.31 56.45 2kbs n LYS 34 Cb 0.24 -0.25 -0.03 0.00 0.02 0.00 0.00 35.03 35.01 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2kbs s PRO 35 N 0.10 4.12 0.09 1.64 0.02 -0.68 -3.52 135.00 136.78 2kbs s PRO 35 Ca 0.24 1.98 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 2kbs s PRO 35 Cb 0.25 -3.94 0.04 0.00 0.02 0.00 0.00 34.50 30.87 2kbs s PRO 35 CO -0.14 -0.89 0.58 0.41 -0.33 0.00 0.00 177.00 176.63 2kbs n GLY 36 N 4.11 0.86 3.36 0.52 0.00 -1.26 -4.41 105.19 108.37 2kbs n GLY 36 Ca 0.17 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.27 4.32 0.50 -0.61 -1.09 -1.26 -0.67 121.20 120.12 2kbs s ILE 37 Ca 0.13 -0.85 0.09 0.00 -2.23 0.00 0.00 60.65 57.79 2kbs s ILE 37 Cb -0.01 -3.37 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 2kbs s ILE 37 CO 0.03 -0.15 0.65 -0.36 -1.23 0.00 0.00 174.94 173.88 2kbs s PHE 38 N 1.52 2.08 -0.09 3.97 0.08 0.76 -0.34 117.98 125.96 2kbs s PHE 38 Ca 0.02 -0.58 -0.02 0.00 0.12 0.00 0.00 56.93 56.46 2kbs s PHE 38 Cb -0.19 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2kbs s PHE 38 CO 0.05 -0.75 -0.02 0.42 -0.10 0.00 0.00 175.22 174.82 2kbs s ILE 39 N -2.53 4.14 0.00 0.64 -1.09 0.10 -0.76 121.20 121.71 2kbs s ILE 39 Ca 0.57 -0.30 0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2kbs s ILE 39 Cb -0.07 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 2kbs s ILE 39 CO 0.35 0.59 0.00 -0.24 -1.23 0.00 0.00 174.94 174.40 2kbs n SER 40 N 2.38 0.61 -4.51 3.58 2.88 0.10 -3.36 113.62 115.30 2kbs n SER 40 Ca -0.18 -0.94 -0.48 0.00 -1.33 0.00 0.00 58.87 55.93 2kbs n SER 40 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.96 2kbs n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbs n HIS 41 N -0.66 0.63 -4.17 0.66 1.44 -1.26 -4.07 115.22 107.79 2kbs n HIS 41 Ca 0.00 0.82 -0.24 0.00 -2.01 0.00 0.00 57.72 56.29 2kbs n HIS 41 Cb 0.00 -2.15 -0.06 0.00 0.12 0.00 0.00 29.99 27.91 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 -0.70 4.06 0.16 0.61 1.01 -1.26 -2.65 120.40 121.63 2kbs s VAL 42 Ca 0.67 -1.46 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2kbs s VAL 42 Cb -0.87 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2kbs s VAL 42 CO 0.56 -0.25 0.08 -0.54 0.00 0.00 0.00 175.10 174.95 2kbs s LYS 43 N -3.46 2.71 0.45 2.72 1.02 0.11 -4.99 119.74 118.32 2kbs s LYS 43 Ca 0.31 -0.95 -0.14 0.00 0.02 0.00 0.00 55.97 55.21 2kbs s LYS 43 Cb -0.08 -2.54 -0.08 0.00 -0.52 0.00 0.00 37.83 34.61 2kbs s LYS 43 CO 0.22 0.48 0.88 -1.25 -0.92 0.00 0.00 175.35 174.76 2kbs s PRO 44 N -3.00 3.90 -1.92 -1.68 0.04 -1.26 -3.93 135.00 127.15 2kbs s PRO 44 Ca 0.29 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2kbs s PRO 44 Cb -0.10 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2kbs s PRO 44 CO 0.21 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2kbs n GLY 45 N -1.34 0.26 3.04 0.56 0.00 -1.26 -4.97 105.19 101.47 2kbs n GLY 45 Ca 