#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 -0.40 1.11 1.43 4.02 -1.24 -4.56 115.29 115.65 1k0t s HIS 2 Ca 0.00 0.95 -0.14 0.00 1.02 0.00 0.00 55.06 56.89 1k0t s HIS 2 Cb 0.00 0.14 0.25 0.00 -1.02 0.00 0.00 32.58 31.95 1k0t s HIS 2 CO 0.00 -0.20 1.06 -1.54 1.02 0.00 0.00 174.74 175.08 1k0t s SER 3 N 0.40 1.58 -0.32 1.40 1.04 -1.26 -4.07 113.70 112.47 1k0t s SER 3 Ca -0.02 1.17 0.10 0.00 0.48 0.00 0.00 55.95 57.68 1k0t s SER 3 Cb -0.04 -1.81 0.46 0.00 0.10 0.00 0.00 66.02 64.74 1k0t s SER 3 CO -0.02 -3.78 1.15 0.52 0.98 0.00 0.00 173.24 172.09 1k0t n VAL 4 N -4.60 2.20 -0.99 5.02 0.31 -1.26 -4.47 118.33 114.54 1k0t n VAL 4 Ca 0.06 -4.07 -0.36 0.00 -0.01 0.00 0.00 64.34 59.96 1k0t n VAL 4 Cb 0.57 -0.65 0.04 0.00 -0.91 0.00 0.00 33.84 32.90 1k0t n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1k0t n LYS 5 N -0.61 -0.02 -1.44 5.55 5.02 -1.26 -4.55 118.16 120.84 1k0t n LYS 5 Ca 0.35 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 1k0t n LYS 5 Cb 0.87 -1.05 -0.07 0.00 -0.02 0.00 0.00 35.03 34.76 1k0t n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1k0t n ILE 6 N -2.58 1.50 -4.40 -0.18 -0.00 -1.26 -4.82 119.36 107.62 1k0t n ILE 6 Ca -0.01 -1.43 -0.24 0.00 -0.00 0.00 0.00 62.75 61.06 1k0t n ILE 6 Cb 0.56 -2.20 -0.09 0.00 -0.00 0.00 0.00 39.64 37.91 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 8.44 2.48 -0.35 1.39 2.02 -1.26 -5.02 117.35 125.05 1k0t s TYR 7 Ca 0.65 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1k0t s TYR 7 Cb 0.07 -1.28 0.20 0.00 -0.40 0.00 0.00 41.96 40.56 1k0t s TYR 7 CO 0.16 0.59 2.15 -0.40 -1.57 0.00 0.00 175.55 176.47 1k0t n ASP 8 N -0.82 6.52 -4.44 2.29 5.75 -1.26 -4.81 116.55 119.78 1k0t n ASP 8 Ca -0.05 -3.11 -0.44 0.00 -0.01 0.00 0.00 54.79 51.18 1k0t n ASP 8 Cb 0.61 -1.08 -0.03 0.00 -1.03 0.00 0.00 41.12 39.59 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 -2.37 4.65 -0.26 2.12 -1.32 -1.26 -4.94 115.64 112.26 1k0t s THR 9 Ca 0.37 -1.21 -0.21 0.00 -1.21 0.00 0.00 61.69 59.43 1k0t s THR 9 Cb 0.28 -4.72 0.07 0.00 -1.51 0.00 0.00 72.50 66.62 1k0t s THR 9 CO -0.04 -1.45 0.68 0.00 -2.21 0.00 0.00 174.62 171.61 1k0t n ILE 11 N 3.29 0.20 0.00 0.00 -6.64 -1.26 -5.00 119.36 109.95 1k0t n ILE 11 Ca -0.16 -0.12 0.00 0.00 -1.77 0.00 0.00 62.75 60.70 1k0t n ILE 11 Cb 0.56 -0.88 0.00 0.00 -1.44 0.00 0.00 39.64 37.89 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 2.89 0.56 3.93 3.28 0.00 -1.26 -5.10 105.19 109.49 1k0t n GLY 12 Ca -0.05 0.00 -0.23 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 -1.82 3.53 -3.75 0.00 -2.24 -1.26 -4.97 114.28 103.76 1k0t n THR 14 Ca 0.04 -5.54 -0.13 0.00 -2.27 0.00 0.00 64.05 56.15 1k0t n THR 14 Cb 0.63 -1.83 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 1k0t n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t s GLN 15 N -3.04 0.53 0.00 -0.78 -2.07 -1.26 -4.85 119.66 108.19 1k0t s GLN 15 Ca 0.41 