#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 0.58 0.00 0.03 -2.85 -1.26 -3.37 119.74 112.87 2kcm s LYS 2 Ca 0.00 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.05 2kcm s LYS 2 Cb 0.00 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 2kcm s LYS 2 CO 0.00 -0.13 0.00 0.41 0.10 0.00 0.00 175.35 175.73 2kcm n GLY 3 N 0.56 2.05 3.02 0.59 0.00 -0.79 -3.57 105.19 107.06 2kcm n GLY 3 Ca -0.17 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 2kcm n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kcm s LYS 4 N -1.13 0.93 -0.14 1.61 2.20 0.98 -0.95 119.74 123.24 2kcm s LYS 4 Ca 0.00 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 2kcm s LYS 4 Cb 0.00 -0.88 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 2kcm s LYS 4 CO 0.00 0.16 1.19 0.54 -0.36 0.00 0.00 175.35 176.87 2kcm s VAL 5 N 0.03 4.38 -0.13 4.02 0.11 -1.10 0.50 120.40 128.20 2kcm s VAL 5 Ca -0.00 1.68 0.06 0.00 -2.93 0.00 0.00 61.98 60.78 2kcm s VAL 5 Cb -0.07 -4.08 -0.23 0.00 -1.53 0.00 0.00 36.38 30.47 2kcm s VAL 5 CO 0.00 -0.09 0.32 0.55 -3.33 0.00 0.00 175.10 172.56 2kcm n VAL 6 N 5.06 1.61 -3.57 2.04 3.14 -1.18 -3.94 118.33 121.49 2kcm n VAL 6 Ca 0.12 -0.73 -0.11 0.00 -2.96 0.00 0.00 64.34 60.67 2kcm n VAL 6 Cb 0.46 -1.23 -0.03 0.00 -1.06 0.00 0.00 33.84 31.98 2kcm n VAL 6 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2kcm s SER 7 N -6.36 -0.36 -0.35 6.55 1.04 -1.10 -4.89 113.70 108.22 2kcm s SER 7 Ca -0.16 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.09 2kcm s SER 7 Cb 0.07 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.92 2kcm s SER 7 CO 0.77 -0.92 0.70 -0.47 0.98 0.00 0.00 173.24 174.30 2kcm s TYR 8 N -3.79 -1.52 -0.35 5.02 5.04 -1.26 -2.31 117.35 118.17 2kcm s TYR 8 Ca 0.03 0.50 -0.12 0.00 -2.44 0.00 0.00 57.07 55.04 2kcm s TYR 8 Cb 0.00 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.59 2kcm s TYR 8 CO -0.11 -0.97 0.22 -0.51 -1.34 0.00 0.00 175.55 172.83 2kcm s LEU 9 N 2.26 4.55 0.19 6.97 1.02 -0.71 -4.93 118.68 128.02 2kcm s LEU 9 Ca 0.15 -0.64 0.25 0.00 0.02 0.00 0.00 54.13 53.91 2kcm s LEU 9 Cb -0.05 -2.08 0.90 0.00 0.02 0.00 0.00 46.19 44.97 2kcm s LEU 9 CO -0.15 -0.29 1.76 0.00 0.02 0.00 0.00 176.35 177.70 2kcm n ALA 10 N 5.06 2.10 -0.09 4.21 0.00 -1.26 -1.89 120.51 128.64 2kcm n ALA 10 Ca -0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 2kcm n ALA 10 Cb 0.48 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 2kcm n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kcm h ALA 11 N 2.51 -0.42 -0.48 0.00 0.00 -1.91 -0.01 119.26 118.95 2kcm h ALA 11 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kcm h ALA 11 Cb 0.59 0.95 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kcm h ALA 11 CO 0.00 -0.55 0.00 1.17 0.00 0.00 0.00 