#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcm s LYS 2 N 0.00 2.76 0.00 0.03 1.02 -1.26 -4.06 119.74 118.23 2kcm s LYS 2 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.17 2kcm s LYS 2 Cb 0.00 -2.62 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2kcm s LYS 2 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 2kcm n GLY 3 N 0.17 3.67 3.06 -3.33 0.00 -1.25 -3.41 105.19 104.10 2kcm n GLY 3 Ca -0.09 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 2kcm n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kcm s LYS 4 N 1.97 0.83 -0.27 1.61 1.02 -0.52 -3.26 119.74 121.12 2kcm s LYS 4 Ca 0.00 -0.44 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 2kcm s LYS 4 Cb 0.00 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.52 2kcm s LYS 4 CO 0.00 0.22 0.98 0.54 -0.92 0.00 0.00 175.35 176.17 2kcm s VAL 5 N -0.38 4.66 -0.03 3.17 0.11 -1.06 0.08 120.40 126.94 2kcm s VAL 5 Ca 0.03 1.74 0.10 0.00 -2.93 0.00 0.00 61.98 60.91 2kcm s VAL 5 Cb -0.05 -4.29 -0.23 0.00 -1.53 0.00 0.00 36.38 30.27 2kcm s VAL 5 CO -0.00 -0.28 0.70 1.62 -3.33 0.00 0.00 175.10 173.81 2kcm h VAL 6 N 5.57 0.91 -2.64 2.04 3.04 -1.82 -3.26 116.25 120.09 2kcm h VAL 6 Ca -0.21 -2.74 -0.06 0.00 -1.01 0.00 0.00 66.70 62.68 2kcm h VAL 6 Cb 1.07 2.48 -0.17 0.00 -2.01 0.00 0.00 31.29 32.66 2kcm h VAL 6 CO 0.97 0.58 0.07 -0.44 -1.01 0.00 0.00 177.57 177.73 2kcm s SER 7 N -6.27 -0.48 0.00 3.17 0.01 -0.58 -4.88 113.70 104.67 2kcm s SER 7 Ca -0.06 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2kcm s SER 7 Cb 0.08 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2kcm s SER 7 CO 0.82 -0.70 0.00 0.00 0.41 0.00 0.00 173.24 173.77 2kcm n TYR 8 N 0.49 -1.32 -2.16 2.43 9.36 -1.26 -1.76 117.16 122.94 2kcm n TYR 8 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 2kcm n TYR 8 Cb 0.60 0.26 0.00 0.00 -0.63 0.00 0.00 39.34 39.57 2kcm n TYR 8 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2kcm n LEU 9 N -1.79 -5.73 0.27 2.98 4.77 -1.26 -3.78 117.00 112.45 2kcm n LEU 9 Ca 0.00 3.00 0.11 0.00 -0.03 0.00 0.00 56.01 59.09 2kcm n LEU 9 Cb 0.00 -3.08 0.74 0.00 -2.33 0.00 0.00 43.42 38.75 2kcm n LEU 9 CO 0.00 -2.10 1.03 0.00 -1.33 0.00 0.00 177.39 174.99 2kcm h ALA 10 N 4.34 1.58 -0.43 -1.18 0.00 -1.94 -1.39 119.26 120.23 2kcm h ALA 10 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2kcm h ALA 10 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kcm h ALA 10 CO 0.00 0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.45 2kcm h ALA 11 N 1.93 1.41 -0.01 0.00 0.00 -1.96 -1.63 119.26 118.99 2kcm h ALA 11 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kcm h ALA 11 Cb 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kcm h ALA 11 CO 0.01 0.43 -0.51 1.63 0.00 0.00 0.00 179.25 180.82 2kcm n LYS 12 N -4.33 0.48 -0.26 0.00 5.02 -0.61 -4.90 118.16 113.56 2kcm n LYS 12 Ca 0.03 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 2kcm n LYS 12 Cb 0.19 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kcm n LYS 13 N -0.97 0.00 -3.60 1.97 5.02 -0.62 -4.78 118.16 115.18 2kcm n LYS 13 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 2kcm n LYS 13 Cb 0.36 -3.90 -0.02 0.00 -0.02 0.00 0.00 35.03 31.45 2kcm n LYS 13 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2kcm s TYR 14 N -0.89 -0.37 0.00 2.13 -0.85 -1.25 -3.68 117.35 112.43 2kcm s TYR 14 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 2kcm s TYR 14 Cb 0.00 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.96 2kcm s TYR 14 CO 0.00 -0.96 0.00 0.41 -1.52 0.00 0.00 175.55 173.48 2kcm n GLY 15 N -0.40 2.83 3.10 5.49 0.00 -1.25 -4.54 105.19 110.42 2kcm n GLY 15 Ca -0.11 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2kcm n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kcm s PHE 16 N 1.10 0.23 -0.05 1.61 0.08 -0.72 -4.17 117.98 116.06 2kcm s PHE 16 Ca 0.00 -0.55 0.03 0.00 0.12 0.00 0.00 56.93 56.54 2kcm s PHE 16 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.29 2kcm s PHE 16 CO 0.00 -0.35 -0.15 0.42 -0.10 0.00 0.00 175.22 175.04 2kcm s ILE 17 N -2.60 1.27 -0.72 0.64 1.01 -1.15 -1.53 121.20 118.12 2kcm s ILE 17 Ca -0.05 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 2kcm s ILE 17 Cb -0.01 -1.11 0.10 0.00 0.01 0.00 0.00 42.46 41.44 2kcm s ILE 17 CO -0.05 0.37 0.94 -1.58 0.00 0.00 0.00 174.94 174.63 2kcm s GLN 18 N 0.24 3.23 0.91 2.79 0.74 0.11 -3.26 119.66 124.42 2kcm s GLN 18 Ca -0.07 -1.24 -0.11 0.00 0.05 0.00 0.00 55.36 53.99 2kcm s GLN 18 Cb -0.12 -4.42 0.14 0.00 1.10 0.00 0.00 33.01 29.70 2kcm s GLN 18 CO 0.03 -1.73 1.10 0.20 -0.55 0.00 0.00 175.29 174.34 2kcm s GLY 19 N 3.62 1.64 0.29 2.59 0.00 -1.05 -1.44 107.32 112.98 2kcm s GLY 19 Ca 0.22 0.18 0.03 0.00 0.00 0.00 0.00 44.72 45.15 2kcm s GLY 19 CO 0.04 0.65 1.77 1.29 0.00 0.00 0.00 173.10 176.84 2kcm h ASP 20 N -1.68 0.51 -0.04 1.64 2.03 -1.86 -1.52 116.42 115.49 2kcm h ASP 20 Ca -0.48 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.68 2kcm h ASP 20 Cb 1.27 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2kcm h ASP 20 CO 0.50 0.69 0.00 -0.67 -1.03 0.00 0.00 179.24 178.73 2kcm n ASP 21 N -4.18 0.59 0.00 4.15 2.03 -1.26 -4.84 116.55 113.04 2kcm n ASP 21 Ca 0.00 -1.40 0.00 0.00 0.52 0.00 0.00 54.79 53.91 2kcm n ASP 21 Cb 0.35 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kcm n GLY 22 N 0.97 0.54 3.65 0.27 0.00 -0.57 -5.02 105.19 105.03 2kcm n GLY 22 Ca 0.17 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2kcm n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kcm s GLU 23 N -0.90 4.16 0.47 1.61 2.02 -1.26 -4.77 118.70 120.03 2kcm s GLU 23 Ca 0.00 0.39 -0.20 0.00 0.02 0.00 0.00 