#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 -0.14 0.30 -5.12 0.00 -1.26 -5.14 121.76 110.40 2ai6 s ALA 2 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 50.95 2ai6 s ALA 2 Cb 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 23.12 23.66 2ai6 s ALA 2 CO 0.00 -0.57 1.38 0.08 0.00 0.00 0.00 175.76 176.65 2ai6 s VAL 3 N -3.90 2.63 1.10 0.00 1.01 -1.26 -5.02 120.40 114.96 2ai6 s VAL 3 Ca 0.10 0.59 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 2ai6 s VAL 3 Cb 0.04 -3.37 0.25 0.00 0.00 0.00 0.00 36.38 33.30 2ai6 s VAL 3 CO -0.07 0.12 1.21 0.00 0.00 0.00 0.00 175.10 176.36 2ai6 s ALA 4 N -0.68 1.32 0.03 5.51 0.00 -1.26 -5.03 121.76 121.65 2ai6 s ALA 4 Ca 0.53 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 2ai6 s ALA 4 Cb -0.41 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 19.91 2ai6 s ALA 4 CO 0.50 -3.11 0.39 0.34 0.00 0.00 0.00 175.76 173.88 2ai6 s ASP 5 N -4.35 -0.26 0.56 0.00 2.15 -1.26 -4.75 116.67 108.76 2ai6 s ASP 5 Ca 0.73 0.02 0.26 0.00 0.43 0.00 0.00 52.55 53.99 2ai6 s ASP 5 Cb -0.07 0.40 1.50 0.00 -0.30 0.00 0.00 42.92 44.45 2ai6 s ASP 5 CO 0.55 -0.62 2.03 -0.07 -0.17 0.00 0.00 175.17 176.89 2ai6 h LEU 6 N 3.19 0.00 -1.07 -1.34 3.38 -1.97 -0.88 115.31 116.62 2ai6 h LEU 6 Ca -0.31 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2ai6 h LEU 6 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 6 CO 0.43 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.77 2ai6 h ALA 7 N 1.72 1.00 0.00 1.53 0.00 -2.03 -3.16 119.26 118.33 2ai6 h ALA 7 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ai6 h ALA 7 Cb 0.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2ai6 h ALA 7 CO -0.00 0.24 -0.10 -0.07 0.00 0.00 0.00 179.25 179.31 2ai6 h LEU 8 N 0.00 0.00 -9.76 0.00 3.38 -1.57 -3.46 115.31 103.90 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 0.75 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.56 2ai6 h LEU 8 CO 0.02 0.10 0.79 -0.63 0.09 0.00 0.00 178.44 178.82 2ai6 s ILE 9 N -3.29 2.50 -0.36 1.22 1.01 -1.20 -4.90 121.20 116.19 2ai6 s ILE 9 Ca 0.05 0.42 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 2ai6 s ILE 9 Cb 0.07 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 39.19 2ai6 s ILE 9 CO 0.66 0.07 2.29 -2.65 0.00 0.00 0.00 174.94 175.31 2ai6 n PRO 10 N 2.32 1.41 0.06 2.79 -0.02 -1.26 -4.85 135.00 135.45 2ai6 n PRO 10 Ca 0.07 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.82 2ai6 n PRO 10 Cb 0.39 -3.02 0.18 0.00 -0.02 0.00 0.00 33.50 31.03 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 15.47 0.36 -3.71 2.55 3.58 -1.92 -3.43 116.42 129.32 2ai6 h ASP 11 Ca -0.31 -0.16 -0.21 0.00 0.42 0.00 0.00 57.03 56.76 2ai6 h ASP 11 Cb 1.27 -0.10 -0.28 0.00 1.72 0.00 0.00 39.33 41.94 2ai6 h ASP 11 CO 1.05 0.75 -0.61 -0.69 -2.88 0.00 0.00 179.24 176.85 2ai6 s VAL 12 N -4.14 -0.01 -0.27 2.25 1.01 -1.26 -2.23 120.40 115.75 2ai6 s VAL 12 Ca -0.05 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2ai6 s VAL 12 Cb 0.13 -0.15 0.15 0.00 0.00 0.00 0.00 36.38 36.50 2ai6 s VAL 12 CO 0.79 0.01 0.37 -0.62 0.00 0.00 0.00 175.10 175.65 2ai6 s ASP 13 N 0.25 0.64 0.16 3.32 2.15 -0.83 -4.99 116.67 117.37 2ai6 s ASP 13 Ca -0.02 -0.27 -0.05 0.00 0.43 0.00 0.00 52.55 52.64 2ai6 s ASP 13 Cb -0.03 0.96 -0.02 0.00 -0.30 0.00 0.00 42.92 43.53 2ai6 s ASP 13 CO -0.01 -0.34 0.20 0.27 -0.17 0.00 0.00 175.17 175.12 2ai6 s ILE 14 N 2.50 0.06 -0.14 4.11 -4.36 -1.26 -3.60 121.20 118.52 2ai6 s ILE 14 Ca 0.10 -1.66 -0.09 0.00 -0.26 0.00 0.00 60.65 58.74 2ai6 s ILE 14 Cb -0.14 -2.04 0.05 0.00 1.25 0.00 0.00 42.46 41.58 2ai6 s ILE 14 CO -0.26 -0.29 0.34 -0.62 0.24 0.00 0.00 174.94 174.35 2ai6 s ASP 15 N -3.03 -0.39 0.00 4.36 2.15 -1.26 -5.00 116.67 113.51 2ai6 s ASP 15 Ca 0.23 0.71 -0.00 0.00 0.43 0.00 0.00 52.55 53.92 2ai6 s ASP 15 Cb 0.05 0.64 -0.01 0.00 -0.30 0.00 0.00 42.92 43.30 2ai6 s ASP 15 CO 0.03 -0.16 1.46 -1.20 -0.17 0.00 0.00 175.17 175.13 2ai6 n SER 16 N 3.77 3.82 0.23 -0.34 7.64 -1.26 -4.56 113.62 122.91 