#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 0.00 -1.58 1.43 -0.00 -1.26 -4.92 115.22 108.88 1k0t n HIS 2 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1k0t n HIS 2 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 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 0.00 -8.43 -2.16 4.39 3.41 -1.26 -4.81 113.62 104.75 1k0t n SER 3 Ca 0.00 1.83 -0.02 0.00 -0.26 0.00 0.00 58.87 60.43 1k0t n SER 3 Cb 0.00 -5.16 0.05 0.00 -0.26 0.00 0.00 64.21 58.83 1k0t n SER 3 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1k0t n VAL 4 N -2.91 0.34 -0.34 -3.33 0.24 -1.26 -4.83 118.33 106.25 1k0t n VAL 4 Ca -0.02 -1.30 -0.29 0.00 -2.04 0.00 0.00 64.34 60.69 1k0t n VAL 4 Cb 0.52 0.98 0.28 0.00 -1.47 0.00 0.00 33.84 34.15 1k0t n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1k0t n LYS 5 N -0.62 -3.86 -2.25 7.34 4.76 -1.26 -4.43 118.16 117.83 1k0t n LYS 5 Ca -0.09 -1.13 -0.43 0.00 -2.87 0.00 0.00 58.31 53.79 1k0t n LYS 5 Cb 0.86 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1k0t n LYS 5 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1k0t n ILE 6 N -5.49 3.84 -4.55 -0.18 -0.00 -1.26 -4.45 119.36 107.26 1k0t n ILE 6 Ca 0.08 -3.79 -0.26 0.00 -0.00 0.00 0.00 62.75 58.78 1k0t n ILE 6 Cb 0.57 -2.47 -0.11 0.00 -0.00 0.00 0.00 39.64 37.64 1k0t n ILE 6 CO 0.00 0.00 0.00 -0.31 -0.00 0.00 0.00 176.55 176.24 1k0t s TYR 7 N 3.00 2.44 -0.27 1.39 2.02 -1.26 -5.02 117.35 119.65 1k0t s TYR 7 Ca 0.48 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.62 1k0t s TYR 7 Cb 0.08 -1.48 0.08 0.00 -0.40 0.00 0.00 41.96 40.23 1k0t s TYR 7 CO -0.01 0.55 2.43 -0.40 -1.57 0.00 0.00 175.55 176.55 1k0t n ASP 8 N -0.84 6.15 -4.49 2.29 5.75 -1.26 -4.81 116.55 119.33 1k0t n ASP 8 Ca -0.05 -2.93 -0.43 0.00 -0.01 0.00 0.00 54.79 51.37 1k0t n ASP 8 Cb 0.64 -1.16 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 1k0t n ASP 8 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1k0t s THR 9 N -1.51 4.36 -0.25 2.12 -1.32 -1.26 -4.92 115.64 112.86 1k0t s THR 9 Ca 0.39 -0.97 -0.26 0.00 -1.21 0.00 0.00 61.69 59.64 1k0t s THR 9 Cb 0.25 -4.84 0.08 0.00 -1.51 0.00 0.00 72.50 66.49 1k0t s THR 9 CO -0.06 -1.63 0.79 0.00 -2.21 0.00 0.00 174.62 171.51 1k0t n ILE 11 N 2.40 0.00 0.00 0.00 -6.64 -1.26 -4.98 119.36 108.88 1k0t n ILE 11 Ca -0.14 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.60 1k0t n ILE 11 Cb 0.55 0.57 0.00 0.00 -1.44 0.00 0.00 39.64 39.32 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 1.67 1.82 3.78 3.28 0.00 -1.26 -5.12 105.19 109.37 1k0t n GLY 12 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1k0t n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t n THR 14 N -1.37 -0.64 0.00 0.00 -2.24 -1.26 -4.89 114.28 103.89 1k0t n THR 14 Ca -0.07 -3.77 0.00 0.00 -2.27 0.00 0.00 64.05 57.93 1k0t n THR 14 Cb 0.65 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t n GLN 15 N 2.41 0.00 -0.10 -0.78 10.64 -1.26 -4.65 117.38 123.63 1k0t n GLN 15 Ca 0.27 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.46 1k0t n GLN 15 Cb 0.47 -0.66 0.06 0.00 -0.86 0.00 0.00 30.24 29.25 1k0t n GLN 15 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1k0t n VAL 17 N -0.02 0.00 -0.02 0.00 0.24 -1.26 -4.58 118.33 112.69 1k0t n VAL 17 Ca 0.04 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.82 1k0t n VAL 17 Cb 0.25 1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 33.73 1k0t n VAL 17 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1k0t n ARG 18 N 0.25 0.08 -0.20 7.34 3.00 -1.05 -4.76 116.66 121.32 1k0t n ARG 18 Ca 0.04 0.03 -0.11 0.00 -0.01 0.00 0.00 57.85 57.80 1k0t n ARG 18 Cb 0.16 -0.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.82 1k0t n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k0t h ALA 19 N -0.10 -0.56 -1.59 7.54 0.00 -1.78 -3.38 119.26 119.39 1k0t h ALA 19 Ca -0.09 0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 1k0t h ALA 19 Cb 1.09 1.09 0.01 0.00 0.00 0.00 0.00 17.79 19.97 1k0t h ALA 19 CO -0.05 -0.95 1.11 0.00 0.00 0.00 0.00 179.25 179.36 1k0t h PRO 21 N 9.25 -0.30 0.00 0.00 0.13 -1.79 -3.40 132.00 135.88 1k0t h PRO 21 Ca -0.42 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1k0t h PRO 21 Cb 1.30 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1k0t h PRO 21 CO 0.97 -0.20 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 1k0t n LEU 22 N -4.77 0.00 0.00 1.56 4.32 -1.26 -4.91 117.00 111.94 1k0t n LEU 22 Ca -0.04 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1k0t n LEU 22 Cb 0.12 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1k0t n LEU 22 CO 0.09 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.36 1k0t n ASP 23 N -0.16 0.00 -0.06 -1.43 5.68 -1.26 -5.08 116.55 114.24 1k0t n ASP 23 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1k0t n ASP 23 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 1k0t n ASP 23 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1k0t h VAL 24 N 0.00 0.00 -0.17 2.12 2.07 -1.90 -3.41 116.25 114.95 1k0t h VAL 24 Ca 0.00 -0.91 -0.16 0.00 0.82 0.00 0.00 66.70 66.45 1k0t h VAL 24 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1k0t h VAL 24 CO 0.00 0.00 0.49 0.18 0.02 0.00 0.00 177.57 178.26 1k0t n LEU 25 N -4.44 1.86 -4.83 2.57 4.32 -1.26 -4.10 117.00 111.11 1k0t n LEU 25 Ca -0.05 -2.61 -0.23 0.00 -0.02 0.00 0.00 56.01 53.11 1k0t n LEU 25 Cb 0.17 -1.61 -0.04 0.00 -1.62 0.00 0.00 43.42 40.32 1k0t n LEU 25 CO 0.07 -2.94 -0.04 -1.61 -1.22 0.00 0.00 177.39 171.64 1k0t s GLU 26 N 7.75 2.36 0.26 3.23 2.02 0.03 -4.59 118.70 129.76 1k0t s GLU 26 Ca 0.76 -1.76 -0.30 0.00 0.02 0.00 0.00 54.97 53.70 1k0t s GLU 26 Cb -0.01 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.94 1k0t s GLU 26 CO 0.19 -0.26 1.39 -1.64 0.02 0.00 0.00 175.26 174.95 1k0t s MET 27 N -4.08 4.31 0.30 1.61 -1.94 -1.26 0.92 119.30 119.15 1k0t s MET 27 Ca 0.42 2.24 0.03 0.00 -1.71 0.00 0.00 55.69 56.67 1k0t s MET 27 Cb -0.00 -3.11 -0.06 0.00 2.01 0.00 0.00 34.83 33.67 1k0t s MET 27 CO 0.24 -0.34 0.08 0.14 -0.01 0.00 0.00 175.02 175.14 1k0t s VAL 28 N -0.26 0.87 -0.35 -6.03 -7.23 0.19 -4.83 120.40 102.76 1k0t s VAL 28 Ca 0.56 