54.97 55.18 2kcm s GLU 23 Cb 0.00 -3.58 -0.09 0.00 0.10 0.00 0.00 34.13 30.56 2kcm s GLU 23 CO 0.00 -0.20 1.01 -1.54 0.02 0.00 0.00 175.26 174.55 2kcm s SER 24 N 1.24 6.53 -0.01 -0.19 1.04 -1.26 -2.52 113.70 118.54 2kcm s SER 24 Ca 0.23 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.50 2kcm s SER 24 Cb -0.15 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2kcm s SER 24 CO 0.09 -0.65 -0.02 -0.31 0.98 0.00 0.00 173.24 173.33 2kcm s TYR 25 N -2.09 0.23 0.25 5.02 2.02 -1.20 -4.79 117.35 116.79 2kcm s TYR 25 Ca 0.65 -0.03 -0.30 0.00 -0.37 0.00 0.00 57.07 57.03 2kcm s TYR 25 Cb -0.14 -0.20 -0.09 0.00 -0.40 0.00 0.00 41.96 41.13 2kcm s TYR 25 CO 0.19 -0.03 1.00 -0.06 -1.57 0.00 0.00 175.55 175.08 2kcm s PHE 26 N 0.20 3.83 -0.22 2.71 0.08 -1.25 -2.93 117.98 120.41 2kcm s PHE 26 Ca -0.02 1.83 -0.02 0.00 0.12 0.00 0.00 56.93 58.85 2kcm s PHE 26 Cb -0.04 -3.10 0.01 0.00 -0.57 0.00 0.00 43.02 39.32 2kcm s PHE 26 CO -0.01 0.07 -0.09 -1.17 -0.10 0.00 0.00 175.22 173.93 2kcm s LEU 27 N -1.27 2.79 -0.03 -0.37 0.20 -1.26 -3.17 118.68 115.57 2kcm s LEU 27 Ca 0.42 -0.60 0.05 0.00 0.69 0.00 0.00 54.13 54.69 2kcm s LEU 27 Cb -0.28 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 2kcm s LEU 27 CO 0.35 -0.05 -0.18 -2.28 -0.29 0.00 0.00 176.35 173.91 2kcm s HIS 28 N 1.38 1.66 0.54 5.38 2.46 -1.26 -3.76 115.29 121.70 2kcm s HIS 28 Ca 0.04 -0.39 0.21 0.00 0.47 0.00 0.00 55.06 55.39 2kcm s HIS 28 Cb -0.15 -1.09 1.45 0.00 -0.13 0.00 0.00 32.58 32.66 2kcm s HIS 28 CO -0.06 -0.09 2.18 0.27 -2.47 0.00 0.00 174.74 174.57 2kcm h PHE 29 N 5.94 0.00 0.00 3.88 -5.15 -1.99 -0.10 116.94 119.53 2kcm h PHE 29 Ca -0.35 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.39 2kcm h PHE 29 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.33 2kcm h PHE 29 CO 0.41 0.00 -0.12 0.66 -2.00 0.00 0.00 178.31 177.27 2kcm h SER 30 N 0.00 0.00 0.04 -0.68 4.64 -1.95 -0.21 113.55 115.39 2kcm h SER 30 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2kcm h SER 30 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2kcm h SER 30 CO -0.00 0.12 0.00 -0.62 -0.87 0.00 0.00 176.83 175.46 2kcm n GLU 31 N -3.86 0.93 -2.90 4.77 -0.58 -0.05 -4.78 120.64 114.18 2kcm n GLU 31 Ca -0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.31 2kcm n GLU 31 Cb 0.21 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.54 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcm s LEU 32 N -2.04 4.37 0.23 -4.62 1.43 -0.09 -3.51 118.68 114.44 2kcm s LEU 32 Ca 0.45 1.44 -0.06 0.00 -1.03 0.00 0.00 54.13 54.93 2kcm s LEU 32 Cb 0.21 -3.31 0.20 0.00 0.03 0.00 0.00 46.19 43.32 2kcm s LEU 32 CO 0.36 -0.14 1.77 -0.07 0.23 0.00 0.00 176.35 178.50 2kcm h LEU 33 N 6.47 1.01 -7.15 1.79 3.38 -1.87 -3.37 115.31 115.58 2kcm h LEU 33 Ca -0.42 -0.19 -0.59 0.00 0.09 0.00 0.00 57.88 56.78 2kcm