#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 3.09 0.00 0.03 1.02 -1.26 -3.79 119.74 118.83 2kcm s LYS 2 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 2kcm s LYS 2 Cb 0.00 -2.85 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2kcm s LYS 2 CO 0.00 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 2kcm n GLY 3 N 0.55 1.00 3.10 -3.33 0.00 -1.25 -3.03 105.19 102.23 2kcm n GLY 3 Ca -0.08 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 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 1.17 0.86 -0.39 1.61 1.02 -1.08 -2.79 119.74 120.14 2kcm s LYS 4 Ca 0.00 -0.60 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 2kcm s LYS 4 Cb 0.00 -0.83 0.02 0.00 -0.52 0.00 0.00 37.83 36.50 2kcm s LYS 4 CO 0.00 0.21 1.09 0.54 -0.92 0.00 0.00 175.35 176.27 2kcm s VAL 5 N -0.65 4.38 0.11 3.17 0.11 -1.05 -1.10 120.40 125.38 2kcm s VAL 5 Ca 0.02 1.48 -0.04 0.00 -2.93 0.00 0.00 61.98 60.50 2kcm s VAL 5 Cb -0.06 -4.49 -0.21 0.00 -1.53 0.00 0.00 36.38 30.08 2kcm s VAL 5 CO 0.00 -0.71 1.26 1.62 -3.33 0.00 0.00 175.10 173.94 2kcm h VAL 6 N 5.95 1.43 -1.46 2.04 3.04 -1.86 -3.31 116.25 122.09 2kcm h VAL 6 Ca -0.22 -2.62 0.14 0.00 -1.01 0.00 0.00 66.70 62.99 2kcm h VAL 6 Cb 1.06 2.57 -0.23 0.00 -2.01 0.00 0.00 31.29 32.68 2kcm h VAL 6 CO 1.07 0.78 0.67 -0.55 -1.01 0.00 0.00 177.57 178.52 2kcm s SER 7 N -7.11 -0.27 -0.16 3.17 0.15 -1.15 -4.86 113.70 103.48 2kcm s SER 7 Ca -0.05 0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.94 2kcm s SER 7 Cb 0.08 0.22 -0.16 0.00 -1.71 0.00 0.00 66.02 64.46 2kcm s SER 7 CO 0.87 -0.27 -0.03 0.00 1.20 0.00 0.00 173.24 175.01 2kcm n TYR 8 N 0.57 0.00 -3.45 3.44 9.36 -1.26 0.04 117.16 125.86 2kcm n TYR 8 Ca -0.07 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.91 2kcm n TYR 8 Cb 0.58 -0.72 0.02 0.00 -0.63 0.00 0.00 39.34 38.59 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 -2.73 -3.70 0.27 2.98 4.77 -1.26 -2.96 117.00 114.37 2kcm n LEU 9 Ca -0.27 -0.32 0.12 0.00 -0.03 0.00 0.00 56.01 55.51 2kcm n LEU 9 Cb 0.93 -2.12 0.76 0.00 -2.33 0.00 0.00 43.42 40.67 2kcm n LEU 9 CO 0.26 -0.38 1.02 0.00 -1.33 0.00 0.00 177.39 176.96 2kcm h ALA 10 N 1.58 1.44 -0.48 -1.18 0.00 -1.95 -1.59 119.26 117.10 2kcm h ALA 10 Ca -0.43 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 2kcm h ALA 10 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2kcm h ALA 10 CO 0.28 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.78 2kcm h ALA 11 N 1.92 1.37 -0.05 0.00 0.00 -1.94 -1.07 119.26 119.49 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 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kcm h ALA 11 CO 0.01 0.46 0.00 1.63 0.00 0.00 0.00 179.25 181.35 2kcm n LYS 12 N -4.32 1.95 -0.60 0.00 5.02 -0.65 -4.89 118.16 114.66 2kcm n LYS 12 Ca 0.03 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 2kcm n LYS 12 Cb 0.19 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 0.67 -1.13 -4.53 1.97 5.02 -0.41 -4.87 118.16 114.88 2kcm n LYS 13 Ca 0.17 0.22 -0.30 0.00 -2.02 0.00 0.00 58.31 56.38 2kcm n LYS 13 Cb 0.45 -4.11 -0.17 0.00 -0.02 0.00 0.00 35.03 31.18 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 -0.77 2.26 0.33 2.13 2.02 -1.23 -4.47 117.35 117.61 2kcm s TYR 14 Ca 0.00 -1.10 0.06 0.00 -0.37 0.00 0.00 57.07 55.66 2kcm s TYR 14 Cb 0.00 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2kcm s TYR 14 CO 0.00 -0.54 0.46 0.20 -1.57 0.00 0.00 175.55 174.10 2kcm s GLY 15 N 0.94 1.57 0.01 0.71 0.00 -0.87 -4.35 107.32 105.32 2kcm s GLY 15 Ca -0.06 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.25 2kcm s GLY 15 CO -0.02 -1.37 -0.11 -1.36 0.00 0.00 0.00 173.10 170.24 2kcm s PHE 16 N -2.16 0.94 -0.02 1.90 0.08 0.11 -2.34 117.98 116.48 2kcm s PHE 16 Ca 0.44 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2kcm s PHE 16 Cb -0.09 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.77 2kcm s PHE 16 CO 0.31 -0.01 -0.08 0.42 -0.10 0.00 0.00 175.22 175.76 2kcm s ILE 17 N -0.47 0.69 -0.54 0.64 1.01 -1.23 -2.71 121.20 118.60 2kcm s ILE 17 Ca 0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 2kcm s ILE 17 Cb -0.05 -0.61 0.07 0.00 0.01 0.00 0.00 42.46 41.87 2kcm s ILE 17 CO 0.00 0.22 0.68 -1.58 0.00 0.00 0.00 174.94 174.25 2kcm s GLN 18 N 0.15 3.12 0.83 2.79 0.74 -0.26 -3.36 119.66 123.67 2kcm s GLN 18 Ca -0.02 -0.95 -0.11 0.00 0.05 0.00 0.00 55.36 54.33 2kcm s GLN 18 Cb -0.07 -4.14 0.09 0.00 1.10 0.00 0.00 33.01 29.98 2kcm s GLN 18 CO 0.00 -1.34 1.09 0.20 -0.55 0.00 0.00 175.29 174.69 2kcm s GLY 19 N 2.96 1.64 0.26 2.59 0.00 -1.00 -2.63 107.32 111.14 2kcm s GLY 19 Ca 0.15 0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 2kcm s GLY 19 CO 0.11 0.46 1.82 -0.55 0.00 0.00 0.00 173.10 174.94 2kcm h ASP 20 N -1.28 0.92 -0.04 1.64 3.32 -1.86 -0.58 116.42 118.54 2kcm h ASP 20 Ca -0.47 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2kcm h ASP 20 Cb 1.26 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2kcm h ASP 20 CO 0.54 0.84 0.00 -0.67 -1.72 0.00 0.00 179.24 178.23 2kcm n ASP 21 N -4.29 0.38 0.00 6.45 2.03 -1.26 -4.84 116.55 115.02 2kcm n ASP 21 Ca 0.06 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.90 2kcm n ASP 21 Cb 0.19 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 0.88 0.48 3.62 0.27 0.00 -0.23 -5.02 105.19 105.20 2kcm n GLY 22 Ca 0.15 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.63 4.02 0.58 1.61 2.02 -1.26 -4.74 118.70 119.31 2kcm s GLU 23 Ca 0.00 0.55 -0.14 0.00 0.02 0.00 0.00 54.97 55.41 2kcm s GLU 23 Cb 0.00 -3.69 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 2kcm s GLU 23 CO 0.00 -0.55 1.02 -1.54 0.02 0.00 0.00 175.26 174.21 2kcm s SER 24 N 1.54 6.25 -0.00 -0.19 1.04 -1.26 -2.36 113.70 118.72 2kcm s SER 24 Ca 0.29 1.55 0.01 0.00 0.48 0.00 0.00 55.95 58.28 2kcm s SER 24 Cb -0.15 -2.50 -0.00 0.00 0.10 0.00 0.00 66.02 63.47 2kcm s SER 24 CO 0.10 -0.85 -0.04 -0.31 0.98 0.00 0.00 173.24 173.12 2kcm s TYR 25 N -2.86 0.40 -0.22 5.02 2.02 -1.21 -4.64 117.35 115.86 2kcm s TYR 25 Ca 0.58 -0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 57.07 2kcm s TYR 25 Cb -0.11 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 2kcm s TYR 25 CO 0.43 -0.01 0.30 -0.06 -1.57 0.00 0.00 175.55 174.64 2kcm s PHE 26 N -0.08 3.34 -0.29 2.71 0.40 -1.20 -3.47 117.98 119.40 2kcm s PHE 26 Ca 0.01 0.45 -0.10 0.00 -0.60 0.00 0.00 56.93 56.70 2kcm s PHE 26 Cb -0.02 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.07 2kcm s PHE 26 CO -0.00 0.01 0.15 -1.17 0.70 0.00 0.00 175.22 174.91 2kcm s LEU 27 N 1.24 3.97 0.32 -0.37 0.20 -0.99 -3.41 118.68 119.63 2kcm s LEU 27 Ca 0.14 -0.35 0.10 0.00 0.69 0.00 0.00 54.13 54.71 2kcm s LEU 27 Cb -0.14 -2.01 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 2kcm s LEU 27 CO 0.07 -0.14 -0.06 -2.28 -0.29 0.00 0.00 176.35 173.65 2kcm s HIS 28 N 1.65 2.47 0.30 5.38 5.65 -1.26 -2.06 115.29 127.42 2kcm s HIS 28 Ca 0.06 -0.40 -0.00 0.00 0.25 0.00 0.00 55.06 54.96 2kcm s HIS 28 Cb -0.16 -1.31 0.45 0.00 -1.18 0.00 0.00 32.58 30.38 2kcm s HIS 28 CO 0.07 0.58 1.87 0.74 -0.65 0.00 0.00 174.74 177.35 2kcm h PHE 29 N 1.98 0.84 0.00 3.88 -1.00 -1.96 -0.74 116.94 119.94 2kcm h PHE 29 Ca -0.42 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.31 2kcm h PHE 29 Cb 1.25 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.56 2kcm h PHE 29 CO 0.74 0.67 0.00 0.66 -1.61 0.00 0.00 178.31 178.77 2kcm h SER 30 N 0.82 0.00 0.31 2.17 4.64 -1.97 0.43 113.55 119.94 2kcm h SER 30 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2kcm h SER 30 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2kcm h SER 30 CO -0.01 0.00 -0.37 -0.62 -0.87 0.00 0.00 176.83 174.95 2kcm n GLU 31 N -2.82 0.54 -3.31 4.77 -0.58 -0.29 -4.79 120.64 114.16 2kcm n GLU 31 Ca -0.01 -0.33 -0.40 0.00 -0.42 0.00 0.00 57.16 56.00 2kcm n GLU 31 Cb 0.12 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.42 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 -2.69 4.21 0.19 -4.62 1.43 0.14 -4.01 118.68 113.33 2kcm s LEU 32 Ca 0.19 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 2kcm s LEU 32 Cb 0.18 -2.52 0.11 0.00 0.03 0.00 0.00 46.19 44.00 2kcm s LEU 32 CO 0.60 -0.33 1.74 -0.07 0.23 0.00 0.00 