#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 2.72 0.10 0.03 2.20 -1.26 -1.21 119.74 122.32 2kcm s LYS 2 Ca 0.00 -0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 54.93 2kcm s LYS 2 Cb 0.00 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2kcm s LYS 2 CO 0.00 0.64 0.44 0.41 -0.36 0.00 0.00 175.35 176.48 2kcm n GLY 3 N 1.86 1.10 3.04 5.54 0.00 -0.97 -3.55 105.19 112.21 2kcm n GLY 3 Ca -0.17 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.03 0.72 -0.38 1.61 1.02 0.12 -0.76 119.74 120.03 2kcm s LYS 4 Ca 0.10 -0.43 -0.27 0.00 0.02 0.00 0.00 55.97 55.38 2kcm s LYS 4 Cb -0.01 -0.68 0.02 0.00 -0.52 0.00 0.00 37.83 36.64 2kcm s LYS 4 CO 0.03 0.18 1.01 0.54 -0.92 0.00 0.00 175.35 176.19 2kcm s VAL 5 N -0.44 4.48 0.04 3.17 0.11 -1.11 -0.14 120.40 126.52 2kcm s VAL 5 Ca 0.02 1.33 -0.12 0.00 -2.93 0.00 0.00 61.98 60.28 2kcm s VAL 5 Cb -0.05 -4.42 -0.33 0.00 -1.53 0.00 0.00 36.38 30.05 2kcm s VAL 5 CO 0.00 -0.63 1.03 1.62 -3.33 0.00 0.00 175.10 173.79 2kcm h VAL 6 N 5.89 1.34 -2.86 2.04 3.04 -1.87 0.11 116.25 123.94 2kcm h VAL 6 Ca -0.22 -2.81 0.03 0.00 -1.01 0.00 0.00 66.70 62.69 2kcm h VAL 6 Cb 1.07 3.01 -0.11 0.00 -2.01 0.00 0.00 31.29 33.25 2kcm h VAL 6 CO 1.03 0.84 0.27 -0.94 -1.01 0.00 0.00 177.57 177.76 2kcm s SER 7 N -7.44 -0.46 -0.26 3.17 1.04 -1.10 -4.65 113.70 104.01 2kcm s SER 7 Ca -0.08 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 2kcm s SER 7 Cb 0.05 0.59 0.15 0.00 0.10 0.00 0.00 66.02 66.90 2kcm s SER 7 CO 0.93 -0.99 0.42 -0.47 0.98 0.00 0.00 173.24 174.11 2kcm s TYR 8 N -3.66 -0.99 -0.46 5.02 5.04 -1.26 -2.64 117.35 118.40 2kcm s TYR 8 Ca 0.04 1.01 -0.15 0.00 -2.44 0.00 0.00 57.07 55.52 2kcm s TYR 8 Cb -0.02 0.13 0.06 0.00 0.35 0.00 0.00 41.96 42.48 2kcm s TYR 8 CO -0.08 -0.76 0.37 -0.51 -1.34 0.00 0.00 175.55 173.24 2kcm s LEU 9 N 2.61 5.46 0.21 6.97 2.01 -1.23 -4.92 118.68 129.78 2kcm s LEU 9 Ca 0.14 -1.19 -0.05 0.00 0.01 0.00 0.00 54.13 53.04 2kcm s LEU 9 Cb -0.15 -2.18 0.16 0.00 0.01 0.00 0.00 46.19 44.03 2kcm s LEU 9 CO -0.17 -0.60 1.60 0.00 1.01 0.00 0.00 176.35 178.20 2kcm h ALA 10 N 8.72 0.83 -0.41 4.21 0.00 -1.92 -1.80 119.26 128.90 2kcm h ALA 10 Ca -0.28 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2kcm h ALA 10 Cb 1.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kcm h ALA 10 CO 0.84 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.82 2kcm h ALA 11 N 1.04 1.39 -0.01 0.00 0.00 -1.93 -1.29 119.26 118.47 2kcm h ALA 11 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kcm h ALA 11 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kcm h ALA 11 CO 0.07 0.44 -0.20 1.63 0.00 0.00 0.00 179.25 181.19 2kcm n LYS 12 N -4.31 0.92 0.00 0.00 5.02 -1.11 -4.89 118.16 113.79 2kcm n LYS 12 Ca 0.03 