#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0a n GLY 0 N 0.00 0.39 0.30 -0.02 0.00 -1.26 -4.97 105.19 99.64 2k0a n GLY 0 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 2k0a n GLY 0 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k0a h SER 1 N -0.29 0.90 -6.03 1.61 0.02 -2.13 -3.47 113.55 104.16 2k0a h SER 1 Ca -0.08 -0.22 -0.41 0.00 -0.84 0.00 0.00 61.79 60.24 2k0a h SER 1 Cb 1.05 -0.24 0.07 0.00 0.14 0.00 0.00 62.40 63.42 2k0a h SER 1 CO 0.07 0.93 -0.81 -0.24 -1.14 0.00 0.00 176.83 175.65 2k0a n SER 2 N -4.21 -1.97 -3.03 3.07 2.88 -1.26 -4.89 113.62 104.21 2k0a n SER 2 Ca 0.03 -0.77 -0.36 0.00 -1.33 0.00 0.00 58.87 56.44 2k0a n SER 2 Cb 0.30 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.50 2k0a n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k0a n ARG 3 N -4.33 3.47 -3.02 -1.46 5.12 -1.26 -4.98 116.66 110.20 2k0a n ARG 3 Ca -0.24 -3.40 -0.38 0.00 -1.93 0.00 0.00 57.85 51.90 2k0a n ARG 3 Cb 0.65 -2.33 -0.06 0.00 -1.16 0.00 0.00 32.46 29.56 2k0a n ARG 3 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2k0a s HIS 4 N -3.01 3.76 0.00 -1.55 3.76 -1.26 -4.93 115.29 112.06 2k0a s HIS 4 Ca 0.52 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 2k0a s HIS 4 Cb 0.34 -2.71 0.00 0.00 1.11 0.00 0.00 32.58 31.32 2k0a s HIS 4 CO -0.26 0.40 1.50 0.00 -0.85 0.00 0.00 174.74 175.53 2k0a n GLN 5 N 1.09 0.99 0.00 1.40 10.64 -1.26 -4.63 117.38 125.60 2k0a n GLN 5 Ca -0.03 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 2k0a n GLN 5 Cb 0.50 -1.01 0.00 0.00 -0.86 0.00 0.00 30.24 28.87 2k0a n GLN 5 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2k0a n PHE 6 N 1.02 0.00 -3.24 2.61 3.01 -1.26 -3.86 117.46 115.74 2k0a n PHE 6 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 2k0a n PHE 6 Cb 0.49 -0.25 0.06 0.00 -0.01 0.00 0.00 39.48 39.78 2k0a n PHE 6 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2k0a n ASP 7 N 0.02 -4.03 -2.95 4.37 9.92 -1.26 -4.91 116.55 117.70 2k0a n ASP 7 Ca 0.00 -0.44 -0.32 0.00 -0.53 0.00 0.00 54.79 53.51 2k0a n ASP 7 Cb 0.00 -3.99 -0.06 0.00 -0.64 0.00 0.00 41.12 36.43 2k0a n ASP 7 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k0a n LEU 8 N -3.73 7.43 -3.62 0.64 4.32 -1.25 -4.73 117.00 116.05 2k0a n LEU 8 Ca -0.08 -4.24 -0.42 0.00 -0.02 0.00 0.00 56.01 51.25 2k0a n LEU 8 Cb 0.58 -1.41 -0.03 0.00 -1.62 0.00 0.00 43.42 40.94 2k0a n LEU 8 CO 0.48 1.94 2.36 -0.38 -1.22 0.00 0.00 177.39 180.57 2k0a n ILE 9 N 2.29 2.48 -1.39 -0.08 -0.00 -1.26 -4.92 119.36 116.48 2k0a n ILE 9 Ca 0.61 -2.09 -0.37 0.00 -0.00 0.00 0.00 62.75 60.90 2k0a n ILE 9 Cb 0.43 -2.42 0.05 0.00 -0.00 0.00 0.00 39.64 37.71 2k0a n ILE 9 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.55 177.70 2k0a n MET 10 N 6.43 0.44 -0.30 0.38 0.00 -1.26 -2.48 117.12 120.34 2k0a n MET 10 Ca 0.51 0.18 -0.07 0.00 0.00 0.00 0.00 57.70 58.33 2k0a n MET 10 Cb 0.38 -1.79 -0.03 0.00 0.00 0.00 0.00 33.22 31.78 2k0a n MET 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k0a n LEU 12 N -5.39 -2.47 0.00 0.00 4.77 0.12 -4.90 117.00 109.13 2k0a n LEU 12 Ca 0.04 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 55.00 2k0a n LEU 12 Cb 0.35 -2.50 0.16 0.00 -2.33 0.00 0.00 43.42 39.09 2k0a n LEU 12 CO -0.08 0.44 0.57 0.29 -1.33 0.00 0.00 177.39 177.29 2k0a n LYS 13 N -4.62 -1.38 -2.14 3.23 5.02 -1.26 -4.46 118.16 112.55 2k0a n LYS 13 Ca 0.02 -1.40 -0.43 0.00 -2.02 0.00 0.00 58.31 54.48 2k0a n LYS 13 Cb 0.53 -1.03 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 2k0a n LYS 13 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2k0a s GLN 14 N -4.98 3.90 0.36 1.97 -0.44 -1.26 -1.62 119.66 117.58 2k0a s GLN 14 Ca 0.53 1.72 -0.27 0.00 -2.50 0.00 0.00 55.36 54.84 2k0a s GLN 14 Cb -0.02 -4.00 -0.09 0.00 -1.64 0.00 0.00 33.01 27.26 2k0a s GLN 14 CO 0.38 -1.17 1.14 -1.25 0.50 0.00 0.00 175.29 174.89 2k0a s PRO 15 N 4.45 4.27 0.00 1.67 0.04 -1.26 -4.11 135.00 140.07 2k0a s PRO 15 Ca 0.69 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2k0a s PRO 15 Cb -0.25 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.45 2k0a s PRO 15 CO 0.28 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.61 2k0a n GLY 16 N 0.76 1.86 0.18 0.56 0.00 0.31 -4.84 105.19 104.02 2k0a n GLY 16 Ca 0.02 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.12 2k0a n GLY 16 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2k0a h VAL 17 N 0.00 0.57 -2.75 1.61 3.04 -1.97 -3.41 116.25 113.34 2k0a h VAL 17 Ca 0.00 -1.65 -0.53 0.00 -1.01 0.00 0.00 66.70 63.52 2k0a h VAL 17 Cb 0.00 2.16 0.04 0.00 -2.01 0.00 0.00 31.29 31.48 2k0a h VAL 17 CO 0.00 0.30 0.94 -1.10 -1.01 0.00 0.00 177.57 176.71 2k0a s GLN 18 N -3.19 4.19 0.11 4.17 -1.52 -1.26 -4.93 119.66 117.23 2k0a s GLN 18 Ca 0.04 2.40 -0.27 0.00 -1.95 0.00 0.00 55.36 55.58 2k0a s GLN 18 Cb 0.08 -3.28 -0.06 0.00 -0.22 0.00 0.00 33.01 29.52 2k0a s GLN 18 CO 0.70 -0.67 0.85 0.99 -0.25 0.00 0.00 175.29 176.91 2k0a s THR 19 N 1.62 4.51 0.07 -0.19 2.01 -1.26 -1.26 115.64 121.13 2k0a s THR 19 Ca 0.72 1.84 -0.31 0.00 0.31 0.00 0.00 61.69 64.25 2k0a s THR 19 Cb -0.44 -4.21 -0.08 0.00 0.01 0.00 0.00 72.50 67.78 2k0a s THR 19 CO 0.32 0.40 1.56 -0.83 -0.69 0.00 0.00 174.62 175.38 2k0a s GLY 20 N -0.39 1.67 0.26 4.40 0.00 0.22 -4.78 107.32 108.69 2k0a s GLY 20 Ca 0.41 1.14 -0.27 0.00 0.00 0.00 0.00 44.72 46.00 2k0a s GLY 20 CO 0.27 2.72 0.90 1.08 0.00 0.00 0.00 173.10 178.07 2k0a s LEU 21 N 2.25 4.51 0.03 0.66 1.43 -1.26 -0.53 118.68 125.78 2k0a s LEU 21 Ca 0.70 1.83 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 2k0a s LEU 21 Cb -0.38 -3.71 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 2k0a s LEU 21 CO 0.31 0.08 -0.23 -0.76 0.23 0.00 0.00 176.35 175.97 2k0a s LEU 22 N -1.54 2.33 0.57 1.79 1.43 0.16 -0.43 118.68 122.99 2k0a s LEU 22 Ca 0.44 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 2k0a s LEU 22 Cb -0.22 -1.38 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2k0a s LEU 22 CO 0.28 0.27 1.01 0.00 0.23 0.00 0.00 176.35 178.13 2k0a h GLU 24 N 0.24 0.00 0.00 0.00 5.08 -1.93 0.24 114.58 118.20 2k0a h GLU 24 Ca -0.45 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 2k0a h GLU 24 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k0a h GLU 24 CO 0.62 0.00 -0.42 0.87 -1.00 0.00 0.00 179.01 179.08 2k0a h LYS 25 N 0.00 0.00 -0.47 2.33 1.79 -1.96 -2.81 116.57 115.44 2k0a h LYS 25 Ca 0.14 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.43 2k0a h LYS 25 Cb 0.73 