#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msm s GLN 2 N 0.00 3.06 -0.18 -0.52 0.74 -1.26 -5.11 119.66 116.39 1msm s GLN 2 Ca 0.00 -0.79 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 1msm s GLN 2 Cb 0.00 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 1msm s GLN 2 CO 0.00 -0.20 -0.00 0.42 -0.55 0.00 0.00 175.29 174.95 1msm s ILE 3 N 1.32 4.07 0.72 -2.34 -1.09 -1.26 -5.10 121.20 117.51 1msm s ILE 3 Ca 0.05 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1msm s ILE 3 Cb -0.13 -2.82 0.07 0.00 -1.58 0.00 0.00 42.46 38.00 1msm s ILE 3 CO -0.11 0.46 1.03 0.42 -1.23 0.00 0.00 174.94 175.51 1msm s THR 4 N 0.65 2.25 -0.19 2.92 -4.23 -1.26 -5.03 115.64 110.75 1msm s THR 4 Ca -0.01 -0.26 0.15 0.00 -1.18 0.00 0.00 61.69 60.39 1msm s THR 4 Cb -0.14 -2.98 0.39 0.00 1.34 0.00 0.00 72.50 71.11 1msm s THR 4 CO 0.02 0.00 1.25 0.18 -0.54 0.00 0.00 174.62 175.53 1msm n LEU 5 N -2.97 2.92 0.22 4.79 4.77 -1.26 -4.65 117.00 120.82 1msm n LEU 5 Ca 0.09 -3.44 0.09 0.00 -0.03 0.00 0.00 56.01 52.71 1msm n LEU 5 Cb 0.60 -0.51 0.48 0.00 -2.33 0.00 0.00 43.42 41.67 1msm n LEU 5 CO 0.52 1.01 0.80 -0.50 -1.33 0.00 0.00 177.39 177.88 1msm h TRP 6 N 0.70 0.00 -2.93 -1.77 4.06 -2.06 -3.44 115.95 110.51 1msm h TRP 6 Ca 0.03 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.53 1msm h TRP 6 Cb 1.15 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.17 1msm h TRP 6 CO 0.45 0.26 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.35 1msm s LYS 7 N -3.83 1.49 0.28 0.49 -2.85 -1.26 -5.10 119.74 108.96 1msm s LYS 7 Ca -0.01 -1.77 -0.30 0.00 -1.00 0.00 0.00 55.97 52.89 1msm s LYS 7 Cb 0.12 -0.90 -0.11 0.00 -2.06 0.00 0.00 37.83 34.87 1msm s LYS 7 CO 0.65 -0.06 1.60 1.03 0.10 0.00 0.00 175.35 178.67 1msm s ARG 8 N -3.81 4.13 -1.14 1.78 0.52 -1.26 -4.84 118.95 114.32 1msm s ARG 8 Ca 0.30 2.56 -0.18 0.00 -0.52 0.00 0.00 55.73 57.90 1msm s ARG 8 Cb 0.06 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.44 1msm s ARG 8 CO 0.11 -0.63 2.06 -0.35 0.02 0.00 0.00 175.30 176.51 1msm n PRO 9 N 2.37 2.24 -3.15 3.54 -0.04 -1.26 -4.92 135.00 133.77 1msm n PRO 9 Ca 0.09 -2.31 -0.39 0.00 -0.04 0.00 0.00 63.50 60.85 1msm n PRO 9 Cb 0.37 -3.16 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 1msm n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1msm s LEU 10 N 2.28 4.45 0.23 1.53 1.43 -1.26 -1.64 118.68 125.71 1msm s LEU 10 Ca 0.53 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 1msm s LEU 10 Cb 0.13 -3.01 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1msm s LEU 10 CO 0.02 0.12 0.07 0.68 0.23 0.00 0.00 176.35 177.46 1msm s VAL 11 N -0.36 0.62 -0.18 -1.59 -7.23 0.96 -4.94 120.40 107.68 1msm s VAL 11 Ca 0.33 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1msm s VAL 11 Cb -0.19 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 1msm s VAL 11 CO 0.19 -0.14 0.20 -0.89 -0.31 0.00 0.00 175.10 174.15 1msm s THR 12 N -3.71 5.37 0.36 5.32 2.01 -1.26 -0.34 115.64 123.39 1msm s THR 12 Ca 0.34 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.76 1msm s THR 12 Cb 0.07 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.97 1msm s THR 12 CO 0.11 0.42 -0.06 0.27 -0.69 0.00 0.00 174.62 174.67 1msm s ILE 13 N 0.41 2.07 -0.08 1.82 -4.36 0.83 -1.46 121.20 120.43 1msm s ILE 