#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k0t s HIS 2 N 0.00 2.20 0.43 1.43 5.65 -1.26 -4.27 115.29 119.47 1k0t s HIS 2 Ca 0.00 -0.51 0.00 0.00 0.25 0.00 0.00 55.06 54.80 1k0t s HIS 2 Cb 0.00 -1.16 0.00 0.00 -1.18 0.00 0.00 32.58 30.24 1k0t s HIS 2 CO 0.00 0.53 0.00 -1.13 -0.65 0.00 0.00 174.74 173.49 1k0t n SER 3 N -0.66 -6.70 -2.47 9.88 3.41 -1.26 -4.80 113.62 111.02 1k0t n SER 3 Ca -0.05 0.94 -0.03 0.00 -0.26 0.00 0.00 58.87 59.46 1k0t n SER 3 Cb 0.62 -4.14 0.02 0.00 -0.26 0.00 0.00 64.21 60.45 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 -3.92 0.00 -0.82 -3.33 3.14 -1.26 -4.65 118.33 107.49 1k0t n VAL 4 Ca -0.05 -0.70 -0.30 0.00 -2.96 0.00 0.00 64.34 60.33 1k0t n VAL 4 Cb 0.62 0.66 0.26 0.00 -1.06 0.00 0.00 33.84 34.32 1k0t n VAL 4 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1k0t s LYS 5 N 0.06 -2.08 -0.68 1.45 1.02 -1.26 -4.90 119.74 113.35 1k0t s LYS 5 Ca 0.06 -0.08 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 1k0t s LYS 5 Cb 0.13 -1.50 0.04 0.00 -0.52 0.00 0.00 37.83 35.98 1k0t s LYS 5 CO -0.03 -4.27 1.20 0.42 -0.92 0.00 0.00 175.35 171.74 1k0t s ILE 6 N -2.75 3.90 0.05 2.17 1.09 -1.26 -4.86 121.20 119.55 1k0t s ILE 6 Ca 0.71 0.40 0.04 0.00 -1.10 0.00 0.00 60.65 60.69 1k0t s ILE 6 Cb -0.09 -4.83 -0.03 0.00 -1.06 0.00 0.00 42.46 36.45 1k0t s ILE 6 CO 0.56 -1.65 -0.11 -0.31 -0.10 0.00 0.00 174.94 173.33 1k0t s TYR 7 N 5.24 0.92 -0.33 3.97 2.02 -1.26 -5.03 117.35 122.89 1k0t s TYR 7 Ca 0.35 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.56 1k0t s TYR 7 Cb -0.09 -0.53 0.21 0.00 -0.40 0.00 0.00 41.96 41.15 1k0t s TYR 7 CO 0.17 -0.02 2.05 -0.40 -1.57 0.00 0.00 175.55 175.78 1k0t n ASP 8 N 1.40 6.49 -4.37 2.29 5.68 -1.26 -4.82 116.55 121.97 1k0t n ASP 8 Ca -0.22 -3.08 -0.45 0.00 -0.50 0.00 0.00 54.79 50.54 1k0t n ASP 8 Cb 0.54 -1.06 -0.04 0.00 -1.14 0.00 0.00 41.12 39.42 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 -2.33 5.05 -0.21 2.12 -1.32 -1.26 -4.97 115.64 112.72 1k0t s THR 9 Ca 0.32 -1.53 -0.14 0.00 -1.21 0.00 0.00 61.69 59.13 1k0t s THR 9 Cb 0.25 -4.52 0.06 0.00 -1.51 0.00 0.00 72.50 66.78 1k0t s THR 9 CO -0.01 -1.14 0.53 0.00 -2.21 0.00 0.00 174.62 171.79 1k0t n ILE 11 N 3.72 0.00 0.00 0.00 -6.64 -1.26 -4.94 119.36 110.24 1k0t n ILE 11 Ca -0.19 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 60.49 1k0t n ILE 11 Cb 0.57 0.40 0.00 0.00 -1.44 0.00 0.00 39.64 39.17 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 1.41 1.66 3.83 3.28 0.00 -1.26 -5.07 105.19 109.04 1k0t n GLY 12 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.53 1.12 0.00 0.00 -4.23 -1.26 -4.88 115.64 103.86 1k0t s THR 14 Ca 0.45 -3.02 0.00 0.00 -1.18 0.00 0.00 61.69 57.94 1k0t s THR 14 Cb -0.00 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1k0t s THR 14 CO 0.26 -1.13 0.00 0.00 -0.54 0.00 0.00 174.62 173.21 1k0t n GLN 15 N 2.75 0.00 -0.34 3.99 10.64 -1.26 -4.68 117.38 128.48 1k0t n GLN 15 Ca 0.24 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.43 