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.28 2k0a h LYS 25 CO -0.00 0.42 0.09 0.00 -1.08 0.00 0.00 179.45 178.88 2k0a s ASP 27 N -1.99 6.53 -0.62 0.00 2.15 -0.98 -2.84 116.67 118.92 2k0a s ASP 27 Ca 0.47 2.64 -0.01 0.00 0.43 0.00 0.00 52.55 56.08 2k0a s ASP 27 Cb 0.40 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2k0a s ASP 27 CO 0.06 -0.90 0.12 0.61 -0.17 0.00 0.00 175.17 174.89 2k0a n GLY 28 N 3.96 0.15 3.54 2.66 0.00 -1.26 -5.04 105.19 109.20 2k0a n GLY 28 Ca 0.16 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2k0a n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k0a s LYS 29 N -4.70 2.64 -0.36 1.61 1.02 -1.13 -4.42 119.74 114.40 2k0a s LYS 29 Ca 0.06 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 55.17 2k0a s LYS 29 Cb -0.03 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2k0a s LYS 29 CO 0.08 0.65 0.99 0.00 -0.92 0.00 0.00 175.35 176.15 2k0a h PRO 31 N 8.43 0.00 -0.61 0.00 0.13 -1.91 0.49 132.00 138.52 2k0a h PRO 31 Ca -0.22 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 2k0a h PRO 31 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2k0a h PRO 31 CO 1.01 0.00 0.09 0.82 -0.23 0.00 0.00 178.00 179.70 2k0a h ILE 32 N 0.00 1.26 0.00 -3.56 1.08 -1.91 -3.37 117.51 111.01 2k0a h ILE 32 Ca 0.05 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2k0a h ILE 32 Cb 0.22 0.72 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 2k0a h ILE 32 CO -0.00 0.37 -0.16 0.00 -0.69 0.00 0.00 178.15 177.68 2k0a n ASP 34 N -0.77 -7.23 -3.62 0.00 2.03 0.17 -5.04 116.55 102.08 2k0a n ASP 34 Ca 0.00 0.18 -0.12 0.00 0.52 0.00 0.00 54.79 55.36 2k0a n ASP 34 Cb 0.00 -4.88 -0.07 0.00 -0.72 0.00 0.00 41.12 35.45 2k0a n ASP 34 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2k0a s SER 35 N -2.69 -0.62 -0.15 1.67 0.15 -1.25 -4.95 113.70 105.86 2k0a s SER 35 Ca 0.10 1.13 0.01 0.00 0.70 0.00 0.00 55.95 57.88 2k0a s SER 35 Cb -0.03 1.13 0.17 0.00 -1.71 0.00 0.00 66.02 65.58 2k0a s SER 35 CO 0.68 -0.25 1.49 -1.22 1.20 0.00 0.00 173.24 175.14 2k0a n TYR 36 N 2.27 0.90 -1.99 3.44 4.02 -1.26 -2.86 117.16 121.68 2k0a n TYR 36 Ca -0.14 -1.10 -0.31 0.00 -0.01 0.00 0.00 57.90 56.34 2k0a n TYR 36 Cb 0.56 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 2k0a n TYR 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2k0a s VAL 37 N -1.08 4.49 -0.04 -0.72 0.11 -1.26 -4.92 120.40 116.98 2k0a s VAL 37 Ca 0.17 0.94 -0.40 0.00 -2.93 0.00 0.00 61.98 59.76 2k0a s VAL 37 Cb 0.14 -3.72 -0.19 0.00 -1.53 0.00 0.00 36.38 31.08 2k0a s VAL 37 CO 0.02 -0.93 1.18 0.54 -3.33 0.00 0.00 175.10 172.58 2k0a n ARG 38 N -2.42 0.21 -2.61 1.54 5.12 -1.26 -4.72 116.66 112.52 2k0a n ARG 38 Ca 0.07 0.08 -0.31 0.00 -1.93 0.00 0.00 57.85 55.75 2k0a n ARG 38 Cb 0.54 -1.60 -0.04 0.00 -1.16 0.00 0.00 32.46 30.20 2k0a n ARG 38 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2k0a s PRO 39 N 0.44 3.89 0.00 5.56 0.04 -1.26 0.11 135.00 143.78 2k0a s PRO 39 Ca 0.91 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2k0a s PRO 39 Cb -1.24 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2k0a s PRO 39 CO 0.58 -0.16 0.00 1.17 0.04 0.00 0.00 177.00 178.63 2k0a n LYS 40 N -1.41 0.00 -3.74 4.56 3.00 0.66 -4.43 118.16 116.79 2k0a n LYS 40 