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 2kcm n LYS 12 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2kcm n LYS 12 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2kcm n LYS 13 N -0.59 0.00 -4.21 1.97 2.85 -0.49 -4.87 118.16 112.81 2kcm n LYS 13 Ca 0.13 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.25 2kcm n LYS 13 Cb 0.34 -2.45 -0.10 0.00 -0.65 0.00 0.00 35.03 32.16 2kcm n LYS 13 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2kcm s TYR 14 N -0.81 1.15 0.00 5.58 -0.85 -1.16 -4.00 117.35 117.26 2kcm s TYR 14 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 2kcm s TYR 14 Cb 0.00 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.73 2kcm s TYR 14 CO 0.00 0.03 0.00 0.41 -1.52 0.00 0.00 175.55 174.47 2kcm n GLY 15 N 0.11 4.98 3.22 5.49 0.00 -1.01 -3.57 105.19 114.41 2kcm n GLY 15 Ca -0.13 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 1.56 -0.12 -0.03 1.61 0.08 -1.08 -3.83 117.98 116.17 2kcm s PHE 16 Ca 0.00 0.12 0.02 0.00 0.12 0.00 0.00 56.93 57.18 2kcm s PHE 16 Cb 0.00 0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.53 2kcm s PHE 16 CO 0.00 -0.41 -0.07 0.42 -0.10 0.00 0.00 175.22 175.06 2kcm s ILE 17 N -1.70 0.68 -0.30 0.64 1.01 -0.98 -2.70 121.20 117.85 2kcm s ILE 17 Ca -0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2kcm s ILE 17 Cb -0.04 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 2kcm s ILE 17 CO 0.02 0.23 0.16 -1.58 0.00 0.00 0.00 174.94 173.77 2kcm s GLN 18 N 0.47 3.50 0.71 2.79 2.00 0.80 -1.53 119.66 128.39 2kcm s GLN 18 Ca -0.07 -0.61 -0.11 0.00 -2.00 0.00 0.00 55.36 52.57 2kcm s GLN 18 Cb -0.11 -3.57 0.01 0.00 0.80 0.00 0.00 33.01 30.15 2kcm s GLN 18 CO 0.01 -0.35 1.06 0.20 -0.50 0.00 0.00 175.29 175.71 2kcm s GLY 19 N 1.65 1.66 0.46 2.59 0.00 -0.26 0.10 107.32 113.53 2kcm s GLY 19 Ca 0.05 0.06 0.24 0.00 0.00 0.00 0.00 44.72 45.08 2kcm s GLY 19 CO 0.07 0.38 1.92 1.29 0.00 0.00 0.00 173.10 176.75 2kcm h ASP 20 N -0.76 0.00 -0.30 1.64 2.03 -1.86 -2.05 116.42 115.13 2kcm h ASP 20 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2kcm h ASP 20 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2kcm h ASP 20 CO 0.57 0.21 0.00 0.47 -1.03 0.00 0.00 179.24 179.46 2kcm n ASP 21 N -3.55 2.08 0.00 4.15 8.00 -1.26 -4.87 116.55 121.11 2kcm n ASP 21 Ca -0.01 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2kcm n ASP 21 Cb 0.36 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kcm n GLY 22 N 1.18 0.65 3.57 0.44 0.00 -0.77 -5.02 105.19 105.25 2kcm n GLY 22 Ca 0.15 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.44 3.73 0.38 1.61 0.41 -1.26 -4.78 118.70 118.35 2kcm s GLU 23 Ca 0.00 0.02 -0.21 0.00 -0.41 0.00 0.00 54.97 54.36 2kcm s GLU 23 Cb 0.00 -3.78 -0.10 0.00 -1.78 