2ai6 n SER 16 Ca -0.20 -2.01 0.07 0.00 1.01 0.00 0.00 58.87 57.74 2ai6 n SER 16 Cb 0.55 -0.81 0.61 0.00 -1.01 0.00 0.00 64.21 63.55 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 1.91 0.05 0.00 6.43 3.58 -2.01 -3.48 116.42 122.90 2ai6 h ASP 17 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ai6 h ASP 17 Cb 0.72 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2ai6 h ASP 17 CO 0.01 0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 2ai6 n GLY 18 N -1.49 -0.58 3.74 -0.78 0.00 -1.26 -5.11 105.19 99.70 2ai6 n GLY 18 Ca -0.02 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.47 3.42 0.25 1.61 1.01 -1.26 -4.76 120.40 117.20 2ai6 s VAL 19 Ca 0.00 1.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.99 2ai6 s VAL 19 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2ai6 s VAL 19 CO 0.00 0.21 0.68 0.72 0.00 0.00 0.00 175.10 176.71 2ai6 s PHE 20 N -0.19 -0.22 0.19 5.22 -0.71 -0.91 -4.88 117.98 116.49 2ai6 s PHE 20 Ca 0.53 -0.19 0.01 0.00 -1.04 0.00 0.00 56.93 56.24 2ai6 s PHE 20 Cb -0.34 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2ai6 s PHE 20 CO 0.39 -1.15 0.35 0.15 -1.34 0.00 0.00 175.22 173.62 2ai6 s LYS 21 N -3.89 3.49 0.20 1.99 1.02 -1.26 -0.79 119.74 120.49 2ai6 s LYS 21 Ca 0.10 -0.45 -0.00 0.00 0.02 0.00 0.00 55.97 55.63 2ai6 s LYS 21 Cb -0.05 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2ai6 s LYS 21 CO 0.03 0.44 0.10 1.52 -0.92 0.00 0.00 175.35 176.52 2ai6 s TYR 22 N -1.84 1.20 0.03 3.18 1.13 -0.43 -2.84 117.35 117.78 2ai6 s TYR 22 Ca 0.37 -1.28 -0.04 0.00 -1.41 0.00 0.00 57.07 54.71 2ai6 s TYR 22 Cb -0.11 -0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 40.10 2ai6 s TYR 22 CO 0.29 -0.51 0.07 0.54 -2.51 0.00 0.00 175.55 173.43 2ai6 s VAL 23 N -4.00 0.13 -0.22 -3.49 0.11 -0.16 -2.59 120.40 110.18 2ai6 s VAL 23 Ca 0.35 -1.06 -0.02 0.00 -2.93 0.00 0.00 61.98 58.32 2ai6 s VAL 23 Cb 0.07 -0.75 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2ai6 s VAL 23 CO 0.10 -0.58 -0.09 -0.22 -3.33 0.00 0.00 175.10 170.98 2ai6 s LEU 24 N -1.95 2.84 -0.06 2.54 2.96 -0.53 -2.67 118.68 121.82 2ai6 s LEU 24 Ca -0.08 -0.65 0.02 0.00 -0.22 0.00 0.00 54.13 53.21 2ai6 s LEU 24 Cb -0.03 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 45.02 2ai6 s LEU 24 CO -0.03 -0.06 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.32 2ai6 s ILE 25 N 1.37 1.00 0.37 6.68 -1.16 -0.85 -0.65 121.20 127.95 2ai6 s ILE 25 Ca 0.03 -0.40 -0.23 0.00 -0.51 0.00 0.00 60.65 59.55 2ai6 s ILE 25 Cb -0.15 -0.93 -0.10 0.00 0.61 0.00 0.00 42.46 41.89 2ai6 s ILE 25 CO -0.06 0.32 0.92 -0.60 -2.81 0.00 0.00 174.94 172.72 2ai6 s ARG 26 N 0.70 4.37 -0.07 3.50 3.52 0.38 -0.69 118.95 130.67 2ai6 s ARG 26 Ca -0.14 1.17 0.02 0.00 -0.13 0.00 0.00 55.73 56.65 2ai6 s ARG 26 Cb -0.15 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2ai6 s ARG 26 CO 0.03 0.13 -0.12 0.08 -0.81 0.00 0.00 175.30 174.61 2ai6 s VAL 27 N -1.90 1.12 0.27 7.11 1.01 0.38 -1.93 120.40 126.47 2ai6 s VAL 27 Ca 0.56 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2ai6 s VAL 27 Cb -0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2ai6 s VAL 27 CO 0.18 0.35 0.51 -1.00 0.00 0.00 0.00 175.10 175.14 2ai6 s HIS 28 N 0.69 3.48 -1.01 5.22 0.09 -0.40 -1.69 115.29 121.68 2ai6 s HIS 28 Ca -0.14 0.51 -0.25 0.00 -0.00 0.00 0.00 55.06 55.19 2ai6 s HIS 28 Cb -0.16 -2.00 -0.11 0.00 -0.00 0.00 0.00 32.58 30.31 2ai6 s HIS 28 CO 0.03 0.22 2.05 -1.12 -0.00 0.00 0.00 174.74 175.92 2ai6 s SER 29 N -3.31 4.58 0.00 1.40 0.01 0.12 -4.29 113.70 112.21 2ai6 s SER 29 Ca 0.42 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2ai6 s SER 29 Cb -0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ai6 s SER 29 CO 0.31 -3.42 0.63 0.00 0.41 0.00 0.00 173.24 171.17 2ai6 n ALA 30 N 15.95 1.31 -1.55 1.44 0.00 -1.26 -4.64 120.51 131.76 2ai6 n ALA 30 Ca 0.43 -0.62 -0.48 0.00 0.00 0.00 0.00 53.44 52.77 2ai6 n ALA 30 Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 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 