#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 4.15 0.12 1.97 2.02 -1.26 -3.88 118.70 121.82 2kbs s GLU 10 Ca 0.00 2.52 0.08 0.00 0.02 0.00 0.00 54.97 57.59 2kbs s GLU 10 Cb 0.00 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 2kbs s GLU 10 CO 0.00 -0.77 -0.14 0.21 0.02 0.00 0.00 175.26 174.58 2kbs s LYS 11 N 2.08 1.95 0.06 1.61 2.20 -0.14 -4.98 119.74 122.52 2kbs s LYS 11 Ca 0.77 -1.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.29 2kbs s LYS 11 Cb -0.46 -2.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 2kbs s LYS 11 CO 0.34 0.49 0.02 0.15 -0.36 0.00 0.00 175.35 175.98 2kbs s LYS 12 N -2.22 2.70 -0.08 4.03 1.02 -1.26 -0.76 119.74 123.17 2kbs s LYS 12 Ca 0.20 -0.73 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 2kbs s LYS 12 Cb -0.11 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2kbs s LYS 12 CO 0.12 0.58 0.26 0.08 -0.92 0.00 0.00 175.35 175.46 2kbs s VAL 13 N -1.25 0.01 -0.16 3.17 1.01 -0.01 -4.85 120.40 118.32 2kbs s VAL 13 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2kbs s VAL 13 Cb -0.12 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.90 2kbs s VAL 13 CO 0.16 -0.06 -0.10 0.12 0.00 0.00 0.00 175.10 175.22 2kbs s PHE 14 N -0.12 2.03 -0.29 5.22 5.36 -1.26 0.40 117.98 129.32 2kbs s PHE 14 Ca -0.02 -1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 54.66 2kbs s PHE 14 Cb -0.03 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.16 2kbs s PHE 14 CO 0.01 -0.65 0.08 0.42 -1.46 0.00 0.00 175.22 173.62 2kbs s ILE 15 N 1.53 4.06 -0.04 3.12 -1.09 -0.86 -4.90 121.20 123.01 2kbs s ILE 15 Ca 0.03 -0.58 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 2kbs s ILE 15 Cb -0.14 -3.05 0.02 0.00 -1.58 0.00 0.00 42.46 37.71 2kbs s ILE 15 CO -0.09 0.13 -0.05 -0.94 -1.23 0.00 0.00 174.94 172.76 2kbs s SER 16 N 1.53 0.86 0.68 3.58 1.04 -1.26 -1.35 113.70 118.78 2kbs s SER 16 Ca 0.04 -0.12 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 2kbs s SER 16 Cb -0.17 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.59 2kbs s SER 16 CO 0.03 -0.03 1.16 -0.22 0.98 0.00 0.00 173.24 175.16 2kbs s LEU 17 N 0.73 3.41 -0.45 2.42 2.96 -1.26 -4.97 118.68 121.51 2kbs s LEU 17 Ca -0.10 2.21 0.08 0.00 -0.22 0.00 0.00 54.13 56.11 2kbs s LEU 17 Cb -0.13 -4.57 0.39 0.00 0.50 0.00 0.00 46.19 42.38 2kbs s LEU 17 CO 0.00 -1.88 0.98 1.33 -1.32 0.00 0.00 176.35 175.46 2kbs n VAL 18 N -2.40 2.00 0.00 1.68 0.24 -1.26 -5.00 118.33 113.59 2kbs n VAL 18 Ca 0.12 -4.76 0.00 0.00 -2.04 0.00 0.00 64.34 57.66 2kbs n VAL 18 Cb 0.51 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2kbs n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kbs n GLY 19 N -0.23 1.08 2.57 7.63 0.00 -1.26 -4.54 105.19 110.44 2kbs n GLY 19 Ca 0.29 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2kbs n GLY 19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kbs n SER 20 N 3.83 4.22 -2.46 1.61 7.64 -1.26 -5.03 113.62 122.17 2kbs n SER 20 Ca 0.00 -3.50 -0.09 0.00 1.01 0.00 0.00 58.87 56.29 2kbs n SER 20 Cb 0.00 -0.71 -0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2kbs n SER 20 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kbs n ARG 21 N 0.65 0.68 0.00 1.43 1.74 -1.26 -5.19 116.66 114.71 2kbs n ARG 21 Ca 0.30 -1.96 0.00 0.00 -0.77 0.00 0.00 57.85 55.43 2kbs n ARG 21 Cb 0.40 2.10 0.00 0.00 -1.02 0.00 0.00 32.46 33.93 2kbs n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kbs n GLY 22 N -0.43 4.75 0.09 -0.13 0.00 -1.26 -4.70 105.19 103.51 2kbs n GLY 22 Ca -0.03 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 0.59 -3.43 0.99 7.94 -1.26 -3.05 117.00 118.78 2kbs n LEU 23 Ca 0.00 0.28 -0.17 0.00 -1.11 0.00 0.00 56.01 55.01 2kbs n LEU 23 Cb 0.00 0.26 0.09 0.00 0.53 0.00 0.00 43.42 44.30 2kbs n LEU 23 CO 0.00 0.39 0.11 0.61 -1.11 0.00 0.00 177.39 177.39 2kbs n GLY 24 N 1.59 -0.38 3.45 -3.96 0.00 -1.26 -0.96 105.19 103.68 2kbs n GLY 24 Ca -0.21 0.11 -0.16 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 -1.65 4.36 0.00 0.00 0.01 -1.13 -5.00 113.70 110.29 2kbs s SER 26 Ca -0.08 -1.26 0.02 0.00 1.31 0.00 0.00 55.95 55.94 2kbs s SER 26 Cb -0.01 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2kbs s SER 26 CO 0.03 -0.72 -0.06 0.27 0.41 0.00 0.00 173.24 173.17 2kbs s ILE 27 N -2.70 0.47 0.30 1.44 -4.36 -1.26 -0.06 121.20 115.03 2kbs s ILE 27 Ca 0.32 -0.34 0.10 0.00 -0.26 0.00 0.00 60.65 60.47 2kbs s ILE 27 Cb 0.03 -0.42 -0.05 0.00 1.25 0.00 0.00 42.46 43.27 2kbs s ILE 27 CO 0.18 0.07 -0.09 -0.94 0.24 0.00 0.00 174.94 174.40 2kbs s SER 28 N -0.30 3.99 -0.04 4.36 1.04 -0.60 -4.76 113.70 117.39 2kbs s SER 28 Ca 0.01 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 2kbs s SER 28 Cb -0.03 -0.50 -0.04 0.00 0.10 0.00 0.00 66.02 65.55 2kbs s SER 28 CO -0.00 -0.05 0.05 -0.94 0.98 0.00 0.00 173.24 173.27 2kbs s SER 29 N -3.61 5.49 0.55 7.02 1.04 -1.26 0.06 113.70 122.99 2kbs s SER 29 Ca 0.32 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.89 2kbs s SER 29 Cb -0.04 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.54 2kbs s SER 29 CO 0.17 0.32 0.79 -0.83 0.98 0.00 0.00 173.24 174.68 2kbs s GLY 30 N -1.34 1.71 0.00 7.32 0.00 -1.17 -4.96 107.32 108.87 2kbs s GLY 30 Ca 0.18 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2kbs s GLY 30 CO 0.08 -0.86 0.00 -1.55 0.00 0.00 0.00 173.10 170.78 2kbs n PRO 31 N -2.37 0.36 0.22 2.90 -0.04 -1.26 -4.40 135.00 130.42 2kbs n PRO 31 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2kbs n PRO 31 Cb 0.59 0.00 0.51 0.00 -0.04 0.00 0.00 33.50 34.56 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 -0.63 0.99 0.00 0.52 5.03 -1.99 0.68 117.51 122.11 2kbs h ILE 32 Ca 0.00 -0.86 -0.06 0.00 -0.12 0.00 0.00 64.86 63.82 2kbs h ILE 32 Cb 0.00 1.49 -0.01 0.00 -3.03 0.00 0.00 36.82 35.27 2kbs h ILE 32 CO 0.00 0.23 -0.28 1.56 -0.68 0.00 0.00 178.15 178.98 2kbs h GLN 33 N 0.00 0.00 -0.35 2.37 1.08 -2.05 -3.37 115.11 112.79 2kbs h GLN 33 Ca -0.00 