#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rem s HIS 4 N 0.00 0.01 0.38 -2.53 -3.43 -1.26 -5.14 115.29 103.32 2rem s HIS 4 Ca 0.00 -0.18 -0.28 0.00 -0.80 0.00 0.00 55.06 53.81 2rem s HIS 4 Cb 0.00 -0.01 -0.10 0.00 -1.43 0.00 0.00 32.58 31.04 2rem s HIS 4 CO 0.00 -0.42 1.39 -0.51 -2.00 0.00 0.00 174.74 173.21 2rem s LEU 5 N -1.93 4.31 0.32 5.38 1.43 -1.26 -4.90 118.68 122.04 2rem s LEU 5 Ca -0.07 2.86 -0.29 0.00 -1.03 0.00 0.00 54.13 55.60 2rem s LEU 5 Cb -0.02 -3.73 -0.12 0.00 0.03 0.00 0.00 46.19 42.34 2rem s LEU 5 CO -0.02 -0.80 1.41 -2.65 0.23 0.00 0.00 176.35 174.51 2rem n PRO 6 N 0.43 2.34 -4.54 1.29 -0.02 -1.26 -4.98 135.00 128.25 2rem n PRO 6 Ca 0.02 0.82 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 2rem n PRO 6 Cb 0.41 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.26 2rem n PRO 6 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rem s VAL 7 N -0.70 3.39 0.36 -1.45 1.01 -1.26 -4.95 120.40 116.80 2rem s VAL 7 Ca 0.59 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 2rem s VAL 7 Cb -0.55 -2.46 -0.11 0.00 0.00 0.00 0.00 36.38 33.26 2rem s VAL 7 CO 0.58 0.50 1.49 0.52 0.00 0.00 0.00 175.10 178.19 2rem n VAL 8 N 3.67 1.86 -0.48 2.92 0.31 -1.26 -0.25 118.33 125.10 2rem n VAL 8 Ca -0.18 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2rem n VAL 8 Cb 0.52 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 2rem n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2rem n GLY 9 N 0.71 1.84 1.13 2.92 0.00 0.12 -4.74 105.19 107.17 2rem n GLY 9 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2rem n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rem n GLU 10 N -2.00 0.00 -0.06 1.61 1.02 -0.50 -4.91 120.64 115.80 2rem n GLU 10 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2rem n GLU 10 Cb 0.00 -0.45 -0.16 0.00 -0.02 0.00 0.00 31.44 30.81 2rem n GLU 10 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2rem n ASP 11 N -3.36 0.02 -3.87 1.62 8.00 0.65 -4.70 116.55 114.91 2rem n ASP 11 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2rem n ASP 11 Cb 0.11 1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.64 2rem n ASP 11 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2rem s TYR 12 N -2.96 -0.06 0.01 1.24 1.13 -1.18 0.32 117.35 115.86 2rem s TYR 12 Ca -0.09 -0.36 0.01 0.00 -1.41 0.00 0.00 57.07 55.22 2rem s TYR 12 Cb 0.10 0.55 -0.01 0.00 -1.10 0.00 0.00 41.96 41.50 2rem s TYR 12 CO 0.86 -1.14 -0.03 0.14 -2.51 0.00 0.00 175.55 172.87 2rem s VAL 13 N -3.93 0.20 0.38 -3.49 -7.23 -0.22 0.11 120.40 106.21 2rem s VAL 13 Ca 0.13 -0.52 -0.15 0.00 -1.81 0.00 0.00 61.98 59.63 2rem s VAL 13 Cb -0.04 -0.25 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 2rem s VAL 13 CO 0.06 -0.21 0.81 -1.61 -0.31 0.00 0.00 175.10 173.84 2rem s GLU 14 N -0.77 4.00 -0.38 4.82 2.02 -1.26 0.01 118.70 127.15 2rem s GLU 14 Ca -0.07 0.75 -0.16 0.00 0.02 0.00 0.00 54.97 55.52 2rem s GLU 14 Cb -0.05 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.84 2rem s GLU 14 CO -0.00 0.04 0.36 0.42 0.02 0.00 0.00 175.26 176.10 2rem s ILE 15 N -2.16 5.17 0.03 -1.63 1.01 0.63 -4.89 121.20 119.37 2rem s ILE 15 Ca 0.56 -0.24 -0.35 0.00 0.00 0.00 0.00 60.65 60.62 2rem s ILE 15 Cb -0.10 -3.90 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2rem s ILE 15 CO 0.20 -0.23 1.68 -2.65 0.00 0.00 0.00 174.94 173.94 2rem n PRO 16 N 5.38 2.02 -2.37 2.79 -0.02 -1.26 0.19 135.00 141.73 2rem n PRO 16 Ca -0.09 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 2rem n PRO 16 Cb 0.48 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 2rem n PRO 16 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2rem n ASP 17 N 4.69 -4.58 -4.72 2.55 8.00 -1.26 -4.90 116.55 116.32 2rem n ASP 17 Ca 0.20 0.14 -0.40 0.00 0.71 0.00 0.00 54.79 55.43 2rem n ASP 17 Cb 0.27 -3.88 0.02 0.00 -0.02 0.00 0.00 41.12 37.51 2rem n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rem n GLY 18 N -0.84 0.67 3.17 0.44 0.00 0.13 -5.01 105.19 103.74 2rem n GLY 18 Ca -0.18 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2rem n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rem s ARG 19 N -2.38 1.11 0.84 1.61 1.81 -1.04 -4.61 118.95 116.28 2rem s ARG 19 Ca 0.63 -0.76 -0.11 0.00 -1.72 0.00 0.00 55.73 53.77 2rem s ARG 19 Cb -0.48 -1.14 0.10 0.00 -0.45 0.00 0.00 34.95 32.99 2rem s ARG 19 CO 0.56 0.29 1.13 -1.25 -0.68 0.00 0.00 175.30 175.35 2rem s PRO 20 N -0.99 1.62 0.39 3.54 0.04 -1.24 -4.26 135.00 134.10 2rem s PRO 20 Ca 0.04 1.39 0.09 0.00 0.04 0.00 0.00 61.00 62.57 2rem s PRO 20 Cb -0.08 -1.81 0.79 0.00 0.04 0.00 0.00 34.50 33.45 2rem s PRO 20 CO 0.01 -2.16 1.93 0.35 0.04 0.00 0.00 177.00 177.18 2rem h PHE 21 N -1.46 0.28 -3.94 0.56 3.57 -1.96 -3.43 116.94 110.57 2rem h PHE 21 Ca -0.43 -0.03 -0.21 0.00 3.53 0.00 0.00 57.97 60.83 2rem h PHE 21 Cb 1.25 -0.08 -0.17 0.00 2.79 0.00 0.00 35.95 39.74 2rem h PHE 21 CO 0.53 0.36 -0.70 0.00 -2.23 0.00 0.00 178.31 176.28 2rem s ALA 22 N -4.82 0.74 0.49 2.41 0.00 -1.26 -5.11 121.76 114.21 2rem s ALA 22 Ca -0.06 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.55 2rem s ALA 22 Cb 0.16 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 2rem s ALA 22 CO 0.73 -0.20 1.01 -2.30 0.00 0.00 0.00 175.76 175.00 2rem n PRO 23 N 0.46 1.24 -0.29 0.00 -0.02 -1.26 -4.85 135.00 130.28 2rem n PRO 23 Ca -0.16 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.73 2rem n PRO 23 Cb 0.59 -2.12 0.07 0.00 -0.02 0.00 0.00 33.50 32.02 2rem n PRO 23 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2rem h LEU 24 N 1.19 0.92 -1.82 2.45 3.38 -1.95 -3.47 115.31 116.01 2rem h LEU 24 Ca -0.46 -0.04 -0.50 0.00 0.09 0.00 0.00 57.88 56.96 2rem h LEU 24 Cb 1.34 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2rem h LEU 24 CO 0.55 0.69 -0.88 0.00 0.09 0.00 0.00 178.44 178.89 2rem n ALA 25 N -2.33 -1.94 -0.98 1.53 0.00 -1.26 -1.36 120.51 114.17 2rem n ALA 25 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2rem n ALA 25 Cb 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2rem n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rem n GLY 26 N -1.93 0.76 3.83 0.00 0.00 -1.26 -5.01 105.19 101.56 2rem n GLY 26 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2rem n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rem s LYS 27 N -0.09 2.62 -0.30 1.61 -0.14 -0.46 -4.94 119.74 118.03 2rem s LYS 27 Ca 0.00 -1.38 -0.11 0.00 -1.36 0.00 0.00 55.97 53.12 2rem s LYS 27 Cb 0.00 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.73 2rem s LYS 27 CO 0.00 0.06 0.18 0.42 -0.76 0.00 0.00 175.35 175.25 2rem s ILE 28 N -2.35 5.01 -0.03 2.17 1.01 0.12 -4.76 121.20 122.36 2rem s ILE 28 Ca 0.41 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.71 2rem s ILE 28 Cb -0.05 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.90 2rem s ILE 28 CO 0.26 0.14 0.66 -0.70 0.00 0.00 0.00 174.94 175.29 2rem s GLU 29 N 1.70 4.40 -0.19 2.79 2.12 -1.26 -0.71 118.70 127.55 2rem s GLU 29 Ca 0.06 0.82 0.01 0.00 0.36 0.00 0.00 54.97 56.22 2rem s GLU 29 Cb -0.17 -3.40 0.04 0.00 0.26 0.00 0.00 34.13 30.86 2rem s GLU 29 CO 0.09 0.20 -0.13 0.08 -0.54 0.00 0.00 175.26 174.96 2rem s VAL 30 N 0.34 1.75 -0.13 3.70 1.01 0.03 0.12 120.40 127.22 2rem s VAL 30 Ca 0.35 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2rem s VAL 30 Cb -0.18 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2rem s VAL 30 CO 0.18 0.29 0.07 -0.69 0.00 0.00 0.00 175.10 174.94 2rem s VAL 31 N 1.37 4.87 -0.25 2.92 1.01 0.48 -0.48 120.40 130.32 2rem s VAL 31 Ca 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2rem s VAL 31 Cb -0.15 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2rem s VAL 31 CO -0.09 0.56 0.06 -0.70 0.00 0.00 0.00 175.10 174.92 2rem s GLU 32 N -0.49 3.59 -0.21 2.72 2.12 -0.29 -0.87 118.70 125.28 2rem s GLU 32 Ca 0.10 -0.52 -0.23 0.00 0.36 0.00 0.00 54.97 54.69 2rem s GLU 32 Cb -0.12 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2rem s GLU 32 CO 0.02 -0.21 0.74 0.42 -0.54 0.00 0.00 175.26 175.69 2rem s ILE 33 N 1.59 4.93 0.09 -3.70 1.01 0.11 -0.42 121.20 124.81 2rem s ILE 33 Ca 0.06 1.41 -0.00 0.00 0.00 0.00 0.00 60.65 62.12 2rem s ILE 33 Cb -0.15 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2rem s ILE 33 CO 0.03 0.03 -0.01 0.72 0.00 0.00 0.00 174.94 175.70 2rem s PHE 34 N 2.31 0.71 -0.03 3.97 -0.71 -0.74 -1.10 117.98 122.39 2rem s PHE 34 Ca 0.33 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.16 2rem s PHE 34 Cb -0.16 -0.45 0.00 0.00 -1.21 0.00 0.00 43.02 41.20 2rem s PHE 34 CO 0.10 -0.37 -0.10 0.20 -1.34 0.00 0.00 175.22 173.71 2rem s GLY 35 N -2.99 0.56 0.45 1.99 0.00 -1.26 0.85 107.32 106.93 2rem s GLY 35 Ca 0.13 -0.38 0.23 0.00 0.00 0.00 0.00 44.72 44.71 2rem s GLY 35 CO -0.05 -0.14 1.83 -0.97 0.00 0.00 0.00 173.10 173.77 2rem h TYR 36 N 6.32 0.39 0.00 1.90 0.99 -1.93 -1.27 116.97 123.37 2rem h TYR 36 Ca -0.33 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.41 2rem h TYR 36 Cb 1.17 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.79 2rem h TYR 36 CO 0.44 0.07 0.00 0.25 -0.00 0.00 0.00 178.16 178.92 2rem n THR 37 N -4.45 0.39 -3.05 -2.88 -2.24 -1.26 -4.74 114.28 96.04 2rem n THR 37 Ca 0.21 0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.68 2rem n THR 37 Cb 0.87 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 2rem n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2rem h PRO 39 N 8.07 0.00 -0.24 0.00 0.13 -1.86 -1.54 132.00 136.56 2rem h PRO 39 Ca -0.26 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.68 2rem h PRO 39 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2rem h PRO 39 CO 0.82 0.16 -0.61 0.45 -0.23 0.00 0.00 178.00 178.59 2rem h HIS 40 N 0.00 1.08 -0.67 1.56 3.86 -1.92 -1.13 115.15 117.93 2rem h HIS 40 Ca -0.00 -0.42 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 2rem h HIS 40 Cb 0.52 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 2rem h HIS 40 CO 0.00 1.25 0.39 0.00 0.86 0.00 0.00 177.93 180.43 2rem h ALA 42 N 1.20 0.63 -0.07 0.00 0.00 -1.20 -1.64 119.26 118.18 2rem h ALA 42 Ca 0.24 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 2rem h ALA 42 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2rem h ALA 42 CO -0.04 -0.08 -0.57 0.45 0.00 0.00 0.00 179.25 179.01 2rem h HIS 43 N 0.51 0.27 0.00 0.00 3.86 -0.80 -3.14 115.15 115.85 2rem h HIS 43 Ca 0.21 -0.10 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 2rem h HIS 43 Cb 0.10 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2rem h HIS 43 CO -0.09 0.74 -0.53 0.35 0.86 0.00 0.00 177.93 179.25 2rem h PHE 44 N 0.16 0.00 -0.60 2.45 3.57 -0.42 -3.38 116.94 118.72 2rem h PHE 44 Ca -0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2rem h PHE 44 Cb 1.05 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 2rem h PHE 44 CO 0.02 0.53 0.07 0.22 -2.23 0.00 0.00 178.31 176.91 2rem h ASP 45 N 0.00 -0.13 0.20 0.41 3.58 -1.25 0.06 116.42 119.29 2rem h ASP 45 Ca -0.01 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2rem h ASP 45 Cb 1.17 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.43 2rem h ASP 45 CO 0.07 -0.05 -0.15 -1.28 -2.88 0.00 0.00 179.24 174.94 2rem h SER 46 N 0.18 -0.40 -0.46 2.28 0.87 -1.78 0.10 113.55 114.34 2rem h SER 46 Ca 0.32 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.81 2rem h SER 46 Cb 0.50 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2rem h SER 46 CO -0.46 -0.24 -0.06 0.11 -0.53 0.00 0.00 176.83 175.65 2rem h LYS 47 N -0.37 0.91 -0.40 2.24 1.57 -1.69 -1.50 116.57 117.34 2rem h LYS 47 Ca -0.01 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 2rem h LYS 47 Cb 0.32 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2rem h LYS 47 CO -0.01 0.94 0.03 1.25 -0.57 0.00 0.00 179.45 181.09 2rem h LEU 48 N 0.83 0.66 -0.83 2.94 5.85 -0.68 0.13 115.31 124.20 2rem h LEU 48 Ca 0.14 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 2rem h LEU 48 Cb 0.57 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2rem h LEU 48 CO 0.03 0.78 -0.11 1.56 -0.34 0.00 0.00 178.44 180.37 2rem h GLN 49 N 0.51 0.76 -0.21 1.25 1.08 -0.70 0.30 115.11 118.11 2rem h GLN 49 Ca 0.12 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2rem h GLN 49 Cb 0.42 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2rem h GLN 49 CO 0.01 0.84 0.08 0.00 -0.95 0.00 0.00 178.83 178.81 2rem h ALA 50 N 1.19 0.27 -0.20 3.87 0.00 -1.06 -0.31 119.26 123.02 2rem h ALA 50 Ca 0.12 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2rem h ALA 50 Cb 0.58 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2rem h ALA 50 CO 0.04 -0.14 -0.27 2.35 0.00 0.00 0.00 179.25 181.23 2rem h TRP 51 N 0.18 -0.72 -0.91 0.00 7.01 -0.65 -2.70 115.95 118.15 2rem h TRP 51 Ca 0.07 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.22 2rem h TRP 51 Cb 0.19 0.35 -0.08 0.00 -2.10 0.00 0.00 29.16 27.51 2rem h TRP 51 CO -0.01 -0.34 0.55 0.78 -2.79 0.00 0.00 178.44 176.62 2rem h GLY 52 N -0.30 1.46 2.00 2.65 0.00 -0.02 -1.96 103.07 106.91 2rem h GLY 52 Ca 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2rem h GLY 52 CO -0.37 0.13 -0.08 0.00 0.00 0.00 0.00 176.54 176.22 2rem h ALA 53 N 1.50 1.03 -0.24 3.60 0.00 -0.74 -2.83 119.26 121.60 2rem h ALA 53 