13 Ca 0.12 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1msm s ILE 13 Cb -0.12 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.88 1msm s ILE 13 CO 0.00 -0.14 -0.06 -0.75 0.24 0.00 0.00 174.94 174.23 1msm s LYS 14 N -3.66 1.24 -0.08 0.37 2.20 0.08 -1.28 119.74 118.60 1msm s LYS 14 Ca 0.33 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1msm s LYS 14 Cb 0.05 -1.29 0.03 0.00 -1.51 0.00 0.00 37.83 35.11 1msm s LYS 14 CO 0.16 -0.19 0.21 -1.50 -0.36 0.00 0.00 175.35 173.67 1msm s ILE 15 N 1.44 -0.02 -1.29 5.43 -1.16 -0.66 -1.04 121.20 123.89 1msm s ILE 15 Ca -0.01 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.22 1msm s ILE 15 Cb -0.13 -0.31 0.00 0.00 0.61 0.00 0.00 42.46 42.62 1msm s ILE 15 CO -0.04 0.04 0.00 0.61 -2.81 0.00 0.00 174.94 172.74 1msm n GLY 16 N 3.69 0.59 2.33 1.50 0.00 -1.26 -1.85 105.19 110.19 1msm n GLY 16 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1msm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msm n GLY 17 N -1.17 0.38 3.26 -0.02 0.00 -1.26 -5.01 105.19 101.37 1msm n GLY 17 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 1msm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1msm s GLN 18 N -0.53 1.66 0.22 1.61 -1.52 -0.77 -5.12 119.66 115.21 1msm s GLN 18 Ca 0.00 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.24 1msm s GLN 18 Cb 0.00 -1.68 -0.09 0.00 -0.22 0.00 0.00 33.01 31.02 1msm s GLN 18 CO 0.00 0.45 0.92 -0.51 -0.25 0.00 0.00 175.29 175.90 1msm s LEU 19 N -0.81 4.63 0.03 2.90 1.02 -1.26 -1.65 118.68 123.54 1msm s LEU 19 Ca 0.09 1.90 -0.14 0.00 0.02 0.00 0.00 54.13 55.99 1msm s LEU 19 Cb -0.09 -3.56 0.02 0.00 0.02 0.00 0.00 46.19 42.58 1msm s LEU 19 CO 0.00 0.15 0.31 -0.54 0.02 0.00 0.00 176.35 176.30 1msm s LYS 20 N -1.10 0.80 0.08 1.70 1.02 -0.40 -4.98 119.74 116.85 1msm s LYS 20 Ca 0.41 -0.45 -0.19 0.00 0.02 0.00 0.00 55.97 55.76 1msm s LYS 20 Cb -0.25 0.35 -0.07 0.00 -0.52 0.00 0.00 37.83 37.34 1msm s LYS 20 CO 0.31 -0.25 0.56 -2.00 -0.92 0.00 0.00 175.35 173.05 1msm s GLU 21 N -2.35 4.16 0.08 1.68 2.12 -1.26 -0.12 118.70 123.01 1msm s GLU 21 Ca -0.06 0.69 -0.07 0.00 0.36 0.00 0.00 54.97 55.89 1msm s GLU 21 Cb -0.02 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1msm s GLU 21 CO -0.02 0.63 0.15 0.00 -0.54 0.00 0.00 175.26 175.48 1msm s ALA 22 N -1.15 -0.08 -0.19 6.30 0.00 0.54 -4.35 121.76 122.84 1msm s ALA 22 Ca 0.30 -0.73 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 1msm s ALA 22 Cb -0.19 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1msm s ALA 22 CO 0.19 -0.49 0.04 -1.17 0.00 0.00 0.00 175.76 174.32 1msm s LEU 23 N -2.88 3.57 -0.53 0.00 2.96 0.64 -0.03 118.68 122.42 1msm s LEU 23 Ca 0.06 -0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.64 1msm s LEU 23 Cb 0.05 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.86 1msm s LEU 23 CO -0.10 0.12 1.31 -0.76 -1.32 0.00 0.00 176.35 175.60 1msm s LEU 24 N 0.66 3.48 -0.38 -0.68 1.43 -0.65 -0.44 118.68 122.10 1msm s LEU 24 Ca 0.02 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1msm s LEU 24 Cb -0.14 -3.25 0.11 0.00 0.03 0.00 0.00 46.19 42.94 1msm s LEU 24 CO 0.02 -1.53 0.15 -0.62 0.23 0.00 0.00 176.35 174.60 1msm s ASP 25 N 3.63 5.07 0.13 2.29 -1.08 -0.49 -4.79 116.67 121.43 1msm s ASP 25 Ca 0.51 -2.08 0.22 