#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh0 s GLN 2 N 0.00 3.48 -0.27 0.54 0.74 -1.26 -5.10 119.66 117.79 1nh0 s GLN 2 Ca 0.00 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 1nh0 s GLN 2 Cb 0.00 -3.05 0.01 0.00 1.10 0.00 0.00 33.01 31.07 1nh0 s GLN 2 CO 0.00 -0.12 0.01 0.42 -0.55 0.00 0.00 175.29 175.06 1nh0 s ILE 3 N 1.31 3.50 0.83 -2.34 1.01 -1.26 -5.11 121.20 119.13 1nh0 s ILE 3 Ca 0.04 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 1nh0 s ILE 3 Cb -0.14 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.64 1nh0 s ILE 3 CO -0.01 0.16 1.17 0.42 0.00 0.00 0.00 174.94 176.69 1nh0 s THR 4 N 1.43 2.07 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.42 1nh0 s THR 4 Ca 0.02 0.02 0.18 0.00 -1.18 0.00 0.00 61.69 60.74 1nh0 s THR 4 Cb -0.17 -2.97 0.31 0.00 1.34 0.00 0.00 72.50 71.01 1nh0 s THR 4 CO -0.01 -0.03 1.17 0.18 -0.54 0.00 0.00 174.62 175.39 1nh0 n LEU 5 N -3.39 2.45 0.21 4.79 4.77 -1.26 -4.61 117.00 119.96 1nh0 n LEU 5 Ca 0.08 -3.15 0.06 0.00 -0.03 0.00 0.00 56.01 52.97 1nh0 n LEU 5 Cb 0.60 -0.44 0.46 0.00 -2.33 0.00 0.00 43.42 41.71 1nh0 n LEU 5 CO 0.57 0.76 0.79 -0.50 -1.33 0.00 0.00 177.39 177.68 1nh0 h TRP 6 N 0.16 0.00 -2.38 -1.77 4.06 -2.06 -3.44 115.95 110.52 1nh0 h TRP 6 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 1nh0 h TRP 6 Cb 1.02 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 1nh0 h TRP 6 CO 0.08 0.29 -0.62 1.14 -3.56 0.00 0.00 178.44 175.78 1nh0 s GLN 7 N -4.08 1.75 0.31 0.49 -2.07 -1.26 -5.11 119.66 109.70 1nh0 s GLN 7 Ca -0.02 -1.97 -0.29 0.00 -1.82 0.00 0.00 55.36 51.26 1nh0 s GLN 7 Cb 0.13 -1.20 -0.11 0.00 -1.09 0.00 0.00 33.01 30.74 1nh0 s GLN 7 CO 0.67 -0.10 1.53 1.03 -1.32 0.00 0.00 175.29 177.10 1nh0 s ARG 8 N -3.80 4.15 -1.34 9.60 0.52 -1.26 -4.87 118.95 121.95 1nh0 s ARG 8 Ca 0.35 2.52 -0.14 0.00 -0.52 0.00 0.00 55.73 57.94 1nh0 s ARG 8 Cb 0.08 -3.02 0.09 0.00 0.52 0.00 0.00 34.95 32.63 1nh0 s ARG 8 CO 0.16 -0.55 1.91 -0.35 0.02 0.00 0.00 175.30 176.49 1nh0 n PRO 9 N 1.63 3.18 -3.14 3.54 -0.04 -1.26 -4.94 135.00 133.97 1nh0 n PRO 9 Ca 0.05 -3.15 -0.39 0.00 -0.04 0.00 0.00 63.50 59.97 1nh0 n PRO 9 Cb 0.38 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 1nh0 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nh0 s LEU 10 N 2.16 4.51 0.08 1.53 1.43 -1.26 -1.25 118.68 125.89 1nh0 s LEU 10 Ca 0.47 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1nh0 s LEU 10 Cb 0.08 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1nh0 s LEU 10 CO -0.01 0.19 -0.05 0.68 0.23 0.00 0.00 176.35 177.38 1nh0 s VAL 11 N -0.78 0.51 0.22 -1.59 -7.23 -0.04 -4.94 120.40 106.55 1nh0 s VAL 11 Ca 0.33 -1.80 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 1nh0 s VAL 11 Cb -0.20 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.14 1nh0 s VAL 11 CO 0.21 -0.87 1.20 0.42 -0.31 0.00 0.00 175.10 175.75 1nh0 s THR 12 N -3.48 3.43 0.17 5.32 -4.23 -1.26 -1.32 115.64 114.27 1nh0 s THR 12 Ca 0.08 1.27 0.08 0.00 -1.18 0.00 0.00 61.69 61.94 1nh0 s THR 12 Cb 0.05 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 1nh0 s THR 12 CO -0.06 0.23 -0.16 0.27 -0.54 0.00 0.00 174.62 174.36 1nh0 s ILE 13 N -0.39 1.73 -0.14 2.99 -4.36 -0.29 -1.04 121.20 119.71 1nh0 s ILE 13 Ca 0.51 