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2rem h ALA 53 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2rem h ALA 53 CO -0.27 0.11 0.00 2.89 0.00 0.00 0.00 179.25 181.98 2rem n ARG 54 N -3.24 2.29 -2.50 0.00 1.85 -0.74 -4.96 116.66 109.36 2rem n ARG 54 Ca 0.00 -1.92 -0.36 0.00 -1.00 0.00 0.00 57.85 54.57 2rem n ARG 54 Cb 0.33 -1.48 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 2rem n ARG 54 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2rem s GLN 55 N -1.71 4.03 0.93 2.89 -1.52 -1.07 -5.03 119.66 118.18 2rem s GLN 55 Ca 0.35 1.53 -0.12 0.00 -1.95 0.00 0.00 55.36 55.17 2rem s GLN 55 Cb 0.21 -2.44 0.15 0.00 -0.22 0.00 0.00 33.01 30.71 2rem s GLN 55 CO 0.31 -0.26 1.09 0.00 -0.25 0.00 0.00 175.29 176.18 2rem s ALA 56 N -1.70 1.36 -0.41 6.09 0.00 -1.26 -4.90 121.76 120.93 2rem s ALA 56 Ca 0.60 -0.13 0.21 0.00 0.00 0.00 0.00 51.96 52.65 2rem s ALA 56 Cb -0.22 -3.18 0.99 0.00 0.00 0.00 0.00 23.12 20.71 2rem s ALA 56 CO 0.27 -2.51 1.64 0.36 0.00 0.00 0.00 175.76 175.52 2rem n LYS 57 N -3.98 0.15 0.00 0.00 2.85 -1.26 -1.95 118.16 113.97 2rem n LYS 57 Ca 0.07 0.51 0.14 0.00 -1.05 0.00 0.00 58.31 57.98 2rem n LYS 57 Cb 0.56 -1.87 0.59 0.00 -0.65 0.00 0.00 35.03 33.65 2rem n LYS 57 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2rem n ASP 58 N -2.17 1.18 -4.69 -5.58 3.85 -1.26 -4.76 116.55 103.12 2rem n ASP 58 Ca 0.01 -1.34 -0.37 0.00 -0.71 0.00 0.00 54.79 52.38 2rem n ASP 58 Cb 0.13 0.01 -0.08 0.00 -1.35 0.00 0.00 41.12 39.83 2rem n ASP 58 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2rem s VAL 59 N -2.05 5.30 -0.37 2.12 1.01 -0.82 0.15 120.40 125.74 2rem s VAL 59 Ca 0.38 0.46 -0.08 0.00 0.00 0.00 0.00 61.98 62.74 2rem s VAL 59 Cb 0.21 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 33.03 2rem s VAL 59 CO 0.36 0.34 0.17 -0.60 0.00 0.00 0.00 175.10 175.37 2rem s ARG 60 N 0.88 2.63 -0.26 2.72 3.52 0.12 -4.90 118.95 123.66 2rem s ARG 60 Ca 0.14 -1.27 -0.14 0.00 -0.13 0.00 0.00 55.73 54.33 2rem s ARG 60 Cb -0.13 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 2rem s ARG 60 CO 0.05 -0.77 0.34 0.12 -0.81 0.00 0.00 175.30 174.22 2rem s PHE 61 N 1.43 3.27 -0.08 5.12 5.36 -1.26 -0.79 117.98 131.03 2rem s PHE 61 Ca 0.01 0.40 0.02 0.00 -0.96 0.00 0.00 56.93 56.39 2rem s PHE 61 Cb -0.21 -2.52 0.01 0.00 -0.34 0.00 0.00 43.02 39.97 2rem s PHE 61 CO 0.03 -0.16 -0.12 0.99 -1.46 0.00 0.00 175.22 174.49 2rem s THR 62 N 1.84 1.19 -0.05 0.12 2.01 0.37 -4.98 115.64 116.15 2rem s THR 62 Ca 0.14 -0.49 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 2rem s THR 62 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 2rem s THR 62 CO 0.09 0.37 0.74 -0.76 -0.69 0.00 0.00 174.62 174.38 2rem s LEU 63 N 0.80 4.34 -0.19 4.42 1.43 -1.26 -1.13 118.68 127.08 2rem s LEU 63 Ca -0.12 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 2rem s LEU 63 Cb -0.15 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.94 2rem s LEU 63 CO 0.02 -0.12 -0.13 -0.69 0.23 0.00 0.00 176.35 175.66 2rem s VAL 64 N 0.75 1.75 0.25 -1.59 1.01 0.44 -4.94 120.40 118.08 2rem s VAL 64 Ca 0.40 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 2rem s VAL 64 Cb -0.18 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 2rem s VAL 64 CO 0.20 0.26 1.28 -2.16 0.00 0.00 0.00 175.10 174.69 2rem s PRO 65 N 1.36 4.41 -0.25 2.72 0.04 -1.26 -1.79 135.00 140.23 2rem s PRO 65 Ca 0.00 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 2rem s PRO 65 Cb -0.15 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2rem s PRO 65 CO -0.09 -0.17 1.43 0.00 0.04 0.00 0.00 177.00 178.20 2rem s ALA 66 N -0.45 3.36 -1.04 8.56 0.00 0.25 -4.72 121.76 127.71 2rem s ALA 66 Ca 0.53 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2rem s ALA 66 Cb -0.37 -3.79 0.23 0.00 0.00 0.00 0.00 23.12 19.19 2rem s ALA 66 CO 0.43 -1.78 1.08 0.08 0.00 0.00 0.00 175.76 175.58 2rem s VAL 67 N 4.60 5.64 -0.69 0.00 1.01 -1.26 -4.57 120.40 125.13 2rem s VAL 67 Ca 0.62 -2.91 0.13 0.00 0.00 0.00 0.00 61.98 59.83 2rem s VAL 67 Cb -0.21 -4.64 0.41 0.00 0.00 0.00 0.00 36.38 31.95 2rem s VAL 67 CO 0.25 -1.25 1.34 0.49 0.00 0.00 0.00 175.10 175.93 2rem n PHE 68 N 3.84 0.70 -1.53 5.22 0.99 -1.26 -4.86 117.46 120.56 2rem n PHE 68 Ca 0.24 -0.64 0.03 0.00 -0.00 0.00 0.00 57.45 57.08 2rem n PHE 68 Cb 0.43 -0.14 -0.01 0.00 -1.00 0.00 0.00 39.48 38.76 2rem n PHE 68 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rem n GLY 69 N 0.21 -2.09 7.00 1.37 0.00 -1.26 -4.91 105.19 105.50 2rem n GLY 69 Ca 0.16 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2rem n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rem n GLY 70 N -1.16 2.82 0.28 -0.02 0.00 -1.26 -2.09 105.19 103.76 2rem n GLY 70 Ca 0.00 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2rem n GLY 70 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2rem h VAL 71 N 0.00 0.72 -0.58 1.61 -1.51 -1.93 -2.98 116.25 111.58 2rem h VAL 71 Ca 0.00 -0.07 -0.06 0.00 -1.23 0.00 0.00 66.70 65.34 2rem h VAL 71 Cb 0.00 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.18 2rem h VAL 71 CO 0.00 0.02 0.13 -0.50 -1.23 0.00 0.00 177.57 175.98 2rem h TRP 72 N 0.00 0.95 -0.12 5.19 4.06 -1.74 -3.34 115.95 120.95 2rem h TRP 72 Ca -0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 2rem h TRP 72 Cb 0.04 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 27.92 2rem h TRP 72 CO 0.00 0.80 0.01 -0.44 -3.56 0.00 0.00 178.44 175.24 2rem h ASP 73 N 0.87 0.20 -0.43 -3.49 5.19 -1.61 0.31 116.42 117.46 2rem h ASP 73 Ca 0.19 -0.30 0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2rem h ASP 73 Cb 0.34 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 2rem h ASP 73 CO 0.00 0.45 0.29 -0.65 -3.12 0.00 0.00 179.24 176.21 2rem h PRO 74 N -0.05 0.34 0.00 3.56 0.11 -1.77 -0.10 132.00 134.08 2rem h PRO 74 Ca 0.03 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.01 2rem h PRO 74 Cb 0.34 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 2rem h PRO 74 CO 0.00 0.22 -0.55 0.74 -0.21 0.00 0.00 178.00 178.21 2rem h PHE 75 N 0.35 0.00 0.14 0.65 -1.00 -1.58 0.11 116.94 115.60 2rem h PHE 75 Ca 0.19 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 2rem h PHE 75 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 2rem h PHE 75 CO -0.00 0.55 -0.07 0.00 -1.61 0.00 0.00 178.31 177.18 2rem h ALA 76 N 1.45 -0.19 -0.85 2.45 0.00 0.15 -1.17 119.26 121.10 2rem h ALA 76 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2rem h ALA 76 Cb 1.36 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2rem h ALA 76 CO 0.07 -0.49 0.56 0.00 0.00 0.00 0.00 179.25 179.40 2rem h ARG 77 