#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 1.13 0.00 0.03 2.20 -1.26 -1.27 119.74 120.57 2kcm s LYS 2 Ca 0.00 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2kcm s LYS 2 Cb 0.00 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.25 2kcm s LYS 2 CO 0.00 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 2kcm n GLY 3 N 2.91 3.59 3.02 5.54 0.00 -1.19 -3.56 105.19 115.52 2kcm n GLY 3 Ca -0.15 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 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 1.63 0.77 -0.21 1.61 1.02 -0.26 -2.02 119.74 122.29 2kcm s LYS 4 Ca 0.00 -0.33 -0.26 0.00 0.02 0.00 0.00 55.97 55.40 2kcm s LYS 4 Cb 0.00 -0.74 -0.00 0.00 -0.52 0.00 0.00 37.83 36.56 2kcm s LYS 4 CO 0.00 0.19 0.91 0.54 -0.92 0.00 0.00 175.35 176.07 2kcm s VAL 5 N -0.17 4.80 -0.08 3.17 0.11 -1.08 0.09 120.40 127.23 2kcm s VAL 5 Ca 0.03 1.76 0.07 0.00 -2.93 0.00 0.00 61.98 60.91 2kcm s VAL 5 Cb -0.04 -4.20 -0.24 0.00 -1.53 0.00 0.00 36.38 30.37 2kcm s VAL 5 CO -0.00 -0.07 0.52 0.55 -3.33 0.00 0.00 175.10 172.76 2kcm n VAL 6 N 5.09 1.64 -3.67 2.04 3.14 -1.21 -3.79 118.33 121.57 2kcm n VAL 6 Ca 0.07 -0.76 -0.14 0.00 -2.96 0.00 0.00 64.34 60.55 2kcm n VAL 6 Cb 0.47 -1.20 -0.08 0.00 -1.06 0.00 0.00 33.84 31.98 2kcm n VAL 6 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2kcm s SER 7 N -6.32 -0.47 -0.33 6.55 0.15 -0.99 -4.88 113.70 107.40 2kcm s SER 7 Ca -0.11 0.72 0.06 0.00 0.70 0.00 0.00 55.95 57.32 2kcm s SER 7 Cb 0.07 0.74 0.19 0.00 -1.71 0.00 0.00 66.02 65.32 2kcm s SER 7 CO 0.80 -0.35 0.58 -0.47 1.20 0.00 0.00 173.24 175.00 2kcm s TYR 8 N -0.48 -1.68 -0.24 3.44 5.04 -1.26 -1.99 117.35 120.18 2kcm s TYR 8 Ca -0.06 0.68 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 2kcm s TYR 8 Cb -0.03 0.24 -0.05 0.00 0.35 0.00 0.00 41.96 42.47 2kcm s TYR 8 CO 0.04 -1.10 0.15 -0.51 -1.34 0.00 0.00 175.55 172.78 2kcm s LEU 9 N 2.44 4.03 0.27 6.97 2.01 -1.26 -4.96 118.68 128.18 2kcm s LEU 9 Ca 0.12 0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.33 2kcm s LEU 9 Cb -0.09 -2.08 0.36 0.00 0.01 0.00 0.00 46.19 44.39 2kcm s LEU 9 CO -0.20 0.06 1.72 0.00 1.01 0.00 0.00 176.35 178.94 2kcm h ALA 10 N 7.59 1.08 -0.01 4.21 0.00 -1.94 -1.50 119.26 128.69 2kcm h ALA 10 Ca -0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2kcm h ALA 10 Cb 1.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kcm h ALA 10 CO 0.64 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 180.40 2kcm h ALA 11 N 1.26 1.90 -0.01 0.00 0.00 -1.95 -0.15 119.26 120.32 2kcm h ALA 11 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kcm h ALA 11 Cb 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kcm h ALA 11 CO 0.04 0.07 -0.50 1.63 0.00 0.00 0.00 179.25 180.49 2kcm n LYS 12 N -4.47 0.58 -0.29 0.00 5.02 -0.91 -4.90 118.16 113.19 2kcm n LYS 12 Ca -0.03 -0.41 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 2kcm n LYS 12 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 -0.85 0.00 -3.74 1.97 5.02 -0.07 -4.81 118.16 115.68 2kcm n LYS 13 Ca 0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.28 2kcm n LYS 13 Cb 0.37 -4.09 -0.05 0.00 -0.02 0.00 0.00 35.03 31.24 