179.25 179.87 2kcm n LYS 12 N -3.82 3.51 -3.43 0.00 3.00 -1.26 -4.92 118.16 111.24 2kcm n LYS 12 Ca -0.01 -2.31 -0.20 0.00 -0.00 0.00 0.00 58.31 55.79 2kcm n LYS 12 Cb 0.13 -1.90 0.06 0.00 0.00 0.00 0.00 35.03 33.32 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kcm n LYS 13 N 0.67 -2.73 -3.88 1.64 5.02 -0.02 -5.01 118.16 113.86 2kcm n LYS 13 Ca 0.21 0.73 -0.09 0.00 -2.02 0.00 0.00 58.31 57.13 2kcm n LYS 13 Cb 0.83 -5.32 -0.05 0.00 -0.02 0.00 0.00 35.03 30.47 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 -3.44 0.17 0.05 2.13 1.13 -0.79 -4.59 117.35 112.01 2kcm s TYR 14 Ca 0.37 -0.53 -0.27 0.00 -1.41 0.00 0.00 57.07 55.22 2kcm s TYR 14 Cb -0.08 0.19 0.10 0.00 -1.10 0.00 0.00 41.96 41.07 2kcm s TYR 14 CO 0.78 -0.87 1.19 0.20 -2.51 0.00 0.00 175.55 174.34 2kcm s GLY 15 N -2.94 -0.21 0.06 5.49 0.00 -1.24 -1.73 107.32 106.74 2kcm s GLY 15 Ca 0.15 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.14 2kcm s GLY 15 CO 0.01 1.89 -0.11 -1.36 0.00 0.00 0.00 173.10 173.54 2kcm s PHE 16 N -2.41 0.93 -0.04 1.90 0.08 -0.98 -1.70 117.98 115.75 2kcm s PHE 16 Ca 0.19 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.75 2kcm s PHE 16 Cb 0.01 -0.53 0.01 0.00 -0.57 0.00 0.00 43.02 41.94 2kcm s PHE 16 CO -0.00 -0.02 -0.09 0.42 -0.10 0.00 0.00 175.22 175.43 2kcm s ILE 17 N -1.48 0.80 -0.35 0.64 1.01 -0.83 -2.69 121.20 118.30 2kcm s ILE 17 Ca -0.05 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 2kcm s ILE 17 Cb -0.09 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 2kcm s ILE 17 CO 0.01 0.26 0.56 -1.58 0.00 0.00 0.00 174.94 174.19 2kcm s GLN 18 N 0.47 3.66 0.65 2.79 2.00 0.18 -1.48 119.66 127.94 2kcm s GLN 18 Ca -0.08 -0.06 -0.12 0.00 -2.00 0.00 0.00 55.36 53.10 2kcm s GLN 18 Cb -0.12 -3.80 -0.01 0.00 0.80 0.00 0.00 33.01 29.88 2kcm s GLN 18 CO 0.01 -0.66 1.05 0.20 -0.50 0.00 0.00 175.29 175.39 2kcm s GLY 19 N 1.76 1.81 0.52 2.59 0.00 -0.36 -0.02 107.32 113.62 2kcm s GLY 19 Ca 0.21 0.15 0.29 0.00 0.00 0.00 0.00 44.72 45.36 2kcm s GLY 19 CO 0.14 0.45 2.02 1.29 0.00 0.00 0.00 173.10 177.00 2kcm h ASP 20 N -0.28 0.00 -0.20 1.64 2.03 -1.86 -1.69 116.42 116.05 2kcm h ASP 20 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2kcm h ASP 20 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2kcm h ASP 20 CO 0.58 0.12 0.00 0.47 -1.03 0.00 0.00 179.24 179.38 2kcm n ASP 21 N -3.46 1.75 0.00 4.15 8.00 -1.26 -4.87 116.55 120.87 2kcm n ASP 21 Ca -0.01 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.73 2kcm n ASP 21 Cb 0.28 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 1.13 0.59 3.59 0.44 0.00 -0.64 -5.03 105.19 105.28 2kcm n GLY 22 Ca 0.16 -0.44 -0.38 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 -0.92 3.96 0.55 1.61 0.41 -1.25 -4.83 118.70 118.22 