N -0.41 1.09 0.13 0.00 3.08 -0.98 -0.42 114.38 116.87 2rem h ARG 77 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 2rem h ARG 77 Cb 0.33 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2rem h ARG 77 CO 0.03 0.72 -0.06 0.00 -1.07 0.00 0.00 179.97 179.59 2rem h ALA 78 N 1.48 -0.17 -0.23 0.04 0.00 -0.67 0.36 119.26 120.06 2rem h ALA 78 Ca 0.32 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.22 2rem h ALA 78 Cb -0.07 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2rem h ALA 78 CO -0.08 -0.56 -0.21 -0.92 0.00 0.00 0.00 179.25 177.48 2rem h TYR 79 N -0.25 -0.55 -0.59 0.00 5.03 -0.78 -0.54 116.97 119.28 2rem h TYR 79 Ca -0.02 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 2rem h TYR 79 Cb 0.20 0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 2rem h TYR 79 CO -0.05 -0.29 0.21 -0.07 -1.32 0.00 0.00 178.16 176.65 2rem h LEU 80 N -0.21 0.85 -0.37 2.82 3.38 -0.74 0.15 115.31 121.18 2rem h LEU 80 Ca 0.13 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2rem h LEU 80 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2rem h LEU 80 CO -0.36 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.22 2rem h ALA 81 N 1.07 0.46 -0.75 1.53 0.00 -0.05 0.10 119.26 121.63 2rem h ALA 81 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2rem h ALA 81 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2rem h ALA 81 CO -0.01 -0.09 0.48 0.00 0.00 0.00 0.00 179.25 179.64 2rem h ALA 82 N 1.14 0.98 -0.43 0.00 0.00 -0.75 0.57 119.26 120.77 2rem h ALA 82 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2rem h ALA 82 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2rem h ALA 82 CO -0.04 0.31 0.02 0.22 0.00 0.00 0.00 179.25 179.76 2rem h ASP 83 N 0.96 0.74 -0.82 0.00 -0.00 -0.34 0.23 116.42 117.19 2rem h ASP 83 Ca 0.29 -0.30 0.03 0.00 -0.00 0.00 0.00 57.03 57.06 2rem h ASP 83 Cb -0.03 -0.20 -0.05 0.00 -0.00 0.00 0.00 39.33 39.06 2rem h ASP 83 CO -0.09 0.85 0.54 0.58 -0.00 0.00 0.00 179.24 181.12 2rem h VAL 84 N 0.60 1.14 -0.13 2.25 2.07 -0.15 -1.98 116.25 120.04 2rem h VAL 84 Ca 0.13 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2rem h VAL 84 Cb 0.46 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2rem h VAL 84 CO 0.02 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.98 2rem n LEU 85 N -4.44 1.49 -0.84 2.57 4.77 0.13 -4.93 117.00 115.76 2rem n LEU 85 Ca 0.10 -0.61 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 2rem n LEU 85 Cb 0.10 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2rem n LEU 85 CO 0.35 0.30 -0.10 0.61 -1.33 0.00 0.00 177.39 177.22 2rem n GLY 86 N 1.11 1.01 0.22 -0.72 0.00 -0.24 -4.91 105.19 101.66 2rem n GLY 86 Ca 0.16 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.65 2rem n GLY 86 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2rem n VAL 87 N -2.88 0.72 0.03 1.61 0.24 0.64 -4.72 118.33 113.98 2rem n VAL 87 Ca -0.11 -0.86 -0.13 0.00 -2.04 0.00 0.00 64.34 61.21 2rem n VAL 87 Cb 0.37 0.66 -0.09 0.00 -1.47 0.00 0.00 33.84 33.32 2rem n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rem h ALA 88 N 0.76 -0.07 -0.55 2.33 0.00 -1.76 -2.50 119.26 117.47 2rem h ALA 88 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2rem h ALA 88 Cb 0.47 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2rem h ALA 88 CO 0.00 -0.40 0.25 0.87 0.00 0.00 0.00 179.25 179.97 2rem h LYS 89 N -0.34 0.45 0.00 0.00 1.57 -1.89 0.84 116.57 117.20 2rem h LYS 89 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2rem h LYS 89 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2rem h LYS 89 CO 0.01 0.30 -0.02 0.07 -0.57 0.00 0.00 179.45 179.24 2rem h ARG 90 N 0.47 0.00 -0.01 3.15 0.11 -1.86 -3.22 114.38 113.02 2rem h ARG 90 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2rem h ARG 90 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2rem h ARG 90 CO -0.22 0.02 -0.09 -1.13 0.10 0.00 0.00 179.97 178.65 2rem n SER 91 N -3.12 1.39 0.19 0.08 3.41 -0.84 -4.75 113.62 109.98 2rem n SER 91 Ca 0.01 -1.20 -0.15 0.00 -0.26 0.00 0.00 58.87 57.28 2rem n SER 91 Cb 0.38 0.26 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2rem n SER 91 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2rem h HIS 92 N 1.30 -0.46 -0.30 7.33 2.76 -0.86 0.20 115.15 125.11 2rem h HIS 92 Ca 0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 2rem h HIS 92 Cb 0.32 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 2rem h HIS 92 CO 0.00 -0.28 0.14 1.15 -1.30 0.00 0.00 177.93 177.65 2rem h THR 93 N -0.46 1.16 -0.91 6.26 2.02 -1.85 -2.61 112.91 116.51 2rem h THR 93 Ca -0.04 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 66.76 2rem h THR 93 Cb 0.37 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 2rem h THR 93 CO 0.04 0.16 0.59 0.00 0.37 0.00 0.00 175.52 176.69 2rem h ALA 94 N 1.00 1.52 -0.20 6.16 0.00 -1.78 0.55 119.26 126.52 2rem h ALA 94 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2rem h ALA 94 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2rem h ALA 94 CO -0.01 0.33 0.07 1.98 0.00 0.00 0.00 179.25 181.62 2rem h MET 95 N 1.01 0.30 -0.38 0.00 -1.53 -0.37 0.60 114.93 114.57 2rem h MET 95 Ca 0.40 -0.06 0.06 0.00 -3.44 0.00 0.00 59.70 56.66 2rem h MET 95 Cb 0.23 -0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.18 2rem h MET 95 CO -0.15 0.37 0.04 0.74 0.14 0.00 0.00 176.91 178.04 2rem h PHE 96 N 0.16 0.05 -0.79 1.39 0.05 -1.04 -1.11 116.94 115.66 2rem h PHE 96 Ca 0.06 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 2rem h PHE 96 Cb 0.19 0.04 -0.04 0.00 2.00 0.00 0.00 35.95 38.14 2rem h PHE 96 CO -0.01 -0.03 0.44 0.93 -0.18 0.00 0.00 178.31 179.46 2rem h GLU 97 N 0.15 1.09 -0.63 1.51 5.08 -0.69 0.11 114.58 121.19 2rem h GLU 97 Ca 0.18 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2rem h GLU 97 Cb 0.24 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2rem h GLU 97 CO -0.28 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 178.76 2rem h ALA 98 N 1.38 0.83 0.07 3.43 0.00 0.10 0.10 119.26 125.18 2rem h ALA 98 Ca 0.28 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2rem h ALA 98 Cb 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.57 2rem h ALA 98 CO -0.05 0.46 -0.67 0.82 0.00 0.00 0.00 179.25 179.82 2rem h ILE 99 N 0.90 1.49 0.00 0.00 2.04 -0.97 0.20 117.51 121.16 2rem h ILE 99 Ca 0.21 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2rem h ILE 99 Cb 0.24 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 2rem h ILE 99 CO -0.01 0.65 -1.67 1.41 0.00 0.00 0.00 178.15 178.53 2rem n HIS 100 N -4.20 0.00 -0.01 1.37 8.25 0.38 -4.09 115.22 116.91 2rem n