0.00 -0.52 0.00 0.00 52.55 50.68 1msm s ASP 25 Cb -0.10 -1.75 0.87 0.00 -1.46 0.00 0.00 42.92 40.48 1msm s ASP 25 CO 0.28 -0.48 1.67 0.35 0.52 0.00 0.00 175.17 177.51 1msm n THR 26 N 4.46 0.73 1.29 1.71 -2.24 -1.26 -2.46 114.28 116.51 1msm n THR 26 Ca 0.00 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 1msm n THR 26 Cb 0.42 -0.92 0.44 0.00 -2.10 0.00 0.00 70.33 68.16 1msm n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1msm n GLY 27 N 0.42 -0.67 3.62 3.38 0.00 -1.26 -4.81 105.19 105.87 1msm n GLY 27 Ca 0.04 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1msm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msm s ALA 28 N -2.48 3.37 0.21 4.61 0.00 -1.03 -4.98 121.76 121.46 1msm s ALA 28 Ca 0.26 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1msm s ALA 28 Cb 0.19 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 21.59 1msm s ALA 28 CO 0.50 0.16 1.50 -0.44 0.00 0.00 0.00 175.76 177.49 1msm h ASP 29 N 6.73 0.24 -1.37 0.00 3.32 -1.87 -0.18 116.42 123.29 1msm h ASP 29 Ca -0.36 -0.16 -0.62 0.00 0.02 0.00 0.00 57.03 55.91 1msm h ASP 29 Cb 1.17 -0.07 -0.12 0.00 0.22 0.00 0.00 39.33 40.53 1msm h ASP 29 CO 0.69 0.86 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.72 1msm s ASP 30 N -6.90 4.08 -0.26 6.45 1.01 -1.26 -2.77 116.67 117.01 1msm s ASP 30 Ca -0.03 -1.35 -0.10 0.00 0.71 0.00 0.00 52.55 51.78 1msm s ASP 30 Cb 0.11 -0.23 -0.04 0.00 1.01 0.00 0.00 42.92 43.77 1msm s ASP 30 CO 0.80 -0.57 0.15 -0.89 0.21 0.00 0.00 175.17 174.88 1msm s THR 31 N -2.72 5.07 -0.14 -1.27 2.01 -1.26 -2.77 115.64 114.56 1msm s THR 31 Ca 0.31 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1msm s THR 31 Cb 0.07 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.20 1msm s THR 31 CO 0.17 0.30 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.48 1msm s VAL 32 N 1.55 2.08 0.13 3.82 1.01 -0.10 -0.57 120.40 128.31 1msm s VAL 32 Ca 0.07 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1msm s VAL 32 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1msm s VAL 32 CO 0.08 0.55 -0.23 -0.63 0.00 0.00 0.00 175.10 174.87 1msm s ILE 33 N 0.85 2.53 0.69 2.22 1.01 0.44 0.31 121.20 129.25 1msm s ILE 33 Ca -0.06 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 1msm s ILE 33 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1msm s ILE 33 CO -0.03 0.08 1.17 -1.61 0.00 0.00 0.00 174.94 174.55 1msm s GLU 34 N -2.15 2.50 -0.23 2.79 2.02 -1.26 -2.72 118.70 119.64 1msm s GLU 34 Ca 0.16 1.62 -0.43 0.00 0.02 0.00 0.00 54.97 56.34 1msm s GLU 34 Cb -0.10 -1.89 -0.20 0.00 0.10 0.00 0.00 34.13 32.04 1msm s GLU 34 CO 0.08 -1.53 1.34 -1.91 0.02 0.00 0.00 175.26 173.26 1msm n GLU 35 N -2.46 0.08 -3.84 1.61 4.07 -1.26 -4.83 120.64 114.01 1msm n GLU 35 Ca 0.12 0.03 -0.06 0.00 -0.06 0.00 0.00 57.16 57.18 1msm n GLU 35 Cb 0.51 -1.54 0.02 0.00 -0.06 0.00 0.00 31.44 30.37 1msm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1msm s MET 36 N 1.49 1.85 -0.38 5.31 0.23 -1.26 -5.11 119.30 121.44 1msm s MET 36 Ca 0.97 -1.19 -0.15 0.00 -1.03 0.00 0.00 55.69 54.30 1msm s MET 36 Cb -1.36 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 32.47 1msm s MET 36 CO 0.68 -0.87 0.32 0.45 -2.03 0.00 0.00 175.02 173.57 1msm s SER 37 N -3.19 6.12 0.07 -1.18 0.15 -1.26 -5.08 113.70 109.34 