2kcm s GLU 23 Ca 0.00 -0.30 -0.16 0.00 -0.41 0.00 0.00 54.97 54.11 2kcm s GLU 23 Cb 0.00 -3.65 -0.06 0.00 -1.78 0.00 0.00 34.13 28.63 2kcm s GLU 23 CO 0.00 -0.17 1.01 -1.54 -0.49 0.00 0.00 175.26 174.07 2kcm s SER 24 N 1.72 6.35 -0.01 -0.19 1.04 -1.26 -1.22 113.70 120.12 2kcm s SER 24 Ca 0.08 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.14 2kcm s SER 24 Cb -0.16 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.46 2kcm s SER 24 CO 0.11 -0.78 -0.01 -0.31 0.98 0.00 0.00 173.24 173.23 2kcm s TYR 25 N -2.63 0.24 0.33 5.02 2.02 -0.55 -4.67 117.35 117.11 2kcm s TYR 25 Ca 0.60 -0.01 -0.27 0.00 -0.37 0.00 0.00 57.07 57.02 2kcm s TYR 25 Cb -0.12 -0.25 -0.09 0.00 -0.40 0.00 0.00 41.96 41.10 2kcm s TYR 25 CO 0.35 -0.06 1.05 0.12 -1.57 0.00 0.00 175.55 175.44 2kcm s PHE 26 N 0.45 3.49 -0.14 2.71 5.36 0.13 -1.97 117.98 128.02 2kcm s PHE 26 Ca -0.04 1.70 -0.04 0.00 -0.96 0.00 0.00 56.93 57.59 2kcm s PHE 26 Cb -0.07 -3.17 -0.03 0.00 -0.34 0.00 0.00 43.02 39.41 2kcm s PHE 26 CO -0.01 -0.44 -0.02 -1.17 -1.46 0.00 0.00 175.22 172.12 2kcm s LEU 27 N -1.97 3.38 0.03 6.12 0.20 -0.69 -1.17 118.68 124.58 2kcm s LEU 27 Ca 0.50 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 55.30 2kcm s LEU 27 Cb -0.26 -1.81 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 2kcm s LEU 27 CO 0.33 0.21 -0.09 -2.28 -0.29 0.00 0.00 176.35 174.24 2kcm s HIS 28 N 0.10 0.77 0.19 5.38 5.65 -1.26 -3.71 115.29 122.42 2kcm s HIS 28 Ca 0.00 -0.34 -0.11 0.00 0.25 0.00 0.00 55.06 54.86 2kcm s HIS 28 Cb -0.13 -0.47 0.12 0.00 -1.18 0.00 0.00 32.58 30.92 2kcm s HIS 28 CO 0.02 -0.03 1.79 0.74 -0.65 0.00 0.00 174.74 176.61 2kcm h PHE 29 N 5.04 0.97 0.00 3.88 -1.00 -1.99 -1.36 116.94 122.48 2kcm h PHE 29 Ca -0.34 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.40 2kcm h PHE 29 Cb 1.19 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.45 2kcm h PHE 29 CO 0.55 0.72 0.00 1.03 -1.61 0.00 0.00 178.31 178.99 2kcm h SER 30 N 0.95 0.00 0.02 2.17 0.87 -1.96 0.58 113.55 116.17 2kcm h SER 30 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2kcm h SER 30 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kcm h SER 30 CO -0.03 0.00 -0.02 -0.62 -0.53 0.00 0.00 176.83 175.62 2kcm n GLU 31 N -2.85 1.51 0.00 2.24 4.71 -0.52 -3.43 120.64 122.30 2kcm n GLU 31 Ca -0.02 -0.82 0.13 0.00 -0.01 0.00 0.00 57.16 56.45 2kcm n GLU 31 Cb 0.12 -1.48 0.43 0.00 -1.01 0.00 0.00 31.44 29.50 2kcm n GLU 31 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2kcm n LEU 32 N -0.02 1.22 0.00 -4.62 4.77 0.19 -1.51 117.00 117.03 2kcm n LEU 32 Ca 0.19 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2kcm n LEU 32 Cb 0.33 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2kcm n LEU 32 CO 0.18 0.22 0.00 0.18 -1.33 0.00 0.00 