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 -0.94 -0.04 0.00 2.13 -0.85 -1.23 -3.60 117.35 112.82 2kcm s TYR 14 Ca 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 2kcm s TYR 14 Cb 0.00 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.50 2kcm s TYR 14 CO 0.00 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 173.75 2kcm n GLY 15 N -0.20 3.67 3.09 5.49 0.00 -1.24 -4.05 105.19 111.94 2kcm n GLY 15 Ca -0.14 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 1.17 0.40 0.07 1.61 0.08 -0.84 -4.35 117.98 116.11 2kcm s PHE 16 Ca 0.00 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.21 2kcm s PHE 16 Cb 0.00 -0.29 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 2kcm s PHE 16 CO 0.00 -0.37 -0.07 0.42 -0.10 0.00 0.00 175.22 175.10 2kcm s ILE 17 N -3.37 0.58 -0.37 0.64 1.01 -1.23 -2.35 121.20 116.10 2kcm s ILE 17 Ca 0.02 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 2kcm s ILE 17 Cb 0.04 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.46 2kcm s ILE 17 CO -0.08 -0.63 0.16 -1.58 0.00 0.00 0.00 174.94 172.81 2kcm s GLN 18 N -2.69 2.49 0.83 2.79 0.74 0.11 -3.67 119.66 120.26 2kcm s GLN 18 Ca 0.00 -1.39 -0.11 0.00 0.05 0.00 0.00 55.36 53.91 2kcm s GLN 18 Cb -0.02 -3.56 0.09 0.00 1.10 0.00 0.00 33.01 30.62 2kcm s GLN 18 CO -0.02 -0.83 1.10 0.20 -0.55 0.00 0.00 175.29 175.19 2kcm s GLY 19 N 1.70 1.66 0.27 2.59 0.00 -0.82 -1.10 107.32 111.62 2kcm s GLY 19 Ca 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 2kcm s GLY 19 CO 0.01 0.62 1.80 -1.80 0.00 0.00 0.00 173.10 173.73 2kcm h ASP 20 N -1.36 0.79 -0.37 1.64 1.82 -1.84 -1.62 116.42 115.48 2kcm h ASP 20 Ca -0.45 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 2kcm h ASP 20 Cb 1.25 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 41.05 2kcm h ASP 20 CO 0.51 0.80 0.00 -0.90 -1.61 0.00 0.00 179.24 178.03 2kcm n ASP 21 N -4.26 1.98 0.00 2.28 5.75 -1.26 -4.85 116.55 116.19 2kcm n ASP 21 Ca 0.04 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2kcm n ASP 21 Cb 0.25 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kcm n GLY 22 N 1.09 0.56 3.53 6.12 0.00 -0.61 -5.02 105.19 110.86 2kcm n GLY 22 Ca 0.12 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.08 3.49 0.42 1.61 2.02 -1.26 -4.72 118.70 119.17 2kcm s GLU 23 Ca 0.00 -0.49 -0.23 0.00 0.02 0.00 0.00 54.97 54.26 2kcm s GLU 23 Cb 0.00 -3.83 -0.09 0.00 0.10 0.00 0.00 34.13 30.32 2kcm s GLU 23 CO 0.00 -0.56 1.05 -1.12 0.02 0.00 0.00 175.26 174.66 2kcm s SER 24 N 1.74 6.65 -0.02 -0.19 0.01 -1.26 -1.95 113.70 118.67 2kcm s SER 24 Ca 0.11 2.03 0.07 0.00 1.31 0.00 0.00 55.95 59.47 2kcm s SER 24 Cb -0.17 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 2kcm s SER 24 CO 0.12 -0.57 -0.22 -0.31 0.41 0.00 0.00 173.24 172.67 2kcm s TYR 25 N -1.71 2.01 0.03 2.43 2.02 -1.24 -4.71 117.35 116.18 2kcm s TYR 25 Ca 0.60 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.60 2kcm s TYR 25 Cb -0.21 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2kcm s TYR 25 CO 0.27 -0.05 1.00 0.12 -1.57 0.00 0.00 175.55 175.32 2kcm s PHE 26 N -0.48 3.66 -0.23 2.71 5.36 -0.62 -3.54 117.98 124.85 2kcm s PHE 26 Ca 0.07 1.67 -0.08 0.00 -0.96 0.00 0.00 56.93 57.64 2kcm s PHE 26 Cb -0.09 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.41 2kcm s PHE 26 CO -0.00 -0.12 0.08 -1.17 -1.46 0.00 0.00 175.22 172.54 2kcm s LEU 27 N 0.78 3.60 0.07 6.12 0.20 -1.26 -3.14 118.68 125.05 2kcm s LEU 27 Ca 0.52 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.27 2kcm s LEU 27 Cb -0.23 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2kcm s LEU 27 CO 0.29 0.03 -0.09 -2.28 -0.29 0.00 0.00 176.35 174.01 2kcm s HIS 28 N 1.21 0.89 0.31 5.38 2.46 -1.26 -3.68 115.29 120.60 2kcm s HIS 28 Ca 0.05 -0.60 0.02 0.00 0.47 0.00 0.00 55.06 54.99 2kcm s HIS 28 Cb -0.14 -0.51 0.49 0.00 -0.13 0.00 0.00 32.58 32.29 2kcm s HIS 28 CO 0.04 -0.05 1.83 0.74 -2.47 0.00 0.00 174.74 174.83 2kcm h PHE 29 N 3.96 0.68 0.00 3.88 -1.00 -1.97 -1.53 116.94 120.96 2kcm h PHE 29 Ca -0.37 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.34 2kcm h PHE 29 Cb 1.19 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.56 2kcm h PHE 29 CO 0.63 0.63 -0.01 0.66 -1.61 0.00 0.00 178.31 178.62 2kcm h SER 30 N 0.62 0.00 0.25 2.17 4.64 -1.96 0.12 113.55 119.39 2kcm h SER 30 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2kcm h SER 30 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2kcm h SER 30 CO 0.01 0.01 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.23 2kcm n GLU 31 N -3.23 0.88 -3.40 4.77 1.02 -0.58 -4.79 120.64 115.31 2kcm n GLU 31 Ca -0.03 -0.39 -0.38 0.00 -0.02 0.00 0.00 57.16 56.34 2kcm n GLU 31 Cb 0.10 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 2kcm n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcm s LEU 32 N -2.39 4.17 0.19 -4.62 1.43 0.41 -2.56 118.68 115.31 2kcm s LEU 32 Ca 0.30 0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 53.83 2kcm s LEU 32 Cb 0.20 -2.50 0.12 0.00 0.03 0.00 0.00 46.19 44.04 2kcm s LEU 32 CO 0.46 -0.05 1.76 -0.07 0.23 0.00 0.00 176.35 178.68 2kcm h LEU 33 N 7.49 0.97 -7.09 1.79 -0.00 -1.87 -3.35 115.31 113.26 2kcm h LEU 33 Ca -0.37 -0.17 -0.62 0.00 -0.00 0.00 0.00 57.88 56.73 2kcm h LEU 33 Cb 1.16 -0.25 -0.40 0.00 -0.00 0.00 0.00 40.66 41.17 2kcm h LEU 33 CO 0.72 0.87 -0.71 -1.81 -0.00 0.00 0.00 178.44 177.51 2kcm s ASP 34 N -6.22 3.82 0.34 -0.43 1.01 -1.26 -4.94 116.67 108.99 2kcm s ASP 34 Ca -0.13 -2.74 0.07 0.00 0.71 0.00 0.00 52.55 50.46 2kcm s ASP 34 Cb 0.14 -1.19 0.37 0.00 1.01 0.00 0.00 42.92 43.25 2kcm s ASP 34 CO 0.82 -0.25 1.03 0.11 0.21 0.00 0.00 175.17 177.09 2kcm h LYS 35 N 6.65 0.00 -0.31 8.23 1.57 -1.88 0.78 116.57 131.61 2kcm h LYS 35 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2kcm h LYS 35 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2kcm h LYS 35 CO 0.54 0.00 -0.16 0.87 -0.57 0.00 0.00 179.45 180.13 2kcm h LYS 36 N 0.00 0.54 0.00 3.15 1.79 -1.95 -1.67 116.57 118.43 2kcm h LYS 36 Ca 0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2kcm h LYS 36 Cb 1.07 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 2kcm h LYS 36 CO 0.00 0.68 0.00 -0.40 -1.08 0.00 0.00 179.45 178.65 2kcm n ASP 37 N -4.17 0.00 -0.09 0.86 5.68 0.27 -3.16 116.55 115.94 2kcm n ASP 37 Ca 0.00 -0.33 -0.01 0.00 -0.50 0.00 0.00 54.79 53.95 