#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai6 s ALA 2 N 0.00 -0.37 0.07 -5.12 0.00 -1.26 -5.19 121.76 109.89 2ai6 s ALA 2 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2ai6 s ALA 2 Cb 0.00 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 2ai6 s ALA 2 CO 0.00 -0.68 -0.05 0.08 0.00 0.00 0.00 175.76 175.11 2ai6 s VAL 3 N -3.92 0.44 0.28 0.00 1.01 -1.26 -4.94 120.40 112.02 2ai6 s VAL 3 Ca 0.12 -1.67 0.03 0.00 0.00 0.00 0.00 61.98 60.47 2ai6 s VAL 3 Cb 0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2ai6 s VAL 3 CO -0.03 -0.81 0.19 0.00 0.00 0.00 0.00 175.10 174.45 2ai6 s ALA 4 N -3.20 1.67 0.05 5.51 0.00 -1.26 -5.00 121.76 119.53 2ai6 s ALA 4 Ca 0.04 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 49.99 2ai6 s ALA 4 Cb 0.03 1.35 0.03 0.00 0.00 0.00 0.00 23.12 24.53 2ai6 s ALA 4 CO -0.06 -0.59 0.35 0.34 0.00 0.00 0.00 175.76 175.81 2ai6 s ASP 5 N -3.31 -0.19 0.44 0.00 2.15 -1.26 -3.93 116.67 110.57 2ai6 s ASP 5 Ca 0.39 -0.13 0.21 0.00 0.43 0.00 0.00 52.55 53.45 2ai6 s ASP 5 Cb 0.05 0.39 1.18 0.00 -0.30 0.00 0.00 42.92 44.24 2ai6 s ASP 5 CO 0.20 -0.65 1.84 -0.07 -0.17 0.00 0.00 175.17 176.31 2ai6 h LEU 6 N 3.06 0.32 -1.93 -1.34 3.38 -1.96 -1.25 115.31 115.59 2ai6 h LEU 6 Ca -0.32 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2ai6 h LEU 6 Cb 1.21 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 6 CO 0.45 0.11 -0.09 0.00 0.09 0.00 0.00 178.44 179.00 2ai6 h ALA 7 N 1.59 1.18 0.00 1.53 0.00 -2.03 -2.34 119.26 119.19 2ai6 h ALA 7 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2ai6 h ALA 7 Cb 1.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2ai6 h ALA 7 CO -0.17 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.13 2ai6 h LEU 8 N 0.00 0.00 -9.53 0.00 3.38 -1.65 -3.46 115.31 104.06 2ai6 h LEU 8 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2ai6 h LEU 8 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2ai6 h LEU 8 CO 0.01 0.00 0.72 -0.63 0.09 0.00 0.00 178.44 178.63 2ai6 s ILE 9 N -3.35 3.39 0.23 1.22 1.01 -0.88 -4.97 121.20 117.85 2ai6 s ILE 9 Ca 0.05 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 61.38 2ai6 s ILE 9 Cb 0.06 -3.63 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 2ai6 s ILE 9 CO 0.63 0.07 1.34 -2.65 0.00 0.00 0.00 174.94 174.33 2ai6 n PRO 10 N 4.03 1.83 -0.07 2.79 -0.02 -1.26 -4.94 135.00 137.36 2ai6 n PRO 10 Ca 0.11 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 62.05 2ai6 n PRO 10 Cb 0.43 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.52 2ai6 n PRO 10 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ai6 n ASP 11 N 2.05 2.05 -3.82 2.55 2.03 -1.26 -4.90 116.55 115.24 2ai6 n ASP 11 Ca 0.12 0.03 -0.14 0.00 0.52 0.00 0.00 54.79 55.32 2ai6 n ASP 11 Cb 0.30 -0.63 -0.15 0.00 -0.72 0.00 0.00 41.12 39.92 2ai6 n ASP 11 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ai6 s VAL 12 N -2.54 -0.01 -0.27 5.18 1.01 -1.26 -2.09 120.40 120.43 2ai6 s VAL 12 Ca -0.29 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2ai6 s VAL 12 Cb 0.08 -0.07 0.12 0.00 0.00 0.00 0.00 36.38 36.51 2ai6 s VAL 12 CO 0.68 0.06 0.57 -0.62 0.00 0.00 0.00 175.10 175.79 2ai6 s ASP 13 N 0.60 -0.87 0.05 3.32 2.15 -1.07 -5.02 116.67 115.83 2ai6 s ASP 13 Ca -0.05 1.34 -0.02 0.00 0.43 0.00 0.00 52.55 54.25 2ai6 s ASP 13 Cb -0.07 1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 44.50 2ai6 s ASP 13 CO -0.02 -0.23 -0.01 0.27 -0.17 0.00 0.00 175.17 175.02 2ai6 s ILE 14 N 2.81 0.19 1.19 4.11 -4.36 -1.26 -3.49 121.20 120.39 2ai6 s ILE 14 Ca -0.03 -1.60 -0.16 0.00 -0.26 0.00 0.00 60.65 58.60 2ai6 s ILE 14 Cb -0.12 -1.31 0.28 0.00 1.25 0.00 0.00 42.46 42.56 2ai6 s ILE 14 CO -0.17 -0.89 1.04 -0.62 0.24 0.00 0.00 174.94 174.54 2ai6 s ASP 15 N -2.68 0.93 0.00 4.36 -1.08 -0.58 -4.98 116.67 112.64 2ai6 s ASP 15 Ca 0.03 1.12 0.00 0.00 -0.52 0.00 0.00 52.55 53.18 2ai6 s ASP 15 Cb 0.05 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 2ai6 s ASP 15 CO -0.09 -4.18 0.09 -1.20 0.52 0.00 0.00 175.17 170.32 2ai6 n SER 16 N -4.86 0.18 -0.27 -0.34 7.64 -1.26 -4.91 113.62 109.80 2ai6 n SER 16 Ca 0.07 -0.89 -0.03 0.00 1.01 0.00 0.00 58.87 59.03 