#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 2.34 0.00 0.03 -2.85 -1.26 -4.60 119.74 113.40 2kcm s LYS 2 Ca 0.00 -1.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.21 2kcm s LYS 2 Cb 0.00 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.64 2kcm s LYS 2 CO 0.00 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.67 2kcm n GLY 3 N -1.40 3.90 3.08 0.59 0.00 -1.22 -3.18 105.19 106.95 2kcm n GLY 3 Ca 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 3.24 0.86 -0.43 1.61 1.02 -0.04 -2.29 119.74 123.72 2kcm s LYS 4 Ca 0.00 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.21 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 0.22 1.06 0.54 -0.92 0.00 0.00 175.35 176.24 2kcm s VAL 5 N -0.48 4.37 0.18 3.17 0.11 -0.98 0.08 120.40 126.86 2kcm s VAL 5 Ca 0.03 1.24 -0.05 0.00 -2.93 0.00 0.00 61.98 60.27 2kcm s VAL 5 Cb -0.05 -4.50 -0.04 0.00 -1.53 0.00 0.00 36.38 30.26 2kcm s VAL 5 CO 0.00 -0.80 1.51 1.62 -3.33 0.00 0.00 175.10 174.11 2kcm h VAL 6 N 6.04 1.30 -2.18 2.04 3.04 -1.88 -3.27 116.25 121.34 2kcm h VAL 6 Ca -0.23 -1.66 0.07 0.00 -1.01 0.00 0.00 66.70 63.87 2kcm h VAL 6 Cb 1.07 1.60 -0.17 0.00 -2.01 0.00 0.00 31.29 31.77 2kcm h VAL 6 CO 1.07 0.53 0.43 -0.55 -1.01 0.00 0.00 177.57 178.04 2kcm s SER 7 N -6.89 -0.43 -0.27 3.17 0.15 -1.09 -4.79 113.70 103.56 2kcm s SER 7 Ca -0.09 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 2kcm s SER 7 Cb 0.11 0.41 0.15 0.00 -1.71 0.00 0.00 66.02 64.99 2kcm s SER 7 CO 0.85 -0.60 0.44 -0.47 1.20 0.00 0.00 173.24 174.66 2kcm s TYR 8 N -2.53 -1.09 -0.18 3.44 5.04 -1.26 -2.26 117.35 118.51 2kcm s TYR 8 Ca 0.01 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.56 2kcm s TYR 8 Cb -0.01 0.12 -0.01 0.00 0.35 0.00 0.00 41.96 42.41 2kcm s TYR 8 CO -0.05 -0.83 -0.07 -0.51 -1.34 0.00 0.00 175.55 172.75 2kcm s LEU 9 N 2.63 2.88 0.28 6.97 1.43 -1.26 -4.96 118.68 126.65 2kcm s LEU 9 Ca 0.14 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2kcm s LEU 9 Cb -0.14 -1.70 0.41 0.00 0.03 0.00 0.00 46.19 44.79 2kcm s LEU 9 CO -0.20 0.07 1.72 0.00 0.23 0.00 0.00 176.35 178.16 2kcm h ALA 10 N 7.46 1.10 -0.71 4.21 0.00 -1.91 -2.87 119.26 126.54 2kcm h ALA 10 Ca -0.35 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.26 2kcm h ALA 10 Cb 1.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2kcm h ALA 10 CO 0.59 0.56 0.47 0.00 0.00 0.00 0.00 179.25 180.87 2kcm h ALA 11 N 1.31 1.65 -0.20 0.00 0.00 -1.94 0.35 119.26 120.43 2kcm h ALA 11 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kcm h ALA 11 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kcm h ALA 11 CO 0.05 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.19 2kcm