#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 0.03 0.25 -5.12 0.00 -1.26 -5.19 121.76 110.47 2ai6 s ALA 2 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 2ai6 s ALA 2 Cb 0.00 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2ai6 s ALA 2 CO 0.00 -0.50 0.63 0.54 0.00 0.00 0.00 175.76 176.43 2ai6 s VAL 3 N -3.90 0.00 0.14 0.00 0.11 -1.26 -4.76 120.40 110.73 2ai6 s VAL 3 Ca 0.09 -0.92 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2ai6 s VAL 3 Cb 0.05 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 33.05 2ai6 s VAL 3 CO -0.08 -0.02 0.17 0.00 -3.33 0.00 0.00 175.10 171.84 2ai6 n ALA 4 N -0.42 0.03 -2.78 1.54 0.00 -1.26 -5.01 120.51 112.61 2ai6 n ALA 4 Ca -0.06 -0.72 -0.10 0.00 0.00 0.00 0.00 53.44 52.56 2ai6 n ALA 4 Cb 0.61 0.58 -0.09 0.00 0.00 0.00 0.00 19.45 20.55 2ai6 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ai6 s ASP 5 N -1.92 0.13 0.41 0.00 2.15 -1.26 -4.66 116.67 111.53 2ai6 s ASP 5 Ca 0.14 -0.47 0.18 0.00 0.43 0.00 0.00 52.55 52.83 2ai6 s ASP 5 Cb 0.00 0.24 1.10 0.00 -0.30 0.00 0.00 42.92 43.96 2ai6 s ASP 5 CO 0.10 -0.51 1.82 -0.07 -0.17 0.00 0.00 175.17 176.33 2ai6 h LEU 6 N 3.65 0.42 -1.70 -1.34 3.38 -1.97 -0.62 115.31 117.12 2ai6 h LEU 6 Ca -0.32 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2ai6 h LEU 6 Cb 1.19 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 6 CO 0.49 0.13 -0.14 0.00 0.09 0.00 0.00 178.44 179.02 2ai6 h ALA 7 N 1.60 1.17 0.00 1.53 0.00 -2.04 -2.71 119.26 118.82 2ai6 h ALA 7 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2ai6 h ALA 7 Cb 1.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2ai6 h ALA 7 CO -0.22 0.17 -0.26 -0.07 0.00 0.00 0.00 179.25 178.87 2ai6 h LEU 8 N 0.00 0.00 -9.67 0.00 3.38 -1.53 -3.46 115.31 104.03 2ai6 h LEU 8 Ca -0.00 -0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 2ai6 h LEU 8 Cb 0.45 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.26 2ai6 h LEU 8 CO 0.02 0.00 0.89 -0.63 0.09 0.00 0.00 178.44 178.81 2ai6 s ILE 9 N -3.24 2.40 -0.25 1.22 1.01 -1.02 -4.91 121.20 116.41 2ai6 s ILE 9 Ca 0.05 0.30 -0.32 0.00 0.00 0.00 0.00 60.65 60.68 2ai6 s ILE 9 Cb 0.07 -3.19 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 2ai6 s ILE 9 CO 0.70 0.03 2.15 -2.65 0.00 0.00 0.00 174.94 175.17 2ai6 n PRO 10 N 3.42 1.65 0.04 2.79 -0.02 -1.26 -4.86 135.00 136.75 2ai6 n PRO 10 Ca 0.12 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 61.98 2ai6 n PRO 10 Cb 0.38 -2.83 0.01 0.00 -0.02 0.00 0.00 33.50 31.04 2ai6 n PRO 10 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ai6 h ASP 11 N 13.00 0.55 -3.64 2.55 3.58 -1.93 -3.44 116.42 127.10 2ai6 h ASP 11 Ca -0.37 -0.36 -0.25 0.00 0.42 0.00 0.00 57.03 56.47 2ai6 h ASP 11 Cb 1.28 -0.16 -0.30 0.00 1.72 0.00 0.00 39.33 41.86 2ai6 h ASP 11 CO 0.98 1.11 -0.69 -0.69 -2.88 0.00 0.00 179.24 177.07 2ai6 s VAL 12 N -3.63 -0.02 -0.27 2.25 1.01 -1.26 -1.99 120.40 116.49 2ai6 s VAL 12 Ca -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ai6 s VAL 12 Cb 0.10 -0.08 0.16 0.00 0.00 0.00 0.00 36.38 36.56 2ai6 s VAL 12 CO 0.85 0.04 0.46 -0.62 0.00 0.00 0.00 175.10 175.83 2ai6 s ASP 13 N 0.48 -0.34 0.07 3.32 2.15 -0.98 -5.01 116.67 116.36 2ai6 s ASP 13 Ca -0.04 0.36 -0.05 0.00 0.43 0.00 0.00 52.55 53.25 2ai6 s ASP 13 Cb -0.06 1.48 -0.02 0.00 -0.30 0.00 0.00 42.92 44.03 2ai6 s ASP 13 CO -0.02 -0.29 0.09 0.27 -0.17 0.00 0.00 175.17 175.05 2ai6 s ILE 14 N 2.66 0.18 0.78 4.11 -4.36 -1.26 -3.60 121.20 119.70 2ai6 s ILE 14 Ca 0.15 -1.48 -0.11 0.00 -0.26 0.00 0.00 60.65 58.95 2ai6 s ILE 14 Cb -0.15 -1.43 0.06 0.00 1.25 0.00 0.00 42.46 42.19 2ai6 s ILE 14 CO -0.19 -0.81 1.09 -0.62 0.24 0.00 0.00 174.94 174.64 2ai6 s ASP 15 N -2.89 4.49 -0.15 4.36 2.15 -0.90 -5.00 116.67 118.73 2ai6 s ASP 15 Ca 0.06 1.77 0.15 0.00 0.43 0.00 0.00 52.55 54.96 2ai6 s ASP 15 Cb 0.06 -2.48 0.33 0.00 -0.30 0.00 0.00 42.92 40.54 2ai6 s ASP 15 CO -0.10 -2.03 1.21 -1.20 -0.17 0.00 0.00 175.17 172.87 2ai6 n SER 16 N -3.52 -0.01 0.00 -0.34 7.64 -1.26 -4.94 113.62 111.19 2ai6 n SER 16 Ca 