2ai6 n SER 16 Cb 0.57 0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.88 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ai6 h ASP 17 N 0.00 0.81 0.00 6.43 3.58 -1.98 -3.47 116.42 121.79 2ai6 h ASP 17 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2ai6 h ASP 17 Cb 0.35 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2ai6 h ASP 17 CO 0.00 0.57 0.00 0.61 -2.88 0.00 0.00 179.24 177.54 2ai6 n GLY 18 N -1.30 0.55 2.82 -0.78 0.00 -1.26 -5.10 105.19 100.11 2ai6 n GLY 18 Ca 0.08 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 2ai6 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai6 s VAL 19 N 0.00 0.03 0.28 1.61 1.01 -1.26 -1.56 120.40 120.51 2ai6 s VAL 19 Ca 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 2ai6 s VAL 19 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.30 2ai6 s VAL 19 CO 0.00 0.08 0.80 0.72 0.00 0.00 0.00 175.10 176.70 2ai6 s PHE 20 N 0.69 -0.08 0.20 5.22 -0.71 -0.68 -4.88 117.98 117.74 2ai6 s PHE 20 Ca -0.06 -0.41 0.07 0.00 -1.04 0.00 0.00 56.93 55.48 2ai6 s PHE 20 Cb -0.09 0.73 -0.04 0.00 -1.21 0.00 0.00 43.02 42.42 2ai6 s PHE 20 CO -0.02 -1.24 0.10 0.15 -1.34 0.00 0.00 175.22 172.88 2ai6 s LYS 21 N -3.25 2.71 0.22 1.99 1.02 -1.26 -0.96 119.74 120.22 2ai6 s LYS 21 Ca 0.13 -1.03 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 2ai6 s LYS 21 Cb -0.05 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2ai6 s LYS 21 CO 0.07 0.45 0.25 1.52 -0.92 0.00 0.00 175.35 176.72 2ai6 s TYR 22 N -1.89 0.94 0.03 3.18 1.13 -0.41 -2.42 117.35 117.91 2ai6 s TYR 22 Ca 0.30 -1.20 -0.04 0.00 -1.41 0.00 0.00 57.07 54.73 2ai6 s TYR 22 Cb -0.09 -0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 40.43 2ai6 s TYR 22 CO 0.22 -0.77 0.07 0.54 -2.51 0.00 0.00 175.55 173.10 2ai6 s VAL 23 N -4.06 0.13 -0.23 -3.49 0.11 -0.14 -2.44 120.40 110.28 2ai6 s VAL 23 Ca 0.34 -1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 2ai6 s VAL 23 Cb 0.04 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.17 2ai6 s VAL 23 CO 0.12 -0.58 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.00 2ai6 s LEU 24 N -1.94 2.98 -0.06 2.54 2.96 -0.53 -2.64 118.68 122.00 2ai6 s LEU 24 Ca -0.08 -0.83 0.06 0.00 -0.22 0.00 0.00 54.13 53.06 2ai6 s LEU 24 Cb -0.03 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2ai6 s LEU 24 CO -0.03 -0.10 -0.25 0.27 -1.32 0.00 0.00 176.35 174.92 2ai6 s ILE 25 N 1.31 2.02 0.38 6.68 -4.36 -0.83 -0.66 121.20 125.74 2ai6 s ILE 25 Ca 0.01 -1.05 -0.19 0.00 -0.26 0.00 0.00 60.65 59.16 2ai6 s ILE 25 Cb -0.16 -1.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 2ai6 s ILE 25 CO -0.06 0.56 0.87 -0.60 0.24 0.00 0.00 174.94 175.95 2ai6 s ARG 26 N -0.13 4.18 0.00 0.37 3.52 0.38 -0.90 118.95 126.38 2ai6 s ARG 26 Ca -0.04 0.98 0.02 0.00 -0.13 0.00 0.00 55.73 56.55 2ai6 s ARG 26 Cb -0.14 -2.34 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2ai6 s ARG 26 CO 0.04 0.08 -0.06 0.08 -0.81 0.00 0.00 175.30 174.63 2ai6 s VAL 27 N -2.04 0.45 0.17 7.11 1.01 0.51 -1.88 120.40 125.73 2ai6 s VAL 27 Ca 0.58 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.31 2ai6 s VAL 27 Cb -0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2ai6 s VAL 27 CO 0.16 0.06 -0.10 -1.00 0.00 0.00 0.00 175.10 174.21 2ai6 s HIS 28 N -0.28 2.62 -1.18 5.22 0.09 -0.29 -1.30 115.29 120.17 2ai6 s HIS 28 Ca 0.01 -0.22 -0.23 0.00 -0.00 0.00 0.00 55.06 54.61 2ai6 s HIS 28 Cb -0.03 -1.29 -0.10 0.00 -0.00 0.00 0.00 32.58 31.15 2ai6 s HIS 28 CO -0.00 0.50 1.96 -1.12 -0.00 0.00 0.00 174.74 176.08 2ai6 s SER 29 N -2.76 4.84 -0.00 1.40 0.01 -0.03 -4.12 113.70 113.03 2ai6 s SER 29 Ca 0.24 -1.60 0.01 0.00 1.31 0.00 0.00 55.95 55.91 2ai6 s SER 29 Cb -0.09 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2ai6 s SER 29 CO 0.15 -3.29 0.67 0.00 0.41 0.00 0.00 173.24 171.18 2ai6 n ALA 30 N 15.03 1.35 -1.50 1.44 0.00 -1.26 -4.63 120.51 130.94 2ai6 n ALA 30 Ca 0.44 -0.72 -0.49 0.00 0.00 0.00 0.00 53.44 52.68 2ai6 n ALA 30 Cb 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2ai6 n ALA 30 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ai6 n PRO 31 N -0.16 0.57 -1.55 0.00 -0.02 -1.26 -1.13 135.00 