#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msn s GLN 2 N 0.00 2.59 -0.32 -0.52 0.74 -1.26 -5.09 119.66 115.80 1msn s GLN 2 Ca 0.00 -1.13 -0.13 0.00 0.05 0.00 0.00 55.36 54.15 1msn s GLN 2 Cb 0.00 -2.93 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 1msn s GLN 2 CO 0.00 -0.47 0.25 0.42 -0.55 0.00 0.00 175.29 174.94 1msn s ILE 3 N 1.23 5.27 0.75 -2.34 1.01 -1.26 -5.08 121.20 120.80 1msn s ILE 3 Ca -0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 1msn s ILE 3 Cb -0.18 -3.68 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1msn s ILE 3 CO -0.05 0.05 1.08 0.42 0.00 0.00 0.00 174.94 176.44 1msn s THR 4 N 1.78 3.47 -0.26 2.92 -4.23 -1.26 -4.99 115.64 113.08 1msn s THR 4 Ca 0.07 0.48 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 1msn s THR 4 Cb -0.17 -3.22 0.54 0.00 1.34 0.00 0.00 72.50 70.99 1msn s THR 4 CO 0.11 -0.63 1.49 0.18 -0.54 0.00 0.00 174.62 175.24 1msn n LEU 5 N -3.31 4.29 0.18 4.79 4.77 -1.26 -4.58 117.00 121.89 1msn n LEU 5 Ca 0.07 -3.42 0.05 0.00 -0.03 0.00 0.00 56.01 52.68 1msn n LEU 5 Cb 0.55 -0.62 0.49 0.00 -2.33 0.00 0.00 43.42 41.52 1msn n LEU 5 CO 0.56 0.97 0.96 -0.50 -1.33 0.00 0.00 177.39 178.05 1msn h TRP 6 N 1.41 0.11 -3.54 -1.77 -0.00 -2.05 -3.44 115.95 106.68 1msn h TRP 6 Ca 0.16 -0.01 -0.40 0.00 -0.00 0.00 0.00 58.89 58.64 1msn h TRP 6 Cb 1.68 -0.03 -0.14 0.00 -0.00 0.00 0.00 29.16 30.67 1msn h TRP 6 CO 0.85 0.21 -0.60 0.15 -0.00 0.00 0.00 178.44 179.05 1msn s LYS 7 N -4.83 1.52 0.24 0.49 -0.14 -1.26 -5.11 119.74 110.64 1msn s LYS 7 Ca -0.05 -1.84 -0.31 0.00 -1.36 0.00 0.00 55.97 52.41 1msn s LYS 7 Cb 0.16 -0.38 -0.12 0.00 -1.68 0.00 0.00 37.83 35.81 1msn s LYS 7 CO 0.70 -0.31 1.66 1.03 -0.76 0.00 0.00 175.35 177.67 1msn s ARG 8 N -3.95 4.13 -1.22 1.68 0.52 -1.26 -4.87 118.95 113.97 1msn s ARG 8 Ca 0.36 2.57 -0.20 0.00 -0.52 0.00 0.00 55.73 57.95 1msn s ARG 8 Cb 0.07 -3.06 0.05 0.00 0.52 0.00 0.00 34.95 32.53 1msn s ARG 8 CO 0.15 -0.69 1.71 -1.25 0.02 0.00 0.00 175.30 175.23 1msn s PRO 9 N 0.51 3.72 -0.03 3.54 0.04 -1.26 -4.96 135.00 136.56 1msn s PRO 9 Ca 0.70 -1.69 -0.11 0.00 0.04 0.00 0.00 61.00 59.94 1msn s PRO 9 Cb -0.48 -5.46 -0.05 0.00 0.04 0.00 0.00 34.50 28.55 1msn s PRO 9 CO 0.38 -2.46 0.30 -0.51 0.04 0.00 0.00 177.00 174.75 1msn s LEU 10 N 5.25 4.42 0.09 -3.56 1.43 -1.26 -1.05 118.68 124.00 1msn s LEU 10 Ca 0.54 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1msn s LEU 10 Cb 0.02 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1msn s LEU 10 CO 0.05 0.32 -0.03 0.68 0.23 0.00 0.00 176.35 177.60 1msn s VAL 11 N -1.13 0.41 -0.13 -1.59 -7.23 0.53 -4.95 120.40 106.30 1msn s VAL 11 Ca 0.23 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.39 1msn s VAL 11 Cb -0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1msn s VAL 11 CO 0.11 -0.84 0.27 -0.89 -0.31 0.00 0.00 175.10 173.45 1msn s THR 12 N -3.81 5.30 0.27 5.32 2.01 -1.26 -0.21 115.64 123.26 1msn s THR 12 Ca 0.12 0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.69 1msn s THR 12 Cb 0.07 -3.59 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 1msn s THR 12 CO -0.05 0.47 -0.05 0.27 -0.69 0.00 0.00 174.62 174.57 1msn s ILE 13 N -0.10 1.55 -0.17 1.82 -4.36 0.11 -4.14 121.20 115.91 1msn s ILE 13 Ca 0.17 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 1msn s