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 1k0t s GLN 15 Cb 0.17 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1k0t s GLN 15 CO -0.04 -0.11 0.00 0.00 -1.32 0.00 0.00 175.29 173.82 1k0t n VAL 17 N 0.00 0.42 0.03 0.00 0.31 -1.26 -4.05 118.33 113.77 1k0t n VAL 17 Ca 0.00 -0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1k0t n VAL 17 Cb 0.00 0.12 -0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.28 0.01 -2.04 5.55 3.00 -1.26 -4.92 116.66 117.27 1k0t n ARG 18 Ca 0.09 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.63 1k0t n ARG 18 Cb 0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 32.46 32.16 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 -2.01 1.80 0.00 7.54 0.00 -1.26 -4.72 121.76 123.11 1k0t s ALA 19 Ca -0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1k0t s ALA 19 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1k0t s ALA 19 CO 0.01 -4.57 0.00 0.00 0.00 0.00 0.00 175.76 171.20 1k0t h PRO 21 N 0.00 -0.13 -0.56 0.00 0.13 -1.86 -3.15 132.00 126.42 1k0t h PRO 21 Ca 0.00 0.01 0.16 0.00 -0.87 0.00 0.00 66.00 65.30 1k0t h PRO 21 Cb 0.00 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1k0t h PRO 21 CO 0.00 0.37 0.72 -0.07 -0.23 0.00 0.00 178.00 178.79 1k0t h LEU 22 N -0.88 0.00 -2.48 1.56 3.38 -1.98 -3.45 115.31 111.46 1k0t h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k0t h LEU 22 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1k0t h LEU 22 CO 0.02 0.00 -0.13 -0.67 0.09 0.00 0.00 178.44 177.76 1k0t n ASP 23 N -3.41 -6.58 -0.01 -0.43 2.03 -1.19 -4.84 116.55 102.11 1k0t n ASP 23 Ca 0.11 0.10 -0.02 0.00 0.52 0.00 0.00 54.79 55.51 1k0t n ASP 23 Cb 0.92 -4.40 -0.01 0.00 -0.72 0.00 0.00 41.12 36.91 1k0t n ASP 23 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1k0t n VAL 24 N -1.19 0.15 -1.92 5.18 3.14 -1.26 -4.92 118.33 117.50 1k0t n VAL 24 Ca 0.03 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 60.93 1k0t n VAL 24 Cb 0.45 -0.70 -0.03 0.00 -1.06 0.00 0.00 33.84 32.51 1k0t n VAL 24 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1k0t s LEU 25 N -4.85 3.46 0.00 6.55 1.02 -1.26 -4.56 118.68 119.04 1k0t s LEU 25 Ca -0.03 1.24 0.00 0.00 0.02 0.00 0.00 54.13 55.37 1k0t s LEU 25 Cb 0.01 -3.31 0.00 0.00 0.02 0.00 0.00 46.19 42.91 1k0t s LEU 25 CO 0.07 -1.92 0.00 -0.62 0.02 0.00 0.00 176.35 173.90 1k0t n GLU 26 N 8.62 0.97 -3.19 1.70 1.02 -1.04 -4.89 120.64 123.82 1k0t n GLU 26 Ca 0.24 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 57.00 1k0t n GLU 26 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.84 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 -1.21 4.31 0.45 3.49 0.23 -1.26 0.19 119.30 125.51 1k0t s MET 27 Ca 0.00 0.78 0.04 0.00 -1.03 0.00 0.00 55.69 55.48 1k0t s MET 27 Cb 0.00 -3.32 -0.05 0.00 -1.53 0.00 0.00 34.83 29.93 1k0t s MET 27 CO 0.00 0.43 0.01 0.14 -2.03 0.00 0.00 175.02 173.57 1k0t s VAL 28 N -0.41 1.57 -0.35 5.16 -7.23 0.68 -4.67 120.40 