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.23 2k0a n LYS 40 Cb 0.54 -0.79 -0.10 0.00 0.00 0.00 0.00 35.03 34.68 2k0a n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2k0a s ARG 41 N -1.66 0.44 0.37 1.64 6.06 -0.96 -5.00 118.95 119.84 2k0a s ARG 41 Ca 0.00 0.53 -0.28 0.00 -2.50 0.00 0.00 55.73 53.48 2k0a s ARG 41 Cb 0.00 0.21 -0.11 0.00 0.06 0.00 0.00 34.95 35.11 2k0a s ARG 41 CO 0.00 -0.06 1.51 1.63 -2.50 0.00 0.00 175.30 175.89 2k0a n LYS 42 N 2.92 2.71 -2.30 5.12 5.02 -1.26 0.81 118.16 131.19 2k0a n LYS 42 Ca -0.13 0.95 -0.41 0.00 -2.02 0.00 0.00 58.31 56.69 2k0a n LYS 42 Cb 0.57 -2.70 -0.03 0.00 -0.02 0.00 0.00 35.03 32.85 2k0a n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2k0a s VAL 43 N -0.97 3.47 -0.18 -0.18 1.01 0.14 -4.68 120.40 119.02 2k0a s VAL 43 Ca 0.54 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 2k0a s VAL 43 Cb -0.47 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2k0a s VAL 43 CO 0.62 0.16 -0.04 -0.13 0.00 0.00 0.00 175.10 175.71 2k0a s ARG 44 N 0.18 3.58 0.15 2.72 3.00 -1.26 -0.61 118.95 126.71 2k0a s ARG 44 Ca 0.57 -0.55 0.03 0.00 0.00 0.00 0.00 55.73 55.78 2k0a s ARG 44 Cb -0.34 -2.95 -0.04 0.00 0.00 0.00 0.00 34.95 31.62 2k0a s ARG 44 CO 0.35 0.10 0.22 0.14 0.00 0.00 0.00 175.30 176.12 2k0a s VAL 45 N 0.72 5.02 0.36 3.52 -7.23 -0.39 -4.15 120.40 118.26 2k0a s VAL 45 Ca -0.02 -0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 59.07 2k0a s VAL 45 Cb -0.14 -3.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.13 2k0a s VAL 45 CO 0.02 -0.08 1.29 0.00 -0.31 0.00 0.00 175.10 176.02 2k0a h GLU 47 N 3.07 0.00 -0.15 0.00 5.08 -1.87 0.70 114.58 121.41 2k0a h GLU 47 Ca -0.49 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 2k0a h GLU 47 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2k0a h GLU 47 CO 0.64 0.00 -0.15 -0.91 -1.00 0.00 0.00 179.01 177.59 2k0a h ASN 48 N 0.00 0.23 -0.70 1.42 4.21 -1.91 -0.94 115.58 117.90 2k0a h ASN 48 Ca 0.02 -0.05 -0.43 0.00 1.21 0.00 0.00 56.30 57.05 2k0a h ASN 48 Cb 0.22 -0.06 -0.18 0.00 -1.12 0.00 0.00 38.32 37.18 2k0a h ASN 48 CO -0.00 0.41 0.53 0.00 -1.29 0.00 0.00 177.43 177.07 2k0a n SER 50 N 0.13 0.21 -0.80 0.00 7.64 -0.40 -4.41 113.62 116.00 2k0a n SER 50 Ca 0.40 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.33 2k0a n SER 50 Cb 0.58 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.92 2k0a n SER 50 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2k0a n PHE 51 N -1.76 0.00 -1.43 1.43 1.16 -0.96 -4.83 117.46 111.07 2k0a n PHE 51 Ca 0.00 -1.06 0.00 0.00 -1.87 0.00 0.00 57.45 54.52 2k0a n PHE 51 Cb 0.03 -0.20 0.00 0.00 -1.61 0.00 0.00 39.48 37.70 2k0a n PHE 51 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k0a n GLY 52 N -0.61 3.87 0.23 4.97 0.00 -0.69 -5.03 105.19 107.94 2k0a n GLY 52 Ca 0.14 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 2k0a n GLY 52 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k0a h LYS 53 N 0.00 0.78 -4.37 1.61 2.10 -1.98 -3.43 116.57 111.29 2k0a h LYS 53 Ca 0.00 -0.28 -0.47 0.00 -2.00 0.00 0.00 60.65 57.89 2k0a h LYS 53 Cb 0.00 -0.05 -0.33 0.00 -0.90 0.00 0.00 32.23 30.94 2k0a h LYS 53 CO 0.00 0.89 -0.80 -0.65 -2.00 0.00 0.00 179.45 176.89 2k0a s GLN 54 N -4.85 1.36 