#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0t n HIS 2 N 0.00 -2.82 -1.45 7.33 -0.00 -1.26 -4.17 115.22 112.85 1k0t n HIS 2 Ca 0.00 -0.78 0.18 0.00 -0.00 0.00 0.00 57.72 57.12 1k0t n HIS 2 Cb 0.00 -0.22 -0.09 0.00 -0.00 0.00 0.00 29.99 29.68 1k0t n HIS 2 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1k0t n SER 3 N -2.78 -8.11 -2.69 0.41 3.41 -1.26 -4.52 113.62 98.07 1k0t n SER 3 Ca 0.06 1.34 -0.04 0.00 -0.26 0.00 0.00 58.87 59.97 1k0t n SER 3 Cb 0.23 -4.89 0.11 0.00 -0.26 0.00 0.00 64.21 59.40 1k0t n SER 3 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1k0t n VAL 4 N -4.34 0.17 -2.23 -3.33 3.14 -1.26 -4.16 118.33 106.32 1k0t n VAL 4 Ca -0.08 -1.48 -0.33 0.00 -2.96 0.00 0.00 64.34 59.49 1k0t n VAL 4 Cb 0.68 1.00 -0.01 0.00 -1.06 0.00 0.00 33.84 34.46 1k0t n VAL 4 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1k0t s LYS 5 N -0.39 3.58 0.06 1.45 2.47 -1.26 -4.99 119.74 120.65 1k0t s LYS 5 Ca 0.16 1.16 -0.31 0.00 -1.56 0.00 0.00 55.97 55.43 1k0t s LYS 5 Cb 0.42 -2.07 -0.06 0.00 -1.46 0.00 0.00 37.83 34.66 1k0t s LYS 5 CO -0.10 -0.60 1.20 0.42 0.16 0.00 0.00 175.35 176.44 1k0t s ILE 6 N -2.42 4.04 0.12 5.43 -1.09 -1.26 -4.98 121.20 121.04 1k0t s ILE 6 Ca 0.63 1.46 -0.25 0.00 -2.23 0.00 0.00 60.65 60.25 1k0t s ILE 6 Cb -0.14 -3.94 0.08 0.00 -1.58 0.00 0.00 42.46 36.88 1k0t s ILE 6 CO 0.32 0.11 1.06 -0.31 -1.23 0.00 0.00 174.94 174.89 1k0t s TYR 7 N 1.13 -0.05 -0.26 3.97 2.02 -1.26 -5.02 117.35 117.88 1k0t s TYR 7 Ca 0.59 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 57.04 1k0t s TYR 7 Cb -0.29 0.63 0.09 0.00 -0.40 0.00 0.00 41.96 41.99 1k0t s TYR 7 CO 0.29 -0.72 2.38 -0.40 -1.57 0.00 0.00 175.55 175.53 1k0t n ASP 8 N -0.68 6.15 -4.46 2.29 5.68 -1.26 -4.74 116.55 119.53 1k0t n ASP 8 Ca -0.05 -2.93 -0.43 0.00 -0.50 0.00 0.00 54.79 50.88 1k0t n ASP 8 Cb 0.61 -1.15 -0.03 0.00 -1.14 0.00 0.00 41.12 39.40 1k0t n ASP 8 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1k0t s THR 9 N -1.54 4.47 0.20 2.12 -1.32 -1.26 -4.94 115.64 113.37 1k0t s THR 9 Ca 0.37 -0.92 -0.22 0.00 -1.21 0.00 0.00 61.69 59.70 1k0t s THR 9 Cb 0.24 -4.75 0.05 0.00 -1.51 0.00 0.00 72.50 66.53 1k0t s THR 9 CO -0.05 -1.52 0.65 0.00 -2.21 0.00 0.00 174.62 171.49 1k0t n ILE 11 N -0.41 0.00 0.00 0.00 -6.64 -1.26 -5.04 119.36 106.01 1k0t n ILE 11 Ca -0.12 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.86 1k0t n ILE 11 Cb 0.63 -0.13 0.00 0.00 -1.44 0.00 0.00 39.64 38.70 1k0t n ILE 11 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1k0t n GLY 12 N -0.08 0.00 3.37 3.28 0.00 -1.26 -5.01 105.19 105.50 1k0t n GLY 12 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1k0t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t s THR 14 N -2.34 3.13 -0.27 0.00 -1.32 -1.26 -4.98 115.64 108.61 1k0t s THR 14 Ca 0.34 -3.95 -0.27 0.00 -1.21 0.00 0.00 61.69 56.61 1k0t s THR 14 Cb -0.03 -3.05 0.16 0.00 -1.51 0.00 0.00 72.50 68.07 1k0t s THR 14 CO 0.22 -0.97 1.24 0.00 -2.21 0.00 0.00 174.62 172.90 1k0t s GLN 15 N -1.13 0.27 0.00 7.08 -2.07 -1.26 -4.92 119.66 117.64 1k0t s GLN 15 Ca 