0.09 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2ai6 n SER 16 Cb 0.53 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ai6 n ASP 17 N -0.42 0.81 -1.24 6.43 2.03 -1.26 -4.97 116.55 117.93 2ai6 n ASP 17 Ca -0.09 -0.10 -0.01 0.00 0.52 0.00 0.00 54.79 55.11 2ai6 n ASP 17 Cb 0.88 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 2ai6 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 18 N 0.60 2.29 3.75 0.27 0.00 -1.26 -5.09 105.19 105.75 2ai6 n GLY 18 Ca 0.00 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.74 3.80 0.27 1.61 1.01 -1.26 -4.56 120.40 118.53 2ai6 s VAL 19 Ca 0.03 1.67 -0.21 0.00 0.00 0.00 0.00 61.98 63.47 2ai6 s VAL 19 Cb -0.00 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.34 2ai6 s VAL 19 CO 0.02 0.34 0.76 0.72 0.00 0.00 0.00 175.10 176.94 2ai6 s PHE 20 N -0.70 -0.15 0.11 5.22 -0.71 -0.70 -4.81 117.98 116.24 2ai6 s PHE 20 Ca 0.46 -0.31 0.04 0.00 -1.04 0.00 0.00 56.93 56.09 2ai6 s PHE 20 Cb -0.29 0.71 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 2ai6 s PHE 20 CO 0.36 -1.22 0.06 0.15 -1.34 0.00 0.00 175.22 173.23 2ai6 s LYS 21 N -3.68 2.73 0.23 1.99 1.02 -1.26 -0.92 119.74 119.84 2ai6 s LYS 21 Ca 0.12 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.30 2ai6 s LYS 21 Cb -0.05 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 2ai6 s LYS 21 CO 0.07 0.53 0.09 1.52 -0.92 0.00 0.00 175.35 176.64 2ai6 s TYR 22 N -1.47 1.40 0.03 3.18 1.13 -0.39 -3.16 117.35 118.07 2ai6 s TYR 22 Ca 0.28 -1.20 -0.04 0.00 -1.41 0.00 0.00 57.07 54.70 2ai6 s TYR 22 Cb -0.11 -0.79 -0.01 0.00 -1.10 0.00 0.00 41.96 39.94 2ai6 s TYR 22 CO 0.21 -0.39 0.06 0.54 -2.51 0.00 0.00 175.55 173.46 2ai6 s VAL 23 N -3.83 0.12 -0.23 -3.49 0.11 -0.31 -2.52 120.40 110.26 2ai6 s VAL 23 Ca 0.36 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2ai6 s VAL 23 Cb 0.07 -0.67 0.02 0.00 -1.53 0.00 0.00 36.38 34.27 2ai6 s VAL 23 CO 0.12 -0.56 -0.10 -0.22 -3.33 0.00 0.00 175.10 171.01 2ai6 s LEU 24 N -1.85 2.88 -0.07 2.54 2.96 -0.62 -2.63 118.68 121.90 2ai6 s LEU 24 Ca -0.09 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.09 2ai6 s LEU 24 Cb -0.04 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.03 2ai6 s LEU 24 CO -0.03 -0.08 -0.21 0.27 -1.32 0.00 0.00 176.35 174.99 2ai6 s ILE 25 N 1.33 1.76 0.41 6.68 -4.36 -0.79 -0.50 121.20 125.73 2ai6 s ILE 25 Ca 0.02 -0.87 -0.23 0.00 -0.26 0.00 0.00 60.65 59.31 2ai6 s ILE 25 Cb -0.16 -1.52 -0.10 0.00 1.25 0.00 0.00 42.46 41.94 2ai6 s ILE 25 CO -0.07 0.49 0.99 -0.60 0.24 0.00 0.00 174.94 176.00 2ai6 s ARG 26 N 0.19 4.20 -0.00 0.37 3.52 0.44 -0.96 118.95 126.71 2ai6 s ARG 26 Ca -0.11 1.30 0.02 0.00 -0.13 0.00 0.00 55.73 56.81 2ai6 s ARG 26 Cb -0.15 -2.37 -0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2ai6 s ARG 26 CO 0.05 -0.08 -0.05 0.08 -0.81 0.00 0.00 175.30 174.49 2ai6 s VAL 27 N -1.91 0.38 0.05 7.11 1.01 0.69 -1.57 120.40 126.17 2ai6 s VAL 27 Ca 0.60 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.39 2ai6 s VAL 27 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2ai6 s VAL 27 CO 0.20 0.09 -0.09 -1.00 0.00 0.00 0.00 175.10 174.30 2ai6 s HIS 28 N -0.17 2.80 -0.52 5.22 0.09 -0.47 -1.45 115.29 120.80 2ai6 s HIS 28 Ca 0.01 -0.11 -0.27 0.00 -0.00 0.00 0.00 55.06 54.70 2ai6 s HIS 28 Cb -0.02 -1.52 -0.04 0.00 -0.00 0.00 0.00 32.58 31.00 2ai6 s HIS 28 CO -0.00 0.39 2.04 -1.12 -0.00 0.00 0.00 174.74 176.04 2ai6 s SER 29 N -1.77 5.10 0.00 1.40 0.01 0.11 -4.04 113.70 114.51 2ai6 s SER 29 Ca 0.19 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2ai6 s SER 29 Cb -0.11 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2ai6 s SER 29 CO 0.10 -2.43 0.55 0.00 0.41 0.00 0.00 173.24 171.87 2ai6 n ALA 30 N 13.36 1.63 -1.52 1.44 0.00 -1.26 -4.50 120.51 129.64 2ai6 n ALA 30 Ca 0.26 -0.38 -0.54 0.00 0.00 0.00 0.00 53.44 52.78 2ai6 n ALA 30 Cb 0.52 -0.15 -0.06 0.00 0.00 0.00 0.00 19.45 19.76 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 0.00 0.46 -2.88 0.00 -0.02 -1.26 -1.33 135.00 129.97 2ai6 n PRO 31 Ca 0.00 0.17 -0.12 0.00 -2.02 0.00 0.00 63.50 61.53 2ai6 n PRO 31 Cb 0.56 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.71 -2.18 -2.61 -0.52 5.12 0.42 -1.40 116.66 117.20 2ai6 n ARG 32 Ca 0.18 0.04 -0.15 0.00 -1.93 0.00 0.00 57.85 55.99 2ai6 n ARG 32 Cb 0.15 -4.10 -0.00 0.00 -1.16 0.00 0.00 32.46 27.35 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 -1.58 -4.16 -0.17 0.55 7.64 -0.44 -4.81 113.62 110.65 2ai6 n SER 33 Ca 0.03 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2ai6 n SER 33 Cb 0.44 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.14 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 -0.92 -1.50 3.74 0.23 0.00 -0.50 -5.11 105.19 101.13 2ai6 n GLY 34 Ca -0.13 -0.02 -0.37 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 s ALA 35 N -0.09 2.53 -1.15 4.61 0.00 -1.16 -4.94 121.76 121.57 2ai6 s ALA 35 Ca 0.01 1.19 0.28 0.00 0.00 0.00 0.00 51.96 53.44 2ai6 s ALA 35 Cb 0.01 -3.53 1.28 0.00 0.00 0.00 0.00 23.12 20.87 2ai6 s ALA 35 CO 0.00 -1.43 1.93 -0.35 0.00 0.00 0.00 175.76 175.91 2ai6 n PRO 36 N -1.60 0.14 -3.15 0.00 -0.04 -1.26 -4.92 135.00 124.17 2ai6 n PRO 36 Ca 0.14 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2ai6 n PRO 36 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2ai6 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ai6 n ALA 37 N -1.43 -0.57 -2.44 0.55 0.00 -1.26 -5.08 120.51 110.29 2ai6 n ALA 37 Ca 0.09 -1.05 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 2ai6 n ALA 37 Cb 0.29 0.85 0.05 0.00 0.00 0.00 0.00 19.45 20.64 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 -1.36 3.30 -1.15 0.00 0.00 -1.26 -4.67 120.51 115.37 2ai6 n ALA 38 Ca -0.10 -3.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.03 2ai6 n ALA 38 Cb 0.41 -0.65 0.17 0.00 0.00 0.00 0.00 19.45 19.38 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 -3.04 0.62 0.05 0.00 0.41 -1.26 -4.69 118.70 110.79 2ai6 s GLU 39 Ca 0.36 0.62 -0.01 0.00 -0.41 0.00 0.00 54.97 55.53 2ai6 s GLU 39 Cb 0.36 -1.75 -0.04 0.00 -1.78 0.00 0.00 34.13 30.92 2ai6 s GLU 39 CO -0.04 -2.63 -0.04 -1.12 -0.49 0.00 0.00 175.26 170.94 2ai6 s SER 40 N -3.41 0.55 0.21 -0.19 0.01 -1.26 -0.71 113.70 108.90 2ai6 s SER 40 Ca 0.65 -0.95 -0.17 0.00 1.31 0.00 0.00 55.95 56.79 2ai6 s SER 40 Cb -0.19 0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.24 2ai6 s SER 40 CO 0.58 -0.55 0.53 -1.59 0.41 0.00 0.00 173.24 172.62 2ai6 s LYS 41 N -3.64 1.43 0.17 12.44 0.00 -0.53 -4.99 119.74 124.63 2ai6 s LYS 41 Ca 0.05 -0.92 0.06 0.00 0.00 0.00 0.00 55.97 55.17 2ai6 s LYS 41 Cb 0.06 0.52 -0.04 0.00 0.00 0.00 0.00 37.83 38.37 2ai6 s LYS 41 CO -0.08 -0.61 0.07 -1.21 0.00 0.00 0.00 175.35 173.52 2ai6 s GLU 42 N -3.89 2.67 0.10 1.78 8.01 -1.26 -0.22 118.70 125.88 2ai6 s GLU 42 Ca 0.11 -1.00 0.02 0.00 0.01 0.00 0.00 54.97 54.12 2ai6 s GLU 42 Cb -0.01 -2.50 -0.04 0.00 -4.31 0.00 0.00 34.13 27.27 2ai6 s GLU 42 CO -0.01 0.47 -0.08 0.96 0.01 0.00 0.00 175.26 176.61 2ai6 s ILE 43 N -1.77 0.77 -0.18 -1.63 -4.36 -0.13 -4.96 121.20 108.94 2ai6 s ILE 43 Ca 0.29 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2ai6 s ILE 43 Cb -0.10 -1.49 0.03 0.00 1.25 0.00 0.00 42.46 42.15 2ai6 s ILE 43 CO 0.21 -0.74 -0.13 -0.69 0.24 0.00 0.00 174.94 173.83 2ai6 s VAL 44 N -3.07 1.68 0.03 8.37 1.01 -0.84 -1.89 120.40 125.69 2ai6 s VAL 44 Ca 0.08 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2ai6 s VAL 44 Cb 0.01 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2ai6 s VAL 44 CO -0.03 0.34 -0.06 -0.13 0.00 0.00 0.00 175.10 175.22 2ai6 s ARG 45 N 1.41 0.44 0.00 2.72 1.81 -1.08 -2.33 118.95 121.93 2ai6 s ARG 45 Ca 0.02 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.31 2ai6 s ARG 45 Cb -0.14 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.25 2ai6 s ARG 45 CO -0.10 0.00 0.00 0.41 -0.68 0.00 0.00 175.30 174.93 2ai6 n GLY 46 N 1.46 1.92 3.33 -3.53 0.00 -1.24 -1.16 105.19 105.98 2ai6 n GLY 46 Ca -0.23 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2ai6 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ai6 