177.39 176.63 2kcm n LEU 33 N -0.32 0.00 -4.22 2.23 4.77 -1.22 -4.35 117.00 113.88 2kcm n LEU 33 Ca 0.15 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.75 2kcm n LEU 33 Cb 0.35 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2kcm n LEU 33 CO 0.22 0.00 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.47 2kcm s ASP 34 N -0.17 5.36 0.15 -1.43 -1.08 -1.26 -4.93 116.67 113.31 2kcm s ASP 34 Ca 0.00 -1.51 0.08 0.00 -0.52 0.00 0.00 52.55 50.61 2kcm s ASP 34 Cb 0.00 -1.88 0.45 0.00 -1.46 0.00 0.00 42.92 40.03 2kcm s ASP 34 CO 0.00 -0.45 1.19 0.29 0.52 0.00 0.00 175.17 176.72 2kcm n LYS 35 N 4.77 0.05 -0.11 4.34 5.02 -1.26 -1.48 118.16 129.50 2kcm n LYS 35 Ca -0.09 0.51 -0.02 0.00 -2.02 0.00 0.00 58.31 56.68 2kcm n LYS 35 Cb 0.43 -1.78 0.21 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.78 0.00 1.97 1.57 -1.91 -1.17 116.57 117.81 2kcm h LYS 36 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2kcm h LYS 36 Cb 0.20 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2kcm h LYS 36 CO 0.00 0.71 0.00 -0.25 -0.57 0.00 0.00 179.45 179.34 2kcm n ASP 37 N -4.28 0.00 -0.29 0.86 8.00 -0.55 -3.50 116.55 116.79 2kcm n ASP 37 Ca 0.04 -0.10 0.04 0.00 0.71 0.00 0.00 54.79 55.48 2kcm n ASP 37 Cb 0.22 -0.28 0.26 0.00 -0.02 0.00 0.00 41.12 41.30 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 0.96 -0.00 -1.24 4.81 -1.34 0.77 114.58 118.53 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 0.24 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2kcm h GLU 38 CO 0.00 0.63 -0.09 0.41 -0.73 0.00 0.00 179.01 179.24 2kcm n GLY 39 N -1.40 -1.34 0.77 1.92 0.00 -1.23 -3.09 105.19 100.82 2kcm n GLY 39 Ca 0.13 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.38 2.07 -1.90 1.61 5.02 0.23 -4.95 118.16 118.87 2kcm n LYS 40 Ca 0.09 -1.56 -0.35 0.00 -2.02 0.00 0.00 58.31 54.48 2kcm n LYS 40 Cb 0.31 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.99 3.55 -0.09 -0.35 1.43 -1.02 -4.92 118.68 115.28 2kcm s LEU 41 Ca 0.32 2.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.69 2kcm s LEU 41 Cb 0.20 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.85 2kcm s LEU 41 CO 0.31 -1.64 -0.20 0.54 0.23 0.00 0.00 176.35 175.59 2kcm s VAL 42 N -1.89 1.75 -0.06 -1.59 0.11 -1.26 -5.10 120.40 112.35 2kcm s VAL 42 Ca 0.73 -0.84 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 2kcm s VAL 42 Cb -0.26 -1.53 -0.05 0.00 -1.53 0.00 0.00 36.38 33.01 2kcm s VAL 42 CO 0.36 0.49 0.31 -0.75 -3.33 0.00 0.00 175.10 172.18 2kcm s LYS 43 N 0.46 3.83 0.00 1.54 2.20 -1.26 -4.25 119.74 122.25 2kcm s LYS 43 Ca -0.17 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 2kcm s LYS 43 Cb -0.17 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2kcm s LYS 43 CO 0.07 0.64 