#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcm n LYS 2 N 0.00 0.00 0.00 0.03 4.76 -1.26 -4.71 118.16 116.98 2kcm n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kcm n LYS 2 Cb 0.00 -0.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 2kcm n LYS 2 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kcm n GLY 3 N 1.25 1.39 3.03 0.72 0.00 -1.25 -4.23 105.19 106.10 2kcm n GLY 3 Ca 0.00 -1.63 -0.15 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.64 0.52 -0.40 1.61 1.02 -0.74 -3.01 119.74 117.10 2kcm s LYS 4 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 55.97 55.24 2kcm s LYS 4 Cb 0.00 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2kcm s LYS 4 CO 0.00 0.09 0.76 0.54 -0.92 0.00 0.00 175.35 175.82 2kcm s VAL 5 N -0.83 4.72 0.11 3.17 0.11 -1.08 -0.36 120.40 126.23 2kcm s VAL 5 Ca -0.04 0.63 -0.14 0.00 -2.93 0.00 0.00 61.98 59.50 2kcm s VAL 5 Cb -0.07 -4.24 -0.10 0.00 -1.53 0.00 0.00 36.38 30.45 2kcm s VAL 5 CO 0.00 -0.54 1.40 1.62 -3.33 0.00 0.00 175.10 174.24 2kcm h VAL 6 N 5.84 1.30 -2.97 2.04 3.04 -1.87 -3.20 116.25 120.43 2kcm h VAL 6 Ca -0.25 -1.61 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 2kcm h VAL 6 Cb 1.09 1.66 -0.12 0.00 -2.01 0.00 0.00 31.29 31.91 2kcm h VAL 6 CO 0.92 0.52 0.22 -0.94 -1.01 0.00 0.00 177.57 177.28 2kcm s SER 7 N -6.73 -0.54 -0.28 3.17 1.04 -1.10 -4.55 113.70 104.72 2kcm s SER 7 Ca -0.12 -0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 2kcm s SER 7 Cb 0.09 0.60 0.16 0.00 0.10 0.00 0.00 66.02 66.97 2kcm s SER 7 CO 0.86 -0.98 0.52 -0.47 0.98 0.00 0.00 173.24 174.15 2kcm s TYR 8 N -3.73 -1.30 -0.44 5.02 5.04 -1.26 -2.32 117.35 118.35 2kcm s TYR 8 Ca 0.02 1.48 -0.09 0.00 -2.44 0.00 0.00 57.07 56.03 2kcm s TYR 8 Cb -0.01 0.40 0.10 0.00 0.35 0.00 0.00 41.96 42.80 2kcm s TYR 8 CO -0.12 -0.79 0.30 -0.51 -1.34 0.00 0.00 175.55 173.09 2kcm s LEU 9 N 2.75 5.43 0.51 6.97 1.02 -1.19 -4.92 118.68 129.25 2kcm s LEU 9 Ca 0.15 -1.71 0.28 0.00 0.02 0.00 0.00 54.13 52.87 2kcm s LEU 9 Cb -0.15 -2.00 1.32 0.00 0.02 0.00 0.00 46.19 45.39 2kcm s LEU 9 CO -0.19 -0.62 2.00 0.00 0.02 0.00 0.00 176.35 177.57 2kcm h ALA 10 N 8.42 1.16 -0.77 4.21 0.00 -1.94 -2.52 119.26 127.84 2kcm h ALA 10 Ca -0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kcm h ALA 10 Cb 1.08 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kcm h ALA 10 CO 0.81 0.17 0.47 0.00 0.00 0.00 0.00 179.25 180.70 2kcm h ALA 11 N 1.86 0.97 -0.29 0.00 0.00 -1.91 -2.02 119.26 117.88 2kcm h ALA 11 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kcm h ALA 11 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kcm h ALA 11 CO 0.02 0.43 0.00 1.63 0.00 0.00 0.00 179.25 181.33 2kcm n LYS 12 N -4.51 2.29 -0.62 0.00 5.02 -1.10 -4.91 118.16 114.34 2kcm n LYS 12 Ca 0.07 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 2kcm n LYS 12 Cb 0.05 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.18 -0.59 -4.38 1.97 5.02 -0.76 -4.90 118.16 115.69 2kcm n LYS 13 Ca 0.18 0.14 -0.28 0.00 -2.02 0.00 0.00 58.31 56.33 2kcm n LYS 13 Cb 0.54 -4.50 -0.12 0.00 -0.02 0.00 0.00 35.03 30.92 2kcm n LYS 13 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kcm s TYR 14 N -0.96 2.37 0.00 2.13 2.02 -1.20 -4.31 117.35 117.41 2kcm s TYR 14 Ca 0.00 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2kcm s TYR 14 Cb 0.00 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 2kcm s TYR 14 CO 0.00 0.43 0.00 0.41 -1.57 0.00 0.00 175.55 174.82 2kcm n GLY 15 N 0.52 2.21 3.03 0.71 0.00 -1.21 -3.14 105.19 107.31 2kcm n GLY 15 Ca -0.15 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -8.01 0.51 -0.01 1.61 0.08 -0.98 -3.79 117.98 107.39 2kcm s PHE 16 Ca 0.00 -0.50 0.02 0.00 0.12 0.00 0.00 56.93 56.57 2kcm s PHE 16 Cb 0.00 -0.32 -0.00 0.00 -0.57 0.00 0.00 43.02 42.13 2kcm s PHE 16 CO 0.00 -0.12 -0.07 0.42 -0.10 0.00 0.00 175.22 175.35 2kcm s ILE 17 N -1.37 0.60 -0.48 0.64 1.01 -1.15 -2.70 121.20 117.76 2kcm s ILE 17 Ca -0.12 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 2kcm s ILE 17 Cb -0.10 -0.52 0.07 0.00 0.01 0.00 0.00 42.46 41.92 2kcm s ILE 17 CO -0.00 0.18 0.42 -1.58 0.00 0.00 0.00 174.94 173.96 2kcm s GLN 18 N -0.02 2.99 0.81 2.79 0.74 0.51 -3.05 119.66 124.43 2kcm s GLN 18 Ca 0.01 -1.31 -0.11 0.00 0.05 0.00 0.00 55.36 54.00 2kcm s GLN 18 Cb -0.05 -4.13 0.08 0.00 1.10 0.00 0.00 33.01 30.01 2kcm s GLN 18 CO -0.00 -1.05 1.10 0.20 -0.55 0.00 0.00 175.29 174.99 2kcm s GLY 19 N 2.61 1.67 0.32 2.59 0.00 -0.82 -1.79 107.32 111.89 2kcm s GLY 19 Ca 0.05 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.10 2kcm s GLY 19 CO 0.07 0.65 1.78 1.29 0.00 0.00 0.00 173.10 176.89 2kcm h ASP 20 N -1.29 0.36 -0.20 1.64 2.03 -1.84 -1.98 116.42 115.14 2kcm h ASP 20 Ca -0.44 -0.11 0.00 0.00 -0.73 0.00 0.00 57.03 55.75 2kcm h ASP 20 Cb 1.24 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2kcm h ASP 20 CO 0.50 0.60 0.00 0.47 -1.03 0.00 0.00 179.24 179.78 2kcm n ASP 21 N -4.15 1.46 0.00 4.15 8.00 -1.26 -4.86 116.55 119.89 2kcm n ASP 21 Ca -0.01 -1.79 0.00 0.00 0.71 0.00 0.00 54.79 53.71 2kcm n ASP 21 Cb 0.37 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.03 0.56 3.60 0.44 0.00 -0.74 -5.02 105.19 105.05 2kcm n GLY 22 Ca 0.14 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.13 3.93 0.52 1.61 2.02 -1.26 -4.78 118.70 119.61 2kcm s GLU 23 Ca 0.00 0.10 -0.17 0.00 0.02 0.00 0.00 54.97 54.92 2kcm s GLU 23 Cb 0.00 -3.70 -0.07 0.00 0.10 0.00 0.00 34.13 