s TYR 47 N -0.83 -0.26 0.42 1.61 1.51 -1.19 -2.12 117.35 116.49 2ai6 s TYR 47 Ca 0.00 0.17 0.08 0.00 -1.01 0.00 0.00 57.07 56.31 2ai6 s TYR 47 Cb 0.00 0.24 0.89 0.00 -0.11 0.00 0.00 41.96 42.98 2ai6 s TYR 47 CO 0.00 -0.61 2.05 -0.22 -1.11 0.00 0.00 175.55 175.67 2ai6 h LYS 48 N 2.85 0.51 0.00 -0.62 3.64 -1.88 -1.73 116.57 119.33 2ai6 h LYS 48 Ca -0.32 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 2ai6 h LYS 48 Cb 1.22 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2ai6 h LYS 48 CO 0.44 0.33 -0.17 0.11 -2.27 0.00 0.00 179.45 177.90 2ai6 h TRP 49 N 0.52 0.00 -1.51 1.91 5.08 -1.97 -3.31 115.95 116.67 2ai6 h TRP 49 Ca 0.16 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.44 2ai6 h TRP 49 Cb 0.00 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.04 2ai6 h TRP 49 CO -0.00 0.17 1.69 0.00 -1.28 0.00 0.00 178.44 179.02 2ai6 s ALA 50 N -4.18 3.51 -0.61 0.11 0.00 -0.65 -4.79 121.76 115.15 2ai6 s ALA 50 Ca -0.03 -3.00 0.15 0.00 0.00 0.00 0.00 51.96 49.09 2ai6 s ALA 50 Cb 0.13 -4.39 0.73 0.00 0.00 0.00 0.00 23.12 19.59 2ai6 s ALA 50 CO 0.62 -3.11 1.47 0.39 0.00 0.00 0.00 175.76 175.12 2ai6 n GLU 51 N 7.27 0.09 -3.87 0.00 1.02 -1.25 -4.23 120.64 119.68 2ai6 n GLU 51 Ca 0.40 0.49 -0.11 0.00 -0.02 0.00 0.00 57.16 57.92 2ai6 n GLU 51 Cb 0.46 -1.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 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 -3.26 -0.01 0.43 -0.32 1.13 -1.26 -4.94 117.35 109.12 2ai6 s TYR 52 Ca 0.01 0.03 0.12 0.00 -1.41 0.00 0.00 57.07 55.82 2ai6 s TYR 52 Cb 0.06 -0.02 0.94 0.00 -1.10 0.00 0.00 41.96 41.84 2ai6 s TYR 52 CO 0.20 -0.17 1.99 0.45 -2.51 0.00 0.00 175.55 175.52 2ai6 h HIS 53 N 5.13 0.16 0.00 -3.49 3.86 -1.88 -1.28 115.15 117.64 2ai6 h HIS 53 Ca -0.28 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2ai6 h HIS 53 Cb 1.20 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2ai6 h HIS 53 CO 0.51 0.24 -0.04 0.00 0.86 0.00 0.00 177.93 179.51 2ai6 h ALA 54 N 1.77 1.87 -0.31 2.45 0.00 -1.96 -1.24 119.26 121.84 2ai6 h ALA 54 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2ai6 h ALA 54 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2ai6 h ALA 54 CO 0.01 0.05 0.05 0.22 0.00 0.00 0.00 179.25 179.58 2ai6 h ASP 55 N 0.00 0.49 0.02 0.00 3.58 -1.61 -1.26 116.42 117.64 2ai6 h ASP 55 Ca -0.00 -0.26 -0.19 0.00 0.42 0.00 0.00 57.03 56.99 2ai6 h ASP 55 Cb 0.07 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2ai6 h ASP 55 CO 0.01 0.63 -0.69 0.16 -2.88 0.00 0.00 179.24 176.46 2ai6 h ILE 56 N 0.34 1.32 -0.47 2.25 3.07 -1.58 -0.16 117.51 122.28 2ai6 h ILE 56 Ca 0.09 -1.97 0.03 0.00 1.55 0.00 0.00 64.86 64.56 2ai6 h ILE 56 Cb 0.35 1.95 -0.04 0.00 -0.27 0.00 0.00 36.82 38.81 2ai6 h ILE 56 CO 0.01 0.61 0.25 0.22 -1.05 0.00 0.00 178.15 178.19 2ai6 h TYR 57 N 0.44 0.46 -0.10 0.16 3.20 -1.11 0.65 116.97 120.66 2ai6 h TYR 57 Ca -0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2ai6 h TYR 57 Cb 1.29 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 2ai6 h TYR 57 CO 0.06 0.25 0.00 0.22 -1.64 0.00 0.00 178.16 177.05 2ai6 h ASP 58 N 0.50 0.18 0.18 -2.11 3.58 -1.13 -0.56 116.42 117.05 2ai6 h ASP 58 Ca 0.20 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.36 2ai6 h ASP 58 Cb 0.07 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 58 CO -0.12 0.44 -0.28 0.50 -2.88 0.00 0.00 179.24 176.89 2ai6 h LYS 59 N -0.09 -0.51 -0.28 0.28 1.63 -0.84 -0.54 116.57 116.22 2ai6 h LYS 59 Ca 0.03 0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.76 2ai6 h LYS 59 Cb 0.34 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2ai6 h LYS 59 CO 0.00 -0.34 -0.23 0.28 -3.45 0.00 0.00 179.45 175.71 2ai6 h VAL 60 N -0.53 1.30 0.00 2.00 2.07 -0.89 -1.87 116.25 118.33 2ai6 h VAL 60 Ca 0.02 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 2ai6 h VAL 60 Cb 0.53 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2ai6 h VAL 60 CO -0.13 0.44 -0.09 0.28 0.02 0.00 0.00 177.57 178.09 2ai6 h SER 61 N 0.38 0.00 0.09 0.57 0.02 -1.01 0.11 113.55 113.71 2ai6 h SER 61 