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1nh0 s ILE 13 Cb -0.34 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.53 1nh0 s ILE 13 CO 0.39 -0.42 -0.14 -0.75 0.24 0.00 0.00 174.94 174.26 1nh0 s LYS 14 N -3.05 2.25 -0.09 0.37 2.20 0.12 -0.94 119.74 120.60 1nh0 s LYS 14 Ca 0.17 -0.55 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 1nh0 s LYS 14 Cb -0.04 -2.02 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 1nh0 s LYS 14 CO 0.06 -0.19 0.24 -1.50 -0.36 0.00 0.00 175.35 173.61 1nh0 s ILE 15 N 1.35 -0.00 -1.04 5.43 2.07 -0.70 -1.15 121.20 127.15 1nh0 s ILE 15 Ca 0.02 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1nh0 s ILE 15 Cb -0.13 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1nh0 s ILE 15 CO -0.08 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1nh0 n GLY 16 N 3.09 0.99 1.18 1.50 0.00 -1.26 -1.37 105.19 109.33 1nh0 n GLY 16 Ca -0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nh0 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh0 n GLY 17 N -0.16 0.70 3.23 -0.02 0.00 -1.26 -5.03 105.19 102.65 1nh0 n GLY 17 Ca -0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1nh0 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nh0 s GLN 18 N -0.45 0.99 -0.00 1.61 0.00 -0.47 -5.11 119.66 116.22 1nh0 s GLN 18 Ca 0.00 -1.21 -0.25 0.00 -0.00 0.00 0.00 55.36 53.90 1nh0 s GLN 18 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 33.01 32.10 1nh0 s GLN 18 CO 0.00 0.16 0.76 -0.51 0.00 0.00 0.00 175.29 175.70 1nh0 s LEU 19 N -2.40 4.39 0.00 2.60 1.43 -1.26 -1.71 118.68 121.73 1nh0 s LEU 19 Ca 0.08 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.59 1nh0 s LEU 19 Cb -0.05 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 1nh0 s LEU 19 CO 0.03 -0.06 0.19 0.29 0.23 0.00 0.00 176.35 177.02 1nh0 n LYS 20 N 3.29 0.44 -4.15 1.70 5.02 -0.12 -5.00 118.16 119.34 1nh0 n LYS 20 Ca -0.01 -2.69 -0.17 0.00 -2.02 0.00 0.00 58.31 53.42 1nh0 n LYS 20 Cb 0.51 1.94 -0.12 0.00 -0.02 0.00 0.00 35.03 37.34 1nh0 n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1nh0 s GLU 21 N -3.14 0.76 0.08 1.97 -1.05 -1.26 -1.13 118.70 114.93 1nh0 s GLU 21 Ca 0.26 -0.95 -0.15 0.00 -0.15 0.00 0.00 54.97 53.98 1nh0 s GLU 21 Cb 0.01 -0.66 0.03 0.00 -0.44 0.00 0.00 34.13 33.07 1nh0 s GLU 21 CO 0.19 0.14 0.35 0.00 0.95 0.00 0.00 175.26 176.89 1nh0 s ALA 22 N -1.50 -0.80 -0.15 -0.84 0.00 -0.43 -4.65 121.76 113.39 1nh0 s ALA 22 Ca -0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.72 1nh0 s ALA 22 Cb -0.09 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1nh0 s ALA 22 CO 0.02 -0.52 0.54 -1.17 0.00 0.00 0.00 175.76 174.62 1nh0 s LEU 23 N -2.44 4.23 -0.41 0.00 2.96 0.20 -0.86 118.68 122.35 1nh0 s LEU 23 Ca -0.01 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.44 1nh0 s LEU 23 Cb 0.01 -2.77 0.02 0.00 0.50 0.00 0.00 46.19 43.95 1nh0 s LEU 23 CO -0.07 -0.10 1.28 -0.76 -1.32 0.00 0.00 176.35 175.37 1nh0 s LEU 24 N 1.10 3.67 -0.39 -0.68 1.43 -0.38 -0.61 118.68 122.82 1nh0 s LEU 24 Ca 0.27 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1nh0 s LEU 24 Cb -0.16 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1nh0 s LEU 24 CO 0.11 -1.29 0.14 -0.62 0.23 0.00 0.00 176.35 174.92 1nh0 s ASP 25 N 3.10 4.33 0.26 2.29 -1.08 -0.26 -4.79 116.67 120.52 1nh0 s ASP 25 