n LYS 12 N -4.47 1.61 0.00 0.00 4.01 -1.09 -4.86 118.16 113.36 2kcm n LYS 12 Ca 0.10 -0.94 0.00 0.00 -0.51 0.00 0.00 58.31 56.96 2kcm n LYS 12 Cb 0.17 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kcm n LYS 13 N 0.20 0.00 -3.65 1.97 5.02 0.12 -4.77 118.16 117.05 2kcm n LYS 13 Ca 0.13 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 2kcm n LYS 13 Cb 0.26 -3.08 -0.02 0.00 -0.02 0.00 0.00 35.03 32.17 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 -0.48 -0.34 0.00 2.13 -0.85 -1.20 -4.16 117.35 112.44 2kcm s TYR 14 Ca 0.00 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.57 2kcm s TYR 14 Cb 0.00 0.63 0.00 0.00 0.38 0.00 0.00 41.96 42.97 2kcm s TYR 14 CO 0.00 -1.02 0.00 0.41 -1.52 0.00 0.00 175.55 173.42 2kcm n GLY 15 N -0.42 5.25 3.15 5.49 0.00 -1.26 -4.30 105.19 113.11 2kcm n GLY 15 Ca -0.10 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 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 2.94 1.03 -0.02 1.61 0.08 -0.96 -4.15 117.98 118.51 2kcm s PHE 16 Ca 0.00 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.51 2kcm s PHE 16 Cb 0.00 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.88 2kcm s PHE 16 CO 0.00 0.00 -0.07 0.42 -0.10 0.00 0.00 175.22 175.47 2kcm s ILE 17 N -1.85 0.60 -0.60 0.64 1.01 -1.22 -2.68 121.20 117.11 2kcm s ILE 17 Ca -0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 2kcm s ILE 17 Cb -0.07 -0.53 0.09 0.00 0.01 0.00 0.00 42.46 41.96 2kcm s ILE 17 CO 0.01 0.19 0.78 -1.58 0.00 0.00 0.00 174.94 174.33 2kcm s GLN 18 N 0.07 3.08 1.06 2.79 0.74 0.11 -3.40 119.66 124.11 2kcm s GLN 18 Ca -0.01 -1.11 -0.16 0.00 0.05 0.00 0.00 55.36 54.14 2kcm s GLN 18 Cb -0.06 -4.23 0.22 0.00 1.10 0.00 0.00 33.01 30.04 2kcm s GLN 18 CO -0.00 -1.59 1.14 0.20 -0.55 0.00 0.00 175.29 174.49 2kcm s GLY 19 N 3.53 1.60 0.22 2.59 0.00 -1.14 -0.86 107.32 113.26 2kcm s GLY 19 Ca 0.15 -0.74 -0.07 0.00 0.00 0.00 0.00 44.72 44.06 2kcm s GLY 19 CO 0.08 -0.01 1.78 -1.80 0.00 0.00 0.00 173.10 173.15 2kcm h ASP 20 N -2.07 1.06 0.06 1.64 3.58 -1.86 -1.14 116.42 117.69 2kcm h ASP 20 Ca -0.49 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 56.78 2kcm h ASP 20 Cb 1.31 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2kcm h ASP 20 CO 0.47 0.96 -0.00 -0.67 -2.88 0.00 0.00 179.24 177.12 2kcm n ASP 21 N -4.27 0.14 0.00 2.28 2.03 -1.26 -4.85 116.55 110.62 2kcm n ASP 21 Ca 0.07 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.42 2kcm n ASP 21 Cb 0.21 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 1.05 0.57 3.70 0.27 0.00 -0.43 -5.02 105.19 105.33 2kcm n GLY 22 Ca 0.23 -0.16 -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 4.42 0.46 1.61 0.41 -1.26 -4.69 118.70 119.21 2kcm s GLU 23 Ca 0.00 1.03 -0.21 0.00 -0.41 0.00 0.00 54.97 55.37 2kcm s GLU 23 Cb 0.00 -3.49 -0.08 0.00 -1.78 0.00 0.00 34.13 28.78 2kcm s GLU 23 CO 0.00 -0.07 1.06 -1.54 -0.49 0.00 0.00 175.26 174.22 2kcm s SER 24 N 0.94 6.40 -0.02 -0.19 1.04 -1.26 -2.90 113.70 117.72 2kcm s SER 24 Ca 0.41 2.01 0.02 0.00 0.48 0.00 0.00 55.95 58.87 2kcm s SER 24 Cb -0.18 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2kcm s SER 24 CO 0.19 -0.74 -0.06 -0.31 0.98 0.00 0.00 173.24 173.29 2kcm s TYR 25 N -1.83 0.69 0.19 5.02 2.02 -1.22 -4.83 117.35 117.38 2kcm s TYR 25 Ca 0.65 -0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.90 2kcm s TYR 25 Cb -0.20 -0.50 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 2kcm s TYR 25 CO 0.24 -0.07 0.96 -0.06 -1.57 0.00 0.00 175.55 175.05 2kcm s PHE 26 N 0.16 3.89 -0.69 2.71 0.08 -1.26 -3.39 117.98 119.48 2kcm s PHE 26 Ca -0.02 1.85 -0.05 0.00 0.12 0.00 0.00 56.93 58.83 2kcm s PHE 26 Cb -0.07 -3.03 0.18 0.00 -0.57 0.00 0.00 43.02 39.53 2kcm s PHE 26 CO -0.00 0.29 0.54 -1.17 -0.10 0.00 0.00 175.22 174.78 2kcm s LEU 27 N -0.69 5.58 0.41 -0.37 0.20 -1.26 -3.54 118.68 119.00 2kcm s LEU 27 Ca 0.44 -2.91 0.03 0.00 0.69 0.00 0.00 54.13 52.38 2kcm s LEU 27 Cb -0.25 -1.93 -0.00 0.00 -0.43 0.00 0.00 46.19 43.57 2kcm s LEU 27 CO 0.32 -0.39 0.59 -2.28 -0.29 0.00 0.00 176.35 174.30 2kcm s HIS 28 N -0.15 3.15 0.20 5.38 2.46 -1.26 -3.88 115.29 121.19 2kcm s HIS 28 Ca 0.18 0.03 -0.09 0.00 0.47 0.00 0.00 55.06 55.65 2kcm s HIS 28 Cb -0.17 -2.21 0.12 0.00 -0.13 0.00 0.00 32.58 30.19 2kcm s HIS 28 CO -0.05 -0.25 1.73 0.74 -2.47 0.00 0.00 174.74 174.44 2kcm h PHE 29 N 0.58 1.14 0.00 3.88 0.04 -1.97 -2.05 116.94 118.57 2kcm h PHE 29 Ca -0.46 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.20 2kcm h PHE 29 Cb 1.26 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.08 2kcm h PHE 29 CO 0.44 0.91 0.00 1.03 -0.60 0.00 0.00 178.31 180.08 2kcm h SER 30 N 1.05 0.00 0.42 2.17 0.87 -1.96 0.51 113.55 116.61 2kcm h SER 30 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2kcm h SER 30 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2kcm h SER 30 CO -0.01 0.00 -0.11 -0.62 -0.53 0.00 0.00 176.83 175.56 2kcm n GLU 31 N -2.82 0.60 -3.70 2.24 1.02 -0.77 -4.75 120.64 112.45 2kcm n GLU 31 Ca -0.02 -0.19 -0.36 0.00 -0.02 0.00 0.00 57.16 56.57 2kcm n GLU 31 Cb 0.10 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.53 4.06 0.19 -4.62 1.43 0.17 -3.05 118.68 114.32 2kcm s LEU 32 Ca 0.27 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 2kcm s LEU 32 Cb 0.20 -2.08 0.11 0.00 0.03 0.00 0.00 46.19 44.44 2kcm s LEU 32 CO 0.49 0.07 1.74 -0.07 0.23 0.00 0.00 176.35 