1k0t n GLN 15 Cb 0.42 -0.62 0.15 0.00 -0.86 0.00 0.00 30.24 29.33 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 0.22 0.58 0.00 0.00 0.31 -1.26 -4.72 118.33 113.46 1k0t n VAL 17 Ca 0.11 -0.65 -0.01 0.00 -0.01 0.00 0.00 64.34 63.77 1k0t n VAL 17 Cb 0.62 0.76 -0.00 0.00 -0.91 0.00 0.00 33.84 34.30 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 -0.29 0.03 -2.24 5.55 3.00 -1.15 -4.89 116.66 116.67 1k0t n ARG 18 Ca 0.00 0.01 -0.32 0.00 -0.01 0.00 0.00 57.85 57.53 1k0t n ARG 18 Cb 0.27 -0.55 -0.04 0.00 0.00 0.00 0.00 32.46 32.14 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 -2.03 2.13 -0.33 7.54 0.00 -1.22 -4.69 121.76 123.16 1k0t s ALA 19 Ca -0.02 -1.98 -0.06 0.00 0.00 0.00 0.00 51.96 49.90 1k0t s ALA 19 Cb 0.01 -4.58 0.19 0.00 0.00 0.00 0.00 23.12 18.73 1k0t s ALA 19 CO 0.03 -4.44 0.94 0.00 0.00 0.00 0.00 175.76 172.29 1k0t n PRO 21 N 4.26 1.30 0.00 0.00 -0.04 -1.26 -4.34 135.00 134.92 1k0t n PRO 21 Ca 0.07 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.99 1k0t n PRO 21 Cb 0.60 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1k0t n PRO 21 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k0t n LEU 22 N 2.35 0.00 -1.88 1.53 4.77 -1.26 -5.07 117.00 117.44 1k0t n LEU 22 Ca 0.24 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1k0t n LEU 22 Cb 0.61 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.75 1k0t n LEU 22 CO 0.11 0.00 0.40 0.47 -1.33 0.00 0.00 177.39 177.04 1k0t n ASP 23 N 0.00 -0.66 -4.95 -1.43 9.92 -1.26 -5.09 116.55 113.08 1k0t n ASP 23 Ca 0.00 -1.49 -0.19 0.00 -0.53 0.00 0.00 54.79 52.58 1k0t n ASP 23 Cb 0.00 0.30 -0.01 0.00 -0.64 0.00 0.00 41.12 40.77 1k0t n ASP 23 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k0t s VAL 24 N 0.05 3.49 -0.49 2.53 1.01 -1.26 -4.76 120.40 120.97 1k0t s VAL 24 Ca 0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1k0t s VAL 24 Cb 0.18 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1k0t s VAL 24 CO -0.05 -0.10 0.48 0.18 0.00 0.00 0.00 175.10 175.61 1k0t n LEU 25 N -1.63 -5.44 0.00 3.92 4.77 -1.26 -4.92 117.00 112.44 1k0t n LEU 25 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1k0t n LEU 25 Cb 0.59 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 1k0t n LEU 25 CO 0.41 -0.89 0.00 -0.62 -1.33 0.00 0.00 177.39 174.96 1k0t n GLU 26 N -1.39 1.49 -3.06 3.23 -0.58 0.15 -4.66 120.64 115.81 1k0t n GLU 26 Ca 0.01 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.35 1k0t n GLU 26 Cb 0.48 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.30 1k0t n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k0t s MET 27 N -1.98 4.43 0.34 3.49 0.23 -1.26 0.12 119.30 124.67 1k0t s MET 27 Ca 0.00 0.87 0.04 0.00 -1.03 0.00 0.00 55.69 55.58 1k0t s MET 27 Cb 0.00 -3.44 -0.07 0.00 -1.53 0.00 0.00 34.83 29.80 1k0t s MET 27 CO 0.00 0.10 0.05 0.14 -2.03 0.00 0.00 175.02 173.28 1k0t s VAL 28 N 0.69 1.35 -0.24 5.16 -7.23 0.05 -4.85 120.40 115.31 1k0t s VAL 28 Ca 0.37 