Ca 0.55 -2.32 0.23 0.00 -0.52 0.00 0.00 52.55 50.49 1nh0 s ASP 25 Cb -0.12 -1.37 0.99 0.00 -1.46 0.00 0.00 42.92 40.96 1nh0 s ASP 25 CO 0.30 -0.34 1.71 0.35 0.52 0.00 0.00 175.17 177.71 1nh0 n THR 26 N 4.00 0.84 1.45 1.71 -2.24 -1.26 -2.18 114.28 116.60 1nh0 n THR 26 Ca 0.04 0.25 0.14 0.00 -2.27 0.00 0.00 64.05 62.21 1nh0 n THR 26 Cb 0.38 -1.19 0.64 0.00 -2.10 0.00 0.00 70.33 68.07 1nh0 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nh0 n GLY 27 N -0.06 -0.93 3.62 3.38 0.00 -1.26 -4.84 105.19 105.11 1nh0 n GLY 27 Ca 0.02 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1nh0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh0 s ALA 28 N -2.43 3.43 0.26 4.61 0.00 -0.92 -4.99 121.76 121.71 1nh0 s ALA 28 Ca 0.30 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1nh0 s ALA 28 Cb 0.20 -2.01 0.33 0.00 0.00 0.00 0.00 23.12 21.64 1nh0 s ALA 28 CO 0.46 0.05 1.71 -0.44 0.00 0.00 0.00 175.76 177.55 1nh0 h ASP 29 N 6.98 0.65 -2.06 0.00 3.32 -1.88 0.36 116.42 123.79 1nh0 h ASP 29 Ca -0.37 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.87 1nh0 h ASP 29 Cb 1.17 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 1nh0 h ASP 29 CO 0.69 0.82 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.51 1nh0 s ASP 30 N -6.74 3.73 -0.18 6.45 1.01 -1.26 -2.13 116.67 117.55 1nh0 s ASP 30 Ca -0.08 -1.10 -0.12 0.00 0.71 0.00 0.00 52.55 51.96 1nh0 s ASP 30 Cb 0.14 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.66 1nh0 s ASP 30 CO 0.81 -0.10 0.24 -0.89 0.21 0.00 0.00 175.17 175.44 1nh0 s THR 31 N -2.55 5.34 -0.06 -1.27 2.01 -1.26 -2.97 115.64 114.87 1nh0 s THR 31 Ca 0.32 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1nh0 s THR 31 Cb -0.01 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.95 1nh0 s THR 31 CO 0.16 0.40 -0.04 0.54 -0.69 0.00 0.00 174.62 174.99 1nh0 s VAL 32 N 0.45 0.62 0.17 3.82 0.11 -0.47 -1.01 120.40 124.09 1nh0 s VAL 32 Ca 0.13 -0.11 0.11 0.00 -2.93 0.00 0.00 61.98 59.18 1nh0 s VAL 32 Cb -0.12 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1nh0 s VAL 32 CO 0.02 0.27 -0.23 -0.76 -3.33 0.00 0.00 175.10 171.07 1nh0 s LEU 33 N 1.32 2.47 0.91 2.54 1.43 0.25 -0.60 118.68 127.00 1nh0 s LEU 33 Ca -0.04 -0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1nh0 s LEU 33 Cb -0.14 -1.26 0.14 0.00 0.03 0.00 0.00 46.19 44.96 1nh0 s LEU 33 CO -0.02 0.14 1.10 -1.61 0.23 0.00 0.00 176.35 176.18 1nh0 s GLU 34 N -2.46 1.13 -0.07 1.70 2.02 -1.26 -1.32 118.70 118.44 1nh0 s GLU 34 Ca 0.19 1.07 -0.39 0.00 0.02 0.00 0.00 54.97 55.85 1nh0 s GLU 34 Cb -0.09 -1.78 -0.18 0.00 0.10 0.00 0.00 34.13 32.19 1nh0 s GLU 34 CO 0.09 -2.40 1.36 -1.91 0.02 0.00 0.00 175.26 172.43 1nh0 n GLU 35 N -4.02 0.68 -3.62 1.61 4.07 -1.26 -4.65 120.64 113.45 1nh0 n GLU 35 Ca 0.08 0.25 -0.07 0.00 -0.06 0.00 0.00 57.16 57.36 1nh0 n GLU 35 Cb 0.54 -1.84 -0.02 0.00 -0.06 0.00 0.00 31.44 30.06 1nh0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nh0 s MET 36 N 1.17 1.16 0.03 5.31 0.23 -1.26 -5.08 119.30 120.85 1nh0 s MET 36 Ca 0.91 -0.54 -0.21 0.00 -1.03 0.00 0.00 55.69 54.81 1nh0 s MET 36 Cb -1.13 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 32.57 1nh0 s MET 36 CO 0.57 -0.52 0.63 -1.12 -2.03 0.00 0.00 175.02 172.55 1nh0 s SER 37 N -2.75 7.05 0.04 -1.18 0.01 -1.26 -5.07 113.70 110.54 1nh0 s SER 37 Ca 0.08 1.25 -0.00 0.00 1.31 0.00 0.00 55.95 58.59 1nh0 s SER 37 Cb -0.02 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1nh0 s SER 37 CO -0.04 0.12 -0.03 -0.76 0.41 0.00 0.00 173.24 172.94 1nh0 s LEU 38 N -0.37 2.34 0.57 2.44 1.43 -1.26 -4.87 118.68 118.96 1nh0 s LEU 38 Ca 0.32 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.59 1nh0 s LEU 38 Cb -0.19 0.11 -0.06 0.00 0.03 0.00 0.00 46.19 46.08 1nh0 s LEU 38 CO 0.19 -0.40 1.01 -2.16 0.23 0.00 0.00 176.35 175.22 1nh0 s PRO 39 N -2.41 3.70 0.01 1.29 0.04 -1.26 -4.97 135.00 131.40 1nh0 s PRO 39 Ca -0.07 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1nh0 s PRO 39 Cb -0.03 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1nh0 s PRO 39 CO -0.04 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1nh0 n GLY 40 N -2.02 -3.75 3.78 0.56 0.00 -1.26 -4.88 105.19 97.62 1nh0 n GLY 40 Ca 0.07 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 1nh0 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nh0 s ARG 41 N -0.95 4.17 0.24 1.61 1.81 -1.26 -5.07 118.95 119.50 1nh0 s ARG 41 Ca 0.00 1.52 0.11 0.00 -1.72 0.00 0.00 55.73 55.65 1nh0 s ARG 41 Cb 0.00 -2.56 -0.05 0.00 -0.45 0.00 0.00 34.95 31.90 1nh0 s ARG 41 CO 0.00 -0.14 -0.18 1.67 -0.68 0.00 0.00 175.30 175.97 1nh0 s TRP 42 N -1.64 2.38 0.00 -0.53 1.48 -1.26 -4.48 118.94 114.89 1nh0 s TRP 42 Ca 0.57 -0.32 0.06 0.00 -1.06 0.00 0.00 56.10 55.36 1nh0 s TRP 42 Cb -0.22 -1.10 -0.02 0.00 -1.16 0.00 0.00 33.47 30.97 1nh0 s TRP 42 CO 0.28 0.61 -0.19 0.15 -4.06 0.00 0.00 176.95 173.74 1nh0 s LYS 43 N -3.16 1.48 0.22 3.25 1.02 -0.33 -4.90 119.74 117.33 1nh0 s LYS 43 Ca 0.26 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1nh0 s LYS 43 Cb -0.07 -1.48 -0.09 0.00 -0.52 0.00 0.00 37.83 35.68 1nh0 s LYS 43 CO 0.14 0.40 1.22 -1.25 -0.92 0.00 0.00 175.35 174.94 1nh0 s PRO 44 N -0.65 4.48 0.04 -1.68 0.04 -1.26 -0.46 135.00 135.50 1nh0 s PRO 44 Ca 0.07 1.95 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 1nh0 s PRO 44 Cb -0.08 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1nh0 s PRO 44 CO -0.00 -0.09 0.10 0.15 0.04 0.00 0.00 177.00 177.21 1nh0 s LYS 45 N -0.60 0.62 -0.08 4.56 -0.14 -0.63 -4.92 119.74 118.56 1nh0 s LYS 45 Ca 0.52 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 54.35 1nh0 s LYS 45 Cb -0.34 0.24 -0.03 0.00 -1.68 0.00 0.00 37.83 36.03 1nh0 s LYS 45 CO 0.40 -0.16 -0.10 -1.64 -0.76 0.00 0.00 175.35 173.08 1nh0 s MET 46 N -2.80 2.83 0.05 1.68 -1.94 -1.26 -0.94 119.30 116.92 1nh0 s MET 46 Ca -0.03 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 53.38 1nh0 s MET 46 Cb 0.00 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 1nh0 s MET 46 CO -0.05 0.55 -0.14 0.96 -0.01 0.00 0.00 175.02 176.32 1nh0 s ILE 47 N -0.51 1.13 -0.01 2.53 -4.36 -0.58 -4.97 121.20 114.43 1nh0 s ILE 47 Ca 0.07 -1.13 0.05 0.00 -0.26 0.00 0.00 60.65 59.38 1nh0 s ILE 47 Cb -0.12 -1.05 -0.03 0.00 1.25 0.00 0.00 42.46 42.51 1nh0 s ILE 47 CO 0.02 -0.08 -0.16 -0.83 0.24 0.00 0.00 174.94 174.13 1nh0 s GLY 48 N -1.38 1.54 0.00 6.27 0.00 -1.26 -0.95 107.32 111.54 1nh0 s GLY 48 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1nh0 s GLY 48 CO 0.02 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 172.83 1nh0 n GLY 