h LEU 33 Cb 1.21 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 41.29 2kcm h LEU 33 CO 0.74 0.95 -0.75 -1.81 0.09 0.00 0.00 178.44 177.65 2kcm s ASP 34 N -6.46 4.01 0.31 -0.43 1.01 -1.26 -4.96 116.67 108.89 2kcm s ASP 34 Ca -0.12 -1.76 0.07 0.00 0.71 0.00 0.00 52.55 51.45 2kcm s ASP 34 Cb 0.15 -0.90 0.36 0.00 1.01 0.00 0.00 42.92 43.54 2kcm s ASP 34 CO 0.83 -0.40 1.02 0.29 0.21 0.00 0.00 175.17 177.13 2kcm n LYS 35 N 4.68 0.05 -0.06 8.23 5.02 -1.26 0.41 118.16 135.23 2kcm n LYS 35 Ca -0.00 0.51 -0.02 0.00 -2.02 0.00 0.00 58.31 56.77 2kcm n LYS 35 Cb 0.41 -2.17 0.23 0.00 -0.02 0.00 0.00 35.03 33.48 2kcm n LYS 35 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kcm h LYS 36 N 0.00 0.67 0.00 1.97 1.57 -1.95 -1.22 116.57 117.60 2kcm h LYS 36 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2kcm h LYS 36 Cb 1.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2kcm h LYS 36 CO 0.00 0.68 0.00 -0.40 -0.57 0.00 0.00 179.45 179.16 2kcm n ASP 37 N -4.25 0.00 0.11 0.86 5.75 0.16 -2.98 116.55 116.21 2kcm n ASP 37 Ca 0.02 -0.40 0.02 0.00 -0.01 0.00 0.00 54.79 54.43 2kcm n ASP 37 Cb 0.27 -0.12 0.39 0.00 -1.03 0.00 0.00 41.12 40.62 2kcm n ASP 37 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2kcm h GLU 38 N 0.00 0.26 -0.00 0.11 4.81 -1.35 -1.37 114.58 117.04 2kcm h GLU 38 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2kcm h GLU 38 Cb 0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2kcm h GLU 38 CO 0.00 0.39 -0.22 0.41 -0.73 0.00 0.00 179.01 178.86 2kcm n GLY 39 N -0.89 -1.26 1.35 1.92 0.00 -1.16 -3.38 105.19 101.76 2kcm n GLY 39 Ca -0.00 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.87 2kcm n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kcm n LYS 40 N -1.36 3.47 -2.16 1.61 5.02 -0.53 -4.99 118.16 119.21 2kcm n LYS 40 Ca 0.08 -2.75 -0.34 0.00 -2.02 0.00 0.00 58.31 53.28 2kcm n LYS 40 Cb 0.32 -1.78 0.01 0.00 -0.02 0.00 0.00 35.03 33.56 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kcm s LEU 41 N -1.80 3.65 -0.07 -0.35 1.43 -1.12 -4.90 118.68 115.52 2kcm s LEU 41 Ca 0.46 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.67 2kcm s LEU 41 Cb 0.30 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.94 2kcm s LEU 41 CO 0.22 -1.24 -0.24 0.54 0.23 0.00 0.00 176.35 175.86 2kcm s VAL 42 N -2.01 2.01 -0.19 -1.59 0.11 -1.26 -5.12 120.40 112.35 2kcm s VAL 42 Ca 0.70 -1.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.63 2kcm s VAL 42 Cb -0.21 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 32.88 2kcm s VAL 42 CO 0.30 0.56 0.11 -0.75 -3.33 0.00 0.00 175.10 171.99 2kcm s LYS 43 N 0.05 4.07 0.00 1.54 2.20 -1.26 -4.31 119.74 122.03 2kcm s LYS 43 Ca -0.09 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 2kcm s LYS 43 Cb -0.15 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 