178.81 2kcm h LEU 33 N 7.45 0.95 -7.53 1.79 3.38 -1.85 -3.40 115.31 116.10 2kcm h LEU 33 Ca -0.38 -0.19 -0.54 0.00 0.09 0.00 0.00 57.88 56.87 2kcm h LEU 33 Cb 1.17 -0.25 -0.38 0.00 0.09 0.00 0.00 40.66 41.29 2kcm h LEU 33 CO 0.66 0.88 -0.78 -1.81 0.09 0.00 0.00 178.44 177.48 2kcm s ASP 34 N -6.25 2.75 0.10 -0.43 1.01 -1.26 -4.98 116.67 107.62 2kcm s ASP 34 Ca -0.13 -0.65 0.12 0.00 0.71 0.00 0.00 52.55 52.60 2kcm s ASP 34 Cb 0.14 -0.81 0.55 0.00 1.01 0.00 0.00 42.92 43.82 2kcm s ASP 34 CO 0.82 -0.21 1.37 0.29 0.21 0.00 0.00 175.17 177.64 2kcm n LYS 35 N 4.93 0.06 -0.21 8.23 5.02 -1.26 -2.03 118.16 132.90 2kcm n LYS 35 Ca -0.11 0.45 -0.05 0.00 -2.02 0.00 0.00 58.31 56.58 2kcm n LYS 35 Cb 0.48 -1.65 0.11 0.00 -0.02 0.00 0.00 35.03 33.95 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 1.01 0.00 1.97 1.57 -1.97 -1.01 116.57 118.15 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 0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2kcm h LYS 36 CO 0.00 0.89 0.00 -0.25 -0.57 0.00 0.00 179.45 179.52 2kcm n ASP 37 N -4.25 0.00 -0.36 0.86 8.00 -0.86 -3.06 116.55 116.88 2kcm n ASP 37 Ca 0.05 0.05 0.03 0.00 0.71 0.00 0.00 54.79 55.63 2kcm n ASP 37 Cb 0.24 -0.27 0.19 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.12 0.00 -1.24 4.81 -1.33 0.10 114.58 118.04 2kcm h GLU 38 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2kcm h GLU 38 Cb 0.13 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2kcm h GLU 38 CO 0.00 0.74 0.00 0.41 -0.73 0.00 0.00 179.01 179.43 2kcm n GLY 39 N -1.37 -1.43 0.73 1.92 0.00 -1.17 -2.82 105.19 101.05 2kcm n GLY 39 Ca 0.15 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.46 1.95 -2.00 1.61 4.01 0.31 -4.95 118.16 117.64 2kcm n LYS 40 Ca 0.08 -1.48 -0.38 0.00 -0.51 0.00 0.00 58.31 56.03 2kcm n LYS 40 Cb 0.31 -1.47 0.02 0.00 -0.51 0.00 0.00 35.03 33.38 2kcm n LYS 40 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2kcm s LEU 41 N -2.06 3.90 -0.21 -0.35 1.43 -0.95 -4.95 118.68 115.48 2kcm s LEU 41 Ca 0.30 2.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.92 2kcm s LEU 41 Cb 0.20 -4.30 0.01 0.00 0.03 0.00 0.00 46.19 42.13 2kcm s LEU 41 CO 0.34 -1.31 -0.09 0.54 0.23 0.00 0.00 176.35 176.06 2kcm s VAL 42 N -1.43 2.87 0.03 -1.59 0.11 -1.26 -5.10 120.40 114.03 2kcm s VAL 42 Ca 0.69 -0.74 -0.15 0.00 -2.93 0.00 0.00 61.98 58.85 2kcm s VAL 42 Cb -0.34 -2.31 -0.06 0.00 -1.53 0.00 0.00 36.38 32.13 2kcm s VAL 42 CO 0.41 0.41 0.45 -0.75 -3.33 0.00 0.00 175.10 172.29 2kcm s LYS 43 N 1.39 3.97 0.00 1.54 2.20 -1.26 -4.19 119.74 123.39 2kcm s LYS 43 Ca 0.04 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 2kcm s LYS 43 Cb -0.14 