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.25 1k0t s VAL 28 Cb -0.18 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 1k0t s VAL 28 CO 0.18 0.00 1.32 -2.16 -0.31 0.00 0.00 175.10 174.13 1k0t s PRO 29 N -3.85 4.02 0.30 4.82 0.04 -1.26 -1.80 135.00 137.26 1k0t s PRO 29 Ca 0.36 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.86 1k0t s PRO 29 Cb 0.09 -3.85 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1k0t s PRO 29 CO 0.16 -0.99 0.15 -0.46 0.04 0.00 0.00 177.00 175.90 1k0t s TRP 30 N 4.13 1.59 -0.39 0.56 -0.00 0.32 -4.68 118.94 120.47 1k0t s TRP 30 Ca 0.57 -1.33 0.11 0.00 -0.00 0.00 0.00 56.10 55.45 1k0t s TRP 30 Cb -0.19 -0.87 0.34 0.00 -0.00 0.00 0.00 33.47 32.74 1k0t s TRP 30 CO 0.21 -0.48 0.72 -3.47 -0.00 0.00 0.00 176.95 173.93 1k0t n ASP 31 N -0.84 0.99 0.00 5.86 2.03 -1.26 -3.64 116.55 119.68 1k0t n ASP 31 Ca 0.01 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.30 1k0t n ASP 31 Cb 0.65 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.36 0.10 3.81 0.27 0.00 -1.26 -5.03 105.19 103.44 1k0t n GLY 32 Ca 0.25 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.40 0.00 -0.29 0.00 3.11 -1.98 -1.11 116.57 114.90 1k0t h LYS 34 Ca -0.50 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1k0t h LYS 34 Cb 1.33 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1k0t h LYS 34 CO 0.63 0.19 0.00 0.00 -2.81 0.00 0.00 179.45 177.45 1k0t n ALA 35 N -2.40 3.08 -4.15 5.00 0.00 -1.26 -4.96 120.51 115.82 1k0t n ALA 35 Ca -0.02 -2.28 -0.32 0.00 0.00 0.00 0.00 53.44 50.82 1k0t n ALA 35 Cb 0.27 -0.75 -0.05 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 -0.41 -0.29 3.15 0.00 0.00 -0.42 -4.86 105.19 102.35 1k0t n GLY 36 Ca 0.22 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 -7.09 0.24 0.05 1.61 1.03 -1.24 -0.52 119.66 113.74 1k0t s GLN 37 Ca 0.10 0.90 -0.11 0.00 0.04 0.00 0.00 55.36 56.29 1k0t s GLN 37 Cb -0.05 0.16 -0.06 0.00 0.03 0.00 0.00 33.01 33.10 1k0t s GLN 37 CO 0.96 -0.26 0.39 -1.50 -2.54 0.00 0.00 175.29 172.33 1k0t s ILE 38 N 2.50 5.10 -0.66 3.63 1.10 -0.75 -4.70 121.20 127.41 1k0t s ILE 38 Ca -0.01 0.54 -0.27 0.00 -0.51 0.00 0.00 60.65 60.40 1k0t s ILE 38 Cb -0.12 -3.65 0.03 0.00 0.15 0.00 0.00 42.46 38.87 1k0t s ILE 38 CO -0.11 0.38 1.22 0.00 -2.11 0.00 0.00 174.94 174.31 1k0t s ALA 39 N -1.30 2.88 0.37 1.50 0.00 -1.26 -0.77 121.76 123.18 1k0t s ALA 39 Ca 0.30 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1k0t s ALA 39 Cb -0.15 -4.13 0.03 0.00 0.00 0.00 0.00 23.12 18.88 1k0t s ALA 39 CO 0.16 -2.97 0.64 0.43 0.00 0.00 0.00 175.76 174.02 1k0t n SER 40 N 8.84 -1.84 -4.72 0.00 7.64 0.32 -4.82 113.62 119.05 1k0t n SER 40 Ca 0.05 -2.72 -0.42 0.00 1.01 0.00 0.00 58.87 56.79 1k0t n SER 40 Cb 0.49 3.19 -0.03 0.00 -1.01 0.00 0.00 64.21 66.84 1k0t n SER 40 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k0t s SER 41 N -3.09 7.07 -0.07 6.43 1.04 -1.26 0.29 113.70 124.10 1k0t s SER 41 Ca 0.22 2.08 -0.19 0.00 0.48 0.00 0.00 55.95 58.54 1k0t s SER 41 Cb -0.03 -2.58 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 1k0t s SER 41 CO 0.16 -0.46 0.71 1.55 0.98 0.00 0.00 173.24 176.19 1k0t h PRO 42 N 6.49 -0.16 0.00 4.02 0.13 -1.89 -3.41 132.00 137.18 1k0t h PRO 42 Ca -0.42 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1k0t h PRO 42 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1k0t h PRO 42 CO 0.80 0.28 0.00 0.54 -0.23 0.00 0.00 178.00 179.39 1k0t n ARG 43 N -4.86 0.38 -1.05 0.86 1.74 -1.26 -4.98 116.66 107.49 1k0t n ARG 43 Ca -0.07 -0.59 -0.07 0.00 -0.77 0.00 0.00 57.85 56.35 1k0t n ARG 43 Cb 0.26 -0.57 -0.03 0.00 -1.02 0.00 0.00 32.46 31.09 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 -0.07 0.00 -0.26 0.55 -1.04 -1.26 -4.74 114.28 107.47 1k0t n THR 44 Ca 0.00 0.00 0.27 0.00 -2.04 0.00 0.00 64.05 62.28 1k0t n THR 44 Cb 0.44 -1.00 0.64 0.00 -1.82 0.00 0.00 70.33 68.59 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 -1.95 -3.41 114.58 110.67 1k0t h GLU 45 Ca -0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1k0t h GLU 45 Cb 0.78 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1k0t h GLU 45 CO 0.22 0.11 0.00 -0.25 0.07 0.00 0.00 179.01 179.16 1k0t n ASP 46 N -4.38 0.00 -1.31 3.06 8.00 -1.26 -4.99 116.55 115.66 1k0t n ASP 46 Ca 0.22 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1k0t n ASP 46 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 1k0t n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k0t n VAL 48 N 0.09 2.90 -2.90 0.00 0.24 -1.26 -4.96 118.33 112.44 1k0t n VAL 48 Ca 0.00 -2.83 -0.09 0.00 -2.04 0.00 0.00 64.34 59.38 1k0t n VAL 48 Cb 0.00 -0.63 0.01 0.00 -1.47 0.00 0.00 33.84 31.75 1k0t n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k0t n GLY 49 N -1.03 -1.24 0.07 7.63 0.00 -1.26 -4.97 105.19 104.39 1k0t n GLY 49 Ca 0.46 1.20 -0.08 0.00 0.00 0.00 0.00 46.02 47.60 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 -2.61 -1.00 0.00 0.00 4.01 -1.26 -5.00 118.16 112.30 1k0t n LYS 51 Ca -0.25 0.68 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1k0t n LYS 51 Cb 0.94 -3.78 0.00 0.00 -0.51 0.00 0.00 35.03 31.68 1k0t n LYS 51 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1k0t n ARG 52 N -2.02 0.00 0.00 1.97 5.12 -1.26 -4.83 116.66 115.63 1k0t n ARG 52 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1k0t n ARG 52 Cb 0.54 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 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 -2.50 -2.87 -1.50 0.00 4.71 -1.26 -4.59 120.64 112.62 1k0t n GLU 54 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1k0t n GLU 54 Cb 0.00 -4.23 0.00 0.00 -1.01 0.00 0.00 31.44 26.21 1k0t n GLU 54 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1k0t n THR 55 N -2.34 0.09 -1.73 2.62 5.66 -1.26 -3.74 114.28 113.58 1k0t n THR 55 Ca 0.00 -0.88 -0.26 0.00 -3.05 0.00 0.00 64.05 59.86 1k0t n THR 55 Cb 0.47 0.89 -0.08 0.00 -1.55 0.00 0.00 70.33 70.06 1k0t n THR 55 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k0t n ALA 56 N 