1msm s SER 37 Ca 0.18 -0.57 0.06 0.00 0.70 0.00 0.00 55.95 56.32 1msm s SER 37 Cb -0.04 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1msm s SER 37 CO 0.09 -0.38 -0.11 -0.76 1.20 0.00 0.00 173.24 173.27 1msm s LEU 38 N 1.84 2.97 0.71 3.45 1.43 -1.26 -4.94 118.68 122.88 1msm s LEU 38 Ca 0.08 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1msm s LEU 38 Cb -0.18 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1msm s LEU 38 CO 0.11 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 1msm s PRO 39 N -1.92 2.75 0.28 1.29 0.04 -1.26 -4.97 135.00 131.22 1msm s PRO 39 Ca 0.19 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.62 1msm s PRO 39 Cb -0.11 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1msm s PRO 39 CO 0.11 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1msm n GLY 40 N -3.02 -2.42 3.91 0.56 0.00 -1.26 -4.95 105.19 98.01 1msm n GLY 40 Ca 0.07 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 1msm n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1msm s ARG 41 N -0.66 3.57 0.21 1.61 0.52 -1.26 -5.10 118.95 117.84 1msm s ARG 41 Ca 0.00 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.36 1msm s ARG 41 Cb 0.00 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 1msm s ARG 41 CO 0.00 -0.04 -0.09 1.67 0.02 0.00 0.00 175.30 176.86 1msm s TRP 42 N -2.49 1.66 0.14 -0.53 1.48 -1.26 -4.62 118.94 113.32 1msm s TRP 42 Ca 0.46 -0.69 0.04 0.00 -1.06 0.00 0.00 56.10 54.85 1msm s TRP 42 Cb -0.10 -0.85 -0.04 0.00 -1.16 0.00 0.00 33.47 31.31 1msm s TRP 42 CO 0.39 0.23 -0.10 -1.59 -4.06 0.00 0.00 176.95 171.81 1msm s LYS 43 N -3.72 1.05 0.51 3.25 -2.85 -0.58 -4.90 119.74 112.50 1msm s LYS 43 Ca 0.24 -1.44 -0.22 0.00 -1.00 0.00 0.00 55.97 53.55 1msm s LYS 43 Cb 0.02 -0.61 -0.06 0.00 -2.06 0.00 0.00 37.83 35.12 1msm s LYS 43 CO 0.07 0.07 1.24 -1.25 0.10 0.00 0.00 175.35 175.58 1msm s PRO 44 N -3.72 3.40 -0.24 1.78 0.04 -1.26 -1.09 135.00 133.90 1msm s PRO 44 Ca 0.16 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 1msm s PRO 44 Cb 0.02 -2.26 0.07 0.00 0.04 0.00 0.00 34.50 32.37 1msm s PRO 44 CO 0.00 -0.90 0.61 0.21 0.04 0.00 0.00 177.00 176.96 1msm s LYS 45 N -2.89 0.66 -0.16 4.56 2.47 -1.14 -4.83 119.74 118.41 1msm s LYS 45 Ca 0.69 0.98 -0.03 0.00 -1.56 0.00 0.00 55.97 56.05 1msm s LYS 45 Cb -0.33 0.21 -0.02 0.00 -1.46 0.00 0.00 37.83 36.23 1msm s LYS 45 CO 0.39 -0.12 -0.07 -1.64 0.16 0.00 0.00 175.35 174.07 1msm s MET 46 N 0.99 3.53 0.04 4.03 -1.94 -1.26 -1.12 119.30 123.57 1msm s MET 46 Ca -0.05 -0.59 0.07 0.00 -1.71 0.00 0.00 55.69 53.41 1msm s MET 46 Cb -0.05 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 1msm s MET 46 CO -0.09 0.14 -0.21 0.96 -0.01 0.00 0.00 175.02 175.81 1msm s ILE 47 N 0.59 1.71 -0.28 2.53 -4.36 -0.77 -4.95 121.20 115.67 1msm s ILE 47 Ca -0.04 -1.17 -0.08 0.00 -0.26 0.00 0.00 60.65 59.09 1msm s ILE 47 Cb -0.15 -1.47 -0.01 0.00 1.25 0.00 0.00 42.46 42.08 1msm s ILE 47 CO 0.03 0.25 0.10 -0.83 0.24 0.00 0.00 174.94 174.74 1msm s GLY 48 N -1.09 1.81 0.00 6.27 0.00 -1.26 -1.58 107.32 111.47 1msm s GLY 48 Ca 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1msm s GLY 48 CO 0.01 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1msm n GLY 49 N 4.94 3.46 0.27 0.20 0.00 0.02 -4.95 105.19 109.13 1msm n GLY 