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2ai6 h SER 61 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2ai6 h SER 61 CO 0.06 0.09 -0.04 1.23 -1.14 0.00 0.00 176.83 177.03 2ai6 h GLY 62 N 0.32 -0.12 0.94 -3.77 0.00 -0.47 -0.39 103.07 99.58 2ai6 h GLY 62 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2ai6 h GLY 62 CO 0.01 -0.04 0.15 -1.80 0.00 0.00 0.00 176.54 174.86 2ai6 h ASP 63 N -0.34 0.57 -0.53 0.19 1.82 -0.67 -0.59 116.42 116.87 2ai6 h ASP 63 Ca -0.01 -0.18 0.05 0.00 -0.39 0.00 0.00 57.03 56.50 2ai6 h ASP 63 Cb 0.29 -0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.10 2ai6 h ASP 63 CO 0.02 0.60 0.25 0.24 -1.61 0.00 0.00 179.24 178.74 2ai6 h MET 64 N 0.50 0.47 -0.02 0.28 2.86 -0.83 -0.89 114.93 117.31 2ai6 h MET 64 Ca 0.13 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2ai6 h MET 64 Cb 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2ai6 h MET 64 CO -0.01 0.31 -0.51 1.96 1.06 0.00 0.00 176.91 179.72 2ai6 h GLN 65 N 0.49 0.04 -0.56 1.72 4.20 -0.73 0.24 115.11 120.51 2ai6 h GLN 65 Ca 0.24 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2ai6 h GLN 65 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2ai6 h GLN 65 CO -0.18 0.55 0.28 -0.22 -0.67 0.00 0.00 178.83 178.59 2ai6 h LYS 66 N 0.03 0.80 -0.51 1.46 3.64 -0.60 -2.08 116.57 119.31 2ai6 h LYS 66 Ca -0.00 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2ai6 h LYS 66 Cb 0.92 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2ai6 h LYS 66 CO 0.07 0.65 0.13 1.96 -2.27 0.00 0.00 179.45 179.98 2ai6 h GLN 67 N 0.76 0.76 0.00 1.90 4.20 -0.63 -3.46 115.11 118.65 2ai6 h GLN 67 Ca 0.19 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2ai6 h GLN 67 Cb 0.10 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2ai6 h GLN 67 CO -0.03 0.69 0.00 0.41 -0.67 0.00 0.00 178.83 179.23 2ai6 n GLY 68 N -0.92 0.42 3.67 3.46 0.00 0.59 -0.43 105.19 111.98 2ai6 n GLY 68 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.65 2.07 0.16 0.00 2.15 -1.26 -3.71 116.67 112.43 2ai6 s ASP 70 Ca 0.67 -0.62 -0.10 0.00 0.43 0.00 0.00 52.55 52.93 2ai6 s ASP 70 Cb -0.16 -0.10 -0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2ai6 s ASP 70 CO 0.57 0.01 0.30 0.00 -0.17 0.00 0.00 175.17 175.88 2ai6 s GLU 72 N -3.95 0.19 -0.28 0.00 0.41 -0.61 -4.98 118.70 109.47 2ai6 s GLU 72 Ca 0.16 0.66 -0.29 0.00 -0.41 0.00 0.00 54.97 55.09 2ai6 s GLU 72 Cb 0.03 -0.07 -0.02 0.00 -1.78 0.00 0.00 34.13 32.29 2ai6 s GLU 72 CO -0.01 -0.22 1.78 0.00 -0.49 0.00 0.00 175.26 176.32 2ai6 h LEU 74 N 13.10 0.00 0.00 0.00 3.38 -1.15 -3.48 115.31 127.16 2ai6 h LEU 74 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2ai6 h LEU 74 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 74 CO 1.01 0.29 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2ai6 n GLY 75 N 0.29 -1.31 1.52 0.83 0.00 -1.22 -4.71 105.19 100.59 2ai6 n GLY 75 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 1.64 0.00 -0.02 0.00 -0.77 -1.59 105.19 104.45 2ai6 n GLY 76 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.22 0.97 3.47 -0.02 0.00 -1.05 -1.51 105.19 106.83 2ai6 n GLY 77 Ca -0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.93 1.71 -0.05 1.61 3.52 0.02 -1.27 118.95 123.57 2ai6 s ARG 78 Ca 0.00 -1.24 0.06 0.00 -0.13 0.00 0.00 55.73 54.42 2ai6 s ARG 78 Cb 0.00 -2.06 -0.01 0.00 -1.56 0.00 0.00 34.95 31.31 2ai6 s ARG 78 CO 0.00 0.47 -0.23 0.42 -0.81 0.00 0.00 175.30 175.14 2ai6 s ILE 79 N -1.19 2.23 0.20 4.11 1.01 -0.10 -1.67 121.20 125.79 2ai6 s ILE 79 Ca 0.18 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 2ai6 s ILE 79 Cb -0.10 -1.81 0.03 0.00 0.01 0.00 0.00 42.46 40.58 2ai6 s ILE 79 CO 0.10 0.57 0.54 -0.44 0.00 0.00 0.00 174.94 175.71 2ai6 s SER 80 N -0.31 -0.27 -0.11 3.58 0.01 -0.79 -1.72 113.70 114.10 2ai6 s SER 80 Ca 0.01 -0.49 0.18 0.00 1.31 0.00 0.00 55.95 56.96 2ai6 s SER 80 Cb -0.13 0.59 0.41 0.00 0.21 0.00 0.00 66.02 67.11 2ai6 s SER 80 CO 0.02 -1.08 1.19 1.57 0.41 0.00 0.00 173.24 175.36 2ai6 n HIS 81 N -0.36 0.00 0.29 2.43 -0.00 -1.26 -0.72 115.22 115.60 2ai6 n HIS 81 Ca -0.09 -1.01 0.16 0.00 0.46 0.00 0.00 57.72 57.23 2ai6 n HIS 81 Cb 0.62 -0.20 0.77 0.00 -0.12 0.00 0.00 29.99 31.06 2ai6 n HIS 81 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2ai6 h GLN 82 N 0.96 0.00 -0.03 1.57 4.20 -1.96 -0.52 115.11 119.32 2ai6 h GLN 82 Ca -0.10 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.62 2ai6 h GLN 82 Cb 1.