115.14 1k0t s VAL 28 Ca 0.31 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1k0t s VAL 28 Cb -0.19 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1k0t s VAL 28 CO 0.18 0.00 1.38 -2.16 -0.31 0.00 0.00 175.10 174.19 1k0t s PRO 29 N -3.79 3.74 0.34 4.82 0.04 -1.26 -2.10 135.00 136.79 1k0t s PRO 29 Ca 0.23 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.43 1k0t s PRO 29 Cb 0.06 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.61 1k0t s PRO 29 CO 0.12 -1.35 0.17 -0.46 0.04 0.00 0.00 177.00 175.51 1k0t s TRP 30 N 4.94 1.69 -0.38 0.56 -0.00 -0.13 -4.75 118.94 120.88 1k0t s TRP 30 Ca 0.60 -1.38 0.11 0.00 -0.00 0.00 0.00 56.10 55.43 1k0t s TRP 30 Cb -0.16 -0.94 0.34 0.00 -0.00 0.00 0.00 33.47 32.72 1k0t s TRP 30 CO 0.28 -0.49 0.78 -3.47 -0.00 0.00 0.00 176.95 174.05 1k0t n ASP 31 N -1.14 0.35 0.00 5.86 2.03 -1.26 -3.82 116.55 118.57 1k0t n ASP 31 Ca -0.00 -3.11 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1k0t n ASP 31 Cb 0.64 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.32 0.11 3.71 0.27 0.00 -1.26 -5.02 105.19 103.32 1k0t n GLY 32 Ca 0.22 -0.06 -0.29 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 -1.77 0.00 -0.13 0.00 3.64 -2.00 -1.14 116.57 115.16 1k0t h LYS 34 Ca -0.53 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 1k0t h LYS 34 Cb 1.33 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1k0t h LYS 34 CO 0.59 0.10 -0.24 0.00 -2.27 0.00 0.00 179.45 177.63 1k0t n ALA 35 N -2.33 3.60 -4.27 5.00 0.00 -1.26 -4.96 120.51 116.29 1k0t n ALA 35 Ca -0.02 -3.07 -0.30 0.00 0.00 0.00 0.00 53.44 50.05 1k0t n ALA 35 Cb 0.20 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.13 -0.12 3.12 0.00 0.00 -0.43 -4.88 105.19 101.75 1k0t n GLY 36 Ca 0.23 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -7.26 0.23 -0.04 1.61 1.03 -1.25 -0.96 119.66 113.02 1k0t s GLN 37 Ca 0.01 0.87 -0.14 0.00 0.04 0.00 0.00 55.36 56.14 1k0t s GLN 37 Cb -0.00 0.12 -0.05 0.00 0.03 0.00 0.00 33.01 33.10 1k0t s GLN 37 CO 0.97 -0.28 0.36 -1.50 -2.54 0.00 0.00 175.29 172.31 1k0t s ILE 38 N 2.51 5.13 -0.59 3.63 1.10 -0.89 -4.68 121.20 127.40 1k0t s ILE 38 Ca 0.00 0.73 -0.27 0.00 -0.51 0.00 0.00 60.65 60.60 1k0t s ILE 38 Cb -0.12 -3.67 -0.01 0.00 0.15 0.00 0.00 42.46 38.81 1k0t s ILE 38 CO -0.10 0.56 1.72 0.00 -2.11 0.00 0.00 174.94 175.00 1k0t s ALA 39 N -0.84 2.41 0.31 1.50 0.00 -1.26 -0.23 121.76 123.64 1k0t s ALA 39 Ca 0.22 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 1k0t s ALA 39 Cb -0.16 -4.24 0.06 0.00 0.00 0.00 0.00 23.12 18.79 1k0t s ALA 39 CO 0.11 -3.54 0.86 -1.12 0.00 0.00 0.00 175.76 172.06 1k0t s SER 40 N 6.85 -0.03 -0.06 0.00 0.01 0.50 -4.88 113.70 116.10 1k0t s SER 40 Ca 0.63 -0.94 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 1k0t s SER 40 Cb -0.13 0.73 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 1k0t s SER 40 CO 0.22 -1.44 1.63 -0.44 0.41 0.00 0.00 173.24 173.62 1k0t s SER 41 N -3.13 6.68 -0.08 2.44 0.01 -1.26 -2.51 113.70 115.85 1k0t s SER 41 Ca 0.16 2.21 -0.25 0.00 1.31 0.00 0.00 55.95 59.38 1k0t s SER 41 Cb -0.04 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.44 1k0t s SER 41 CO 0.09 -0.91 0.93 1.55 0.41 0.00 0.00 173.24 175.31 1k0t h PRO 42 N 9.40 -0.04 0.00 12.44 0.13 -1.83 -3.41 132.00 148.68 1k0t h PRO 42 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1k0t h PRO 42 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1k0t h PRO 42 CO 0.95 0.62 -0.07 0.54 -0.23 0.00 0.00 178.00 179.82 1k0t n ARG 43 N -4.77 0.00 -1.45 0.86 1.74 -1.26 -4.98 116.66 106.80 1k0t n ARG 43 Ca -0.09 -0.57 -0.04 0.00 -0.77 0.00 0.00 57.85 56.38 1k0t n ARG 43 Cb 0.34 -0.50 -0.02 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.05 -0.35 0.55 -1.04 -1.26 -4.68 114.28 107.44 1k0t n THR 44 Ca 0.00 0.00 0.36 0.00 -2.04 0.00 0.00 64.05 62.37 1k0t n THR 44 Cb 0.53 -0.48 0.75 0.00 -1.82 0.00 0.00 70.33 69.31 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 0.01 0.00 -2.82 4.11 -1.94 -3.40 114.58 110.55 1k0t h GLU 45 Ca -0.10 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.33 1k0t h GLU 45 Cb 0.48 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1k0t h GLU 45 CO 0.13 0.01 0.00 -0.25 0.07 0.00 0.00 179.01 178.97 1k0t n ASP 46 N -4.18 0.90 -0.40 3.06 8.00 -1.26 -5.05 116.55 117.61 1k0t n ASP 46 Ca 0.27 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1k0t n ASP 46 Cb 1.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.39 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 -0.17 0.32 0.00 0.00 3.14 -1.26 -5.02 118.33 115.33 1k0t n VAL 48 Ca 0.00 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1k0t n VAL 48 Cb 0.00 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 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 2.89 -0.50 3.62 7.55 0.00 -1.26 -5.16 105.19 112.33 1k0t n GLY 49 Ca -0.08 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.97 3.76 -0.47 0.00 2.20 -1.26 -4.70 119.74 118.30 1k0t s LYS 51 Ca 0.14 -1.92 0.06 0.00 -0.36 0.00 0.00 55.97 53.89 1k0t s LYS 51 Cb -0.11 -5.05 0.29 0.00 -1.51 0.00 0.00 37.83 31.45 1k0t s LYS 51 CO 0.03 -1.85 1.03 -2.13 -0.36 0.00 0.00 175.35 172.06 1k0t n ARG 52 N 6.70 0.92 0.00 4.03 3.00 -1.26 -4.96 116.66 125.09 1k0t n ARG 52 Ca 0.30 -1.85 0.00 0.00 -0.00 0.00 0.00 57.85 56.30 1k0t n ARG 52 Cb 0.47 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.72 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 5.30 -1.42 0.00 0.28 -1.26 -4.19 120.64 119.35 1k0t n GLU 54 Ca 0.00 -4.45 -0.03 0.00 -0.16 0.00 0.00 57.16 52.52 1k0t n GLU 54 Cb 0.00 -2.50 0.01 0.00 1.43 0.00 0.00 31.44 30.38 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 0.27 0.00 -0.31 3.84 5.66 -1.26 -3.46 114.28 119.02 1k0t n THR 55 Ca 0.50 -0.27 0.13 0.00 -3.05 0.00 0.00 64.05 61.36 1k0t n THR 55 Cb 0.26 0.53 0.27 0.00 -1.55 0.00 0.00 70.33 69.83 