0.00 0.00 34.13 28.47 2kcm s GLU 23 CO 0.00 -0.62 0.91 -1.54 -0.49 0.00 0.00 175.26 173.52 2kcm s SER 24 N 1.73 7.02 -0.02 -0.19 1.04 -1.26 -1.10 113.70 120.92 2kcm s SER 24 Ca 0.21 1.65 0.02 0.00 0.48 0.00 0.00 55.95 58.31 2kcm s SER 24 Cb -0.15 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2kcm s SER 24 CO 0.13 -0.24 -0.06 -0.31 0.98 0.00 0.00 173.24 173.73 2kcm s TYR 25 N -1.97 0.66 0.28 5.02 2.02 -0.58 -4.62 117.35 118.16 2kcm s TYR 25 Ca 0.57 -0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 2kcm s TYR 25 Cb -0.12 -0.48 -0.10 0.00 -0.40 0.00 0.00 41.96 40.86 2kcm s TYR 25 CO 0.17 -0.06 1.13 -0.06 -1.57 0.00 0.00 175.55 175.15 2kcm s PHE 26 N 0.15 3.51 -0.21 2.71 0.40 -1.24 -2.33 117.98 120.98 2kcm s PHE 26 Ca -0.02 1.65 -0.02 0.00 -0.60 0.00 0.00 56.93 57.94 2kcm s PHE 26 Cb -0.06 -3.34 -0.00 0.00 0.51 0.00 0.00 43.02 40.13 2kcm s PHE 26 CO -0.00 -0.73 -0.09 -1.17 0.70 0.00 0.00 175.22 173.93 2kcm s LEU 27 N -1.39 2.70 0.12 -0.37 0.20 -1.25 -2.79 118.68 115.89 2kcm s LEU 27 Ca 0.46 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.83 2kcm s LEU 27 Cb -0.33 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 2kcm s LEU 27 CO 0.42 -0.00 0.01 -1.00 -0.29 0.00 0.00 176.35 175.48 2kcm s HIS 28 N 1.37 0.87 0.29 5.38 0.09 -1.26 -2.42 115.29 119.60 2kcm s HIS 28 Ca 0.05 -1.10 0.02 0.00 -0.00 0.00 0.00 55.06 54.02 2kcm s HIS 28 Cb -0.14 -0.51 0.43 0.00 -0.00 0.00 0.00 32.58 32.35 2kcm s HIS 28 CO -0.05 -0.36 1.75 0.74 -0.00 0.00 0.00 174.74 176.82 2kcm h PHE 29 N 2.91 0.60 0.00 1.40 -1.00 -1.96 -2.16 116.94 116.74 2kcm h PHE 29 Ca -0.35 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2kcm h PHE 29 Cb 1.18 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.59 2kcm h PHE 29 CO 0.50 0.68 0.11 1.03 -1.61 0.00 0.00 178.31 179.03 2kcm h SER 30 N 0.50 0.00 0.28 2.17 0.87 -1.96 0.57 113.55 115.98 2kcm h SER 30 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2kcm h SER 30 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kcm h SER 30 CO 0.04 0.00 -0.71 -0.62 -0.53 0.00 0.00 176.83 175.01 2kcm n GLU 31 N -2.68 0.02 -2.96 2.24 -0.58 -0.81 -4.80 120.64 111.06 2kcm n GLU 31 Ca -0.02 -0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.28 2kcm n GLU 31 Cb 0.16 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.99 4.19 0.19 -4.62 1.43 0.20 -3.53 118.68 113.55 2kcm s LEU 32 Ca 0.10 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.20 2kcm s LEU 32 Cb 0.17 -2.99 0.11 0.00 0.03 0.00 0.00 46.19 43.50 2kcm s LEU 32 CO 0.77 -0.83 1.75 -0.07 0.23 0.00 0.00 176.35 178.19 2kcm h LEU 33 N 9.96 0.94 -7.45 1.79 -0.00 -1.87 -3.39 115.31 115.29 2kcm h LEU 33 Ca -0.25 -0.17 -0.59 0.00 -0.00 0.00 0.00 57.88 56.87 2kcm h LEU 33 Cb 1.09 -0.24 -0.39 