0.00 0.07 -0.21 -1.26 -4.95 119.66 109.82 2k0a s GLN 54 Ca -0.13 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 54.95 2k0a s GLN 54 Cb 0.10 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.94 2k0a s GLN 54 CO 0.81 -0.00 0.00 0.00 -2.12 0.00 0.00 175.29 173.98 2k0a n ALA 55 N 3.85 0.00 0.07 6.09 0.00 -1.26 -4.21 120.51 125.05 2k0a n ALA 55 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 2k0a n ALA 55 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.10 2k0a n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k0a h LYS 56 N 0.00 0.30 -6.88 0.00 1.79 -1.88 -3.45 116.57 106.45 2k0a h LYS 56 Ca 0.00 -0.18 -0.52 0.00 -2.18 0.00 0.00 60.65 57.77 2k0a h LYS 56 Cb 0.00 0.02 0.05 0.00 -1.58 0.00 0.00 32.23 30.72 2k0a h LYS 56 CO 0.00 0.76 0.58 -0.80 -1.08 0.00 0.00 179.45 178.91 2k0a s ASN 57 N -6.89 6.79 0.12 0.86 0.01 -1.26 0.57 114.94 115.13 2k0a s ASN 57 Ca -0.05 2.54 -0.35 0.00 -0.71 0.00 0.00 52.86 54.29 2k0a s ASN 57 Cb 0.12 -2.64 -0.16 0.00 0.41 0.00 0.00 41.25 38.98 2k0a s ASN 57 CO 0.80 -0.51 1.29 0.00 -1.51 0.00 0.00 177.10 177.17 2k0a h ILE 59 N 3.11 1.34 -0.12 0.00 3.07 -1.07 0.96 117.51 124.81 2k0a h ILE 59 Ca -0.46 -1.71 -0.12 0.00 1.55 0.00 0.00 64.86 64.12 2k0a h ILE 59 Cb 1.34 1.80 0.00 0.00 -0.27 0.00 0.00 36.82 39.69 2k0a h ILE 59 CO 0.75 0.51 -0.39 0.40 -1.05 0.00 0.00 178.15 178.37 2k0a h ILE 60 N 0.22 1.37 -0.01 0.16 2.04 -1.84 -0.17 117.51 119.28 2k0a h ILE 60 Ca 0.01 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2k0a h ILE 60 Cb 0.94 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 2k0a h ILE 60 CO 0.08 0.51 -0.25 0.00 0.00 0.00 0.00 178.15 178.49 2k0a n ASN 62 N 0.04 -0.71 0.18 0.00 6.94 0.33 -4.64 115.26 117.39 2k0a n ASN 62 Ca 0.07 -1.21 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 2k0a n ASN 62 Cb 0.32 -1.85 0.00 0.00 -2.36 0.00 0.00 39.78 35.89 2k0a n ASN 62 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2k0a n LEU 63 N -4.34 -1.77 -4.76 -4.53 -0.00 -1.26 -4.98 117.00 95.36 2k0a n LEU 63 Ca -0.11 0.65 -0.40 0.00 -0.00 0.00 0.00 56.01 56.15 2k0a n LEU 63 Cb 0.58 1.79 -0.06 0.00 -0.00 0.00 0.00 43.42 45.73 2k0a n LEU 63 CO 0.89 -0.36 0.56 0.20 -0.00 0.00 0.00 177.39 178.68 2k0a s ASN 64 N -3.75 7.46 0.32 1.96 0.01 -1.26 -4.82 114.94 114.86 2k0a s ASN 64 Ca 0.00 1.74 -0.29 0.00 -0.71 0.00 0.00 52.86 53.60 2k0a s ASN 64 Cb 0.00 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 39.01 2k0a s ASN 64 CO 0.00 0.13 1.52 -0.69 -1.51 0.00 0.00 177.10 176.55 2k0a s VAL 65 N -0.86 2.15 1.00 1.60 1.01 -1.26 0.91 120.40 124.95 2k0a s VAL 65 Ca 0.39 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2k0a s VAL 65 Cb -0.24 -3.09 0.23 0.00 0.00 0.00 0.00 36.38 33.29 2k0a s VAL 65 CO 0.28 0.03 1.23 0.61 0.00 0.00 0.00 175.10 177.24 2k0a n GLY 66 N 1.43 -1.80 0.00 4.51 0.00 0.19 -4.26 105.19 105.27 2k0a n GLY 66 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2k0a n GLY 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2k0a n VAL 67 N -4.00 0.00 -2.08 1.61 3.14 0.59 -4.80 118.33 112.78 2k0a n VAL 67 Ca 0.16 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.25 2k0a n VAL 67 Cb 0.56 0.00 0.15 0.00 -1.06 0.00 0.00 33.84 33.49 2k0a n VAL 67 