49 N 1.99 5.45 0.28 0.20 0.00 -0.18 -4.99 105.19 107.94 1nh0 n GLY 49 Ca -0.17 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.04 1nh0 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nh0 h ILE 50 N 0.48 1.12 -0.01 -0.61 2.10 -2.02 -3.05 117.51 115.52 1nh0 h ILE 50 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1nh0 h ILE 50 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1nh0 h ILE 50 CO 0.00 0.14 -0.63 0.61 -1.08 0.00 0.00 178.15 177.19 1nh0 n GLY 51 N -1.27 -0.31 0.00 8.18 0.00 -1.26 -5.09 105.19 105.45 1nh0 n GLY 51 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1nh0 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh0 n GLY 52 N 1.44 0.93 3.83 -0.02 0.00 -1.15 -5.13 105.19 105.09 1nh0 n GLY 52 Ca 0.08 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1nh0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nh0 s PHE 53 N -2.91 3.31 0.14 1.61 0.08 -1.26 -1.01 117.98 117.95 1nh0 s PHE 53 Ca 0.00 0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.26 1nh0 s PHE 53 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1nh0 s PHE 53 CO 0.00 0.55 -0.15 0.96 -0.10 0.00 0.00 175.22 176.48 1nh0 s ILE 54 N -1.42 1.48 -0.03 0.64 -4.36 -0.13 -4.97 121.20 112.42 1nh0 s ILE 54 Ca 0.31 -1.80 -0.21 0.00 -0.26 0.00 0.00 60.65 58.69 1nh0 s ILE 54 Cb -0.12 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 1nh0 s ILE 54 CO 0.23 -0.40 0.62 -0.54 0.24 0.00 0.00 174.94 175.09 1nh0 s LYS 55 N -2.77 4.36 0.11 0.37 1.02 -1.26 -1.53 119.74 120.04 1nh0 s LYS 55 Ca 0.11 0.76 0.02 0.00 0.02 0.00 0.00 55.97 56.88 1nh0 s LYS 55 Cb -0.05 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 1nh0 s LYS 55 CO 0.04 0.28 -0.06 0.14 -0.92 0.00 0.00 175.35 174.83 1nh0 s VAL 56 N 0.11 0.72 -0.23 3.17 -7.23 -0.11 -4.42 120.40 112.40 1nh0 s VAL 56 Ca 0.32 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1nh0 s VAL 56 Cb -0.18 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 1nh0 s VAL 56 CO 0.17 -0.79 0.15 -0.13 -0.31 0.00 0.00 175.10 174.18 1nh0 s ARG 57 N -3.84 4.06 -0.26 4.82 0.52 -0.26 -1.61 118.95 122.38 1nh0 s ARG 57 Ca 0.14 -0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 54.93 1nh0 s ARG 57 Cb 0.05 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1nh0 s ARG 57 CO -0.03 0.10 0.36 -1.14 0.02 0.00 0.00 175.30 174.61 1nh0 s GLN 58 N 0.94 4.03 -0.08 3.54 0.74 0.39 -0.79 119.66 128.42 1nh0 s GLN 58 Ca 0.07 0.04 -0.00 0.00 0.05 0.00 0.00 55.36 55.51 1nh0 s GLN 58 Cb -0.13 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 1nh0 s GLN 58 CO 0.03 -0.25 -0.05 0.71 -0.55 0.00 0.00 175.29 175.18 1nh0 s TYR 59 N 1.99 2.99 0.04 1.67 1.51 -0.18 -1.19 117.35 124.19 1nh0 s TYR 59 Ca 0.15 0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1nh0 s TYR 59 Cb -0.16 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1nh0 s TYR 59 CO 0.10 0.30 0.07 -0.51 -1.11 0.00 0.00 175.55 174.39 1nh0 s ASP 60 N -0.64 5.51 -1.36 2.29 1.01 -1.26 -1.20 116.67 121.02 1nh0 s ASP 60 Ca 0.10 0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.36 1nh0 s ASP 60 Cb -0.12 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.33 1nh0 s ASP 60 CO 0.02 0.22 0.75 0.00 0.21 0.00 0.00 175.17 176.36 1nh0 n GLN 61 N 0.80 -4.98 -3.26 8.23 1.13 -1.16 -4.92 117.38 113.22 