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2kcm s LYS 43 CO -0.07 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 2kcm n GLY 44 N 1.66 0.54 0.00 5.54 0.00 -1.23 -5.03 105.19 106.66 2kcm n GLY 44 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.70 0.00 -4.77 1.61 2.88 -1.26 -5.00 113.62 108.78 2kcm n SER 45 Ca 0.00 -0.50 -0.39 0.00 -1.33 0.00 0.00 58.87 56.65 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 -0.50 4.68 -0.03 -1.46 -1.94 -1.26 -2.31 119.30 116.49 2kcm s MET 46 Ca 0.00 1.29 0.02 0.00 -1.71 0.00 0.00 55.69 55.29 2kcm s MET 46 Cb 0.00 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.60 2kcm s MET 46 CO 0.00 0.54 -0.09 0.14 -0.01 0.00 0.00 175.02 175.60 2kcm s VAL 47 N -1.19 0.74 -0.16 -6.03 -7.23 -0.97 -4.53 120.40 101.04 2kcm s VAL 47 Ca 0.39 -0.34 -0.16 0.00 -1.81 0.00 0.00 61.98 60.06 2kcm s VAL 47 Cb -0.24 -0.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 2kcm s VAL 47 CO 0.28 0.24 0.38 -2.28 -0.31 0.00 0.00 175.10 173.41 2kcm s HIS 48 N 0.22 3.46 0.05 2.82 5.65 -0.79 -3.45 115.29 123.23 2kcm s HIS 48 Ca -0.03 0.70 -0.06 0.00 0.25 0.00 0.00 55.06 55.91 2kcm s HIS 48 Cb -0.08 -2.45 -0.01 0.00 -1.18 0.00 0.00 32.58 28.85 2kcm s HIS 48 CO 0.00 0.16 0.11 -0.59 -0.65 0.00 0.00 174.74 173.77 2kcm s PHE 49 N 0.72 0.20 -0.33 3.88 -0.71 -1.26 -0.84 117.98 119.63 2kcm s PHE 49 Ca 0.20 -0.53 -0.06 0.00 -1.04 0.00 0.00 56.93 55.50 2kcm s PHE 49 Cb -0.14 -0.14 0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2kcm s PHE 49 CO 0.07 -0.40 0.09 -0.51 -1.34 0.00 0.00 175.22 173.14 2kcm s ASP 50 N -2.27 5.26 0.50 1.98 1.11 -1.12 -4.75 116.67 117.38 2kcm s ASP 50 Ca -0.03 -1.09 -0.21 0.00 0.18 0.00 0.00 52.55 51.40 2kcm s ASP 50 Cb 0.00 -1.86 -0.09 0.00 1.07 0.00 0.00 42.92 42.04 2kcm s ASP 50 CO -0.06 -0.30 0.82 -2.65 1.18 0.00 0.00 175.17 174.15 2kcm n PRO 51 N 4.81 0.93 -4.14 8.23 -0.02 -1.26 -2.60 135.00 140.94 2kcm n PRO 51 Ca -0.13 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.40 2kcm n PRO 51 Cb 0.45 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.47 3.92 -0.91 3.45 -4.23 -1.17 -4.85 115.64 110.39 2kcm s THR 52 Ca 0.68 -1.05 -0.25 0.00 -1.18 0.00 0.00 61.69 59.88 2kcm s THR 52 Cb -0.50 -2.87 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 2kcm s THR 52 CO 0.54 0.10 2.09 -2.16 -0.54 0.00 0.00 174.62 174.65 2kcm s PRO 53 N -2.34 2.20 -0.39 3.99 0.04 -1.26 -4.69 135.00 132.54 2kcm s PRO 53 Ca 0.25 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 2kcm s PRO 53 Cb -0.11 -4.99 0.20 0.00 0.04 0.00 0.00 34.50 29.63 2kcm s PRO 53 CO 0.18 -3.86 0.97 -0.08 0.04 0.00 0.00 177.00 174.24 2kcm s THR 54 N 11.92 -0.45 0.49 1.26 -1.32 -1.26 -5.02 115.64 