#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 0.12 0.95 -5.12 0.00 -1.26 -5.17 121.76 111.28 2ai6 s ALA 2 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 2ai6 s ALA 2 Cb 0.00 1.03 0.16 0.00 0.00 0.00 0.00 23.12 24.31 2ai6 s ALA 2 CO 0.00 -0.71 1.09 0.14 0.00 0.00 0.00 175.76 176.29 2ai6 s VAL 3 N -4.02 2.43 1.27 0.00 -7.23 -1.26 -5.05 120.40 106.54 2ai6 s VAL 3 Ca 0.23 0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 60.36 2ai6 s VAL 3 Cb 0.03 -2.40 0.31 0.00 0.56 0.00 0.00 36.38 34.88 2ai6 s VAL 3 CO 0.05 -0.18 1.01 0.00 -0.31 0.00 0.00 175.10 175.67 2ai6 s ALA 4 N -2.75 -0.29 0.04 1.32 0.00 -1.26 -5.10 121.76 113.72 2ai6 s ALA 4 Ca 0.65 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 2ai6 s ALA 4 Cb -0.21 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.88 2ai6 s ALA 4 CO 0.59 -4.04 0.25 0.34 0.00 0.00 0.00 175.76 172.90 2ai6 s ASP 5 N -3.11 -0.05 0.47 0.00 2.15 -1.26 -4.68 116.67 110.19 2ai6 s ASP 5 Ca 0.69 -0.28 0.20 0.00 0.43 0.00 0.00 52.55 53.59 2ai6 s ASP 5 Cb -0.17 0.32 1.20 0.00 -0.30 0.00 0.00 42.92 43.98 2ai6 s ASP 5 CO 0.60 -0.59 1.96 -0.07 -0.17 0.00 0.00 175.17 176.90 2ai6 h LEU 6 N 3.34 0.22 -1.64 -1.34 3.38 -1.96 0.79 115.31 118.09 2ai6 h LEU 6 Ca -0.32 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2ai6 h LEU 6 Cb 1.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2ai6 h LEU 6 CO 0.47 0.11 -0.19 0.00 0.09 0.00 0.00 178.44 178.92 2ai6 h ALA 7 N 1.69 1.30 0.00 1.53 0.00 -2.01 -3.04 119.26 118.72 2ai6 h ALA 7 Ca 0.31 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 7 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2ai6 h ALA 7 CO -0.06 0.24 -1.32 1.28 0.00 0.00 0.00 179.25 179.39 2ai6 n LEU 8 N -3.75 0.86 -4.72 0.00 4.77 0.24 -4.88 117.00 109.52 2ai6 n LEU 8 Ca -0.02 0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.91 2ai6 n LEU 8 Cb 0.30 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2ai6 n LEU 8 CO 0.33 0.07 1.37 -0.63 -1.33 0.00 0.00 177.39 177.19 2ai6 s ILE 9 N -3.03 2.05 -0.06 -0.08 1.01 -1.01 -4.88 121.20 115.20 2ai6 s ILE 9 Ca -0.02 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 2ai6 s ILE 9 Cb 0.09 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 2ai6 s ILE 9 CO 0.81 0.00 2.01 -2.16 0.00 0.00 0.00 174.94 175.59 2ai6 s PRO 10 N 1.12 3.81 0.16 2.79 0.04 -1.26 -4.88 135.00 136.78 2ai6 s PRO 10 Ca 0.74 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 64.09 2ai6 s PRO 10 Cb -0.49 -4.21 -0.00 0.00 0.04 0.00 0.00 34.50 29.83 2ai6 s PRO 10 CO 0.32 -1.33 1.39 0.22 0.04 0.00 0.00 177.00 177.65 2ai6 h ASP 11 N 11.92 0.56 -3.63 6.66 3.58 -1.91 -3.45 116.42 130.15 2ai6 h ASP 11 Ca -0.45 -0.38 -0.28 0.00 0.42 0.00 0.00 57.03 56.34 2ai6 h ASP 11 Cb 1.23 -0.17 -0.31 0.00 1.72 0.00 0.00 39.33 41.80 2ai6 h ASP 11 CO 0.95 1.14 -0.73 -0.69 -2.88 0.00 0.00 179.24 177.03 2ai6 s VAL 12 N -3.57 0.02 -0.26 2.25 1.01 -1.26 -1.95 120.40 116.63 2ai6 s VAL 12 Ca -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2ai6 s VAL 12 Cb 0.10 -0.09 0.15 0.00 0.00 0.00 0.00 36.38 36.54 2ai6 s VAL 12 CO 0.85 0.06 0.44 -0.62 0.00 0.00 0.00 175.10 175.83 2ai6 s ASP 13 N 0.55 -0.17 -0.02 3.32 -1.08 -0.73 -4.99 116.67 113.54 2ai6 s ASP 13 Ca -0.05 0.33 0.01 0.00 -0.52 0.00 0.00 52.55 52.32 2ai6 s ASP 13 Cb -0.07 1.39 0.01 0.00 -1.46 0.00 0.00 42.92 42.79 2ai6 s ASP 13 CO -0.01 -0.30 -0.04 0.27 0.52 0.00 0.00 175.17 175.61 2ai6 s ILE 14 N 2.63 0.41 -0.03 4.11 -4.36 -1.26 -2.98 121.20 119.71 2ai6 s ILE 14 Ca 0.14 -0.13 0.31 0.00 -0.26 0.00 0.00 60.65 60.72 2ai6 s ILE 14 Cb -0.15 -0.41 0.37 0.00 1.25 0.00 0.00 42.46 43.52 2ai6 s ILE 14 CO -0.19 0.16 1.91 -0.78 0.24 0.00 0.00 174.94 176.29 2ai6 h ASP 15 N 6.64 0.00 -4.02 4.36 3.58 -1.57 -3.47 116.42 121.94 2ai6 h ASP 15 Ca -0.35 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 56.75 2ai6 h ASP 15 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2ai6 h ASP 15 CO 0.49 0.00 -0.49 -1.20 -2.88 0.00 0.00 179.24 175.16 2ai6 n SER 16 N -2.97 -5.03 -0.14 2.28 7.64 -1.26 -4.90 113.62 109.23 2ai6 n SER 16 Ca 0.01 -0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.72 2ai6 n SER 16 Cb 0.32 -4.16 -0.01 0.00 -1.01 0.00 0.00 64.21 59.35 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 -0.52 0.63 0.00 6.43 3.58 -1.95 -3.48 116.42 121.12 2ai6 h ASP 17 Ca -0.43 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2ai6 h ASP 17 Cb 1.31 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2ai6 h ASP 17 CO 0.50 0.68 0.00 0.61 -2.88 0.00 0.00 179.24 178.16 2ai6 n GLY 18 N -0.62 0.29 3.06 -0.78 0.00 -1.26 -5.07 105.19 100.81 2ai6 n GLY 18 Ca -0.00 0.18 -0.12 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 -0.12 0.17 1.61 1.01 -1.26 -0.38 120.40 121.43 2ai6 s VAL 19 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2ai6 s VAL 19 Cb 0.00 -0.41 0.07 0.00 0.00 0.00 0.00 36.38 36.04 2ai6 s VAL 19 CO 0.00 0.07 0.64 0.72 0.00 0.00 0.00 175.10 176.53 2ai6 s PHE 20 N 1.51 -0.47 0.52 5.22 -0.71 -0.69 -4.89 117.98 118.47 2ai6 s PHE 20 Ca -0.07 0.23 -0.07 0.00 -1.04 0.00 0.00 56.93 55.98 2ai6 s PHE 20 Cb -0.11 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2ai6 s PHE 20 CO -0.09 -0.88 0.86 0.15 -1.34 0.00 0.00 175.22 173.91 2ai6 s LYS 21 N -3.73 3.55 0.15 1.99 -0.14 -1.26 -0.72 119.74 119.58 2ai6 s LYS 21 Ca 0.03 0.35 -0.07 0.00 -1.36 0.00 0.00 55.97 54.91 2ai6 s LYS 21 Cb -0.02 -2.29 -0.01 0.00 -1.68 0.00 0.00 37.83 33.83 2ai6 s LYS 21 CO -0.10 -0.31 0.23 1.52 -0.76 0.00 0.00 175.35 175.93 2ai6 s TYR 22 N -2.87 0.45 0.05 3.18 1.13 -0.49 -2.75 117.35 116.04 2ai6 s TYR 22 Ca 0.50 -0.82 -0.07 0.00 -1.41 0.00 0.00 57.07 55.27 2ai6 s TYR 22 Cb -0.10 -0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 2ai6 s TYR 22 CO 0.47 -0.66 0.12 0.54 -2.51 0.00 0.00 175.55 173.52 2ai6 s VAL 23 N -3.97 0.14 -0.23 -3.49 0.11 -0.17 -1.81 120.40 110.98 2ai6 s VAL 23 Ca 0.17 -1.11 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 2ai6 s VAL 23 Cb 0.04 -1.01 0.04 0.00 -1.53 0.00 0.00 36.38 33.92 2ai6 s VAL 23 CO -0.01 -0.61 -0.12 -0.22 -3.33 0.00 0.00 175.10 170.80 2ai6 s LEU 24 N -2.29 2.98 -0.10 2.54 2.96 -0.37 -2.28 118.68 122.12 2ai6 s LEU 24 Ca -0.03 -1.02 0.03 0.00 -0.22 0.00 0.00 54.13 52.89 2ai6 s LEU 24 Cb 0.01 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2ai6 s LEU 24 CO -0.06 -0.12 -0.20 0.27 -1.32 0.00 0.00 176.35 174.93 2ai6 s ILE 25 N 1.23 2.46 0.44 6.68 -4.36 -0.87 -0.58 121.20 126.19 2ai6 s ILE 25 Ca -0.02 -0.88 -0.22 0.00 -0.26 0.00 0.00 60.65 59.27 2ai6 s ILE 25 Cb -0.17 -1.97 -0.09 0.00 1.25 0.00 0.00 42.46 41.48 2ai6 s ILE 25 CO -0.07 0.55 1.04 -0.60 0.24 0.00 0.00 174.94 176.10 2ai6 s ARG 26 N 0.25 4.00 -0.06 0.37 3.52 0.45 -0.93 118.95 126.55 2ai6 s ARG 26 Ca -0.13 1.43 -0.02 0.00 -0.13 0.00 0.00 55.73 56.88 2ai6 s ARG 26 Cb -0.17 -2.32 0.03 0.00 -1.56 0.00 0.00 34.95 30.94 2ai6 s ARG 26 CO 0.07 -0.27 0.04 0.08 -0.81 0.00 0.00 175.30 174.41 2ai6 s VAL 27 N -1.83 0.08 0.19 7.11 1.01 0.40 -2.05 120.40 125.32 2ai6 s VAL 27 Ca 0.62 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2ai6 s VAL 27 Cb -0.19 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 2ai6 s VAL 27 CO 0.23 0.18 0.52 -1.00 0.00 0.00 0.00 175.10 175.04 2ai6 s HIS 28 N 2.09 3.48 -0.53 5.22 0.09 -0.44 -0.65 115.29 124.56 2ai6 s HIS 28 Ca 0.05 0.88 -0.27 0.00 -0.00 0.00 0.00 55.06 55.72 2ai6 s HIS 28 Cb -0.12 -2.26 -0.02 0.00 -0.00 0.00 0.00 32.58 30.18 2ai6 s HIS 28 CO -0.04 0.33 1.88 -1.54 -0.00 0.00 0.00 174.74 175.38 2ai6 s SER 29 N -2.18 5.38 0.00 1.40 1.04 -0.10 -4.11 113.70 115.13 2ai6 s SER 29 Ca 0.44 0.66 0.07 0.00 0.48 0.00 0.00 55.95 57.59 2ai6 s SER 29 Cb -0.12 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.58 2ai6 s SER 29 CO 0.21 -2.23 0.95 0.00 0.98 0.00 0.00 173.24 173.14 2ai6 n ALA 30 N 12.32 2.30 -1.65 5.32 0.00 -1.26 -4.49 120.51 133.05 2ai6 n ALA 30 Ca 0.22 -1.12 -0.62 0.00 0.00 0.00 0.00 53.44 51.92 2ai6 n ALA 30 Cb 0.51 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.43 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 