49 Ca -0.15 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.79 1msm n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1msm h ILE 50 N 0.24 1.13 -0.01 -0.61 6.09 -2.01 -2.76 117.51 119.58 1msm h ILE 50 Ca 0.00 -0.46 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1msm h ILE 50 Cb 0.00 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.16 1msm h ILE 50 CO 0.00 0.16 -0.58 0.61 -3.07 0.00 0.00 178.15 175.28 1msm n GLY 51 N -1.19 -0.59 0.00 8.18 0.00 -1.26 -5.08 105.19 105.26 1msm n GLY 51 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1msm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msm n GLY 52 N 1.44 0.87 3.86 -0.02 0.00 -1.04 -5.10 105.19 105.19 1msm n GLY 52 Ca 0.08 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1msm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1msm s PHE 53 N -1.68 3.57 0.06 1.61 0.40 -1.26 -0.80 117.98 119.88 1msm s PHE 53 Ca 0.00 0.88 -0.01 0.00 -0.60 0.00 0.00 56.93 57.21 1msm s PHE 53 Cb 0.00 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1msm s PHE 53 CO 0.00 0.46 -0.04 0.96 0.70 0.00 0.00 175.22 177.30 1msm s ILE 54 N -1.48 0.30 -0.06 0.64 -4.36 -0.61 -4.97 121.20 110.66 1msm s ILE 54 Ca 0.37 -1.82 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 1msm s ILE 54 Cb -0.14 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.98 1msm s ILE 54 CO 0.19 -0.97 0.34 -0.54 0.24 0.00 0.00 174.94 174.20 1msm s LYS 55 N -3.88 3.92 0.22 0.37 -0.14 -1.26 -1.85 119.74 117.12 1msm s LYS 55 Ca 0.08 0.25 -0.00 0.00 -1.36 0.00 0.00 55.97 54.94 1msm s LYS 55 Cb 0.07 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1msm s LYS 55 CO -0.09 0.59 0.12 0.14 -0.76 0.00 0.00 175.35 175.35 1msm s VAL 56 N -0.67 0.17 -0.20 3.17 -7.23 -0.27 -4.79 120.40 110.58 1msm s VAL 56 Ca 0.21 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1msm s VAL 56 Cb -0.15 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1msm s VAL 56 CO 0.10 0.00 0.09 -0.13 -0.31 0.00 0.00 175.10 174.85 1msm s ARG 57 N -4.12 4.02 -0.25 4.82 0.52 -0.21 -2.90 118.95 120.84 1msm s ARG 57 Ca 0.39 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 55.18 1msm s ARG 57 Cb 0.07 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1msm s ARG 57 CO 0.13 0.22 0.15 -1.14 0.02 0.00 0.00 175.30 174.68 1msm s GLN 58 N 0.55 3.97 -0.09 3.54 0.74 -0.25 -0.67 119.66 127.46 1msm s GLN 58 Ca 0.05 -0.32 0.03 0.00 0.05 0.00 0.00 55.36 55.17 1msm s GLN 58 Cb -0.12 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 1msm s GLN 58 CO 0.01 -0.04 -0.17 0.71 -0.55 0.00 0.00 175.29 175.25 1msm s TYR 59 N 1.32 2.67 0.22 1.67 1.51 -0.60 -1.53 117.35 122.62 1msm s TYR 59 Ca 0.07 -0.56 0.06 0.00 -1.01 0.00 0.00 57.07 55.63 1msm s TYR 59 Cb -0.14 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1msm s TYR 59 CO 0.06 -0.12 0.18 -0.51 -1.11 0.00 0.00 175.55 174.06 1msm s ASP 60 N -0.07 5.56 -1.38 2.29 1.01 -1.26 -1.14 116.67 121.68 1msm s ASP 60 Ca -0.04 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 52.99 1msm s ASP 60 Cb -0.14 -1.44 0.02 0.00 1.01 0.00 0.00 42.92 42.37 1msm s ASP 60 CO 0.04 -0.00 0.75 0.00 0.21 0.00 0.00 175.17 176.17 1msm n GLN 61 N -0.89 -4.92 -3.37 8.23 6.02 -1.05 -4.91 117.38 116.49 1msm n GLN 61 Ca -0.08 0.59 -0.38 0.00 -0.01 0.00 0.00 57.00 57.13 