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 1k0t s VAL 28 Cb -0.40 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1k0t s VAL 28 CO 0.45 0.00 1.38 -2.16 -0.31 0.00 0.00 175.10 174.46 1k0t s PRO 29 N -3.93 3.75 0.34 4.82 0.04 -1.26 -1.82 135.00 136.93 1k0t s PRO 29 Ca 0.36 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.57 1k0t s PRO 29 Cb 0.08 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 1k0t s PRO 29 CO 0.15 -1.34 0.14 -0.46 0.04 0.00 0.00 177.00 175.52 1k0t s TRP 30 N 4.93 1.71 -0.37 0.56 -0.00 -0.54 -4.74 118.94 120.49 1k0t s TRP 30 Ca 0.60 -1.28 0.12 0.00 -0.00 0.00 0.00 56.10 55.54 1k0t s TRP 30 Cb -0.16 -1.01 0.36 0.00 -0.00 0.00 0.00 33.47 32.66 1k0t s TRP 30 CO 0.28 -0.38 0.77 -3.47 -0.00 0.00 0.00 176.95 174.15 1k0t n ASP 31 N -1.01 0.80 0.00 5.86 2.03 -1.26 -3.68 116.55 119.29 1k0t n ASP 31 Ca -0.01 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1k0t n ASP 31 Cb 0.65 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1k0t n ASP 31 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k0t n GLY 32 N 0.24 0.11 3.76 0.27 0.00 -1.26 -5.02 105.19 103.29 1k0t n GLY 32 Ca 0.23 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.38 0.00 -0.26 0.00 1.79 -2.00 0.12 116.57 114.83 1k0t h LYS 34 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1k0t h LYS 34 Cb 1.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1k0t h LYS 34 CO 0.58 0.03 0.00 0.00 -1.08 0.00 0.00 179.45 178.98 1k0t n ALA 35 N -2.37 2.78 -4.03 3.86 0.00 -1.26 -4.97 120.51 114.51 1k0t n ALA 35 Ca -0.03 -2.07 -0.33 0.00 0.00 0.00 0.00 53.44 51.02 1k0t n ALA 35 Cb 0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.34 -0.45 3.33 0.00 0.00 0.41 -4.90 105.19 103.23 1k0t n GLY 36 Ca 0.19 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -6.88 0.39 -0.04 1.61 1.03 -1.24 -1.47 119.66 113.06 1k0t s GLN 37 Ca 0.19 1.10 -0.07 0.00 0.04 0.00 0.00 55.36 56.61 1k0t s GLN 37 Cb -0.09 0.41 -0.05 0.00 0.03 0.00 0.00 33.01 33.32 1k0t s GLN 37 CO 0.93 -0.27 0.24 -1.50 -2.54 0.00 0.00 175.29 172.14 1k0t s ILE 38 N 2.68 5.35 -0.59 3.63 2.07 -0.75 -4.72 121.20 128.87 1k0t s ILE 38 Ca -0.01 0.25 -0.25 0.00 -1.41 0.00 0.00 60.65 59.22 1k0t s ILE 38 Cb -0.12 -3.53 0.04 0.00 0.13 0.00 0.00 42.46 38.98 1k0t s ILE 38 CO -0.15 0.48 1.03 0.00 -1.91 0.00 0.00 174.94 174.40 1k0t s ALA 39 N -1.18 3.08 0.15 1.50 0.00 -1.26 0.54 121.76 124.59 1k0t s ALA 39 Ca 0.23 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1k0t s ALA 39 Cb -0.13 -3.87 0.02 0.00 0.00 0.00 0.00 23.12 19.13 1k0t s ALA 39 CO 0.12 -2.59 0.27 0.43 0.00 0.00 0.00 175.76 173.99 1k0t n SER 40 N 7.90 -0.77 -4.68 0.00 7.64 0.26 -4.78 113.62 119.20 1k0t n SER 40 Ca 0.03 -1.69 -0.42 0.00 1.01 0.00 0.00 58.87 57.79 1k0t n SER 40 Cb 0.48 1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 64.98 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 -1.85 6.87 -0.08 6.43 0.01 -1.26 -0.79 113.70 123.03 1k0t s SER 41 Ca 0.08 1.99 -0.24 0.00 1.31 0.00 0.00 55.95 59.10 1k0t s SER 41 Cb -0.01 -2.55 -0.19 0.00 0.21 0.00 