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2k0a s ASN 68 N -0.97 3.60 -0.06 6.55 0.02 0.18 -4.79 114.94 119.47 2k0a s ASN 68 Ca 0.00 0.19 0.05 0.00 -1.02 0.00 0.00 52.86 52.09 2k0a s ASN 68 Cb 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 41.25 40.88 2k0a s ASN 68 CO 0.00 -2.41 -0.23 -1.81 0.02 0.00 0.00 177.10 172.67 2k0a s ASP 69 N -4.81 3.24 0.37 -1.22 1.01 -1.26 0.40 116.67 114.40 2k0a s ASP 69 Ca 0.70 -0.46 -0.24 0.00 0.71 0.00 0.00 52.55 53.26 2k0a s ASP 69 Cb -0.05 -0.89 -0.10 0.00 1.01 0.00 0.00 42.92 42.89 2k0a s ASP 69 CO 0.50 0.25 0.98 0.00 0.21 0.00 0.00 175.17 177.11 2k0a s ALA 70 N -0.19 3.13 -0.06 5.23 0.00 0.31 -4.78 121.76 125.40 2k0a s ALA 70 Ca -0.02 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2k0a s ALA 70 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2k0a s ALA 70 CO 0.03 0.03 -0.16 -0.06 0.00 0.00 0.00 175.76 175.61 2k0a s PHE 71 N -1.76 1.68 -0.07 0.00 0.40 -1.26 0.26 117.98 117.23 2k0a s PHE 71 Ca 0.56 -0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 2k0a s PHE 71 Cb -0.17 -1.16 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 2k0a s PHE 71 CO 0.22 -0.23 1.53 0.71 0.70 0.00 0.00 175.22 178.16 2k0a s TYR 72 N 0.28 2.31 0.82 0.36 2.02 0.24 -4.10 117.35 119.28 2k0a s TYR 72 Ca -0.09 0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.97 2k0a s TYR 72 Cb -0.13 -3.79 0.08 0.00 -0.40 0.00 0.00 41.96 37.72 2k0a s TYR 72 CO 0.03 -3.17 1.09 0.00 -1.57 0.00 0.00 175.55 171.94 2k0a h TRP 74 N -1.28 -1.24 -0.29 0.00 -0.00 0.52 0.24 115.95 113.89 2k0a h TRP 74 Ca -0.46 0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.52 2k0a h TRP 74 Cb 1.25 0.65 -0.01 0.00 -0.00 0.00 0.00 29.16 31.05 2k0a h TRP 74 CO 0.52 -0.41 0.15 0.93 -0.00 0.00 0.00 178.44 179.63 2k0a h GLU 75 N -0.14 0.41 -0.54 2.65 4.39 -1.92 0.17 114.58 119.60 2k0a h GLU 75 Ca 0.23 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.78 2k0a h GLU 75 Cb 0.55 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2k0a h GLU 75 CO -0.79 0.36 -0.03 0.00 -1.16 0.00 0.00 179.01 177.39 2k0a h ARG 78 N 0.85 0.78 0.00 0.00 9.65 -0.59 -2.12 114.38 122.94 2k0a h ARG 78 Ca 0.13 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 2k0a h ARG 78 Cb 0.70 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 2k0a h ARG 78 CO 0.05 0.67 -0.42 -0.07 2.80 0.00 0.00 179.97 183.01 2k0a h LEU 79 N 0.71 0.00 -1.41 3.80 3.38 -1.22 -3.47 115.31 117.09 2k0a h LEU 79 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2k0a h LEU 79 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k0a h LEU 79 CO -0.02 0.42 -0.11 0.61 0.09 0.00 0.00 178.44 179.43 2k0a n GLY 80 N 0.17 0.55 1.84 0.83 0.00 0.11 -4.94 105.19 103.75 2k0a n GLY 80 Ca -0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 2k0a n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k0a n LYS 81 N -1.29 1.86 0.00 1.61 5.02 0.12 -4.34 118.16 121.13 2k0a n LYS 81 Ca -0.02 -2.00 0.07 0.00 -2.02 0.00 0.00 58.31 54.35 2k0a n LYS 81 Cb 0.52 -1.78 0.43 0.00 -0.02 0.00 0.00 35.03 34.17 2k0a n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2k0a n ASP 82 N -0.51 0.00 -2.47 4.39 5.75 -1.26 -4.81 116.55 117.64 2k0a n ASP 82 Ca 0.40 -0.34 -0.20 0.00 -0.01 0.00 0.00 54.79 54.64 2k0a n