0.23 0.22 0.00 0.00 -1.82 0.00 0.00 55.36 54.00 1k0t s GLN 15 Cb -0.10 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 31.95 1k0t s GLN 15 CO -0.12 -0.05 0.00 0.00 -1.32 0.00 0.00 175.29 173.80 1k0t n VAL 17 N 0.00 0.00 -0.01 0.00 0.31 -1.26 -3.91 118.33 113.45 1k0t n VAL 17 Ca 0.00 -0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1k0t n VAL 17 Cb 0.00 -0.32 -0.01 0.00 -0.91 0.00 0.00 33.84 32.60 1k0t n VAL 17 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k0t n ARG 18 N -1.28 0.07 -2.29 5.55 3.00 -1.26 -4.86 116.66 115.59 1k0t n ARG 18 Ca 0.11 0.02 -0.34 0.00 -0.01 0.00 0.00 57.85 57.63 1k0t n ARG 18 Cb 0.29 -0.97 -0.04 0.00 0.00 0.00 0.00 32.46 31.74 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t s ALA 19 N -2.05 2.44 -0.30 7.54 0.00 -1.25 -4.73 121.76 123.40 1k0t s ALA 19 Ca -0.04 -2.46 -0.17 0.00 0.00 0.00 0.00 51.96 49.30 1k0t s ALA 19 Cb 0.01 -4.66 0.18 0.00 0.00 0.00 0.00 23.12 18.65 1k0t s ALA 19 CO 0.06 -4.40 1.12 0.00 0.00 0.00 0.00 175.76 172.55 1k0t h PRO 21 N 7.36 -0.27 -0.00 0.00 0.13 -1.98 -3.21 132.00 134.02 1k0t h PRO 21 Ca -0.14 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1k0t h PRO 21 Cb 1.13 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1k0t h PRO 21 CO 0.06 -0.18 0.25 -0.07 -0.23 0.00 0.00 178.00 177.83 1k0t h LEU 22 N -0.91 0.00 -2.21 1.56 3.38 -1.98 -3.46 115.31 111.69 1k0t h LEU 22 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1k0t h LEU 22 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1k0t h LEU 22 CO 0.05 0.00 -0.82 0.47 0.09 0.00 0.00 178.44 178.22 1k0t n ASP 23 N -2.94 -7.80 -0.05 -0.43 8.00 -1.22 -5.01 116.55 107.11 1k0t n ASP 23 Ca -0.02 1.14 -0.10 0.00 0.71 0.00 0.00 54.79 56.52 1k0t n ASP 23 Cb 0.31 -5.20 -0.03 0.00 -0.02 0.00 0.00 41.12 36.17 1k0t n ASP 23 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1k0t n VAL 24 N 0.40 0.93 -1.53 2.53 0.24 -1.26 -4.92 118.33 114.72 1k0t n VAL 24 Ca 0.03 -0.01 -0.38 0.00 -2.04 0.00 0.00 64.34 61.94 1k0t n VAL 24 Cb 0.13 -1.77 -0.08 0.00 -1.47 0.00 0.00 33.84 30.65 1k0t n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1k0t n LEU 25 N -3.70 1.50 0.00 1.34 4.32 -1.26 -4.65 117.00 114.55 1k0t n LEU 25 Ca -0.18 -0.22 -0.23 0.00 -0.02 0.00 0.00 56.01 55.35 1k0t n LEU 25 Cb 0.52 -1.32 -0.02 0.00 -1.62 0.00 0.00 43.42 40.98 1k0t n LEU 25 CO 0.04 -1.23 -0.05 -0.62 -1.22 0.00 0.00 177.39 174.32 1k0t n GLU 26 N 8.79 0.91 -3.06 3.23 1.02 0.35 -4.80 120.64 127.09 1k0t n GLU 26 Ca 0.49 -2.84 -0.40 0.00 -0.02 0.00 0.00 57.16 54.40 1k0t n GLU 26 Cb 0.34 0.50 -0.05 0.00 -0.02 0.00 0.00 31.44 32.20 1k0t n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k0t s MET 27 N -3.66 4.43 0.38 3.49 0.23 -1.26 0.49 119.30 123.39 1k0t s MET 27 Ca 0.15 0.92 0.04 0.00 -1.03 0.00 0.00 55.69 55.77 1k0t s MET 27 Cb -0.01 -3.38 -0.05 0.00 -1.53 0.00 0.00 34.83 29.86 1k0t s MET 27 CO 0.09 0.24 0.06 0.14 -2.03 0.00 0.00 175.02 173.53 1k0t s VAL 28 N 0.16 1.16 -0.31 5.16 -7.23 0.13 -4.88 120.40 114.59 1k0t s VAL 28 Ca 0.36 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.24 