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 0.27 1.14 -1.41 1.79 0.00 -1.77 -3.36 119.26 115.91 1k0t h ALA 56 Ca -0.33 0.29 0.33 0.00 0.00 0.00 0.00 54.91 55.20 1k0t h ALA 56 Cb 1.12 0.48 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 1k0t h ALA 56 CO -0.16 -0.52 0.84 0.00 0.00 0.00 0.00 179.25 179.41 1k0t n PRO 58 N -0.49 0.00 0.00 0.00 -0.04 -1.26 -4.88 135.00 128.33 1k0t n PRO 58 Ca -0.09 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1k0t n PRO 58 Cb 0.63 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.26 0.00 0.00 0.52 -2.24 -1.26 -4.69 114.28 105.35 1k0t n THR 59 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k0t n THR 59 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1k0t n THR 59 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1k0t n ASP 60 N 0.00 0.00 0.01 3.42 -0.08 -1.26 -4.10 116.55 114.54 1k0t n ASP 60 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1k0t n ASP 60 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1k0t n ASP 60 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1k0t n PHE 61 N 0.00 -0.00 -1.51 -0.67 3.72 -1.26 -4.97 117.46 112.77 1k0t n PHE 61 Ca 0.00 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1k0t n PHE 61 Cb 0.00 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.38 1k0t n PHE 61 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1k0t n LEU 62 N -3.09 -0.04 0.00 4.37 7.94 -1.26 -3.03 117.00 121.89 1k0t n LEU 62 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1k0t n LEU 62 Cb 0.41 -0.89 0.00 0.00 0.53 0.00 0.00 43.42 43.47 1k0t n LEU 62 CO 0.00 -1.15 0.00 -0.24 -1.11 0.00 0.00 177.39 174.89 1k0t n SER 63 N 9.77 0.00 0.00 1.96 2.88 -1.26 -4.86 113.62 122.11 1k0t n SER 63 Ca 0.63 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1k0t n SER 63 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 -0.50 0.00 -4.44 2.46 5.41 -1.17 -4.81 119.36 116.32 1k0t n ILE 64 Ca 0.00 1.11 -0.25 0.00 1.00 0.00 0.00 62.75 64.61 1k0t n ILE 64 Cb 0.00 -1.91 -0.11 0.00 -0.71 0.00 0.00 39.64 36.91 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 -1.44 1.65 -0.25 0.38 0.52 -1.26 -5.14 118.95 113.41 1k0t s ARG 65 Ca 0.00 -1.65 -0.13 0.00 -0.52 0.00 0.00 55.73 53.43 1k0t s ARG 65 Cb 0.00 -1.82 0.09 0.00 0.52 0.00 0.00 34.95 33.73 1k0t s ARG 65 CO 0.00 0.36 0.60 0.08 0.02 0.00 0.00 175.30 176.36 1k0t s VAL 66 N -2.16 -0.25 -0.02 3.52 1.01 -1.26 -4.75 120.40 116.49 1k0t s VAL 66 Ca 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 1k0t s VAL 66 Cb -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1k0t s VAL 66 CO 0.13 0.01 -0.08 -1.22 0.00 0.00 0.00 175.10 173.94 1k0t n TYR 67 N 4.61 0.00 -1.45 5.22 4.02 -1.26 -4.77 117.16 123.53 1k0t n TYR 67 Ca -0.18 0.00 -0.44 0.00 -0.01 0.00 0.00 57.90 57.27 1k0t n TYR 67 Cb 0.56 -0.18 -0.14 0.00 -0.02 0.00 0.00 39.34 39.55 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 -3.47 0.36 -1.49 7.72 7.99 -1.26 0.37 117.00 