#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1id5 n PRO 6 N 0.00 2.35 -0.26 2.61 -0.04 -1.26 -4.88 135.00 133.52 1id5 n PRO 6 Ca 0.00 0.83 0.24 0.00 -0.04 0.00 0.00 63.50 64.53 1id5 n PRO 6 Cb 0.00 -2.52 0.58 0.00 -0.04 0.00 0.00 33.50 31.53 1id5 n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1id5 h LEU 7 N 3.77 0.29 -2.89 1.53 5.85 -2.01 0.31 115.31 122.15 1id5 h LEU 7 Ca -0.47 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1id5 h LEU 7 Cb 1.26 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1id5 h LEU 7 CO 0.72 0.09 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.57 1id5 h GLU 8 N 0.27 0.00 0.00 1.25 3.07 -1.90 -0.13 114.58 117.14 1id5 h GLU 8 Ca 0.50 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.32 1id5 h GLU 8 Cb 1.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 1id5 h GLU 8 CO -0.15 0.00 -0.22 0.87 -1.40 0.00 0.00 179.01 178.11 1id5 h LYS 9 N 0.00 0.00 0.08 2.33 1.79 -0.73 -3.27 116.57 116.77 1id5 h LYS 9 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1id5 h LYS 9 Cb 0.01 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 1id5 h LYS 9 CO 0.00 0.22 -1.80 -0.89 -1.08 0.00 0.00 179.45 175.90 1id5 n ILE 10 N -3.50 1.69 -3.53 1.86 5.41 -0.08 -5.05 119.36 116.15 1id5 n ILE 10 Ca -0.01 -0.44 -0.07 0.00 1.00 0.00 0.00 62.75 63.23 1id5 n ILE 10 Cb 0.39 -1.83 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 1id5 n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1id5 s ALA 11 N -2.49 -1.90 0.00 -1.39 0.00 -1.08 -5.05 121.76 109.84 1id5 s ALA 11 Ca -0.25 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 1id5 s ALA 11 Cb 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.33 1id5 s ALA 11 CO 0.70 -0.64 1.49 -2.30 0.00 0.00 0.00 175.76 175.01 1id5 n PRO 12 N -0.14 0.74 -1.65 0.00 -0.02 -1.26 -4.10 135.00 128.56 1id5 n PRO 12 Ca -0.06 -0.18 -0.46 0.00 -2.02 0.00 0.00 63.50 60.78 1id5 n PRO 12 Cb 0.60 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.65 1id5 n PRO 12 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1id5 n TYR 13 N 2.04 2.08 -0.54 6.00 4.02 -1.26 -4.90 117.16 124.59 1id5 n TYR 13 Ca 0.08 0.40 -0.28 0.00 -0.01 0.00 0.00 57.90 58.09 1id5 n TYR 13 Cb 0.36 -2.47 0.20 0.00 -0.02 0.00 0.00 39.34 37.40 1id5 n TYR 13 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1id5 n PRO 14 N 2.65 -2.39 -4.02 -0.72 -0.02 -1.26 -4.95 135.00 124.29 1id5 n PRO 14 Ca 0.15 -0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 60.59 1id5 n PRO 14 Cb 0.28 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1id5 n PRO 14 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1id5 s GLN 15 N -3.79 3.27 0.33 -0.52 -1.52 -1.26 -5.06 119.66 111.11 1id5 s GLN 15 Ca 0.54 -0.33 -0.27 0.00 -1.95 0.00 0.00 55.36 53.35 1id5 s GLN 15 Cb -0.12 -3.01 -0.13 0.00 -0.22 0.00 0.00 33.01 29.53 1id5 s GLN 15 CO 0.56 0.70 1.13 0.00 -0.25 0.00 0.00 175.29 177.43 1id5 n ALA 16 N 1.46 0.48 -1.00 6.09 0.00 -1.26 -4.99 120.51 121.28 1id5 n ALA 16 Ca -0.15 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1id5 n ALA 16 Cb 0.53 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1id5 n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1id5 n GLU 17 N 0.55 -0.45 -2.57 0.00 -0.58 -1.26 -4.89 120.64 111.44 1id5 n GLU 17 Ca 0.07 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 1id5 n GLU 17 Cb 0.35 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.19 1id5 n GLU 17 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1id5 s LYS 18 N -2.53 4.48 -0.76 3.49 -2.85 -1.26 -2.86 119.74 117.44 1id5 s LYS 18 Ca 0.00 1.58 0.00 0.00 -1.00 0.00 0.00 55.97 56.55 1id5 s LYS 18 Cb 0.00 -3.44 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 1id5 s LYS 18 CO 0.00 -0.20 0.00 0.41 0.10 0.00 0.00 175.35 175.66 1id5 n GLY 19 N 3.09 0.44 3.08 0.59 0.00 -1.26 -5.01 105.19 106.12 1id5 n GLY 19 Ca 0.08 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1id5 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1id5 s MET 20 N -3.68 0.58 0.04 1.61 1.00 -1.13 -1.62 119.30 116.10 1id5 s MET 20 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 55.69 54.77 1id5 s MET 20 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.66 1id5 s MET 20 CO 0.00 -0.00 -0.07 -1.59 0.00 0.00 0.00 175.02 173.35 1id5 s LYS 21 N -2.44 0.52 -0.25 2.03 -2.85 0.15 -4.39 119.74 112.52 1id5 s LYS 21 Ca -0.03 -0.78 -0.08 0.00 -1.00 0.00 0.00 55.97 54.08 1id5 s LYS 21 Cb -0.04 -0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 1id5 s LYS 21 CO -0.02 0.04 0.11 0.50 0.10 0.00 0.00 175.35 176.07 1id5 s ARG 22 N -1.70 3.79 0.21 1.78 3.52 -1.26 -1.44 118.95 123.84 1id5 s ARG 22 Ca -0.09 -0.41 0.10 0.00 -0.13 0.00 0.00 55.73 55.19 1id5 s ARG 