0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.81 2.56 -0.03 1.61 7.64 -1.25 -5.04 113.62 117.30 2kbs n SER 46 Ca -0.24 -2.58 -0.15 0.00 1.01 0.00 0.00 58.87 56.92 2kbs n SER 46 Cb 0.69 0.03 -0.09 0.00 -1.01 0.00 0.00 64.21 63.83 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 0.37 -1.13 -3.43 3.38 -0.85 -2.53 115.31 111.12 2kbs h LEU 47 Ca -0.29 -0.64 0.16 0.00 0.09 0.00 0.00 57.88 57.20 2kbs h LEU 47 Cb 1.03 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 2kbs h LEU 47 CO 0.47 0.94 0.61 0.77 0.09 0.00 0.00 178.44 181.32 2kbs h SER 48 N -0.19 0.76 -0.34 -0.43 4.64 -1.42 0.62 113.55 117.20 2kbs h SER 48 Ca -0.02 0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2kbs h SER 48 Cb 0.93 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2kbs h SER 48 CO 0.06 0.34 -0.43 0.00 -0.87 0.00 0.00 176.83 175.93 2kbs h ALA 49 N 1.60 0.56 -0.99 5.18 0.00 -1.77 0.59 119.26 124.43 2kbs h ALA 49 Ca 0.52 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2kbs h ALA 49 Cb 0.77 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2kbs h ALA 49 CO -0.29 0.68 0.66 0.93 0.00 0.00 0.00 179.25 181.23 2kbs h GLU 50 N 0.73 1.30 0.00 0.00 4.39 -0.49 -2.13 114.58 118.37 2kbs h GLU 50 Ca 0.05 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 2kbs h GLU 50 Cb 1.02 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2kbs h GLU 50 CO 0.10 0.86 -0.72 -0.39 -1.16 0.00 0.00 179.01 177.70 2kbs h VAL 51 N 1.34 1.28 0.00 3.13 -1.51 -1.06 -3.48 116.25 115.95 2kbs h VAL 51 Ca 0.37 -2.69 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 2kbs h VAL 51 Cb -0.14 2.56 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 2kbs h VAL 51 CO -0.08 0.71 0.00 0.61 -1.23 0.00 0.00 177.57 177.57 2kbs n GLY 52 N 1.14 0.64 3.92 5.19 0.00 -0.26 -4.99 105.19 110.82 2kbs n GLY 52 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 4.20 0.08 0.99 1.43 0.19 -5.00 118.68 120.58 2kbs s LEU 53 Ca 0.00 0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.29 2kbs s LEU 53 Cb 0.00 -3.23 0.08 0.00 0.03 0.00 0.00 46.19 43.07 2kbs s LEU 53 CO 0.00 -0.06 0.98 -0.70 0.23 0.00 0.00 176.35 176.80 2kbs s GLU 54 N -3.31 0.98 0.32 1.70 2.12 -1.26 -4.67 118.70 114.57 2kbs s GLU 54 Ca 0.39 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 2kbs s GLU 54 Cb -0.11 0.36 -0.11 0.00 0.26 0.00 0.00 34.13 34.54 2kbs s GLU 54 CO 0.29 -0.44 1.43 0.42 -0.54 0.00 0.00 175.26 176.42 2kbs s ILE 55 N -3.12 2.41 0.00 -3.70 1.01 -1.26 -3.40 121.20 113.14 2kbs s ILE 55 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2kbs s ILE 55 Cb -0.01 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2kbs s ILE 55 CO -0.02 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.61 2kbs n GLY 56 N 1.18 1.08 3.71 6.18 0.00 -1.21 -4.94 105.19 111.18 2kbs n GLY 56 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.90 -0.14 1.61 1.11 -1.22 -0.99 116.67 119.94 2kbs s ASP 57 Ca 0.00 -0.50 -0.04 