2kcm s LYS 43 CO 0.06 0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.79 2kcm n GLY 44 N 3.40 2.91 2.91 5.54 0.00 -1.23 -5.03 105.19 113.68 2kcm n GLY 44 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 2kcm n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kcm n SER 45 N 0.00 1.12 -4.76 1.61 7.64 -1.26 -4.73 113.62 113.24 2kcm n SER 45 Ca 0.00 -1.91 -0.40 0.00 1.01 0.00 0.00 58.87 57.57 2kcm n SER 45 Cb 0.00 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 2kcm n SER 45 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2kcm s MET 46 N -4.33 4.69 -0.06 1.43 -1.94 -1.26 -2.57 119.30 115.26 2kcm s MET 46 Ca 0.49 1.65 0.03 0.00 -1.71 0.00 0.00 55.69 56.15 2kcm s MET 46 Cb -0.03 -3.17 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2kcm s MET 46 CO 0.32 0.31 -0.14 0.14 -0.01 0.00 0.00 175.02 175.64 2kcm s VAL 47 N -1.22 1.29 -0.15 -6.03 -7.23 -1.20 -4.31 120.40 101.55 2kcm s VAL 47 Ca 0.44 -0.58 -0.20 0.00 -1.81 0.00 0.00 61.98 59.83 2kcm s VAL 47 Cb -0.29 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2kcm s VAL 47 CO 0.36 0.39 0.57 -2.28 -0.31 0.00 0.00 175.10 173.83 2kcm s HIS 48 N 0.50 3.46 0.03 2.82 5.65 -0.68 -3.86 115.29 123.20 2kcm s HIS 48 Ca -0.13 0.94 -0.04 0.00 0.25 0.00 0.00 55.06 56.08 2kcm s HIS 48 Cb -0.15 -2.69 -0.01 0.00 -1.18 0.00 0.00 32.58 28.54 2kcm s HIS 48 CO 0.04 0.00 0.06 -0.59 -0.65 0.00 0.00 174.74 173.61 2kcm s PHE 49 N 1.22 0.20 0.12 3.88 -0.71 -1.26 -0.87 117.98 120.57 2kcm s PHE 49 Ca 0.28 -0.47 0.03 0.00 -1.04 0.00 0.00 56.93 55.74 2kcm s PHE 49 Cb -0.16 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.46 2kcm s PHE 49 CO 0.12 -0.30 0.18 -0.51 -1.34 0.00 0.00 175.22 173.37 2kcm s ASP 50 N -1.83 5.95 0.45 1.98 1.11 -0.96 -4.64 116.67 118.74 2kcm s ASP 50 Ca -0.09 0.07 -0.25 0.00 0.18 0.00 0.00 52.55 52.46 2kcm s ASP 50 Cb -0.04 -1.70 -0.08 0.00 1.07 0.00 0.00 42.92 42.17 2kcm s ASP 50 CO -0.02 0.11 1.37 -2.16 1.18 0.00 0.00 175.17 175.64 2kcm s PRO 51 N -2.87 3.69 -0.41 8.23 0.04 -1.26 -3.13 135.00 139.29 2kcm s PRO 51 Ca 0.33 2.29 0.05 0.00 0.04 0.00 0.00 61.00 63.71 2kcm s PRO 51 Cb -0.11 -2.62 0.17 0.00 0.04 0.00 0.00 34.50 31.98 2kcm s PRO 51 CO 0.26 -0.77 0.50 0.99 0.04 0.00 0.00 177.00 178.01 2kcm s THR 52 N -1.25 -0.56 -1.02 1.26 2.01 -1.22 -4.76 115.64 110.11 2kcm s THR 52 Ca 0.61 -0.86 -0.22 0.00 0.31 0.00 0.00 61.69 61.54 2kcm s THR 52 Cb -0.41 -0.43 0.07 0.00 0.01 0.00 0.00 72.50 71.74 2kcm s THR 52 CO 0.52 -0.40 1.40 -2.16 -0.69 0.00 0.00 174.62 173.30 2kcm s PRO 53 N 1.34 3.62 0.65 4.92 0.04 -1.26 -3.26 135.00 141.05 2kcm s PRO 53 Ca 0.20 -1.33 0.02 0.00 0.04 0.00 0.00 61.00 59.93 2kcm s PRO 53 Cb -0.08 -5.28 0.10 0.00 0.04 0.00 0.00 34.50 29.28 2kcm s PRO 53 CO -0.05 -2.12 0.90 0.95 0.04 0.00 0.00 177.00 176.72 2kcm s THR 54 N 4.41 2.25 