22 Cb -0.09 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1id5 s ARG 22 CO -0.00 -0.13 -0.12 1.14 -0.81 0.00 0.00 175.30 175.38 1id5 s GLN 23 N 1.52 1.97 0.13 5.12 0.00 -0.65 -5.03 119.66 122.73 1id5 s GLN 23 Ca 0.06 -1.39 0.05 0.00 -0.00 0.00 0.00 55.36 54.08 1id5 s GLN 23 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 33.01 30.75 1id5 s GLN 23 CO 0.06 0.41 -0.11 0.08 0.00 0.00 0.00 175.29 175.72 1id5 s VAL 24 N -1.89 1.18 -0.12 3.63 1.01 -1.26 -2.24 120.40 120.71 1id5 s VAL 24 Ca 0.26 -1.92 -0.02 0.00 0.00 0.00 0.00 61.98 60.30 1id5 s VAL 24 Cb -0.08 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1id5 s VAL 24 CO 0.15 -0.64 0.02 -0.63 0.00 0.00 0.00 175.10 174.00 1id5 s ILE 25 N -2.91 0.39 -0.44 2.22 1.01 -0.66 -4.97 121.20 115.85 1id5 s ILE 25 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 1id5 s ILE 25 Cb -0.00 -0.71 0.12 0.00 0.01 0.00 0.00 42.46 41.87 1id5 s ILE 25 CO 0.01 0.05 0.23 -1.58 0.00 0.00 0.00 174.94 173.66 1id5 s GLN 26 N 1.95 2.05 0.75 2.79 2.00 -1.26 -1.31 119.66 126.62 1id5 s GLN 26 Ca 0.03 -1.93 -0.11 0.00 -2.00 0.00 0.00 55.36 51.34 1id5 s GLN 26 Cb -0.14 -3.58 0.04 0.00 0.80 0.00 0.00 33.01 30.13 1id5 s GLN 26 CO -0.06 -1.08 1.10 -0.51 -0.50 0.00 0.00 175.29 174.23 1id5 s LEU 27 N 0.95 3.11 0.12 3.68 1.43 -1.26 -5.04 118.68 121.67 1id5 s LEU 27 Ca 0.10 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1id5 s LEU 27 Cb -0.22 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 1id5 s LEU 27 CO -0.04 -1.96 0.35 0.42 0.23 0.00 0.00 176.35 175.35 1id5 s THR 28 N -2.78 5.20 0.61 5.49 -4.23 -1.26 -4.79 115.64 113.88 1id5 s THR 28 Ca 0.62 -0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.93 1id5 s THR 28 Cb -0.18 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 1id5 s THR 28 CO 0.53 0.08 1.29 -2.84 -0.54 0.00 0.00 174.62 173.14 1id5 s PRO 29 N -2.57 2.82 -0.03 3.99 0.02 -1.26 -4.78 135.00 133.18 1id5 s PRO 29 Ca 0.39 2.06 -0.02 0.00 0.02 0.00 0.00 61.00 63.45 1id5 s PRO 29 Cb -0.12 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.42 1id5 s PRO 29 CO 0.25 -1.39 0.07 -0.65 -0.33 0.00 0.00 177.00 174.94 1id5 s GLN 30 N -3.23 0.08 0.58 5.54 -1.52 -1.26 -5.02 119.66 114.83 1id5 s GLN 30 Ca 0.78 0.09 0.33 0.00 -1.95 0.00 0.00 55.36 54.61 1id5 s GLN 30 Cb -0.37 0.04 1.33 0.00 -0.22 0.00 0.00 33.01 33.79 1id5 s GLN 30 CO 0.40 -0.01 1.62 1.05 -0.25 0.00 0.00 175.29 178.10 1id5 h GLU 31 N 6.05 0.00 -1.28 2.91 4.11 -2.07 -3.32 114.58 120.98 1id5 h GLU 31 Ca -0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.13 1id5 h GLU 31 Cb 1.21 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.22 1id5 h GLU 31 CO 0.47 0.00 -0.44 0.34 0.07 0.00 0.00 179.01 179.45 1id5 s ASP 32 N -4.37 -0.82 0.00 3.06 2.15 -1.26 -5.01 116.67 110.42 1id5 s ASP 32 Ca -0.04 -0.00 0.28 0.00 0.43 0.00 0.00 52.55 53.22 1id5 s ASP 32 Cb 0.18 1.67 1.03 0.00 -0.30 0.00 0.00 42.92 45.51 1id5 s ASP 32 CO 0.62 -0.32 1.73 -0.62 -0.17 0.00 0.00 175.17 176.42 1id5 n GLU 33 N 5.39 1.40 0.23 4.34 1.02 -1.25 -3.93 120.64 127.84 1id5 n GLU 33 Ca 0.03 -0.77 0.16 0.00 -0.02 0.00 0.00 57.16 56.55 1id5 n GLU 33 Cb 0.52 -1.48 0.63 0.00 -0.02 0.00 0.00 31.44 31.09 1id5 n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1id5 h SER 34 N 1.89 0.00 -0.37 1.62 4.64 -1.94 -2.20 113.55 117.19 1id5 h SER 34 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1id5 h SER 34 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 1id5 h SER 34 CO 0.00 0.00 0.02 0.35 -0.87 0.00 0.00 176.83 176.33 1id5 n THR 35 N -2.83 2.46 -4.36 2.95 -2.24 -1.25 -4.96 114.28 104.03 1id5 n THR 35 Ca 0.01 -1.82 -0.26 0.00 -2.27 0.00 0.00 64.05 59.71 1id5 n THR 35 Cb 0.28 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 1id5 n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1id5 s LEU 36 N -2.86 2.30 0.05 3.22 1.02 -0.83 -0.87 118.68 120.71 1id5 s LEU 36 Ca 0.46 -0.70 -0.05 0.00 0.02 0.00 0.00 54.13 53.86 1id5 s LEU 36 Cb 0.37 -1.03 -0.02 0.00 0.02 0.00 0.00 46.19 45.54 1id5 s LEU 36 CO 0.10 0.12 0.08 -0.54 0.02 0.00 0.00 176.35 176.13 1id5 s LYS 37 N -1.90 0.65 -0.11 1.70 1.02 -0.37 -2.51 119.74 118.21 1id5 s LYS 37 Ca 0.09 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.20 1id5 s LYS 37 Cb -0.10 0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.47 1id5 s LYS 37 CO 0.05 -0.16 -0.21 0.08 -0.92 0.00 0.00 175.35 174.18 1id5 s VAL 38 N -3.21 1.93 -0.25 3.17 1.01 -0.46 -0.41 120.40 122.18 1id5 s VAL 38 Ca 0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1id5 s VAL 38 Cb 0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1id5 s VAL 38 CO -0.07 0.53 0.09 -0.70 0.00 0.00 0.00 175.10 174.94 1id5 s GLU 39 N 0.62 3.71 0.36 2.72 2.12 0.13 -0.78 