131.45 2ai6 n PRO 31 Ca 0.00 0.20 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 2ai6 n PRO 31 Cb 0.46 -1.47 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 2ai6 n PRO 31 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ai6 n ARG 32 N 1.18 -1.56 -2.57 -0.52 5.12 0.40 -1.39 116.66 117.32 2ai6 n ARG 32 Ca 0.16 0.35 -0.12 0.00 -1.93 0.00 0.00 57.85 56.31 2ai6 n ARG 32 Cb 0.24 -4.59 -0.00 0.00 -1.16 0.00 0.00 32.46 26.95 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ai6 n SER 33 N -0.27 -3.50 0.00 0.55 7.64 -0.29 -4.74 113.62 113.02 2ai6 n SER 33 Ca -0.07 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ai6 n SER 33 Cb 0.31 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 2ai6 n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ai6 n GLY 34 N -0.81 1.00 3.67 0.23 0.00 -0.49 -5.10 105.19 103.69 2ai6 n GLY 34 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2ai6 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 n ALA 35 N 0.00 0.86 -1.30 4.61 0.00 -0.56 -4.92 120.51 119.20 2ai6 n ALA 35 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 2ai6 n ALA 35 Cb 0.06 -2.19 0.12 0.00 0.00 0.00 0.00 19.45 17.43 2ai6 n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ai6 s PRO 36 N -2.11 1.57 1.89 0.00 0.04 -1.26 -4.78 135.00 130.34 2ai6 s PRO 36 Ca 0.62 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2ai6 s PRO 36 Cb -0.53 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2ai6 s PRO 36 CO 0.58 -2.02 0.00 0.00 0.04 0.00 0.00 177.00 175.59 2ai6 n ALA 37 N -3.73 0.00 -2.70 8.56 0.00 -1.26 -4.69 120.51 116.69 2ai6 n ALA 37 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.50 2ai6 n ALA 37 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 2ai6 n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ai6 n ALA 38 N 0.38 2.77 -1.08 0.00 0.00 -1.26 -4.75 120.51 116.57 2ai6 n ALA 38 Ca 0.00 -2.78 -0.29 0.00 0.00 0.00 0.00 53.44 50.36 2ai6 n ALA 38 Cb 0.00 -0.80 0.16 0.00 0.00 0.00 0.00 19.45 18.81 2ai6 n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ai6 s GLU 39 N -3.20 0.77 0.05 0.00 2.02 -1.26 -4.68 118.70 112.39 2ai6 s GLU 39 Ca 0.30 0.80 -0.00 0.00 0.02 0.00 0.00 54.97 56.09 2ai6 s GLU 39 Cb 0.34 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 2ai6 s GLU 39 CO -0.05 -2.58 -0.04 -1.12 0.02 0.00 0.00 175.26 171.49 2ai6 s SER 40 N -3.26 0.57 0.17 -0.19 0.01 -1.26 -0.85 113.70 108.88 2ai6 s SER 40 Ca 0.65 -0.92 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 2ai6 s SER 40 Cb -0.19 0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2ai6 s SER 40 CO 0.58 -0.53 0.37 -1.59 0.41 0.00 0.00 173.24 172.49 2ai6 s LYS 41 N -3.49 1.20 0.17 12.44 0.00 -0.42 -4.99 119.74 124.66 2ai6 s LYS 41 Ca 0.04 -1.00 0.06 0.00 0.00 0.00 0.00 55.97 55.07 2ai6 s LYS 41 Cb 0.05 0.43 -0.04 0.00 0.00 0.00 0.00 37.83 38.27 2ai6 s LYS 41 CO -0.08 -0.47 0.07 -1.21 0.00 0.00 0.00 175.35 173.66 2ai6 s GLU 42 N -3.91 2.65 0.08 1.78 8.01 -1.26 -0.36 118.70 125.69 2ai6 s GLU 42 Ca 0.12 -1.00 0.03 0.00 0.01 0.00 0.00 54.97 54.13 2ai6 s GLU 42 Cb 0.02 -2.50 -0.03 0.00 -4.31 0.00 0.00 34.13 27.31 2ai6 s GLU 42 CO -0.03 0.47 -0.09 0.96 0.01 0.00 0.00 175.26 176.58 2ai6 s ILE 43 N -1.76 0.78 -0.15 -1.63 -4.36 -0.08 -4.97 121.20 109.03 2ai6 s ILE 43 Ca 0.29 -1.59 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2ai6 s ILE 43 Cb -0.10 -1.28 0.01 0.00 1.25 0.00 0.00 42.46 42.35 2ai6 s ILE 43 CO 0.21 -0.61 -0.21 -0.69 0.24 0.00 0.00 174.94 173.89 2ai6 s VAL 44 N -2.53 2.13 0.04 8.37 1.01 -0.89 -1.96 120.40 126.57 2ai6 s VAL 44 Ca 0.04 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2ai6 s VAL 44 Cb -0.02 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 2ai6 s VAL 44 CO -0.01 0.54 -0.08 -0.13 0.00 0.00 0.00 175.10 175.41 2ai6 s ARG 45 N 0.97 0.56 -0.29 2.72 1.81 -1.08 -2.61 118.95 121.04 2ai6 s ARG 45 Ca -0.03 -0.72 -0.22 0.00 -1.72 0.00 0.00 55.73 53.04 2ai6 s ARG 45 Cb -0.15 -0.39 0.16 0.00 -0.45 0.00 0.00 34.95 34.13 2ai6 s ARG 45 CO -0.05 0.08 1.20 0.20 -0.68 0.00 0.00 175.30 176.05 2ai6 s GLY 46 N -1.42 0.17 -0.00 -3.53 0.00 -1.23 -0.96 107.32 100.34 2ai6 s GLY 46 Ca -0.07 3.23 -0.16 0.00 0.00 0.00 0.00 44.72 47.71 2ai6 s GLY 46 CO 0.01 2.14 0.34 -0.19 0.00 0.00 0.00 173.10 175.39 2ai6 s TYR 47 N 0.46 -0.20 0.27 1.90 2.02 -1.01 -1.52 117.35 119.27 2ai6 s TYR 47 Ca 0.01 0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.94 2ai6 s TYR 47 Cb -0.04 0.12 0.37 0.00 -0.40 0.00 0.00 41.96 42.01 2ai6 s TYR 47 CO -0.12 -0.43 1.93 -0.22 -1.57 0.00 0.00 175.55 175.14 2ai6 h LYS 48 N 3.66 1.19 -0.03 -0.62 3.11 -1.90 -2.47 116.57 119.52 2ai6 h LYS 48 Ca -0.30 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2ai6 h LYS 48 Cb 1.18 -0.27 -0.00 0.00 -1.00 0.00 0.00 32.23 32.14 2ai6 h LYS 48 CO 0.41 0.79 0.01 0.11 -2.81 0.00 0.00 179.45 177.95 2ai6 h TRP 49 N 1.22 0.03 -1.48 1.91 5.08 -1.96 -2.95 115.95 117.80 2ai6 h TRP 49 Ca 0.37 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 59.60 2ai6 h TRP 49 Cb -0.04 -0.01 -0.14 0.00 -3.00 0.00 0.00 29.16 25.97 2ai6 h TRP 49 CO -0.00 0.03 1.90 0.00 -1.28 0.00 0.00 178.44 179.09 2ai6 n ALA 50 N -2.53 4.54 0.21 0.11 0.00 -0.93 -4.78 120.51 117.13 2ai6 n ALA 50 Ca -0.03 -4.18 0.03 0.00 0.00 0.00 0.00 53.44 49.26 2ai6 n ALA 50 Cb 0.10 -3.15 0.12 0.00 0.00 0.00 0.00 19.45 16.52 2ai6 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ai6 n GLU 51 N 5.42 0.03 -3.88 0.00 1.02 -1.12 -4.49 120.64 117.63 2ai6 n GLU 51 Ca 0.41 0.33 -0.13 0.00 -0.02 0.00 0.00 57.16 57.76 2ai6 n GLU 51 Cb 0.40 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ai6 s TYR 52 N -2.82 0.05 0.51 -0.32 1.13 -1.26 -4.96 117.35 109.68 2ai6 s TYR 52 Ca 0.04 0.01 0.16 0.00 -1.41 0.00 0.00 57.07 55.87 2ai6 s TYR 52 Cb 0.04 -0.06 1.23 0.00 -1.10 0.00 0.00 41.96 42.06 2ai6 s TYR 52 CO 0.09 -0.02 2.12 0.45 -2.51 0.00 0.00 175.55 175.69 2ai6 h HIS 53 N 6.32 0.00 -0.08 -3.49 3.86 -1.89 -1.09 115.15 118.78 2ai6 h HIS 53 Ca -0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2ai6 h HIS 53 Cb 1.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ai6 h HIS 53 CO 0.43 0.03 0.06 0.00 0.86 0.00 0.00 177.93 179.30 2ai6 h ALA 54 N 1.97 1.95 -0.23 2.45 0.00 -1.96 -1.06 119.26 122.37 2ai6 h ALA 54 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ai6 h ALA 54 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ai6 h ALA 54 CO 0.00 0.04 -0.02 0.22 0.00 0.00 0.00 179.25 179.50 2ai6 h ASP 55 N 0.10 0.41 -0.38 0.00 3.58 -1.56 -0.89 116.42 117.69 2ai6 h ASP 55 Ca 0.03 -0.33 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 2ai6 h ASP 55 Cb -0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2ai6 h ASP 55 CO -0.01 0.64 -0.20 0.16 -2.88 0.00 0.00 179.24 176.96 2ai6 h ILE 56 N 0.17 1.28 -0.39 2.25 3.07 -1.60 -1.20 117.51 121.10 2ai6 h ILE 56 Ca 0.06 -1.33 0.00 0.00 1.55 0.00 0.00 64.86 65.15 2ai6 h ILE 56 Cb 0.44 1.33 -0.02 0.00 -0.27 0.00 0.00 36.82 38.30 2ai6 h ILE 56 CO 0.02 0.44 0.26 0.22 -1.05 0.00 0.00 178.15 178.03 2ai6 h TYR 57 N 0.60 0.48 -0.10 0.16 3.20 -1.11 0.11 116.97 120.31 2ai6 h TYR 57 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2ai6 h TYR 57 Cb 0.75 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2ai6 h TYR 57 CO 0.06 0.30 0.05 0.22 -1.64 0.00 0.00 178.16 177.15 2ai6 h ASP 58 N 0.52 0.14 -0.03 -2.11 3.58 -1.09 0.69 116.42 118.12 2ai6 h ASP 58 Ca 0.14 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2ai6 h ASP 58 Cb -0.06 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2ai6 h ASP 58 CO -0.03 0.22 0.02 0.50 -2.88 0.00 0.00 179.24 177.06 2ai6 h LYS 59 N 0.04 0.04 -0.10 0.28 3.64 -1.04 -0.66 116.57 118.78 2ai6 h LYS 59 Ca 0.04 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2ai6 h LYS 59 Cb 0.12 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2ai6 h LYS 59 CO -0.00 0.14 -0.32 0.28 -2.27 0.00 0.00 179.45 177.28 2ai6 h VAL 60 N -0.06 1.39 -0.59 2.00 2.07 -0.74 -1.35 116.25 118.97 2ai6 h VAL 60 Ca 0.01 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.88 2ai6 h VAL 60 Cb 0.11 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2ai6 h VAL 60 CO -0.00 0.48 0.36 -1.28 0.02 0.00 0.00 177.57 177.15 2ai6 h SER 61 N -0.05 0.70 -0.06 0.57 0.87 -0.89 0.85 113.55 115.55 2ai6 h SER 61 Ca -0.01 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2ai6 