0.45 1.26 -4.23 -1.24 -4.94 115.64 113.59 2kcm s THR 54 Ca 0.44 -0.71 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 2kcm s THR 54 Cb -0.01 -2.53 0.36 0.00 1.34 0.00 0.00 72.50 71.66 2kcm s THR 54 CO -0.09 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 175.28 2kcm h PRO 55 N -0.24 0.33 -0.63 3.99 0.11 -2.00 -1.21 132.00 132.35 2kcm h PRO 55 Ca -0.36 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 2kcm h PRO 55 Cb 1.28 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2kcm h PRO 55 CO 0.42 0.22 0.27 0.87 -0.21 0.00 0.00 178.00 179.57 2kcm h LYS 56 N 0.34 0.93 0.00 1.05 1.79 -1.98 -3.48 116.57 115.22 2kcm h LYS 56 Ca 0.34 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2kcm h LYS 56 Cb 0.85 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2kcm h LYS 56 CO -0.09 0.77 0.00 0.41 -1.08 0.00 0.00 179.45 179.46 2kcm n GLY 57 N -0.87 1.30 3.61 3.86 0.00 -0.46 -5.07 105.19 107.56 2kcm n GLY 57 Ca 0.04 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 2kcm n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kcm s LEU 58 N 0.00 3.67 0.03 0.99 1.43 -1.26 -3.73 118.68 119.80 2kcm s LEU 58 Ca 0.00 0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 52.92 2kcm s LEU 58 Cb 0.00 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.36 2kcm s LEU 58 CO 0.00 0.20 0.50 0.00 0.23 0.00 0.00 176.35 177.27 2kcm s ALA 59 N 0.23 -1.27 -0.09 4.21 0.00 -1.20 -3.76 121.76 119.88 2kcm s ALA 59 Ca 0.02 0.62 -0.00 0.00 0.00 0.00 0.00 51.96 52.59 2kcm s ALA 59 Cb -0.13 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2kcm s ALA 59 CO 0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 175.76 175.27 2kcm s ALA 60 N -2.14 3.03 -0.01 0.00 0.00 -1.19 -3.37 121.76 118.07 2kcm s ALA 60 Ca -0.07 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2kcm s ALA 60 Cb -0.01 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2kcm s ALA 60 CO 0.01 0.52 -0.09 0.21 0.00 0.00 0.00 175.76 176.40 2kcm s LYS 61 N -0.63 0.80 -0.70 0.00 2.20 -1.18 -4.86 119.74 115.37 2kcm s LYS 61 Ca 0.10 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 2kcm s LYS 61 Cb -0.12 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 2kcm s LYS 61 CO 0.02 0.17 0.62 0.00 -0.36 0.00 0.00 175.35 175.79 2kcm n ALA 62 N 3.00 -1.91 -2.54 3.13 0.00 -1.23 -2.26 120.51 118.70 2kcm n ALA 62 Ca -0.15 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 2kcm n ALA 62 Cb 0.56 -3.81 -0.05 0.00 0.00 0.00 0.00 19.45 16.15 2kcm n ALA 62 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kcm s ILE 63 N -3.24 4.92 0.04 0.00 1.01 -1.26 -4.04 121.20 118.63 2kcm s ILE 63 Ca 0.28 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.33 2kcm s ILE 63 Cb -0.04 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 2kcm s ILE 63 CO 0.51 0.35 -0.04 -0.94 0.00 0.00 