#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 2.94 0.08 0.03 1.02 -1.26 -2.55 119.74 120.01 2kcm s LYS 2 Ca 0.00 -1.14 -0.06 0.00 0.02 0.00 0.00 55.97 54.79 2kcm s LYS 2 Cb 0.00 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2kcm s LYS 2 CO 0.00 0.05 0.28 0.41 -0.92 0.00 0.00 175.35 175.17 2kcm n GLY 3 N -1.55 1.36 2.89 -3.33 0.00 -0.58 -3.97 105.19 100.01 2kcm n GLY 3 Ca -0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.02 0.06 0.07 1.61 2.20 -0.59 -1.69 119.74 119.37 2kcm s LYS 4 Ca 0.06 0.38 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 2kcm s LYS 4 Cb -0.01 -0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.04 2kcm s LYS 4 CO 0.03 -0.19 1.17 0.54 -0.36 0.00 0.00 175.35 176.54 2kcm s VAL 5 N 1.35 4.08 -0.21 4.02 0.11 -0.98 0.29 120.40 129.06 2kcm s VAL 5 Ca -0.07 1.51 0.07 0.00 -2.93 0.00 0.00 61.98 60.56 2kcm s VAL 5 Cb -0.12 -3.97 -0.18 0.00 -1.53 0.00 0.00 36.38 30.59 2kcm s VAL 5 CO -0.06 0.13 -0.11 0.55 -3.33 0.00 0.00 175.10 172.29 2kcm n VAL 6 N 3.78 1.29 -3.55 2.04 3.14 -1.18 -1.94 118.33 121.91 2kcm n VAL 6 Ca 0.08 -0.60 -0.11 0.00 -2.96 0.00 0.00 64.34 60.76 2kcm n VAL 6 Cb 0.47 -1.03 -0.03 0.00 -1.06 0.00 0.00 33.84 32.19 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 -5.86 -0.44 -0.34 6.55 1.04 -1.10 -4.66 113.70 108.89 2kcm s SER 7 Ca -0.23 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.01 2kcm s SER 7 Cb 0.07 0.60 0.19 0.00 0.10 0.00 0.00 66.02 66.97 2kcm s SER 7 CO 0.60 -1.01 0.78 -0.47 0.98 0.00 0.00 173.24 174.11 2kcm s TYR 8 N -3.80 -1.28 -0.26 5.02 5.04 -1.26 -1.91 117.35 118.91 2kcm s TYR 8 Ca 0.04 0.42 -0.10 0.00 -2.44 0.00 0.00 57.07 54.99 2kcm s TYR 8 Cb -0.01 0.23 -0.05 0.00 0.35 0.00 0.00 41.96 42.48 2kcm s TYR 8 CO -0.09 -0.82 0.15 -0.51 -1.34 0.00 0.00 175.55 172.95 2kcm s LEU 9 N 2.29 3.94 0.20 6.97 1.02 -0.91 -4.94 118.68 127.25 2kcm s LEU 9 Ca 0.16 -0.00 0.25 0.00 0.02 0.00 0.00 54.13 54.56 2kcm s LEU 9 Cb -0.04 -2.07 0.88 0.00 0.02 0.00 0.00 46.19 44.98 2kcm s LEU 9 CO -0.16 -0.00 1.76 0.00 0.02 0.00 0.00 176.35 177.97 2kcm n ALA 10 N 4.73 2.10 -0.07 4.21 0.00 -1.26 -2.28 120.51 127.94 2kcm n ALA 10 Ca -0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2kcm n ALA 10 Cb 0.52 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 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 2.49 -0.17 -0.56 0.00 0.00 -1.92 -0.57 119.26 118.53 2kcm h ALA 11 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2kcm h ALA 11 Cb 0.61 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2kcm h ALA 11 CO 0.00 -0.25 0.00 1.17 0.00 0.00 0.00 179.25 180.17 2kcm n LYS 12 N -3.41 4.58 -3.28 0.00 4.81 -1.26 -4.95 118.16 114.66 2kcm n LYS 12 Ca 0.00 -2.98 -0.11 0.00 -0.87 0.00 0.00 58.31 54.36 2kcm n LYS 