0.98 -2.84 0.00 -0.02 -1.26 -1.18 135.00 130.67 2ai6 n PRO 31 Ca 0.00 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2ai6 n PRO 31 Cb 0.56 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.40 -2.61 -2.73 -0.52 1.74 0.56 -3.12 116.66 111.38 2ai6 n ARG 32 Ca 0.14 0.08 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 2ai6 n ARG 32 Cb 0.25 -4.61 -0.00 0.00 -1.02 0.00 0.00 32.46 27.08 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ai6 n SER 33 N -1.70 -4.36 -0.59 0.55 7.64 -0.32 -4.76 113.62 110.08 2ai6 n SER 33 Ca 0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 2ai6 n SER 33 Cb 0.50 -3.64 -0.01 0.00 -1.01 0.00 0.00 64.21 60.05 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 -1.01 0.84 3.74 0.23 0.00 -1.18 -5.11 105.19 102.71 2ai6 n GLY 34 Ca -0.12 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.61 -1.83 4.61 0.00 -1.25 -4.92 121.76 120.98 2ai6 s ALA 35 Ca 0.01 1.27 0.31 0.00 0.00 0.00 0.00 51.96 53.56 2ai6 s ALA 35 Cb 0.01 -3.56 1.78 0.00 0.00 0.00 0.00 23.12 21.36 2ai6 s ALA 35 CO -0.01 -1.47 2.17 -0.35 0.00 0.00 0.00 175.76 176.10 2ai6 n PRO 36 N -1.45 0.83 -2.35 0.00 -0.04 -1.26 -4.90 135.00 125.83 2ai6 n PRO 36 Ca 0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2ai6 n PRO 36 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.08 -0.21 -2.43 0.55 0.00 -1.26 -5.07 120.51 111.00 2ai6 n ALA 37 Ca 0.21 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 2ai6 n ALA 37 Cb 0.15 0.45 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.17 3.42 -1.15 0.00 0.00 -1.26 -4.68 120.51 114.66 2ai6 n ALA 38 Ca -0.05 -3.08 -0.29 0.00 0.00 0.00 0.00 53.44 50.02 2ai6 n ALA 38 Cb 0.21 -0.64 0.17 0.00 0.00 0.00 0.00 19.45 19.19 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 0.65 0.06 0.00 0.41 -1.26 -4.71 118.70 110.65 2ai6 s GLU 39 Ca 0.36 0.64 -0.04 0.00 -0.41 0.00 0.00 54.97 55.52 2ai6 s GLU 39 Cb 0.36 -1.75 -0.02 0.00 -1.78 0.00 0.00 34.13 30.94 2ai6 s GLU 39 CO -0.03 -2.61 0.06 -1.12 -0.49 0.00 0.00 175.26 171.07 2ai6 s SER 40 N -3.40 0.33 0.16 -0.19 0.01 -1.26 -0.71 113.70 108.64 2ai6 s SER 40 Ca 0.65 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 2ai6 s SER 40 Cb -0.19 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2ai6 s SER 40 CO 0.58 -0.63 0.32 -1.59 0.41 0.00 0.00 173.24 172.33 2ai6 s LYS 41 N -3.73 1.16 0.10 12.44 0.00 -0.68 -4.98 119.74 124.04 2ai6 s LYS 41 Ca 0.05 -1.08 0.05 0.00 0.00 0.00 0.00 55.97 54.99 2ai6 s LYS 41 Cb 0.06 0.40 -0.04 0.00 0.00 0.00 0.00 37.83 38.25 2ai6 s LYS 41 CO -0.10 -0.44 0.01 -1.21 0.00 0.00 0.00 175.35 173.61 2ai6 s GLU 42 N -3.93 2.56 0.15 1.78 8.01 -1.26 -0.47 118.70 125.54 2ai6 s GLU 42 Ca 0.14 -0.85 0.07 0.00 0.01 0.00 0.00 54.97 54.34 2ai6 s GLU 42 Cb 0.03 -2.54 -0.04 0.00 -4.31 0.00 0.00 34.13 27.26 2ai6 s GLU 42 CO -0.02 0.54 -0.15 0.96 0.01 0.00 0.00 175.26 176.59 2ai6 s ILE 43 N -1.35 1.53 -0.19 -1.63 -4.36 0.14 -4.98 121.20 110.36 2ai6 s ILE 43 Ca 0.26 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 2ai6 s ILE 43 Cb -0.12 -1.70 0.03 0.00 1.25 0.00 0.00 42.46 41.93 2ai6 s ILE 43 CO 0.19 -0.41 -0.14 -0.69 0.24 0.00 0.00 174.94 174.13 2ai6 s VAL 44 N -2.23 1.84 0.03 8.37 1.01 -0.95 -2.01 120.40 126.46 2ai6 s VAL 44 Ca 0.13 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2ai6 s VAL 44 Cb -0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2ai6 s VAL 44 CO 0.04 0.30 -0.06 -0.13 0.00 0.00 0.00 175.10 175.25 2ai6 s ARG 45 N 1.33 0.46 -0.30 2.72 1.81 -1.09 -1.97 118.95 121.93 2ai6 s ARG 45 Ca 0.01 -0.58 -0.23 0.00 -1.72 0.00 0.00 55.73 53.20 2ai6 s ARG 45 Cb -0.15 -0.27 0.19 0.00 -0.45 0.00 0.00 34.95 34.27 2ai6 s ARG 45 CO -0.10 0.05 1.39 0.20 -0.68 0.00 0.00 175.30 176.17 2ai6 s GLY 46 N -1.17 0.38 0.06 -3.53 0.00 -1.24 -0.98 107.32 100.84 2ai6 s GLY 46 Ca -0.07 3.54 -0.19 0.00 0.00 0.00 0.00 44.72 48.00 2ai6 s GLY 46 CO 0.00 2.08 0.44 -0.19 0.00 0.00 0.00 173.10 175.43 2ai6 s TYR 47 N 0.21 -0.30 0.43 1.90 1.51 -1.13 -4.48 117.35 115.49 2ai6 s TYR 47 Ca 0.05 0.22 0.09 0.00 -1.01 0.00 0.00 57.07 56.41 2ai6 s TYR 47 Cb -0.05 0.26 0.92 0.00 -0.11 0.00 0.00 41.96 42.99 2ai6 s TYR 47 CO -0.14 -0.62 2.05 -0.22 -1.11 0.00 0.00 175.55 175.51 2ai6 h LYS 48 N 2.80 0.39 0.00 -0.62 1.63 -1.89 -2.04 116.57 116.84 2ai6 h LYS 48 Ca -0.32 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.41 2ai6 h LYS 48 Cb 1.22 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 2ai6 h LYS 48 CO 0.43 0.30 -0.21 0.11 -3.45 0.00 0.00 179.45 176.64 2ai6 h TRP 49 N 0.40 0.00 -1.25 1.91 5.08 -1.97 -3.31 115.95 116.82 2ai6 h TRP 49 Ca 0.10 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.37 2ai6 h TRP 49 Cb 0.02 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.07 2ai6 h TRP 49 CO 0.00 0.21 1.99 0.00 -1.28 0.00 0.00 178.44 179.36 2ai6 n ALA 50 N -2.37 3.87 0.32 0.11 0.00 -0.77 -4.76 120.51 116.91 2ai6 n ALA 50 Ca -0.02 -4.00 0.04 0.00 0.00 0.00 0.00 53.44 49.46 2ai6 n ALA 50 Cb 0.30 -3.40 0.18 0.00 0.00 0.00 0.00 19.45 16.53 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 7.16 0.08 -3.82 0.00 -0.58 -1.25 -4.31 120.64 117.92 2ai6 n GLU 51 Ca 0.45 0.26 -0.12 0.00 -0.42 0.00 0.00 57.16 57.33 2ai6 n GLU 51 Cb 0.44 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.70 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2ai6 s TYR 52 N -2.69 -0.15 0.48 -0.32 1.13 -1.26 -5.00 117.35 109.53 2ai6 s TYR 52 Ca 0.06 0.36 0.16 0.00 -1.41 0.00 0.00 57.07 56.24 2ai6 s TYR 52 Cb 0.05 0.05 1.15 0.00 -1.10 0.00 0.00 41.96 42.10 2ai6 s TYR 52 CO 0.12 -0.15 2.06 0.45 -2.51 0.00 0.00 175.55 175.52 2ai6 h HIS 53 N 5.43 0.00 0.00 -3.49 3.86 -1.88 -0.93 115.15 118.14 2ai6 h HIS 53 Ca -0.27 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2ai6 h HIS 53 Cb 1.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.66 2ai6 h HIS 53 CO 0.45 0.10 -0.01 0.00 0.86 0.00 0.00 177.93 179.33 2ai6 h ALA 54 N 1.90 1.90 -0.29 2.45 0.00 -1.96 -1.68 119.26 121.57 2ai6 h ALA 54 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2ai6 h ALA 54 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2ai6 h ALA 54 CO 0.01 0.02 -0.06 0.22 0.00 0.00 0.00 179.25 179.44 2ai6 h ASP 55 N 0.00 0.56 -0.29 0.00 3.58 -1.54 -0.66 116.42 118.06 2ai6 h ASP 55 Ca -0.00 -0.36 -0.15 0.00 0.42 0.00 0.00 57.03 56.94 2ai6 h ASP 55 Cb 0.03 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 2ai6 h ASP 55 CO 0.00 0.79 -0.40 0.16 -2.88 0.00 0.00 179.24 176.91 2ai6 h ILE 56 N 0.32 1.29 -0.49 2.25 3.07 -1.61 -0.59 117.51 121.77 2ai6 h ILE 56 Ca 0.08 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.90 2ai6 h ILE 56 Cb 0.54 1.61 -0.02 0.00 -0.27 0.00 0.00 36.82 38.67 2ai6 h ILE 56 CO 0.03 0.51 0.31 0.22 -1.05 0.00 0.00 178.15 178.17 2ai6 h TYR 57 N 0.55 0.62 -0.15 0.16 3.20 -1.25 0.38 116.97 120.47 2ai6 h TYR 57 Ca 0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2ai6 h TYR 57 Cb 0.99 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2ai6 h TYR 57 CO 0.07 0.40 0.06 0.22 -1.64 0.00 0.00 178.16 177.28 2ai6 h ASP 58 N 0.66 0.21 0.28 -2.11 3.58 -1.02 0.13 116.42 118.15 2ai6 h ASP 58 Ca 0.18 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2ai6 h ASP 58 Cb -0.06 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2ai6 h ASP 58 CO -0.04 0.31 -0.37 0.50 -2.88 0.00 0.00 179.24 176.76 2ai6 h LYS 59 N 0.10 -0.68 -0.10 0.28 1.63 -0.92 -1.04 116.57 115.84 2ai6 h LYS 59 Ca 0.05 0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.75 2ai6 h LYS 59 Cb 0.16 0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2ai6 h LYS 59 CO -0.00 -0.45 -0.50 0.28 -3.45 0.00 0.00 179.45 175.33 2ai6 h VAL 60 N -0.70 1.37 -0.55 2.00 2.07 -0.86 -2.00 116.25 117.58 2ai6 h VAL 60 Ca -0.01 -1.83 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2ai6 h VAL 60 Cb 0.66 2.21 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2ai6 h VAL 60 CO -0.12 0.55 0.33 -1.28 0.02 0.00 0.00 177.57 177.07 2ai6 h SER 61 N 0.11 0.64 -0.23 0.57 0.87 -0.76 0.13 113.55 114.88 