0.13 0.26 -3.36 0.00 -0.02 -1.26 -1.15 135.00 129.61 2ai6 n PRO 31 Ca -0.02 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.31 2ai6 n PRO 31 Cb 0.78 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.58 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 3.20 -1.08 -2.48 -0.52 5.12 0.50 -1.14 116.66 120.26 2ai6 n ARG 32 Ca 0.25 0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 56.12 2ai6 n ARG 32 Cb 0.04 -3.33 -0.01 0.00 -1.16 0.00 0.00 32.46 28.00 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 -1.44 -4.23 -0.12 0.55 7.64 -0.30 -4.83 113.62 110.89 2ai6 n SER 33 Ca 0.07 0.13 0.02 0.00 1.01 0.00 0.00 58.87 60.10 2ai6 n SER 33 Cb 0.33 -3.58 0.03 0.00 -1.01 0.00 0.00 64.21 59.98 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 -0.86 1.09 3.75 0.23 0.00 -0.29 -5.09 105.19 104.01 2ai6 n GLY 34 Ca -0.16 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.88 2.52 -0.84 4.61 0.00 -1.21 -4.94 121.76 121.02 2ai6 s ALA 35 Ca 0.07 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.39 2ai6 s ALA 35 Cb 0.06 -3.50 0.98 0.00 0.00 0.00 0.00 23.12 20.67 2ai6 s ALA 35 CO 0.01 -1.32 1.80 -0.35 0.00 0.00 0.00 175.76 175.90 2ai6 n PRO 36 N -1.63 0.12 -3.80 0.00 -0.04 -1.26 -4.93 135.00 123.46 2ai6 n PRO 36 Ca 0.14 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 2ai6 n PRO 36 Cb 0.49 -1.66 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.64 -1.04 -2.53 0.55 0.00 -1.26 -5.08 120.51 109.51 2ai6 n ALA 37 Ca 0.06 -1.41 -0.21 0.00 0.00 0.00 0.00 53.44 51.88 2ai6 n ALA 37 Cb 0.35 1.13 0.01 0.00 0.00 0.00 0.00 19.45 20.93 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 -0.69 4.51 -1.48 0.00 0.00 -1.26 -4.65 120.51 116.94 2ai6 n ALA 38 Ca -0.15 -3.92 -0.30 0.00 0.00 0.00 0.00 53.44 49.07 2ai6 n ALA 38 Cb 0.58 -0.67 0.21 0.00 0.00 0.00 0.00 19.45 19.57 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 -3.41 -0.29 0.07 0.00 2.02 -1.26 -4.80 118.70 111.03 2ai6 s GLU 39 Ca 0.41 -0.20 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 2ai6 s GLU 39 Cb 0.42 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 2ai6 s GLU 39 CO -0.11 -3.07 -0.03 -1.12 0.02 0.00 0.00 175.26 170.96 2ai6 s SER 40 N -4.34 0.57 0.13 -0.19 0.01 -1.26 -0.92 113.70 107.70 2ai6 s SER 40 Ca 0.72 -1.02 -0.04 0.00 1.31 0.00 0.00 55.95 56.92 2ai6 s SER 40 Cb -0.07 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 2ai6 s SER 40 CO 0.55 -0.59 0.12 -0.75 0.41 0.00 0.00 173.24 172.97 2ai6 s LYS 41 N -3.92 0.97 0.08 12.44 2.20 0.18 -4.98 119.74 126.71 2ai6 s LYS 41 Ca 0.10 -1.33 0.06 0.00 -0.36 0.00 0.00 55.97 54.44 2ai6 s LYS 41 Cb 0.08 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.65 2ai6 s LYS 41 CO -0.08 -0.30 -0.17 -1.21 -0.36 0.00 0.00 175.35 173.23 2ai6 s GLU 42 N -4.01 0.96 0.06 4.03 8.01 -1.26 -0.45 118.70 126.03 2ai6 s GLU 42 Ca 0.20 -1.02 0.05 0.00 0.01 0.00 0.00 54.97 54.21 2ai6 s GLU 42 Cb 0.06 -1.07 -0.03 0.00 -4.31 0.00 0.00 34.13 28.79 2ai6 s GLU 42 CO 0.00 0.25 -0.14 0.96 0.01 0.00 0.00 175.26 176.33 2ai6 s ILE 43 N -1.19 1.14 -0.25 -1.63 -4.36 -0.10 -4.93 121.20 109.88 2ai6 s ILE 43 Ca 0.02 -1.16 -0.06 0.00 -0.26 0.00 0.00 60.65 59.19 2ai6 s ILE 43 Cb -0.10 -1.06 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 2ai6 s ILE 43 CO 0.03 -0.10 0.03 -0.69 0.24 0.00 0.00 174.94 174.46 2ai6 s VAL 44 N -1.05 3.95 0.04 8.37 1.01 -0.82 -2.06 120.40 129.84 2ai6 s VAL 44 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2ai6 s VAL 44 Cb -0.09 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2ai6 s VAL 44 CO 0.02 0.33 -0.16 -0.13 0.00 0.00 0.00 175.10 175.15 2ai6 s ARG 45 N 1.55 1.09 -0.30 2.72 1.81 -0.96 -1.78 118.95 123.08 2ai6 s ARG 45 Ca 0.06 -0.80 -0.18 0.00 -1.72 0.00 0.00 55.73 53.09 2ai6 s ARG 45 Cb -0.15 -1.13 0.20 0.00 -0.45 0.00 0.00 34.95 33.42 2ai6 s ARG 45 CO 0.01 0.28 1.28 0.20 -0.68 0.00 0.00 175.30 176.40 2ai6 s GLY 46 N -1.10 0.54 0.00 -3.53 0.00 -1.16 -0.99 107.32 101.08 2ai6 s GLY 46 Ca 0.04 3.74 -0.17 0.00 0.00 0.00 0.00 44.72 48.32 2ai6 