12 Cb 0.06 -2.19 0.02 0.00 0.02 0.00 0.00 35.03 32.94 2kcm n LYS 12 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kcm n LYS 13 N 0.67 -1.55 -3.93 1.64 5.02 -0.22 -5.02 118.16 114.76 2kcm n LYS 13 Ca 0.26 1.12 -0.08 0.00 -2.02 0.00 0.00 58.31 57.59 2kcm n LYS 13 Cb 1.12 -5.15 -0.03 0.00 -0.02 0.00 0.00 35.03 30.94 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 -3.16 0.12 -0.06 2.13 1.13 -0.96 -4.80 117.35 111.75 2kcm s TYR 14 Ca 0.18 -0.54 -0.31 0.00 -1.41 0.00 0.00 57.07 54.99 2kcm s TYR 14 Cb -0.04 0.45 0.12 0.00 -1.10 0.00 0.00 41.96 41.39 2kcm s TYR 14 CO 0.78 -1.14 1.23 0.20 -2.51 0.00 0.00 175.55 174.11 2kcm s GLY 15 N -2.98 -0.37 0.07 5.49 0.00 -1.19 -2.15 107.32 106.19 2kcm s GLY 15 Ca 0.17 0.93 0.04 0.00 0.00 0.00 0.00 44.72 45.86 2kcm s GLY 15 CO 0.09 0.24 -0.12 -1.36 0.00 0.00 0.00 173.10 171.95 2kcm s PHE 16 N -2.50 1.03 0.04 1.90 0.08 -0.80 -2.60 117.98 115.12 2kcm s PHE 16 Ca 0.12 -0.50 0.03 0.00 0.12 0.00 0.00 56.93 56.70 2kcm s PHE 16 Cb 0.03 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 2kcm s PHE 16 CO -0.04 0.01 -0.10 0.42 -0.10 0.00 0.00 175.22 175.41 2kcm s ILE 17 N -1.50 0.73 -0.31 0.64 1.01 -1.18 -2.69 121.20 117.89 2kcm s ILE 17 Ca -0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.47 2kcm s ILE 17 Cb -0.09 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2kcm s ILE 17 CO 0.01 -0.21 0.44 -1.58 0.00 0.00 0.00 174.94 173.60 2kcm s GLN 18 N -1.32 3.78 0.70 2.79 2.00 0.15 -2.63 119.66 125.12 2kcm s GLN 18 Ca -0.05 -0.10 -0.11 0.00 -2.00 0.00 0.00 55.36 53.10 2kcm s GLN 18 Cb -0.08 -3.74 0.01 0.00 0.80 0.00 0.00 33.01 29.99 2kcm s GLN 18 CO 0.01 -0.47 1.06 0.20 -0.50 0.00 0.00 175.29 175.59 2kcm s GLY 19 N 1.69 1.72 0.30 2.59 0.00 0.57 -1.55 107.32 112.64 2kcm s GLY 19 Ca 0.16 0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2kcm s GLY 19 CO 0.11 0.46 1.82 -1.80 0.00 0.00 0.00 173.10 173.69 2kcm h ASP 20 N -0.66 0.60 0.07 1.64 3.58 -1.84 -1.25 116.42 118.57 2kcm h ASP 20 Ca -0.44 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 56.88 2kcm h ASP 20 Cb 1.21 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2kcm h ASP 20 CO 0.56 0.68 -0.00 0.47 -2.88 0.00 0.00 179.24 178.07 2kcm n ASP 21 N -4.24 0.09 0.00 2.28 9.92 -1.26 -4.84 116.55 118.50 2kcm n ASP 21 Ca 0.02 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 2kcm n ASP 21 Cb 0.28 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2kcm n ASP 21 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kcm n GLY 22 N 1.05 0.50 3.73 0.44 0.00 -0.47 -5.05 105.19 105.38 2kcm n GLY 22 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2kcm n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kcm s GLU 23 N -0.86 4.67 0.61 1.61 -1.05 -1.26 -4.62 118.70 117.80 