ILE 13 Cb -0.13 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.19 1msn s ILE 13 CO 0.05 -0.31 -0.12 -0.75 0.24 0.00 0.00 174.94 174.05 1msn s LYS 14 N -3.75 2.08 -0.02 0.37 2.20 0.11 -0.98 119.74 119.75 1msn s LYS 14 Ca 0.29 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1msn s LYS 14 Cb 0.04 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.17 1msn s LYS 14 CO 0.11 -0.33 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.25 1msn s ILE 15 N 1.47 0.28 -1.41 5.43 2.07 0.85 -1.07 121.20 128.82 1msn s ILE 15 Ca 0.02 -0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.15 1msn s ILE 15 Cb -0.14 -0.30 0.03 0.00 0.13 0.00 0.00 42.46 42.18 1msn s ILE 15 CO -0.09 0.13 0.44 0.61 -1.91 0.00 0.00 174.94 174.11 1msn n GLY 16 N 3.59 -0.51 3.23 1.50 0.00 -1.26 -0.11 105.19 111.63 1msn n GLY 16 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1msn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msn n GLY 17 N -1.27 1.42 3.85 -0.02 0.00 -1.26 -5.00 105.19 102.92 1msn n GLY 17 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1msn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1msn s GLN 18 N -0.11 3.27 -0.07 1.61 -0.21 0.84 -5.10 119.66 119.89 1msn s GLN 18 Ca 0.00 -0.40 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 1msn s GLN 18 Cb 0.00 -2.99 -0.05 0.00 1.00 0.00 0.00 33.01 30.98 1msn s GLN 18 CO 0.00 0.66 0.30 -0.51 -2.12 0.00 0.00 175.29 173.62 1msn s LEU 19 N -1.89 4.40 0.07 2.90 1.43 -1.26 -0.10 118.68 124.23 1msn s LEU 19 Ca 0.26 0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 1msn s LEU 19 Cb -0.12 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.72 1msn s LEU 19 CO 0.17 0.31 0.22 -0.54 0.23 0.00 0.00 176.35 176.74 1msn s LYS 20 N -0.76 0.80 -0.07 1.70 1.02 -0.15 -4.98 119.74 117.30 1msn s LYS 20 Ca 0.20 -0.77 -0.11 0.00 0.02 0.00 0.00 55.97 55.31 1msn s LYS 20 Cb -0.14 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.45 1msn s LYS 20 CO 0.09 -0.25 0.26 -2.00 -0.92 0.00 0.00 175.35 172.52 1msn s GLU 21 N -3.24 3.68 0.04 1.68 2.12 -1.26 0.05 118.70 121.78 1msn s GLU 21 Ca 0.00 0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.38 1msn s GLU 21 Cb 0.02 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1msn s GLU 21 CO -0.08 0.72 0.10 0.00 -0.54 0.00 0.00 175.26 175.46 1msn s ALA 22 N -0.99 -0.05 -0.25 6.30 0.00 0.70 -4.54 121.76 122.93 1msn s ALA 22 Ca 0.19 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.44 1msn s ALA 22 Cb -0.14 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1msn s ALA 22 CO 0.08 -0.34 0.19 -1.17 0.00 0.00 0.00 175.76 174.52 1msn s LEU 23 N -2.24 4.09 -0.31 0.00 2.96 0.25 -0.35 118.68 123.08 1msn s LEU 23 Ca -0.03 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 1msn s LEU 23 Cb -0.00 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1msn s LEU 23 CO -0.05 0.02 1.59 -0.76 -1.32 0.00 0.00 176.35 175.82 1msn s LEU 24 N 1.31 3.69 -0.32 -0.68 1.43 -0.21 -1.00 118.68 122.90 1msn s LEU 24 Ca 0.08 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 1msn s LEU 24 Cb -0.14 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.64 1msn s LEU 24 CO 0.07 -1.42 0.03 -0.62 0.23 0.00 0.00 176.35 174.63 1msn s ASP 25 N 4.57 4.56 0.52 2.29 2.15 -0.50 -4.78 116.67 125.48 1msn s ASP 25 Ca 0.70 -1.92 0.33 0.00 0.43 0.00 