h SER 61 Cb 0.94 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2ai6 h SER 61 CO 0.07 0.54 -0.04 1.23 -0.53 0.00 0.00 176.83 178.10 2ai6 h GLY 62 N 0.85 0.01 0.90 5.77 0.00 -0.87 0.56 103.07 110.30 2ai6 h GLY 62 Ca 0.21 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2ai6 h GLY 62 CO -0.04 -0.05 0.09 -1.80 0.00 0.00 0.00 176.54 174.74 2ai6 h ASP 63 N -0.05 0.34 -0.47 0.19 1.82 -0.42 0.19 116.42 118.02 2ai6 h ASP 63 Ca 0.04 -0.17 0.03 0.00 -0.39 0.00 0.00 57.03 56.54 2ai6 h ASP 63 Cb 0.10 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 39.99 2ai6 h ASP 63 CO -0.09 0.42 0.25 0.24 -1.61 0.00 0.00 179.24 178.45 2ai6 h MET 64 N 0.24 0.49 -0.17 0.28 2.86 -0.76 0.04 114.93 117.91 2ai6 h MET 64 Ca 0.08 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2ai6 h MET 64 Cb 0.19 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2ai6 h MET 64 CO -0.01 0.32 -0.19 1.96 1.06 0.00 0.00 176.91 180.05 2ai6 h GLN 65 N 0.50 0.29 -0.56 1.72 4.20 -0.69 0.10 115.11 120.67 2ai6 h GLN 65 Ca 0.20 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 65 Cb 0.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2ai6 h GLN 65 CO -0.12 0.48 0.21 -0.22 -0.67 0.00 0.00 178.83 178.51 2ai6 h LYS 66 N 0.27 0.85 -0.97 1.46 3.11 -0.17 -2.12 116.57 119.00 2ai6 h LYS 66 Ca 0.05 -0.16 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 2ai6 h LYS 66 Cb 0.50 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.54 2ai6 h LYS 66 CO 0.03 0.74 0.62 1.96 -2.81 0.00 0.00 179.45 179.99 2ai6 h GLN 67 N 0.77 1.29 0.00 1.90 4.20 -0.21 -3.47 115.11 119.59 2ai6 h GLN 67 Ca 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2ai6 h GLN 67 Cb 0.22 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.72 2ai6 h GLN 67 CO -0.01 0.88 0.00 0.41 -0.67 0.00 0.00 178.83 179.43 2ai6 n GLY 68 N -1.32 0.05 3.47 3.46 0.00 0.16 -0.46 105.19 110.56 2ai6 n GLY 68 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2ai6 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ASP 70 N -3.69 1.36 0.22 0.00 2.15 -1.26 -4.11 116.67 111.35 2ai6 s ASP 70 Ca 0.71 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 53.21 2ai6 s ASP 70 Cb -0.10 -0.09 -0.01 0.00 -0.30 0.00 0.00 42.92 42.42 2ai6 s ASP 70 CO 0.56 0.02 0.36 0.00 -0.17 0.00 0.00 175.17 175.94 2ai6 s GLU 72 N -4.05 0.64 -0.16 0.00 -1.05 -0.79 -4.99 118.70 108.31 2ai6 s GLU 72 Ca 0.26 0.80 -0.29 0.00 -0.15 0.00 0.00 54.97 55.59 2ai6 s GLU 72 Cb 0.02 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 2ai6 s GLU 72 CO 0.09 -0.09 1.50 0.00 0.95 0.00 0.00 175.26 177.71 2ai6 h LEU 74 N 10.56 0.00 0.00 0.00 3.38 -1.25 -3.48 115.31 124.53 2ai6 h LEU 74 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2ai6 h LEU 74 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 74 CO 0.98 0.42 0.00 0.61 0.09 0.00 0.00 178.44 180.54 2ai6 n GLY 75 N 0.46 -1.10 0.00 0.83 0.00 -1.22 -4.60 105.19 99.56 2ai6 n GLY 75 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2ai6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 76 N 0.00 2.14 0.00 -0.02 0.00 -0.64 -1.46 105.19 105.22 2ai6 n GLY 76 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2ai6 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 77 N 0.00 -0.68 3.12 -0.02 0.00 -1.02 -1.37 105.19 105.22 2ai6 n GLY 77 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2ai6 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ai6 s ARG 78 N -0.04 0.68 0.00 1.61 3.52 0.26 -1.29 118.95 123.69 2ai6 s ARG 78 Ca 0.00 -0.97 0.02 0.00 -0.13 0.00 0.00 55.73 54.65 2ai6 s ARG 78 Cb 0.00 -0.38 -0.01 0.00 -1.56 0.00 0.00 34.95 33.00 2ai6 s ARG 78 CO 0.00 0.06 -0.05 0.42 -0.81 0.00 0.00 175.30 174.91 2ai6 s ILE 79 N -2.02 0.42 0.04 4.11 1.01 -0.13 -1.10 121.20 123.53 2ai6 s ILE 79 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 2ai6 s ILE 79 Cb -0.06 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.03 2ai6 s ILE 79 CO -0.00 0.04 0.14 -0.44 0.00 0.00 0.00 174.94 174.67 2ai6 s SER 80 N -0.34 0.11 -0.08 3.58 0.01 -0.72 -1.68 113.70 114.57 2ai6 s SER 80 Ca 0.00 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 2ai6 s SER 80 Cb -0.03 0.25 0.10 0.00 0.21 0.00 0.00 66.02 66.55 2ai6 s SER 80 CO -0.00 -0.52 0.87 -1.38 0.41 0.00 0.00 173.24 172.62 2ai6 s HIS 81 N -2.49 -0.45 0.22 2.43 -3.43 -0.60 -1.09 115.29 109.89 2ai6 s HIS 81 Ca -0.06 0.66 -0.08 0.00 -0.80 0.00 0.00 55.06 54.78 2ai6 s HIS 81 Cb -0.02 0.46 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 2ai6 s HIS 81 CO -0.04 -0.48 0.32 -0.65 -2.00 0.00 0.00 174.74 171.90 2ai6 s GLN 82 N -1.68 1.39 0.53 -0.38 -0.21 -0.70 -4.55 119.66 114.05 2ai6 s GLN 82 Ca -0.03 -1.41 0.19 0.00 0.02 0.00 0.00 55.36 54.13 2ai6 s GLN 82 Cb -0.00 0.38 1.34 0.00 1.00 0.00 0.00 33.01 35.73 2ai6 s GLN 82 CO 0.01 -0.53 2.13 0.77 -2.12 0.00 0.00 175.29 175.55 2ai6 h SER 83 N 2.42 0.00 -0.66 5.90 0.02 -2.00 -1.82 113.55 117.40 2ai6 h SER 83 Ca -0.30 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 2ai6 h SER 83 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 2ai6 h SER 83 CO 0.43 0.00 0.25 -0.61 -1.14 0.00 0.00 176.83 175.76 2ai6 h GLN 84 N 0.00 1.03 -1.17 3.45 4.15 -2.03 -3.42 115.11 117.11 2ai6 h GLN 84 Ca 0.04 -0.19 0.06 0.00 0.77 0.00 0.00 58.65 59.34 2ai6 h GLN 84 Cb 0.18 -0.17 -0.22 0.00 0.21 0.00 0.00 27.48 27.48 2ai6 h GLN 84 CO -0.00 0.85 -0.29 0.34 -1.93 0.00 0.00 178.83 177.81 2ai6 s ASP 85 N -6.46 -1.18 0.26 -0.69 2.15 -0.72 -5.05 116.67 104.99 2ai6 s ASP 85 Ca -0.11 0.85 0.26 0.00 0.43 0.00 0.00 52.55 53.98 2ai6 s ASP 85 Cb 0.16 2.05 0.79 0.00 -0.30 0.00 0.00 42.92 45.62 2ai6 s ASP 85 CO 0.82 -0.26 1.75 0.07 -0.17 0.00 0.00 175.17 177.38 2ai6 h LYS 86 N 8.02 0.00 -6.53 4.34 2.10 -1.74 -1.87 116.57 120.90 2ai6 h LYS 86 Ca -0.22 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 57.88 2ai6 h LYS 86 Cb 1.16 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.53 2ai6 h LYS 86 CO 0.25 0.00 0.99 1.17 -2.00 0.00 0.00 179.45 179.86 2ai6 n LYS 87 N -2.41 2.56 -1.08 0.07 4.81 -1.26 -4.76 118.16 116.08 2ai6 n LYS 87 Ca 0.05 0.93 -0.31 0.00 -0.87 0.00 0.00 58.31 58.10 2ai6 n LYS 87 Cb 0.41 -2.77 0.12 0.00 0.02 0.00 0.00 35.03 32.81 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2ai6 s ILE 88 N 1.85 2.89 0.01 3.15 1.01 -0.83 -4.72 121.20 124.57 2ai6 s ILE 88 Ca 0.80 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 2ai6 s ILE 88 Cb -0.56 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2ai6 s ILE 88 CO 0.37 -0.38 0.02 -2.28 0.00 0.00 0.00 174.94 172.67 2ai6 s HIS 89 N -2.80 0.20 -0.04 3.97 2.46 -0.25 -2.45 115.29 116.37 2ai6 s HIS 89 Ca 0.63 -0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.78 2ai6 s HIS 89 Cb -0.19 -0.15 0.01 0.00 -0.13 0.00 0.00 32.58 32.12 2ai6 s HIS 89 CO 0.56 -0.21 -0.11 0.08 -2.47 0.00 0.00 174.74 172.59 2ai6 s VAL 90 N -1.41 1.00 0.20 0.89 1.01 -0.56 -1.76 120.40 119.77 2ai6 s VAL 90 Ca -0.15 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2ai6 s VAL 90 Cb -0.09 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2ai6 s VAL 90 CO -0.00 0.31 0.40 0.00 0.00 0.00 0.00 175.10 175.81 2ai6 n TYR 91 N 3.51 -1.67 -4.41 5.22 4.11 -0.26 -2.10 117.16 121.57 2ai6 n TYR 91 Ca -0.21 -0.96 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 2ai6 n TYR 91 Cb 0.53 0.47 0.00 0.00 -0.00 0.00 0.00 39.34 40.34 2ai6 n TYR 91 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2ai6 n GLY 92 N -0.27 -0.69 3.27 -7.48 0.00 -0.14 -0.57 105.19 99.31 2ai6 n GLY 92 Ca -0.04 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2ai6 n GLY 92 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ai6 s TYR 93 N 0.00 -0.18 0.19 1.61 1.13 -1.26 -4.73 117.35 114.12 2ai6 s TYR 93 Ca 0.00 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 2ai6 s TYR 93 Cb 0.00 0.13 -0.09 0.00 -1.10 0.00 0.00 41.96 40.90 2ai6 s TYR 93 CO 0.00 -0.49 1.40 0.45 -2.51 0.00 0.00 175.55 174.40 2ai6 s SER 94 N -1.79 6.77 0.57 -0.18 0.15 -0.47 -4.44 113.70 114.31 2ai6 s SER 94 Ca -0.08 2.49 0.28 0.00 0.70 0.00 0.00 55.95 59.34 2ai6 s SER 94 Cb -0.02 -2.61 1.52 0.00 -1.71 0.00 0.00 66.02 63.20 2ai6 s SER 94 CO -0.00 -0.64 2.00 -0.03 1.20 0.00 0.00 173.24 175.77 2ai6 h MET 95 N 5.73 0.00 0.00 5.44 4.05 -1.92 -1.68 114.93 126.55 2ai6 h MET 95 Ca -0.44 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.93 