2kcm s GLU 23 Ca 0.00 1.43 -0.08 0.00 -0.15 0.00 0.00 54.97 56.16 2kcm s GLU 23 Cb 0.00 -3.39 -0.01 0.00 -0.44 0.00 0.00 34.13 30.29 2kcm s GLU 23 CO 0.00 0.17 0.96 -1.54 0.95 0.00 0.00 175.26 175.80 2kcm s SER 24 N 0.17 5.82 0.03 0.83 1.04 -1.26 -0.31 113.70 120.02 2kcm s SER 24 Ca 0.47 1.02 0.03 0.00 0.48 0.00 0.00 55.95 57.95 2kcm s SER 24 Cb -0.23 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 2kcm s SER 24 CO 0.29 -1.01 -0.08 -0.31 0.98 0.00 0.00 173.24 173.11 2kcm s TYR 25 N -3.08 0.72 -0.16 5.02 2.02 -1.08 -4.77 117.35 116.02 2kcm s TYR 25 Ca 0.54 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.67 2kcm s TYR 25 Cb -0.11 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2kcm s TYR 25 CO 0.49 -0.04 0.63 0.12 -1.57 0.00 0.00 175.55 175.18 2kcm s PHE 26 N -0.95 3.43 -0.25 2.71 5.36 -1.25 -3.10 117.98 123.94 2kcm s PHE 26 Ca -0.05 1.00 -0.09 0.00 -0.96 0.00 0.00 56.93 56.83 2kcm s PHE 26 Cb -0.07 -2.78 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 2kcm s PHE 26 CO 0.00 -0.09 0.11 -1.17 -1.46 0.00 0.00 175.22 172.62 2kcm s LEU 27 N 1.57 3.73 0.20 6.12 0.20 -1.07 -3.73 118.68 125.70 2kcm s LEU 27 Ca 0.30 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 55.06 2kcm s LEU 27 Cb -0.16 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 2kcm s LEU 27 CO 0.12 0.01 0.05 -2.28 -0.29 0.00 0.00 176.35 173.96 2kcm s HIS 28 N 1.38 1.27 0.23 5.38 2.46 -1.26 -3.18 115.29 121.56 2kcm s HIS 28 Ca 0.06 -1.13 -0.07 0.00 0.47 0.00 0.00 55.06 54.39 2kcm s HIS 28 Cb -0.15 -0.72 0.19 0.00 -0.13 0.00 0.00 32.58 31.78 2kcm s HIS 28 CO 0.05 -0.33 1.83 0.74 -2.47 0.00 0.00 174.74 174.57 2kcm h PHE 29 N 2.61 1.24 0.00 3.88 -1.00 -1.96 -1.56 116.94 120.15 2kcm h PHE 29 Ca -0.37 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.36 2kcm h PHE 29 Cb 1.22 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 40.39 2kcm h PHE 29 CO 0.48 0.88 -0.01 0.77 -1.61 0.00 0.00 178.31 178.82 2kcm h SER 30 N 1.23 0.00 0.33 2.17 0.02 -2.00 0.81 113.55 116.11 2kcm h SER 30 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2kcm h SER 30 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2kcm h SER 30 CO -0.04 0.01 -0.34 -0.62 -1.14 0.00 0.00 176.83 174.69 2kcm n GLU 31 N -3.29 0.54 -2.89 3.45 1.02 -0.60 -4.76 120.64 114.12 2kcm n GLU 31 Ca -0.03 -0.32 -0.43 0.00 -0.02 0.00 0.00 57.16 56.37 2kcm n GLU 31 Cb 0.10 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.68 4.19 0.18 -4.62 1.43 0.28 -3.67 118.68 113.79 2kcm s LEU 32 Ca 0.20 -0.29 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2kcm s LEU 32 Cb 0.19 -2.87 0.09 0.00 0.03 0.00 0.00 46.19 43.63 2kcm s LEU 32 CO 0.58 -1.11 1.71 -0.07 0.23 0.00 0.00 176.35 177.69 2kcm h LEU 33 N 10.65 0.95 -7.74 1.79 -0.00 -1.85 -3.35 115.31 115.75 2kcm h LEU 33 Ca -0.26 -0.21 -0.69 0.00 -0.00 0.00 0.00 57.88 56.72 2kcm h LEU 33 Cb 1.08 -0.25 -0.35 0.00 -0.00 0.00 0.00 40.66 41.14 2kcm h LEU 33 CO 1.04 0.90 -0.52 -1.81 -0.00 0.00 0.00 178.44 178.06 2kcm s ASP 34 N -6.28 5.18 0.48 -0.43 1.01 -1.26 -4.93 116.67 110.45 2kcm s ASP 34 Ca -0.12 -2.26 0.22 0.00 0.71 0.00 0.00 52.55 51.09 2kcm s ASP 34 Cb 0.14 -1.81 1.24 0.00 1.01 0.00 0.00 42.92 43.49 2kcm s ASP 34 CO 0.82 -0.48 2.03 0.11 0.21 0.00 0.00 175.17 177.85 2kcm h LYS 35 N 7.73 0.00 -0.01 8.23 1.57 -1.94 -1.62 116.57 130.53 2kcm h LYS 35 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2kcm h LYS 35 Cb 1.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2kcm h LYS 35 CO 0.69 0.16 0.01 1.57 -0.57 0.00 0.00 179.45 181.31 2kcm h LYS 36 N 0.00 0.00 0.00 3.15 2.10 -1.95 0.32 116.57 120.19 2kcm h LYS 36 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kcm h LYS 36 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2kcm h LYS 36 CO 0.02 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.22 2kcm n ASP 37 N -4.21 0.00 -0.04 7.07 8.00 -0.61 -2.99 116.55 123.76 2kcm n ASP 37 Ca -0.03 0.43 -0.02 0.00 0.71 0.00 0.00 54.79 55.88 2kcm n ASP 37 Cb 0.10 -0.47 0.24 0.00 -0.02 0.00 0.00 41.12 40.97 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 0.62 0.00 -1.24 4.81 -0.48 -1.48 114.58 116.82 2kcm h GLU 38 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2kcm h GLU 38 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2kcm h GLU 38 CO 0.00 0.65 0.00 0.41 -0.73 0.00 0.00 179.01 179.34 2kcm n GLY 39 N -0.76 -0.62 2.50 1.92 0.00 -1.16 -3.48 105.19 103.59 2kcm n GLY 39 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2kcm n GLY 39 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kcm n LYS 40 N -0.95 1.03 -0.04 1.61 2.85 -0.57 -5.13 118.16 116.95 2kcm n LYS 40 Ca 0.13 -2.64 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 2kcm n LYS 40 Cb 0.06 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 2kcm n LYS 40 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kcm n LEU 41 N 0.20 0.00 -4.45 -5.58 4.77 -1.13 -4.97 117.00 105.83 2kcm n LEU 41 Ca 0.13 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 2kcm n LEU 41 Cb 0.71 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.70 2kcm n LEU 41 CO 0.12 -0.30 -0.48 0.68 -1.33 0.00 0.00 177.39 176.09 2kcm s VAL 42 N -0.45 2.38 -0.34 4.08 -7.23 -1.26 -5.12 120.40 112.47 2kcm s VAL 42 Ca 0.00 -2.37 0.02 0.00 -1.81 0.00 0.00 61.98 57.82 2kcm s VAL 42 Cb 0.00 -2.26 0.15 0.00 0.56 0.00 0.00 36.38 34.83 2kcm s VAL 42 CO 0.00 -0.42 0.36 -0.75 -0.31 0.00 0.00 175.10 173.99 2kcm s LYS 43 N -3.50 0.54 0.00 4.82 2.20 -1.26 -4.85 119.74 117.69 2kcm s LYS 43 Ca 0.29 