2kcm n ASP 37 Cb 0.35 -0.15 0.24 0.00 -1.14 0.00 0.00 41.12 40.42 2kcm n ASP 37 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2kcm h GLU 38 N 0.00 0.73 0.00 0.11 4.11 -1.42 -1.61 114.58 116.51 2kcm h GLU 38 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2kcm h GLU 38 Cb 0.10 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2kcm h GLU 38 CO 0.00 0.66 -0.09 0.41 0.07 0.00 0.00 179.01 180.07 2kcm n GLY 39 N -0.93 -1.57 0.94 1.06 0.00 -1.19 -3.00 105.19 100.51 2kcm n GLY 39 Ca 0.03 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.89 2.21 -1.57 1.61 5.02 -0.63 -4.95 118.16 117.97 2kcm n LYS 40 Ca 0.06 -1.84 -0.32 0.00 -2.02 0.00 0.00 58.31 54.18 2kcm n LYS 40 Cb 0.39 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.39 3.27 -0.16 -0.35 1.43 -1.08 -4.97 118.68 115.44 2kcm s LEU 41 Ca 0.36 1.98 -0.03 0.00 -1.03 0.00 0.00 54.13 55.42 2kcm s LEU 41 Cb 0.20 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2kcm s LEU 41 CO 0.28 -1.83 -0.07 0.54 0.23 0.00 0.00 176.35 175.50 2kcm s VAL 42 N -2.47 3.58 -0.11 -1.59 0.11 -1.26 -5.10 120.40 113.55 2kcm s VAL 42 Ca 0.66 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 59.16 2kcm s VAL 42 Cb -0.20 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 2kcm s VAL 42 CO 0.46 0.49 0.19 -0.75 -3.33 0.00 0.00 175.10 172.16 2kcm s LYS 43 N 0.49 3.65 -0.14 1.54 2.20 -1.26 -4.30 119.74 121.92 2kcm s LYS 43 Ca -0.05 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2kcm s LYS 43 Cb -0.15 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2kcm s LYS 43 CO 0.03 0.67 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 2kcm n GLY 44 N 2.23 0.40 1.47 5.54 0.00 -1.25 -5.03 105.19 108.56 2kcm n GLY 44 Ca -0.18 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 1.74 -0.38 -4.81 1.61 7.64 -1.26 -5.00 113.62 113.16 2kcm n SER 45 Ca -0.02 -1.97 -0.34 0.00 1.01 0.00 0.00 58.87 57.56 2kcm n SER 45 Cb 0.28 0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 64.25 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 -2.57 4.23 0.17 1.43 -1.94 -1.26 -2.64 119.30 116.72 2kcm s MET 46 Ca 0.17 1.17 0.02 0.00 -1.71 0.00 0.00 55.69 55.34 2kcm s MET 46 Cb 0.01 -2.24 -0.05 0.00 2.01 0.00 0.00 34.83 34.56 2kcm s MET 46 CO 0.12 -0.03 -0.00 0.14 -0.01 0.00 0.00 175.02 175.24 2kcm s VAL 47 N -2.10 0.68 -0.05 -6.03 -7.23 -0.85 -4.79 120.40 100.03 2kcm s VAL 47 Ca 0.61 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.83 2kcm s VAL 47 Cb -0.11 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2kcm s VAL 47 CO 0.15 -0.50 -0.14 -2.28 -0.31 0.00 0.00 175.10 172.02 2kcm s HIS 48 N -3.65 1.55 0.16 2.82 2.46 -1.10 -3.14 115.29 114.38 2kcm s HIS 48 Ca 0.23 -0.50 -0.12 0.00 0.47 0.00 0.00 55.06 55.14 2kcm s HIS 48 Cb 0.06 -1.08 0.01 0.00 -0.13 0.00 0.00 32.58 31.44 2kcm s HIS 48 CO 0.03 -0.21 0.35 -0.59 -2.47 0.00 0.00 174.74 171.85 2kcm s PHE 49 N 0.31 0.13 0.18 3.88 -0.71 -0.40 -0.82 117.98 120.55 2kcm s PHE 49 Ca -0.09 -0.49 -0.03 0.00 -1.04 0.00 0.00 56.93 55.28 2kcm s PHE 49 Cb -0.13 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.74 2kcm s PHE 49 CO 0.03 -0.74 0.39 -0.51 -1.34 0.00 0.00 175.22 173.05 