0.00 52.55 52.09 1msn s ASP 25 Cb -0.20 -1.48 1.37 0.00 -0.30 0.00 0.00 42.92 42.30 1msn s ASP 25 CO 0.31 -0.35 1.97 0.71 -0.17 0.00 0.00 175.17 177.64 1msn h THR 26 N 6.62 0.00 0.00 1.71 1.35 -1.93 -2.62 112.91 118.04 1msn h THR 26 Ca -0.08 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1msn h THR 26 Cb 1.03 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1msn h THR 26 CO 0.50 0.00 -0.04 0.61 -0.25 0.00 0.00 175.52 176.34 1msn n GLY 27 N -0.02 -1.50 3.65 5.82 0.00 -1.26 -4.78 105.19 107.10 1msn n GLY 27 Ca 0.01 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1msn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msn s ALA 28 N -3.01 3.57 0.18 4.61 0.00 -0.99 -4.97 121.76 121.15 1msn s ALA 28 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1msn s ALA 28 Cb 0.18 -2.55 0.08 0.00 0.00 0.00 0.00 23.12 20.84 1msn s ALA 28 CO 0.55 -0.34 1.72 -0.44 0.00 0.00 0.00 175.76 177.25 1msn h ASP 29 N 7.57 0.88 -2.59 0.00 3.32 -1.87 0.24 116.42 123.98 1msn h ASP 29 Ca -0.36 -0.19 -0.55 0.00 0.02 0.00 0.00 57.03 55.96 1msn h ASP 29 Cb 1.16 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 1msn h ASP 29 CO 0.68 0.83 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.66 1msn s ASP 30 N -6.18 2.94 -0.09 6.45 1.01 -1.26 -2.31 116.67 117.23 1msn s ASP 30 Ca -0.13 -1.50 -0.17 0.00 0.71 0.00 0.00 52.55 51.46 1msn s ASP 30 Cb 0.13 0.13 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 1msn s ASP 30 CO 0.81 -0.72 0.45 -0.89 0.21 0.00 0.00 175.17 175.03 1msn s THR 31 N -3.14 5.14 -0.06 -1.27 2.01 -1.26 -3.35 115.64 113.71 1msn s THR 31 Ca 0.28 0.90 0.02 0.00 0.31 0.00 0.00 61.69 63.21 1msn s THR 31 Cb 0.06 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1msn s THR 31 CO 0.14 0.40 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.66 1msn s VAL 32 N 0.14 1.09 0.09 3.82 1.01 -0.63 -0.73 120.40 125.19 1msn s VAL 32 Ca 0.25 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.84 1msn s VAL 32 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1msn s VAL 32 CO 0.11 0.34 -0.19 -0.63 0.00 0.00 0.00 175.10 174.73 1msn s ILE 33 N 0.64 1.54 0.97 2.22 -1.09 0.68 -1.17 121.20 124.99 1msn s ILE 33 Ca -0.14 -1.43 -0.12 0.00 -2.23 0.00 0.00 60.65 56.74 1msn s ILE 33 Cb -0.15 -1.41 0.13 0.00 -1.58 0.00 0.00 42.46 39.45 1msn s ILE 33 CO 0.03 -0.07 0.83 -1.84 -1.23 0.00 0.00 174.94 172.66 1msn n GLU 34 N 1.24 -0.69 -1.60 2.79 0.28 -1.26 -1.79 120.64 119.61 1msn n GLU 34 Ca -0.20 -0.15 -0.52 0.00 -0.16 0.00 0.00 57.16 56.13 1msn n GLU 34 Cb 0.54 -2.15 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 1msn n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1msn n GLU 35 N -3.38 1.17 -3.74 3.44 -0.58 -1.19 -4.56 120.64 111.80 1msn n GLU 35 Ca 0.09 0.42 -0.05 0.00 -0.42 0.00 0.00 57.16 57.20 1msn n GLU 35 Cb 0.53 -2.07 -0.02 0.00 -0.57 0.00 0.00 31.44 29.32 1msn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1msn s MET 36 N 0.73 1.29 -0.11 3.49 0.23 -1.26 -5.04 119.30 118.63 1msn s MET 36 Ca 0.85 -0.69 -0.14 0.00 -1.03 0.00 0.00 55.69 54.69 1msn s MET 36 Cb -0.96 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.75 1msn s MET 36 CO 0.48 -0.59 0.33 0.45 -2.03 0.00 0.00 175.02 173.66 1msn s SER 37 N -2.89 6.56 0.03 -1.18 0.15 -1.26 -5.05 113.70 110.06 1msn s SER 37 Ca 0.11 