0.23 1.34 -1.30 1.79 0.00 -1.26 -4.05 120.51 117.26 1k0t n ALA 56 Ca -0.03 -2.76 0.17 0.00 0.00 0.00 0.00 53.44 50.82 1k0t n ALA 56 Cb 1.00 -3.47 -0.05 0.00 0.00 0.00 0.00 19.45 16.93 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 -3.89 0.74 -0.49 0.00 -0.04 -1.26 -3.96 135.00 126.10 1k0t n PRO 58 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1k0t n PRO 58 Cb 0.65 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.01 0.00 0.18 0.52 -1.04 -1.25 -4.83 114.28 106.86 1k0t n THR 59 Ca 0.18 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.36 1k0t n THR 59 Cb 0.09 -0.01 0.64 0.00 -1.82 0.00 0.00 70.33 69.22 1k0t n THR 59 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1k0t h ASP 60 N 0.00 0.00 0.00 8.00 1.82 -1.91 -3.25 116.42 121.08 1k0t h ASP 60 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1k0t h ASP 60 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1k0t h ASP 60 CO 0.00 0.00 0.00 0.49 -1.61 0.00 0.00 179.24 178.12 1k0t n PHE 61 N -3.18 0.00 -2.32 0.28 3.72 -1.26 -4.96 117.46 109.74 1k0t n PHE 61 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1k0t n PHE 61 Cb 0.70 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.21 1k0t n PHE 61 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 1k0t s LEU 62 N -4.75 3.52 0.00 4.37 0.05 -1.23 -4.95 118.68 115.70 1k0t s LEU 62 Ca 0.00 0.70 0.00 0.00 0.05 0.00 0.00 54.13 54.88 1k0t s LEU 62 Cb 0.00 -3.37 0.00 0.00 -2.05 0.00 0.00 46.19 40.77 1k0t s LEU 62 CO 0.00 -1.57 0.00 -1.54 -0.55 0.00 0.00 176.35 172.69 1k0t n SER 63 N 9.31 0.00 -3.16 1.48 3.41 -1.26 -4.37 113.62 119.03 1k0t n SER 63 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.81 1k0t n SER 63 Cb 0.48 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1k0t n SER 63 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1k0t s ILE 64 N 0.00 -0.99 -0.88 -1.33 -5.25 -1.26 -4.85 121.20 106.63 1k0t s ILE 64 Ca 0.00 -0.01 0.07 0.00 -0.99 0.00 0.00 60.65 59.72 1k0t s ILE 64 Cb 0.00 -0.91 0.36 0.00 2.95 0.00 0.00 42.46 44.86 1k0t s ILE 64 CO 0.00 -0.01 1.09 0.54 -1.79 0.00 0.00 174.94 174.77 1k0t n ARG 65 N 5.33 2.60 -3.15 0.37 3.00 -1.26 -4.95 116.66 118.58 1k0t n ARG 65 Ca 0.05 -1.38 -0.00 0.00 -0.01 0.00 0.00 57.85 56.51 1k0t n ARG 65 Cb 0.54 -1.75 -0.00 0.00 0.00 0.00 0.00 32.46 31.25 1k0t n ARG 65 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1k0t n VAL 66 N 0.31 -2.75 0.03 1.55 3.14 -1.26 -4.95 118.33 114.40 1k0t n VAL 66 Ca 0.12 0.60 0.00 0.00 -2.96 0.00 0.00 64.34 62.10 1k0t n VAL 66 Cb 0.61 -3.29 0.00 0.00 -1.06 0.00 0.00 33.84 30.10 1k0t n VAL 66 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k0t n TYR 67 N 1.26 -0.48 -1.40 1.45 9.36 -1.26 -4.58 117.16 121.51 1k0t n TYR 67 Ca -0.00 0.08 -0.49 0.00 3.32 0.00 0.00 57.90 60.82 1k0t n TYR 67 Cb 0.46 0.33 -0.13 0.00 -0.63 0.00 0.00 39.34 39.36 1k0t n TYR 67 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1k0t n LEU 68 N -2.93 0.55 -3.38 2.98 7.99 -1.26 -1.79 117.00 119.17 