0.00 -0.00 0.00 0.00 40.66 41.12 2kcm h LEU 33 CO 0.94 0.85 -0.77 -1.81 -0.00 0.00 0.00 178.44 177.65 2kcm s ASP 34 N -6.20 3.78 0.00 -0.43 1.01 -1.26 -4.96 116.67 108.60 2kcm s ASP 34 Ca -0.13 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.84 2kcm s ASP 34 Cb 0.14 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 43.05 2kcm s ASP 34 CO 0.81 -0.31 0.70 0.29 0.21 0.00 0.00 175.17 176.88 2kcm n LYS 35 N 4.75 0.00 -0.16 8.23 5.02 -1.26 -1.19 118.16 133.55 2kcm n LYS 35 Ca -0.08 0.25 -0.05 0.00 -2.02 0.00 0.00 58.31 56.41 2kcm n LYS 35 Cb 0.44 -1.58 0.14 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.91 0.00 1.97 1.57 -1.96 -1.38 116.57 117.68 2kcm h LYS 36 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2kcm h LYS 36 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2kcm h LYS 36 CO 0.00 0.84 0.00 -0.25 -0.57 0.00 0.00 179.45 179.47 2kcm n ASP 37 N -4.24 0.00 -0.20 0.86 8.00 -0.33 -3.28 116.55 117.36 2kcm n ASP 37 Ca 0.04 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 2kcm n ASP 37 Cb 0.26 -0.38 0.08 0.00 -0.02 0.00 0.00 41.12 41.06 2kcm n ASP 37 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2kcm h GLU 38 N 0.00 0.57 -0.00 -1.24 4.81 -1.40 0.53 114.58 117.84 2kcm h GLU 38 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2kcm h GLU 38 Cb 0.23 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2kcm h GLU 38 CO 0.00 0.37 -0.02 0.41 -0.73 0.00 0.00 179.01 179.05 2kcm n GLY 39 N -1.27 -1.47 0.37 1.92 0.00 -1.21 -3.12 105.19 100.42 2kcm n GLY 39 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.48 2.31 0.00 1.61 5.02 -0.09 -5.04 118.16 120.50 2kcm n LYS 40 Ca 0.08 -2.37 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 2kcm n LYS 40 Cb 0.33 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2kcm n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kcm n LEU 41 N -0.72 0.00 -4.37 -0.35 4.77 0.17 -4.96 117.00 111.54 2kcm n LEU 41 Ca 0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 2kcm n LEU 41 Cb 0.61 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2kcm n LEU 41 CO 0.06 -1.29 -0.40 0.68 -1.33 0.00 0.00 177.39 175.11 2kcm s VAL 42 N -0.68 1.61 -0.33 4.08 -7.23 -1.26 -5.07 120.40 111.52 2kcm s VAL 42 Ca 0.00 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2kcm s VAL 42 Cb 0.00 -2.20 0.14 0.00 0.56 0.00 0.00 36.38 34.88 2kcm s VAL 42 CO 0.00 -0.48 0.29 -0.75 -0.31 0.00 0.00 175.10 173.85 2kcm s LYS 43 N -3.70 0.45 0.00 4.82 2.20 -1.26 -4.81 119.74 117.45 2kcm s LYS 43 Ca 0.25 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2kcm s LYS 43 Cb 0.02 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.50 2kcm s LYS 43 CO 0.08 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.37 2kcm n GLY 