HIS 100 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 2rem n HIS 100 Cb 0.73 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 2rem n HIS 100 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2rem n GLU 101 N -2.02 0.16 0.10 -0.41 -0.58 -0.25 -4.82 120.64 112.82 2rem n GLU 101 Ca -0.02 0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.62 2rem n GLU 101 Cb 0.46 -0.78 -0.11 0.00 -0.57 0.00 0.00 31.44 30.44 2rem n GLU 101 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2rem h LYS 102 N -0.29 0.39 -1.50 3.49 1.57 -0.99 -3.48 116.57 115.76 2rem h LYS 102 Ca -0.10 -0.56 -0.22 0.00 -1.87 0.00 0.00 60.65 57.90 2rem h LYS 102 Cb 0.71 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2rem h LYS 102 CO -0.06 1.24 -0.28 0.41 -0.57 0.00 0.00 179.45 180.19 2rem n GLY 103 N 1.36 0.01 0.10 3.86 0.00 0.45 -4.92 105.19 106.05 2rem n GLY 103 Ca -0.10 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.61 2rem n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rem h SER 104 N 0.00 0.00 -3.26 1.61 4.64 -1.14 -3.42 113.55 111.97 2rem h SER 104 Ca -0.26 -0.10 -0.58 0.00 -0.47 0.00 0.00 61.79 60.38 2rem h SER 104 Cb 1.16 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.88 2rem h SER 104 CO 0.31 0.05 -0.81 -0.69 -0.87 0.00 0.00 176.83 174.82 2rem s VAL 105 N -3.19 1.36 0.49 0.95 1.01 -1.15 -5.02 120.40 114.86 2rem s VAL 105 Ca 0.06 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 2rem s VAL 105 Cb 0.11 -1.40 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 2rem s VAL 105 CO 0.70 0.28 1.02 -2.16 0.00 0.00 0.00 175.10 174.94 2rem s PRO 106 N 1.55 3.82 -0.02 2.72 0.04 -1.26 -4.21 135.00 137.64 2rem s PRO 106 Ca 0.02 1.25 0.11 0.00 0.04 0.00 0.00 61.00 62.42 2rem s PRO 106 Cb -0.14 -2.11 -0.23 0.00 0.04 0.00 0.00 34.50 32.06 2rem s PRO 106 CO -0.09 -0.40 0.75 -0.84 0.04 0.00 0.00 177.00 176.47 2rem h ILE 107 N 1.39 0.98 -3.34 0.56 3.07 -1.98 -3.43 117.51 114.75 2rem h ILE 107 Ca -0.49 -2.80 -0.56 0.00 1.55 0.00 0.00 64.86 62.56 2rem h ILE 107 Cb 1.21 2.49 -0.04 0.00 -0.27 0.00 0.00 36.82 40.21 2rem h ILE 107 CO 0.59 0.57 0.05 -1.10 -1.05 0.00 0.00 178.15 177.21 2rem s GLN 108 N -2.61 4.36 -1.52 0.16 -1.52 -1.26 -4.18 119.66 113.08 2rem s GLN 108 Ca -0.04 0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 54.09 2rem s GLN 108 Cb 0.08 -3.29 0.11 0.00 -0.22 0.00 0.00 33.01 29.70 2rem s GLN 108 CO 0.82 0.49 0.74 0.09 -0.25 0.00 0.00 175.29 177.19 2rem n ASN 109 N 2.14 -3.82 -4.76 5.90 3.02 -1.26 -4.92 115.26 111.56 2rem n ASN 109 Ca -0.07 -0.75 -0.40 0.00 -0.03 0.00 0.00 54.58 53.33 2rem n ASN 109 Cb 0.50 -3.12 -0.06 0.00 -0.61 0.00 0.00 39.78 36.50 2rem n ASN 109 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2rem s VAL 110 N -3.16 4.27 0.39 2.41 0.11 -1.26 -5.08 120.40 118.09 2rem s VAL 110 Ca 0.62 1.88 0.05 0.00 -2.93 0.00 0.00 61.98 61.61 2rem s VAL 110 Cb -0.33 -4.23 -0.07 0.00 -1.53 0.00 0.00 36.38 30.23 2rem s VAL 110 CO 0.76 0.49 0.03 -0.83 -3.33 0.00 0.00 175.10 172.22 2rem s GLY 111 N -1.02 2.43 0.45 6.54 0.00 -1.26 -4.90 107.32 109.56 2rem s GLY 111 Ca 0.39 -2.02 0.13 0.00 0.00 0.00 0.00 44.72 43.22 2rem s GLY 111 CO 0.29 -2.01 2.04 -0.56 0.00 0.00 0.00 173.10 172.86 2rem h PRO 112 N 1.84 0.14 -0.40 2.90 0.13 -1.97 -2.10 132.00 132.53 2rem h PRO 112 Ca -0.43 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2rem h PRO 112 Cb 1.25 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2rem h PRO 112 CO 0.76 0.19 0.20 -0.44 -0.23 0.00 0.00 178.00 178.47 2rem h ASP 113 N 0.14 0.52 -0.26 1.44 3.32 -1.97 0.37 116.42 119.98 2rem h ASP 113 Ca 0.03 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2rem h ASP 113 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2rem h ASP 113 CO 0.01 0.49 0.01 -0.08 -1.72 0.00 0.00 179.24 177.95 2rem h GLU 114 N 0.50 0.45 -0.78 3.56 4.81 -1.89 -2.80 114.58 118.43 2rem h GLU 114 Ca 0.14 -0.14 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2rem h GLU 114 Cb 0.11 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2rem h GLU 114 CO -0.02 0.60 0.51 -0.07 -0.73 0.00 0.00 179.01 179.31 2rem h LEU 115 N 0.24 0.72 -1.65 1.64 3.38 -1.24 -1.88 115.31 116.52 2rem h LEU 115 Ca 0.08 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.15 2rem h LEU 115 Cb 0.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2rem h LEU 115 CO 0.01 0.46 0.40 0.00 0.09 0.00 0.00 178.44 179.40 2rem h ALA 116 N 1.58 2.04 -0.36 1.53 0.00 0.02 -1.15 119.26 122.92 2rem h ALA 116 Ca 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2rem h ALA 116 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2rem h ALA 116 CO -0.12 -0.17 0.14 0.28 0.00 0.00 0.00 179.25 179.38 2rem h VAL 117 N 0.39 1.19 -0.03 0.00 2.07 -1.28 0.42 116.25 119.01 2rem h VAL 117 Ca 0.28 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2rem h VAL 117 Cb 0.57 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2rem h VAL 117 CO -0.08 0.21 -0.20 0.15 0.02 0.00 0.00 177.57 177.67 2rem h PHE 118 N 0.43 -0.54 0.00 1.57 3.57 -1.27 -2.89 116.94 117.80 2rem h PHE 118 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2rem h PHE 118 Cb 0.19 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2rem h PHE 118 CO -0.00 -0.29 -0.14 1.88 -2.23 0.00 0.00 178.31 177.53 2rem h TYR 119 N -0.31 0.00 -0.30 0.41 -1.99 -1.01 -2.50 116.97 111.27 2rem h TYR 119 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2rem h TYR 119 Cb 0.40 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.12 2rem h TYR 119 CO -0.26 0.14 0.18 0.00 -0.00 0.00 0.00 178.16 178.22 2rem h ALA 120 N 1.86 1.77 -0.55 3.88 0.00 0.04 -0.08 119.26 126.17 2rem h ALA 120 Ca -0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 2rem h ALA 120 Cb 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2rem h ALA 120 CO 0.02 0.21 0.43 0.78 0.00 0.00 0.00 179.25 180.68 2rem h GLY 121 N 0.42 0.00 -1.89 0.00 0.00 -1.38 -1.40 103.07 98.82 2rem h GLY 121 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2rem h GLY 121 CO -0.02 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.80 2rem n TYR 122 N -4.19 0.48 -0.49 5.60 4.02 -0.07 -4.92 117.16 117.59 2rem n TYR 122 Ca 0.10 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 2rem n TYR 122 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.97 2rem n TYR 122 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2rem n GLY 123 N 1.39 0.75 3.66 2.72 0.00 -0.53 -5.04 105.19 108.15 2rem n GLY 123 Ca 0.19 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2rem n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rem s VAL 124 N -2.00 4.83 0.17 1.61 1.01 -1.02 -5.00 120.40 120.01 2rem s VAL 124 Ca 0.00 1.71 -0.32 0.00 0.00 0.00 0.00 61.98 63.37 2rem s VAL 124 Cb 0.00 -4.