127.22 1k0t n LEU 68 Ca -0.09 0.26 -0.01 0.00 -0.01 0.00 0.00 56.01 56.16 1k0t n LEU 68 Cb 0.39 -0.91 0.01 0.00 -0.11 0.00 0.00 43.42 42.80 1k0t n LEU 68 CO 0.02 -0.72 0.00 0.61 -1.51 0.00 0.00 177.39 175.80 1k0t n GLY 69 N 6.60 0.65 0.41 -0.72 0.00 -1.26 -3.73 105.19 107.13 1k0t n GLY 69 Ca 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.50 0.00 -0.32 4.61 0.00 0.16 -4.94 120.51 118.51 1k0t n ALA 70 Ca -0.01 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.64 1k0t n ALA 70 Cb 0.51 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.38 1k0t n ALA 70 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1k0t h GLU 71 N 0.00 0.22 -7.03 0.00 5.08 -1.80 -3.44 114.58 107.60 1k0t h GLU 71 Ca 0.00 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.74 1k0t h GLU 71 Cb 0.00 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 29.01 1k0t h GLU 71 CO 0.00 0.14 -0.95 0.25 -1.00 0.00 0.00 179.01 177.46 1k0t n THR 72 N -5.16 -1.05 0.08 1.13 -2.24 -1.26 -4.80 114.28 100.97 1k0t n THR 72 Ca 0.29 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1k0t n THR 72 Cb 0.92 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1k0t n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k0t h THR 73 N -1.76 1.51 0.00 4.28 1.03 -1.97 1.11 112.91 117.11 1k0t h THR 73 Ca -0.65 -2.72 0.00 0.00 -0.01 0.00 0.00 66.41 63.03 1k0t h THR 73 Cb 1.36 2.55 0.00 0.00 -1.07 0.00 0.00 68.15 70.99 1k0t h THR 73 CO 0.68 0.79 -0.71 0.08 -0.01 0.00 0.00 175.52 176.35 1k0t h ARG 74 N 0.10 0.00 -0.15 0.00 -0.00 -1.91 -3.30 114.38 109.12 1k0t h ARG 74 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1k0t h ARG 74 Cb 1.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.55 1k0t h ARG 74 CO 0.14 0.00 0.00 0.45 -0.00 0.00 0.00 179.97 180.56 1k0t n SER 75 N -2.60 2.35 -0.32 0.08 2.88 -1.20 0.18 113.62 114.99 1k0t n SER 75 Ca 0.02 -1.92 -0.06 0.00 -1.33 0.00 0.00 58.87 55.58 1k0t n SER 75 Cb 0.52 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.83 1k0t n SER 75 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1k0t n MET 76 N 0.03 -0.29 0.00 -1.46 2.81 0.38 -4.72 117.12 113.87 1k0t n MET 76 Ca 0.05 1.19 0.00 0.00 -1.81 0.00 0.00 57.70 57.14 1k0t n MET 76 Cb 0.32 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.25 0.02 0.47 3.03 0.00 -1.26 -4.99 105.19 101.20 1k0t n GLY 77 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.51 1.34 -0.61 0.99 -0.00 -1.26 -4.50 117.00 112.45 1k0t n LEU 78 Ca 0.00 0.14 0.48 0.00 -0.00 0.00 0.00 56.01 56.63 1k0t n LEU 78 Cb 0.00 -0.44 0.79 0.00 -0.00 0.00 0.00 43.42 43.77 1k0t n LEU 78 CO 0.00 0.37 1.42 0.00 -0.00 0.00 0.00 177.39 179.19 1k0t h ALA 79 N -0.45 3.56 0.00 1.96 0.00 -1.83 -3.49 119.26 119.01 1k0t h ALA 79 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k0t h ALA 79 Cb 1.35 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1k0t h ALA 79 CO -0.20 -2.11 0.00 2.48 0.00 0.00 0.00 179.25 179.42