2kcm s ASP 50 N -2.90 6.45 0.61 1.98 1.01 -1.05 -2.42 116.67 120.35 2kcm s ASP 50 Ca 0.11 0.53 -0.18 0.00 0.71 0.00 0.00 52.55 53.71 2kcm s ASP 50 Cb 0.02 -2.06 -0.03 0.00 1.01 0.00 0.00 42.92 41.86 2kcm s ASP 50 CO -0.04 -0.00 1.23 -2.16 0.21 0.00 0.00 175.17 174.40 2kcm s PRO 51 N -2.98 2.85 -0.39 8.23 0.04 -1.26 -4.28 135.00 137.21 2kcm s PRO 51 Ca 0.40 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.36 2kcm s PRO 51 Cb -0.12 -1.91 0.16 0.00 0.04 0.00 0.00 34.50 32.68 2kcm s PRO 51 CO 0.27 -1.32 0.42 -0.08 0.04 0.00 0.00 177.00 176.33 2kcm s THR 52 N -1.56 -0.35 -0.86 1.26 -1.32 -1.26 -4.96 115.64 106.58 2kcm s THR 52 Ca 0.79 -1.13 -0.14 0.00 -1.21 0.00 0.00 61.69 59.99 2kcm s THR 52 Cb -0.32 -0.63 -0.25 0.00 -1.51 0.00 0.00 72.50 69.79 2kcm s THR 52 CO 0.35 -0.57 2.14 -2.65 -2.21 0.00 0.00 174.62 171.68 2kcm n PRO 53 N 3.95 0.18 -3.21 7.08 -0.02 -1.26 -4.44 135.00 137.28 2kcm n PRO 53 Ca 0.14 -0.33 -0.24 0.00 -2.02 0.00 0.00 63.50 61.05 2kcm n PRO 53 Cb 0.47 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2kcm n PRO 53 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kcm n THR 54 N 6.59 -0.17 0.53 3.45 -2.24 -1.26 -4.94 114.28 116.25 2kcm n THR 54 Ca 0.55 -4.28 0.00 0.00 -2.27 0.00 0.00 64.05 58.06 2kcm n THR 54 Cb 0.27 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.14 0.30 -0.24 -0.78 -0.04 -1.26 0.19 135.00 134.31 2kcm n PRO 55 Ca 0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2kcm n PRO 55 Cb 0.53 -1.04 0.21 0.00 -0.04 0.00 0.00 33.50 33.17 2kcm n PRO 55 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2kcm n LYS 56 N -0.29 2.63 0.00 0.54 2.85 -1.26 -4.75 118.16 117.87 2kcm n LYS 56 Ca 0.00 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.02 2kcm n LYS 56 Cb 0.02 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.00 2kcm n LYS 56 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kcm n GLY 57 N 1.04 0.00 1.43 2.58 0.00 -0.84 -5.14 105.19 104.28 2kcm n GLY 57 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.70 -3.99 0.99 4.77 0.50 -4.00 117.00 113.56 2kcm n LEU 58 Ca 0.00 2.65 -0.09 0.00 -0.03 0.00 0.00 56.01 58.54 2kcm n LEU 58 Cb 0.00 -2.72 -0.05 0.00 -2.33 0.00 0.00 43.42 38.32 2kcm n LEU 58 CO 0.00 -0.39 0.20 0.00 -1.33 0.00 0.00 177.39 175.87 2kcm s ALA 59 N -4.70 -0.24 -0.25 -1.18 0.00 -1.26 -1.59 121.76 112.54 2kcm s ALA 59 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 2kcm s ALA 59 Cb 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 23.12 24.05 2kcm s ALA 59 CO 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 175.76 174.62 2kcm n ALA 60 N -0.40 1.42 -1.95 0.00 0.00 -1.19 -4.53 120.51 113.87 2kcm n ALA 60 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.42 2kcm n ALA 60 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2kcm n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kcm n LYS 61 N -3.77 -5.26 -3.07 0.00 4.81 -1.26 -3.33 118.16 106.28 2kcm n LYS 61 Ca -0.46 3.79 -0.08 0.00 -0.87 0.00 0.00 58.31 60.69 2kcm n LYS 61 Cb 0.89 -4.18 0.01 0.00 0.02 0.00 0.00 35.03 31.76 2kcm n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kcm n ALA 62 N 0.69 -2.60 -2.79 