44 N 4.73 2.27 3.91 5.54 0.00 0.38 -5.02 105.19 117.01 2kcm n GLY 44 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcm s SER 45 N -1.66 5.47 0.42 1.61 0.01 -1.26 -4.64 113.70 113.65 2kcm s SER 45 Ca 0.00 0.76 -0.25 0.00 1.31 0.00 0.00 55.95 57.77 2kcm s SER 45 Cb 0.00 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.47 2kcm s SER 45 CO 0.00 -1.18 1.26 -0.04 0.41 0.00 0.00 173.24 173.69 2kcm s MET 46 N -5.09 3.90 0.18 12.44 -1.94 -1.26 -2.73 119.30 124.79 2kcm s MET 46 Ca 0.55 2.06 0.05 0.00 -1.71 0.00 0.00 55.69 56.64 2kcm s MET 46 Cb -0.11 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 2kcm s MET 46 CO 0.46 -0.51 -0.08 0.14 -0.01 0.00 0.00 175.02 175.02 2kcm s VAL 47 N -1.32 1.19 -0.06 -6.03 -7.23 0.06 -4.31 120.40 102.69 2kcm s VAL 47 Ca 0.59 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2kcm s VAL 47 Cb -0.36 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2kcm s VAL 47 CO 0.45 -0.61 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.25 2kcm s HIS 48 N -3.32 1.27 0.08 2.82 2.46 -1.10 -2.28 115.29 115.21 2kcm s HIS 48 Ca 0.21 -0.46 -0.05 0.00 0.47 0.00 0.00 55.06 55.22 2kcm s HIS 48 Cb 0.03 -0.97 -0.02 0.00 -0.13 0.00 0.00 32.58 31.49 2kcm s HIS 48 CO 0.03 -0.27 0.10 -0.59 -2.47 0.00 0.00 174.74 171.55 2kcm s PHE 49 N 0.82 0.34 0.15 3.88 -0.71 -0.35 -1.12 117.98 120.98 2kcm s PHE 49 Ca -0.12 -0.81 0.04 0.00 -1.04 0.00 0.00 56.93 55.00 2kcm s PHE 49 Cb -0.15 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 41.42 2kcm s PHE 49 CO 0.02 -0.49 0.18 -0.51 -1.34 0.00 0.00 175.22 173.07 2kcm s ASP 50 N -2.90 5.79 0.37 1.98 1.11 -0.65 0.16 116.67 122.53 2kcm s ASP 50 Ca 0.07 -0.02 -0.25 0.00 0.18 0.00 0.00 52.55 52.54 2kcm s ASP 50 Cb 0.06 -1.60 -0.12 0.00 1.07 0.00 0.00 42.92 42.33 2kcm s ASP 50 CO -0.09 0.08 0.87 -2.65 1.18 0.00 0.00 175.17 174.56 2kcm n PRO 51 N -0.31 1.09 -4.38 8.23 -0.02 -1.26 -3.88 135.00 134.47 2kcm n PRO 51 Ca -0.08 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.56 2kcm n PRO 51 Cb 0.54 -1.80 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 2kcm n PRO 51 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kcm s THR 52 N -1.24 1.49 -0.66 3.45 -4.23 -1.26 -4.88 115.64 108.31 2kcm s THR 52 Ca 0.62 -1.31 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 2kcm s THR 52 Cb -0.63 -1.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.78 2kcm s THR 52 CO 0.58 -0.00 2.15 -0.81 -0.54 0.00 0.00 174.62 176.00 2kcm n PRO 53 N 1.48 1.82 -3.07 3.99 -0.04 -1.26 -4.41 135.00 133.51 2kcm n PRO 53 Ca -0.19 -1.21 -0.19 0.00 -0.04 0.00 0.00 63.50 61.87 2kcm n PRO 53 Cb 0.54 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.71 2kcm n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kcm n THR 54 