30.46 2kcm s GLU 23 CO 0.00 -0.41 1.01 -1.54 0.02 0.00 0.00 175.26 174.34 2kcm s SER 24 N 1.63 6.35 -0.03 -0.19 1.04 -1.26 -1.95 113.70 119.29 2kcm s SER 24 Ca 0.19 1.72 -0.02 0.00 0.48 0.00 0.00 55.95 58.33 2kcm s SER 24 Cb -0.16 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2kcm s SER 24 CO 0.11 -0.78 0.07 -0.31 0.98 0.00 0.00 173.24 173.30 2kcm s TYR 25 N -2.40 -0.05 0.26 5.02 2.02 -1.17 -4.68 117.35 116.34 2kcm s TYR 25 Ca 0.62 0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 57.24 2kcm s TYR 25 Cb -0.13 -0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.26 2kcm s TYR 25 CO 0.29 -0.08 0.96 -0.06 -1.57 0.00 0.00 175.55 175.09 2kcm s PHE 26 N 0.58 3.91 -0.27 2.71 0.08 -1.25 -2.93 117.98 120.81 2kcm s PHE 26 Ca -0.05 1.88 -0.04 0.00 0.12 0.00 0.00 56.93 58.85 2kcm s PHE 26 Cb -0.06 -3.01 0.02 0.00 -0.57 0.00 0.00 43.02 39.40 2kcm s PHE 26 CO -0.02 0.31 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.24 2kcm s LEU 27 N -1.32 3.45 0.17 -0.37 0.20 -1.25 -3.13 118.68 116.43 2kcm s LEU 27 Ca 0.43 -0.81 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 2kcm s LEU 27 Cb -0.26 -1.75 -0.04 0.00 -0.43 0.00 0.00 46.19 43.72 2kcm s LEU 27 CO 0.32 -0.15 0.12 -2.28 -0.29 0.00 0.00 176.35 174.07 2kcm s HIS 28 N 1.39 0.91 0.35 5.38 2.46 -1.26 -3.32 115.29 121.20 2kcm s HIS 28 Ca 0.01 -1.22 0.03 0.00 0.47 0.00 0.00 55.06 54.35 2kcm s HIS 28 Cb -0.17 -0.44 0.64 0.00 -0.13 0.00 0.00 32.58 32.48 2kcm s HIS 28 CO -0.02 -0.61 1.96 0.74 -2.47 0.00 0.00 174.74 174.34 2kcm h PHE 29 N 2.71 0.68 0.00 3.88 -1.00 -1.93 -1.41 116.94 119.87 2kcm h PHE 29 Ca -0.35 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.41 2kcm h PHE 29 Cb 1.22 -0.22 -0.00 0.00 3.61 0.00 0.00 35.95 40.57 2kcm h PHE 29 CO 0.40 0.51 -0.00 0.66 -1.61 0.00 0.00 178.31 178.26 2kcm h SER 30 N 0.69 0.00 0.35 2.17 4.64 -1.96 -0.67 113.55 118.76 2kcm h SER 30 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2kcm h SER 30 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2kcm h SER 30 CO -0.02 0.00 -0.75 -0.62 -0.87 0.00 0.00 176.83 174.57 2kcm n GLU 31 N -3.12 0.06 -3.36 4.77 -0.58 -0.54 -4.80 120.64 113.07 2kcm n GLU 31 Ca -0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.32 2kcm n GLU 31 Cb 0.14 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.40 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 -3.21 4.35 0.17 -4.62 1.43 -0.26 -2.67 118.68 113.86 2kcm s LEU 32 Ca 0.09 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 2kcm s LEU 32 Cb 0.16 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 44.03 2kcm s LEU 32 CO 0.77 -0.34 1.68 -0.07 0.23 0.00 0.00 176.35 178.61 2kcm h LEU 33 N 8.80 0.86 -8.58 1.79 -0.00 -1.87 -3.42 115.31 