2ai6 h SER 61 Ca -0.03 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2ai6 h SER 61 Cb 1.15 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.92 2ai6 h SER 61 CO 0.10 0.49 0.11 1.23 -0.53 0.00 0.00 176.83 178.24 2ai6 h GLY 62 N 0.78 0.30 0.88 5.77 0.00 -0.93 0.76 103.07 110.64 2ai6 h GLY 62 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2ai6 h GLY 62 CO -0.04 0.06 0.07 -1.80 0.00 0.00 0.00 176.54 174.84 2ai6 h ASP 63 N 0.24 0.37 -0.65 0.19 1.82 -0.51 -0.70 116.42 117.18 2ai6 h ASP 63 Ca 0.10 -0.21 0.02 0.00 -0.39 0.00 0.00 57.03 56.55 2ai6 h ASP 63 Cb 0.03 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.91 2ai6 h ASP 63 CO -0.07 0.48 0.41 0.24 -1.61 0.00 0.00 179.24 178.69 2ai6 h MET 64 N 0.24 0.78 -0.20 0.28 2.86 -0.67 -0.34 114.93 117.89 2ai6 h MET 64 Ca 0.08 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2ai6 h MET 64 Cb 0.25 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2ai6 h MET 64 CO -0.00 0.52 -0.23 1.96 1.06 0.00 0.00 176.91 180.22 2ai6 h GLN 65 N 0.81 0.36 -0.75 1.72 4.20 -0.65 0.16 115.11 120.96 2ai6 h GLN 65 Ca 0.26 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 65 Cb -0.00 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2ai6 h GLN 65 CO -0.09 0.57 0.24 -0.22 -0.67 0.00 0.00 178.83 178.66 2ai6 h LYS 66 N 0.33 1.17 0.00 1.46 3.64 -0.46 -1.02 116.57 121.68 2ai6 h LYS 66 Ca 0.05 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2ai6 h LYS 66 Cb 0.59 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2ai6 h LYS 66 CO 0.04 0.99 -0.01 1.96 -2.27 0.00 0.00 179.45 180.16 2ai6 h GLN 67 N 1.12 0.00 0.00 1.90 4.20 -0.14 -3.47 115.11 118.72 2ai6 h GLN 67 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2ai6 h GLN 67 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2ai6 h GLN 67 CO -0.01 0.01 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2ai6 n GLY 68 N -0.59 1.39 3.60 3.46 0.00 -0.14 -0.32 105.19 112.60 2ai6 n GLY 68 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.98 1.30 0.17 0.00 2.15 -1.26 -4.19 116.67 110.86 2ai6 s ASP 70 Ca 0.72 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 53.21 2ai6 s ASP 70 Cb -0.09 -0.08 -0.01 0.00 -0.30 0.00 0.00 42.92 42.45 2ai6 s ASP 70 CO 0.56 0.00 0.29 0.00 -0.17 0.00 0.00 175.17 175.85 2ai6 s GLU 72 N -3.97 0.36 -0.22 0.00 0.41 -0.81 -4.99 118.70 109.48 2ai6 s GLU 72 Ca 0.18 0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 2ai6 s GLU 72 Cb 0.03 -0.02 -0.02 0.00 -1.78 0.00 0.00 34.13 32.34 2ai6 s GLU 72 CO 0.01 -0.15 1.48 0.00 -0.49 0.00 0.00 175.26 176.11 2ai6 h LEU 74 N 11.02 0.00 0.00 0.00 3.38 -1.25 -3.48 115.31 124.97 2ai6 h LEU 74 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2ai6 h LEU 74 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2ai6 h LEU 74 CO 1.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 180.50 2ai6 n GLY 75 N 0.55 -1.20 0.00 0.83 0.00 -1.22 -4.70 105.19 99.46 2ai6 n GLY 75 Ca 0.01 -1.04 0.00 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 2.07 0.00 -0.02 0.00 -0.61 -1.45 105.19 105.18 2ai6 n GLY 76 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.77 3.44 -0.02 0.00 -1.07 -1.44 105.19 106.87 2ai6 n GLY 77 Ca 0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.01 1.57 -0.16 1.61 3.52 0.09 -1.31 118.95 124.27 2ai6 s ARG 78 Ca 0.00 -1.51 -0.01 0.00 -0.13 0.00 0.00 55.73 54.07 2ai6 s ARG 78 Cb 0.00 -1.87 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 2ai6 s ARG 78 CO 0.00 0.40 -0.10 0.42 -0.81 0.00 0.00 175.30 175.21 2ai6 s ILE 79 N -1.70 3.19 0.01 4.11 1.01 0.03 -1.73 121.20 126.12 2ai6 s ILE 79 Ca 0.21 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 2ai6 s ILE 79 Cb -0.08 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2ai6 s ILE 79 CO 0.10 0.50 0.32 -0.44 0.00 0.00 0.00 174.94 175.42 2ai6 s SER 80 N 0.68 -0.17 0.89 3.58 0.01 -0.76 -2.13 113.70 115.79 2ai6 s SER 80 Ca -0.05 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 2ai6 s SER 80 Cb -0.15 0.34 0.13 0.00 0.21 