2ai6 h MET 95 Cb 1.21 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2ai6 h MET 95 CO 0.81 0.00 -1.30 0.00 0.23 0.00 0.00 176.91 176.65 2ai6 n ALA 96 N -2.43 2.05 -0.56 0.39 0.00 -1.26 -4.81 120.51 113.89 2ai6 n ALA 96 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2ai6 n ALA 96 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2ai6 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ai6 n TYR 97 N -1.93 0.00 -2.23 0.00 4.01 -1.21 -5.11 117.16 110.69 2ai6 n TYR 97 Ca -0.05 -0.10 0.05 0.00 -0.16 0.00 0.00 57.90 57.64 2ai6 n TYR 97 Cb 0.39 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 2ai6 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ai6 n GLY 98 N -0.10 -1.90 3.73 2.72 0.00 -0.64 -4.42 105.19 104.58 2ai6 n GLY 98 Ca 0.00 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 2ai6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ai6 s PRO 99 N -0.87 4.36 1.05 1.61 0.04 -1.26 -1.38 135.00 138.55 2ai6 s PRO 99 Ca 0.00 2.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 2ai6 s PRO 99 Cb 0.00 -3.21 0.21 0.00 0.04 0.00 0.00 34.50 31.54 2ai6 s PRO 99 CO 0.00 -0.32 1.14 0.00 0.04 0.00 0.00 177.00 177.86 2ai6 s ALA 100 N 0.45 1.16 -1.25 8.56 0.00 -1.11 -4.62 121.76 124.95 2ai6 s ALA 100 Ca 0.59 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2ai6 s ALA 100 Cb -0.37 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2ai6 s ALA 100 CO 0.36 -2.94 2.03 1.04 0.00 0.00 0.00 175.76 176.25 2ai6 n GLN 101 N -4.24 2.51 0.31 0.00 6.02 -1.26 -4.79 117.38 115.93 2ai6 n GLN 101 Ca 0.09 -2.57 0.18 0.00 -0.01 0.00 0.00 57.00 54.70 2ai6 n GLN 101 Cb 0.59 -3.29 0.97 0.00 1.02 0.00 0.00 30.24 29.53 2ai6 n GLN 101 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2ai6 h HIS 102 N 7.09 0.00 -0.99 1.08 3.86 -1.97 0.72 115.15 124.95 2ai6 h HIS 102 Ca 0.48 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.83 2ai6 h HIS 102 Cb 0.72 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.10 2ai6 h HIS 102 CO 1.38 0.00 0.61 0.00 0.86 0.00 0.00 177.93 180.78 2ai6 h ALA 103 N 1.74 1.52 0.04 2.45 0.00 -2.00 -0.90 119.26 122.11 2ai6 h ALA 103 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ai6 h ALA 103 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ai6 h ALA 103 CO 0.00 0.13 -0.02 0.82 0.00 0.00 0.00 179.25 180.19 2ai6 h ILE 104 N 0.91 1.01 -0.34 0.00 1.08 -1.26 -1.37 117.51 117.54 2ai6 h ILE 104 Ca 0.51 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.90 2ai6 h ILE 104 Cb 0.59 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 2ai6 h ILE 104 CO -0.30 0.03 0.07 0.28 -0.69 0.00 0.00 178.15 177.55 2ai6 h SER 105 N -0.11 0.02 -0.30 1.72 0.02 -1.36 0.12 113.55 113.67 2ai6 h SER 105 Ca -0.01 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2ai6 h SER 105 Cb 0.09 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2ai6 h SER 105 CO 0.01 0.05 0.17 0.71 -1.14 0.00 0.00 176.83 176.62 2ai6 h THR 106 N 0.19 1.03 -0.34 -2.27 1.35 -1.17 -0.55 112.91 111.14 2ai6 h THR 106 Ca 0.16 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 2ai6 h THR 106 Cb 0.18 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 2ai6 h THR 106 CO -0.21 0.06 0.23 -0.33 -0.25 0.00 0.00 175.52 175.02 2ai6 h GLU 107 N 0.35 0.45 -0.13 4.72 4.39 -0.14 0.42 114.58 124.64 2ai6 h GLU 107 Ca 0.12 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2ai6 h GLU 107 Cb 0.01 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2ai6 h GLU 107 CO -0.06 0.30 -0.06 0.87 -1.16 0.00 0.00 179.01 178.90 2ai6 h LYS 108 N 0.47 0.28 -0.47 2.33 1.79 -0.74 -0.92 116.57 119.31 2ai6 h LYS 108 Ca 0.13 -0.12 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2ai6 h LYS 108 Cb -0.05 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2ai6 h LYS 108 CO -0.03 0.60 -0.05 0.82 -1.08 0.00 0.00 179.45 179.71 2ai6 h ILE 109 N -0.06 1.25 -0.38 1.86 2.04 -0.99 -0.73 117.51 120.49 2ai6 h ILE 109 Ca 0.03 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2ai6 h ILE 109 Cb 0.52 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2ai6 h ILE 109 CO 0.02 0.38 0.16 0.11 0.00 0.00 0.00 178.15 178.82 2ai6 h LYS 