112.88 2kcm h LEU 33 Ca -0.30 -0.23 -0.68 0.00 -0.00 0.00 0.00 57.88 56.67 2kcm h LEU 33 Cb 1.14 -0.23 -0.29 0.00 -0.00 0.00 0.00 40.66 41.29 2kcm h LEU 33 CO 0.70 0.86 -0.84 -1.81 -0.00 0.00 0.00 178.44 177.36 2kcm s ASP 34 N -6.23 3.45 0.11 -0.43 1.01 -1.26 -4.99 116.67 108.33 2kcm s ASP 34 Ca -0.13 -0.42 0.25 0.00 0.71 0.00 0.00 52.55 52.97 2kcm s ASP 34 Cb 0.13 -1.04 0.97 0.00 1.01 0.00 0.00 42.92 43.98 2kcm s ASP 34 CO 0.81 0.24 1.79 0.29 0.21 0.00 0.00 175.17 178.51 2kcm n LYS 35 N 2.98 0.13 -0.19 8.23 4.01 -1.26 -3.41 118.16 128.64 2kcm n LYS 35 Ca -0.18 0.17 -0.09 0.00 -0.51 0.00 0.00 58.31 57.70 2kcm n LYS 35 Cb 0.52 -1.66 0.01 0.00 -0.51 0.00 0.00 35.03 33.39 2kcm n LYS 35 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2kcm h LYS 36 N 0.00 0.90 0.00 1.97 2.10 -1.98 -2.39 116.57 117.17 2kcm h LYS 36 Ca 0.00 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2kcm h LYS 36 Cb 0.54 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2kcm h LYS 36 CO 0.00 0.88 0.00 -0.25 -2.00 0.00 0.00 179.45 178.08 2kcm n ASP 37 N -4.35 0.00 -0.05 7.07 8.00 -1.22 -3.24 116.55 122.76 2kcm n ASP 37 Ca 0.02 0.26 -0.07 0.00 0.71 0.00 0.00 54.79 55.71 2kcm n ASP 37 Cb 0.28 -0.42 0.10 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 0.68 -0.00 -1.24 4.22 -1.55 -2.49 114.58 114.21 2kcm h GLU 38 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.14 2kcm h GLU 38 Cb 0.38 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kcm h GLU 38 CO 0.00 0.90 -0.22 0.41 -2.18 0.00 0.00 179.01 177.91 2kcm n GLY 39 N -0.16 -1.36 0.82 1.92 0.00 -1.20 -3.32 105.19 101.88 2kcm n GLY 39 Ca -0.01 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.47 2.06 -1.62 1.61 5.02 -0.97 -4.97 118.16 117.81 2kcm n LYS 40 Ca 0.07 -1.65 -0.40 0.00 -2.02 0.00 0.00 58.31 54.31 2kcm n LYS 40 Cb 0.33 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.97 3.07 -4.08 -0.35 4.77 -0.99 -4.98 117.00 115.41 2kcm n LEU 41 Ca 0.14 0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 56.78 2kcm n LEU 41 Cb 0.54 -1.38 -0.17 0.00 -2.33 0.00 0.00 43.42 40.09 2kcm n LEU 41 CO 0.17 -1.56 -0.50 0.54 -1.33 0.00 0.00 177.39 174.71 2kcm s VAL 42 N -1.36 1.61 -0.07 4.08 0.11 -1.26 -5.10 120.40 118.40 2kcm s VAL 42 Ca 0.67 -0.71 -0.13 0.00 -2.93 0.00 0.00 61.98 58.88 2kcm s VAL 42 Cb -0.50 -1.46 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 2kcm s VAL 42 CO 0.54 0.46 0.31 -0.75 -3.33 0.00 0.00 175.10 172.33 2kcm s LYS 43 N 0.95 3.89 0.00 1.54 2.36 -1.26 -4.26 119.74 122.97 2kcm s LYS 43 Ca -0.07 0.20 0.00 0.00 -2.55 0.00 0.00 55.97 53.55 2kcm s LYS 43 Cb -0.15 -3.27 0.00 0.00 -1.05 0.00 0.00 37.83 33.36 2kcm s LYS 43 CO -0.02 0.59 0.00 0.41 1.55 0.00 0.00 175.35 