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 2ai6 h GLN 82 CO 0.04 0.00 0.04 0.77 -0.67 0.00 0.00 178.83 179.01 2ai6 h SER 83 N 0.00 0.00 -6.38 1.46 0.02 -1.93 -3.47 113.55 103.24 2ai6 h SER 83 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 2ai6 h SER 83 Cb 0.20 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.78 2ai6 h SER 83 CO 0.00 0.00 -0.89 0.00 -1.14 0.00 0.00 176.83 174.80 2ai6 n GLN 84 N -3.78 -1.09 0.00 3.45 1.13 -0.21 -5.01 117.38 111.87 2ai6 n GLN 84 Ca -0.02 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2ai6 n GLN 84 Cb 0.12 -3.60 0.00 0.00 0.11 0.00 0.00 30.24 26.87 2ai6 n GLN 84 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2ai6 n ASP 85 N -2.46 0.00 -0.05 1.08 2.03 -1.26 -5.07 116.55 110.81 2ai6 n ASP 85 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2ai6 n ASP 85 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2ai6 n ASP 85 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ai6 n LYS 86 N 0.00 0.46 -3.64 -0.67 4.76 -1.26 -5.11 118.16 112.69 2ai6 n LYS 86 Ca 0.00 -0.74 -0.15 0.00 -2.87 0.00 0.00 58.31 54.56 2ai6 n LYS 86 Cb 0.00 -0.59 -0.08 0.00 -1.84 0.00 0.00 35.03 32.52 2ai6 n LYS 86 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2ai6 s LYS 87 N -0.20 0.79 0.89 1.97 -2.85 -1.26 -4.93 119.74 114.14 2ai6 s LYS 87 Ca 0.01 0.46 -0.10 0.00 -1.00 0.00 0.00 55.97 55.33 2ai6 s LYS 87 Cb 0.01 0.37 0.13 0.00 -2.06 0.00 0.00 37.83 36.28 2ai6 s LYS 87 CO 0.00 -0.17 1.12 0.96 0.10 0.00 0.00 175.35 177.35 2ai6 s ILE 88 N -0.44 2.50 0.03 3.79 -4.36 -1.26 -4.77 121.20 116.69 2ai6 s ILE 88 Ca -0.06 0.16 -0.01 0.00 -0.26 0.00 0.00 60.65 60.48 2ai6 s ILE 88 Cb -0.03 -2.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 2ai6 s ILE 88 CO 0.04 -0.21 -0.00 -2.28 0.24 0.00 0.00 174.94 172.73 2ai6 s HIS 89 N -2.74 0.31 -0.12 1.37 2.46 0.10 -3.81 115.29 112.86 2ai6 s HIS 89 Ca 0.65 -0.65 0.03 0.00 0.47 0.00 0.00 55.06 55.55 2ai6 s HIS 89 Cb -0.21 -0.23 0.01 0.00 -0.13 0.00 0.00 32.58 32.02 2ai6 s HIS 89 CO 0.58 -0.27 -0.20 0.08 -2.47 0.00 0.00 174.74 172.45 2ai6 s VAL 90 N -2.29 1.88 0.00 0.89 1.01 -0.48 -1.88 120.40 119.52 2ai6 s VAL 90 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ai6 s VAL 90 Cb -0.04 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2ai6 s VAL 90 CO -0.04 0.52 0.00 0.00 0.00 0.00 0.00 175.10 175.58 2ai6 n TYR 91 N 3.95 -0.58 -4.49 5.22 0.18 -0.67 -3.00 117.16 117.77 2ai6 n TYR 91 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2ai6 n TYR 91 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2ai6 n TYR 91 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2ai6 n GLY 92 N 0.00 -0.42 3.34 -7.48 0.00 -0.57 -0.80 105.19 99.27 2ai6 n GLY 92 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.30 0.08 1.61 1.13 -1.26 -4.74 117.35 113.87 2ai6 s TYR 93 Ca 0.00 0.26 -0.28 0.00 -1.41 0.00 0.00 57.07 55.64 2ai6 s TYR 93 Cb 0.00 0.25 -0.06 0.00 -1.10 0.00 0.00 41.96 41.06 2ai6 s TYR 93 CO 0.00 -0.60 0.88 -1.54 -2.51 0.00 0.00 175.55 171.78 2ai6 s SER 94 N -2.06 7.38 0.44 -0.18 1.04 -0.57 -4.52 113.70 115.23 2ai6 s SER 94 Ca -0.05 1.65 0.16 0.00 0.48 0.00 0.00 55.95 58.19 2ai6 s SER 94 Cb -0.01 -2.54 0.98 0.00 0.10 0.00 0.00 66.02 64.56 2ai6 s SER 94 CO -0.03 -0.04 1.95 0.00 0.98 0.00 0.00 173.24 176.10 2ai6 h MET 95 N 5.65 0.00 0.09 4.02 -0.00 -1.93 -0.27 114.93 122.49 2ai6 h MET 95 Ca -0.43 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 58.99 2ai6 h MET 95 Cb 1.21 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.83 2ai6 h MET 95 CO 0.72 0.23 -1.16 0.00 -0.00 0.00 0.00 176.91 176.69 2ai6 h ALA 96 N 1.77 0.11 