0.00 0.18 0.00 0.00 52.55 52.19 2kbs s ASP 57 Cb 0.00 -1.05 0.05 0.00 1.07 0.00 0.00 42.92 42.99 2kbs s ASP 57 CO 0.00 -0.01 0.08 -1.58 1.18 0.00 0.00 175.17 174.84 2kbs s GLN 58 N -3.73 0.03 -0.12 8.23 -0.44 -1.21 0.00 119.66 122.42 2kbs s GLN 58 Ca 0.32 0.02 -0.29 0.00 -2.50 0.00 0.00 55.36 52.91 2kbs s GLN 58 Cb -0.07 -1.53 -0.04 0.00 -1.64 0.00 0.00 33.01 29.73 2kbs s GLN 58 CO 0.22 -0.59 1.57 0.42 0.50 0.00 0.00 175.29 177.41 2kbs s ILE 59 N 2.15 3.74 -0.93 -2.34 1.01 0.54 -1.85 121.20 123.53 2kbs s ILE 59 Ca 0.03 0.88 0.16 0.00 0.00 0.00 0.00 60.65 61.71 2kbs s ILE 59 Cb -0.15 -3.63 0.53 0.00 0.01 0.00 0.00 42.46 39.22 2kbs s ILE 59 CO -0.08 -0.14 1.44 1.33 0.00 0.00 0.00 174.94 177.49 2kbs n VAL 60 N 5.74 1.56 -3.64 2.92 0.24 0.29 -4.38 118.33 121.07 2kbs n VAL 60 Ca 0.17 -1.26 -0.04 0.00 -2.04 0.00 0.00 64.34 61.18 2kbs n VAL 60 Cb 0.44 0.21 -0.05 0.00 -1.47 0.00 0.00 33.84 32.97 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 -1.68 0.15 -0.30 7.34 2.12 -0.84 -3.77 118.70 121.72 2kbs s GLU 61 Ca 0.39 0.08 0.01 0.00 0.36 0.00 0.00 54.97 55.81 2kbs s GLU 61 Cb 0.25 0.07 0.15 0.00 0.26 0.00 0.00 34.13 34.86 2kbs s GLU 61 CO 0.19 -0.04 0.36 0.08 -0.54 0.00 0.00 175.26 175.31 2kbs s VAL 62 N -0.61 -0.50 -1.62 3.70 1.01 -0.69 -0.12 120.40 121.57 2kbs s VAL 62 Ca 0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2kbs s VAL 62 Cb -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.42 2kbs s VAL 62 CO -0.09 -0.40 0.03 -3.20 0.00 0.00 0.00 175.10 171.44 2kbs n ASN 63 N 5.19 -5.49 0.00 3.32 2.85 0.30 -1.16 115.26 120.28 2kbs n ASN 63 Ca 0.01 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 2kbs n ASN 63 Cb 0.48 -4.58 0.00 0.00 1.24 0.00 0.00 39.78 36.92 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 -0.99 2.69 3.71 8.20 0.00 -1.26 -5.03 105.19 112.50 2kbs n GLY 64 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.70 2.42 -0.39 1.61 1.01 -0.31 -4.91 120.40 117.12 2kbs s VAL 65 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 2kbs s VAL 65 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2kbs s VAL 65 CO 0.00 0.02 1.53 -1.81 0.00 0.00 0.00 175.10 174.84 2kbs s ASP 66 N 1.44 6.19 0.01 3.32 1.11 -1.26 -1.70 116.67 125.77 2kbs s ASP 66 Ca 0.73 0.96 0.22 0.00 0.18 0.00 0.00 52.55 54.64 2kbs s ASP 66 Cb -0.46 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 40.97 2kbs s ASP 66 CO 0.32 -1.53 1.01 0.49 1.18 0.00 0.00 175.17 176.64 2kbs n PHE 67 N 9.32 0.04 -0.09 4.23 3.01 -1.25 -3.80 117.46 128.93 2kbs n PHE 67 Ca 0.18 0.01 0.26 0.00 1.01 0.00 0.00 57.45 58.92 2kbs n PHE 67 Cb 0.48 -0.16 0.71 0.00 -0.01 0.00 0.00 39.48 40.50 2kbs n PHE 67 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2kbs h SER 68 N 0.00 0.00 -0.05 4.37 0.02 -1.77 -2.41 113.55 113.71 2kbs h SER 68 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2kbs h SER 68 Cb 0.57 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.78 