s GLY 46 CO 0.01 2.59 0.37 -0.19 0.00 0.00 0.00 173.10 175.88 2ai6 s TYR 47 N 0.84 -0.24 0.53 1.90 1.51 -1.11 -1.23 117.35 119.55 2ai6 s TYR 47 Ca -0.05 0.31 0.18 0.00 -1.01 0.00 0.00 57.07 56.50 2ai6 s TYR 47 Cb -0.03 0.16 1.35 0.00 -0.11 0.00 0.00 41.96 43.32 2ai6 s TYR 47 CO -0.11 -0.47 2.16 1.57 -1.11 0.00 0.00 175.55 177.59 2ai6 h LYS 48 N 3.49 0.00 0.00 -0.62 2.10 -1.90 -1.93 116.57 117.72 2ai6 h LYS 48 Ca -0.30 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.30 2ai6 h LYS 48 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2ai6 h LYS 48 CO 0.42 0.00 -0.24 0.11 -2.00 0.00 0.00 179.45 177.73 2ai6 h TRP 49 N 0.00 0.00 -1.57 0.07 5.08 -1.97 -3.26 115.95 114.30 2ai6 h TRP 49 Ca 0.00 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.28 2ai6 h TRP 49 Cb 0.02 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.05 2ai6 h TRP 49 CO 0.00 0.24 1.66 0.00 -1.28 0.00 0.00 178.44 179.06 2ai6 s ALA 50 N -4.22 3.55 -0.19 0.11 0.00 -0.72 -4.79 121.76 115.50 2ai6 s ALA 50 Ca -0.03 -3.03 0.24 0.00 0.00 0.00 0.00 51.96 49.14 2ai6 s ALA 50 Cb 0.14 -4.36 1.23 0.00 0.00 0.00 0.00 23.12 20.12 2ai6 s ALA 50 CO 0.67 -3.08 1.73 0.93 0.00 0.00 0.00 175.76 176.00 2ai6 h GLU 51 N 7.73 0.00 -3.96 0.00 5.08 -1.79 -3.37 114.58 118.27 2ai6 h GLU 51 Ca 0.34 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.46 2ai6 h GLU 51 Cb 0.90 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 29.88 2ai6 h GLU 51 CO 1.33 0.00 -0.73 1.52 -1.00 0.00 0.00 179.01 180.14 2ai6 s TYR 52 N -3.55 0.20 0.49 4.33 1.13 -1.26 -4.90 117.35 113.79 2ai6 s TYR 52 Ca -0.01 -0.13 0.19 0.00 -1.41 0.00 0.00 57.07 55.71 2ai6 s TYR 52 Cb 0.07 -0.13 1.24 0.00 -1.10 0.00 0.00 41.96 42.04 2ai6 s TYR 52 CO 0.25 -0.04 2.01 1.12 -2.51 0.00 0.00 175.55 176.39 2ai6 h HIS 53 N 5.78 0.16 0.00 -3.49 2.07 -1.88 -1.28 115.15 116.52 2ai6 h HIS 53 Ca -0.27 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.22 2ai6 h HIS 53 Cb 1.21 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 31.13 2ai6 h HIS 53 CO 0.46 0.08 -0.16 0.00 -3.07 0.00 0.00 177.93 175.24 2ai6 h ALA 54 N 1.77 1.44 -0.15 6.11 0.00 -1.96 -2.05 119.26 124.42 2ai6 h ALA 54 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2ai6 h ALA 54 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ai6 h ALA 54 CO -0.03 0.20 -0.03 0.22 0.00 0.00 0.00 179.25 179.61 2ai6 h ASP 55 N 0.00 0.28 -0.53 0.00 3.58 -1.61 -0.86 116.42 117.28 2ai6 h ASP 55 Ca -0.00 -0.36 -0.11 0.00 0.42 0.00 0.00 57.03 56.97 2ai6 h ASP 55 Cb 0.35 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2ai6 h ASP 55 CO 0.02 0.58 -0.11 0.16 -2.88 0.00 0.00 179.24 177.01 2ai6 h ILE 56 N -0.02 1.27 -0.16 2.25 3.07 -1.63 -0.87 117.51 121.42 2ai6 h ILE 56 Ca 0.04 -1.27 -0.00 0.00 1.55 0.00 0.00 64.86 65.17 2ai6 h ILE 56 Cb 0.45 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 37.97 2ai6 h ILE 56 CO 0.01 0.45 0.08 0.22 -1.05 0.00 0.00 178.15 177.86 2ai6 h TYR 57 N 0.90 0.22 -0.37 0.16 3.20 -1.31 -0.13 116.97 119.65 2ai6 h TYR 57 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2ai6 h TYR 57 Cb 0.68 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2ai6 h TYR 57 CO 0.05 0.23 0.18 0.22 -1.64 0.00 0.00 178.16 177.20 2ai6 h ASP 58 N 0.14 0.47 0.12 -2.11 3.58 -1.02 0.82 116.42 118.43 2ai6 h ASP 58 Ca 0.05 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2ai6 h ASP 58 Cb 0.09 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ai6 h ASP 58 CO -0.01 0.45 -0.06 0.50 -2.88 0.00 0.00 179.24 177.25 2ai6 h LYS 59 N 0.46 -0.15 0.09 0.28 3.64 -1.09 -2.23 116.57 117.56 2ai6 h LYS 59 Ca 0.13 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.25 2ai6 h LYS 59 Cb 0.10 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2ai6 h LYS 59 CO -0.02 -0.08 -1.28 0.28 -2.27 0.00 0.00 179.45 176.08 2ai6 h VAL 60 N -0.18 1.43 -0.55 2.00 2.07 -0.87 -1.36 116.25 118.80 2ai6 h VAL 60 Ca -0.02 -3.06 -0.01 0.00 0.82 0.00 0.00 66.70 64.43 2ai6 h VAL 60 Cb 0.14 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2ai6 h VAL 