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 56.92 2kbs h GLN 33 Cb 0.47 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.71 2kbs h GLN 33 CO 0.03 0.28 -0.59 1.63 -0.95 0.00 0.00 178.83 179.23 2kbs n LYS 34 N -3.73 0.84 -2.14 1.46 5.02 -0.87 -5.11 118.16 113.62 2kbs n LYS 34 Ca -0.01 -2.05 -0.43 0.00 -2.02 0.00 0.00 58.31 53.80 2kbs n LYS 34 Cb 0.39 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 2kbs n LYS 34 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kbs s PRO 35 N 0.19 3.56 0.00 1.97 0.02 0.18 -4.00 135.00 136.93 2kbs s PRO 35 Ca 0.30 1.37 -0.02 0.00 0.02 0.00 0.00 61.00 62.67 2kbs s PRO 35 Cb 0.24 -4.09 0.01 0.00 0.02 0.00 0.00 34.50 30.68 2kbs s PRO 35 CO -0.17 -1.58 0.09 0.41 -0.33 0.00 0.00 177.00 175.42 2kbs n GLY 36 N 5.06 0.87 3.59 0.52 0.00 -1.26 -4.71 105.19 109.26 2kbs n GLY 36 Ca 0.20 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.31 5.12 0.48 -0.61 -1.09 -1.26 -3.06 121.20 118.48 2kbs s ILE 37 Ca 0.02 0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.99 2kbs s ILE 37 Cb -0.00 -3.80 -0.00 0.00 -1.58 0.00 0.00 42.46 37.08 2kbs s ILE 37 CO 0.00 0.02 0.31 -0.36 -1.23 0.00 0.00 174.94 173.68 2kbs s PHE 38 N 2.17 2.11 -0.11 3.97 0.40 0.11 -1.51 117.98 125.12 2kbs s PHE 38 Ca 0.16 -0.72 -0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2kbs s PHE 38 Cb -0.16 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2kbs s PHE 38 CO 0.11 -0.18 -0.01 0.42 0.70 0.00 0.00 175.22 176.26 2kbs s ILE 39 N -2.68 4.16 0.00 0.64 -1.09 -0.56 -1.56 121.20 120.11 2kbs s ILE 39 Ca 0.36 -0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 2kbs s ILE 39 Cb -0.00 -2.77 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2kbs s ILE 39 CO 0.21 0.56 0.00 -1.20 -1.23 0.00 0.00 174.94 173.29 2kbs n SER 40 N 2.64 0.61 -4.54 3.58 7.64 0.92 -3.22 113.62 121.26 2kbs n SER 40 Ca -0.18 -0.95 -0.45 0.00 1.01 0.00 0.00 58.87 58.30 2kbs n SER 40 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 -0.66 0.75 -4.24 1.43 -0.00 -1.26 -3.95 115.22 107.30 2kbs n HIS 41 Ca 0.00 0.77 -0.30 0.00 0.46 0.00 0.00 57.72 58.65 2kbs n HIS 41 Cb 0.00 -2.17 -0.09 0.00 -0.12 0.00 0.00 29.99 27.61 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 -1.06 3.68 -0.09 3.57 1.01 -1.26 -2.82 120.40 123.43 2kbs s VAL 42 Ca 0.60 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2kbs s VAL 42 Cb -0.76 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2kbs s VAL 42 CO 0.59 0.17 -0.02 -0.54 0.00 0.00 0.00 175.10 175.30 2kbs s LYS 43 N -2.08 3.01 1.28 2.72 1.02 0.11 -4.99 119.74 120.80 2kbs s LYS 43 Ca 0.22 -0.45 -0.17 0.00 0.02 0.00 0.00 55.97 55.59 2kbs s LYS 43 Cb -0.11 -2.76 0.32 0.00 -0.52 0.00 0.00 37.83 34.76 2kbs s LYS 43 CO 0.14 0.64 0.99 -2.14 -0.92 0.00 0.00 175.35 174.06 2kbs s PRO 44 N -0.72 -1.79 -1.16 -1.68 0.02 -1.26 -3.48 135.00 124.93 2kbs s PRO 44 Ca 0.11 0.54 0.00 0.00 0.02 0.00 0.00 61.00 61.68 2kbs s PRO 44 Cb -0.12 