2kbs h SER 68 CO 0.00 0.00 -0.88 0.59 -1.14 0.00 0.00 176.83 175.40 2kbs n ASN 69 N -3.93 0.59 -4.81 3.07 4.13 -1.26 -4.61 115.26 108.44 2kbs n ASN 69 Ca 0.15 -2.01 -0.37 0.00 1.68 0.00 0.00 54.58 54.04 2kbs n ASN 69 Cb 0.92 -0.17 -0.06 0.00 -1.54 0.00 0.00 39.78 38.93 2kbs n ASN 69 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kbs s LEU 70 N -0.56 4.37 0.90 3.41 2.96 -0.91 -4.99 118.68 123.86 2kbs s LEU 70 Ca 0.26 1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 55.56 2kbs s LEU 70 Cb 0.31 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 43.51 2kbs s LEU 70 CO -0.12 0.04 1.10 -0.62 -1.32 0.00 0.00 176.35 175.42 2kbs s ASP 71 N -1.59 3.33 0.04 3.68 -1.08 -1.26 -4.55 116.67 115.23 2kbs s ASP 71 Ca 0.43 1.75 -0.28 0.00 -0.52 0.00 0.00 52.55 53.94 2kbs s ASP 71 Cb -0.18 -2.38 -0.17 0.00 -1.46 0.00 0.00 42.92 38.74 2kbs s ASP 71 CO 0.22 -2.77 1.43 -0.74 0.52 0.00 0.00 175.17 173.82 2kbs h HIS 72 N -1.64 -0.51 -0.92 -5.34 6.17 -1.95 -1.92 115.15 109.04 2kbs h HIS 72 Ca -0.48 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 60.64 2kbs h HIS 72 Cb 1.27 0.17 -0.06 0.00 2.52 0.00 0.00 27.41 31.31 2kbs h HIS 72 CO 0.47 -0.23 0.59 0.87 0.71 0.00 0.00 177.93 180.34 2kbs h LYS 73 N -0.73 1.09 -0.42 5.26 1.57 -2.00 -1.16 116.57 120.17 2kbs h LYS 73 Ca -0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2kbs h LYS 73 Cb 0.52 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2kbs h LYS 73 CO 0.09 0.72 0.26 0.93 -0.57 0.00 0.00 179.45 180.88 2kbs h GLU 74 N 1.12 0.57 -0.20 3.15 3.07 -1.91 0.87 114.58 121.24 2kbs h GLU 74 Ca 0.38 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.12 2kbs h GLU 74 Cb 0.06 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2kbs h GLU 74 CO -0.14 0.39 -0.15 0.00 -1.40 0.00 0.00 179.01 177.72 2kbs h ALA 75 N 1.71 0.29 -0.44 3.43 0.00 -0.40 -2.45 119.26 121.40 2kbs h ALA 75 Ca 0.15 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2kbs h ALA 75 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kbs h ALA 75 CO -0.03 0.17 -0.22 0.28 0.00 0.00 0.00 179.25 179.45 2kbs h VAL 76 N 0.14 1.27 0.63 0.00 2.07 -0.95 -1.96 116.25 117.46 2kbs h VAL 76 Ca 0.04 -1.37 -0.03 0.00 0.82 0.00 0.00 66.70 66.16 2kbs h VAL 76 Cb 0.67 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2kbs h VAL 76 CO 0.04 0.46 -0.32 -1.13 0.02 0.00 0.00 177.57 176.64 2kbs h ASN 77 N 0.77 -0.77 -0.47 0.57 -0.73 -0.83 0.17 115.58 114.29 2kbs h ASN 77 Ca 0.10 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.32 2kbs h ASN 77 Cb 0.77 0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.54 2kbs h ASN 77 CO 0.06 -0.53 0.29 -0.37 -0.37 0.00 0.00 177.43 176.51 2kbs h VAL 78 N -0.87 1.08 -0.10 2.57 -1.51 -1.47 0.56 116.25 116.50 2kbs h VAL 78 Ca -0.08 -0.20 -0.03 0.00 -1.23 0.00 0.00 66.70 65.16 2kbs h VAL 78 Cb 0.68 0.44 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 2kbs h VAL 