#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 2.23 0.55 -5.12 0.00 -1.26 -5.01 121.76 113.15 2ai6 s ALA 2 Ca 0.00 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 2ai6 s ALA 2 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2ai6 s ALA 2 CO 0.00 -1.68 1.16 0.14 0.00 0.00 0.00 175.76 175.38 2ai6 s VAL 3 N -2.34 2.99 1.01 0.00 -7.23 -1.26 -5.04 120.40 108.53 2ai6 s VAL 3 Ca 0.68 0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 61.33 2ai6 s VAL 3 Cb -0.23 -3.26 0.20 0.00 0.56 0.00 0.00 36.38 33.65 2ai6 s VAL 3 CO 0.46 -0.12 1.22 0.00 -0.31 0.00 0.00 175.10 176.36 2ai6 s ALA 4 N -1.69 1.76 0.03 1.32 0.00 -1.26 -5.02 121.76 116.90 2ai6 s ALA 4 Ca 0.73 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 2ai6 s ALA 4 Cb -0.26 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2ai6 s ALA 4 CO 0.30 -2.66 0.29 0.34 0.00 0.00 0.00 175.76 174.02 2ai6 s ASP 5 N -4.46 -0.12 0.56 0.00 2.15 -1.26 -4.55 116.67 108.99 2ai6 s ASP 5 Ca 0.71 -0.14 0.25 0.00 0.43 0.00 0.00 52.55 53.80 2ai6 s ASP 5 Cb -0.08 0.33 1.52 0.00 -0.30 0.00 0.00 42.92 44.40 2ai6 s ASP 5 CO 0.54 -0.56 2.10 -0.07 -0.17 0.00 0.00 175.17 177.01 2ai6 h LEU 6 N 3.45 0.00 -2.05 -1.34 3.38 -1.98 -1.10 115.31 115.67 2ai6 h LEU 6 Ca -0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2ai6 h LEU 6 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 6 CO 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.91 2ai6 h ALA 7 N 1.82 1.16 0.00 1.53 0.00 -2.03 -2.74 119.26 119.00 2ai6 h ALA 7 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ai6 h ALA 7 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ai6 h ALA 7 CO -0.00 0.09 0.00 -0.07 0.00 0.00 0.00 179.25 179.26 2ai6 h LEU 8 N 0.00 0.00 -9.90 0.00 3.38 -1.62 -3.46 115.31 103.71 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 0.30 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.13 2ai6 h LEU 8 CO 0.01 0.00 0.68 -0.63 0.09 0.00 0.00 178.44 178.59 2ai6 s ILE 9 N -3.31 2.51 -0.24 1.22 1.01 -1.04 -4.92 121.20 116.42 2ai6 s ILE 9 Ca 0.06 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 60.93 2ai6 s ILE 9 Cb 0.06 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2ai6 s ILE 9 CO 0.63 0.12 2.05 -2.16 0.00 0.00 0.00 174.94 175.59 2ai6 s PRO 10 N -1.85 3.26 0.20 2.79 0.04 -1.26 -4.88 135.00 133.29 2ai6 s PRO 10 Ca 0.50 1.84 0.02 0.00 0.04 0.00 0.00 61.00 63.41 2ai6 s PRO 10 Cb -0.42 -4.30 0.11 0.00 0.04 0.00 0.00 34.50 29.94 2ai6 s PRO 10 CO 0.56 -1.95 1.47 0.22 0.04 0.00 0.00 177.00 177.33 2ai6 h ASP 11 N 14.03 0.32 -3.62 6.66 3.58 -1.93 -3.44 116.42 132.02 2ai6 h ASP 11 Ca -0.39 -0.22 -0.34 0.00 0.42 0.00 0.00 57.03 56.51 2ai6 h ASP 11 Cb 1.21 -0.10 -0.32 0.00 1.72 0.00 0.00 39.33 41.85 2ai6 h ASP 11 CO 0.98 0.94 -0.75 -0.69 -2.88 0.00 0.00 179.24 176.84 2ai6 s VAL 12 N -3.54 0.29 -0.29 2.25 1.01 -1.26 -2.01 120.40 116.86 2ai6 s VAL 12 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2ai6 s VAL 12 Cb 0.11 -0.33 0.17 0.00 0.00 0.00 0.00 36.38 36.34 2ai6 s VAL 12 CO 0.82 0.14 0.55 -0.62 0.00 0.00 0.00 175.10 