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 32.93 2kbs s PRO 44 CO 0.02 -4.23 0.00 0.41 -0.33 0.00 0.00 177.00 172.88 2kbs n GLY 45 N 1.03 -0.12 3.53 0.52 0.00 -1.26 -4.94 105.19 103.96 2kbs n GLY 45 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2kbs n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kbs s SER 46 N -2.04 3.46 0.27 1.61 0.01 -1.23 -4.94 113.70 110.84 2kbs s SER 46 Ca 0.00 -1.24 0.01 0.00 1.31 0.00 0.00 55.95 56.02 2kbs s SER 46 Cb 0.00 -0.30 0.38 0.00 0.21 0.00 0.00 66.02 66.31 2kbs s SER 46 CO 0.00 -0.31 1.74 -0.07 0.41 0.00 0.00 173.24 175.01 2kbs h LEU 47 N 2.04 0.60 -0.94 2.44 3.38 -1.44 -2.67 115.31 118.71 2kbs h LEU 47 Ca -0.42 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 57.52 2kbs h LEU 47 Cb 1.24 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 2kbs h LEU 47 CO 0.72 0.77 0.56 0.77 0.09 0.00 0.00 178.44 181.34 2kbs h SER 48 N 0.56 0.76 -0.17 -0.43 4.64 -1.33 0.89 113.55 118.47 2kbs h SER 48 Ca 0.10 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.27 2kbs h SER 48 Cb 0.57 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 2kbs h SER 48 CO 0.04 0.35 -0.74 0.00 -0.87 0.00 0.00 176.83 175.61 2kbs h ALA 49 N 1.56 0.34 -0.49 5.18 0.00 -1.73 0.74 119.26 124.87 2kbs h ALA 49 Ca 0.50 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kbs h ALA 49 Cb 0.63 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2kbs h ALA 49 CO -0.32 0.68 0.29 0.93 0.00 0.00 0.00 179.25 180.84 2kbs h GLU 50 N 0.57 0.66 0.02 0.00 4.39 -0.83 -2.24 114.58 117.15 2kbs h GLU 50 Ca -0.04 -0.05 -0.24 0.00 0.34 0.00 0.00 59.36 59.37 2kbs h GLU 50 Cb 1.36 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 2kbs h GLU 50 CO 0.15 0.47 -1.21 -0.39 -1.16 0.00 0.00 179.01 176.87 2kbs h VAL 51 N 0.68 1.48 0.00 3.13 -1.51 -0.84 -3.48 116.25 115.70 2kbs h VAL 51 Ca 0.18 -3.20 0.00 0.00 -1.23 0.00 0.00 66.70 62.45 2kbs h VAL 51 Cb -0.02 2.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2kbs h VAL 51 CO -0.03 0.86 0.00 0.61 -1.23 0.00 0.00 177.57 177.77 2kbs n GLY 52 N 1.43 0.96 3.94 5.19 0.00 -0.48 -5.01 105.19 111.23 2kbs n GLY 52 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 3.46 -0.12 0.99 1.43 0.25 -5.00 118.68 119.69 2kbs s LEU 53 Ca 0.00 0.47 -0.33 0.00 -1.03 0.00 0.00 54.13 53.23 2kbs s LEU 53 Cb 0.00 -3.33 0.15 0.00 0.03 0.00 0.00 46.19 43.04 2kbs s LEU 53 CO 0.00 -0.87 1.40 -0.70 0.23 0.00 0.00 176.35 176.42 2kbs s GLU 54 N -4.75 0.09 0.23 1.70 2.12 -1.26 -4.70 118.70 112.13 2kbs s GLU 54 Ca 0.51 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 2kbs s GLU 54 Cb -0.10 0.03 -0.10 0.00 0.26 0.00 0.00 34.13 34.22 2kbs s GLU 54 CO 0.41 -0.04 1.47 0.42 -0.54 0.00 0.00 175.26 176.98 2kbs s ILE 55 N -2.10 2.65 0.00 -3.70 1.01 -1.25 -2.90 121.20 114.90 2kbs s ILE 55 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2kbs s ILE 55 Cb 0.06 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2kbs s ILE 55 CO -0.06 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2kbs