176.35 178.51 2kcm h LEU 33 N 8.83 0.97 -8.00 1.79 -0.00 -1.86 -3.39 115.31 113.65 2kcm h LEU 33 Ca -0.29 -0.19 -0.67 0.00 -0.00 0.00 0.00 57.88 56.72 2kcm h LEU 33 Cb 1.14 -0.25 -0.35 0.00 -0.00 0.00 0.00 40.66 41.20 2kcm h LEU 33 CO 0.71 0.90 -0.81 -1.81 -0.00 0.00 0.00 178.44 177.43 2kcm s ASP 34 N -6.27 3.98 0.32 -0.43 1.01 -1.26 -4.98 116.67 109.04 2kcm s ASP 34 Ca -0.12 -1.03 0.01 0.00 0.71 0.00 0.00 52.55 52.12 2kcm s ASP 34 Cb 0.14 -1.55 0.54 0.00 1.01 0.00 0.00 42.92 43.06 2kcm s ASP 34 CO 0.82 -0.11 1.91 0.11 0.21 0.00 0.00 175.17 178.11 2kcm h LYS 35 N 7.88 0.76 -0.33 8.23 1.79 -1.94 -1.84 116.57 131.12 2kcm h LYS 35 Ca -0.31 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 2kcm h LYS 35 Cb 1.09 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2kcm h LYS 35 CO 0.55 0.62 0.11 0.87 -1.08 0.00 0.00 179.45 180.52 2kcm h LYS 36 N 0.75 0.47 0.00 3.15 1.57 -1.97 -0.08 116.57 120.46 2kcm h LYS 36 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2kcm h LYS 36 Cb 0.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2kcm h LYS 36 CO -0.02 0.42 0.00 -0.25 -0.57 0.00 0.00 179.45 179.03 2kcm n ASP 37 N -4.38 0.00 -0.17 0.86 8.00 -0.69 -2.71 116.55 117.46 2kcm n ASP 37 Ca 0.02 -0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 2kcm n ASP 37 Cb 0.16 -0.22 0.18 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.91 -0.00 -1.24 4.81 -1.05 -1.03 114.58 116.98 2kcm h GLU 38 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2kcm h GLU 38 Cb 0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2kcm h GLU 38 CO 0.00 0.78 -0.07 0.41 -0.73 0.00 0.00 179.01 179.40 2kcm n GLY 39 N -0.92 -1.07 0.93 1.92 0.00 -1.10 -3.09 105.19 101.86 2kcm n GLY 39 Ca 0.05 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.08 2.23 -2.24 1.61 4.76 -0.40 -4.95 118.16 118.09 2kcm n LYS 40 Ca 0.15 -1.84 -0.36 0.00 -2.87 0.00 0.00 58.31 53.38 2kcm n LYS 40 Cb 0.26 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kcm s LEU 41 N -1.63 3.90 -0.31 -0.35 1.43 -1.15 -4.93 118.68 115.65 2kcm s LEU 41 Ca 0.35 2.27 -0.07 0.00 -1.03 0.00 0.00 54.13 55.66 2kcm s LEU 41 Cb 0.21 -4.37 0.02 0.00 0.03 0.00 0.00 46.19 42.07 2kcm s LEU 41 CO 0.30 -1.06 0.09 0.54 0.23 0.00 0.00 176.35 176.45 2kcm s VAL 42 N -1.62 3.91 -0.01 -1.59 0.11 -1.26 -5.09 120.40 114.86 2kcm s VAL 42 Ca 0.67 -0.82 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2kcm s VAL 42 Cb -0.27 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.45 2kcm s VAL 42 CO 0.32 0.00 0.33 -0.75 -3.33 0.00 0.00 175.10 171.68 2kcm s LYS 43 N 1.47 3.74 0.00 1.54 2.20 -1.26 -4.25 119.74 123.18 2kcm s LYS 43 Ca 0.01 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 2kcm s LYS 43 Cb -0.18 