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 2kcm n GLY 44 N 2.13 0.44 3.22 5.54 0.00 -1.25 -5.05 105.19 110.23 2kcm n GLY 44 Ca -0.15 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 2kcm n GLY 44 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kcm s SER 45 N -2.94 0.58 0.30 1.61 0.15 -1.26 -5.01 113.70 107.13 2kcm s SER 45 Ca 0.00 -1.49 -0.28 0.00 0.70 0.00 0.00 55.95 54.87 2kcm s SER 45 Cb 0.00 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 2kcm s SER 45 CO 0.00 -0.90 1.04 -0.04 1.20 0.00 0.00 173.24 174.54 2kcm s MET 46 N -3.96 4.59 0.13 5.44 -1.94 -1.26 -2.73 119.30 119.57 2kcm s MET 46 Ca 0.40 1.63 0.02 0.00 -1.71 0.00 0.00 55.69 56.03 2kcm s MET 46 Cb 0.06 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 2kcm s MET 46 CO 0.16 0.22 -0.04 0.14 -0.01 0.00 0.00 175.02 175.49 2kcm s VAL 47 N -1.30 0.71 -0.10 -6.03 -7.23 -0.12 -4.62 120.40 101.71 2kcm s VAL 47 Ca 0.47 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 2kcm s VAL 47 Cb -0.27 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2kcm s VAL 47 CO 0.35 -0.70 -0.21 -2.28 -0.31 0.00 0.00 175.10 171.95 2kcm s HIS 48 N -3.62 2.31 0.10 2.82 2.46 -1.10 -1.88 115.29 116.37 2kcm s HIS 48 Ca 0.17 -0.95 -0.14 0.00 0.47 0.00 0.00 55.06 54.61 2kcm s HIS 48 Cb 0.05 -1.57 0.02 0.00 -0.13 0.00 0.00 32.58 30.96 2kcm s HIS 48 CO -0.01 -0.40 0.33 -0.59 -2.47 0.00 0.00 174.74 171.60 2kcm s PHE 49 N 0.46 -0.10 -0.01 3.88 -0.12 -1.22 -0.70 117.98 120.18 2kcm s PHE 49 Ca -0.17 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.44 2kcm s PHE 49 Cb -0.17 0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 42.32 2kcm s PHE 49 CO 0.07 -0.63 0.26 0.34 -0.05 0.00 0.00 175.22 175.22 2kcm s ASP 50 N -2.67 6.50 0.37 1.98 -1.08 -0.63 -3.68 116.67 117.46 2kcm s ASP 50 Ca 0.02 0.58 -0.27 0.00 -0.52 0.00 0.00 52.55 52.36 2kcm s ASP 50 Cb 0.02 -2.10 -0.09 0.00 -1.46 0.00 0.00 42.92 39.29 2kcm s ASP 50 CO -0.10 0.28 1.28 -2.16 0.52 0.00 0.00 175.17 174.98 2kcm s PRO 51 N -1.63 4.14 -0.39 4.34 0.04 -1.26 -1.52 135.00 138.72 2kcm s PRO 51 Ca 0.26 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2kcm s PRO 51 Cb -0.13 -2.88 0.17 0.00 0.04 0.00 0.00 34.50 31.70 2kcm s PRO 51 CO 0.15 -0.33 0.49 0.99 0.04 0.00 0.00 177.00 178.34 2kcm s THR 52 N -1.23 -0.64 0.35 1.26 2.01 -1.09 -4.79 115.64 111.50 2kcm s THR 52 Ca 0.54 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2kcm s THR 52 Cb -0.37 -0.38 -0.12 0.00 0.01 0.00 0.00 72.50 71.63 2kcm s THR 52 CO 0.49 -0.31 1.27 -2.65 -0.69 0.00 0.00 174.62 172.72 2kcm n PRO 53 N 4.35 2.06 -4.08 4.92 -0.02 -1.26 -3.80 135.00 137.18 2kcm n PRO 53 Ca 0.11 0.72 -0.07 0.00 -2.02 0.00 0.00 63.50 62.24 2kcm n PRO 53 Cb 0.51 -2.31 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 2kcm