N 3.79 0.68 0.32 0.52 -2.24 -1.26 -4.89 114.28 111.20 2kcm n THR 54 Ca 0.39 -4.67 0.15 0.00 -2.27 0.00 0.00 64.05 57.65 2kcm n THR 54 Cb 0.24 -0.44 0.67 0.00 -2.10 0.00 0.00 70.33 68.70 2kcm n THR 54 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2kcm h PRO 55 N 2.98 0.00 -1.60 -0.78 0.13 -1.95 1.68 132.00 132.47 2kcm h PRO 55 Ca 0.09 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.56 2kcm h PRO 55 Cb 0.89 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.67 2kcm h PRO 55 CO 0.58 0.00 0.07 1.17 -0.23 0.00 0.00 178.00 179.59 2kcm n LYS 56 N -2.71 3.13 0.00 0.86 4.81 -1.26 -4.54 118.16 118.46 2kcm n LYS 56 Ca 0.01 -4.01 0.00 0.00 -0.87 0.00 0.00 58.31 53.43 2kcm n LYS 56 Cb 0.22 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.01 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kcm n GLY 57 N -0.55 0.02 1.63 3.14 0.00 -1.13 -5.13 105.19 103.17 2kcm n GLY 57 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2kcm n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcm n LEU 58 N 0.00 -1.97 -3.51 0.99 4.77 0.57 -4.60 117.00 113.26 2kcm n LEU 58 Ca 0.00 3.04 -0.12 0.00 -0.03 0.00 0.00 56.01 58.90 2kcm n LEU 58 Cb 0.00 -3.20 -0.04 0.00 -2.33 0.00 0.00 43.42 37.85 2kcm n LEU 58 CO 0.00 -0.25 0.59 0.00 -1.33 0.00 0.00 177.39 176.40 2kcm s ALA 59 N -4.59 -1.79 -0.10 -1.18 0.00 -1.26 -3.59 121.76 109.24 2kcm s ALA 59 Ca 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2kcm s ALA 59 Cb 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 2kcm s ALA 59 CO 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 175.76 175.20 2kcm s ALA 60 N -2.27 3.12 0.01 0.00 0.00 -1.12 -4.41 121.76 117.08 2kcm s ALA 60 Ca -0.01 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2kcm s ALA 60 Cb -0.01 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.67 2kcm s ALA 60 CO -0.02 0.47 -0.09 0.21 0.00 0.00 0.00 175.76 176.33 2kcm s LYS 61 N -0.50 0.69 -1.23 0.00 2.20 -1.25 -4.77 119.74 114.88 2kcm s LYS 61 Ca 0.08 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2kcm s LYS 61 Cb -0.12 -0.64 0.00 0.00 -1.51 0.00 0.00 37.83 35.56 2kcm s LYS 61 CO 0.02 0.17 1.00 0.00 -0.36 0.00 0.00 175.35 176.18 2kcm n ALA 62 N 2.49 -1.94 -1.79 3.13 0.00 -1.23 -1.63 120.51 119.54 2kcm n ALA 62 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 2kcm n ALA 62 Cb 0.56 -2.75 -0.02 0.00 0.00 0.00 0.00 19.45 17.25 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 -3.38 2.70 0.05 0.00 1.01 -1.26 -4.41 121.20 115.92 2kcm s ILE 63 Ca 0.07 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.44 2kcm s ILE 63 Cb -0.03 -3.44 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2kcm s ILE 63 CO 0.74 0.16 -0.10 -0.55 0.00 0.00 0.00 174.94 175.18 2kcm s SER 64 N -0.35 