n GLY 56 N 2.57 2.34 3.73 6.18 0.00 -1.20 -4.87 105.19 113.94 2kbs n GLY 56 Ca 0.08 0.00 -0.29 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 -1.71 3.09 -0.19 1.61 1.01 -1.14 0.15 116.67 119.48 2kbs s ASP 57 Ca 0.00 1.13 -0.04 0.00 0.71 0.00 0.00 52.55 54.35 2kbs s ASP 57 Cb 0.00 -1.77 0.09 0.00 1.01 0.00 0.00 42.92 42.25 2kbs s ASP 57 CO 0.00 -2.83 0.31 -1.58 0.21 0.00 0.00 175.17 171.28 2kbs s GLN 58 N -5.09 0.24 -0.16 8.23 -0.44 -1.20 -1.49 119.66 119.75 2kbs s GLN 58 Ca 0.64 0.62 -0.29 0.00 -2.50 0.00 0.00 55.36 53.83 2kbs s GLN 58 Cb -0.17 -0.36 -0.04 0.00 -1.64 0.00 0.00 33.01 30.81 2kbs s GLN 58 CO 0.56 -0.46 1.61 0.42 0.50 0.00 0.00 175.29 177.92 2kbs s ILE 59 N 2.46 3.69 -2.06 -2.34 1.01 -0.57 -2.11 121.20 121.29 2kbs s ILE 59 Ca 0.05 0.80 0.19 0.00 0.00 0.00 0.00 60.65 61.69 2kbs s ILE 59 Cb -0.14 -3.63 0.29 0.00 0.01 0.00 0.00 42.46 38.99 2kbs s ILE 59 CO -0.12 -0.20 1.23 1.33 0.00 0.00 0.00 174.94 177.18 2kbs n VAL 60 N 6.04 0.39 -3.62 2.92 0.24 0.26 -4.48 118.33 120.07 2kbs n VAL 60 Ca 0.18 -0.69 -0.04 0.00 -2.04 0.00 0.00 64.34 61.75 2kbs n VAL 60 Cb 0.44 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.82 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 -1.35 0.20 -0.28 7.34 2.12 -0.59 -2.24 118.70 123.90 2kbs s GLU 61 Ca 0.29 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.64 2kbs s GLU 61 Cb 0.18 0.09 0.15 0.00 0.26 0.00 0.00 34.13 34.81 2kbs s GLU 61 CO 0.25 -0.07 0.40 0.08 -0.54 0.00 0.00 175.26 175.38 2kbs s VAL 62 N -1.38 -0.63 -1.42 3.70 1.01 0.71 -0.13 120.40 122.27 2kbs s VAL 62 Ca 0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 2kbs s VAL 62 Cb -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2kbs s VAL 62 CO -0.05 -0.25 0.90 -3.20 0.00 0.00 0.00 175.10 172.50 2kbs n ASN 63 N 5.36 -6.18 0.00 3.32 2.85 0.29 -1.87 115.26 119.02 2kbs n ASN 63 Ca -0.00 -0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.05 2kbs n ASN 63 Cb 0.49 -4.89 0.00 0.00 1.24 0.00 0.00 39.78 36.62 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 -1.76 2.90 3.63 8.20 0.00 -1.26 -5.01 105.19 111.88 2kbs n GLY 64 Ca -0.05 -0.14 -0.43 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 -2.21 3.75 0.05 1.61 1.01 -0.78 -4.95 120.40 118.87 2kbs s VAL 65 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 2kbs s VAL 65 Cb 0.00 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2kbs s VAL 65 CO 0.00 -0.33 1.66 -1.81 0.00 0.00 0.00 175.10 174.61 2kbs s ASP 66 N 4.11 6.62 -0.23 3.32 1.11 -1.26 -0.21 116.67 130.13 2kbs s ASP 66 Ca 0.70 2.44 0.10 0.00 0.18 0.00 0.00 52.55 55.97 2kbs s ASP 66 Cb -0.24 -2.56 0.64 0.00 1.07 0.00 0.00 42.92 41.84 2kbs s ASP 66 CO 0.29 -0.89 1.56 0.49 1.18 0.00 0.00 175.17 177.79 2kbs n PHE 67 N 5.88 1.85 0.02 4.23 3.01 -0.95 -4.23 117.46 127.27 2kbs n PHE 67 Ca 0.16 -0.78 -0.14 0.00 1.01 0.00 0.00 57.45 57.70 2kbs n PHE 67 Cb 0.41 -0.51 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 