0.00 174.94 174.82 2kcm s SER 64 N 0.19 0.46 0.03 3.58 1.04 -0.04 -4.82 113.70 114.13 2kcm s SER 64 Ca 0.35 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 2kcm s SER 64 Cb -0.19 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 65.99 2kcm s SER 64 CO 0.19 -0.37 0.64 -1.48 0.98 0.00 0.00 173.24 173.20 2kcm s LEU 65 N -1.94 4.45 0.00 2.42 2.34 -1.26 -1.69 118.68 123.00 2kcm s LEU 65 Ca -0.08 1.27 0.22 0.00 0.06 0.00 0.00 54.13 55.61 2kcm s LEU 65 Cb -0.05 -3.01 1.14 0.00 -0.56 0.00 0.00 46.19 43.71 2kcm s LEU 65 CO -0.03 0.11 1.72 -0.81 -1.06 0.00 0.00 176.35 176.29 2kcm n PRO 66 N 2.53 0.34 -2.30 1.48 -0.04 -1.26 -4.82 135.00 130.93 2kcm n PRO 66 Ca -0.06 0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2kcm n PRO 66 Cb 0.51 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2kcm n PRO 66 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kcm s LEU 67 N -2.53 4.41 -0.09 1.53 1.02 -1.26 -4.39 118.68 117.36 2kcm s LEU 67 Ca 0.22 2.43 -0.05 0.00 0.02 0.00 0.00 54.13 56.75 2kcm s LEU 67 Cb 0.15 -3.75 0.02 0.00 0.02 0.00 0.00 46.19 42.63 2kcm s LEU 67 CO 0.33 -0.42 0.10 1.21 0.02 0.00 0.00 176.35 177.59 2kcm n GLU 68 N 0.74 -2.65 -1.46 1.70 2.13 -1.26 -5.04 120.64 114.80 2kcm n GLU 68 Ca 0.01 2.17 -0.01 0.00 0.66 0.00 0.00 57.16 59.99 2kcm n GLU 68 Cb 0.44 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.38 2kcm n GLU 68 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2kcm n HIS 69 N 2.01 -0.96 -3.16 4.31 1.44 -1.26 -5.04 115.22 112.56 2kcm n HIS 69 Ca -0.17 -0.22 -0.13 0.00 -2.01 0.00 0.00 57.72 55.19 2kcm n HIS 69 Cb 0.30 0.09 0.01 0.00 0.12 0.00 0.00 29.99 30.51 2kcm n HIS 69 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcm n HIS 70 N -0.06 -3.01 -3.61 -1.40 -0.00 -1.26 -5.03 115.22 100.85 2kcm n HIS 70 Ca -0.01 1.20 -0.15 0.00 -0.00 0.00 0.00 57.72 58.77 2kcm n HIS 70 Cb 0.06 -3.51 -0.06 0.00 -0.00 0.00 0.00 29.99 26.48 2kcm n HIS 70 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcm s HIS 71 N -2.57 -0.43 0.00 1.57 -0.00 -1.26 -5.06 115.29 107.54 2kcm s HIS 71 Ca 0.17 0.61 0.00 0.00 -0.00 0.00 0.00 55.06 55.84 2kcm s HIS 71 Cb -0.03 0.29 0.00 0.00 -0.00 0.00 0.00 32.58 32.84 2kcm s HIS 71 CO 0.80 -0.56 0.00 -2.39 -0.00 0.00 0.00 174.74 172.59 2kcm n HIS 72 N 0.79 -0.78 -0.20 0.38 1.44 -1.26 -4.93 115.22 110.67 2kcm n HIS 72 Ca -0.19 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.44 2kcm n HIS 72 Cb 0.58 0.20 0.02 0.00 0.12 0.00 0.00 29.99 30.91 2kcm n HIS 72 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kcm h HIS 73 N 0.00 0.83 -0.01 -1.40 -0.00 -2.05 -3.57 115.15 108.94 2kcm h HIS 73 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 2kcm h HIS 73 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2kcm h HIS 73 CO 0.00 0.66 0.00 1.58 -0.00 0.00 0.00 177.93 180.17