1.20 -0.44 3.58 0.15 -0.28 -4.93 113.70 112.63 2kcm s SER 64 Ca 0.50 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 56.49 2kcm s SER 64 Cb -0.40 -0.00 0.09 0.00 -1.71 0.00 0.00 66.02 64.00 2kcm s SER 64 CO 0.52 -0.14 0.30 -1.48 1.20 0.00 0.00 173.24 173.64 2kcm s LEU 65 N -1.62 5.39 0.00 3.45 2.34 -1.26 -2.73 118.68 124.26 2kcm s LEU 65 Ca -0.06 -1.62 0.31 0.00 0.06 0.00 0.00 54.13 52.81 2kcm s LEU 65 Cb -0.10 -2.02 1.60 0.00 -0.56 0.00 0.00 46.19 45.11 2kcm s LEU 65 CO 0.01 -0.60 2.07 -0.81 -1.06 0.00 0.00 176.35 175.96 2kcm n PRO 66 N 4.95 0.81 -2.03 1.48 -0.04 -1.26 -4.88 135.00 134.03 2kcm n PRO 66 Ca -0.10 -0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 2kcm n PRO 66 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 2kcm n PRO 66 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2kcm s LEU 67 N -2.27 4.40 -0.33 1.53 2.96 -1.26 -4.15 118.68 119.55 2kcm s LEU 67 Ca 0.38 2.77 -0.04 0.00 -0.22 0.00 0.00 54.13 57.01 2kcm s LEU 67 Cb 0.21 -3.65 0.01 0.00 0.50 0.00 0.00 46.19 43.26 2kcm s LEU 67 CO 0.42 -0.64 0.16 1.21 -1.32 0.00 0.00 176.35 176.17 2kcm n GLU 68 N 1.03 -3.14 -2.79 1.98 2.13 -1.26 -4.96 120.64 113.64 2kcm n GLU 68 Ca 0.02 2.57 -0.34 0.00 0.66 0.00 0.00 57.16 60.07 2kcm n GLU 68 Cb 0.41 -5.31 -0.07 0.00 0.27 0.00 0.00 31.44 26.74 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2kcm s HIS 69 N -1.86 3.36 -0.01 4.31 3.76 -1.26 -4.67 115.29 118.92 2kcm s HIS 69 Ca 0.07 1.64 -0.02 0.00 -0.15 0.00 0.00 55.06 56.60 2kcm s HIS 69 Cb -0.02 -2.89 0.01 0.00 1.11 0.00 0.00 32.58 30.79 2kcm s HIS 69 CO 0.76 -0.11 0.04 1.58 -0.85 0.00 0.00 174.74 176.16 2kcm n HIS 70 N -0.41 -3.68 -1.99 1.40 -0.00 -1.26 -4.84 115.22 104.44 2kcm n HIS 70 Ca 0.06 2.18 -0.41 0.00 -0.00 0.00 0.00 57.72 59.55 2kcm n HIS 70 Cb 0.53 -3.20 -0.01 0.00 -0.00 0.00 0.00 29.99 27.31 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 -0.47 2.89 -0.83 1.57 0.00 -1.26 -4.89 115.29 112.29 2kcm s HIS 71 Ca -0.04 1.26 0.26 0.00 -3.00 0.00 0.00 55.06 53.54 2kcm s HIS 71 Cb 0.00 -3.82 0.75 0.00 -4.00 0.00 0.00 32.58 25.51 2kcm s HIS 71 CO 0.11 -2.39 1.63 0.72 -1.00 0.00 0.00 174.74 173.81 2kcm n HIS 72 N 0.96 0.41 -3.75 0.38 8.25 -1.26 -4.90 115.22 115.31 2kcm n HIS 72 Ca 0.02 0.12 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 2kcm n HIS 72 Cb 0.41 -0.62 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 2kcm n HIS 72 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcm s HIS 73 N -3.07 -0.02 0.00 4.41 -3.43 -1.26 -5.32 115.29 106.60 2kcm s HIS 73 Ca 0.10 -0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2kcm s HIS 73 Cb 0.15 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 2kcm s HIS 73 CO 0.63 -0.74 0.00 1.58 -2.00 0.00 0.00 174.74 174.21