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.45 1msn s SER 37 Cb -0.02 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1msn s SER 37 CO 0.02 0.18 -0.10 -0.76 1.20 0.00 0.00 173.24 173.78 1msn s LEU 38 N -0.07 2.16 0.63 3.45 1.43 -1.26 -4.88 118.68 120.14 1msn s LEU 38 Ca 0.19 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1msn s LEU 38 Cb -0.14 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.68 1msn s LEU 38 CO 0.07 -0.03 1.09 -2.84 0.23 0.00 0.00 176.35 174.86 1msn s PRO 39 N -1.02 3.02 0.25 1.29 0.02 -1.26 -4.93 135.00 132.38 1msn s PRO 39 Ca -0.02 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.30 1msn s PRO 39 Cb -0.07 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1msn s PRO 39 CO 0.01 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 1msn n GLY 40 N -0.76 -2.63 3.90 0.52 0.00 -1.26 -4.96 105.19 99.99 1msn n GLY 40 Ca 0.10 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1msn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1msn s ARG 41 N -0.58 3.06 0.13 1.61 0.52 -1.26 -5.10 118.95 117.32 1msn s ARG 41 Ca 0.00 0.23 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 1msn s ARG 41 Cb 0.00 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.29 1msn s ARG 41 CO 0.00 -0.71 0.33 1.67 0.02 0.00 0.00 175.30 176.60 1msn s TRP 42 N -3.08 0.03 0.03 -0.53 1.48 -1.26 -4.50 118.94 111.12 1msn s TRP 42 Ca 0.54 -0.40 0.02 0.00 -1.06 0.00 0.00 56.10 55.20 1msn s TRP 42 Cb -0.11 0.11 -0.02 0.00 -1.16 0.00 0.00 33.47 32.30 1msn s TRP 42 CO 0.48 -0.68 -0.06 -1.59 -4.06 0.00 0.00 176.95 171.04 1msn s LYS 43 N -3.86 0.45 0.61 3.25 -2.85 -0.92 -4.91 119.74 111.51 1msn s LYS 43 Ca 0.07 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.19 1msn s LYS 43 Cb 0.03 -0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.59 1msn s LYS 43 CO -0.08 0.02 1.17 -2.14 0.10 0.00 0.00 175.35 174.42 1msn s PRO 44 N -1.45 2.93 -0.01 1.78 0.02 -1.26 -0.32 135.00 136.69 1msn s PRO 44 Ca -0.11 1.67 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 1msn s PRO 44 Cb -0.09 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.55 1msn s PRO 44 CO -0.00 -1.20 0.65 0.21 -0.33 0.00 0.00 177.00 176.32 1msn s LYS 45 N -3.55 1.09 -0.10 5.54 2.20 -0.53 -4.82 119.74 119.57 1msn s LYS 45 Ca 0.74 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1msn s LYS 45 Cb -0.26 0.51 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1msn s LYS 45 CO 0.35 -0.37 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.13 1msn s MET 46 N -1.71 3.03 0.01 4.03 -1.94 -1.26 -0.36 119.30 121.10 1msn s MET 46 Ca -0.09 -0.81 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 1msn s MET 46 Cb -0.00 -2.39 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 1msn s MET 46 CO 0.05 0.26 -0.16 0.96 -0.01 0.00 0.00 175.02 176.13 1msn s ILE 47 N 0.17 1.23 0.14 2.53 -4.36 -0.70 -4.96 121.20 115.25 1msn s ILE 47 Ca -0.11 -0.85 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 1msn s ILE 47 Cb -0.16 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.45 1msn s ILE 47 CO 0.06 0.20 -0.12 -0.83 0.24 0.00 0.00 174.94 174.49 1msn s GLY 48 N -0.74 1.09 0.00 6.27 0.00 -1.26 -1.15 107.32 111.52 1msn s GLY 48 Ca 0.05 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1msn s GLY 48 CO 0.00 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1msn