175.99 2ai6 s ASP 13 N 0.60 -0.98 0.22 3.32 2.15 -0.92 -5.00 116.67 116.06 2ai6 s ASP 13 Ca -0.06 0.76 -0.06 0.00 0.43 0.00 0.00 52.55 53.62 2ai6 s ASP 13 Cb -0.10 1.92 -0.03 0.00 -0.30 0.00 0.00 42.92 44.42 2ai6 s ASP 13 CO -0.01 -0.27 0.27 0.27 -0.17 0.00 0.00 175.17 175.26 2ai6 s ILE 14 N 2.78 0.00 0.11 4.11 -4.36 -1.26 -3.61 121.20 118.98 2ai6 s ILE 14 Ca 0.18 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 2ai6 s ILE 14 Cb -0.15 -2.38 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 2ai6 s ILE 14 CO -0.20 -0.00 -0.09 -0.62 0.24 0.00 0.00 174.94 174.27 2ai6 s ASP 15 N -3.10 1.48 0.00 4.36 -1.08 -0.44 -4.98 116.67 112.90 2ai6 s ASP 15 Ca 0.32 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 2ai6 s ASP 15 Cb 0.04 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.53 2ai6 s ASP 15 CO 0.11 -0.34 0.41 -1.20 0.52 0.00 0.00 175.17 174.67 2ai6 n SER 16 N 0.13 0.00 0.30 -0.34 7.64 -1.26 -4.70 113.62 115.39 2ai6 n SER 16 Ca -0.13 -1.16 0.19 0.00 1.01 0.00 0.00 58.87 58.78 2ai6 n SER 16 Cb 0.60 -0.03 0.98 0.00 -1.01 0.00 0.00 64.21 64.74 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ai6 h ASP 17 N 0.00 0.00 -3.45 6.43 3.58 -1.97 -3.32 116.42 117.69 2ai6 h ASP 17 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 2ai6 h ASP 17 Cb 1.06 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.07 2ai6 h ASP 17 CO 0.00 0.00 -0.08 0.61 -2.88 0.00 0.00 179.24 176.89 2ai6 n GLY 18 N -1.22 2.16 3.63 -0.78 0.00 -1.26 -4.98 105.19 102.74 2ai6 n GLY 18 Ca -0.01 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.69 3.59 0.12 1.61 1.01 -1.26 -4.57 120.40 118.21 2ai6 s VAL 19 Ca 0.23 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2ai6 s VAL 19 Cb -0.01 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2ai6 s VAL 19 CO 0.16 -0.24 -0.09 -0.36 0.00 0.00 0.00 175.10 174.58 2ai6 s PHE 20 N 5.33 1.07 0.70 5.22 0.08 -0.51 -4.99 117.98 124.88 2ai6 s PHE 20 Ca 0.75 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 2ai6 s PHE 20 Cb -0.27 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.62 2ai6 s PHE 20 CO 0.30 -0.03 1.08 0.15 -0.10 0.00 0.00 175.22 176.63 2ai6 s LYS 21 N -3.57 2.87 0.17 0.44 -0.14 -1.26 -0.74 119.74 117.51 2ai6 s LYS 21 Ca 0.12 0.58 -0.04 0.00 -1.36 0.00 0.00 55.97 55.27 2ai6 s LYS 21 Cb 0.02 -2.01 -0.03 0.00 -1.68 0.00 0.00 37.83 34.13 2ai6 s LYS 21 CO -0.02 -1.05 0.18 -0.47 -0.76 0.00 0.00 175.35 173.23 2ai6 s TYR 22 N -3.27 0.74 0.05 3.18 6.14 -0.27 -2.95 117.35 120.97 2ai6 s TYR 22 Ca 0.58 -1.08 -0.08 0.00 0.64 0.00 0.00 57.07 57.14 2ai6 s TYR 22 Cb -0.12 -0.31 -0.00 0.00 0.42 0.00 0.00 41.96 41.95 2ai6 s TYR 22 CO 0.53 -0.65 0.15 0.54 0.64 0.00 0.00 175.55 176.76 2ai6 s VAL 23 N -4.04 0.13 -0.22 3.14 0.11 -0.38 -2.48 120.40 116.65 2ai6 s VAL 23 Ca 0.25 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 2ai6 s VAL 23 Cb 0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2ai6 s VAL 23 CO 0.04 -0.58 -0.14 -0.22 -3.33 0.00 0.00 175.10 170.88 2ai6 s LEU 24 N -2.25 2.71 -0.09 2.54 2.96 -0.66 -2.61 118.68 121.27 2ai6 s LEU 