1nh0 n GLN 61 Ca -0.11 0.61 -0.39 0.00 -1.94 0.00 0.00 57.00 55.17 1nh0 n GLN 61 Cb 0.52 -5.21 -0.06 0.00 0.11 0.00 0.00 30.24 25.60 1nh0 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nh0 s ILE 62 N -3.61 4.91 0.06 5.09 -1.09 -0.22 -4.71 121.20 121.63 1nh0 s ILE 62 Ca 0.14 1.17 -0.26 0.00 -2.23 0.00 0.00 60.65 59.47 1nh0 s ILE 62 Cb -0.07 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 1nh0 s ILE 62 CO 0.82 0.46 0.80 -0.22 -1.23 0.00 0.00 174.94 175.57 1nh0 s LEU 63 N -0.42 4.46 -0.02 2.97 2.96 -1.26 -1.62 118.68 125.75 1nh0 s LEU 63 Ca 0.29 1.51 -0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1nh0 s LEU 63 Cb -0.18 -3.30 0.03 0.00 0.50 0.00 0.00 46.19 43.24 1nh0 s LEU 63 CO 0.16 -0.00 0.03 -0.51 -1.32 0.00 0.00 176.35 174.71 1nh0 s ILE 64 N -0.03 -0.05 -0.26 6.68 1.10 -0.50 -4.47 121.20 123.66 1nh0 s ILE 64 Ca 0.40 0.24 -0.10 0.00 -0.51 0.00 0.00 60.65 60.69 1nh0 s ILE 64 Cb -0.21 -0.11 -0.04 0.00 0.15 0.00 0.00 42.46 42.25 1nh0 s ILE 64 CO 0.24 0.11 0.14 -1.61 -2.11 0.00 0.00 174.94 171.71 1nh0 s GLU 65 N 1.25 3.89 -0.34 3.50 2.02 -0.30 -0.94 118.70 127.77 1nh0 s GLU 65 Ca -0.07 -0.36 -0.06 0.00 0.02 0.00 0.00 54.97 54.51 1nh0 s GLU 65 Cb -0.13 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 30.64 1nh0 s GLU 65 CO -0.03 -0.11 0.11 0.42 0.02 0.00 0.00 175.26 175.67 1nh0 s ILE 66 N 1.49 3.70 -1.52 -1.63 1.01 0.22 -0.70 121.20 123.77 1nh0 s ILE 66 Ca 0.07 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 1nh0 s ILE 66 Cb -0.15 -3.13 0.09 0.00 0.01 0.00 0.00 42.46 39.28 1nh0 s ILE 66 CO 0.07 -0.22 0.84 0.00 0.00 0.00 0.00 174.94 175.63 1nh0 n GLY 68 N -1.53 1.37 3.71 0.00 0.00 -1.26 -5.03 105.19 102.45 1nh0 n GLY 68 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1nh0 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nh0 s HIS 69 N -3.11 3.38 0.17 1.61 4.02 -0.11 -5.04 115.29 116.22 1nh0 s HIS 69 Ca 0.00 0.29 -0.30 0.00 1.02 0.00 0.00 55.06 56.07 1nh0 s HIS 69 Cb 0.00 -2.16 -0.07 0.00 -1.02 0.00 0.00 32.58 29.32 1nh0 s HIS 69 CO 0.00 0.25 1.09 0.21 1.02 0.00 0.00 174.74 177.31 1nh0 s LYS 70 N 0.45 4.60 0.00 1.40 2.20 -1.26 -0.61 119.74 126.52 1nh0 s LYS 70 Ca 0.07 1.70 -0.00 0.00 -0.36 0.00 0.00 55.97 57.38 1nh0 s LYS 70 Cb -0.11 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1nh0 s LYS 70 CO -0.01 0.09 -0.00 0.00 -0.36 0.00 0.00 175.35 175.06 1nh0 s ALA 71 N -0.23 0.02 -0.06 3.13 0.00 -0.12 -4.68 121.76 119.82 1nh0 s ALA 71 Ca 0.49 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1nh0 s ALA 71 Cb -0.29 0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.89 1nh0 s ALA 71 CO 0.34 -0.05 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 1nh0 s ILE 72 N -0.46 1.06 -0.75 0.00 1.01 -1.26 -1.41 121.20 119.38 1nh0 s ILE 72 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1nh0 s ILE 72 Cb -0.03 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.46 1nh0 s ILE 72 CO -0.00 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1nh0 n GLY 73 N 3.85 -1.09 3.75 6.18 0.00 -0.64 -4.88 105.19 112.36 1nh0 n GLY 73 Ca -0.23 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 1nh0 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nh0 s THR 74 N -3.00 3.30 -0.08 2.61 2.01 -1.26 -1.06 115.64 118.17 1nh0 s THR 74 Ca 