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 2kcm s LYS 43 Cb -0.05 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.62 2kcm s LYS 43 CO 0.14 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.40 2kcm n GLY 44 N 4.61 1.46 3.04 5.54 0.00 -0.82 -5.03 105.19 114.00 2kcm n GLY 44 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.59 -4.80 1.61 7.64 -1.26 -4.71 113.62 112.69 2kcm n SER 45 Ca 0.00 -1.65 -0.36 0.00 1.01 0.00 0.00 58.87 57.88 2kcm n SER 45 Cb 0.00 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.49 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 -4.89 4.38 0.18 1.43 -1.94 -1.26 -2.33 119.30 114.87 2kcm s MET 46 Ca 0.56 1.11 0.03 0.00 -1.71 0.00 0.00 55.69 55.67 2kcm s MET 46 Cb -0.02 -2.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 2kcm s MET 46 CO 0.38 0.24 -0.02 0.14 -0.01 0.00 0.00 175.02 175.76 2kcm s VAL 47 N -1.73 0.85 -0.02 -6.03 -7.23 -0.68 -4.42 120.40 101.14 2kcm s VAL 47 Ca 0.51 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2kcm s VAL 47 Cb -0.16 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.65 2kcm s VAL 47 CO 0.20 -0.48 -0.05 -2.28 -0.31 0.00 0.00 175.10 172.19 2kcm s HIS 48 N -3.54 0.60 0.17 2.82 2.46 -1.12 -1.53 115.29 115.15 2kcm s HIS 48 Ca 0.24 -0.13 -0.14 0.00 0.47 0.00 0.00 55.06 55.50 2kcm s HIS 48 Cb 0.05 -0.47 0.02 0.00 -0.13 0.00 0.00 32.58 32.05 2kcm s HIS 48 CO 0.05 -0.08 0.41 -0.59 -2.47 0.00 0.00 174.74 172.05 2kcm s PHE 49 N 0.34 0.03 0.12 3.88 -0.12 -1.06 -0.53 117.98 120.65 2kcm s PHE 49 Ca -0.04 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 2kcm s PHE 49 Cb -0.08 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2kcm s PHE 49 CO -0.00 -0.80 0.22 -0.51 -0.05 0.00 0.00 175.22 174.08 2kcm s ASP 50 N -2.89 6.12 0.30 1.98 1.11 -0.63 -4.03 116.67 118.62 2kcm s ASP 50 Ca 0.10 0.13 -0.28 0.00 0.18 0.00 0.00 52.55 52.67 2kcm s ASP 50 Cb 0.01 -1.80 -0.14 0.00 1.07 0.00 0.00 42.92 42.07 2kcm s ASP 50 CO -0.04 0.10 1.13 -2.65 1.18 0.00 0.00 175.17 174.89 2kcm n PRO 51 N -0.18 1.62 -3.22 8.23 -0.02 -1.26 -3.57 135.00 136.60 2kcm n PRO 51 Ca -0.07 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 2kcm n PRO 51 Cb 0.53 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 2kcm n PRO 51 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2kcm s THR 52 N -0.96 -0.62 0.24 3.45 2.01 -1.25 -4.84 115.64 113.68 2kcm s THR 52 Ca 0.59 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 2kcm s THR 52 Cb -0.66 -0.37 0.21 0.00 0.01 0.00 0.00 72.50 71.69 2kcm s THR 52 CO 0.60 -0.34 1.77 -0.65 -0.69 0.00 0.00 174.62 175.31 2kcm h PRO 53 N 6.63 0.62 -2.77 4.92 0.11 -1.83 -3.00 132.00 136.67 2kcm h PRO 53 Ca 0.07 -0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.39 2kcm h PRO 53 Cb 1.10 -0.14 