0.00 66.02 63.47 1k0t s SER 41 CO 0.06 -0.75 0.87 1.55 0.41 0.00 0.00 173.24 175.39 1k0t h PRO 42 N 8.19 -0.07 0.00 12.44 0.13 -1.84 -3.43 132.00 147.42 1k0t h PRO 42 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1k0t h PRO 42 Cb 1.16 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1k0t h PRO 42 CO 0.93 0.54 -0.21 0.54 -0.23 0.00 0.00 178.00 179.57 1k0t n ARG 43 N -4.79 0.00 -1.58 0.86 1.74 -1.26 -4.98 116.66 106.66 1k0t n ARG 43 Ca -0.08 -0.50 -0.03 0.00 -0.77 0.00 0.00 57.85 56.47 1k0t n ARG 43 Cb 0.32 -0.30 -0.01 0.00 -1.02 0.00 0.00 32.46 31.45 1k0t n ARG 43 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1k0t n THR 44 N 0.00 -0.04 -0.22 0.55 -1.04 -1.26 -4.68 114.28 107.59 1k0t n THR 44 Ca 0.00 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.26 1k0t n THR 44 Cb 0.58 -0.28 0.64 0.00 -1.82 0.00 0.00 70.33 69.45 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 0.00 0.16 0.00 -2.82 4.11 -1.97 -3.41 114.58 110.64 1k0t h GLU 45 Ca -0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1k0t h GLU 45 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1k0t h GLU 45 CO 0.07 0.10 0.00 -0.25 0.07 0.00 0.00 179.01 179.01 1k0t n ASP 46 N -4.37 0.35 -0.31 3.06 9.92 -1.26 -5.05 116.55 118.89 1k0t n ASP 46 Ca 0.20 -0.70 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 1k0t n ASP 46 Cb 0.89 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.37 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k0t n VAL 48 N -0.55 0.31 -1.08 0.00 3.14 -1.26 -5.03 118.33 113.86 1k0t n VAL 48 Ca 0.00 -1.62 0.00 0.00 -2.96 0.00 0.00 64.34 59.76 1k0t n VAL 48 Cb 0.00 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.81 1k0t n VAL 48 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k0t n GLY 49 N -1.05 -0.40 2.64 7.55 0.00 -1.26 -5.00 105.19 107.67 1k0t n GLY 49 Ca -0.08 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1k0t n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k0t s LYS 51 N 2.17 3.27 -0.43 0.00 -2.85 -1.26 -4.62 119.74 116.02 1k0t s LYS 51 Ca 0.03 -0.88 0.05 0.00 -1.00 0.00 0.00 55.97 54.17 1k0t s LYS 51 Cb -0.15 -5.27 0.31 0.00 -2.06 0.00 0.00 37.83 30.66 1k0t s LYS 51 CO -0.08 -2.58 1.16 0.54 0.10 0.00 0.00 175.35 174.48 1k0t n ARG 52 N 8.86 0.80 -2.49 1.78 5.12 -1.26 -4.98 116.66 124.50 1k0t n ARG 52 Ca 0.36 -1.64 -0.04 0.00 -1.93 0.00 0.00 57.85 54.60 1k0t n ARG 52 Cb 0.50 -0.88 0.06 0.00 -1.16 0.00 0.00 32.46 30.97 1k0t n ARG 52 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1k0t n GLU 54 N -0.67 2.24 -0.73 0.00 0.28 -1.26 -3.63 120.64 116.86 1k0t n GLU 54 Ca -0.14 -2.09 -0.01 0.00 -0.16 0.00 0.00 57.16 54.76 1k0t n GLU 54 Cb 0.73 -2.01 -0.02 0.00 1.43 0.00 0.00 31.44 31.58 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1k0t n THR 55 N 0.83 0.00 -0.28 3.84 5.66 -1.26 -4.38 114.28 118.69 1k0t n THR 55 Ca 0.44 -0.10 0.09 0.00 -3.05 0.00 0.00 64.05 61.43 1k0t n THR 55 Cb 0.58 0.32 0.24 0.00 -1.55 0.00 0.00 70.33 69.92 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t h ALA 56 N 0.10 1.20 0.00 1.79 