0.00 1.20 0.01 0.00 0.31 0.00 0.00 61.69 63.21 1nh0 s THR 74 Cb 0.00 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1nh0 s THR 74 CO 0.00 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.40 1nh0 s VAL 75 N -0.64 0.91 -0.09 3.82 1.01 -0.34 -4.41 120.40 120.66 1nh0 s VAL 75 Ca 0.50 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1nh0 s VAL 75 Cb -0.34 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1nh0 s VAL 75 CO 0.42 0.32 0.22 -0.76 0.00 0.00 0.00 175.10 175.31 1nh0 s LEU 76 N 1.15 4.40 -0.15 3.92 1.43 -0.18 -1.01 118.68 128.24 1nh0 s LEU 76 Ca -0.06 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1nh0 s LEU 76 Cb -0.14 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1nh0 s LEU 76 CO -0.01 0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 176.03 1nh0 s VAL 77 N -0.90 2.22 -0.03 -1.59 1.01 0.03 -0.58 120.40 120.54 1nh0 s VAL 77 Ca 0.17 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1nh0 s VAL 77 Cb -0.13 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1nh0 s VAL 77 CO 0.06 0.54 0.49 0.61 0.00 0.00 0.00 175.10 176.80 1nh0 n GLY 78 N 4.10 0.29 2.00 4.51 0.00 -0.43 -1.11 105.19 114.54 1nh0 n GLY 78 Ca -0.20 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1nh0 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nh0 n PRO 79 N -0.35 1.92 -2.21 1.61 -0.04 -1.26 -4.01 135.00 130.65 1nh0 n PRO 79 Ca 0.02 -1.08 -0.37 0.00 -0.04 0.00 0.00 63.50 62.03 1nh0 n PRO 79 Cb 0.21 -1.87 -0.00 0.00 -0.04 0.00 0.00 33.50 31.79 1nh0 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nh0 s THR 80 N 0.28 3.02 0.42 0.52 -1.32 -1.26 -4.93 115.64 112.37 1nh0 s THR 80 Ca 0.56 0.74 0.19 0.00 -1.21 0.00 0.00 61.69 61.96 1nh0 s THR 80 Cb 0.28 -3.36 0.20 0.00 -1.51 0.00 0.00 72.50 68.11 1nh0 s THR 80 CO -0.03 -0.03 1.98 -0.65 -2.21 0.00 0.00 174.62 173.68 1nh0 h PRO 81 N 1.84 0.00 -3.15 7.08 0.11 -1.98 -3.45 132.00 132.45 1nh0 h PRO 81 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1nh0 h PRO 81 Cb 1.26 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.15 1nh0 h PRO 81 CO 0.59 0.20 -0.35 0.54 -0.21 0.00 0.00 178.00 178.78 1nh0 s VAL 82 N -4.38 0.05 0.17 3.15 0.11 -1.26 -5.10 120.40 113.15 1nh0 s VAL 82 Ca -0.03 -0.45 -0.32 0.00 -2.93 0.00 0.00 61.98 58.25 1nh0 s VAL 82 Cb 0.14 -0.53 -0.10 0.00 -1.53 0.00 0.00 36.38 34.36 1nh0 s VAL 82 CO 0.66 -0.25 1.58 0.20 -3.33 0.00 0.00 175.10 173.97 1nh0 s ASN 83 N -1.09 6.57 -0.09 3.54 0.01 -1.26 -4.79 114.94 117.83 1nh0 s ASN 83 Ca -0.12 2.64 0.02 0.00 -0.71 0.00 0.00 52.86 54.70 1nh0 s ASN 83 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1nh0 s ASN 83 CO 0.03 -0.83 -0.14 0.27 -1.51 0.00 0.00 177.10 174.91 1nh0 s ILE 84 N 1.11 1.38 -0.35 0.60 -4.36 0.23 -0.63 121.20 119.18 1nh0 s ILE 84 Ca 0.70 -0.59 -0.16 0.00 -0.26 0.00 0.00 60.65 60.33 1nh0 s ILE 84 Cb -0.44 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.00 1nh0 s ILE 84 CO 0.32 0.41 0.43 -0.63 0.24 0.00 0.00 174.94 175.71 1nh0 s ILE 85 N 0.83 5.10 0.36 8.37 -1.09 0.22 -1.37 121.20 133.63 1nh0 s ILE 85 Ca -0.10 0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.52 1nh0 s ILE 85 Cb -0.15 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.90 1nh0 s ILE 85 CO 0.01 -0.16 0.49 0.61 -1.23 0.00 0.00 174.94 174.67 1nh0 