1k0t n LEU 68 Ca 0.00 0.37 -0.31 0.00 -0.01 0.00 0.00 56.01 56.06 1k0t n LEU 68 Cb 0.14 -0.93 0.02 0.00 -0.11 0.00 0.00 43.42 42.54 1k0t n LEU 68 CO 0.00 -0.76 -0.24 0.61 -1.51 0.00 0.00 177.39 175.49 1k0t n GLY 69 N 6.89 -0.27 0.82 -0.72 0.00 -1.26 -4.82 105.19 105.82 1k0t n GLY 69 Ca 0.60 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.50 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 -0.91 0.38 -0.13 4.61 0.00 -0.74 -4.85 120.51 118.87 1k0t n ALA 70 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1k0t n ALA 70 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.91 0.58 -0.10 0.00 4.71 -1.24 -4.32 120.64 118.36 1k0t n GLU 71 Ca 0.00 0.25 0.02 0.00 -0.01 0.00 0.00 57.16 57.43 1k0t n GLU 71 Cb 0.00 -1.48 0.07 0.00 -1.01 0.00 0.00 31.44 29.03 1k0t n GLU 71 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1k0t n THR 72 N -4.26 0.28 -0.08 2.62 -2.24 -1.26 -1.04 114.28 108.30 1k0t n THR 72 Ca -0.51 -0.22 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 1k0t n THR 72 Cb 0.85 -0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 1k0t n THR 72 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1k0t n THR 73 N -0.01 1.28 -0.03 4.28 5.66 -1.26 -3.09 114.28 121.12 1k0t n THR 73 Ca 0.05 -0.82 -0.03 0.00 -3.05 0.00 0.00 64.05 60.21 1k0t n THR 73 Cb 0.19 -0.49 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 1k0t n THR 73 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1k0t n ARG 74 N -2.74 2.80 0.00 1.09 3.00 -1.20 -4.61 116.66 115.01 1k0t n ARG 74 Ca -0.28 0.00 0.09 0.00 -0.01 0.00 0.00 57.85 57.65 1k0t n ARG 74 Cb 1.09 -1.14 -0.03 0.00 0.00 0.00 0.00 32.46 32.37 1k0t n ARG 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1k0t n SER 75 N -2.25 1.49 0.00 0.55 2.88 -0.21 -4.98 113.62 111.10 1k0t n SER 75 Ca -0.09 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 1k0t n SER 75 Cb 0.67 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1k0t n SER 75 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1k0t n MET 76 N -0.47 0.00 0.00 -1.46 1.56 -1.18 -2.09 117.12 113.49 1k0t n MET 76 Ca 0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1k0t n MET 76 Cb 0.35 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.72 1k0t n MET 76 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1k0t n GLY 77 N 0.00 0.30 0.15 -5.12 0.00 -1.26 -4.26 105.19 94.99 1k0t n GLY 77 Ca 0.00 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.47 -0.66 0.99 -0.00 -1.16 -4.31 117.00 114.34 1k0t n LEU 78 Ca 0.00 0.08 0.51 0.00 -0.00 0.00 0.00 56.01 56.60 1k0t n LEU 78 Cb 0.00 -0.84 0.80 0.00 -0.00 0.00 0.00 43.42 43.38 1k0t n LEU 78 CO 0.00 0.76 1.45 0.00 -0.00 0.00 0.00 177.39 179.59 1k0t h ALA 79 N -0.46 3.68 0.00 1.96 0.00 -1.80 -3.52 119.26 119.13 1k0t h ALA 79 Ca -0.62 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1k0t h ALA 79 Cb 1.74 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1k0t h ALA 79 CO -0.24 -2.26 0.00 2.48 0.00 0.00 0.00 179.25 179.23