1k0t s VAL 28 Cb -0.19 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.10 1k0t s VAL 28 CO 0.20 0.00 1.35 -2.16 -0.31 0.00 0.00 175.10 174.18 1k0t s PRO 29 N -3.82 3.86 0.33 4.82 0.04 -1.26 -1.59 135.00 137.37 1k0t s PRO 29 Ca 0.30 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.62 1k0t s PRO 29 Cb 0.07 -3.92 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1k0t s PRO 29 CO 0.14 -1.20 0.12 -0.46 0.04 0.00 0.00 177.00 175.64 1k0t s TRP 30 N 4.61 1.71 -0.39 0.56 -0.11 -0.10 -4.69 118.94 120.54 1k0t s TRP 30 Ca 0.59 -1.22 0.11 0.00 1.22 0.00 0.00 56.10 56.80 1k0t s TRP 30 Cb -0.17 -1.03 0.34 0.00 -1.50 0.00 0.00 33.47 31.11 1k0t s TRP 30 CO 0.25 -0.31 0.74 -3.47 -4.62 0.00 0.00 176.95 169.53 1k0t n ASP 31 N -0.87 1.06 0.00 5.86 -0.08 -1.26 -3.62 116.55 117.64 1k0t n ASP 31 Ca -0.02 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.22 1k0t n ASP 31 Cb 0.66 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1k0t n ASP 31 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k0t n GLY 32 N 0.30 0.11 3.82 0.27 0.00 -1.26 -5.03 105.19 103.40 1k0t n GLY 32 Ca 0.25 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1k0t n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t h LYS 34 N -0.94 0.00 -0.24 0.00 3.64 -1.95 0.19 116.57 117.28 1k0t h LYS 34 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1k0t h LYS 34 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1k0t h LYS 34 CO 0.60 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1k0t n ALA 35 N -2.27 2.81 -4.17 5.00 0.00 -1.26 -4.97 120.51 115.65 1k0t n ALA 35 Ca -0.03 -2.19 -0.33 0.00 0.00 0.00 0.00 53.44 50.89 1k0t n ALA 35 Cb 0.11 -0.64 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1k0t n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k0t n GLY 36 N -0.49 -0.32 3.16 0.00 0.00 0.67 -4.87 105.19 103.33 1k0t n GLY 36 Ca 0.19 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1k0t n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k0t s GLN 37 N -7.17 0.25 -0.03 1.61 1.03 -1.24 -0.92 119.66 113.20 1k0t s GLN 37 Ca 0.12 0.92 -0.07 0.00 0.04 0.00 0.00 55.36 56.36 1k0t s GLN 37 Cb -0.06 0.18 -0.05 0.00 0.03 0.00 0.00 33.01 33.12 1k0t s GLN 37 CO 0.97 -0.26 0.24 -1.50 -2.54 0.00 0.00 175.29 172.19 1k0t s ILE 38 N 2.53 5.34 -0.63 3.63 1.10 -0.62 -4.70 121.20 127.85 1k0t s ILE 38 Ca -0.01 0.24 -0.25 0.00 -0.51 0.00 0.00 60.65 60.12 1k0t s ILE 38 Cb -0.12 -3.53 0.05 0.00 0.15 0.00 0.00 42.46 39.00 1k0t s ILE 38 CO -0.11 0.46 1.07 0.00 -2.11 0.00 0.00 174.94 174.25 1k0t s ALA 39 N -1.20 3.02 0.11 1.50 0.00 -1.26 0.18 121.76 124.12 1k0t s ALA 39 Ca 0.23 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.82 1k0t s ALA 39 Cb -0.13 -3.