n GLY 86 N 4.89 1.85 0.30 6.18 0.00 -1.16 -1.10 105.19 116.15 1nh0 n GLY 86 Ca -0.07 -2.17 0.05 0.00 0.00 0.00 0.00 46.02 43.82 1nh0 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nh0 h ARG 87 N 0.00 0.44 -0.32 1.61 3.08 -0.87 -0.99 114.38 117.33 1nh0 h ARG 87 Ca -0.17 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.93 1nh0 h ARG 87 Cb 0.75 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1nh0 h ARG 87 CO 0.23 0.29 0.22 -2.95 -1.07 0.00 0.00 179.97 176.70 1nh0 h ASN 88 N 0.45 0.11 0.01 7.04 -1.07 -1.69 -1.60 115.58 118.83 1nh0 h ASN 88 Ca 0.13 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.18 1nh0 h ASN 88 Cb -0.04 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.13 1nh0 h ASN 88 CO -0.03 0.07 -2.33 0.18 0.07 0.00 0.00 177.43 175.39 1nh0 n LEU 89 N -4.47 0.01 -0.15 6.14 4.77 -0.74 -4.38 117.00 118.19 1nh0 n LEU 89 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1nh0 n LEU 89 Cb 0.31 0.43 0.27 0.00 -2.33 0.00 0.00 43.42 42.10 1nh0 n LEU 89 CO 0.35 0.43 1.16 -0.07 -1.33 0.00 0.00 177.39 177.93 1nh0 h LEU 90 N 0.00 0.75 -1.63 2.23 3.38 -0.86 -0.76 115.31 118.43 1nh0 h LEU 90 Ca -0.47 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1nh0 h LEU 90 Cb 2.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1nh0 h LEU 90 CO 0.03 0.60 -0.02 0.71 0.09 0.00 0.00 178.44 179.85 1nh0 h THR 91 N 0.86 1.11 0.00 0.22 1.35 -1.51 -2.16 112.91 112.78 1nh0 h THR 91 Ca 0.22 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1nh0 h THR 91 Cb -0.00 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1nh0 h THR 91 CO -0.04 0.14 0.00 1.56 -0.25 0.00 0.00 175.52 176.93 1nh0 h GLN 92 N 0.21 0.00 -0.19 4.72 1.08 -1.34 -2.71 115.11 116.88 1nh0 h GLN 92 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1nh0 h GLN 92 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1nh0 h GLN 92 CO 0.00 0.00 0.00 0.44 -0.95 0.00 0.00 178.83 178.32 1nh0 n ILE 93 N -2.89 0.32 -2.19 2.54 -5.35 -1.06 -4.84 119.36 105.89 1nh0 n ILE 93 Ca 0.02 -0.66 -0.07 0.00 -0.27 0.00 0.00 62.75 61.77 1nh0 n ILE 93 Cb 0.35 1.10 -0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1nh0 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nh0 n GLY 94 N 1.05 0.10 3.74 3.28 0.00 -1.02 -4.99 105.19 107.35 1nh0 n GLY 94 Ca 0.13 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1nh0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh0 s THR 96 N -0.47 0.60 -0.19 0.00 -4.23 -1.26 -4.77 115.64 105.33 1nh0 s THR 96 Ca 0.49 -1.41 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1nh0 s THR 96 Cb -0.31 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 1nh0 s THR 96 CO 0.37 -0.57 0.39 -0.76 -0.54 0.00 0.00 174.62 173.51 1nh0 s LEU 97 N -2.14 4.18 -0.07 4.79 1.43 -1.26 -5.09 118.68 120.52 1nh0 s LEU 97 Ca -0.02 0.54 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1nh0 s LEU 97 Cb -0.04 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.67 1nh0 s LEU 97 CO -0.02 -0.04 -0.17 0.20 0.23 0.00 0.00 176.35 176.55 1nh0 s ASN 98 N 0.92 2.26 0.00 2.29 0.02 -1.26 -5.30 114.94 113.87 1nh0 s ASN 98 Ca 0.19 -0.39 0.00 0.00 -1.02 0.00 0.00 52.86 51.64 1nh0 s ASN 98 Cb -0.14 -0.98 0.00 0.00 0.02 0.00 0.00 41.25 40.15 1nh0 s ASN 98 CO 0.08 0.09 0.00 2.22 0.02 0.00 0.00 177.10 179.51