0.00 -1.88 -3.27 119.26 117.20 1k0t h ALA 56 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k0t h ALA 56 Cb 1.27 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1k0t h ALA 56 CO -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.88 1k0t n PRO 58 N -0.55 0.81 -0.75 0.00 -0.04 -1.26 -0.99 135.00 132.22 1k0t n PRO 58 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1k0t n PRO 58 Cb 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1k0t n PRO 58 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1k0t n THR 59 N 1.71 0.00 -0.44 0.52 -1.04 -1.26 -4.82 114.28 108.96 1k0t n THR 59 Ca 0.03 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.39 1k0t n THR 59 Cb 0.40 -0.13 0.59 0.00 -1.82 0.00 0.00 70.33 69.37 1k0t n THR 59 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k0t n ASP 60 N 0.00 0.14 0.00 8.00 8.00 -1.26 -4.30 116.55 127.12 1k0t n ASP 60 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1k0t n ASP 60 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k0t n PHE 61 N -4.19 0.00 0.00 1.24 3.72 -1.26 -5.05 117.46 111.93 1k0t n PHE 61 Ca 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 1k0t n PHE 61 Cb 1.38 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.92 1k0t n PHE 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1k0t n LEU 62 N 0.00 0.00 0.00 4.37 7.99 -1.26 -4.84 117.00 123.26 1k0t n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1k0t n LEU 62 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1k0t n LEU 62 CO 0.00 0.00 0.00 -0.24 -1.51 0.00 0.00 177.39 175.64 1k0t n SER 63 N 0.05 -4.67 0.00 -1.43 2.88 -1.26 -4.74 113.62 104.44 1k0t n SER 63 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1k0t n SER 63 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k0t n SER 63 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1k0t n ILE 64 N -1.25 0.00 -4.18 2.46 5.41 -1.26 -4.61 119.36 115.92 1k0t n ILE 64 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1k0t n ILE 64 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1k0t n ILE 64 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1k0t s ARG 65 N 0.00 2.39 -0.07 0.38 1.81 -1.26 -5.12 118.95 117.08 1k0t s ARG 65 Ca 0.00 -0.90 0.02 0.00 -1.72 0.00 0.00 55.73 53.13 1k0t s ARG 65 Cb 0.00 -2.45 0.02 0.00 -0.45 0.00 0.00 34.95 32.07 1k0t s ARG 65 CO 0.00 0.53 -0.11 0.54 -0.68 0.00 0.00 175.30 175.58 1k0t s VAL 66 N -1.26 1.07 0.02 3.52 0.11 -1.26 -4.80 120.40 117.80 1k0t s VAL 66 Ca 0.24 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1k0t s VAL 66 Cb -0.11 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1k0t s VAL 66 CO 0.16 0.34 -0.07 -1.22 -3.33 0.00 0.00 175.10 170.98 1k0t n TYR 67 N 3.94 0.00 -1.00 1.54 4.02 -1.26 -4.99 117.16 119.41 1k0t n TYR 67 Ca -0.22 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.31 1k0t n TYR 67 Cb 0.51 -0.11 0.05 0.00 -0.02 0.00 0.00 39.34 39.77 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 -3.48 -5.35 -3.73 7.72 4.77 -1.26 -2.95 117.00 112.73 1k0t n LEU 68 Ca -0.03 