60 CO 0.03 0.88 0.29 0.77 0.02 0.00 0.00 177.57 179.56 2ai6 h SER 61 N 0.05 0.67 0.10 0.57 4.64 -0.91 0.60 113.55 119.27 2ai6 h SER 61 Ca -0.14 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2ai6 h SER 61 Cb 1.94 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 2ai6 h SER 61 CO 0.17 0.54 -0.05 1.23 -0.87 0.00 0.00 176.83 177.86 2ai6 h GLY 62 N 0.83 -0.14 0.97 -0.77 0.00 -1.12 0.31 103.07 103.15 2ai6 h GLY 62 Ca 0.19 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2ai6 h GLY 62 CO -0.03 -0.05 0.21 -1.80 0.00 0.00 0.00 176.54 174.86 2ai6 h ASP 63 N -0.22 0.65 -0.57 0.19 1.82 -0.89 -0.43 116.42 116.97 2ai6 h ASP 63 Ca -0.01 -0.15 0.01 0.00 -0.39 0.00 0.00 57.03 56.48 2ai6 h ASP 63 Cb 0.18 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 2ai6 h ASP 63 CO 0.02 0.62 0.37 0.24 -1.61 0.00 0.00 179.24 178.89 2ai6 h MET 64 N 0.63 0.73 -0.20 0.28 2.86 -0.85 -0.95 114.93 117.43 2ai6 h MET 64 Ca 0.16 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2ai6 h MET 64 Cb 0.16 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ai6 h MET 64 CO -0.02 0.49 -0.24 1.96 1.06 0.00 0.00 176.91 180.16 2ai6 h GLN 65 N 0.76 0.36 -0.54 1.72 1.08 -0.54 0.31 115.11 118.26 2ai6 h GLN 65 Ca 0.21 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2ai6 h GLN 65 Cb -0.07 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2ai6 h GLN 65 CO -0.06 0.59 0.26 -0.22 -0.95 0.00 0.00 178.83 178.45 2ai6 h LYS 66 N 0.33 0.77 -0.50 1.46 3.64 -0.62 -1.90 116.57 119.75 2ai6 h LYS 66 Ca 0.05 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2ai6 h LYS 66 Cb 0.60 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2ai6 h LYS 66 CO 0.04 0.63 0.19 1.96 -2.27 0.00 0.00 179.45 180.00 2ai6 h GLN 67 N 0.72 0.72 0.00 1.90 4.20 -0.50 -3.46 115.11 118.69 2ai6 h GLN 67 Ca 0.18 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 67 Cb 0.11 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2ai6 h GLN 67 CO -0.02 0.60 0.00 0.41 -0.67 0.00 0.00 178.83 179.14 2ai6 n GLY 68 N -1.09 0.67 3.72 3.46 0.00 0.81 -0.37 105.19 112.39 2ai6 n GLY 68 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 0.41 7.30 0.13 0.00 2.15 -1.26 -3.05 116.67 122.35 2ai6 s ASP 70 Ca 0.51 1.55 -0.06 0.00 0.43 0.00 0.00 52.55 54.98 2ai6 s ASP 70 Cb -0.26 -2.48 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 2ai6 s ASP 70 CO 0.31 0.11 0.18 0.00 -0.17 0.00 0.00 175.17 175.60 2ai6 s GLU 72 N -3.97 0.59 -0.24 0.00 2.12 -0.87 -4.98 118.70 111.35 2ai6 s GLU 72 Ca 0.16 0.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.13 2ai6 s GLU 72 Cb 0.05 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2ai6 s GLU 72 CO -0.02 -0.13 1.80 0.00 -0.54 0.00 0.00 175.26 176.37 2ai6 h LEU 74 N 12.81 0.00 0.00 0.00 3.38 -1.19 -3.48 115.31 126.83 2ai6 h LEU 74 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2ai6 h LEU 74 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ai6 h LEU 74 CO 1.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2ai6 n GLY 75 N -0.40 -1.40 0.00 0.83 0.00 -1.21 -4.73 105.19 98.28 2ai6 n GLY 75 Ca -0.02 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.05 1.82 0.00 -0.02 0.00 -0.85 -1.24 105.19 104.85 2ai6 n GLY 76 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.80 3.17 -0.02 0.00 -0.75 -2.07 105.19 104.72 2ai6 n GLY 77 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.44 0.82 0.01 1.61 3.52 0.18 -1.40 118.95 123.25 2ai6 s ARG 78 Ca 0.00 -1.15 0.06 0.00 -0.13 0.00 0.00 55.73 54.51 2ai6 s ARG 78 Cb 0.00 -0.47 -0.02 0.00 -1.56 0.00 0.00 34.95 32.90 2ai6 s ARG 78 CO 0.00 0.06 -0.19 0.42 -0.81 0.00 0.00 175.30 174.78 2ai6 s ILE 79 N -2.53 1.55 0.01 4.11 1.01 0.10 -1.62 121.20 123.83 2ai6 s ILE 79 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2ai6 s ILE 79 Cb -0.02 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 2ai6 s ILE 79 CO -0.01 0.33 -0.03 -0.44 0.00 0.00 0.00 174.94 174.80 2ai6 s SER 80 N -0.73 0.32 -0.16 3.58 0.01 -0.70 -1.71 113.70 114.31 2ai6 s SER 80 Ca 0.07 -0.20 0.14 0.00 