2kbs n PHE 67 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2kbs h SER 68 N 2.78 0.72 0.00 4.37 0.87 -1.81 -3.34 113.55 117.15 2kbs h SER 68 Ca 0.10 -0.49 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 2kbs h SER 68 Cb 1.86 -0.21 -0.15 0.00 -0.44 0.00 0.00 62.40 63.45 2kbs h SER 68 CO 0.50 1.26 -0.68 -0.46 -0.53 0.00 0.00 176.83 176.92 2kbs n ASN 69 N -3.88 1.38 -4.82 6.23 6.94 -1.26 -4.67 115.26 115.18 2kbs n ASN 69 Ca -0.06 -3.01 -0.34 0.00 -0.02 0.00 0.00 54.58 51.15 2kbs n ASN 69 Cb 0.74 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.77 4.12 0.56 -4.53 2.96 -1.25 -5.06 118.68 113.71 2kbs s LEU 70 Ca 0.34 1.55 -0.12 0.00 -0.22 0.00 0.00 54.13 55.68 2kbs s LEU 70 Cb 0.35 -4.14 -0.05 0.00 0.50 0.00 0.00 46.19 42.85 2kbs s LEU 70 CO -0.10 -0.19 0.98 -0.62 -1.32 0.00 0.00 176.35 175.10 2kbs s ASP 71 N -2.01 6.37 0.10 3.68 -1.08 -1.26 -4.52 116.67 117.94 2kbs s ASP 71 Ca 0.54 1.40 -0.27 0.00 -0.52 0.00 0.00 52.55 53.71 2kbs s ASP 71 Cb -0.12 -2.45 -0.11 0.00 -1.46 0.00 0.00 42.92 38.77 2kbs s ASP 71 CO 0.18 -0.73 1.66 -0.74 0.52 0.00 0.00 175.17 176.06 2kbs h HIS 72 N 0.19 -0.52 -0.89 -5.34 6.17 -1.97 -0.74 115.15 112.05 2kbs h HIS 72 Ca -0.45 0.00 0.04 0.00 0.71 0.00 0.00 60.37 60.67 2kbs h HIS 72 Cb 1.19 0.21 -0.05 0.00 2.52 0.00 0.00 27.41 31.27 2kbs h HIS 72 CO 0.64 -0.29 0.58 1.57 0.71 0.00 0.00 177.93 181.14 2kbs h LYS 73 N -0.42 1.06 -0.52 5.26 2.10 -1.99 -2.07 116.57 119.99 2kbs h LYS 73 Ca 0.01 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 2kbs h LYS 73 Cb 0.40 -0.24 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2kbs h LYS 73 CO -0.06 0.70 0.26 0.93 -2.00 0.00 0.00 179.45 179.28 2kbs h GLU 74 N 1.09 0.73 -0.45 0.07 3.07 -1.82 0.23 114.58 117.50 2kbs h GLU 74 Ca 0.36 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2kbs h GLU 74 Cb 0.06 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 2kbs h GLU 74 CO -0.11 0.59 0.29 0.00 -1.40 0.00 0.00 179.01 178.38 2kbs h ALA 75 N 1.10 0.57 -0.31 3.43 0.00 -0.49 -1.10 119.26 122.47 2kbs h ALA 75 Ca 0.18 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2kbs h ALA 75 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kbs h ALA 75 CO -0.02 -0.01 -0.25 0.28 0.00 0.00 0.00 179.25 179.25 2kbs h VAL 76 N 0.58 1.30 0.53 0.00 2.07 -1.20 -2.08 116.25 117.45 2kbs h VAL 76 Ca 0.17 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 2kbs h VAL 76 Cb -0.04 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2kbs h VAL 76 CO -0.06 0.45 -0.46 -1.13 0.02 0.00 0.00 177.57 176.40 2kbs h ASN 77 N 0.47 -1.23 -0.96 0.57 -1.24 -0.29 0.59 115.58 113.49 2kbs h ASN 77 Ca 0.06 0.09 0.04 0.00 0.71 0.00 0.00 56.30 57.20 2kbs h ASN 77 Cb 0.81 0.40 -0.06 0.00 0.73 0.00 0.00 38.32 40.20 2kbs h ASN 77 CO 0.06 -0.64 0.63 -0.37 -1.29 0.00 0.00 177.43 175.82 2kbs h VAL 78 N -0.97 1.16 0.00 2.57 -1.51 -1.28 0.45 116.25 116.66 2kbs h VAL 78 Ca -0.06 -0.41 -0.09 0.00 -1.23 0.00 0.00 