177.88 2kcm n GLY 44 N 2.29 0.69 0.00 5.54 0.00 -1.21 -5.05 105.19 107.46 2kcm n GLY 44 Ca -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2kcm n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kcm n SER 45 N 1.48 0.00 -4.80 1.61 2.88 -1.26 -5.02 113.62 108.50 2kcm n SER 45 Ca 0.00 -0.50 -0.39 0.00 -1.33 0.00 0.00 58.87 56.66 2kcm n SER 45 Cb 0.22 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.62 2kcm n SER 45 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2kcm s MET 46 N -0.49 4.26 0.08 -1.46 -1.94 -1.26 -2.65 119.30 115.84 2kcm s MET 46 Ca 0.00 0.80 0.01 0.00 -1.71 0.00 0.00 55.69 54.79 2kcm s MET 46 Cb 0.00 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 2kcm s MET 46 CO 0.00 0.63 -0.05 0.14 -0.01 0.00 0.00 175.02 175.72 2kcm s VAL 47 N -1.11 0.53 -0.07 -6.03 -7.23 -1.16 -4.58 120.40 100.75 2kcm s VAL 47 Ca 0.30 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 2kcm s VAL 47 Cb -0.20 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2kcm s VAL 47 CO 0.20 -0.91 -0.19 -1.00 -0.31 0.00 0.00 175.10 172.89 2kcm s HIS 48 N -3.68 2.00 0.15 2.82 3.76 -0.88 -3.88 115.29 115.58 2kcm s HIS 48 Ca 0.10 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.13 2kcm s HIS 48 Cb 0.06 -1.36 0.04 0.00 1.11 0.00 0.00 32.58 32.43 2kcm s HIS 48 CO -0.06 -0.28 0.46 -0.59 -0.85 0.00 0.00 174.74 173.41 2kcm s PHE 49 N 0.26 -0.23 0.08 1.40 -0.12 -1.26 -0.65 117.98 117.47 2kcm s PHE 49 Ca -0.11 -0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 2kcm s PHE 49 Cb -0.15 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2kcm s PHE 49 CO 0.05 -0.77 0.15 -0.51 -0.05 0.00 0.00 175.22 174.09 2kcm s ASP 50 N -2.81 5.94 0.74 1.98 1.01 -1.17 -5.01 116.67 117.35 2kcm s ASP 50 Ca 0.04 0.12 -0.11 0.00 0.71 0.00 0.00 52.55 53.31 2kcm s ASP 50 Cb 0.01 -1.72 0.04 0.00 1.01 0.00 0.00 42.92 42.26 2kcm s ASP 50 CO -0.10 0.16 1.08 -2.16 0.21 0.00 0.00 175.17 174.36 2kcm s PRO 51 N -2.55 2.50 -0.02 8.23 0.04 -1.26 -3.75 135.00 138.19 2kcm s PRO 51 Ca 0.32 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 2kcm s PRO 51 Cb -0.12 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2kcm s PRO 51 CO 0.25 -1.45 0.23 0.95 0.04 0.00 0.00 177.00 177.02 2kcm s THR 52 N -2.93 0.06 -0.01 1.26 -4.23 -1.25 -4.87 115.64 103.67 2kcm s THR 52 Ca 0.60 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 60.48 2kcm s THR 52 Cb -0.16 -0.51 -0.07 0.00 1.34 0.00 0.00 72.50 73.10 2kcm s THR 52 CO 0.55 -0.28 0.70 1.55 -0.54 0.00 0.00 174.62 176.60 2kcm h PRO 53 N 4.24 -0.42 -3.62 3.99 0.13 -1.98 -3.40 132.00 130.94 2kcm h PRO 53 Ca -0.30 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kcm h PRO 53 Cb 1.19 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kcm