1.31 0.00 0.00 55.95 57.27 2ai6 s SER 80 Cb -0.08 0.01 0.37 0.00 0.21 0.00 0.00 66.02 66.53 2ai6 s SER 80 CO 0.00 -0.07 1.19 1.57 0.41 0.00 0.00 173.24 176.34 2ai6 n HIS 81 N 2.54 0.00 -2.11 2.43 -0.00 0.49 -0.88 115.22 117.69 2ai6 n HIS 81 Ca -0.16 -1.23 0.02 0.00 0.46 0.00 0.00 57.72 56.81 2ai6 n HIS 81 Cb 0.58 -0.21 0.10 0.00 -0.12 0.00 0.00 29.99 30.34 2ai6 n HIS 81 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2ai6 n GLN 82 N -1.03 1.17 0.00 1.57 1.13 -1.26 -4.91 117.38 114.06 2ai6 n GLN 82 Ca 0.16 -2.90 0.01 0.00 -1.94 0.00 0.00 57.00 52.34 2ai6 n GLN 82 Cb 0.72 -1.04 0.05 0.00 0.11 0.00 0.00 30.24 30.07 2ai6 n GLN 82 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2ai6 n SER 83 N -0.39 0.00 -2.08 1.08 7.64 -1.26 -4.75 113.62 113.85 2ai6 n SER 83 Ca 0.15 -0.34 -0.17 0.00 1.01 0.00 0.00 58.87 59.53 2ai6 n SER 83 Cb 0.91 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.08 2ai6 n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ai6 n GLN 84 N -0.62 -1.74 -3.48 1.43 3.00 -1.26 -4.93 117.38 109.78 2ai6 n GLN 84 Ca 0.01 0.87 -0.12 0.00 -0.01 0.00 0.00 57.00 57.75 2ai6 n GLN 84 Cb 0.01 -5.39 -0.03 0.00 0.00 0.00 0.00 30.24 24.82 2ai6 n GLN 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2ai6 s ASP 85 N -2.17 -0.52 0.47 1.08 2.15 -1.26 -5.07 116.67 111.35 2ai6 s ASP 85 Ca 0.00 0.21 0.17 0.00 0.43 0.00 0.00 52.55 53.35 2ai6 s ASP 85 Cb 0.00 0.50 1.12 0.00 -0.30 0.00 0.00 42.92 44.24 2ai6 s ASP 85 CO 0.00 -0.73 2.03 0.11 -0.17 0.00 0.00 175.17 176.41 2ai6 h LYS 86 N 2.29 0.00 -6.34 4.34 1.57 -1.96 -3.44 116.57 113.03 2ai6 h LYS 86 Ca -0.28 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.96 2ai6 h LYS 86 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ai6 h LYS 86 CO 0.36 0.15 1.05 0.15 -0.57 0.00 0.00 179.45 180.58 2ai6 s LYS 87 N -4.63 4.19 0.59 3.15 1.02 -1.26 -4.93 119.74 117.87 2ai6 s LYS 87 Ca -0.04 2.25 -0.19 0.00 0.02 0.00 0.00 55.97 58.01 2ai6 s LYS 87 Cb 0.16 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2ai6 s LYS 87 CO 0.67 -0.80 1.22 0.42 -0.92 0.00 0.00 175.35 175.95 2ai6 s ILE 88 N 3.49 2.57 0.06 2.17 1.09 -1.21 -4.59 121.20 124.78 2ai6 s ILE 88 Ca 0.74 0.36 0.06 0.00 -1.10 0.00 0.00 60.65 60.71 2ai6 s ILE 88 Cb -0.36 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 37.87 2ai6 s ILE 88 CO 0.31 -0.07 -0.17 -2.28 -0.10 0.00 0.00 174.94 172.63 2ai6 s HIS 89 N -1.56 1.46 -0.11 3.97 2.46 -0.06 -1.83 115.29 119.61 2ai6 s HIS 89 Ca 0.77 -0.40 -0.00 0.00 0.47 0.00 0.00 55.06 55.90 2ai6 s HIS 89 Cb -0.31 -0.84 0.02 0.00 -0.13 0.00 0.00 32.58 31.32 2ai6 s HIS 89 CO 0.34 0.09 -0.08 0.08 -2.47 0.00 0.00 174.74 172.70 2ai6 s VAL 90 N -1.03 1.08 0.00 0.89 1.01 -0.69 -1.73 120.40 119.93 2ai6 s VAL 90 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2ai6 s VAL 90 Cb -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2ai6 s VAL 90 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.50 2ai6 n TYR 91 N 4.86 -0.50 -4.28 5.22 4.11 -0.64 -2.83 117.16 123.11 2ai6 n TYR 91 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 2ai6 n TYR 91 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 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 0.00 -1.57 3.35 -7.48 0.00 0.13 -0.65 105.19 98.97 2ai6 n GLY 92 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.44 0.33 1.61 1.13 -1.26 -4.64 117.35 114.08 2ai6 s TYR 93 Ca 0.00 0.95 -0.28 0.00 -1.41 0.00 0.00 57.07 56.32 2ai6 s TYR 93 Cb 0.00 0.19 -0.10 0.00 -1.10 0.00 0.00 41.96 40.95 2ai6 s TYR 93 CO 0.00 -0.34 1.21 -1.12 -2.51 0.00 0.00 175.55 172.79 2ai6 s SER 94 N -0.43 6.90 0.04 -0.18 0.01 -0.88 -4.63 113.70 114.53 2ai6 s SER 94 Ca -0.06 2.49 -0.24 0.00 1.31 0.00 0.00 55.95 59.45 2ai6 s SER 94 Cb -0.03 -2.64 -0.17 0.00 0.21 0.00 0.00 66.02 63.39 2ai6 s SER 94 CO 0.03 -0.43 1.50 -0.03 0.41 0.00 0.00 173.24 174.73 2ai6 h MET 95 N 3.40 0.04 0.00 12.44 4.05 -1.94 -0.58 114.93 132.35 2ai6 h MET 95 Ca -0.48 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 58.83 2ai6 h MET 95 Cb 