n GLY 49 N 0.22 3.13 3.71 0.20 0.00 -0.66 -4.97 105.19 106.82 1msn n GLY 49 Ca -0.13 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1msn n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1msn s ILE 50 N -1.17 2.21 0.00 -0.61 -1.09 -1.26 -1.70 121.20 117.57 1msn s ILE 50 Ca 0.00 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1msn s ILE 50 Cb 0.00 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.84 1msn s ILE 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 1msn n GLY 51 N 4.03 1.38 0.00 6.18 0.00 -1.26 -4.96 105.19 110.56 1msn n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1msn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msn n GLY 52 N -2.00 0.26 3.72 -0.02 0.00 -0.69 -5.07 105.19 101.40 1msn n GLY 52 Ca 0.00 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.49 1msn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1msn s PHE 53 N 0.00 3.02 0.09 1.61 0.40 -1.26 -1.65 117.98 120.19 1msn s PHE 53 Ca 0.00 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1msn s PHE 53 Cb 0.00 -1.49 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 1msn s PHE 53 CO 0.00 0.51 -0.14 0.96 0.70 0.00 0.00 175.22 177.25 1msn s ILE 54 N -1.58 1.20 -0.02 0.64 -4.36 -0.30 -4.95 121.20 111.83 1msn s ILE 54 Ca 0.28 -1.51 -0.16 0.00 -0.26 0.00 0.00 60.65 59.00 1msn s ILE 54 Cb -0.11 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1msn s ILE 54 CO 0.20 -0.33 0.45 -0.75 0.24 0.00 0.00 174.94 174.75 1msn s LYS 55 N -2.22 4.08 0.17 0.37 2.20 -1.26 -1.73 119.74 121.35 1msn s LYS 55 Ca 0.03 0.47 0.01 0.00 -0.36 0.00 0.00 55.97 56.12 1msn s LYS 55 Cb -0.07 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1msn s LYS 55 CO 0.02 0.54 0.02 0.14 -0.36 0.00 0.00 175.35 175.71 1msn s VAL 56 N -0.61 0.56 -0.20 4.02 -7.23 0.51 -4.39 120.40 113.07 1msn s VAL 56 Ca 0.25 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1msn s VAL 56 Cb -0.17 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1msn s VAL 56 CO 0.13 -0.42 0.07 -0.13 -0.31 0.00 0.00 175.10 174.43 1msn s ARG 57 N -3.95 3.92 -0.23 4.82 0.52 0.93 -1.45 118.95 123.50 1msn s ARG 57 Ca 0.25 -0.37 -0.15 0.00 -0.52 0.00 0.00 55.73 54.95 1msn s ARG 57 Cb 0.06 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1msn s ARG 57 CO 0.05 0.18 0.35 -1.14 0.02 0.00 0.00 175.30 174.76 1msn s GLN 58 N 0.62 4.11 -0.09 3.54 0.74 0.57 -0.85 119.66 128.30 1msn s GLN 58 Ca 0.03 0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.56 1msn s GLN 58 Cb -0.13 -3.58 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 1msn s GLN 58 CO 0.01 -0.10 -0.21 0.71 -0.55 0.00 0.00 175.29 175.15 1msn s TYR 59 N 1.53 2.59 0.32 1.67 1.51 -0.48 -2.17 117.35 122.33 1msn s TYR 59 Ca 0.16 -0.73 0.07 0.00 -1.01 0.00 0.00 57.07 55.55 1msn s TYR 59 Cb -0.15 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1msn s TYR 59 CO 0.08 -0.23 0.36 -0.51 -1.11 0.00 0.00 175.55 174.14 1msn s ASP 60 N 0.04 5.62 -1.47 2.29 1.01 -1.26 -0.54 116.67 122.36 1msn s ASP 60 Ca -0.08 -0.33 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 1msn s ASP 60 Cb -0.15 -1.15 0.06 0.00 1.01 0.00 0.00 42.92 42.69 1msn s ASP 60 CO 0.05 -0.35 0.84 0.00 0.21 0.00 0.00 175.17 175.93 1msn n GLN 61 N -1.46 -5.02 -3.56 8.23 6.02 -1.18 -4.88 117.38 115.53 1msn n GLN 61 Ca -0.02 0.57 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 1msn n GLN 61 Cb 0.59 -5.30 -0.06 0.00 1.02 0.00 0.00 30.24 26.49 1msn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1msn s ILE 62 N -3.46 5.24 -0.11 5.09 -1.09 0.37 -4.77 121.20 122.47 1msn s ILE 62 Ca 0.43 0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 59.33 1msn s ILE 62 Cb -0.22 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1msn s ILE 62 CO 0.84 0.48 0.34 -0.63 -1.23 0.00 0.00 174.94 174.74 1msn s ILE 63 N -0.28 5.24 0.01 2.92 1.01 -1.26 -1.53 121.20 127.31 1msn s ILE 63 Ca 0.19 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.53 1msn s ILE 63 Cb -0.14 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1msn s ILE 63 CO 0.08 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 174.71 1msn s ILE 64 N 0.00 0.89 -0.21 2.92 1.01 -0.01 -4.42 121.20 121.39 1msn s ILE 64 Ca 0.20 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 1msn s ILE 64 Cb -0.14 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1msn s ILE 64 CO 0.07 0.11 0.05 -0.70 0.00 0.00 0.00 174.94 174.48 1msn s GLU 65 N -0.63 3.78 -0.08 2.79 2.12 -0.23 -1.09 118.70 125.36 1msn s GLU 65 Ca 0.02 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 1msn s GLU 65 Cb -0.06 -3.22 0.05 0.00 0.26 0.00 0.00 34.13 31.16 1msn s GLU 65 CO 0.00 0.05 0.16 -1.50 -0.54 0.00 0.00 175.26 173.43 1msn s ILE 66 N 0.97 -0.24 -1.34 -3.70 2.07 0.27 -0.71 121.20 118.52 1msn s ILE 66 Ca 0.03 0.34 -0.06 0.00 -1.41 0.00 0.00 60.65 59.55 1msn s ILE 66 Cb -0.14 -0.29 0.00 0.00 0.13 0.00 0.00 42.46 42.16 1msn s ILE 66 CO 0.03 0.14 0.49 0.00 -1.91 0.00 0.00 174.94 173.69 1msn n GLY 68 N -1.95 0.44 3.53 0.00 0.00 -1.26 -5.01 105.19 100.95 1msn n GLY 68 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 1msn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1msn s HIS 69 N -2.10 2.57 -0.28 1.61 4.02 0.06 -5.11 115.29 116.05 1msn s HIS 69 Ca 0.00 -0.25 -0.02 0.00 1.02 0.00 0.00 55.06 55.81 1msn s HIS 69 Cb 0.00 -1.28 0.04 0.00 -1.02 0.00 0.00 32.58 30.32 1msn s HIS 69 CO 0.00 0.49 -0.01 0.15 1.02 0.00 0.00 174.74 176.39 1msn s LYS 70 N -2.67 2.62 0.10 1.40 1.02 -1.26 -0.56 119.74 120.39 1msn s LYS 70 Ca 0.23 -1.14 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1msn s LYS 70 Cb -0.09 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1msn s LYS 70 CO 0.13 -0.54 -0.15 0.00 -0.92 0.00 0.00 175.35 173.88 1msn s ALA 71 N 1.30 2.79 -0.03 5.17 0.00 -0.25 -4.98 121.76 125.76 1msn s ALA 71 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1msn s ALA 71 Cb -0.19 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1msn s ALA 71 CO -0.02 0.61 -0.16 0.42 0.00 0.00 0.00 175.76 176.61 1msn s ILE 72 N -1.15 1.33 -2.27 0.00 1.09 -1.26 -0.83 121.20 118.11 1msn s ILE 72 Ca 0.19 -0.68 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1msn s ILE 72 Cb -0.11 -1.13 0.00 0.00 -1.06 0.00 0.00 42.46 40.16 1msn s ILE 72 CO 0.11 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 175.94 1msn n GLY 73 N 3.04 -1.29 3.76 6.18 0.00 -0.58 -4.91 105.19 111.39 1msn n GLY 73 Ca -0.17 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1msn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1msn s THR 74 N -3.00 3.48 -0.05 2.61 2.01 -1.26 -0.48 115.64 118.96 1msn s THR 74 Ca 0.00 