0.00 0.00 66.02 66.54 2ai6 s SER 80 CO 0.02 -0.54 1.09 -1.38 0.41 0.00 0.00 173.24 172.85 2ai6 s HIS 81 N -1.95 2.19 0.09 2.43 -3.43 -1.26 -0.54 115.29 112.83 2ai6 s HIS 81 Ca -0.09 1.42 0.05 0.00 -0.80 0.00 0.00 55.06 55.64 2ai6 s HIS 81 Cb -0.03 -3.15 -0.03 0.00 -1.43 0.00 0.00 32.58 27.94 2ai6 s HIS 81 CO 0.01 -2.43 -0.14 1.14 -2.00 0.00 0.00 174.74 171.32 2ai6 s GLN 82 N -4.84 0.87 0.43 -0.38 -2.07 -0.87 -4.84 119.66 107.96 2ai6 s GLN 82 Ca 0.64 -1.05 0.30 0.00 -1.82 0.00 0.00 55.36 53.43 2ai6 s GLN 82 Cb -0.19 -0.81 1.50 0.00 -1.09 0.00 0.00 33.01 32.42 2ai6 s GLN 82 CO 0.57 0.17 1.90 0.77 -1.32 0.00 0.00 175.29 177.39 2ai6 h SER 83 N 4.02 0.00 -0.29 12.60 0.02 -1.96 -0.27 113.55 127.68 2ai6 h SER 83 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2ai6 h SER 83 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2ai6 h SER 83 CO 0.44 0.00 0.18 1.56 -1.14 0.00 0.00 176.83 177.87 2ai6 h GLN 84 N 0.00 0.38 0.00 3.45 4.20 -1.97 -3.40 115.11 117.77 2ai6 h GLN 84 Ca 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2ai6 h GLN 84 Cb 0.14 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2ai6 h GLN 84 CO 0.00 0.27 -0.05 -3.47 -0.67 0.00 0.00 178.83 174.91 2ai6 n ASP 85 N -4.88 -0.16 -1.26 1.46 2.03 -1.19 -4.97 116.55 107.58 2ai6 n ASP 85 Ca -0.02 -1.03 -0.15 0.00 0.52 0.00 0.00 54.79 54.12 2ai6 n ASP 85 Cb 0.03 0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.42 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 -1.48 -1.69 -0.67 5.02 -0.12 -4.94 118.16 114.27 2ai6 n LYS 86 Ca -0.04 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 56.75 2ai6 n LYS 86 Cb 0.47 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 2ai6 n LYS 86 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ai6 n LYS 87 N -1.67 2.69 -1.91 1.97 4.81 -1.25 -4.34 118.16 118.45 2ai6 n LYS 87 Ca -0.15 0.97 -0.36 0.00 -0.87 0.00 0.00 58.31 57.91 2ai6 n LYS 87 Cb 0.55 -2.84 0.05 0.00 0.02 0.00 0.00 35.03 32.80 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2ai6 s ILE 88 N 2.23 2.42 -0.03 3.15 -4.36 -1.26 -2.05 121.20 121.30 2ai6 s ILE 88 Ca 0.81 0.26 -0.05 0.00 -0.26 0.00 0.00 60.65 61.41 2ai6 s ILE 88 Cb -0.52 -3.10 0.01 0.00 1.25 0.00 0.00 42.46 40.10 2ai6 s ILE 88 CO 0.37 -0.06 0.12 -2.28 0.24 0.00 0.00 174.94 173.33 2ai6 s HIS 89 N -1.53 -0.06 -0.25 1.37 2.46 0.30 -3.24 115.29 114.35 2ai6 s HIS 89 Ca 0.79 0.14 -0.00 0.00 0.47 0.00 0.00 55.06 56.46 2ai6 s HIS 89 Cb -0.33 0.00 0.04 0.00 -0.13 0.00 0.00 32.58 32.16 2ai6 s HIS 89 CO 0.35 -0.14 -0.09 0.08 -2.47 0.00 0.00 174.74 172.47 2ai6 s VAL 90 N -0.48 2.59 0.13 0.89 1.01 0.01 -1.83 120.40 122.72 2ai6 s VAL 90 Ca -0.06 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 2ai6 s VAL 90 Cb -0.04 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2ai6 s VAL 90 CO 0.00 0.16 0.26 0.00 0.00 0.00 0.00 175.10 175.52 2ai6 n TYR 91 N 4.60 -1.44 -4.17 5.22 4.11 -0.71 -2.97 117.16 121.81 2ai6 n TYR 91 Ca -0.16 -0.61 0.00 0.00 -0.00 0.00 0.00 57.90 57.13 2ai6 n TYR 91 Cb 0.46 0.30 0.00 0.00 -0.00 0.00 0.00 39.34 40.10 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 -0.17 -0.78 3.15 -7.48 0.00 -0.36 -0.73 105.19 98.81 2ai6 n GLY 92 Ca -0.03 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.05 0.12 1.61 1.13 -1.26 -4.65 117.35 114.35 2ai6 s TYR 93 Ca 0.00 -0.21 -0.31 0.00 -1.41 0.00 0.00 57.07 55.14 2ai6 s TYR 93 Cb 0.00 -0.04 -0.08 0.00 -1.10 0.00 0.00 41.96 40.74 2ai6 s TYR 93 CO 0.00 -0.37 1.37 0.45 -2.51 0.00 0.00 175.55 174.50 2ai6 s SER 94 N -1.79 6.84 0.00 -0.18 0.15 -0.52 -4.50 113.70 113.71 2ai6 s SER 94 Ca -0.09 2.32 0.07 0.00 0.70 0.00 0.00 55.95 58.95 2ai6 s SER 94 Cb -0.04 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 62.01 2ai6 s SER 94 CO -0.01 -0.63 1.17 1.15 1.20 0.00 0.00 173.24 176.12 2ai6 n MET 95 N 3.81 0.04 -0.01 5.44 0.00 -1.26 -1.27 117.12 123.87 2ai6 n MET 95 Ca 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 57.70 58.12 2ai6 n MET 95 Cb 0.42 