24 Ca -0.03 -0.86 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2ai6 s LEU 24 Cb 0.00 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.15 2ai6 s LEU 24 CO -0.05 -0.07 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.23 2ai6 s ILE 25 N 1.27 1.48 0.42 6.68 -1.16 -0.89 -0.60 121.20 128.39 2ai6 s ILE 25 Ca 0.01 -0.66 -0.22 0.00 -0.51 0.00 0.00 60.65 59.26 2ai6 s ILE 25 Cb -0.15 -1.33 -0.10 0.00 0.61 0.00 0.00 42.46 41.49 2ai6 s ILE 25 CO -0.09 0.43 0.98 -0.60 -2.81 0.00 0.00 174.94 172.86 2ai6 s ARG 26 N 0.69 4.20 -0.01 3.50 3.52 0.48 -0.66 118.95 130.67 2ai6 s ARG 26 Ca -0.13 1.26 0.04 0.00 -0.13 0.00 0.00 55.73 56.77 2ai6 s ARG 26 Cb -0.16 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2ai6 s ARG 26 CO 0.03 -0.07 -0.14 0.08 -0.81 0.00 0.00 175.30 174.39 2ai6 s VAL 27 N -1.97 1.11 0.03 7.11 1.01 0.21 -1.88 120.40 126.02 2ai6 s VAL 27 Ca 0.60 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2ai6 s VAL 27 Cb -0.14 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2ai6 s VAL 27 CO 0.18 0.32 -0.01 -1.00 0.00 0.00 0.00 175.10 174.59 2ai6 s HIS 28 N -0.27 3.01 -0.93 5.22 0.09 -0.34 -2.03 115.29 120.05 2ai6 s HIS 28 Ca 0.04 0.02 -0.25 0.00 -0.00 0.00 0.00 55.06 54.88 2ai6 s HIS 28 Cb -0.06 -1.61 -0.06 0.00 -0.00 0.00 0.00 32.58 30.85 2ai6 s HIS 28 CO -0.00 0.46 2.00 -1.12 -0.00 0.00 0.00 174.74 176.07 2ai6 s SER 29 N -1.82 4.97 -0.00 1.40 0.01 -0.17 -3.94 113.70 114.14 2ai6 s SER 29 Ca 0.22 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2ai6 s SER 29 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ai6 s SER 29 CO 0.13 -2.93 0.82 0.00 0.41 0.00 0.00 173.24 171.67 2ai6 n ALA 30 N 14.60 1.64 -1.51 1.44 0.00 -1.26 -4.60 120.51 130.82 2ai6 n ALA 30 Ca 0.41 -0.83 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 2ai6 n ALA 30 Cb 0.46 -0.32 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.01 0.85 -2.73 0.00 -0.02 -1.26 -1.27 135.00 130.55 2ai6 n PRO 31 Ca 0.00 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.72 2ai6 n PRO 31 Cb 0.63 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.56 -2.71 -2.30 -0.52 1.74 0.54 -2.33 116.66 111.65 2ai6 n ARG 32 Ca 0.11 0.08 -0.13 0.00 -0.77 0.00 0.00 57.85 57.14 2ai6 n ARG 32 Cb 0.36 -4.60 -0.01 0.00 -1.02 0.00 0.00 32.46 27.19 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 -1.65 -3.97 -0.37 0.55 7.64 -0.40 -4.71 113.62 110.71 2ai6 n SER 33 Ca -0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2ai6 n SER 33 Cb 0.51 -3.41 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 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 -0.74 0.78 3.58 0.23 0.00 -0.98 -5.09 105.19 102.96 2ai6 n GLY 34 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2ai6 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 n ALA 35 N 0.00 -0.15 1.45 4.61 0.00 -1.08 -4.87 120.51 120.47 2ai6 n ALA 35 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2ai6 n ALA 35 Cb 0.39 -2.03 0.40 0.00 0.00 0.00 0.00 19.45 18.21 2ai6 n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ai6 n PRO 36 N -0.13 0.72 -3.44 0.00 -0.04 -1.26 -4.84 135.00 126.02 2ai6 n PRO 36 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 2ai6 n PRO 36 Cb 0.42 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.79 -0.64 -2.27 0.55 0.00 -1.26 -5.06 120.51 111.04 2ai6 n ALA 37 Ca 0.10 -1.23 -0.11 0.00 0.00 0.00 0.00 53.44 52.20 2ai6 n ALA 37 Cb 0.05 0.99 0.05 0.00 0.00 0.00 0.00 19.45 20.53 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 -1.10 3.89 -1.05 0.00 0.00 -1.26 -4.66 120.51 116.33 2ai6 n ALA 38 Ca -0.12 -3.30 -0.29 0.00 0.00 0.00 0.00 53.44 49.73 2ai6 n ALA 38 Cb 0.48 -0.53 0.16 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.37 0.80 0.04 0.00 0.41 -1.26 -4.70 118.70 110.61 2ai6 s GLU 39 Ca 0.41 0.86 -0.01 0.00 -0.41 0.00 0.00 54.97 55.81 2ai6 s GLU 39 Cb 0.38 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.94 2ai6 s GLU 39 CO -0.01 -2.57 -0.01 -1.12 -0.49 0.00 0.00 175.26 171.06 2ai6 s SER 40 N -3.21 0.36 0.21 -0.19 0.01 -1.26 -1.00 113.70 108.61 2ai6 s SER 40 Ca 0.65 -0.77 -0.15 0.00 1.31 0.00 0.00 55.95 56.99 2ai6 s SER 40 Cb -0.20 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2ai6 s SER 40 CO 0.58 -0.49 0.47 -1.59 0.41 0.00 0.00 173.24 172.63 2ai6 s LYS 41 N -2.92 1.41 0.19 12.44 0.00 -0.86 -4.99 119.74 125.01 2ai6 s LYS 41 Ca -0.02 -1.04 0.07 0.00 0.00 0.00 0.00 55.97 54.97 2ai6 s LYS 41 Cb 0.01 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.28 2ai6 s LYS 41 CO -0.06 -0.58 0.08 -1.21 0.00 0.00 0.00 175.35 173.58 2ai6 s GLU 42 N -3.93 2.66 0.11 1.78 8.01 -1.26 -0.62 118.70 125.45 2ai6 s GLU 42 Ca 0.14 -1.05 0.05 0.00 0.01 0.00 0.00 54.97 54.12 2ai6 s GLU 42 Cb -0.00 -2.47 -0.04 0.00 -4.31 0.00 0.00 34.13 27.31 2ai6 s GLU 42 CO 0.02 0.45 -0.13 0.96 0.01 0.00 0.00 175.26 176.57 2ai6 s ILE 43 N -1.87 1.17 -0.20 -1.63 -4.36 0.16 -4.96 121.20 109.50 2ai6 s ILE 43 Ca 0.30 -1.67 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 2ai6 s ILE 43 Cb -0.09 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.19 2ai6 s ILE 43 CO 0.22 -0.46 -0.12 -0.69 0.24 0.00 0.00 174.94 174.13 2ai6 s VAL 44 N -2.21 2.75 0.05 8.37 1.01 -0.85 -2.10 120.40 127.41 2ai6 s VAL 44 Ca 0.07 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2ai6 s VAL 44 Cb -0.04 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 2ai6 s VAL 44 CO 0.02 0.47 -0.12 -0.13 0.00 0.00 0.00 175.10 175.34 2ai6 s ARG 45 N 1.39 0.76 0.00 2.72 1.81 -1.07 -2.16 118.95 122.40 2ai6 s ARG 45 Ca 0.05 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2ai6 s ARG 45 Cb -0.14 -0.72 0.00 0.00 -0.45 0.00 0.00 34.95 33.65 2ai6 s ARG 45 CO -0.08 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.12 2ai6 n GLY 46 N 1.69 1.24 3.34 -3.53 0.00 -1.24 -1.25 105.19 105.43 2ai6 n GLY 46 Ca -0.20 0.40 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 0.03 0.23 1.61 1.51 -1.15 -1.33 117.35 118.24 2ai6 s TYR 47 Ca 0.00 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2ai6 s TYR 47 Cb 0.00 0.14 0.34 0.00 -0.11 0.00 0.00 41.96 42.33 2ai6 s TYR 47 CO 0.00 -0.71 1.80 -0.22 -1.11 0.00 0.00 175.55 175.30 2ai6 h LYS 48 N 2.46 0.67 0.00 -0.62 3.64 -1.91 -2.76 116.57 118.06 2ai6 h LYS 48 Ca -0.32 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 2ai6 h LYS 48 Cb 1.