118.70 127.58 1id5 s GLU 39 Ca -0.13 -0.45 -0.25 0.00 0.36 0.00 0.00 54.97 54.51 1id5 s GLU 39 Cb -0.17 -3.38 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 1id5 s GLU 39 CO 0.03 -0.18 0.99 -0.51 -0.54 0.00 0.00 175.26 175.05 1id5 s LEU 40 N 1.62 4.25 -0.38 2.70 1.43 -0.00 -1.39 118.68 126.89 1id5 s LEU 40 Ca 0.06 1.91 0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1id5 s LEU 40 Cb -0.15 -4.10 0.12 0.00 0.03 0.00 0.00 46.19 42.09 1id5 s LEU 40 CO 0.05 -0.24 0.19 -0.76 0.23 0.00 0.00 176.35 175.81 1id5 s LEU 41 N -2.32 2.32 -0.15 1.79 1.43 -0.13 -4.94 118.68 116.68 1id5 s LEU 41 Ca 0.54 -2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 51.29 1id5 s LEU 41 Cb -0.20 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1id5 s LEU 41 CO 0.25 -0.32 0.20 -0.63 0.23 0.00 0.00 176.35 176.08 1id5 s ILE 42 N 0.87 5.38 -0.95 -0.59 1.01 -1.26 -1.06 121.20 124.60 1id5 s ILE 42 Ca 0.15 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1id5 s ILE 42 Cb -0.22 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1id5 s ILE 42 CO -0.08 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1id5 n GLY 43 N 2.88 -1.16 3.24 6.18 0.00 -0.68 -0.84 105.19 114.83 1id5 n GLY 43 Ca -0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.84 1id5 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1id5 s GLN 44 N -0.38 1.03 -0.93 1.61 -0.21 -0.48 -0.20 119.66 120.10 1id5 s GLN 44 Ca 0.00 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 53.96 1id5 s GLN 44 Cb 0.00 -0.80 0.24 0.00 1.00 0.00 0.00 33.01 33.45 1id5 s GLN 44 CO 0.00 0.14 0.89 0.99 -2.12 0.00 0.00 175.29 175.19 1id5 s THR 45 N -2.55 5.62 0.43 -0.19 2.01 -1.26 0.75 115.64 120.45 1id5 s THR 45 Ca 0.12 -2.94 0.08 0.00 0.31 0.00 0.00 61.69 59.25 1id5 s THR 45 Cb -0.02 -4.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 1id5 s THR 45 CO 0.02 -1.09 0.38 -0.76 -0.69 0.00 0.00 174.62 172.49 1id5 s LEU 46 N -0.49 3.31 -0.48 4.42 1.43 -0.91 -4.87 118.68 121.10 1id5 s LEU 46 Ca 0.23 -0.81 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 1id5 s LEU 46 Cb -0.10 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1id5 s LEU 46 CO -0.09 -0.70 0.77 -1.83 0.23 0.00 0.00 176.35 174.73 1id5 s GLU 47 N -4.14 3.33 0.20 1.70 4.04 -1.26 -2.14 118.70 120.42 1id5 s GLU 47 Ca 0.47 -0.30 0.11 0.00 0.04 0.00 0.00 54.97 55.29 1id5 s GLU 47 Cb -0.03 -3.99 -0.04 0.00 0.02 0.00 0.00 34.13 30.09 1id5 s GLU 47 CO 0.27 -1.19 -0.22 0.14 -1.84 0.00 0.00 175.26 172.41 1id5 s VAL 48 N 3.26 2.27 0.00 1.83 -7.23 -1.23 -4.97 120.40 114.33 1id5 s VAL 48 Ca 0.27 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1id5 s VAL 48 Cb -0.14 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.70 1id5 s VAL 48 CO 0.20 -0.19 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 1id5 n ASP 49 N 0.14 0.00 -0.28 4.85 3.85 -1.26 -4.32 116.55 119.54 1id5 n ASP 49 Ca -0.12 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 54.11 1id5 n ASP 49 Cb 0.57 0.00 0.63 0.00 -1.35 0.00 0.00 41.12 40.96 1id5 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1id5 s ASN 51 N -2.14 6.45 0.21 0.00 0.01 -1.26 -5.04 114.94 113.17 1id5 s ASN 51 Ca 0.37 1.13 -0.30 0.00 -0.71 0.00 0.00 52.86 53.35 1id5 s ASN 51 Cb 0.21 -2.33 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 1id5 s ASN 51 CO 0.39 -0.49 1.30 -0.22 -1.51 0.00 0.00 177.10 176.57 1id5 s LEU 52 N -4.17 4.42 0.03 0.60 2.96 -1.26 -4.86 118.68 116.41 1id5 s LEU 52 Ca 0.51 2.42 0.07 0.00 -0.22 0.00 0.00 54.13 56.91 1id5 s LEU 52 Cb -0.10 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1id5 s LEU 52 CO 0.36 -0.51 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.67 1id5 s HIS 53 N -0.05 1.83 -0.09 5.38 3.76 -1.26 -1.82 115.29 123.04 1id5 s HIS 53 Ca 0.55 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.99 1id5 s HIS 53 Cb -0.37 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.24 1id5 s HIS 53 CO 0.40 0.07 0.27 1.03 -0.85 0.00 0.00 174.74 175.66 1id5 s ARG 54 N -1.06 0.38 0.08 1.40 1.81 -0.59 -4.60 118.95 116.36 1id5 s ARG 54 Ca 0.08 0.27 -0.09 0.00 -1.72 0.00 0.00 55.73 54.26 1id5 s ARG 54 Cb -0.09 0.18 -0.06 0.00 -0.45 0.00 0.00 34.95 34.53 1id5 s ARG 54 CO 0.01 -0.06 0.39 -0.51 -0.68 0.00 0.00 175.30 174.46 1id5 s LEU 55 N -0.13 4.34 0.07 2.53 1.43 -0.33 0.48 118.68 127.07 1id5 s LEU 55 Ca -0.03 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1id5 s LEU 55 Cb -0.03 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1id5 s LEU 55 CO 0.01 0.16 0.19 -0.83 0.23 0.00 0.00 176.35 176.11 1id5 s GLY 56 N -1.83 2.15 -0.06 -3.19 0.00 -1.26 -3.47 107.32 99.66 1id5 s GLY 56 Ca 0.34 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 1id5 s GLY 56 CO 0.19 -0.85 