1.22 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2ai6 h MET 95 CO 0.65 0.28 -0.55 0.00 0.23 0.00 0.00 176.91 177.52 2ai6 h ALA 96 N 0.76 0.69 -0.00 0.39 0.00 -2.02 -3.37 119.26 115.72 2ai6 h ALA 96 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2ai6 h ALA 96 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ai6 h ALA 96 CO 0.00 0.59 -0.06 0.66 0.00 0.00 0.00 179.25 180.44 2ai6 n TYR 97 N -3.17 0.00 -0.74 0.00 4.01 -1.23 -5.13 117.16 110.88 2ai6 n TYR 97 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.83 2ai6 n TYR 97 Cb 0.72 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.73 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 0.75 -2.10 3.75 2.72 0.00 -0.22 -4.30 105.19 105.77 2ai6 n GLY 98 Ca 0.01 -1.38 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.44 4.36 0.91 1.61 0.04 -1.26 -2.01 135.00 137.22 2ai6 s PRO 99 Ca 0.00 2.15 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2ai6 s PRO 99 Cb 0.00 -3.14 0.14 0.00 0.04 0.00 0.00 34.50 31.54 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 -0.35 1.78 -1.23 8.56 0.00 -1.10 -4.59 121.76 124.82 2ai6 s ALA 100 Ca 0.54 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 2ai6 s ALA 100 Cb -0.38 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 19.77 2ai6 s ALA 100 CO 0.44 -2.28 1.67 -0.65 0.00 0.00 0.00 175.76 174.94 2ai6 s GLN 101 N -5.27 3.89 0.55 0.00 -1.52 -1.26 -4.82 119.66 111.23 2ai6 s GLN 101 Ca 0.64 -1.79 0.34 0.00 -1.95 0.00 0.00 55.36 52.59 2ai6 s GLN 101 Cb -0.15 -5.49 1.84 0.00 -0.22 0.00 0.00 33.01 28.99 2ai6 s GLN 101 CO 0.53 -2.24 2.03 0.45 -0.25 0.00 0.00 175.29 175.81 2ai6 h HIS 102 N 8.11 0.00 -0.99 0.91 3.86 -1.94 0.34 115.15 125.44 2ai6 h HIS 102 Ca 0.39 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.72 2ai6 h HIS 102 Cb 0.90 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.29 2ai6 h HIS 102 CO 1.39 0.00 0.63 0.00 0.86 0.00 0.00 177.93 180.81 2ai6 h ALA 103 N 1.84 1.55 -0.02 2.45 0.00 -1.96 -0.50 119.26 122.63 2ai6 h ALA 103 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ai6 h ALA 103 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ai6 h ALA 103 CO 0.00 0.20 0.01 0.82 0.00 0.00 0.00 179.25 180.29 2ai6 h ILE 104 N 0.97 1.07 0.04 0.00 1.08 -1.33 -2.21 117.51 117.13 2ai6 h ILE 104 Ca 0.49 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.76 2ai6 h ILE 104 Cb 0.50 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.42 2ai6 h ILE 104 CO -0.26 0.06 -0.09 0.28 -0.69 0.00 0.00 178.15 177.45 2ai6 h SER 105 N -0.05 -0.25 -0.64 1.72 0.02 -1.44 -1.44 113.55 111.46 2ai6 h SER 105 Ca 0.01 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2ai6 h SER 105 Cb 0.08 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2ai6 h SER 105 CO -0.00 -0.14 0.14 0.71 -1.14 0.00 0.00 176.83 176.40 2ai6 h THR 106 N -0.18 1.26 -0.40 -2.27 1.35 -1.10 0.14 112.91 111.70 2ai6 h THR 106 Ca 0.02 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.92 2ai6 h THR 106 Cb 0.20 0.65 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 2ai6 h THR 106 CO -0.06 0.36 0.22 -0.33 -0.25 0.00 0.00 175.52 175.45 2ai6 h GLU 107 N 0.95 0.56 -0.38 4.72 5.08 -1.24 0.75 114.58 125.02 2ai6 h GLU 107 Ca 0.20 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2ai6 h GLU 107 Cb 0.38 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2ai6 h GLU 107 CO 0.00 0.46 0.06 0.87 -1.00 0.00 0.00 179.01 179.41 2ai6 h LYS 108 N 0.52 0.62 -0.70 2.33 1.57 -0.96 -1.55 116.57 118.40 2ai6 h LYS 108 Ca 0.14 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2ai6 h LYS 108 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2ai6 h LYS 108 CO -0.02 0.68 0.36 0.82 -0.57 0.00 0.00 179.45 180.72 2ai6 h ILE 109 N 0.47 1.22 -0.63 1.86 2.04 -0.56 0.08 117.51 122.00 2ai6 h ILE 109 Ca 0.11 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 2ai6 h ILE 109 Cb 0.36 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2ai6 h ILE 109 CO 0.01 0.25 0.19 0.11 0.00 0.00 0.00 178.15 178.71 2ai6 h LYS 110 N 0.96 