1msm n GLN 61 Cb 0.57 -5.20 -0.06 0.00 1.02 0.00 0.00 30.24 26.57 1msm n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1msm s ILE 62 N -3.60 5.20 -0.00 5.09 -1.09 0.61 -4.71 121.20 122.69 1msm s ILE 62 Ca 0.18 0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1msm s ILE 62 Cb -0.09 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1msm s ILE 62 CO 0.82 0.36 1.17 -0.63 -1.23 0.00 0.00 174.94 175.44 1msm s ILE 63 N 0.45 4.24 -0.14 2.92 1.01 -1.26 -1.58 121.20 126.84 1msm s ILE 63 Ca 0.24 1.59 -0.13 0.00 0.00 0.00 0.00 60.65 62.35 1msm s ILE 63 Cb -0.15 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1msm s ILE 63 CO 0.09 0.06 0.38 -0.51 0.00 0.00 0.00 174.94 174.97 1msm s ILE 64 N 1.63 0.00 -0.09 2.92 2.07 -0.27 -4.48 121.20 122.99 1msm s ILE 64 Ca 0.56 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.81 1msm s ILE 64 Cb -0.26 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 1msm s ILE 64 CO 0.25 -0.00 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.46 1msm s GLU 65 N 0.18 2.99 -0.28 3.50 2.12 -0.21 -0.09 118.70 126.91 1msm s GLU 65 Ca -0.00 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.69 1msm s GLU 65 Cb -0.03 -2.54 0.07 0.00 0.26 0.00 0.00 34.13 31.89 1msm s GLU 65 CO 0.01 0.42 -0.06 0.42 -0.54 0.00 0.00 175.26 175.50 1msm s ILE 66 N -0.18 2.13 -1.52 -3.70 1.01 0.13 -0.75 121.20 118.33 1msm s ILE 66 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 60.65 58.75 1msm s ILE 66 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 42.46 40.08 1msm s ILE 66 CO 0.03 -0.19 0.91 0.00 0.00 0.00 0.00 174.94 175.69 1msm n GLY 68 N -1.66 2.62 3.61 0.00 0.00 -1.26 -5.02 105.19 103.48 1msm n GLY 68 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1msm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1msm s HIS 69 N -2.18 3.23 0.29 1.61 4.02 0.23 -5.03 115.29 117.46 1msm s HIS 69 Ca 0.00 0.76 -0.28 0.00 1.02 0.00 0.00 55.06 56.56 1msm s HIS 69 Cb 0.00 -3.07 -0.09 0.00 -1.02 0.00 0.00 32.58 28.40 1msm s HIS 69 CO 0.00 -0.48 1.02 0.15 1.02 0.00 0.00 174.74 176.45 1msm s LYS 70 N 2.76 4.63 0.13 1.40 1.02 -1.26 0.22 119.74 128.63 1msm s LYS 70 Ca 0.29 1.60 -0.10 0.00 0.02 0.00 0.00 55.97 57.78 1msm s LYS 70 Cb -0.15 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 1msm s LYS 70 CO 0.11 0.26 0.26 0.00 -0.92 0.00 0.00 175.35 175.07 1msm s ALA 71 N -1.31 -0.22 -0.14 5.17 0.00 0.87 -4.93 121.76 121.21 1msm s ALA 71 Ca 0.46 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1msm s ALA 71 Cb -0.27 0.69 0.07 0.00 0.00 0.00 0.00 23.12 23.61 1msm s ALA 71 CO 0.34 -0.60 0.17 0.42 0.00 0.00 0.00 175.76 176.09 1msm s ILE 72 N -3.90 -0.26 0.00 0.00 1.01 -1.26 -1.11 121.20 115.68 1msm s ILE 72 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1msm s ILE 72 Cb 0.04 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1msm s ILE 72 CO -0.06 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1msm n GLY 73 N 5.32 2.17 3.69 6.18 0.00 -0.61 -4.78 105.19 117.16 1msm n GLY 73 Ca -0.05 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1msm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1msm s THR 74 N -2.66 4.85 -0.10 2.61 2.01 -1.26 -0.29 115.64 120.80 1msm s THR 74 Ca 0.00 1.92 0.03 0.00 0.31 0.00 0.00 61.69 63.95 1msm s THR 74 