ASP 82 Cb 1.18 -0.07 -0.01 0.00 -1.03 0.00 0.00 41.12 41.20 2k0a n ASP 82 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2k0a n LYS 83 N -1.07 -2.04 0.00 0.11 5.02 -1.26 -2.99 118.16 115.93 2k0a n LYS 83 Ca 0.10 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2k0a n LYS 83 Cb 0.07 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.45 2k0a n LYS 83 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k0a n ASP 84 N -2.03 0.00 0.00 4.39 2.03 -1.26 -4.81 116.55 114.86 2k0a n ASP 84 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 2k0a n ASP 84 Cb 0.67 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 2k0a n ASP 84 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k0a n GLY 85 N 0.00 2.56 3.50 0.27 0.00 -1.16 -4.59 105.19 105.76 2k0a n GLY 85 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2k0a n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k0a n PRO 87 N 8.59 2.17 -4.62 0.00 -0.04 -1.26 0.15 135.00 139.98 2k0a n PRO 87 Ca 0.48 -2.12 -0.34 0.00 -0.04 0.00 0.00 63.50 61.49 2k0a n PRO 87 Cb 0.28 -1.92 -0.12 0.00 -0.04 0.00 0.00 33.50 31.70 2k0a n PRO 87 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2k0a s ARG 88 N -2.03 2.99 0.26 0.54 1.70 -1.26 -4.71 118.95 116.45 2k0a s ARG 88 Ca 0.47 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.86 2k0a s ARG 88 Cb 0.33 -2.64 -0.09 0.00 -0.57 0.00 0.00 34.95 31.98 2k0a s ARG 88 CO -0.11 0.52 1.05 0.42 -1.08 0.00 0.00 175.30 176.10 2k0a s ILE 89 N -0.42 3.69 0.00 4.99 -1.09 -0.08 -1.74 121.20 126.55 2k0a s ILE 89 Ca 0.06 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2k0a s ILE 89 Cb -0.12 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2k0a s ILE 89 CO 0.02 0.40 0.00 0.00 -1.23 0.00 0.00 174.94 174.13 2k0a n LEU 90 N 1.36 0.00 0.00 2.97 -0.00 -1.26 -4.64 117.00 115.42 2k0a n LEU 90 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2k0a n LEU 90 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2k0a n LEU 90 CO 0.53 0.00 0.00 0.59 -0.00 0.00 0.00 177.39 178.51 2k0a n ASN 91 N -0.75 0.00 -3.65 1.45 3.02 -1.03 -4.93 115.26 109.37 2k0a n ASN 91 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 2k0a n ASN 91 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2k0a n ASN 91 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2k0a s LEU 92 N 0.00 -0.27 -0.17 3.41 2.96 -1.26 -4.92 118.68 118.43 2k0a s LEU 92 Ca 0.00 0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 54.26 2k0a s LEU 92 Cb 0.00 1.45 -0.22 0.00 0.50 0.00 0.00 46.19 47.92 2k0a s LEU 92 CO 0.00 -0.08 0.24 0.61 -1.32 0.00 0.00 176.35 175.80 2k0a n GLY 93 N 2.69 -0.64 3.78 7.98 0.00 -1.26 -5.04 105.19 112.70 2k0a n GLY 93 Ca -0.15 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 2k0a n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k0a s SER 94 N -6.97 -0.17 -0.45 1.61 0.01 -1.26 -5.02 113.70 101.44 2k0a s SER 94 Ca -0.26 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.23 2k0a s SER 94 Cb 0.07 0.70 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 2k0a s SER 94 CO 0.68 -1.33 0.40 0.59 0.41 0.00 0.00 173.24 174.00 2k0a n ASN 95 N -0.54 -4.41 -4.74 2.44 4.13 -1.26 -4.98 115.26 105.89 2k0a n ASN 95 Ca -0.04 -0.23 -0.41 0.00 1.68 0.00 0.00 