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2ai6 h LYS 48 CO 0.47 0.45 -0.25 0.11 -2.27 0.00 0.00 179.45 177.96 2ai6 h TRP 49 N 0.69 0.00 -1.65 1.91 5.08 -1.98 -3.31 115.95 116.70 2ai6 h TRP 49 Ca 0.36 0.00 -0.67 0.00 1.08 0.00 0.00 58.89 59.66 2ai6 h TRP 49 Cb 0.33 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.36 2ai6 h TRP 49 CO -0.08 0.25 1.40 0.00 -1.28 0.00 0.00 178.44 178.73 2ai6 s ALA 50 N -4.14 3.24 -0.39 0.11 0.00 -1.04 -4.80 121.76 114.75 2ai6 s ALA 50 Ca -0.02 -2.72 0.21 0.00 0.00 0.00 0.00 51.96 49.42 2ai6 s ALA 50 Cb 0.13 -4.33 1.01 0.00 0.00 0.00 0.00 23.12 19.93 2ai6 s ALA 50 CO 0.66 -3.22 1.64 0.39 0.00 0.00 0.00 175.76 175.23 2ai6 n GLU 51 N 7.53 0.15 -3.88 0.00 1.02 -1.25 -4.06 120.64 120.14 2ai6 n GLU 51 Ca 0.34 0.53 -0.11 0.00 -0.02 0.00 0.00 57.16 57.89 2ai6 n GLU 51 Cb 0.48 -1.88 -0.12 0.00 -0.02 0.00 0.00 31.44 29.90 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 -3.41 0.02 0.45 -0.32 1.13 -1.26 -4.84 117.35 109.12 2ai6 s TYR 52 Ca 0.01 -0.03 0.12 0.00 -1.41 0.00 0.00 57.07 55.76 2ai6 s TYR 52 Cb 0.07 -0.04 1.03 0.00 -1.10 0.00 0.00 41.96 41.92 2ai6 s TYR 52 CO 0.27 -0.13 2.04 0.45 -2.51 0.00 0.00 175.55 175.66 2ai6 h HIS 53 N 5.32 0.37 0.00 -3.49 3.86 -1.84 -1.04 115.15 118.32 2ai6 h HIS 53 Ca -0.28 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2ai6 h HIS 53 Cb 1.20 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2ai6 h HIS 53 CO 0.51 0.20 -0.11 0.00 0.86 0.00 0.00 177.93 179.39 2ai6 h ALA 54 N 1.76 1.72 -0.04 2.45 0.00 -1.97 -1.66 119.26 121.53 2ai6 h ALA 54 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2ai6 h ALA 54 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ai6 h ALA 54 CO -0.04 0.13 -0.01 0.22 0.00 0.00 0.00 179.25 179.55 2ai6 h ASP 55 N 0.00 0.08 -0.64 0.00 3.58 -1.57 -0.92 116.42 116.95 2ai6 h ASP 55 Ca -0.00 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.00 2ai6 h ASP 55 Cb 0.20 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 2ai6 h ASP 55 CO 0.01 0.44 0.13 0.16 -2.88 0.00 0.00 179.24 177.11 2ai6 h ILE 56 N -0.28 1.26 -0.19 2.25 3.07 -1.62 -0.42 117.51 121.57 2ai6 h ILE 56 Ca 0.01 -0.98 -0.00 0.00 1.55 0.00 0.00 64.86 65.44 2ai6 h ILE 56 Cb 0.41 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 37.60 2ai6 h ILE 56 CO 0.00 0.37 0.12 0.22 -1.05 0.00 0.00 178.15 177.81 2ai6 h TYR 57 N 0.97 0.24 -0.19 0.16 3.20 -1.23 -0.45 116.97 119.67 2ai6 h TYR 57 Ca 0.20 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2ai6 h TYR 57 Cb 0.40 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2ai6 h TYR 57 CO 0.03 0.18 0.00 0.22 -1.64 0.00 0.00 178.16 176.96 2ai6 h ASP 58 N 0.23 0.33 0.06 -2.11 3.58 -1.01 -0.04 116.42 117.47 2ai6 h ASP 58 Ca 0.07 -0.30 0.03 0.00 0.42 0.00 0.00 57.03 57.24 2ai6 h ASP 58 Cb 0.01 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.92 2ai6 h ASP 58 CO -0.01 0.55 -0.36 