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1msm s THR 74 CO 0.00 0.08 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.14 1msm s VAL 75 N 1.61 1.64 -0.06 3.82 1.01 -0.30 -4.48 120.40 123.66 1msm s VAL 75 Ca 0.47 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 1msm s VAL 75 Cb -0.19 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1msm s VAL 75 CO 0.20 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 175.14 1msm s LEU 76 N 0.65 4.24 -0.10 3.92 1.43 0.26 -1.56 118.68 127.53 1msm s LEU 76 Ca -0.13 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1msm s LEU 76 Cb -0.16 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1msm s LEU 76 CO 0.04 0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 176.07 1msm s VAL 77 N -1.16 1.71 -0.26 -1.59 1.01 0.15 -0.42 120.40 119.84 1msm s VAL 77 Ca 0.21 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1msm s VAL 77 Cb -0.12 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1msm s VAL 77 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1msm n GLY 78 N 3.77 -1.21 3.56 4.51 0.00 -1.10 -1.04 105.19 113.68 1msm n GLY 78 Ca -0.20 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1msm n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1msm s PRO 79 N -1.19 2.31 0.13 1.61 0.04 -1.26 -4.33 135.00 132.31 1msm s PRO 79 Ca 0.00 0.36 0.10 0.00 0.04 0.00 0.00 61.00 61.50 1msm s PRO 79 Cb 0.00 -4.75 -0.04 0.00 0.04 0.00 0.00 34.50 29.75 1msm s PRO 79 CO 0.00 -3.41 -0.25 -0.08 0.04 0.00 0.00 177.00 173.29 1msm s THR 80 N 11.10 2.14 0.26 1.26 -1.32 -1.26 -5.04 115.64 122.78 1msm s THR 80 Ca 0.78 -1.74 -0.04 0.00 -1.21 0.00 0.00 61.69 59.49 1msm s THR 80 Cb -0.11 -1.91 0.19 0.00 -1.51 0.00 0.00 72.50 69.16 1msm s THR 80 CO 0.11 0.03 1.86 -0.65 -2.21 0.00 0.00 174.62 173.76 1msm h PRO 81 N 3.86 1.06 -3.48 7.08 0.11 -1.97 -3.46 132.00 135.20 1msm h PRO 81 Ca -0.49 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 65.44 1msm h PRO 81 Cb 1.18 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 1msm h PRO 81 CO 0.40 0.82 -0.03 0.14 -0.21 0.00 0.00 178.00 179.12 1msm s VAL 82 N -5.58 0.01 -0.08 3.15 -7.23 -1.26 -5.11 120.40 104.30 1msm s VAL 82 Ca -0.11 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1msm s VAL 82 Cb 0.16 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1msm s VAL 82 CO 0.81 -0.04 1.34 0.20 -0.31 0.00 0.00 175.10 177.11 1msm s ASN 83 N -2.97 6.91 -0.21 4.85 0.01 -1.26 -4.74 114.94 117.52 1msm s ASN 83 Ca 0.18 1.91 -0.05 0.00 -0.71 0.00 0.00 52.86 54.18 1msm s ASN 83 Cb -0.02 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.07 1msm s ASN 83 CO 0.06 -0.73 0.01 -0.63 -1.51 0.00 0.00 177.10 174.30 1msm s ILE 84 N 2.97 3.95 -0.54 0.60 1.01 0.15 -0.26 121.20 129.08 1msm s ILE 84 Ca 0.60 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.78 1msm s ILE 84 Cb -0.27 -2.80 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1msm s ILE 84 CO 0.22 0.41 0.53 -0.63 0.00 0.00 0.00 174.94 175.46 1msm s ILE 85 N 1.20 5.12 0.71 2.92 -1.09 0.41 -0.93 121.20 129.55 1msm s ILE 85 Ca 0.03 -1.28 -0.08 0.00 -2.23 0.00 0.00 60.65 57.09 1msm s ILE 85 Cb -0.14 -4.33 0.16 0.00 -1.58 0.00 0.00 42.46 36.56 1msm s ILE 85 CO 0.01 -0.87 0.97 0.61 -1.23 0.00 0.00 174.94 174.44 1msm n GLY 86 N 5.24 -0.65 0.38 