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2kcm s LYS 43 CO 0.03 0.68 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 2kcm n GLY 44 N 1.58 0.54 0.00 5.54 0.00 -1.24 -5.03 105.19 106.58 2kcm n GLY 44 Ca -0.14 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 1.71 0.00 -4.81 1.61 2.88 -1.26 -5.02 113.62 108.73 2kcm n SER 45 Ca 0.00 -0.50 -0.35 0.00 -1.33 0.00 0.00 58.87 56.69 2kcm n SER 45 Cb 0.21 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.51 4.29 0.09 -1.46 -1.94 -1.26 -2.54 119.30 115.97 2kcm s MET 46 Ca 0.00 1.01 0.02 0.00 -1.71 0.00 0.00 55.69 55.00 2kcm s MET 46 Cb 0.00 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.19 2kcm s MET 46 CO 0.00 0.22 -0.06 0.14 -0.01 0.00 0.00 175.02 175.30 2kcm s VAL 47 N -1.79 0.64 -0.07 -6.03 -7.23 -1.12 -4.61 120.40 100.18 2kcm s VAL 47 Ca 0.52 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2kcm s VAL 47 Cb -0.14 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2kcm s VAL 47 CO 0.19 -0.84 -0.22 -1.00 -0.31 0.00 0.00 175.10 172.92 2kcm s HIS 48 N -3.42 2.31 0.10 2.82 3.76 -1.05 -3.95 115.29 115.87 2kcm s HIS 48 Ca 0.09 -0.82 -0.18 0.00 -0.15 0.00 0.00 55.06 54.01 2kcm s HIS 48 Cb 0.04 -1.54 0.04 0.00 1.11 0.00 0.00 32.58 32.22 2kcm s HIS 48 CO -0.05 -0.30 0.43 -0.59 -0.85 0.00 0.00 174.74 173.38 2kcm s PHE 49 N 0.15 -0.26 0.07 1.40 -0.12 -1.25 -0.27 117.98 117.71 2kcm s PHE 49 Ca -0.11 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.83 2kcm s PHE 49 Cb -0.15 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 2kcm s PHE 49 CO 0.06 -0.67 0.16 -0.51 -0.05 0.00 0.00 175.22 174.21 2kcm s ASP 50 N -2.53 6.02 0.69 1.98 1.11 -1.22 -2.80 116.67 119.91 2kcm s ASP 50 Ca 0.00 0.15 -0.13 0.00 0.18 0.00 0.00 52.55 52.74 2kcm s ASP 50 Cb 0.01 -1.76 0.01 0.00 1.07 0.00 0.00 42.92 42.25 2kcm s ASP 50 CO -0.09 0.16 1.09 -2.16 1.18 0.00 0.00 175.17 175.36 2kcm s PRO 51 N -2.51 2.69 -0.00 8.23 0.04 -1.26 -3.44 135.00 138.74 2kcm s PRO 51 Ca 0.33 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 2kcm s PRO 51 Cb -0.13 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 2kcm s PRO 51 CO 0.26 -1.32 0.03 0.95 0.04 0.00 0.00 177.00 176.95 2kcm s THR 52 N -2.59 0.03 0.02 1.26 -4.23 -1.25 -4.74 115.64 104.14 2kcm s THR 52 Ca 0.64 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2kcm s THR 52 Cb -0.18 -0.14 -0.01 0.00 1.34 0.00 0.00 72.50 73.51 2kcm s THR 52 CO 0.47 -0.16 1.06 -0.65 -0.54 0.00 0.00 174.62 174.80 2kcm h PRO 53 N 5.58 -0.01 -4.65 3.99 0.11 -1.98 -3.41 132.00 131.63 2kcm h PRO 53 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 2kcm h PRO 53 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kcm h PRO 53 CO 0.46 -0.01 -0.70 2.41 -0.21 0.00 0.00 178.00 179.96 2kcm n THR 54 N -3.20 -1.64 -2.42 -1.15 -1.04 -1.26 -4.72 114.28 98.85 2kcm n THR 54 Ca 0.00 0.25 -0.40 0.00 -2.04 0.00 0.00 64.05 61.86 2kcm n THR 54 Cb 0.03 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.45 2kcm n THR 54 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2kcm s PRO 55 N -0.92 3.09 -0.08 -2.82 0.04 -1.26 -3.48 135.00 129.58 2kcm s PRO 55 Ca 0.07 -0.18 -0.00 0.00 0.04 0.00 0.00 61.00 60.93 2kcm s PRO 55 Cb -0.01 -4.43 -0.00 0.00 0.04 0.00 0.00 34.50 30.10 2kcm s PRO 55 CO 0.16 -2.34 0.07 1.17 0.04 0.00 0.00 177.00 176.10 2kcm n LYS 56 N 9.25 -0.15 0.00 4.56 4.81 -1.26 -4.90 118.16 130.47 2kcm n LYS 56 Ca 0.13 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2kcm n LYS 56 Cb 0.50 -1.90 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -1.19 0.38 1.76 3.14 0.00 -1.25 -5.14 105.19 102.90 2kcm n GLY 57 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.00 -3.84 0.99 4.77 -1.23 -4.57 117.00 110.12 2kcm n LEU 58 Ca 0.00 3.29 -0.08 0.00 -0.03 0.00 0.00 56.01 59.19 2kcm n LEU 58 Cb 0.00 -3.33 0.00 0.00 -2.33 0.00 0.00 43.42 37.76 2kcm n LEU 58 CO 0.00 0.29 0.49 0.00 -1.33 0.00 0.00 177.39 176.84 2kcm s ALA 59 N -3.30 -0.96 -0.01 -1.18 0.00 -1.26 -3.22 121.76 111.83 2kcm s ALA 59 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.43 2kcm s ALA 59 Cb 0.00 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 2kcm s ALA 59 CO 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 175.76 174.71 2kcm s ALA 60 N -3.15 0.35 0.07 0.00 0.00 -1.22 -3.80 121.76 114.02 2kcm s ALA 60 Ca 0.13 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.00 2kcm s ALA 60 Cb -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2kcm s ALA 60 CO 0.09 0.08 -0.18 0.21 0.00 0.00 0.00 175.76 175.96 2kcm s LYS 61 N -0.03 1.04 -1.14 0.00 2.20 -1.22 -4.80 119.74 115.79 2kcm s LYS 61 Ca 0.01 -0.99 -0.05 0.00 -0.36 0.00 0.00 55.97 54.58 2kcm s LYS 61 Cb -0.02 -1.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.10 2kcm s LYS 61 CO -0.00 0.27 0.89 0.00 -0.36 0.00 0.00 175.35 176.16 2kcm n ALA 62 N 1.42 -2.29 -2.46 3.13 0.00 -1.26 -3.44 120.51 115.62 2kcm n ALA 62 Ca -0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2kcm n ALA 62 Cb 0.54 -4.02 -0.04 0.00 0.00 0.00 0.00 19.45 15.93 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 -3.43 4.51 -0.21 0.00 1.01 -1.26 -4.30 121.20 117.52 2kcm s ILE 63 Ca 0.25 1.91 -0.06 0.00 0.00 0.00 0.00 60.65 62.76 2kcm s ILE 63 Cb -0.05 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 2kcm s ILE 63 CO 0.76 0.21 0.02 -0.44 0.00 0.00 0.00 174.94 175.50 2kcm s SER 64 N 0.59 5.02 -0.38 3.58 0.01 0.63 -4.95 113.70 118.20 2kcm s SER 64 Ca 0.51 -0.16 -0.19 