121.27 2kcm s THR 54 Ca 0.77 -0.35 0.22 0.00 -1.21 0.00 0.00 61.69 61.13 2kcm s THR 54 Cb -0.08 0.00 0.39 0.00 -1.51 0.00 0.00 72.50 71.30 2kcm s THR 54 CO 0.04 0.00 1.96 -0.65 -2.21 0.00 0.00 174.62 173.76 2kcm h PRO 55 N 4.79 0.15 -4.58 7.08 0.11 -2.01 -2.94 132.00 134.60 2kcm h PRO 55 Ca 0.01 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 65.41 2kcm h PRO 55 Cb 1.16 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 31.93 2kcm h PRO 55 CO -0.06 0.10 -0.57 0.15 -0.21 0.00 0.00 178.00 177.41 2kcm s LYS 56 N -5.16 2.43 0.00 1.05 -0.14 -1.26 -4.51 119.74 112.15 2kcm s LYS 56 Ca -0.06 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.11 2kcm s LYS 56 Cb 0.20 -3.54 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 2kcm s LYS 56 CO 0.75 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.90 2kcm n GLY 57 N 4.76 3.74 1.94 -3.33 0.00 -1.26 -5.05 105.19 105.99 2kcm n GLY 57 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -6.10 -3.65 0.99 4.77 -1.11 -4.75 117.00 107.15 2kcm n LEU 58 Ca 0.00 3.22 -0.15 0.00 -0.03 0.00 0.00 56.01 59.05 2kcm n LEU 58 Cb 0.00 -3.18 -0.07 0.00 -2.33 0.00 0.00 43.42 37.84 2kcm n LEU 58 CO 0.00 -0.75 0.21 0.00 -1.33 0.00 0.00 177.39 175.52 2kcm s ALA 59 N -1.80 -1.21 0.09 -1.18 0.00 -1.26 -4.07 121.76 112.33 2kcm s ALA 59 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2kcm s ALA 59 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2kcm s ALA 59 CO 0.00 -0.33 0.18 0.00 0.00 0.00 0.00 175.76 175.61 2kcm s ALA 60 N -1.41 3.84 -0.03 0.00 0.00 -1.23 -3.02 121.76 119.90 2kcm s ALA 60 Ca -0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2kcm s ALA 60 Cb -0.03 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.45 2kcm s ALA 60 CO 0.06 0.73 0.07 0.21 0.00 0.00 0.00 175.76 176.82 2kcm s LYS 61 N -2.66 0.03 -0.87 0.00 2.47 -1.07 -4.71 119.74 112.94 2kcm s LYS 61 Ca 0.33 0.19 -0.04 0.00 -1.56 0.00 0.00 55.97 54.89 2kcm s LYS 61 Cb -0.12 -0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.11 2kcm s LYS 61 CO 0.26 -0.10 0.74 0.00 0.16 0.00 0.00 175.35 176.40 2kcm n ALA 62 N 3.75 -2.56 -2.35 3.13 0.00 -1.17 -2.81 120.51 118.49 2kcm n ALA 62 Ca -0.21 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2kcm n ALA 62 Cb 0.54 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.46 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 -3.13 4.67 0.06 0.00 1.01 -1.26 -4.15 121.20 118.40 2kcm s ILE 63 Ca 0.15 1.72 0.05 0.00 0.00 0.00 0.00 60.65 62.56 2kcm s ILE 63 Cb -0.04 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2kcm s ILE 63 CO 0.79 0.36 -0.13 -0.94 0.00 0.00 0.00 174.94 175.02 2kcm s SER 64 N -0.09 1.57 0.07 3.58 1.04 -0.02 -4.89 