0.95 -0.34 2.37 1.57 -0.62 0.24 116.57 121.71 2ai6 h LYS 110 Ca 0.24 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2ai6 h LYS 110 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2ai6 h LYS 110 CO -0.04 0.82 0.04 0.00 -0.57 0.00 0.00 179.45 179.70 2ai6 h ALA 111 N 1.29 0.45 -0.50 3.86 0.00 -0.84 -3.06 119.26 120.46 2ai6 h ALA 111 Ca 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2ai6 h ALA 111 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2ai6 h ALA 111 CO -0.01 0.17 0.12 -0.22 0.00 0.00 0.00 179.25 179.32 2ai6 h LYS 112 N 0.39 0.75 -6.63 0.00 1.63 -0.57 -3.48 116.57 108.66 2ai6 h LYS 112 Ca 0.10 -0.14 -0.50 0.00 -0.85 0.00 0.00 60.65 59.26 2ai6 h LYS 112 Cb 0.38 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2ai6 h LYS 112 CO 0.01 0.68 -0.96 0.98 -3.45 0.00 0.00 179.45 176.71 2ai6 n TYR 113 N -4.29 -1.78 0.24 1.91 9.36 0.80 -4.90 117.16 118.51 2ai6 n TYR 113 Ca 0.03 0.42 0.12 0.00 3.32 0.00 0.00 57.90 61.79 2ai6 n TYR 113 Cb 0.21 -3.01 0.57 0.00 -0.63 0.00 0.00 39.34 36.49 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2ai6 h PRO 114 N -1.67 0.00 0.00 2.98 0.13 -1.91 -3.42 132.00 128.11 2ai6 h PRO 114 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2ai6 h PRO 114 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2ai6 h PRO 114 CO 0.46 0.17 0.00 -3.47 -0.23 0.00 0.00 178.00 174.93 2ai6 n ASP 115 N -3.41 0.00 -2.92 1.44 2.03 -1.26 -5.17 116.55 107.25 2ai6 n ASP 115 Ca -0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 2ai6 n ASP 115 Cb 0.36 0.23 0.01 0.00 -0.72 0.00 0.00 41.12 41.00 2ai6 n ASP 115 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2ai6 s TYR 116 N -1.54 0.35 0.92 -0.67 5.04 -1.26 -5.17 117.35 115.03 2ai6 s TYR 116 Ca 0.00 -0.95 -0.11 0.00 -2.44 0.00 0.00 57.07 53.58 2ai6 s TYR 116 Cb 0.00 0.65 0.15 0.00 0.35 0.00 0.00 41.96 43.11 2ai6 s TYR 116 CO 0.00 -1.50 1.11 -2.00 -1.34 0.00 0.00 175.55 171.81 2ai6 s GLU 117 N -2.35 0.98 0.15 4.97 2.12 -1.26 -4.85 118.70 118.46 2ai6 s GLU 117 Ca 0.19 1.23 -0.02 0.00 0.36 0.00 0.00 54.97 56.73 2ai6 s GLU 117 Cb -0.04 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 2ai6 s GLU 117 CO 0.14 -2.55 0.11 0.14 -0.54 0.00 0.00 175.26 172.56 2ai6 s VAL 118 N -2.72 0.07 0.24 3.70 -7.23 -1.26 -3.36 120.40 109.85 2ai6 s VAL 118 Ca 0.65 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2ai6 s VAL 118 Cb -0.21 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 2ai6 s VAL 118 CO 0.58 -0.34 0.17 0.42 -0.31 0.00 0.00 175.10 175.63 2ai6 s THR 119 N -4.06 0.04 0.18 5.32 -4.23 -0.76 -4.96 115.64 107.17 2ai6 s THR 119 Ca 0.26 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2ai6 s THR 119 Cb 0.07 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 2ai6 s THR 119 CO 0.04 0.00 0.21 -1.66 -0.54 0.00 0.00 174.62 172.67 2ai6 s TRP 120 N -3.93 0.77 -0.09 3.99 1.48 -1.26 -1.71 118.94 118.19 2ai6 s TRP 120 Ca 0.39 -1.08 -0.12 0.00 -1.06 0.00 0.00 56.10 54.23 2ai6 s TRP 120 Cb 0.06 -0.29 0.03 0.00 -1.16 0.00 0.00 33.47 32.11 2ai6 s TRP 120 CO 0.16 -0.69 0.32 0.00 -4.06 0.00 0.00 176.95 172.68 2ai6 s ALA 121 N -4.06 -0.79 -0.50 2.67 0.00 -1.13 -4.95 121.76 112.99 2ai6 s ALA 121 Ca 0.27 0.73 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 2ai6 s ALA 121 Cb 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 23.12 22.72 2ai6 s ALA 121 CO 0.06 -0.19 3.15 -1.71 0.00 0.00 0.00 175.76 177.07 2ai6 n ASN 122 N 2.40 6.40 -0.68 0.00 5.15 -1.26 -4.41 115.26 122.85 2ai6 n ASN 122 Ca -0.16 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 2ai6 n ASN 122 Cb 0.57 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 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 2.07 0.00 -0.16 1.20 2.03 -1.26 -5.02 116.55 115.41 2ai6 n ASP 123 Ca 0.52 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2ai6 n ASP 123 Cb 0.64 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.00 -1.55 0.00 0.27 0.00 -1.26 -0.70 105.19 101.96 2ai6 n GLY 124 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60