54.58 55.58 2k0a n ASN 95 Cb 0.60 -2.86 -0.02 0.00 -1.54 0.00 0.00 39.78 35.95 2k0a n ASN 95 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2k0a s ARG 96 N -3.43 4.30 0.39 3.52 6.06 -1.26 -4.94 118.95 123.58 2k0a s ARG 96 Ca 0.14 2.24 -0.27 0.00 -2.50 0.00 0.00 55.73 55.35 2k0a s ARG 96 Cb -0.02 -3.13 -0.11 0.00 0.06 0.00 0.00 34.95 31.76 2k0a s ARG 96 CO 0.35 -0.37 1.30 1.47 -2.50 0.00 0.00 175.30 175.55 2k0a n LEU 97 N 2.32 3.92 -4.65 -0.88 -0.00 -1.26 -4.89 117.00 111.56 2k0a n LEU 97 Ca 0.06 1.16 -0.43 0.00 -0.00 0.00 0.00 56.01 56.80 2k0a n LEU 97 Cb 0.41 -1.51 -0.02 0.00 -0.00 0.00 0.00 43.42 42.30 2k0a n LEU 97 CO 0.60 -0.51 1.14 -0.62 -0.00 0.00 0.00 177.39 178.00 2k0a s ASP 98 N -0.41 6.80 0.00 1.45 2.15 -1.26 -4.51 116.67 120.89 2k0a s ASP 98 Ca 0.58 1.58 0.00 0.00 0.43 0.00 0.00 52.55 55.14 2k0a s ASP 98 Cb -0.53 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.56 2k0a s ASP 98 CO 0.60 -0.90 0.00 0.54 -0.17 0.00 0.00 175.17 175.24 2k0a n ARG 99 N 6.93 0.00 0.16 4.34 1.74 -1.26 -3.95 116.66 124.62 2k0a n ARG 99 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2k0a n ARG 99 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2k0a n ARG 99 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2k0a n HIS 100 N 0.00 -3.98 -2.20 -1.55 8.25 -1.26 -5.01 115.22 109.47 2k0a n HIS 100 Ca 0.00 1.11 -0.02 0.00 -0.26 0.00 0.00 57.72 58.55 2k0a n HIS 100 Cb 0.00 2.91 0.02 0.00 1.12 0.00 0.00 29.99 34.04 2k0a n HIS 100 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2k0a n PHE 101 N -3.25 -0.57 -2.58 4.41 1.16 -1.25 -4.99 117.46 110.37 2k0a n PHE 101 Ca 0.00 -0.60 -0.40 0.00 -1.87 0.00 0.00 57.45 54.58 2k0a n PHE 101 Cb 0.00 0.75 -0.05 0.00 -1.61 0.00 0.00 39.48 38.57 2k0a n PHE 101 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2k0a s GLU 102 N 0.04 4.71 -1.18 3.97 2.56 -1.26 -1.04 118.70 126.49 2k0a s GLU 102 Ca 0.02 1.68 -0.04 0.00 0.00 0.00 0.00 54.97 56.63 2k0a s GLU 102 Cb 0.12 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 33.05 2k0a s GLU 102 CO -0.04 0.32 1.01 1.63 -0.56 0.00 0.00 175.26 177.63 2k0a n LYS 103 N 1.27 -6.74 0.00 4.30 5.02 -1.26 -4.69 118.16 116.06 2k0a n LYS 103 Ca -0.01 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2k0a n LYS 103 Cb 0.46 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 2k0a n LYS 103 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k0a n LYS 104 N -4.26 0.00 0.00 1.97 4.81 -1.23 -5.15 118.16 114.30 2k0a n LYS 104 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2k0a n LYS 104 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 2k0a n LYS 104 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k0a n LYS 105 N -0.76 0.00 -2.43 1.64 4.76 -0.21 -3.86 118.16 117.31 2k0a n LYS 105 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 2k0a n LYS 105 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2k0a n LYS 105 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k0a n LYS 106 N 0.20 3.36 0.00 1.97 5.02 -1.26 -4.78 118.16 122.66 2k0a n LYS 106 Ca 0.00 -4.36 0.00 0.00 -2.02 0.00 0.00 58.31 51.93 2k0a n LYS 106 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 2k0a n LYS 106 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16