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 2kcm h PRO 53 CO 0.15 0.41 -0.88 0.25 -0.21 0.00 0.00 178.00 177.72 2kcm n THR 54 N -4.85 -0.61 -0.32 -1.15 -2.24 -1.26 -1.49 114.28 102.35 2kcm n THR 54 Ca 0.14 0.64 0.07 0.00 -2.27 0.00 0.00 64.05 62.64 2kcm n THR 54 Cb 0.34 -0.98 0.24 0.00 -2.10 0.00 0.00 70.33 67.83 2kcm n THR 54 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2kcm h PRO 55 N -1.32 0.76 -0.54 -0.78 0.11 -1.99 -1.81 132.00 126.45 2kcm h PRO 55 Ca -0.13 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2kcm h PRO 55 Cb 1.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2kcm h PRO 55 CO 0.05 0.50 0.19 0.87 -0.21 0.00 0.00 178.00 179.40 2kcm h LYS 56 N 0.79 0.82 0.00 1.05 1.57 -1.98 -3.48 116.57 115.34 2kcm h LYS 56 Ca 0.48 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2kcm h LYS 56 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2kcm h LYS 56 CO -0.32 0.74 0.00 0.41 -0.57 0.00 0.00 179.45 179.71 2kcm n GLY 57 N -0.73 2.70 3.43 3.86 0.00 -0.56 -5.07 105.19 108.82 2kcm n GLY 57 Ca 0.02 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 3.13 -0.02 0.99 1.43 -1.21 -4.23 118.68 118.77 2kcm s LEU 58 Ca 0.00 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.59 2kcm s LEU 58 Cb 0.00 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.51 2kcm s LEU 58 CO 0.00 0.09 0.62 0.00 0.23 0.00 0.00 176.35 177.29 2kcm s ALA 59 N 0.86 -1.62 -0.24 4.21 0.00 -1.13 -3.88 121.76 119.95 2kcm s ALA 59 Ca -0.00 1.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.99 2kcm s ALA 59 Cb -0.14 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2kcm s ALA 59 CO 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 175.76 175.38 2kcm s ALA 60 N -1.56 2.98 0.08 0.00 0.00 -1.24 -3.76 121.76 118.25 2kcm s ALA 60 Ca -0.10 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.76 2kcm s ALA 60 Cb -0.01 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2kcm s ALA 60 CO 0.06 -0.51 -0.17 0.21 0.00 0.00 0.00 175.76 175.35 2kcm s LYS 61 N 1.53 1.95 -0.82 0.00 2.20 -1.23 -4.69 119.74 118.68 2kcm s LYS 61 Ca 0.06 -1.07 -0.01 0.00 -0.36 0.00 0.00 55.97 54.59 2kcm s LYS 61 Cb -0.15 -2.17 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 2kcm s LYS 61 CO -0.00 0.51 0.69 0.00 -0.36 0.00 0.00 175.35 176.19 2kcm n ALA 62 N 1.12 -1.31 -1.97 3.13 0.00 -1.24 -1.61 120.51 118.63 2kcm n ALA 62 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 2kcm n ALA 62 Cb 0.52 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.24 3.37 0.09 0.00 1.01 -1.26 -4.26 121.20 116.90 2kcm s ILE 63 Ca 0.04 1.19 0.07 0.00 0.00 0.00 0.00 60.65 61.95 2kcm s ILE 63 Cb -0.02 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2kcm s ILE 63 CO 0.49 0.21 -0.19 -0.44 0.00 0.00 0.00 174.94 