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2rem s VAL 124 CO 0.00 -0.04 1.60 -1.10 0.00 0.00 0.00 175.10 175.56 2rem s GLN 125 N 2.52 4.20 0.23 2.72 -1.52 -1.26 -3.67 119.66 122.88 2rem s GLN 125 Ca 0.39 2.41 -0.06 0.00 -1.95 0.00 0.00 55.36 56.14 2rem s GLN 125 Cb -0.16 -3.14 0.34 0.00 -0.22 0.00 0.00 33.01 29.83 2rem s GLN 125 CO 0.10 -0.63 1.79 -1.35 -0.25 0.00 0.00 175.29 174.95 2rem h PRO 126 N 6.80 0.65 -0.61 2.91 0.11 -1.95 0.74 132.00 140.64 2rem h PRO 126 Ca -0.43 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.77 2rem h PRO 126 Cb 1.20 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.05 2rem h PRO 126 CO 0.92 0.43 -0.20 0.22 -0.21 0.00 0.00 178.00 179.16 2rem h ASP 127 N 0.67 -0.72 -0.43 -2.05 -0.00 -1.98 0.17 116.42 112.09 2rem h ASP 127 Ca 0.36 0.20 -0.13 0.00 -0.00 0.00 0.00 57.03 57.45 2rem h ASP 127 Cb 0.34 0.43 -0.01 0.00 -0.00 0.00 0.00 39.33 40.09 2rem h ASP 127 CO -0.25 -0.24 -0.23 -0.09 -0.00 0.00 0.00 179.24 178.43 2rem h ARG 128 N -0.05 0.94 -0.08 0.28 2.43 -1.53 -2.05 114.38 114.32 2rem h ARG 128 Ca 0.29 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2rem h ARG 128 Cb 0.49 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 2rem h ARG 128 CO -0.65 1.07 0.04 0.35 -1.51 0.00 0.00 179.97 179.26 2rem h PHE 129 N 0.81 0.07 -0.26 2.20 3.04 0.69 -0.86 116.94 122.63 2rem h PHE 129 Ca 0.10 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.03 2rem h PHE 129 Cb 0.80 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 2rem h PHE 129 CO 0.05 0.04 0.07 0.28 -2.02 0.00 0.00 178.31 176.73 2rem h VAL 130 N 0.09 1.20 -0.58 1.41 2.07 -0.70 0.11 116.25 119.84 2rem h VAL 130 Ca 0.03 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 66.98 2rem h VAL 130 Cb 0.01 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 2rem h VAL 130 CO -0.03 0.21 0.22 0.00 0.02 0.00 0.00 177.57 178.00 2rem h ALA 131 N 0.90 0.74 0.29 1.67 0.00 -1.29 0.61 119.26 122.18 2rem h ALA 131 Ca 0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2rem h ALA 131 Cb 0.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2rem h ALA 131 CO -0.00 -0.18 -0.14 1.15 0.00 0.00 0.00 179.25 180.08 2rem h THR 132 N 0.41 0.75 -0.66 0.00 2.02 -0.88 -0.86 112.91 113.68 2rem h THR 132 Ca 0.29 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 67.26 2rem h THR 132 Cb 0.33 0.94 -0.10 0.00 -1.74 0.00 0.00 68.15 67.58 2rem h THR 132 CO -0.28 0.07 0.14 0.15 0.37 0.00 0.00 175.52 175.97 2rem h PHE 133 N -0.57 0.22 -0.05 3.16 3.04 -0.36 0.25 116.94 122.63 2rem h PHE 133 Ca -0.04 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2rem h PHE 133 Cb 0.41 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.93 2rem h PHE 133 CO -0.01 -0.06 0.00 0.09 -2.02 0.00 0.00 178.31 176.31 2rem n ASN 134 N -5.15 0.87 -4.92 0.41 3.02 0.17 -4.74 115.26 104.91 2rem n ASN 134 Ca 0.11 -1.42 -0.26 0.00 -0.03 0.00 0.00 54.58 52.99 2rem n ASN 134 Cb 0.38 -0.03 0.02 0.00 -0.61 0.00 0.00 39.78 39.54 2rem n ASN 134 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2rem s GLY 135 N -1.80 1.56 0.38 7.41 0.00 0.08 -4.94 107.32 110.01 2rem s GLY 135 Ca 0.37 -0.75 0.05 0.00 0.00 0.00 0.00 44.72 44.38 2rem s GLY 135 CO 0.30 -0.54 2.02 -0.56 0.00 0.00 0.00 173.10 174.33 2rem h PRO 136 N 0.10 0.69 -0.09 2.90 0.13 -1.87 -2.44 132.00 131.43 2rem h PRO 136 Ca -0.46 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2rem h PRO 136 Cb 1.24 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2rem h PRO 136 CO 0.60 0.46 0.02 1.49 -0.23 0.00 0.00 178.00 180.34 2rem h GLU 137 N 0.71 0.15 -0.82 0.86 4.57 -1.94 0.27 114.58 118.38 2rem h GLU 137 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2rem h GLU 137 Cb -0.03 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2rem h GLU 137 CO -0.05 0.33 0.53 0.28 -1.18 0.00 0.00 179.01 178.92 2rem h VAL 138 N -0.07 1.22 -0.84 0.32 2.07 -1.73 -0.66 116.25 116.57 2rem h VAL 138 Ca 0.03 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2rem h VAL 138 Cb 0.26 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2rem h VAL 138 CO 0.00 0.21 0.48 -0.08 0.02 0.00 0.00 177.57 178.20 2rem h GLU 139 N 1.11 1.15 0.07 1.57 4.57 -1.28 0.66 114.58 122.44 2rem h GLU 139 Ca 0.30 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2rem h GLU 139 Cb -0.10 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.24 2rem h GLU 139 CO -0.06 0.83 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.27 2rem h LYS 140 N 1.16 -0.21 -0.22 1.92 3.64 -0.23 0.76 116.57 123.39 2rem h LYS 140 Ca 0.30 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2rem h LYS 140 Cb -0.00 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2rem h LYS 140 CO -0.05 -0.14 -0.16 0.00 -2.27 0.00 0.00 179.45 176.83 2rem h ARG 141 N -0.22 0.37 -0.15 1.90 3.08 -0.47 -1.28 114.38 117.62 2rem h ARG 141 Ca 0.02 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2rem h ARG 141 Cb 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2rem h ARG 141 CO -0.05 0.53 -0.02 0.35 -1.07 0.00 0.00 179.97 179.71 2rem h PHE 142 N 0.34 0.30 -0.71 3.04 3.04 0.70 0.11 116.94 123.77 2rem h PHE 142 Ca 0.06 -0.06 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2rem h PHE 142 Cb 0.49 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 2rem h PHE 142 CO 0.01 0.53 0.31 1.96 -2.02 0.00 0.00 178.31 179.11 2rem h GLN 143 N -0.02 1.03 -0.66 1.11 1.08 -0.63 -0.18 115.11 116.85 2rem h GLN 143 Ca 0.04 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 2rem h GLN 143 Cb 0.43 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 2rem h GLN 143 CO 0.01 0.83 0.42 0.00 -0.95 0.00 0.00 178.83 179.15 2rem h ALA 144 N 1.15 0.85 -0.53 3.87 0.00 -1.04 0.12 119.26 123.68 2rem h ALA 144 Ca 0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2rem h ALA 144 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2rem h ALA 144 CO -0.03 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.51 2rem h ALA 145 N 1.27 0.71 -0.02 0.00 0.00 -0.32 -1.22 119.26 119.67 2rem h ALA 145 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2rem h ALA 145 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2rem h ALA 145 CO -0.08 0.46 0.01 -0.09 0.00 0.00 0.00 179.25 179.55 2rem h ARG 146 N 0.77 0.03 -0.80 0.00 2.43 -0.82 -1.91 114.38 114.08 2rem h ARG 146 Ca 0.16 -0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.45 2rem h ARG 146 Cb 0.41 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.88 