78 CO 0.13 0.11 -0.05 -0.07 -1.23 0.00 0.00 177.57 176.45 2kbs h LEU 79 N 0.59 0.13 0.08 4.19 -0.00 -1.25 -2.24 115.31 116.81 2kbs h LEU 79 Ca 0.18 -0.02 -0.27 0.00 -0.00 0.00 0.00 57.88 57.78 2kbs h LEU 79 Cb -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2kbs h LEU 79 CO -0.07 0.21 -1.33 0.11 -0.00 0.00 0.00 178.44 177.36 2kbs h LYS 80 N 0.14 0.16 0.82 1.13 6.56 0.30 -3.38 116.57 122.31 2kbs h LYS 80 Ca 0.03 -0.28 -0.04 0.00 -1.06 0.00 0.00 60.65 59.30 2kbs h LYS 80 Cb 0.19 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2kbs h LYS 80 CO 0.01 1.05 -0.39 1.03 -2.06 0.00 0.00 179.45 179.09 2kbs h SER 81 N 0.04 -0.93 -3.43 0.86 0.87 0.65 -3.42 113.55 108.20 2kbs h SER 81 Ca -0.16 0.03 -0.60 0.00 -1.23 0.00 0.00 61.79 59.83 2kbs h SER 81 Cb 1.94 0.24 -0.12 0.00 -0.44 0.00 0.00 62.40 64.02 2kbs h SER 81 CO 0.16 -0.63 -0.37 -0.44 -0.53 0.00 0.00 176.83 175.02 2kbs s SER 82 N -3.87 6.31 -0.05 6.23 0.01 -0.90 -4.99 113.70 116.43 2kbs s SER 82 Ca -0.16 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 2kbs s SER 82 Cb 0.02 -2.16 -0.22 0.00 0.21 0.00 0.00 66.02 63.86 2kbs s SER 82 CO 0.48 0.05 1.08 0.03 0.41 0.00 0.00 173.24 175.29 2kbs h ARG 83 N 7.12 0.09 -4.10 12.44 3.08 -1.82 -3.40 114.38 127.80 2kbs h ARG 83 Ca -0.39 -0.08 -0.76 0.00 0.07 0.00 0.00 59.98 58.82 2kbs h ARG 83 Cb 1.16 0.02 -0.24 0.00 0.08 0.00 0.00 29.97 30.99 2kbs h ARG 83 CO 0.72 0.78 0.06 0.45 -1.07 0.00 0.00 179.97 180.90 2kbs s SER 84 N -6.07 6.51 -0.00 7.04 0.15 -1.26 -4.06 113.70 116.01 2kbs s SER 84 Ca -0.16 -2.22 0.02 0.00 0.70 0.00 0.00 55.95 54.29 2kbs s SER 84 Cb 0.01 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 2kbs s SER 84 CO 0.71 -0.76 -0.07 -1.48 1.20 0.00 0.00 173.24 172.83 2kbs s LEU 85 N 1.08 2.02 -0.07 3.45 0.05 -0.15 -4.97 118.68 120.10 2kbs s LEU 85 Ca 0.14 -0.14 -0.18 0.00 0.05 0.00 0.00 54.13 54.00 2kbs s LEU 85 Cb -0.17 -0.38 -0.05 0.00 -2.05 0.00 0.00 46.19 43.54 2kbs s LEU 85 CO -0.04 0.08 0.47 -0.89 -0.55 0.00 0.00 176.35 175.43 2kbs s THR 86 N -0.20 5.11 -0.02 5.48 2.01 -1.26 -1.88 115.64 124.88 2kbs s THR 86 Ca 0.03 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.04 2kbs s THR 86 Cb -0.03 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2kbs s THR 86 CO -0.00 0.40 -0.19 0.27 -0.69 0.00 0.00 174.62 174.41 2kbs s ILE 87 N 0.09 1.52 -0.46 1.82 -0.00 0.21 0.11 121.20 124.49 2kbs s ILE 87 Ca 0.26 -0.82 -0.13 0.00 -0.00 0.00 0.00 60.65 59.96 2kbs s ILE 87 Cb -0.16 -1.26 0.08 0.00 -0.00 0.00 0.00 42.46 41.12 2kbs s ILE 87 CO 0.12 0.43 0.36 -0.55 -0.00 0.00 0.00 174.94 175.30 2kbs s SER 88 N -0.43 5.97 -0.03 4.36 0.15 0.83 -0.58 113.70 123.97 2kbs s SER 88 Ca 0.07 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.27 2kbs s SER 88 Cb -0.08 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 2kbs s SER 88 CO -0.01 -0.63 0.00 -0.51 1.20 0.00 0.00 173.24 173.30 2kbs s ILE 89 N 1.56 4.23 -0.15 