110 N 0.74 0.57 -0.91 2.37 1.57 -0.84 0.11 116.57 120.17 2ai6 h LYS 110 Ca 0.13 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ai6 h LYS 110 Cb 0.53 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 2ai6 h LYS 110 CO 0.03 0.53 0.56 0.00 -0.57 0.00 0.00 179.45 180.00 2ai6 h ALA 111 N 1.00 1.26 0.00 3.86 0.00 -0.60 -2.80 119.26 121.99 2ai6 h ALA 111 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ai6 h ALA 111 Cb 0.17 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ai6 h ALA 111 CO -0.01 0.64 -0.86 1.63 0.00 0.00 0.00 179.25 180.65 2ai6 n LYS 112 N -4.36 0.43 -3.92 0.00 4.01 -0.33 -5.02 118.16 108.97 2ai6 n LYS 112 Ca 0.10 0.09 -0.35 0.00 -0.51 0.00 0.00 58.31 57.64 2ai6 n LYS 112 Cb 0.06 -1.74 0.01 0.00 -0.51 0.00 0.00 35.03 32.85 2ai6 n LYS 112 CO 0.00 0.00 0.00 2.48 -1.11 0.00 0.00 177.40 178.77 2ai6 n TYR 113 N -2.35 -1.57 0.10 2.13 4.11 0.38 -4.87 117.16 115.09 2ai6 n TYR 113 Ca 0.02 0.39 0.20 0.00 -0.00 0.00 0.00 57.90 58.50 2ai6 n TYR 113 Cb 0.49 -2.59 0.71 0.00 -0.00 0.00 0.00 39.34 37.95 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2ai6 h PRO 114 N -1.36 0.00 0.00 -3.48 0.11 -1.91 -3.37 132.00 121.99 2ai6 h PRO 114 Ca -0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.46 2ai6 h PRO 114 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2ai6 h PRO 114 CO 0.42 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.74 2ai6 n ASP 115 N -3.53 0.08 0.01 -2.05 2.03 -1.26 -5.09 116.55 106.74 2ai6 n ASP 115 Ca 0.08 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2ai6 n ASP 115 Cb 0.69 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 2ai6 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ai6 n TYR 116 N -2.66 -2.03 -3.90 -0.67 9.36 -1.26 -5.13 117.16 110.87 2ai6 n TYR 116 Ca 0.00 0.09 -0.09 0.00 3.32 0.00 0.00 57.90 61.22 2ai6 n TYR 116 Cb 0.00 0.57 -0.05 0.00 -0.63 0.00 0.00 39.34 39.24 2ai6 n TYR 116 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2ai6 s GLU 117 N -2.00 1.45 0.09 2.98 2.12 -1.26 -4.77 118.70 117.30 2ai6 s GLU 117 Ca 0.00 -1.10 -0.14 0.00 0.36 0.00 0.00 54.97 54.09 2ai6 s GLU 117 Cb 0.00 0.48 0.02 0.00 0.26 0.00 0.00 34.13 34.89 2ai6 s GLU 117 CO 0.00 -0.60 0.33 0.54 -0.54 0.00 0.00 175.26 174.98 2ai6 s VAL 118 N -3.96 0.09 0.33 3.70 0.11 -1.26 -1.96 120.40 117.45 2ai6 s VAL 118 Ca 0.17 -0.74 0.04 0.00 -2.93 0.00 0.00 61.98 58.51 2ai6 s VAL 118 Cb -0.00 -1.14 -0.03 0.00 -1.53 0.00 0.00 36.38 33.67 2ai6 s VAL 118 CO 0.04 -0.41 0.18 0.42 -3.33 0.00 0.00 175.10 171.99 2ai6 s THR 119 N -3.40 0.30 0.16 5.04 -4.23 -1.03 -4.96 115.64 107.52 2ai6 s THR 119 Ca 0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2ai6 s THR 119 Cb 0.02 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 2ai6 s THR 119 CO -0.09 0.00 0.07 -1.66 -0.54 0.00 0.00 174.62 172.40 2ai6 s TRP 120 N -3.51 0.99 -0.04 3.99 1.48 -1.26 -1.50 118.94 119.09 2ai6 s TRP 120 Ca 0.35 -1.25 -0.06 0.00 -1.06 0.00 0.00 56.10 54.07 2ai6 s TRP 120 Cb 0.04 -0.53 0.01 0.00 -1.16 0.00 0.00 33.47 31.83 2ai6 s TRP 120 CO 0.19 -0.52 0.16 0.00 -4.06 0.00 0.00 176.95 172.72 2ai6 s ALA 121 N -4.03 -0.38 -0.42 2.67 0.00 -0.89 -4.94 121.76 113.76 2ai6 s ALA 121 Ca 0.28 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 2ai6 s ALA 121 Cb 0.07 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.13 2ai6 s ALA 121 CO 0.05 -0.12 2.64 -1.71 0.00 0.00 0.00 175.76 176.62 2ai6 n ASN 122 N 2.50 6.45 -2.90 0.00 5.15 -1.26 -4.18 115.26 121.02 2ai6 n ASN 122 Ca -0.16 -3.16 -0.13 0.00 -0.60 0.00 0.00 54.58 50.53 2ai6 n ASN 122 Cb 0.58 -1.20 -0.02 0.00 -0.53 0.00 0.00 39.78 38.61 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ai6 n ASP 123 N 0.80 -1.52 -0.15 1.20 2.03 -1.26 -4.97 116.55 112.67 2ai6 n ASP 123 Ca 0.45 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.98 2ai6 n ASP 123 Cb 0.57 2.74 0.00 0.00 -0.72 0.00 0.00 41.12 43.71 2ai6 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 124 N -0.55 -0.77 0.00 0.27 0.00 -1.26 -0.96 105.19 101.91 2ai6 n GLY 124 Ca -0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2ai6 n GLY 124 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30