2rem h ARG 146 CO 0.01 0.07 0.41 0.00 -1.51 0.00 0.00 179.97 178.95 2rem h ALA 147 N 0.96 1.16 -0.28 2.80 0.00 -0.53 -0.18 119.26 123.18 2rem h ALA 147 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2rem h ALA 147 Cb 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2rem h ALA 147 CO -0.00 -0.05 0.09 -0.92 0.00 0.00 0.00 179.25 178.37 2rem h TYR 148 N 0.64 0.45 -0.89 0.00 3.20 -1.03 -1.44 116.97 117.89 2rem h TYR 148 Ca 0.41 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2rem h TYR 148 Cb 0.51 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2rem h TYR 148 CO -0.10 0.48 0.50 0.00 -1.64 0.00 0.00 178.16 177.40 2rem h ALA 149 N 0.92 1.14 -0.76 1.82 0.00 -0.84 0.17 119.26 121.72 2rem h ALA 149 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2rem h ALA 149 Cb 0.24 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2rem h ALA 149 CO -0.00 0.63 0.35 -0.07 0.00 0.00 0.00 179.25 180.16 2rem h LEU 150 N 1.24 0.99 -0.06 0.00 3.38 -0.77 0.22 115.31 120.32 2rem h LEU 150 Ca 0.32 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2rem h LEU 150 Cb 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2rem h LEU 150 CO -0.05 0.84 -0.17 0.50 0.09 0.00 0.00 178.44 179.65 2rem h LYS 151 N 1.08 0.22 -0.22 1.13 1.63 -0.68 -3.28 116.57 116.45 2rem h LYS 151 Ca 0.26 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.79 2rem h LYS 151 Cb 0.13 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2rem h LYS 151 CO -0.03 0.78 -0.35 0.28 -3.45 0.00 0.00 179.45 176.68 2rem h VAL 152 N -0.30 1.29 -6.23 2.00 2.07 -0.52 -3.48 116.25 111.08 2rem h VAL 152 Ca -0.01 -1.45 -0.42 0.00 0.82 0.00 0.00 66.70 65.64 2rem h VAL 152 Cb 0.79 1.51 0.08 0.00 -1.52 0.00 0.00 31.29 32.15 2rem h VAL 152 CO 0.04 0.45 -0.92 0.54 0.02 0.00 0.00 177.57 177.70 2rem n ARG 153 N -4.06 -1.21 -1.53 1.57 1.74 0.77 -4.96 116.66 108.98 2rem n ARG 153 Ca -0.01 0.49 -0.33 0.00 -0.77 0.00 0.00 57.85 57.23 2rem n ARG 153 Cb 0.47 -4.08 0.07 0.00 -1.02 0.00 0.00 32.46 27.90 2rem n ARG 153 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2rem s PRO 154 N -5.86 2.42 0.00 5.56 0.04 -1.26 -4.91 135.00 130.99 2rem s PRO 154 Ca 0.45 1.50 0.22 0.00 0.04 0.00 0.00 61.00 63.20 2rem s PRO 154 Cb -0.16 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.67 2rem s PRO 154 CO 0.86 -1.57 1.21 1.33 0.04 0.00 0.00 177.00 178.87 2rem n VAL 155 N -2.74 0.03 -3.33 -0.36 0.24 -1.26 -5.02 118.33 105.88 2rem n VAL 155 Ca 0.11 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 2rem n VAL 155 Cb 0.52 1.43 0.00 0.00 -1.47 0.00 0.00 33.84 34.32 2rem n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rem n GLY 156 N 1.25 -0.85 3.15 7.63 0.00 -1.26 -5.16 105.19 109.94 2rem n GLY 156 Ca 0.13 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2rem n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rem s THR 157 N -3.00 0.84 0.47 2.61 -4.23 -1.26 -4.17 115.64 106.90 2rem s THR 157 Ca 0.00 -1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 58.77 2rem s THR 157 Cb 0.00 -1.21 -0.08 0.00 1.34 0.00 0.00 72.50 72.55 2rem s THR 157 CO 0.00 -0.53 1.09 -2.16 -0.54 0.00 0.00 174.62 172.48 2rem s PRO 158 N -2.57 3.78 -0.09 3.99 0.04 -1.26 -4.64 135.00 134.26 2rem s PRO 158 Ca 0.02 1.54 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2rem s PRO 158 Cb -0.04 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2rem s PRO 158 CO -0.00 -0.48 -0.10 0.99 0.04 0.00 0.00 177.00 177.45 2rem s THR 159 N -1.77 1.05 -0.15 1.26 2.01 -0.26 -4.96 115.64 112.82 2rem s THR 159 Ca 0.66 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 2rem s THR 159 Cb -0.22 -1.01 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 2rem s THR 159 CO 0.26 0.35 0.25 -0.63 -0.69 0.00 0.00 174.62 174.17 2rem s ILE 160 N 1.14 5.33 -0.08 1.82 -1.09 -1.26 0.07 121.20 127.13 2rem s ILE 160 Ca -0.06 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 2rem s ILE 160 Cb -0.14 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2rem s ILE 160 CO -0.02 0.43 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.27 2rem s VAL 161 N 0.20 1.47 -0.21 2.92 1.01 -0.05 -0.52 120.40 125.21 2rem s VAL 161 Ca 0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 2rem s VAL 161 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2rem s VAL 161 CO 0.03 0.43 0.02 -0.69 0.00 0.00 0.00 175.10 174.89 2rem s VAL 162 N 0.64 4.04 -1.61 2.92 1.01 0.09 -0.39 120.40 127.11 2rem s VAL 162 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2rem s VAL 162 Cb -0.16 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2rem s VAL 162 CO 0.04 0.41 0.00 0.59 0.00 0.00 0.00 175.10 176.14 2rem n ASN 163 N 4.44 -4.98 0.00 3.32 5.03 0.12 -1.09 115.26 122.09 2rem n ASN 163 Ca -0.17 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2rem n ASN 163 Cb 0.52 -4.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 2rem n ASN 163 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rem n GLY 164 N -0.75 0.14 0.01 7.41 0.00 -1.26 -3.64 105.19 107.09 2rem n GLY 164 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2rem n GLY 164 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2rem n ARG 165 N -0.50 2.76 -3.76 1.61 1.85 -0.25 -2.50 116.66 115.87 2rem n ARG 165 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2rem n ARG 165 Cb 0.28 -1.04 -0.13 0.00 -1.05 0.00 0.00 32.46 30.52 2rem n ARG 165 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2rem s TYR 166 N -2.04 3.19 -0.30 2.89 1.51 -0.60 -0.27 117.35 121.72 2rem s TYR 166 Ca -0.01 -1.17 -0.20 0.00 -1.01 0.00 0.00 57.07 54.67 2rem s TYR 166 Cb 0.01 -2.26 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2rem s TYR 166 CO 0.06 -0.64 0.60 1.41 -1.11 0.00 0.00 175.55 175.87 2rem s MET 167 N 1.46 3.91 0.21 -0.62 1.75 0.10 -0.73 119.30 125.38 2rem s MET 167 Ca 0.01 0.27 -0.30 0.00 -1.25 0.00 0.00 55.69 54.42 2rem s MET 167 Cb -0.18 -3.72 -0.09 0.00 2.84 0.00 0.00 34.83 33.68 2rem s MET 167 CO 0.02 -0.53 1.39 0.08 -0.65 0.00 0.00 175.02 175.33 2rem s VAL 168 N 2.54 2.96 -0.58 10.11 1.01 0.32 -1.05 120.40 135.70 2rem s VAL 168 Ca 0.24 0.77 0.06 0.00 0.00 0.00 0.00 61.98 63.06 2rem s VAL 168 Cb -0.15 -3.49 0.24 0.00 0.00 0.00 0.00 36.38 32.98 2rem s VAL 168 CO 0.11 0.11 0.67 0.35 0.00 0.00 0.00 175.10 176.34 2rem n THR 169 N 2.73 1.51 -1.97 3.92 -2.24 0.15 -4.58 114.28 113.80 2rem n THR 169 Ca 0.07 -4.87 -0.30 0.00 -2.27 0.00 0.00 64.05 56.68 2rem n THR 169 Cb 0.41 -2.06 0.03 0.00 -2.10 0.00 0.00 70.33 66.61 2rem n THR 169 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2rem s GLY 170 N -2.04 1.63 0.17 3.38 