1.35 -0.32 0.00 0.00 0.00 173.10 173.46 1id5 s GLY 57 N -2.52 -0.30 -0.14 0.20 0.00 -1.26 -0.86 107.32 102.44 1id5 s GLY 57 Ca 0.34 0.42 0.02 0.00 0.00 0.00 0.00 44.72 45.50 1id5 s GLY 57 CO 0.27 3.64 -0.20 1.25 0.00 0.00 0.00 173.10 178.06 1id5 s LYS 58 N -2.09 3.09 -0.25 2.90 2.20 -0.63 -4.98 119.74 119.98 1id5 s LYS 58 Ca 0.24 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1id5 s LYS 58 Cb 0.03 -2.49 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 1id5 s LYS 58 CO -0.03 0.02 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.72 1id5 s LEU 59 N 0.75 3.30 -0.05 5.43 1.98 -1.26 -1.60 118.68 127.24 1id5 s LEU 59 Ca -0.08 -1.11 0.05 0.00 -2.89 0.00 0.00 54.13 50.10 1id5 s LEU 59 Cb -0.16 -1.61 -0.01 0.00 0.66 0.00 0.00 46.19 45.07 1id5 s LEU 59 CO 0.00 -0.16 -0.21 -0.70 -1.89 0.00 0.00 176.35 173.39 1id5 s GLU 60 N 1.23 2.07 -0.12 1.98 2.12 -0.01 -4.98 118.70 120.99 1id5 s GLU 60 Ca -0.04 -0.74 -0.18 0.00 0.36 0.00 0.00 54.97 54.37 1id5 s GLU 60 Cb -0.18 -1.79 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 1id5 s GLU 60 CO -0.05 0.32 0.49 1.21 -0.54 0.00 0.00 175.26 176.69 1id5 s ASN 61 N -0.10 6.70 0.17 -1.70 2.47 -1.26 -1.02 114.94 120.20 1id5 s ASN 61 Ca -0.02 0.83 0.09 0.00 0.42 0.00 0.00 52.86 54.18 1id5 s ASN 61 Cb -0.12 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.35 1id5 s ASN 61 CO 0.02 -0.01 -0.20 -0.54 -3.72 0.00 0.00 177.10 172.66 1id5 s LYS 62 N 0.64 1.34 -0.01 0.43 -0.14 0.43 -4.97 119.74 117.46 1id5 s LYS 62 Ca 0.26 -1.44 0.01 0.00 -1.36 0.00 0.00 55.97 53.44 1id5 s LYS 62 Cb -0.15 -1.47 -0.04 0.00 -1.68 0.00 0.00 37.83 34.49 1id5 s LYS 62 CO 0.11 0.31 0.02 0.99 -0.76 0.00 0.00 175.35 176.01 1id5 s THR 63 N -1.93 4.32 -0.54 2.17 2.01 -1.26 -0.93 115.64 119.47 1id5 s THR 63 Ca 0.17 -0.52 -0.26 0.00 0.31 0.00 0.00 61.69 61.39 1id5 s THR 63 Cb -0.06 -2.93 0.04 0.00 0.01 0.00 0.00 72.50 69.55 1id5 s THR 63 CO 0.08 0.39 1.00 -0.22 -0.69 0.00 0.00 174.62 175.18 1id5 s LEU 64 N -1.55 3.91 -0.02 4.42 0.20 0.20 -4.97 118.68 120.87 1id5 s LEU 64 Ca 0.20 -0.12 -0.40 0.00 0.69 0.00 0.00 54.13 54.50 1id5 s LEU 64 Cb -0.12 -3.01 -0.19 0.00 -0.43 0.00 0.00 46.19 42.44 1id5 s LEU 64 CO 0.10 -1.25 1.17 -0.62 -0.29 0.00 0.00 176.35 175.46 1id5 n GLU 65 N 7.65 0.24 0.00 1.98 1.02 -1.26 -1.19 120.64 129.08 1id5 n GLU 65 Ca 0.05 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1id5 n GLU 65 Cb 0.48 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1id5 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1id5 n GLY 66 N 1.90 2.75 0.10 0.62 0.00 -1.26 -4.83 105.19 104.48 1id5 n GLY 66 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1id5 n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1id5 n TRP 67 N -2.00 0.00 -0.89 1.61 7.02 -0.34 -4.98 117.44 117.86 1id5 n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1id5 n TRP 67 Cb 0.00 -0.94 0.00 0.00 -2.42 0.00 0.00 31.31 27.95 1id5 n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1id5 n GLY 68 N 2.01 0.60 3.87 6.99 0.00 -1.22 -5.02 105.19 112.41 1id5 n GLY 68 Ca -0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1id5 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1id5 s TYR 69 N -2.22 3.62 0.31 1.61 1.51 -1.26 -4.96 117.35 115.97 1id5 s TYR 69 Ca 0.00 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 56.77 1id5 s TYR 69 Cb 0.00 -2.03 -0.06 0.00 -0.11 0.00 0.00 41.96 39.75 1id5 s TYR 69 CO 0.00 0.68 -0.03 0.16 -1.11 0.00 0.00 175.55 175.26 1id5 s ASP 70 N -1.23 2.86 0.24 2.29 -4.77 -1.26 0.59 116.67 115.39 1id5 s ASP 70 Ca 0.21 -1.25 -0.16 0.00 -3.30 0.00 0.00 52.55 48.04 1id5 s ASP 70 Cb -0.13 -0.19 0.01 0.00 -1.09 0.00 0.00 42.92 41.52 1id5 s ASP 70 CO 0.10 -0.40 0.55 -0.72 0.70 0.00 0.00 175.17 175.40 1id5 s TYR 71 N -3.02 0.07 0.02 2.11 -0.85 -0.11 -4.65 117.35 110.92 1id5 s TYR 71 Ca 0.32 -0.45 0.05 0.00 -0.52 0.00 0.00 57.07 56.47 1id5 s TYR 71 Cb 0.05 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1id5 s TYR 71 CO 0.14 -1.03 -0.13 0.71 -1.52 0.00 0.00 175.55 173.72 1id5 s TYR 72 N -3.95 2.72 -0.10 -3.49 1.51 0.78 -0.43 117.35 114.39 1id5 s TYR 72 Ca 0.15 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1id5 s TYR 72 Cb -0.02 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1id5 s TYR 72 CO 0.05 0.30 -0.13 0.08 -1.11 0.00 0.00 175.55 174.74 1id5 s VAL 73 N -0.95 1.29 -0.20 0.71 1.01 -0.19 0.19 120.40 122.25 1id5 s VAL 73 Ca 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1id5 s VAL 73 Cb -0.11 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1id5 s VAL 73 CO 0.06 0.40 -0.17 0.12 0.00 0.00 0.00 175.10 175.51 1id5 s PHE 74 N 1.05 2.91 0.00 5.22 5.36 -0.09 -0.83 117.98 131.60 1id5 s PHE 74 Ca -0.06 -1.85 