n PRO 53 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2kcm s THR 54 N -1.11 0.21 0.37 3.45 -4.23 -1.20 -4.95 115.64 108.18 2kcm s THR 54 Ca 0.56 -1.77 0.18 0.00 -1.18 0.00 0.00 61.69 59.48 2kcm s THR 54 Cb -0.57 -1.54 0.38 0.00 1.34 0.00 0.00 72.50 72.11 2kcm s THR 54 CO 0.62 -0.94 1.69 -0.65 -0.54 0.00 0.00 174.62 174.80 2kcm h PRO 55 N 3.10 0.32 -0.64 3.99 0.11 -2.00 0.26 132.00 137.15 2kcm h PRO 55 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 2kcm h PRO 55 Cb 1.15 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2kcm h PRO 55 CO 0.65 0.21 0.18 0.87 -0.21 0.00 0.00 178.00 179.70 2kcm h LYS 56 N 0.33 1.00 0.00 1.05 1.57 -2.00 -3.48 116.57 115.04 2kcm h LYS 56 Ca 0.70 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2kcm h LYS 56 Cb 1.75 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.92 2kcm h LYS 56 CO -0.46 0.89 0.00 0.41 -0.57 0.00 0.00 179.45 179.72 2kcm n GLY 57 N -0.69 0.03 3.43 3.86 0.00 0.92 -5.09 105.19 107.64 2kcm n GLY 57 Ca 0.04 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 2.75 -0.03 0.99 1.43 -1.26 -3.27 118.68 119.29 2kcm s LEU 58 Ca 0.00 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 2kcm s LEU 58 Cb 0.00 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.65 2kcm s LEU 58 CO 0.00 0.26 0.31 0.00 0.23 0.00 0.00 176.35 177.14 2kcm s ALA 59 N -0.19 -0.78 -0.14 4.21 0.00 -1.25 0.22 121.76 123.83 2kcm s ALA 59 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 2kcm s ALA 59 Cb -0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2kcm s ALA 59 CO 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 175.76 175.58 2kcm s ALA 60 N -1.13 3.33 0.03 0.00 0.00 -0.32 -2.67 121.76 121.00 2kcm s ALA 60 Ca -0.12 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2kcm s ALA 60 Cb -0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2kcm s ALA 60 CO 0.04 0.35 -0.23 0.21 0.00 0.00 0.00 175.76 176.13 2kcm s LYS 61 N -0.13 1.97 -0.99 0.00 2.20 -0.58 -4.66 119.74 117.56 2kcm s LYS 61 Ca 0.06 -1.02 -0.07 0.00 -0.36 0.00 0.00 55.97 54.57 2kcm s LYS 61 Cb -0.12 -2.08 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 2kcm s LYS 61 CO 0.02 0.53 0.84 0.00 -0.36 0.00 0.00 175.35 176.38 2kcm n ALA 62 N 1.81 -2.51 -1.97 3.13 0.00 -0.57 -1.61 120.51 118.78 2kcm n ALA 62 Ca -0.17 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2kcm n ALA 62 Cb 0.52 -4.45 -0.04 0.00 0.00 0.00 0.00 19.45 15.48 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 -3.31 3.82 0.13 0.00 1.01 -1.23 -4.15 121.20 117.47 2kcm s ILE 63 Ca 0.35 1.64 0.03 0.00 0.00 0.00 0.00 60.65 62.68 2kcm s ILE 63 Cb -0.07 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2kcm s ILE 63 CO 0.77 0.32 -0.09 -0.94 0.00 0.00 0.00 174.94 175.00 2kcm s SER 64 N -0.37 1.56 -0.47 3.58 1.04 0.12 -4.97 113.70 114.20 2kcm s SER 64 Ca 0.47 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 2kcm s SER 64 Cb -0.29 0.03 0.12 0.00 0.10 0.00 0.00 66.02 65.98 2kcm s SER 64 CO 0.36 -0.38 0.29 -1.48 0.98 0.00 0.00 173.24 173.00 2kcm s LEU 65 N -3.13 5.40 0.40 2.42 2.34 -1.26 -2.72 118.68 122.12 2kcm s LEU 65 Ca 0.16 -2.14 0.16 0.00 0.06 0.00 0.00 54.13 52.36 2kcm s LEU 65 Cb 0.04 -1.89 1.03 0.00 -0.56 0.00 0.00 46.19 44.80 2kcm s LEU 65 CO -0.01 -0.56 1.83 -0.65 -1.06 0.00 0.00 176.35 175.91 2kcm h PRO 66 N 7.99 0.45 -6.37 1.48 0.11 -1.93 -3.39 132.00 130.34 2kcm h PRO 66 Ca -0.13 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.41 2kcm h PRO 66 Cb 1.04 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2kcm h PRO 66 CO 0.75 0.30 0.51 -0.51 -0.21 0.00 0.00 178.00 178.84 2kcm s LEU 67 N -9.58 4.33 -0.20 2.35 1.02 -1.26 -5.01 118.68 110.32 2kcm s LEU 67 Ca -0.09 1.73 -0.13 0.00 0.02 0.00 0.00 54.13 55.67 2kcm s LEU 67 Cb 0.23 -3.57 -0.05 0.00 0.02 0.00 0.00 46.19 42.83 2kcm s LEU 67 CO 0.79 -0.41 0.26 -1.61 0.02 0.00 0.00 176.35 175.40 2kcm s GLU 68 N 1.47 4.17 -0.25 1.70 8.01 -1.26 -5.06 118.70 127.47 2kcm s GLU 68 Ca 0.53 -0.04 -0.17 0.00 0.01 0.00 0.00 54.97 55.30 2kcm s GLU 68 Cb -0.23 -3.49 -0.03 0.00 -4.31 0.00 0.00 34.13 26.07 2kcm s GLU 68 CO 0.25 0.11 0.47 -1.58 0.01 0.00 0.00 175.26 174.52 2kcm s HIS 69 N 0.88 3.29 0.17 1.61 2.46 -1.26 -5.05 115.29 117.38 2kcm s HIS 69 Ca 0.13 0.59 -0.11 0.00 0.47 0.00 0.00 55.06 56.14 2kcm s HIS 69 Cb -0.13 -2.66 0.00 0.00 -0.13 0.00 0.00 32.58 29.66 2kcm s HIS 69 CO 0.04 -0.22 0.34 -1.01 -2.47 0.00 0.00 174.74 171.43 2kcm s HIS 70 N 2.06 0.26 0.07 3.88 3.76 -1.26 -5.13 115.29 118.93 2kcm s HIS 70 Ca 0.20 -0.62 -0.31 0.00 -0.15 0.00 0.00 55.06 54.18 2kcm s HIS 70 Cb -0.16 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.53 2kcm s HIS 70 CO 0.09 -0.76 1.22 -1.01 -0.85 0.00 0.00 174.74 173.43 2kcm s HIS 71 N -3.94 3.42 0.33 1.40 3.76 -1.26 -5.01 115.29 113.99 2kcm s HIS 71 Ca 0.15 1.27 -0.17 0.00 -0.15 0.00 0.00 55.06 56.15 2kcm s HIS 71 Cb 0.02 -3.45 -0.09 0.00 1.11 0.00 0.00 32.58 30.17 2kcm s HIS 71 CO -0.01 -1.39 0.78 -3.38 -0.85 0.00 0.00 174.74 169.89 2kcm s HIS 72 N 1.05 3.40 0.38 1.40 -3.43 -1.26 -5.03 115.29 111.80 2kcm s HIS 72 Ca 0.59 1.33 -0.26 0.00 -0.80 0.00 0.00 55.06 55.92 2kcm s HIS 72 Cb -0.30 -2.62 -0.09 0.00 -1.43 0.00 0.00 32.58 28.14 2kcm s HIS 72 CO 0.29 0.08 1.22 -3.38 -2.00 0.00 0.00 174.74 170.95 2kcm s HIS 73 N -1.96 3.05 0.00 0.38 -3.43 -1.26 -5.36 115.29 106.71 2kcm s HIS 73 Ca 0.54 1.51 0.00 0.00 -0.80 0.00 0.00 55.06 56.31 2kcm s HIS 73 Cb -0.11 -3.50 0.00 0.00 -1.43 0.00 0.00 32.58 27.54 2kcm s HIS 73 CO 0.17 -1.52 0.00 -2.39 -2.00 0.00 0.00 174.74 169.00