0.00 -1.26 -4.32 107.32 104.88 2rem s GLY 170 Ca 0.38 -0.32 0.23 0.00 0.00 0.00 0.00 44.72 45.00 2rem s GLY 170 CO -0.05 0.00 1.01 -2.39 0.00 0.00 0.00 173.10 171.67 2rem n HIS 171 N -2.85 0.84 -3.61 1.90 1.44 -1.26 -4.85 115.22 106.82 2rem n HIS 171 Ca 0.06 0.24 -0.07 0.00 -2.01 0.00 0.00 57.72 55.94 2rem n HIS 171 Cb 0.56 -0.88 0.02 0.00 0.12 0.00 0.00 29.99 29.81 2rem n HIS 171 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2rem n ASP 172 N -2.58 -1.72 -0.00 4.39 3.85 -1.26 -5.04 116.55 114.20 2rem n ASP 172 Ca -0.00 -2.21 -0.11 0.00 -0.71 0.00 0.00 54.79 51.75 2rem n ASP 172 Cb 0.54 2.86 -0.06 0.00 -1.35 0.00 0.00 41.12 43.12 2rem n ASP 172 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 2rem h PHE 173 N 1.75 0.12 -0.47 2.11 0.05 -1.99 0.13 116.94 118.65 2rem h PHE 173 Ca -0.25 -0.00 0.08 0.00 3.82 0.00 0.00 57.97 61.61 2rem h PHE 173 Cb 0.93 -0.04 -0.07 0.00 2.00 0.00 0.00 35.95 38.78 2rem h PHE 173 CO 0.00 0.14 0.09 0.93 -0.18 0.00 0.00 178.31 179.29 2rem h GLU 174 N 0.07 0.21 -0.35 1.51 3.07 -1.99 -1.52 114.58 115.58 2rem h GLU 174 Ca 0.03 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2rem h GLU 174 Cb 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2rem h GLU 174 CO -0.01 0.14 0.10 0.22 -1.40 0.00 0.00 179.01 178.07 2rem h ASP 175 N 0.22 0.52 -0.48 1.42 3.58 -1.88 0.53 116.42 120.32 2rem h ASP 175 Ca 0.23 -0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.55 2rem h ASP 175 Cb 0.30 -0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.15 2rem h ASP 175 CO -0.31 0.59 0.10 0.74 -2.88 0.00 0.00 179.24 177.49 2rem h THR 176 N 0.41 0.74 -0.25 2.25 2.02 -0.59 0.13 112.91 117.62 2rem h THR 176 Ca 0.11 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 2rem h THR 176 Cb 0.27 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2rem h THR 176 CO -0.00 0.04 -0.39 -0.07 0.37 0.00 0.00 175.52 175.47 2rem h LEU 177 N 0.24 0.61 -0.12 2.58 3.38 -0.85 -0.55 115.31 120.61 2rem h LEU 177 Ca 0.24 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2rem h LEU 177 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2rem h LEU 177 CO -0.31 0.94 0.03 -0.09 0.09 0.00 0.00 178.44 179.10 2rem h ARG 178 N 0.48 0.19 -0.50 1.13 2.43 -0.15 0.14 114.38 118.09 2rem h ARG 178 Ca 0.04 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2rem h ARG 178 Cb 0.89 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.35 2rem h ARG 178 CO 0.08 0.36 0.13 0.82 -1.51 0.00 0.00 179.97 179.85 2rem h ILE 179 N -0.02 0.76 -0.55 1.20 2.04 -0.73 -1.13 117.51 119.09 2rem h ILE 179 Ca 0.04 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2rem h ILE 179 Cb 0.26 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 2rem h ILE 179 CO 0.00 0.05 0.30 0.74 0.00 0.00 0.00 178.15 179.24 2rem h THR 180 N 0.28 0.98 -0.38 -0.27 2.02 -0.79 -0.10 112.91 114.65 2rem h THR 180 Ca 0.25 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.28 2rem h THR 180 Cb 0.31 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2rem h THR 180 CO -0.30 0.10 0.11 0.44 0.37 0.00 0.00 175.52 176.24 2rem h ASP 181 N 0.57 0.08 -0.48 4.18 3.32 0.27 0.12 116.42 124.49 2rem h ASP 181 Ca 0.24 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.27 2rem h ASP 181 Cb 0.12 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2rem h ASP 181 CO -0.15 0.08 0.05 1.88 -1.72 0.00 0.00 179.24 179.38 2rem h TYR 182 N 0.25 0.93 -0.35 4.55 0.99 -0.77 -0.44 116.97 122.14 2rem h TYR 182 Ca 0.18 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 2rem h TYR 182 Cb 0.18 -0.26 -0.01 0.00 1.00 0.00 0.00 36.73 37.64 2rem h TYR 182 CO -0.17 0.82 -0.06 -0.07 -0.00 0.00 0.00 178.16 178.68 2rem h LEU 183 N 0.82 0.65 -0.44 3.88 3.38 -0.49 -0.29 115.31 122.83 2rem h LEU 183 Ca 0.16 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.83 2rem h LEU 183 Cb 0.42 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2rem h LEU 183 CO 0.01 0.85 0.17 0.58 0.09 0.00 0.00 178.44 180.15 2rem h VAL 184 N 0.44 0.89 -0.81 1.22 2.07 -0.67 -0.51 116.25 118.89 2rem h VAL 184 Ca 0.09 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2rem h VAL 184 Cb 0.55 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2rem h VAL 184 CO 0.03 0.06 0.48 -1.28 0.02 0.00 0.00 177.57 176.89 2rem h SER 185 N 0.36 0.98 -0.60 0.57 0.87 -0.85 0.11 113.55 114.99 2rem h SER 185 Ca 0.20 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.59 2rem h SER 185 Cb 0.17 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2rem h SER 185 CO -0.19 0.76 -0.01 0.08 -0.53 0.00 0.00 176.83 176.94 2rem h ARG 186 N 1.11 1.06 -0.64 2.24 0.11 -0.64 -0.77 114.38 116.85 2rem h ARG 186 Ca 0.29 -0.34 -0.07 0.00 0.10 0.00 0.00 59.98 59.96 2rem h ARG 186 Cb -0.03 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 30.93 2rem h ARG 186 CO -0.05 1.05 0.14 0.93 0.10 0.00 0.00 179.97 182.14 2rem h GLU 187 N 0.96 1.03 -0.34 0.08 4.39 -0.63 0.27 114.58 120.34 2rem h GLU 187 Ca 0.17 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2rem h GLU 187 Cb 0.57 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2rem h GLU 187 CO 0.03 0.94 0.13 -0.09 -1.16 0.00 0.00 179.01 178.86 2rem h ARG 188 N 0.95 0.27 -0.28 2.33 2.43 -0.63 0.18 114.38 119.63 2rem h ARG 188 Ca 0.20 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2rem h ARG 188 Cb 0.38 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2rem h ARG 188 CO 0.00 0.18 -0.32 0.00 -1.51 0.00 0.00 179.97 178.33 2rem h ALA 189 N 1.21 0.93 -0.15 2.80 0.00 -0.80 -3.11 119.26 120.13 2rem h ALA 189 Ca 0.15 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 2rem h ALA 189 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2rem h ALA 189 CO -0.14 0.62 -0.59 0.00 0.00 0.00 0.00 179.25 179.14 2rem h ALA 190 N 1.15 0.70 -0.84 0.00 0.00 -0.23 -3.26 119.26 116.78 2rem h ALA 190 Ca 0.06 -0.53 0.17 0.00 0.00 0.00 0.00 54.91 54.61 2rem h ALA 190 Cb 0.79 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.35 2rem h ALA 190 CO 0.06 0.70 -0.22 0.43 0.00 0.00 0.00 179.25 180.23 2rem n SER 191 N -3.93 -0.32 -0.35 0.00 7.64 0.60 -0.76 113.62 116.50 2rem n SER 191 Ca -0.03 1.45 -0.00 0.00 1.01 0.00 0.00 58.87 61.30 2rem n SER 191 Cb 0.62 -0.43 0.14 0.00 -1.01 0.00 0.00 64.21 63.52 2rem n SER 191 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2rem h HIS 192 N 0.00 1.15 -0.02 1.43 3.86 -1.70 -3.52 115.15 116.35 2rem h HIS 192 Ca 0.40 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2rem h HIS 192 Cb 0.61 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2rem h HIS 192 CO -0.66 0.65 0.00 0.41 0.86 0.00 0.00 177.93 179.19