66.70 64.91 2kbs h VAL 78 Cb 0.84 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.83 2kbs h VAL 78 CO -0.03 0.22 -0.41 -0.07 -1.23 0.00 0.00 177.57 176.06 2kbs h LEU 79 N 1.21 0.00 0.07 4.19 -0.00 -1.05 -2.37 115.31 117.36 2kbs h LEU 79 Ca 0.38 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 58.00 2kbs h LEU 79 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 2kbs h LEU 79 CO -0.13 0.41 -1.32 0.11 -0.00 0.00 0.00 178.44 177.51 2kbs h LYS 80 N 0.00 0.15 0.63 1.13 6.56 0.14 -3.38 116.57 121.81 2kbs h LYS 80 Ca -0.00 -0.26 -0.03 0.00 -1.06 0.00 0.00 60.65 59.29 2kbs h LYS 80 Cb 0.74 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.50 2kbs h LYS 80 CO 0.05 1.04 -0.30 1.03 -2.06 0.00 0.00 179.45 179.21 2kbs h SER 81 N 0.04 -0.72 -3.42 0.86 0.87 0.02 -3.43 113.55 107.78 2kbs h SER 81 Ca -0.15 0.02 -0.60 0.00 -1.23 0.00 0.00 61.79 59.84 2kbs h SER 81 Cb 1.93 0.19 -0.11 0.00 -0.44 0.00 0.00 62.40 63.97 2kbs h SER 81 CO 0.15 -0.37 -0.28 -0.44 -0.53 0.00 0.00 176.83 175.36 2kbs s SER 82 N -4.28 6.41 -0.05 6.23 0.01 -0.91 -4.98 113.70 116.13 2kbs s SER 82 Ca -0.12 0.48 -0.23 0.00 1.31 0.00 0.00 55.95 57.38 2kbs s SER 82 Cb 0.01 -2.20 -0.27 0.00 0.21 0.00 0.00 66.02 63.77 2kbs s SER 82 CO 0.37 0.01 0.95 0.03 0.41 0.00 0.00 173.24 175.01 2kbs h ARG 83 N 7.11 0.26 -3.89 12.44 -0.00 -1.83 -3.41 114.38 125.06 2kbs h ARG 83 Ca -0.38 -0.36 -0.78 0.00 -0.50 0.00 0.00 59.98 57.96 2kbs h ARG 83 Cb 1.16 0.12 -0.26 0.00 0.00 0.00 0.00 29.97 31.00 2kbs h ARG 83 CO 0.73 1.11 0.01 0.45 0.00 0.00 0.00 179.97 182.27 2kbs s SER 84 N -6.68 6.58 0.02 7.04 0.15 -1.25 -4.01 113.70 115.55 2kbs s SER 84 Ca -0.15 -2.48 0.04 0.00 0.70 0.00 0.00 55.95 54.05 2kbs s SER 84 Cb 0.01 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2kbs s SER 84 CO 0.79 -0.63 -0.11 -1.48 1.20 0.00 0.00 173.24 173.01 2kbs s LEU 85 N 0.49 2.13 -0.31 3.45 0.05 -0.46 -4.96 118.68 119.07 2kbs s LEU 85 Ca 0.14 -0.36 -0.21 0.00 0.05 0.00 0.00 54.13 53.75 2kbs s LEU 85 Cb -0.15 -0.47 -0.01 0.00 -2.05 0.00 0.00 46.19 43.51 2kbs s LEU 85 CO -0.06 0.02 0.67 -0.89 -0.55 0.00 0.00 176.35 175.54 2kbs s THR 86 N -0.70 4.89 -0.16 5.48 2.01 -1.26 -2.04 115.64 123.87 2kbs s THR 86 Ca 0.00 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 2kbs s THR 86 Cb -0.07 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 2kbs s THR 86 CO 0.01 -0.19 -0.09 0.27 -0.69 0.00 0.00 174.62 173.92 2kbs s ILE 87 N 2.71 3.27 -0.32 1.82 -4.36 0.16 0.10 121.20 124.59 2kbs s ILE 87 Ca 0.27 -0.57 -0.17 0.00 -0.26 0.00 0.00 60.65 59.92 2kbs s ILE 87 Cb -0.15 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.13 2kbs s ILE 87 CO 0.12 0.50 0.45 -0.55 0.24 0.00 0.00 174.94 175.70 2kbs s SER 88 N 0.63 6.29 0.02 4.36 0.15 0.81 -0.83 113.70 125.14 2kbs s SER 88 Ca -0.05 0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.73 2kbs s SER 88 Cb -0.15 -2.24 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2kbs s SER 88 CO 0.03 -0.37 -0.22 -0.51 1.20 0.00 0.00 173.24 173.37 2kbs s ILE 89 N 2.24 1.72 -0.14 6.45 -1.16 0.06 0.92 121.20 131.30 2kbs s ILE 89 Ca 0.17 -1.09 -0.03 0.00 -0.51 0.00 0.00 60.65 59.19 2kbs s ILE 89 Cb -0.16 -1.47 -0.03 0.00 0.61 0.00 0.00 42.46 41.42 2kbs s ILE 89 CO 0.12 0.34 -0.05 -0.69 -2.81 0.00 0.00 174.94 171.85 2kbs s VAL 90 N -0.67 3.78 0.24 4.00 1.01 -0.90 -0.96 120.40 126.91 2kbs s VAL 90 Ca 0.08 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2kbs s VAL 90 Cb -0.09 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 2kbs s VAL 90 CO 0.01 0.52 1.28 0.00 0.00 0.00 0.00 175.10 176.90 2kbs s ALA 91 N 0.13 3.50 0.00 5.51 0.00 -1.25 -2.84 121.76 126.81 2kbs s ALA 91 Ca -0.02 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2kbs s ALA 91 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2kbs s ALA 91 CO 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 175.76 175.28 2kbs n ALA 92 N 1.98 0.00 0.30 0.00 0.00 -1.26 -4.66 120.51 116.87 2kbs n ALA 92 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.65 2kbs n ALA 92 Cb 0.43 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.77 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 1.41 0.00 0.00 0.00 -1.67 -2.44 119.26 116.56 2kbs h ALA 93 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kbs h ALA 93 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2kbs h ALA 93 CO 0.00 -0.30 -1.42 0.41 0.00 0.00 0.00 179.25 177.94 2kbs n GLY 94 N -1.24 -0.29 0.36 0.00 0.00 0.10 -4.64 105.19 99.47 2kbs n GLY 94 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 0.48 -0.55 1.61 0.11 0.18 -2.14 114.38 114.07 2kbs h ARG 95 Ca -0.17 -0.03 0.11 0.00 0.10 0.00 0.00 59.98 60.00 2kbs h ARG 95 Cb 1.37 -0.11 -0.10 0.00 1.11 0.00 0.00 29.97 32.24 2kbs h ARG 95 CO 0.01 0.32 -0.14 1.49 0.10 0.00 0.00 179.97 181.75 2kbs h GLU 96 N 0.49 0.00 0.37 0.08 4.57 -1.77 0.31 114.58 118.63 2kbs h GLU 96 Ca 0.31 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2kbs h GLU 96 Cb 0.56 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2kbs h GLU 96 CO -0.10 0.00 -0.18 -0.07 -1.18 0.00 0.00 179.01 177.49 2kbs h LEU 97 N 0.00 -0.42 -0.99 1.64 3.38 -1.71 -3.28 115.31 113.93 2kbs h LEU 97 Ca 0.26 -0.08 0.29 0.00 0.09 0.00 0.00 57.88 58.45 2kbs h LEU 97 Cb 0.40 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2kbs h LEU 97 CO -0.57 0.03 0.54 -0.26 0.09 0.00 0.00 178.44 178.27 2kbs h PHE 98 N -1.07 0.90 0.00 1.13 0.04 -1.25 -2.95 116.94 113.74 2kbs h PHE 98 Ca -0.05 0.04 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 2kbs h PHE 98 Cb 0.47 -0.24 0.02 0.00 2.20 0.00 0.00 35.95 38.41 2kbs h PHE 98 CO 0.02 -0.10 2.72 -1.33 -0.60 0.00 0.00 178.31 179.01 2kbs n MET 99 N -5.02 2.17 0.00 1.51 2.81 0.11 -5.09 117.12 113.61 2kbs n MET 99 Ca 0.29 -1.83 0.13 0.00 -1.81 0.00 0.00 57.70 54.48 2kbs n MET 99 Cb 0.88 -2.76 0.37 0.00 -0.71 0.00 0.00 33.22 30.99 2kbs n MET 99 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11