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.12 2ai6 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ai6 n ALA 96 N -1.42 1.97 -0.64 3.17 0.00 -1.26 -4.87 120.51 117.47 2ai6 n ALA 96 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2ai6 n ALA 96 Cb 0.07 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.99 0.00 -1.43 0.00 4.01 -1.19 -5.08 117.16 111.47 2ai6 n TYR 97 Ca -0.04 -0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2ai6 n TYR 97 Cb 0.47 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.04 -2.08 3.71 2.72 0.00 -0.39 -4.40 105.19 104.70 2ai6 n GLY 98 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.96 4.33 0.85 1.61 0.04 -1.26 -1.57 135.00 138.05 2ai6 s PRO 99 Ca 0.00 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 2ai6 s PRO 99 Cb 0.00 -3.36 0.10 0.00 0.04 0.00 0.00 34.50 31.29 2ai6 s PRO 99 CO 0.00 -0.44 1.12 0.00 0.04 0.00 0.00 177.00 177.72 2ai6 s ALA 100 N 1.45 2.01 -1.20 8.56 0.00 -1.00 -4.63 121.76 126.93 2ai6 s ALA 100 Ca 0.63 -0.35 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 2ai6 s ALA 100 Cb -0.34 -3.07 0.06 0.00 0.00 0.00 0.00 23.12 19.77 2ai6 s ALA 100 CO 0.29 -2.00 1.64 -0.65 0.00 0.00 0.00 175.76 175.03 2ai6 s GLN 101 N -5.21 3.85 0.32 0.00 -1.52 -1.26 -4.82 119.66 111.02 2ai6 s GLN 101 Ca 0.62 -1.70 0.21 0.00 -1.95 0.00 0.00 55.36 52.55 2ai6 s GLN 101 Cb -0.15 -5.48 1.13 0.00 -0.22 0.00 0.00 33.01 28.30 2ai6 s GLN 101 CO 0.54 -2.24 1.63 0.72 -0.25 0.00 0.00 175.29 175.68 2ai6 n HIS 102 N 8.57 0.71 -0.32 0.91 8.25 -1.26 -0.68 115.22 131.40 2ai6 n HIS 102 Ca 0.43 0.37 -0.01 0.00 -0.26 0.00 0.00 57.72 58.26 2ai6 n HIS 102 Cb 0.48 -1.07 0.12 0.00 1.12 0.00 0.00 29.99 30.64 2ai6 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ai6 h ALA 103 N 1.92 1.18 0.12 -1.41 0.00 -1.95 -0.15 119.26 118.96 2ai6 h ALA 103 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2ai6 h ALA 103 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2ai6 h ALA 103 CO 0.00 0.39 -0.06 0.82 0.00 0.00 0.00 179.25 180.41 2ai6 h ILE 104 N 1.08 0.94 -0.08 0.00 1.08 -1.31 -2.01 117.51 117.21 2ai6 h ILE 104 Ca 0.36 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.62 2ai6 h ILE 104 Cb 0.04 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2ai6 h ILE 104 CO -0.13 0.06 -0.10 0.28 -0.69 0.00 0.00 178.15 177.57 2ai6 h SER 105 N -0.27 -0.31 -0.58 1.72 0.02 -1.50 -0.49 113.55 112.13 2ai6 h SER 105 Ca -0.02 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 2ai6 h SER 105 Cb 0.22 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2ai6 h SER 105 CO 0.03 -0.14 0.24 0.71 -1.14 0.00 0.00 176.83 176.53 2ai6 h THR 106 N -0.13 1.23 -0.18 -2.27 1.35 -1.03 0.65 112.91 112.51 2ai6 h THR 106 Ca 0.07 -0.70 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2ai6 h THR 106 Cb 0.23 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 2ai6 h THR 106 CO -0.16 0.27 0.08 -0.33 -0.25 0.00 0.00 175.52 175.13 2ai6 h GLU 107 N 0.80 0.27 -0.43 4.72 5.08 -0.99 0.19 114.58 124.22 2ai6 h GLU 107 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2ai6 h GLU 107 Cb 0.20 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2ai6 h GLU 107 CO -0.02 0.31 0.17 0.87 -1.00 0.00 0.00 179.01 179.34 2ai6 h LYS 108 N 0.16 0.65 0.11 2.33 1.79 -0.89 -1.34 116.57 119.39 2ai6 h LYS 108 Ca 0.06 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2ai6 h LYS 108 Cb 0.14 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2ai6 h LYS 108 CO -0.01 0.60 -0.06 0.82 -1.08 0.00 0.00 179.45 179.73 2ai6 h ILE 109 N 0.55 0.91 -0.63 1.86 2.04 -0.77 -0.65 117.51 120.82 2ai6 h ILE 109 Ca 0.14 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2ai6 h ILE 109 Cb 0.20 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2ai6 h ILE 109 CO -0.01 0.02 0.41 0.11 0.00 0.00 0.00 178.15 178.68 2ai6 h LYS 110 N -0.20 0.84 -0.04 2.37 1.57 -0.77 0.19 116.57 120.53 2ai6 h LYS 110 Ca -0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2ai6 h LYS 110 Cb 0.16 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2ai6 