0.00 0.00 -0.96 0.00 0.00 56.93 54.06 1id5 s PHE 74 Cb -0.15 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 1id5 s PHE 74 CO -0.02 -0.83 0.00 -0.40 -1.46 0.00 0.00 175.22 172.52 1id5 n ASP 75 N 4.57 0.00 -4.08 6.13 5.75 -0.62 -4.03 116.55 124.26 1id5 n ASP 75 Ca -0.19 -0.73 -0.34 0.00 -0.01 0.00 0.00 54.79 53.53 1id5 n ASP 75 Cb 0.48 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 1id5 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1id5 n LYS 76 N 0.00 -3.06 -2.21 0.11 5.02 -1.26 -1.60 118.16 115.16 1id5 n LYS 76 Ca 0.00 0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 1id5 n LYS 76 Cb 0.00 -5.09 -0.03 0.00 -0.02 0.00 0.00 35.03 29.89 1id5 n LYS 76 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1id5 s VAL 77 N -3.19 3.26 0.40 -0.18 0.11 -1.26 -4.29 120.40 115.25 1id5 s VAL 77 Ca 0.69 0.99 0.08 0.00 -2.93 0.00 0.00 61.98 60.81 1id5 s VAL 77 Cb -0.38 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 1id5 s VAL 77 CO 0.85 0.13 0.30 -0.94 -3.33 0.00 0.00 175.10 172.10 1id5 s SER 78 N 0.57 4.87 0.42 3.54 1.04 -0.04 -4.97 113.70 119.13 1id5 s SER 78 Ca 0.59 -0.82 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 1id5 s SER 78 Cb -0.36 -0.59 -0.11 0.00 0.10 0.00 0.00 66.02 65.06 1id5 s SER 78 CO 0.36 -0.57 0.98 -0.24 0.98 0.00 0.00 173.24 174.75 1id5 n SER 79 N -1.42 1.11 -4.67 7.02 2.88 -1.26 -4.07 113.62 113.22 1id5 n SER 79 Ca 0.01 1.02 -0.42 0.00 -1.33 0.00 0.00 58.87 58.16 1id5 n SER 79 Cb 0.62 -1.34 -0.03 0.00 -0.75 0.00 0.00 64.21 62.72 1id5 n SER 79 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1id5 s PRO 80 N -2.00 4.14 0.49 -1.46 0.02 -1.26 -4.53 135.00 130.39 1id5 s PRO 80 Ca 0.63 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 64.19 1id5 s PRO 80 Cb -0.56 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 29.97 1id5 s PRO 80 CO 0.57 -0.92 0.83 0.14 -0.33 0.00 0.00 177.00 177.29 1id5 s VAL 81 N 3.82 4.84 0.19 3.83 -7.23 0.18 -4.81 120.40 121.21 1id5 s VAL 81 Ca 0.86 0.44 -0.23 0.00 -1.81 0.00 0.00 61.98 61.24 1id5 s VAL 81 Cb -0.44 -3.83 0.06 0.00 0.56 0.00 0.00 36.38 32.73 1id5 s VAL 81 CO 0.40 -0.82 0.64 -0.94 -0.31 0.00 0.00 175.10 174.07 1id5 s SER 82 N -3.86 -0.49 0.92 4.85 1.04 -1.26 -1.55 113.70 113.36 1id5 s SER 82 Ca 0.50 -0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.65 1id5 s SER 82 Cb -0.10 0.63 0.15 0.00 0.10 0.00 0.00 66.02 66.79 1id5 s SER 82 CO 0.43 -1.05 1.14 0.42 0.98 0.00 0.00 173.24 175.16 1id5 s THR 83 N -3.77 1.98 -0.38 2.02 -4.23 -0.76 -4.99 115.64 105.52 1id5 s THR 83 Ca 0.04 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.62 1id5 s THR 83 Cb -0.02 -2.75 0.44 0.00 1.34 0.00 0.00 72.50 71.50 1id5 s THR 83 CO -0.08 0.00 1.13 0.54 -0.54 0.00 0.00 174.62 175.67 1id5 n ARG 84 N -3.80 3.32 -1.96 3.99 1.74 -1.26 -4.75 116.66 113.95 1id5 n ARG 84 Ca 0.07 -4.30 -0.30 0.00 -0.77 0.00 0.00 57.85 52.56 1id5 n ARG 84 Cb 0.59 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1id5 n ARG 84 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1id5 s MET 85 N -3.55 3.10 0.33 5.56 -1.94 -1.26 -5.05 119.30 116.50 1id5 s MET 85 Ca 0.47 0.49 -0.21 0.00 -1.71 0.00 0.00 55.69 54.74 1id5 s MET 85 Cb 0.40 -2.07 -0.10 0.00 2.01 0.00 0.00 34.83 35.07 1id5 s MET 85 CO -0.09 -0.84 0.85 0.00 -0.01 0.00 0.00 175.02 174.92 1id5 s ALA 86 N -3.25 3.23 -0.06 3.03 0.00 -1.26 -4.91 121.76 118.54 1id5 s ALA 86 Ca 0.56 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.88 1id5 s ALA 86 Cb -0.11 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1id5 s ALA 86 CO 0.51 0.23 -0.24 0.00 0.00 0.00 0.00 175.76 176.27 1id5 n PRO 88 N 2.97 0.00 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.81 1id5 n PRO 88 Ca -0.18 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1id5 n PRO 88 Cb 0.52 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 1id5 n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1id5 n ASP 89 N -0.07 0.00 -4.34 3.54 5.68 -1.26 -5.08 116.55 115.03 1id5 n ASP 89 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.08 1id5 n ASP 89 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1id5 n ASP 89 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1id5 s GLY 90 N 0.00 1.41 0.00 6.12 0.00 -1.26 -5.02 107.32 108.56 1id5 s GLY 90 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1id5 s GLY 90 CO 0.00 -1.59 0.00 0.28 0.00 0.00 0.00 173.10 171.79 1id5 n LYS 91 N 0.13 0.00 0.00 2.90 4.01 -1.26 -4.83 118.16 119.11 1id5 n LYS 91 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 1id5 n LYS 91 Cb 0.58 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.10 1id5 n LYS 91 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1id5 n LYS 92 N 0.00 0.00 0.00 