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.04 1k0t s ALA 39 CO 0.12 -2.76 0.05 0.43 0.00 0.00 0.00 175.76 173.61 1k0t n SER 40 N 8.14 0.75 -3.74 0.00 7.64 0.18 -4.82 113.62 121.76 1k0t n SER 40 Ca 0.01 -1.63 -0.30 0.00 1.01 0.00 0.00 58.87 57.96 1k0t n SER 40 Cb 0.47 0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.88 1k0t n SER 40 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1k0t s SER 41 N -1.72 3.75 -0.06 6.43 0.01 -1.26 0.13 113.70 120.99 1k0t s SER 41 Ca 0.07 -2.63 -0.10 0.00 1.31 0.00 0.00 55.95 54.61 1k0t s SER 41 Cb 0.00 -1.11 -0.06 0.00 0.21 0.00 0.00 66.02 65.07 1k0t s SER 41 CO 0.05 -0.27 0.41 1.55 0.41 0.00 0.00 173.24 175.39 1k0t h PRO 42 N 6.77 -0.32 -4.18 12.44 0.13 -1.92 -3.39 132.00 141.52 1k0t h PRO 42 Ca -0.02 0.02 -0.77 0.00 -0.87 0.00 0.00 66.00 64.36 1k0t h PRO 42 Cb 0.93 0.07 -0.22 0.00 0.13 0.00 0.00 31.00 31.91 1k0t h PRO 42 CO 0.51 -0.20 0.99 0.54 -0.23 0.00 0.00 178.00 179.61 1k0t n ARG 43 N -5.00 3.47 -0.51 0.86 5.12 -1.26 -4.79 116.66 114.56 1k0t n ARG 43 Ca -0.04 -4.11 -0.05 0.00 -1.93 0.00 0.00 57.85 51.72 1k0t n ARG 43 Cb 0.14 -2.82 0.13 0.00 -1.16 0.00 0.00 32.46 28.75 1k0t n ARG 43 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1k0t n THR 44 N 3.70 1.71 -0.14 0.55 -1.04 -1.26 -4.36 114.28 113.44 1k0t n THR 44 Ca 0.31 -0.79 0.25 0.00 -2.04 0.00 0.00 64.05 61.79 1k0t n THR 44 Cb 0.41 -0.61 0.69 0.00 -1.82 0.00 0.00 70.33 69.00 1k0t n THR 44 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1k0t h GLU 45 N 1.05 0.06 -4.67 -2.82 4.11 -1.96 -3.31 114.58 107.03 1k0t h GLU 45 Ca 0.17 -0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.91 1k0t h GLU 45 Cb 1.58 -0.01 -0.32 0.00 0.50 0.00 0.00 28.75 30.50 1k0t h GLU 45 CO 0.39 0.04 -0.64 -0.51 0.07 0.00 0.00 179.01 178.37 1k0t s ASP 46 N -5.78 5.11 0.00 3.06 1.11 -1.26 -4.95 116.67 113.95 1k0t s ASP 46 Ca -0.05 -1.42 0.00 0.00 0.18 0.00 0.00 52.55 51.26 1k0t s ASP 46 Cb 0.21 -1.79 0.00 0.00 1.07 0.00 0.00 42.92 42.41 1k0t s ASP 46 CO 0.76 -0.35 0.00 0.00 1.18 0.00 0.00 175.17 176.76 1k0t n VAL 48 N 0.00 3.14 -3.26 0.00 0.31 -1.26 -4.89 118.33 112.36 1k0t n VAL 48 Ca 0.00 -2.19 -0.27 0.00 -0.01 0.00 0.00 64.34 61.87 1k0t n VAL 48 Cb 0.00 -1.22 0.03 0.00 -0.91 0.00 0.00 33.84 31.73 1k0t n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k0t n GLY 49 N -0.25 -0.40 0.12 2.92 0.00 -1.26 -4.87 105.19 101.44 1k0t n GLY 49 Ca 0.45 1.18 -0.02 0.00 0.00 0.00 0.00 46.02 47.62 1k0t n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n LYS 51 N -3.58 0.00 0.00 0.00 4.81 -1.26 -5.03 118.16 113.10 1k0t n LYS 51 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1k0t n LYS 51 Cb 0.72 -1.19 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1k0t n ARG 52 N -0.99 0.00 0.00 1.64 3.00 -1.26 -4.95 116.66 114.10 1k0t n ARG 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1k0t n ARG 52 Cb 0.35 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t n GLU 54 N 0.00 -2.25 -2.65 0.00 2.13 -1.26 -4.81 120.64 111.79 1k0t n GLU 54 Ca 0.00 0.54 -0.13 0.00 0.66 0.00 0.00 57.16 58.24 1k0t n GLU 54 Cb 0.00 -5.12 0.02 0.00 0.27 0.00 0.00 31.44 26.62 1k0t n GLU 54 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k0t n THR 55 N -3.23 1.22 -1.13 6.31 -2.24 -1.26 -4.59 114.28 109.36 1k0t n THR 55 Ca -0.13 -3.49 -0.42 0.00 -2.27 0.00 0.00 64.05 57.75 1k0t n THR 55 Cb 0.59 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t n ALA 56 N -0.13 3.49 -1.54 6.98 0.00 -1.26 -4.19 120.51 123.87 1k0t n ALA 56 Ca 0.15 -3.22 0.09 0.00 0.00 0.00 0.00 53.44 50.47 1k0t n ALA 56 Cb 0.78 -3.