3.14 0.00 -1.06 -2.52 120.51 115.37 2kcm n ALA 62 Ca 0.00 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.42 2kcm n ALA 62 Cb 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.44 4.91 0.11 0.00 1.01 -1.26 -3.23 121.20 121.29 2kcm s ILE 63 Ca 0.09 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.76 2kcm s ILE 63 Cb -0.01 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2kcm s ILE 63 CO 0.46 0.57 -0.07 -0.94 0.00 0.00 0.00 174.94 174.96 2kcm s SER 64 N -0.61 1.32 -0.69 3.58 1.04 -0.00 -4.89 113.70 113.44 2kcm s SER 64 Ca 0.11 -1.01 0.04 0.00 0.48 0.00 0.00 55.95 55.57 2kcm s SER 64 Cb -0.12 0.07 0.17 0.00 0.10 0.00 0.00 66.02 66.24 2kcm s SER 64 CO 0.02 -0.43 0.48 -1.48 0.98 0.00 0.00 173.24 172.81 2kcm s LEU 65 N -3.08 4.82 0.00 2.42 2.34 -1.26 -2.71 118.68 121.20 2kcm s LEU 65 Ca 0.14 -3.72 0.30 0.00 0.06 0.00 0.00 54.13 50.91 2kcm s LEU 65 Cb 0.05 -1.66 1.50 0.00 -0.56 0.00 0.00 46.19 45.51 2kcm s LEU 65 CO -0.03 -0.12 2.00 -0.81 -1.06 0.00 0.00 176.35 176.34 2kcm n PRO 66 N 2.18 0.99 -3.45 1.48 -0.04 -1.26 -4.82 135.00 130.07 2kcm n PRO 66 Ca 0.17 -0.26 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 2kcm n PRO 66 Cb 0.35 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.19 4.21 0.02 1.53 2.96 -1.26 -4.78 118.68 119.17 2kcm s LEU 67 Ca 0.38 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 2kcm s LEU 67 Cb 0.21 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.44 2kcm s LEU 67 CO 0.40 0.02 0.00 -0.62 -1.32 0.00 0.00 176.35 174.83 2kcm n GLU 68 N 3.92 -3.70 -3.65 1.98 -0.58 -1.26 -4.93 120.64 112.41 2kcm n GLU 68 Ca -0.10 2.67 -0.36 0.00 -0.42 0.00 0.00 57.16 58.95 2kcm n GLU 68 Cb 0.52 -3.48 -0.07 0.00 -0.57 0.00 0.00 31.44 27.84 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kcm s HIS 69 N -0.42 3.50 0.04 -0.32 3.76 -1.26 -5.05 115.29 115.53 2kcm s HIS 69 Ca 0.00 0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 55.15 2kcm s HIS 69 Cb 0.00 -2.21 -0.05 0.00 1.11 0.00 0.00 32.58 31.43 2kcm s HIS 69 CO 0.00 0.39 1.21 -1.58 -0.85 0.00 0.00 174.74 173.91 2kcm s HIS 70 N 0.00 3.35 0.27 1.40 2.46 -1.26 -5.01 115.29 116.50 2kcm s HIS 70 Ca 0.14 1.25 -0.23 0.00 0.47 0.00 0.00 55.06 56.69 2kcm s HIS 70 Cb -0.13 -3.44 -0.09 0.00 -0.13 0.00 0.00 32.58 28.79 2kcm s HIS 70 CO 0.03 -1.38 0.83 -3.38 -2.47 0.00 0.00 174.74 168.37 2kcm s HIS 71 N 1.36 3.68 -0.81 3.88 -3.43 -1.26 -4.95 115.29 113.77 2kcm s HIS 71 Ca 0.59 1.58 0.26 0.00 -0.80 0.00 0.00 55.06 56.69 2kcm s HIS 71 Cb -0.29 -2.77 0.74 0.00 -1.43 0.00 0.00 32.58 28.84 2kcm s HIS 71 CO 0.28 0.29 1.64 -2.39 -2.00 0.00 0.00 174.74 172.55 2kcm n HIS 72 N 0.69 0.48 -2.06 0.38 1.44 -1.26 -4.86 115.22 110.03 2kcm n HIS 72 Ca -0.00 0.14 -0.33 0.00 -2.01 0.00 0.00 57.72 55.52 2kcm n HIS 72 Cb 0.50 -0.66 0.01 0.00 0.12 0.00 0.00 29.99 29.96 2kcm n HIS 72 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcm s HIS 73 N -3.08 3.05 0.00 -1.40 5.04 -1.26 -5.38 115.29 112.26 2kcm s HIS 73 Ca 0.10 1.50 0.00 0.00 -1.54 0.00 0.00 55.06 55.12 2kcm s HIS 73 Cb 0.15 -2.98 0.00 0.00 0.04 0.00 0.00 32.58 29.79 2kcm s HIS 73 CO 0.63 -1.04 0.00 -2.39 -2.34 0.00 0.00 174.74 169.60