h PRO 53 CO 0.40 -0.28 -0.84 0.25 -0.23 0.00 0.00 178.00 177.29 2kcm n THR 54 N -4.00 -3.30 -1.52 1.56 -2.24 -1.26 -4.25 114.28 99.28 2kcm n THR 54 Ca -0.05 1.58 -0.39 0.00 -2.27 0.00 0.00 64.05 62.92 2kcm n THR 54 Cb 0.17 -2.43 -0.05 0.00 -2.10 0.00 0.00 70.33 65.93 2kcm n THR 54 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2kcm n PRO 55 N -2.01 1.72 -2.77 -0.78 -0.04 -1.26 -4.44 135.00 125.42 2kcm n PRO 55 Ca 0.00 -2.15 -0.01 0.00 -0.04 0.00 0.00 63.50 61.30 2kcm n PRO 55 Cb 0.28 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 2kcm n PRO 55 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2kcm n LYS 56 N 7.35 -3.19 0.00 0.54 3.00 -1.26 -4.89 118.16 119.71 2kcm n LYS 56 Ca 0.49 2.60 0.00 0.00 -0.00 0.00 0.00 58.31 61.40 2kcm n LYS 56 Cb 0.42 -5.15 0.00 0.00 0.00 0.00 0.00 35.03 30.31 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kcm n GLY 57 N 0.62 0.15 1.52 3.14 0.00 -1.26 -5.14 105.19 104.22 2kcm n GLY 57 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.51 -3.60 0.99 4.77 -1.26 -4.60 117.00 111.79 2kcm n LEU 58 Ca 0.00 2.71 -0.13 0.00 -0.03 0.00 0.00 56.01 58.57 2kcm n LEU 58 Cb 0.00 -3.06 -0.05 0.00 -2.33 0.00 0.00 43.42 37.98 2kcm n LEU 58 CO 0.00 -1.10 0.23 0.00 -1.33 0.00 0.00 177.39 175.19 2kcm s ALA 59 N -5.15 -1.18 -0.77 -1.18 0.00 -1.26 -3.82 121.76 108.39 2kcm s ALA 59 Ca 0.00 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 2kcm s ALA 59 Cb 0.00 0.49 0.20 0.00 0.00 0.00 0.00 23.12 23.81 2kcm s ALA 59 CO 0.00 -0.55 0.65 0.00 0.00 0.00 0.00 175.76 175.86 2kcm s ALA 60 N -2.87 3.94 0.22 0.00 0.00 -1.18 -3.96 121.76 117.91 2kcm s ALA 60 Ca -0.03 -3.43 -0.12 0.00 0.00 0.00 0.00 51.96 48.38 2kcm s ALA 60 Cb -0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 2kcm s ALA 60 CO -0.05 -2.18 0.58 0.21 0.00 0.00 0.00 175.76 174.32 2kcm s LYS 61 N -0.30 3.90 -0.92 0.00 2.20 -1.25 -4.36 119.74 119.00 2kcm s LYS 61 Ca 0.20 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.18 2kcm s LYS 61 Cb -0.14 -2.70 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 2kcm s LYS 61 CO -0.07 0.34 0.80 0.00 -0.36 0.00 0.00 175.35 176.06 2kcm n ALA 62 N 0.12 -2.12 -2.71 3.13 0.00 -1.09 -3.04 120.51 114.80 2kcm n ALA 62 Ca -0.01 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2kcm n ALA 62 Cb 0.52 -4.51 -0.04 0.00 0.00 0.00 0.00 19.45 15.43 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 -3.33 4.92 -0.05 0.00 1.01 -1.26 -4.20 121.20 118.30 2kcm s ILE 63 Ca 0.32 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.80 2kcm s ILE 63 Cb -0.04 -4.22 0.03 0.00 0.01 0.00 0.00 42.46 38.24 2kcm s ILE 63 CO 0.63 0.17 -0.02 -0.44 0.00 0.00 0.00 174.94 175.29 2kcm s SER 