1.97 2.85 -1.26 -4.63 118.16 117.09 1id5 n LYS 92 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1id5 n LYS 92 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1id5 n LYS 92 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1id5 n GLU 93 N 12.25 0.00 -3.53 -1.58 0.28 -1.26 -4.32 120.64 122.47 1id5 n GLU 93 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 1id5 n GLU 93 Cb 0.00 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.80 1id5 n GLU 93 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1id5 s LYS 94 N 0.00 4.25 0.17 3.44 -0.14 -1.26 -3.50 119.74 122.70 1id5 s LYS 94 Ca 0.00 0.09 0.04 0.00 -1.36 0.00 0.00 55.97 54.73 1id5 s LYS 94 Cb 0.00 -3.44 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1id5 s LYS 94 CO 0.00 0.21 -0.07 0.15 -0.76 0.00 0.00 175.35 174.88 1id5 s LYS 95 N 0.57 1.13 -0.62 1.68 1.02 -0.91 -5.00 119.74 117.62 1id5 s LYS 95 Ca 0.16 -1.51 -0.20 0.00 0.02 0.00 0.00 55.97 54.43 1id5 s LYS 95 Cb -0.13 -0.59 0.09 0.00 -0.52 0.00 0.00 37.83 36.68 1id5 s LYS 95 CO 0.04 0.01 0.81 0.12 -0.92 0.00 0.00 175.35 175.41 1id5 s PHE 96 N -3.38 2.87 -0.70 3.18 5.36 -1.26 -2.14 117.98 121.91 1id5 s PHE 96 Ca 0.20 -0.80 -0.27 0.00 -0.96 0.00 0.00 56.93 55.10 1id5 s PHE 96 Cb 0.04 -4.12 0.03 0.00 -0.34 0.00 0.00 43.02 38.62 1id5 s PHE 96 CO 0.03 -1.43 1.30 0.08 -1.46 0.00 0.00 175.22 173.74 1id5 s VAL 97 N 3.23 3.75 0.60 3.12 1.01 0.23 -4.85 120.40 127.48 1id5 s VAL 97 Ca 0.16 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1id5 s VAL 97 Cb -0.21 -4.82 0.03 0.00 0.00 0.00 0.00 36.38 31.37 1id5 s VAL 97 CO 0.08 -1.71 0.88 0.42 0.00 0.00 0.00 175.10 174.77 1id5 s THR 98 N 5.80 3.10 0.16 3.92 -4.23 -1.26 -1.38 115.64 121.76 1id5 s THR 98 Ca 0.39 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1id5 s THR 98 Cb -0.08 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 1id5 s THR 98 CO 0.17 -0.22 0.13 0.00 -0.54 0.00 0.00 174.62 174.15 1id5 s ALA 99 N -2.97 3.55 -0.29 3.99 0.00 -0.02 -1.18 121.76 124.84 1id5 s ALA 99 Ca 0.56 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1id5 s ALA 99 Cb -0.10 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1id5 s ALA 99 CO 0.43 0.52 1.11 0.71 0.00 0.00 0.00 175.76 178.52 1id5 s TYR 100 N -1.73 3.11 -1.41 0.00 2.02 -1.23 -4.78 117.35 113.34 1id5 s TYR 100 Ca 0.31 1.20 0.22 0.00 -0.37 0.00 0.00 57.07 58.42 1id5 s TYR 100 Cb -0.10 -3.63 -0.14 0.00 -0.40 0.00 0.00 41.96 37.69 1id5 s TYR 100 CO 0.23 -0.88 0.97 1.28 -1.57 0.00 0.00 175.55 175.58 1id5 n LEU 101 N 6.84 1.41 0.00 -1.29 4.32 -1.26 -4.85 117.00 122.17 1id5 n LEU 101 Ca 0.12 -0.60 0.00 0.00 -0.02 0.00 0.00 56.01 55.51 1id5 n LEU 101 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1id5 n LEU 101 CO 0.58 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.66 1id5 n GLY 102 N 1.47 0.36 0.12 -0.72 0.00 -1.26 -2.91 105.19 102.25 1id5 n GLY 102 Ca 0.06 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1id5 n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1id5 n ASP 103 N -1.75 0.68 0.02 1.61 8.00 -1.26 -2.82 116.55 121.03 1id5 n ASP 103 Ca 0.00 0.64 0.09 0.00 0.71 0.00 0.00 54.79 56.23 1id5 n ASP 103 Cb 0.00 -0.79 0.41 0.00 -0.02 0.00 0.00 41.12 40.71 1id5 n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1id5 n ALA 104 N -1.77 1.85 1.32 2.24 0.00 -1.15 -3.07 120.51 119.94 1id5 n ALA 104 Ca 0.03 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1id5 n ALA 104 Cb 0.28 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.50 1id5 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1id5 n GLY 105 N 0.42 0.00 3.00 0.00 0.00 -1.13 -4.69 105.19 102.80 1id5 n GLY 105 Ca 0.04 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1id5 n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1id5 s MET 106 N -1.71 1.91 0.44 1.61 1.00 -1.17 -0.82 119.30 120.54 1id5 s MET 106 Ca 0.14 -1.18 0.04 0.00 0.00 0.00 0.00 55.69 54.70 1id5 s MET 106 Cb 0.07 -2.74 0.01 0.00 0.00 0.00 0.00 34.83 32.17 1id5 s MET 106 CO 0.10 -0.59 0.62 -0.51 0.00 0.00 0.00 175.02 174.64 1id5 s LEU 107 N 1.25 3.63 0.37 -0.03 1.43 0.04 -4.91 118.68 120.46 1id5 s LEU 107 Ca -0.07 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.77 1id5 s LEU 107 Cb -0.19 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.10 1id5 s LEU 107 CO -0.06 -0.77 0.80 -0.13 0.23 0.00 0.00 176.35 176.42 1id5 s ARG 108 N -4.46 3.97 -0.15 1.70 0.52 -1.26 -1.35 118.95 117.92 1id5 s ARG 108 Ca 0.52 0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 56.14 1id5 s ARG 108 Cb -0.10 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 1id5 s ARG 108 CO 0.35 0.04 1.23 -0.47 0.02 0.00 0.00 175.30 176.47 1id5 s TYR 109 N -2.16 2.96 -0.29 -0.53 6.14 -1.04 -4.64 