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.60 1k0t n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k0t n PRO 58 N -3.57 0.75 -1.96 0.00 -0.04 -1.26 -4.68 135.00 124.24 1k0t n PRO 58 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1k0t n PRO 58 Cb 0.60 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1k0t n PRO 58 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1k0t n THR 59 N 1.33 -8.22 0.00 0.52 -2.24 -1.26 -4.97 114.28 99.44 1k0t n THR 59 Ca 0.00 2.70 0.00 0.00 -2.27 0.00 0.00 64.05 64.48 1k0t n THR 59 Cb 0.38 -3.91 0.00 0.00 -2.10 0.00 0.00 70.33 64.69 1k0t n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k0t n ASP 60 N 1.15 0.00 -0.00 3.42 9.92 -1.26 -5.02 116.55 124.76 1k0t n ASP 60 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1k0t n ASP 60 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1k0t n ASP 60 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1k0t n PHE 61 N 0.00 0.00 -1.59 1.24 -0.00 -1.26 -5.02 117.46 110.83 1k0t n PHE 61 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1k0t n PHE 61 Cb 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 39.48 39.47 1k0t n PHE 61 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.76 178.23 1k0t n LEU 62 N -2.59 2.19 -2.05 -2.13 -0.00 -1.26 -4.83 117.00 106.33 1k0t n LEU 62 Ca -0.00 1.05 -0.19 0.00 -0.00 0.00 0.00 56.01 56.87 1k0t n LEU 62 Cb 0.02 -1.32 -0.00 0.00 -0.00 0.00 0.00 43.42 42.12 1k0t n LEU 62 CO 0.01 -1.60 1.33 -1.20 -0.00 0.00 0.00 177.39 175.93 1k0t n SER 63 N 0.72 6.37 -2.33 1.45 7.64 -1.26 -4.88 113.62 121.33 1k0t n SER 63 Ca 0.10 -3.05 -0.10 0.00 1.01 0.00 0.00 58.87 56.83 1k0t n SER 63 Cb 0.38 -1.13 0.01 0.00 -1.01 0.00 0.00 64.21 62.46 1k0t n SER 63 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1k0t n ILE 64 N 0.65 -1.69 0.11 0.44 -5.35 -1.26 -4.83 119.36 107.43 1k0t n ILE 64 Ca 0.35 0.21 0.10 0.00 -0.27 0.00 0.00 62.75 63.13 1k0t n ILE 64 Cb 0.58 -1.99 0.01 0.00 -1.74 0.00 0.00 39.64 36.50 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1k0t h ARG 65 N 2.11 0.00 -4.36 6.28 2.43 -1.94 -3.50 114.38 115.39 1k0t h ARG 65 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1k0t h ARG 65 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1k0t h ARG 65 CO 0.06 0.06 -0.91 0.28 -1.51 0.00 0.00 179.97 177.94 1k0t n VAL 66 N -2.78-12.82 0.15 0.20 0.31 -1.26 -5.05 118.33 97.08 1k0t n VAL 66 Ca -0.01 3.09 0.00 0.00 -0.01 0.00 0.00 64.34 67.41 1k0t n VAL 66 Cb 0.59 -5.68 0.00 0.00 -0.91 0.00 0.00 33.84 27.85 1k0t n VAL 66 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1k0t n TYR 67 N 1.74 -2.74 -1.32 3.52 4.02 -1.26 -4.98 117.16 116.14 1k0t n TYR 67 Ca 0.00 0.57 -0.43 0.00 -0.01 0.00 0.00 57.90 58.04 1k0t n TYR 67 Cb 0.00 0.99 -0.01 0.00 -0.02 0.00 0.00 39.34 40.30 1k0t n TYR 67 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1k0t n LEU 68 N -3.43 -2.54 -1.45 7.72 7.99 -1.26 -3.35 117.00 120.68 