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.47 1msn s THR 74 Cb 0.00 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.62 1msn s THR 74 CO 0.00 0.32 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.48 1msn s VAL 75 N -1.21 0.75 -0.19 3.82 1.01 0.29 -4.40 120.40 120.47 1msn s VAL 75 Ca 0.46 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1msn s VAL 75 Cb -0.31 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1msn s VAL 75 CO 0.40 0.26 0.10 -0.76 0.00 0.00 0.00 175.10 175.10 1msn s LEU 76 N 0.69 4.01 -0.14 3.92 1.43 0.09 -1.38 118.68 127.31 1msn s LEU 76 Ca -0.11 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1msn s LEU 76 Cb -0.14 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1msn s LEU 76 CO 0.01 0.18 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 1msn s VAL 77 N 0.35 3.11 0.00 -1.59 1.01 -0.03 -0.23 120.40 123.03 1msn s VAL 77 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1msn s VAL 77 Cb -0.12 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1msn s VAL 77 CO -0.01 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1msn n GLY 78 N 3.71 0.72 2.26 4.51 0.00 -0.74 -0.05 105.19 115.60 1msn n GLY 78 Ca -0.18 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1msn n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1msn n PRO 79 N 0.00 3.02 -2.90 1.61 -0.04 -1.26 -3.14 135.00 132.30 1msn n PRO 79 Ca 0.00 -1.77 -0.39 0.00 -0.04 0.00 0.00 63.50 61.31 1msn n PRO 79 Cb 0.00 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 1msn n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1msn s THR 80 N 1.99 4.28 0.25 0.52 -1.32 -1.26 -4.96 115.64 115.14 1msn s THR 80 Ca 0.65 1.77 0.16 0.00 -1.21 0.00 0.00 61.69 63.06 1msn s THR 80 Cb 0.21 -4.12 0.09 0.00 -1.51 0.00 0.00 72.50 67.16 1msn s THR 80 CO -0.04 0.40 1.73 -0.65 -2.21 0.00 0.00 174.62 173.85 1msn h PRO 81 N 3.92 0.00 -4.93 7.08 0.11 -1.99 -3.44 132.00 132.75 1msn h PRO 81 Ca -0.47 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.25 1msn h PRO 81 Cb 1.20 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 1msn h PRO 81 CO 0.66 0.43 -0.78 -0.06 -0.21 0.00 0.00 178.00 178.05 1msn s PHE 82 N -3.74 0.94 -0.13 0.65 0.40 -1.26 -5.10 117.98 109.74 1msn s PHE 82 Ca -0.01 -0.29 -0.28 0.00 -0.60 0.00 0.00 56.93 55.75 1msn s PHE 82 Cb 0.12 -0.58 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 1msn s PHE 82 CO 0.71 -0.00 0.94 -0.80 0.70 0.00 0.00 175.22 176.76 1msn s ASN 83 N -0.83 7.13 -0.04 1.36 0.01 -1.26 -4.80 114.94 116.51 1msn s ASN 83 Ca 0.00 1.39 0.04 0.00 -0.71 0.00 0.00 52.86 53.59 1msn s ASN 83 Cb -0.06 -2.52 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 1msn s ASN 83 CO 0.00 -0.44 -0.16 0.68 -1.51 0.00 0.00 177.10 175.68 1msn s VAL 84 N 2.10 1.35 -0.35 1.60 -7.23 -0.31 -0.58 120.40 116.97 1msn s VAL 84 Ca 0.44 -0.69 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 1msn s VAL 84 Cb -0.17 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 1msn s VAL 84 CO 0.15 0.39 0.43 -0.63 -0.31 0.00 0.00 175.10 175.14 1msn s ILE 85 N -0.04 5.09 0.75 -0.62 -1.09 -0.17 -1.61 121.20 123.52 1msn s ILE 85 Ca -0.02 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1msn s ILE 85 Cb -0.10 -3.91 0.15 0.00 -1.58 0.00 0.00 42.46 37.02 1msn s ILE 85 CO 0.01 -0.19 1.03 0.61 -1.23 0.00 0.00 