117.35 117.77 1id5 s TYR 109 Ca 0.55 1.09 -0.00 0.00 0.64 0.00 0.00 57.07 59.35 1id5 s TYR 109 Cb -0.10 -3.46 0.13 0.00 0.42 0.00 0.00 41.96 38.95 1id5 s TYR 109 CO 0.21 -1.51 0.29 1.21 0.64 0.00 0.00 175.55 176.40 1id5 s ASN 110 N 1.81 1.80 0.08 4.32 2.47 -1.26 -4.74 114.94 119.42 1id5 s ASN 110 Ca 0.54 -0.85 0.22 0.00 0.42 0.00 0.00 52.86 53.19 1id5 s ASN 110 Cb -0.21 0.44 0.90 0.00 -1.45 0.00 0.00 41.25 40.93 1id5 s ASN 110 CO 0.15 -0.39 1.70 -1.54 -3.72 0.00 0.00 177.10 173.30 1id5 n SER 111 N 5.25 0.25 0.07 -4.21 3.41 -1.26 -3.44 113.62 113.67 1id5 n SER 111 Ca -0.02 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.23 1id5 n SER 111 Cb 0.46 -0.60 0.39 0.00 -0.26 0.00 0.00 64.21 64.20 1id5 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1id5 n LYS 112 N -1.75 0.10 -3.86 4.33 5.02 -1.26 -4.76 118.16 115.97 1id5 n LYS 112 Ca 0.05 0.35 -0.11 0.00 -2.02 0.00 0.00 58.31 56.58 1id5 n LYS 112 Cb 0.27 -1.69 -0.09 0.00 -0.02 0.00 0.00 35.03 33.50 1id5 n LYS 112 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1id5 s LEU 113 N -3.75 1.49 0.48 -0.35 2.96 -1.22 -5.16 118.68 113.13 1id5 s LEU 113 Ca 0.05 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.58 1id5 s LEU 113 Cb 0.09 0.77 -0.07 0.00 0.50 0.00 0.00 46.19 47.48 1id5 s LEU 113 CO 0.31 -0.43 0.90 -2.16 -1.32 0.00 0.00 176.35 173.66 1id5 s PRO 114 N -1.72 3.85 -0.31 0.98 0.04 -1.26 -4.78 135.00 131.80 1id5 s PRO 114 Ca -0.12 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 61.52 1id5 s PRO 114 Cb -0.06 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1id5 s PRO 114 CO 0.00 -0.20 0.35 0.42 0.04 0.00 0.00 177.00 177.60 1id5 s ILE 115 N -2.57 5.19 -0.33 0.56 1.01 -0.43 -4.94 121.20 119.69 1id5 s ILE 115 Ca 0.56 0.25 -0.06 0.00 0.00 0.00 0.00 60.65 61.39 1id5 s ILE 115 Cb -0.10 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1id5 s ILE 115 CO 0.33 0.04 0.09 -0.69 0.00 0.00 0.00 174.94 174.71 1id5 s VAL 116 N 2.01 3.75 -0.13 2.92 1.01 -1.26 -1.65 120.40 127.05 1id5 s VAL 116 Ca 0.12 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1id5 s VAL 116 Cb -0.16 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1id5 s VAL 116 CO 0.11 -0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.29 1id5 s VAL 117 N 1.41 3.31 -0.19 2.92 1.01 -0.95 -0.16 120.40 127.75 1id5 s VAL 117 Ca -0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1id5 s VAL 117 Cb -0.19 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1id5 s VAL 117 CO 0.02 0.52 0.02 -0.31 0.00 0.00 0.00 175.10 175.35 1id5 s TYR 118 N 0.25 3.09 0.16 5.22 1.51 0.13 -1.63 117.35 126.08 1id5 s TYR 118 Ca -0.07 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1id5 s TYR 118 Cb -0.15 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1id5 s TYR 118 CO 0.05 -0.11 0.03 0.95 -1.11 0.00 0.00 175.55 175.36 1id5 s THR 119 N 0.78 0.39 0.74 -0.71 -4.23 -0.52 -0.92 115.64 111.17 1id5 s THR 119 Ca 0.01 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1id5 s THR 119 Cb -0.14 -2.11 0.04 0.00 1.34 0.00 0.00 72.50 71.63 1id5 s THR 119 CO 0.02 -0.44 1.16 -2.84 -0.54 0.00 0.00 174.62 171.98 1id5 s PRO 120 N -3.99 2.18 0.25 3.99 0.02 -1.26 0.33 135.00 136.52 1id5 s PRO 120 Ca 0.25 1.59 -0.11 0.00 0.02 0.00 0.00 61.00 62.75 1id5 s PRO 120 Cb 0.07 -1.86 0.36 0.00 0.02 0.00 0.00 34.50 33.10 1id5 s PRO 120 CO 0.03 -1.77 1.59 -0.44 -0.33 0.00 0.00 177.00 176.08 1id5 h ASP 121 N -0.48 -0.82 -0.45 2.53 3.32 -1.59 -1.35 116.42 117.58 1id5 h ASP 121 Ca -0.46 0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.65 1id5 h ASP 121 Cb 1.27 0.54 -0.11 0.00 0.22 0.00 0.00 39.33 41.25 1id5 h ASP 121 CO 0.50 -0.28 0.24 -0.46 -1.72 0.00 0.00 179.24 177.52 1id5 n ASN 122 N -5.55 3.40 -4.14 6.45 2.04 -1.26 -4.84 115.26 111.36 1id5 n ASN 122 Ca 0.12 -2.73 -0.28 0.00 -0.44 0.00 0.00 54.58 51.26 1id5 n ASN 122 Cb 0.43 -0.65 -0.16 0.00 -2.53 0.00 0.00 39.78 36.86 1id5 n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1id5 s VAL 123 N -1.75 1.57 0.23 3.53 1.01 -0.51 -4.74 120.40 119.74 1id5 s VAL 123 Ca 0.29 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1id5 s VAL 123 Cb 0.24 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1id5 s VAL 123 CO 0.06 0.45 -0.01 -1.81 0.00 0.00 0.00 175.10 173.79 1id5 s ASP 124 N 0.24 4.59 -0.06 3.32 1.01 0.72 -4.67 116.67 121.81 1id5 s ASP 124 Ca -0.10 -0.55 0.05 0.00 0.71 0.00 0.00 52.55 52.66 1id5 s ASP 124 Cb -0.14 -0.89 -0.01 0.00 1.01 0.00 0.00 42.92 42.88 1id5 s ASP 124 CO 0.04 0.04 -0.22 -0.69 0.21 0.00 0.00 175.17 174.56 1id5 s VAL 125 N -2.05 2.37 0.34 -1.27 1.01 -1.26 -1.68 120.40 117.86 1id5 s VAL 125 Ca 0.29 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1id5 s VAL 125 Cb -0.08 