h LYS 110 CO 0.03 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.47 2ai6 h ALA 111 N 1.59 0.05 0.00 3.86 0.00 -1.00 -3.22 119.26 120.54 2ai6 h ALA 111 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ai6 h ALA 111 Cb -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2ai6 h ALA 111 CO -0.05 -0.29 0.00 0.87 0.00 0.00 0.00 179.25 179.79 2ai6 h LYS 112 N -0.21 0.00 -6.20 0.00 1.79 -0.51 -3.48 116.57 107.95 2ai6 h LYS 112 Ca 0.01 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.04 2ai6 h LYS 112 Cb 0.31 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2ai6 h LYS 112 CO 0.00 0.00 -0.84 0.98 -1.08 0.00 0.00 179.45 178.51 2ai6 n TYR 113 N -2.99 -1.84 0.39 -1.35 9.36 0.61 -4.90 117.16 116.44 2ai6 n TYR 113 Ca 0.02 0.82 0.13 0.00 3.32 0.00 0.00 57.90 62.19 2ai6 n TYR 113 Cb 0.40 -4.21 0.51 0.00 -0.63 0.00 0.00 39.34 35.42 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 -1.86 0.00 -4.15 2.98 0.13 -1.92 -3.45 132.00 123.73 2ai6 h PRO 114 Ca -0.62 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.36 2ai6 h PRO 114 Cb 1.36 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.37 2ai6 h PRO 114 CO 0.58 0.00 -0.39 0.34 -0.23 0.00 0.00 178.00 178.31 2ai6 s ASP 115 N -4.71 0.04 0.19 1.44 -1.08 -1.26 -4.85 116.67 106.44 2ai6 s ASP 115 Ca 0.05 -1.17 -0.07 0.00 -0.52 0.00 0.00 52.55 50.84 2ai6 s ASP 115 Cb 0.09 0.47 0.11 0.00 -1.46 0.00 0.00 42.92 42.14 2ai6 s ASP 115 CO 0.47 -0.98 1.60 1.88 0.52 0.00 0.00 175.17 178.67 2ai6 h TYR 116 N 2.46 1.01 -2.74 -5.34 0.05 -1.98 -3.47 116.97 106.95 2ai6 h TYR 116 Ca -0.31 -0.23 0.08 0.00 0.05 0.00 0.00 58.73 58.32 2ai6 h TYR 116 Cb 1.25 -0.24 -0.09 0.00 1.01 0.00 0.00 36.73 38.66 2ai6 h TYR 116 CO 0.37 1.00 0.32 -2.00 -1.05 0.00 0.00 178.16 176.81 2ai6 s GLU 117 N -4.67 1.40 0.19 4.88 2.12 -1.26 -5.04 118.70 116.32 2ai6 s GLU 117 Ca -0.10 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.46 2ai6 s GLU 117 Cb 0.13 0.53 -0.02 0.00 0.26 0.00 0.00 34.13 35.02 2ai6 s GLU 117 CO 0.85 -0.63 0.25 0.14 -0.54 0.00 0.00 175.26 175.32 2ai6 s VAL 118 N -3.62 0.04 0.21 3.70 -7.23 -1.26 -4.53 120.40 107.71 2ai6 s VAL 118 Ca 0.08 -1.66 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 2ai6 s VAL 118 Cb -0.03 -2.16 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2ai6 s VAL 118 CO -0.01 -0.17 0.20 0.42 -0.31 0.00 0.00 175.10 175.24 2ai6 s THR 119 N -4.05 0.00 0.21 5.32 -4.23 -1.20 -5.02 115.64 106.67 2ai6 s THR 119 Ca 0.26 -1.88 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2ai6 s THR 119 Cb 0.04 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2ai6 s THR 119 CO 0.06 0.00 0.19 -1.66 -0.54 0.00 0.00 174.62 172.67 2ai6 s TRP 120 N -4.12 0.99 -0.07 3.99 1.48 -1.26 -0.81 118.94 119.14 2ai6 s TRP 120 Ca 0.36 -1.25 -0.10 0.00 -1.06 0.00 0.00 56.10 54.04 2ai6 s TRP 120 Cb 0.05 -0.41 0.02 0.00 -1.16 0.00 0.00 33.47 31.97 2ai6 s TRP 120 CO 0.12 -0.70 0.26 0.00 -4.06 0.00 0.00 176.95 172.57 2ai6 s ALA 121 N -4.13 -0.65 -0.46 2.67 0.00 -1.16 -4.94 121.76 113.10 2ai6 s ALA 121 Ca 0.35 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2ai6 s ALA 121 Cb 0.06 -0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.01 2ai6 s ALA 121 CO 0.11 -0.17 0.88 -1.71 0.00 0.00 0.00 175.76 174.87 2ai6 n ASN 122 N 2.32 2.34 -2.76 0.00 4.05 -1.26 -4.36 115.26 115.59 2ai6 n ASN 122 Ca -0.16 -2.14 -0.11 0.00 0.45 0.00 0.00 54.58 52.62 2ai6 n ASN 122 Cb 0.57 -0.53 -0.00 0.00 1.23 0.00 0.00 39.78 41.05 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ai6 n ASP 123 N 0.20 -1.69 0.00 1.20 2.03 -1.26 -4.98 116.55 112.06 2ai6 n ASP 123 Ca 0.05 -2.63 0.00 0.00 0.52 0.00 0.00 54.79 52.73 2ai6 n ASP 123 Cb 0.50 2.94 0.00 0.00 -0.72 0.00 0.00 41.12 43.84 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 -0.52 1.79 0.00 0.27 0.00 -1.26 -1.23 105.19 104.25 2ai6 n GLY 124 Ca -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2ai6 n GLY 124 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30