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1k0t n LEU 68 Cb 0.11 -0.81 0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1k0t n LEU 68 CO 0.04 -5.75 -0.11 0.61 -1.33 0.00 0.00 177.39 170.86 1k0t n GLY 69 N 3.25 -0.60 0.04 -0.72 0.00 -1.26 -4.65 105.19 101.25 1k0t n GLY 69 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.20 0.00 -0.92 4.61 0.00 -1.15 -4.89 120.51 113.95 1k0t n ALA 70 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1k0t n ALA 70 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1k0t n ALA 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k0t n GLU 71 N -0.86 0.00 -1.08 0.00 -0.58 -1.22 -3.05 120.64 113.85 1k0t n GLU 71 Ca 0.00 0.37 -0.16 0.00 -0.42 0.00 0.00 57.16 56.96 1k0t n GLU 71 Cb 0.00 -1.04 0.21 0.00 -0.57 0.00 0.00 31.44 30.04 1k0t n GLU 71 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1k0t n THR 72 N -0.98 3.00 0.01 2.62 5.66 -1.26 -4.46 114.28 118.87 1k0t n THR 72 Ca 0.00 -2.06 -0.02 0.00 -3.05 0.00 0.00 64.05 58.92 1k0t n THR 72 Cb 0.00 -0.41 -0.01 0.00 -1.55 0.00 0.00 70.33 68.36 1k0t n THR 72 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1k0t h THR 73 N 1.31 0.00 0.00 1.09 2.02 -1.88 -2.21 112.91 113.23 1k0t h THR 73 Ca 0.47 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1k0t h THR 73 Cb 2.48 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1k0t h THR 73 CO 0.86 0.00 0.00 0.08 0.37 0.00 0.00 175.52 176.83 1k0t h ARG 74 N -0.96 0.00 -0.48 6.66 0.11 -1.80 -2.92 114.38 115.00 1k0t h ARG 74 Ca -0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 1k0t h ARG 74 Cb 0.09 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.12 1k0t h ARG 74 CO 0.02 0.00 0.07 0.45 0.10 0.00 0.00 179.97 180.61 1k0t n SER 75 N -2.60 4.39 -0.08 0.08 2.88 -1.25 -4.52 113.62 112.51 1k0t n SER 75 Ca 0.04 -3.15 -0.07 0.00 -1.33 0.00 0.00 58.87 54.36 1k0t n SER 75 Cb 0.42 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 63.23 1k0t n SER 75 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1k0t h MET 76 N 2.40 -0.19 0.00 -1.46 2.86 -1.19 -3.47 114.93 113.89 1k0t h MET 76 Ca 0.10 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1k0t h MET 76 Cb 1.84 0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.55 1k0t h MET 76 CO 0.45 -0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.70 1k0t n GLY 77 N -1.38 1.86 0.13 8.32 0.00 -1.26 -5.05 105.19 107.81 1k0t n GLY 77 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1k0t n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k0t n LEU 78 N 0.00 2.08 0.00 0.99 4.77 -1.26 -4.95 117.00 118.63 1k0t n LEU 78 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1k0t n LEU 78 Cb 0.00 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1k0t n LEU 78 CO 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 1k0t n ALA 79 N -3.81 1.96 0.00 -1.18 0.00 -1.26 -5.26 120.51 110.97 1k0t n ALA 79 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1k0t n ALA 79 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1k0t n ALA 79 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16