0.00 -3.00 0.00 -2.00 -3.40 119.26 112.74 2ai6 h ALA 96 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2ai6 h ALA 96 Cb 0.42 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ai6 h ALA 96 CO 0.03 0.77 0.00 0.66 0.00 0.00 0.00 179.25 180.71 2ai6 n TYR 97 N -3.73 0.00 -0.69 0.00 4.01 -1.23 -5.13 117.16 110.39 2ai6 n TYR 97 Ca -0.11 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2ai6 n TYR 97 Cb 0.95 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 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 -0.02 -2.53 3.74 2.72 0.00 -0.12 -4.48 105.19 104.50 2ai6 n GLY 98 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.79 4.39 0.91 1.61 0.04 -1.26 -1.86 135.00 138.05 2ai6 s PRO 99 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2ai6 s PRO 99 Cb 0.00 -3.19 0.14 0.00 0.04 0.00 0.00 34.50 31.48 2ai6 s PRO 99 CO 0.00 -0.25 1.14 0.00 0.04 0.00 0.00 177.00 177.93 2ai6 s ALA 100 N 0.10 1.78 -1.27 8.56 0.00 -1.01 -4.60 121.76 125.33 2ai6 s ALA 100 Ca 0.56 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 2ai6 s ALA 100 Cb -0.36 -3.03 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2ai6 s ALA 100 CO 0.38 -2.29 1.83 1.04 0.00 0.00 0.00 175.76 176.72 2ai6 n GLN 101 N -3.77 2.71 0.27 0.00 6.02 -1.26 -4.80 117.38 116.55 2ai6 n GLN 101 Ca 0.07 -2.98 0.17 0.00 -0.01 0.00 0.00 57.00 54.25 2ai6 n GLN 101 Cb 0.59 -3.53 0.93 0.00 1.02 0.00 0.00 30.24 29.25 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 8.03 0.00 -0.95 1.08 3.86 -1.97 0.67 115.15 125.87 2ai6 h HIS 102 Ca 0.40 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.68 2ai6 h HIS 102 Cb 0.87 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.27 2ai6 h HIS 102 CO 1.37 0.00 0.62 0.00 0.86 0.00 0.00 177.93 180.77 2ai6 h ALA 103 N 1.89 1.49 -0.15 2.45 0.00 -1.98 -1.52 119.26 121.44 2ai6 h ALA 103 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ai6 h ALA 103 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2ai6 h ALA 103 CO 0.00 0.36 0.08 0.82 0.00 0.00 0.00 179.25 180.51 2ai6 h ILE 104 N 1.07 1.10 -0.13 0.00 1.08 -1.27 -1.83 117.51 117.54 2ai6 h ILE 104 Ca 0.42 -0.29 0.04 0.00 -0.39 0.00 0.00 64.86 64.64 2ai6 h ILE 104 Cb 0.24 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 2ai6 h ILE 104 CO -0.17 0.10 -0.16 0.28 -0.69 0.00 0.00 178.15 177.51 2ai6 h SER 105 N 0.14 -0.50 -0.74 1.72 0.02 -1.42 0.86 113.55 113.63 2ai6 h SER 105 Ca 0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2ai6 h SER 105 Cb 0.08 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 2ai6 h SER 105 CO -0.01 -0.21 0.47 0.71 -1.14 0.00 0.00 176.83 176.65 2ai6 h THR 106 N -0.20 1.20 0.13 -2.27 1.35 -1.24 0.11 112.91 111.98 2ai6 h THR 106 Ca 0.09 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 2ai6 h THR 106 Cb 0.34 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 2ai6 h THR 106 CO -0.25 0.20 -0.06 -0.33 -0.25 0.00 0.00 175.52 174.83 2ai6 h GLU 107 N 1.00 -0.16 -0.19 4.72 5.08 -0.60 -1.48 114.58 122.95 2ai6 h GLU 107 Ca 0.27 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2ai6 h GLU 107 Cb -0.07 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2ai6 h GLU 107 CO -0.05 -0.07 -0.33 0.87 -1.00 0.00 0.00 179.01 178.43 2ai6 h LYS 108 N -0.22 0.55 -0.52 2.33 1.79 -0.65 -1.94 116.57 117.91 2ai6 h LYS 108 Ca -0.02 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.07 2ai6 h LYS 108 Cb 0.17 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2ai6 h LYS 108 CO 0.03 0.95 0.18 0.82 -1.08 0.00 0.00 179.45 180.35 2ai6 h ILE 109 N 0.22 1.23 -0.57 1.86 2.04 -0.82 -0.86 117.51 120.60 2ai6 h ILE 109 Ca 0.01 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 2ai6 h ILE 109 Cb 0.91 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2ai6 h ILE 109 CO 0.07 0.28 0.20 0.11 0.00 0.00 0.00 178.15 178.81 2ai6 h LYS 110 N 0.71 0.85 -0.42 2.37 1.57 -1.21 0.22 116.57 120.66 2ai6 h LYS 110 Ca 0.17 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2ai6 h LYS 110 Cb 0.25 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ai6 