175.01 2kcm s SER 64 N 0.00 2.24 -0.48 3.58 0.01 0.31 -4.85 113.70 114.51 2kcm s SER 64 Ca 0.52 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 2kcm s SER 64 Cb -0.34 -0.11 0.13 0.00 0.21 0.00 0.00 66.02 65.90 2kcm s SER 64 CO 0.39 0.02 0.30 -1.48 0.41 0.00 0.00 173.24 172.89 2kcm s LEU 65 N -1.79 5.36 0.00 2.44 2.34 -1.26 -2.78 118.68 122.99 2kcm s LEU 65 Ca 0.04 -2.24 0.15 0.00 0.06 0.00 0.00 54.13 52.14 2kcm s LEU 65 Cb -0.10 -1.88 0.71 0.00 -0.56 0.00 0.00 46.19 44.36 2kcm s LEU 65 CO 0.03 -0.53 1.48 -0.81 -1.06 0.00 0.00 176.35 175.47 2kcm n PRO 66 N 4.35 1.33 0.00 1.48 -0.04 -1.26 -3.71 135.00 137.15 2kcm n PRO 66 Ca -0.00 -0.50 0.16 0.00 -0.04 0.00 0.00 63.50 63.11 2kcm n PRO 66 Cb 0.40 -1.27 0.86 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.23 0.25 -4.72 1.53 7.94 -1.26 -4.87 117.00 115.64 2kcm n LEU 67 Ca 0.12 -0.06 -0.41 0.00 -1.11 0.00 0.00 56.01 54.55 2kcm n LEU 67 Cb 0.16 -0.03 0.01 0.00 0.53 0.00 0.00 43.42 44.10 2kcm n LEU 67 CO 0.09 0.04 0.95 -0.62 -1.11 0.00 0.00 177.39 176.74 2kcm n GLU 68 N -0.83 2.08 -3.75 1.96 1.02 -1.24 -4.97 120.64 114.90 2kcm n GLU 68 Ca 0.22 0.74 -0.37 0.00 -0.02 0.00 0.00 57.16 57.73 2kcm n GLU 68 Cb 0.16 -2.46 -0.13 0.00 -0.02 0.00 0.00 31.44 29.00 2kcm n GLU 68 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kcm s HIS 69 N -1.18 3.15 0.34 -0.32 3.76 -1.26 -5.01 115.29 114.76 2kcm s HIS 69 Ca 0.60 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2kcm s HIS 69 Cb -0.50 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 30.93 2kcm s HIS 69 CO 0.59 -0.56 0.00 0.72 -0.85 0.00 0.00 174.74 174.64 2kcm n HIS 70 N 4.88 -2.50 -0.10 1.40 8.25 -1.26 -4.44 115.22 121.45 2kcm n HIS 70 Ca -0.15 1.32 -0.11 0.00 -0.26 0.00 0.00 57.72 58.52 2kcm n HIS 70 Cb 0.48 -2.27 -0.03 0.00 1.12 0.00 0.00 29.99 29.29 2kcm n HIS 70 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kcm h HIS 71 N -1.28 0.65 0.00 4.41 2.07 -2.05 -3.47 115.15 115.49 2kcm h HIS 71 Ca -0.07 -0.14 0.00 0.00 -2.85 0.00 0.00 60.37 57.31 2kcm h HIS 71 Cb 1.20 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 31.02 2kcm h HIS 71 CO 0.01 0.76 0.00 1.58 -3.07 0.00 0.00 177.93 177.21 2kcm n HIS 72 N -4.48 0.00 -3.18 6.12 -0.00 -1.26 -5.08 115.22 107.33 2kcm n HIS 72 Ca -0.03 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.07 2kcm n HIS 72 Cb 0.31 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.19 2kcm n HIS 72 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kcm n HIS 73 N 0.00 -1.14 -1.96 1.57 8.25 -1.26 -4.99 115.22 115.69 2kcm n HIS 73 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2kcm n HIS 73 Cb 0.00 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 29.48 2kcm n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56