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1id5 s VAL 125 CO 0.19 0.57 0.15 -0.54 0.00 0.00 0.00 175.10 175.47 1id5 s LYS 126 N -0.25 1.73 0.01 2.72 1.02 -0.22 -4.98 119.74 119.76 1id5 s LYS 126 Ca -0.00 -2.01 -0.27 0.00 0.02 0.00 0.00 55.97 53.70 1id5 s LYS 126 Cb -0.13 -0.32 0.06 0.00 -0.52 0.00 0.00 37.83 36.92 1id5 s LYS 126 CO 0.03 -0.45 0.62 1.52 -0.92 0.00 0.00 175.35 176.15 1id5 s TYR 127 N -3.43 -0.57 0.03 3.18 1.13 -1.26 -0.95 117.35 115.47 1id5 s TYR 127 Ca 0.32 0.83 0.01 0.00 -1.41 0.00 0.00 57.07 56.82 1id5 s TYR 127 Cb 0.04 0.41 -0.02 0.00 -1.10 0.00 0.00 41.96 41.29 1id5 s TYR 127 CO 0.17 -0.65 -0.06 0.50 -2.51 0.00 0.00 175.55 173.01 1id5 s ARG 128 N -1.87 0.42 0.17 -3.49 3.52 -0.49 -4.96 118.95 112.26 1id5 s ARG 128 Ca -0.08 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1id5 s ARG 128 Cb -0.01 -0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.14 1id5 s ARG 128 CO 0.04 0.03 0.40 0.08 -0.81 0.00 0.00 175.30 175.04 1id5 s VAL 129 N -1.11 5.15 -0.10 7.11 1.01 -1.26 0.21 120.40 131.41 1id5 s VAL 129 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 1id5 s VAL 129 Cb -0.08 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1id5 s VAL 129 CO -0.00 -0.04 -0.06 0.26 0.00 0.00 0.00 175.10 175.26 1id5 s TRP 130 N -1.74 1.27 -0.11 5.22 0.52 0.46 -4.92 118.94 119.64 1id5 s TRP 130 Ca 0.41 -0.57 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 1id5 s TRP 130 Cb -0.12 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.07 1id5 s TRP 130 CO 0.26 -0.43 0.10 0.21 0.02 0.00 0.00 176.95 177.11 1id5 s LYS 131 N 1.61 3.31 0.57 4.98 2.20 -1.26 -1.24 119.74 129.91 1id5 s LYS 131 Ca 0.02 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.34 1id5 s LYS 131 Cb -0.13 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1id5 s LYS 131 CO -0.06 0.76 0.92 0.00 -0.36 0.00 0.00 175.35 176.61 1id5 s ALA 132 N -1.00 3.23 0.09 3.13 0.00 -0.05 -5.02 121.76 122.14 1id5 s ALA 132 Ca 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1id5 s ALA 132 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1id5 s ALA 132 CO 0.04 -0.65 0.18 -1.21 0.00 0.00 0.00 175.76 174.12 1id5 s GLU 133 N -5.00 3.24 0.21 0.00 2.02 -1.26 -5.03 118.70 112.88 1id5 s GLU 133 Ca 0.52 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.85 1id5 s GLU 133 Cb -0.11 -2.91 0.19 0.00 0.10 0.00 0.00 34.13 31.40 1id5 s GLU 133 CO 0.48 0.57 1.85 1.05 0.02 0.00 0.00 175.26 179.24 1id5 h GLU 134 N 2.94 0.84 -6.97 1.61 -0.00 -2.02 -3.44 114.58 107.55 1id5 h GLU 134 Ca -0.46 -0.05 -0.54 0.00 -0.00 0.00 0.00 59.36 58.30 1id5 h GLU 134 Cb 1.17 -0.19 0.12 0.00 -0.00 0.00 0.00 28.75 29.85 1id5 h GLU 134 CO 0.71 0.56 0.73 1.17 -0.00 0.00 0.00 179.01 182.18 1id5 n LYS 135 N -4.66 2.39 -3.60 1.06 3.00 -1.26 -5.02 118.16 110.07 1id5 n LYS 135 Ca 0.08 0.85 -0.28 0.00 -0.00 0.00 0.00 58.31 58.95 1id5 n LYS 135 Cb 0.08 -2.65 -0.16 0.00 0.00 0.00 0.00 35.03 32.31 1id5 n LYS 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1id5 s ILE 136 N -1.17 0.10 0.73 3.15 1.01 -1.26 -5.15 121.20 118.61 1id5 s ILE 136 Ca 0.59 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 1id5 s ILE 136 Cb -0.46 -0.97 0.13 0.00 0.01 0.00 0.00 42.46 41.18 1id5 s ILE 136 CO 0.59 -0.56 1.00 -1.81 0.00 0.00 0.00 174.94 174.17 1id5 s ASP 137 N 2.03 4.32 -0.05 3.58 1.11 -1.26 -5.11 116.67 121.29 1id5 s ASP 137 Ca 0.06 -0.35 0.04 0.00 0.18 0.00 0.00 52.55 52.48 1id5 s ASP 137 Cb -0.16 -0.02 -0.02 0.00 1.07 0.00 0.00 42.92 43.78 1id5 s ASP 137 CO -0.26 -1.88 -0.18 0.20 1.18 0.00 0.00 175.17 174.24 1id5 s ASN 138 N -4.74 3.72 0.69 0.27 0.01 -1.26 -5.11 114.94 108.51 1id5 s ASN 138 Ca 0.66 -0.30 -0.15 0.00 -0.71 0.00 0.00 52.86 52.36 1id5 s ASN 138 Cb -0.05 -0.84 0.01 0.00 0.41 0.00 0.00 41.25 40.78 1id5 s ASN 138 CO 0.44 0.31 1.13 0.00 -1.51 0.00 0.00 177.10 177.47 1id5 s ALA 139 N -0.50 2.36 -0.18 0.60 0.00 -1.26 -5.00 121.76 117.78 1id5 s ALA 139 Ca 0.07 0.60 -0.07 0.00 0.00 0.00 0.00 51.96 52.56 1id5 s ALA 139 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1id5 s ALA 139 CO 0.01 -1.46 0.05 0.08 0.00 0.00 0.00 175.76 174.44 1id5 s VAL 140 N -2.31 4.64 -0.75 0.00 1.01 -1.26 -5.04 120.40 116.68 1id5 s VAL 140 Ca 0.68 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 62.31 1id5 s VAL 140 Cb -0.22 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1id5 s VAL 140 CO 0.43 0.46 1.38 0.54 0.00 0.00 0.00 175.10 177.92 1id5 s VAL 141 N 0.38 3.69 0.00 2.92 0.11 -1.26 -5.37 120.40 120.87 1id5 s VAL 141 Ca 0.02 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1id5 s VAL 141 Cb -0.13 -4.80 0.00 0.00 -1.53 0.00 0.00 36.38 29.92 1id5 s VAL 141 CO 0.01 -1.74 0.00 -2.11 -3.33 0.00 0.00 175.10 167.93