1k0t n LEU 68 Ca 0.00 0.85 -0.03 0.00 -0.01 0.00 0.00 56.01 56.82 1k0t n LEU 68 Cb 0.00 -0.90 0.02 0.00 -0.11 0.00 0.00 43.42 42.42 1k0t n LEU 68 CO 0.00 -4.00 0.02 0.61 -1.51 0.00 0.00 177.39 172.51 1k0t n GLY 69 N 2.27 0.31 2.09 -0.72 0.00 -1.26 -4.84 105.19 103.04 1k0t n GLY 69 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1k0t n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n ALA 70 N -1.57 1.55 -1.87 4.61 0.00 -1.21 -5.08 120.51 116.94 1k0t n ALA 70 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1k0t n ALA 70 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1k0t n ALA 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1k0t s GLU 71 N -2.00 4.17 -0.33 0.00 -1.05 -1.25 -4.05 118.70 114.19 1k0t s GLU 71 Ca 0.00 2.38 0.04 0.00 -0.15 0.00 0.00 54.97 57.24 1k0t s GLU 71 Cb 0.00 -3.94 0.33 0.00 -0.44 0.00 0.00 34.13 30.07 1k0t s GLU 71 CO 0.00 -0.86 1.40 -2.37 0.95 0.00 0.00 175.26 174.38 1k0t n THR 72 N 5.31 0.00 0.00 1.83 5.66 -1.26 -4.73 114.28 121.09 1k0t n THR 72 Ca 0.18 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1k0t n THR 72 Cb 0.41 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.27 1k0t n THR 72 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1k0t n THR 73 N 0.51 0.00 0.04 1.09 5.66 -1.26 -4.51 114.28 115.80 1k0t n THR 73 Ca -0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.85 1k0t n THR 73 Cb 0.76 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.41 1k0t n THR 73 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1k0t h ARG 74 N 0.00 0.05 0.00 1.09 1.12 -1.93 -3.37 114.38 111.34 1k0t h ARG 74 Ca 0.00 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.76 1k0t h ARG 74 Cb 0.00 0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 29.92 1k0t h ARG 74 CO 0.00 0.87 -0.46 0.43 -3.11 0.00 0.00 179.97 177.69 1k0t n SER 75 N -3.28 0.96 -0.31 -3.80 7.64 -1.26 -3.52 113.62 110.05 1k0t n SER 75 Ca -0.08 -2.47 -0.08 0.00 1.01 0.00 0.00 58.87 57.24 1k0t n SER 75 Cb 0.99 -0.31 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 1k0t n SER 75 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1k0t n MET 76 N -0.40 -0.33 0.00 1.43 2.81 -1.26 -3.92 117.12 115.46 1k0t n MET 76 Ca 0.07 1.28 0.00 0.00 -1.81 0.00 0.00 57.70 57.25 1k0t n MET 76 Cb 0.76 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k0t n GLY 77 N -1.19 0.09 0.30 3.03 0.00 -1.26 -4.77 105.19 101.39 1k0t n GLY 77 Ca 0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1k0t n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k0t n LEU 78 N -0.75 1.83 -0.64 0.99 -0.00 -1.26 -4.42 117.00 112.74 1k0t n LEU 78 Ca 0.00 0.17 0.49 0.00 -0.00 0.00 0.00 56.01 56.67 1k0t n LEU 78 Cb 0.00 -0.63 0.77 0.00 -0.00 0.00 0.00 43.42 43.56 1k0t n LEU 78 CO 0.00 0.53 1.39 0.00 -0.00 0.00 0.00 177.39 179.30 1k0t n ALA 79 N -3.73 1.73 0.63 1.96 0.00 -1.26 -5.06 120.51 114.77 1k0t n ALA 79 Ca -0.39 0.69 0.05 0.00 0.00 0.00 0.00 53.44 53.79 1k0t n ALA 79 Cb 0.81 -1.09 0.30 0.00 0.00 0.00 0.00 19.45 19.47 1k0t n ALA 79 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98