6.45 -1.16 0.81 0.11 121.20 133.04 2kbs s ILE 89 Ca 0.04 -0.48 -0.03 0.00 -0.51 0.00 0.00 60.65 59.68 2kbs s ILE 89 Cb -0.24 -2.85 -0.02 0.00 0.61 0.00 0.00 42.46 39.95 2kbs s ILE 89 CO 0.05 0.45 -0.07 -0.69 -2.81 0.00 0.00 174.94 171.87 2kbs s VAL 90 N -1.02 3.57 0.19 4.00 1.01 -0.77 0.12 120.40 127.50 2kbs s VAL 90 Ca 0.18 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 2kbs s VAL 90 Cb -0.11 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 2kbs s VAL 90 CO 0.08 0.50 1.49 0.00 0.00 0.00 0.00 175.10 177.17 2kbs s ALA 91 N 0.44 3.69 0.00 5.51 0.00 -1.14 -2.44 121.76 127.82 2kbs s ALA 91 Ca -0.06 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2kbs s ALA 91 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2kbs s ALA 91 CO 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 175.76 175.06 2kbs n ALA 92 N 3.36 0.00 0.28 0.00 0.00 -1.20 -4.71 120.51 118.23 2kbs n ALA 92 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.73 2kbs n ALA 92 Cb 0.40 0.00 0.93 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 1.46 0.00 0.00 0.00 -1.69 -2.68 119.26 116.34 2kbs h ALA 93 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 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 -0.24 -1.33 0.41 0.00 0.00 0.00 179.25 178.09 2kbs n GLY 94 N -1.26 -0.23 0.36 0.00 0.00 -1.25 -4.65 105.19 98.16 2kbs n GLY 94 Ca -0.01 -0.08 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 0.07 0.00 0.00 0.00 173.32 173.39 2kbs h ARG 95 N 0.00 0.49 -0.97 1.61 0.11 -0.74 -0.47 114.38 114.41 2kbs h ARG 95 Ca -0.13 -0.03 0.14 0.00 0.10 0.00 0.00 59.98 60.06 2kbs h ARG 95 Cb 1.29 -0.11 -0.08 0.00 1.11 0.00 0.00 29.97 32.18 2kbs h ARG 95 CO 0.01 0.32 0.61 1.49 0.10 0.00 0.00 179.97 182.50 2kbs h GLU 96 N 0.50 0.82 0.18 0.08 4.57 -1.77 -0.22 114.58 118.74 2kbs h GLU 96 Ca 0.32 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 2kbs h GLU 96 Cb 0.59 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2kbs h GLU 96 CO -0.10 0.54 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.11 2kbs h LEU 97 N 0.84 -0.20 -1.95 1.64 -0.00 -1.39 -3.18 115.31 111.07 2kbs h LEU 97 Ca 0.50 -0.33 0.25 0.00 -0.00 0.00 0.00 57.88 58.30 2kbs h LEU 97 Cb 0.65 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.33 2kbs h LEU 97 CO -0.26 0.31 0.63 -0.26 -0.00 0.00 0.00 178.44 178.85 2kbs h PHE 98 N -0.81 0.05 -0.11 1.13 -1.00 -1.12 -0.50 116.94 114.58 2kbs h PHE 98 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 2kbs h PHE 98 Cb 0.52 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 2kbs h PHE 98 CO 0.07 0.01 0.07 0.52 -1.61 0.00 0.00 178.31 177.37 2kbs h MET 99 N 0.04 0.14 0.00 1.51 2.86 -1.03 -3.52 114.93 114.94 2kbs h MET 99 Ca 0.42 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2kbs h MET 99 Cb 1.63 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.25 2kbs h MET 99 CO -0.02 0.12 0.00 2.41 1.06 0.00 0.00 176.91 180.48