64 N 0.95 1.02 -0.05 3.58 0.01 0.18 -4.94 113.70 114.44 2kcm s SER 64 Ca 0.46 -0.08 -0.20 0.00 1.31 0.00 0.00 55.95 57.44 2kcm s SER 64 Cb -0.19 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.61 2kcm s SER 64 CO 0.23 -0.12 0.58 -1.48 0.41 0.00 0.00 173.24 172.87 2kcm s LEU 65 N 1.31 4.35 0.00 2.44 0.05 -1.26 -2.08 118.68 123.49 2kcm s LEU 65 Ca -0.05 1.06 0.24 0.00 0.05 0.00 0.00 54.13 55.42 2kcm s LEU 65 Cb -0.13 -2.89 1.02 0.00 -2.05 0.00 0.00 46.19 42.14 2kcm s LEU 65 CO -0.02 0.02 1.76 -0.81 -0.55 0.00 0.00 176.35 176.75 2kcm n PRO 66 N 3.25 0.02 -3.59 1.48 -0.04 -1.26 -4.73 135.00 130.14 2kcm n PRO 66 Ca -0.06 0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.13 2kcm n PRO 66 Cb 0.51 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.97 4.25 0.00 1.53 1.43 -1.26 -4.95 118.68 116.71 2kcm s LEU 67 Ca 0.12 0.47 0.18 0.00 -1.03 0.00 0.00 54.13 53.87 2kcm s LEU 67 Cb 0.15 -2.31 0.52 0.00 0.03 0.00 0.00 46.19 44.58 2kcm s LEU 67 CO 0.43 0.14 1.42 -0.62 0.23 0.00 0.00 176.35 177.94 2kcm n GLU 68 N 3.44 2.06 -3.60 1.70 4.71 -1.26 -4.94 120.64 122.75 2kcm n GLU 68 Ca -0.13 -1.63 -0.25 0.00 -0.01 0.00 0.00 57.16 55.14 2kcm n GLU 68 Cb 0.52 -1.40 0.04 0.00 -1.01 0.00 0.00 31.44 29.59 2kcm n GLU 68 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kcm n HIS 69 N 0.83 -2.03 -0.56 -0.32 -0.00 -1.26 -4.67 115.22 107.21 2kcm n HIS 69 Ca 0.17 0.65 0.07 0.00 -0.00 0.00 0.00 57.72 58.61 2kcm n HIS 69 Cb 0.42 -3.83 -0.02 0.00 -0.00 0.00 0.00 29.99 26.55 2kcm n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcm n HIS 70 N -3.99 -1.38 0.00 1.57 8.25 -1.26 -4.50 115.22 113.91 2kcm n HIS 70 Ca -0.14 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 2kcm n HIS 70 Cb 0.62 -1.25 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2kcm n HIS 70 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcm n HIS 71 N -1.97 0.00 -3.30 4.41 -0.00 -1.26 -4.91 115.22 108.20 2kcm n HIS 71 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 2kcm n HIS 71 Cb 0.56 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.58 2kcm n HIS 71 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kcm n HIS 72 N -0.53 -1.98 -0.18 4.41 8.25 -1.26 -4.84 115.22 119.09 2kcm n HIS 72 Ca 0.00 0.83 -0.10 0.00 -0.26 0.00 0.00 57.72 58.19 2kcm n HIS 72 Cb 0.00 -1.49 0.01 0.00 1.12 0.00 0.00 29.99 29.63 2kcm n HIS 72 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kcm h HIS 73 N 2.29 1.07 0.00 4.41 -0.00 -1.96 -3.52 115.15 117.45 2kcm h HIS 73 Ca -0.43 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.74 2kcm h HIS 73 Cb 1.25 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2kcm h HIS 73 CO 0.00 0.99 0.00 -2.39 -0.00 0.00 0.00 177.93 176.53