6.18 0.00 -1.11 -1.39 105.19 113.83 1msm n GLY 86 Ca -0.13 -1.82 0.15 0.00 0.00 0.00 0.00 46.02 44.23 1msm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1msm h ARG 87 N 0.00 0.39 -0.70 1.61 3.08 -1.06 -1.19 114.38 116.52 1msm h ARG 87 Ca -0.32 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1msm h ARG 87 Cb 0.96 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1msm h ARG 87 CO 0.26 0.26 0.46 -2.95 -1.07 0.00 0.00 179.97 176.93 1msm h ASN 88 N 0.40 0.68 0.24 7.04 -1.07 -1.79 -0.27 115.58 120.81 1msm h ASN 88 Ca 0.36 -0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.39 1msm h ASN 88 Cb 0.83 -0.15 -0.06 0.00 -2.07 0.00 0.00 38.32 36.87 1msm h ASN 88 CO -0.11 0.46 -2.06 0.18 0.07 0.00 0.00 177.43 175.96 1msm n LEU 89 N -4.47 0.63 -0.32 6.14 4.77 -0.87 -3.42 117.00 119.46 1msm n LEU 89 Ca 0.09 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1msm n LEU 89 Cb 0.17 0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1msm n LEU 89 CO 0.34 0.48 1.18 -0.07 -1.33 0.00 0.00 177.39 177.99 1msm h LEU 90 N 0.00 1.06 -0.47 2.23 3.38 -1.00 -1.81 115.31 118.71 1msm h LEU 90 Ca -0.42 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.40 1msm h LEU 90 Cb 2.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.58 1msm h LEU 90 CO 0.05 0.83 0.01 0.71 0.09 0.00 0.00 178.44 180.14 1msm h THR 91 N 1.20 1.26 -0.91 0.22 1.35 -1.21 0.17 112.91 114.99 1msm h THR 91 Ca 0.31 -1.04 0.06 0.00 -0.55 0.00 0.00 66.41 65.19 1msm h THR 91 Cb -0.02 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 67.35 1msm h THR 91 CO -0.05 0.36 0.58 -0.61 -0.25 0.00 0.00 175.52 175.54 1msm h GLN 92 N 0.67 1.04 -0.12 4.72 4.15 -1.41 -0.33 115.11 123.83 1msm h GLN 92 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1msm h GLN 92 Cb 0.49 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1msm h GLN 92 CO 0.02 0.69 0.00 0.44 -1.93 0.00 0.00 178.83 178.05 1msm n ILE 93 N -4.56 0.15 -2.22 2.39 -5.35 -0.74 -4.91 119.36 104.13 1msm n ILE 93 Ca 0.13 -0.20 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 1msm n ILE 93 Cb 0.16 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.14 1msm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1msm n GLY 94 N 0.90 0.27 3.75 3.28 0.00 -0.13 -5.03 105.19 108.23 1msm n GLY 94 Ca 0.12 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1msm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msm s THR 96 N -0.19 0.68 -0.05 0.00 -4.23 -1.26 -4.54 115.64 106.04 1msm s THR 96 Ca 0.36 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 1msm s THR 96 Cb -0.20 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1msm s THR 96 CO 0.22 -0.59 0.23 -0.76 -0.54 0.00 0.00 174.62 173.17 1msm s LEU 97 N -3.13 4.40 -0.04 4.79 1.43 -1.26 -5.09 118.68 119.77 1msm s LEU 97 Ca 0.20 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1msm s LEU 97 Cb 0.06 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1msm s LEU 97 CO 0.01 0.33 0.09 0.20 0.23 0.00 0.00 176.35 177.22 1msm s ASN 98 N -1.33 -0.08 0.00 2.29 -0.87 -1.26 -5.28 114.94 108.41 1msm s ASN 98 Ca 0.21 0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.68 1msm s ASN 98 Cb -0.13 0.16 0.00 0.00 -0.02 0.00 0.00 41.25 41.26 1msm s ASN 98 CO 0.11 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.81