113.70 114.96 2kcm s SER 64 Ca 0.40 -0.56 -0.09 0.00 0.48 0.00 0.00 55.95 56.18 2kcm s SER 64 Cb -0.21 -0.06 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 2kcm s SER 64 CO 0.24 -0.06 0.37 -1.48 0.98 0.00 0.00 173.24 173.30 2kcm s LEU 65 N -1.54 4.35 0.00 2.42 2.34 -1.26 -1.89 118.68 123.09 2kcm s LEU 65 Ca -0.02 0.74 0.00 0.00 0.06 0.00 0.00 54.13 54.91 2kcm s LEU 65 Cb -0.09 -2.93 0.00 0.00 -0.56 0.00 0.00 46.19 42.61 2kcm s LEU 65 CO 0.02 0.19 0.12 -0.81 -1.06 0.00 0.00 176.35 174.81 2kcm n PRO 66 N 0.93 0.00 -1.24 1.48 -0.04 -1.26 -4.77 135.00 130.09 2kcm n PRO 66 Ca -0.08 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2kcm n PRO 66 Cb 0.52 -0.51 -0.01 0.00 -0.04 0.00 0.00 33.50 33.47 2kcm n PRO 66 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kcm n LEU 67 N -0.30 -0.19 0.00 1.53 7.94 -1.26 -4.42 117.00 120.30 2kcm n LEU 67 Ca 0.00 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2kcm n LEU 67 Cb 0.00 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2kcm n LEU 67 CO 0.00 -0.12 0.00 -0.62 -1.11 0.00 0.00 177.39 175.54 2kcm n GLU 68 N -1.33 0.00 -3.76 1.96 1.02 -1.26 -4.57 120.64 112.70 2kcm n GLU 68 Ca -0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 2kcm n GLU 68 Cb 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kcm s HIS 69 N 0.00 -0.24 0.49 -0.32 5.65 -1.26 -5.15 115.29 114.46 2kcm s HIS 69 Ca 0.00 0.49 -0.21 0.00 0.25 0.00 0.00 55.06 55.59 2kcm s HIS 69 Cb 0.00 0.10 -0.07 0.00 -1.18 0.00 0.00 32.58 31.43 2kcm s HIS 69 CO 0.00 -0.30 1.11 -1.01 -0.65 0.00 0.00 174.74 173.89 2kcm s HIS 70 N -0.74 2.87 0.25 3.88 3.76 -1.26 -4.98 115.29 119.07 2kcm s HIS 70 Ca -0.08 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 2kcm s HIS 70 Cb -0.04 -3.25 -0.09 0.00 1.11 0.00 0.00 32.58 30.31 2kcm s HIS 70 CO 0.03 -1.28 1.27 -1.58 -0.85 0.00 0.00 174.74 172.32 2kcm s HIS 71 N -1.74 3.26 -0.14 1.40 2.46 -1.26 -4.21 115.29 115.07 2kcm s HIS 71 Ca 0.67 1.36 -0.03 0.00 0.47 0.00 0.00 55.06 57.53 2kcm s HIS 71 Cb -0.23 -3.56 0.00 0.00 -0.13 0.00 0.00 32.58 28.66 2kcm s HIS 71 CO 0.28 -1.63 0.07 1.58 -2.47 0.00 0.00 174.74 172.57 2kcm n HIS 72 N 1.89 -1.49 -2.90 3.88 -0.00 -1.26 -4.89 115.22 110.44 2kcm n HIS 72 Ca 0.03 0.65 -0.40 0.00 0.46 0.00 0.00 57.72 58.46 2kcm n HIS 72 Cb 0.43 -2.05 -0.05 0.00 -0.12 0.00 0.00 29.99 28.20 2kcm n HIS 72 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kcm s HIS 73 N -1.27 3.78 -2.00 1.57 -3.43 -1.26 -5.28 115.29 107.39 2kcm s HIS 73 Ca 0.04 1.59 0.24 0.00 -0.80 0.00 0.00 55.06 56.12 2kcm s HIS 73 Cb -0.01 -2.89 1.42 0.00 -1.43 0.00 0.00 32.58 29.67 2kcm s HIS 73 CO 0.32 0.27 1.78 1.58 -2.00 0.00 0.00 174.74 176.70