0.00 1.31 0.00 0.00 55.95 57.43 2kcm s SER 64 Cb -0.24 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.13 2kcm s SER 64 CO 0.30 0.06 0.54 -1.48 0.41 0.00 0.00 173.24 173.06 2kcm s LEU 65 N 1.02 4.44 0.00 2.44 2.34 -1.26 -2.51 118.68 125.15 2kcm s LEU 65 Ca 0.03 -0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.05 2kcm s LEU 65 Cb -0.14 -2.60 0.00 0.00 -0.56 0.00 0.00 46.19 42.89 2kcm s LEU 65 CO 0.02 -0.56 0.00 -0.81 -1.06 0.00 0.00 176.35 173.94 2kcm n PRO 66 N 5.84 0.03 -3.12 1.48 -0.04 -1.26 -4.78 135.00 133.16 2kcm n PRO 66 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2kcm n PRO 66 Cb 0.48 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.94 2kcm n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcm n LEU 67 N 0.00 -4.26 0.00 1.53 4.77 -1.26 -4.76 117.00 113.02 2kcm n LEU 67 Ca 0.00 0.75 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2kcm n LEU 67 Cb 0.00 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 2kcm n LEU 67 CO 0.00 -2.26 0.00 -0.62 -1.33 0.00 0.00 177.39 173.18 2kcm n GLU 68 N 2.00 0.00 -2.79 3.23 4.71 -1.26 -4.88 120.64 121.65 2kcm n GLU 68 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.13 2kcm n GLU 68 Cb 0.21 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 30.66 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2kcm s HIS 69 N 0.40 -0.72 -0.04 -0.32 5.65 -1.26 -5.13 115.29 113.86 2kcm s HIS 69 Ca 0.00 -0.08 -0.23 0.00 0.25 0.00 0.00 55.06 55.00 2kcm s HIS 69 Cb 0.00 0.14 0.05 0.00 -1.18 0.00 0.00 32.58 31.58 2kcm s HIS 69 CO 0.00 -0.53 0.51 -3.38 -0.65 0.00 0.00 174.74 170.69 2kcm s HIS 70 N 1.41 -0.44 -1.21 3.88 -3.43 -1.26 -4.96 115.29 109.28 2kcm s HIS 70 Ca 0.20 0.77 -0.35 0.00 -0.80 0.00 0.00 55.06 54.88 2kcm s HIS 70 Cb 0.05 0.26 0.05 0.00 -1.43 0.00 0.00 32.58 31.51 2kcm s HIS 70 CO -0.11 -0.49 0.68 1.58 -2.00 0.00 0.00 174.74 174.40 2kcm n HIS 71 N 1.19 -1.38 -3.70 0.38 -0.00 -1.26 -4.94 115.22 105.51 2kcm n HIS 71 Ca -0.20 0.06 -0.10 0.00 -0.00 0.00 0.00 57.72 57.49 2kcm n HIS 71 Cb 0.56 -2.75 -0.04 0.00 -0.00 0.00 0.00 29.99 27.76 2kcm n HIS 71 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcm s HIS 72 N -3.51 -0.13 0.11 1.57 5.04 -1.26 -5.18 115.29 111.93 2kcm s HIS 72 Ca 0.49 -0.20 -0.17 0.00 -1.54 0.00 0.00 55.06 53.63 2kcm s HIS 72 Cb -0.27 0.33 0.04 0.00 0.04 0.00 0.00 32.58 32.72 2kcm s HIS 72 CO 0.98 -0.84 0.43 -3.38 -2.34 0.00 0.00 174.74 169.59 2kcm s HIS 73 N -3.85 -0.26 0.00 3.88 -3.43 -1.26 -5.18 115.29 105.18 2kcm s HIS 73 Ca 0.07 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 2kcm s HIS 73 Cb 0.00 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 2kcm s HIS 73 CO -0.06 -0.70 0.00 -2.39 -2.00 0.00 0.00 174.74 169.59