174.94 175.18 1msn n GLY 86 N 4.91 0.27 0.36 6.18 0.00 -1.21 -1.41 105.19 114.28 1msn n GLY 86 Ca -0.07 -1.97 0.10 0.00 0.00 0.00 0.00 46.02 44.08 1msn n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1msn h ARG 87 N 0.00 0.61 -0.46 1.61 3.08 -0.92 -0.16 114.38 118.14 1msn h ARG 87 Ca -0.34 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 59.81 1msn h ARG 87 Cb 1.18 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1msn h ARG 87 CO 0.34 0.40 0.33 -2.95 -1.07 0.00 0.00 179.97 177.02 1msn h ASN 88 N 0.63 0.00 0.00 7.04 -1.07 -1.72 -1.77 115.58 118.69 1msn h ASN 88 Ca 0.36 0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.44 1msn h ASN 88 Cb 0.53 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.73 1msn h ASN 88 CO -0.13 0.00 -2.10 0.18 0.07 0.00 0.00 177.43 175.45 1msn n LEU 89 N -4.39 0.00 -0.19 6.14 4.77 -0.71 -4.37 117.00 118.24 1msn n LEU 89 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 1msn n LEU 89 Cb 0.54 0.38 0.27 0.00 -2.33 0.00 0.00 43.42 42.28 1msn n LEU 89 CO 0.36 0.38 1.23 -0.07 -1.33 0.00 0.00 177.39 177.97 1msn h LEU 90 N 0.00 0.81 -0.79 2.23 3.38 -0.58 -1.94 115.31 118.41 1msn h LEU 90 Ca -0.42 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1msn h LEU 90 Cb 1.94 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.46 1msn h LEU 90 CO 0.02 0.58 0.32 0.71 0.09 0.00 0.00 178.44 180.16 1msn h THR 91 N 0.95 1.26 0.00 0.22 1.35 -1.55 -1.25 112.91 113.88 1msn h THR 91 Ca 0.27 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.31 1msn h THR 91 Cb -0.08 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1msn h THR 91 CO -0.06 0.33 -0.05 1.56 -0.25 0.00 0.00 175.52 177.06 1msn h GLN 92 N 1.14 0.00 -0.69 4.72 1.08 -1.55 -0.42 115.11 119.39 1msn h GLN 92 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1msn h GLN 92 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1msn h GLN 92 CO -0.02 0.05 0.00 0.44 -0.95 0.00 0.00 178.83 178.34 1msn n ILE 93 N -3.87 1.12 -2.75 2.54 -5.35 -1.06 -4.95 119.36 105.03 1msn n ILE 93 Ca -0.03 -1.03 -0.12 0.00 -0.27 0.00 0.00 62.75 61.30 1msn n ILE 93 Cb 0.14 0.45 0.02 0.00 -1.74 0.00 0.00 39.64 38.51 1msn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1msn n GLY 94 N 1.48 0.08 3.73 3.28 0.00 -0.17 -5.00 105.19 108.59 1msn n GLY 94 Ca 0.24 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1msn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msn s THR 96 N -0.13 0.23 -0.12 0.00 -4.23 -1.26 -4.69 115.64 105.43 1msn s THR 96 Ca 0.47 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1msn s THR 96 Cb -0.24 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1msn s THR 96 CO 0.31 -0.87 0.13 -0.76 -0.54 0.00 0.00 174.62 172.89 1msn s LEU 97 N -2.58 4.35 -0.00 4.79 1.43 -1.26 -5.08 118.68 120.33 1msn s LEU 97 Ca 0.02 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1msn s LEU 97 Cb 0.03 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1msn s LEU 97 CO -0.08 0.39 0.00 0.20 0.23 0.00 0.00 176.35 177.10 1msn s ASN 98 N -0.93 0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.90 1msn s ASN 98 Ca 0.14 0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1msn s ASN 98 Cb -0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.11 1msn s ASN 98 CO 0.04 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.78