h LYS 110 CO -0.01 0.72 0.15 0.00 -0.57 0.00 0.00 179.45 179.74 2ai6 h ALA 111 N 1.38 0.55 0.00 3.86 0.00 -0.75 -2.96 119.26 121.34 2ai6 h ALA 111 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ai6 h ALA 111 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ai6 h ALA 111 CO -0.01 0.18 -0.01 -0.22 0.00 0.00 0.00 179.25 179.19 2ai6 h LYS 112 N 0.54 0.00 -6.90 0.00 1.63 -0.93 -3.49 116.57 107.42 2ai6 h LYS 112 Ca 0.14 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.35 2ai6 h LYS 112 Cb 0.23 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.76 2ai6 h LYS 112 CO -0.01 0.01 -0.97 2.48 -3.45 0.00 0.00 179.45 177.51 2ai6 n TYR 113 N -3.10 -1.40 0.22 1.91 4.11 0.74 -4.90 117.16 114.74 2ai6 n TYR 113 Ca 0.04 0.42 0.13 0.00 -0.00 0.00 0.00 57.90 58.48 2ai6 n TYR 113 Cb 0.52 -2.96 0.72 0.00 -0.00 0.00 0.00 39.34 37.62 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 -2.12 0.00 -5.17 -3.48 0.11 -1.91 -3.41 132.00 116.02 2ai6 h PRO 114 Ca -0.68 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.07 2ai6 h PRO 114 Cb 1.40 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.34 2ai6 h PRO 114 CO 0.61 0.00 -0.74 0.34 -0.21 0.00 0.00 178.00 178.01 2ai6 s ASP 115 N -6.59 1.79 0.42 -2.05 -1.08 -1.26 -4.92 116.67 102.98 2ai6 s ASP 115 Ca -0.05 -0.88 0.10 0.00 -0.52 0.00 0.00 52.55 51.19 2ai6 s ASP 115 Cb 0.17 -0.03 0.90 0.00 -1.46 0.00 0.00 42.92 42.50 2ai6 s ASP 115 CO 0.64 -0.24 2.02 1.88 0.52 0.00 0.00 175.17 179.99 2ai6 h TYR 116 N 3.26 0.32 -3.16 -5.34 0.05 -1.92 -3.44 116.97 106.74 2ai6 h TYR 116 Ca -0.38 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 2ai6 h TYR 116 Cb 1.19 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 38.73 2ai6 h TYR 116 CO 0.65 0.29 0.12 -2.00 -1.05 0.00 0.00 178.16 176.16 2ai6 s GLU 117 N -5.12 1.41 0.13 4.88 2.12 -1.26 -4.98 118.70 115.88 2ai6 s GLU 117 Ca -0.07 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.44 2ai6 s GLU 117 Cb 0.17 0.56 -0.01 0.00 0.26 0.00 0.00 34.13 35.10 2ai6 s GLU 117 CO 0.72 -0.61 0.21 0.14 -0.54 0.00 0.00 175.26 175.18 2ai6 s VAL 118 N -3.84 0.10 0.25 3.70 -7.23 -1.26 -4.49 120.40 107.63 2ai6 s VAL 118 Ca 0.07 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2ai6 s VAL 118 Cb -0.02 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2ai6 s VAL 118 CO -0.05 -0.45 0.14 0.42 -0.31 0.00 0.00 175.10 174.86 2ai6 s THR 119 N -3.95 0.24 0.06 5.32 -4.23 -1.25 -4.97 115.64 106.85 2ai6 s THR 119 Ca 0.14 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2ai6 s THR 119 Cb 0.05 -2.54 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2ai6 s THR 119 CO -0.03 0.00 0.02 -1.66 -0.54 0.00 0.00 174.62 172.41 2ai6 s TRP 120 N -3.85 0.41 -0.16 3.99 1.48 -1.26 -1.39 118.94 118.16 2ai6 s TRP 120 Ca 0.38 -0.91 -0.07 0.00 -1.06 0.00 0.00 56.10 54.44 2ai6 s TRP 120 Cb 0.06 -0.30 0.06 0.00 -1.16 0.00 0.00 33.47 32.14 2ai6 s TRP 120 CO 0.15 -0.41 0.35 0.00 -4.06 0.00 0.00 176.95 172.98 2ai6 s ALA 121 N -3.72 -0.88 0.45 2.67 0.00 -1.16 -4.97 121.76 114.15 2ai6 s ALA 121 Ca 0.05 1.30 0.26 0.00 0.00 0.00 0.00 51.96 53.57 2ai6 s ALA 121 Cb 0.06 -0.98 1.46 0.00 0.00 0.00 0.00 23.12 23.67 2ai6 s ALA 121 CO -0.09 -0.44 2.10 -0.97 0.00 0.00 0.00 175.76 176.36 2ai6 h ASN 122 N 7.60 0.00 0.05 0.00 -0.73 -1.95 -2.89 115.58 117.65 2ai6 h ASN 122 Ca -0.28 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.84 2ai6 h ASN 122 Cb 1.15 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.73 2ai6 h ASN 122 CO 0.24 0.10 -0.14 -0.78 -0.37 0.00 0.00 177.43 176.48 2ai6 h ASP 123 N 0.00 0.20 -4.13 1.15 3.58 -1.97 -3.43 116.42 111.82 2ai6 h ASP 123 Ca -0.00 -0.04 -0.49 0.00 0.42 0.00 0.00 57.03 56.92 2ai6 h ASP 123 Cb 0.26 -0.05 0.06 0.00 1.72 0.00 0.00 39.33 41.32 2ai6 h ASP 123 CO 0.01 0.37 0.39 -0.83 -2.88 0.00 0.00 179.24 176.30 2ai6 s GLY 124 N -4.07 2.39 0.00 -0.78 0.00 -1.09 -4.97 107.32 98.79 2ai6 s GLY 124 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.25 2ai6 s GLY 124 CO 0.73 0.92 0.00 1.58 0.00 0.00 0.00 173.10 176.33