0.50 -2.88 0.00 0.00 179.24 177.04 2ai6 h LYS 59 N 0.10 -0.53 0.09 0.28 1.63 -0.99 -1.16 116.57 116.00 2ai6 h LYS 59 Ca 0.06 0.04 -0.26 0.00 -0.85 0.00 0.00 60.65 59.63 2ai6 h LYS 59 Cb 0.38 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.14 2ai6 h LYS 59 CO 0.01 -0.35 -1.16 0.28 -3.45 0.00 0.00 179.45 174.78 2ai6 h VAL 60 N -0.55 1.44 -0.14 2.00 2.07 -1.06 -2.60 116.25 117.42 2ai6 h VAL 60 Ca 0.04 -2.80 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 2ai6 h VAL 60 Cb 0.61 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 2ai6 h VAL 60 CO -0.25 0.83 -0.03 0.28 0.02 0.00 0.00 177.57 178.42 2ai6 h SER 61 N 0.14 0.19 -0.26 0.57 0.02 -0.97 0.71 113.55 113.95 2ai6 h SER 61 Ca -0.13 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2ai6 h SER 61 Cb 1.85 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.32 2ai6 h SER 61 CO 0.20 0.25 0.12 1.23 -1.14 0.00 0.00 176.83 177.49 2ai6 h GLY 62 N 0.50 0.34 0.90 -3.77 0.00 -0.87 0.91 103.07 101.07 2ai6 h GLY 62 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2ai6 h GLY 62 CO 0.01 0.07 0.09 -1.80 0.00 0.00 0.00 176.54 174.90 2ai6 h ASP 63 N 0.26 0.41 -0.73 0.19 1.82 -0.92 -0.82 116.42 116.63 2ai6 h ASP 63 Ca 0.11 -0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2ai6 h ASP 63 Cb 0.04 -0.11 -0.04 0.00 0.68 0.00 0.00 39.33 39.90 2ai6 h ASP 63 CO -0.08 0.51 0.48 0.24 -1.61 0.00 0.00 179.24 178.77 2ai6 h MET 64 N 0.29 0.93 -0.13 0.28 2.86 -0.76 -0.53 114.93 117.88 2ai6 h MET 64 Ca 0.09 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2ai6 h MET 64 Cb 0.24 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2ai6 h MET 64 CO -0.00 0.62 -0.34 1.96 1.06 0.00 0.00 176.91 180.21 2ai6 h GLN 65 N 0.96 0.26 -0.70 1.72 4.20 -0.64 0.11 115.11 121.02 2ai6 h GLN 65 Ca 0.28 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2ai6 h GLN 65 Cb -0.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2ai6 h GLN 65 CO -0.07 0.58 0.21 -0.22 -0.67 0.00 0.00 178.83 178.65 2ai6 h LYS 66 N 0.23 1.10 -0.28 1.46 3.64 -0.48 -1.90 116.57 120.34 2ai6 h LYS 66 Ca 0.03 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2ai6 h LYS 66 Cb 0.71 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2ai6 h LYS 66 CO 0.05 0.95 0.06 1.96 -2.27 0.00 0.00 179.45 180.21 2ai6 h GLN 67 N 1.04 0.41 0.00 1.90 4.20 -0.33 -3.47 115.11 118.86 2ai6 h GLN 67 Ca 0.23 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2ai6 h GLN 67 Cb 0.32 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ai6 h GLN 67 CO -0.00 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 2ai6 n GLY 68 N -1.14 0.36 3.50 3.46 0.00 0.19 -0.34 105.19 111.23 2ai6 n GLY 68 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.54 1.80 0.16 0.00 2.15 -1.25 -4.18 116.67 110.79 2ai6 s ASP 70 Ca 0.71 -0.67 -0.09 0.00 0.43 0.00 0.00 52.55 52.94 2ai6 s ASP 70 Cb -0.06 -0.06 -0.01 0.00 -0.30 0.00 0.00 42.92 42.49 2ai6 s ASP 70 CO 0.54 -0.09 0.27 0.00 -0.17 0.00 0.00 175.17 175.72 2ai6 s GLU 72 N -3.97 0.51 -0.28 0.00 2.12 -0.79 -4.99 118.70 111.31 2ai6 s GLU 72 Ca 0.17 0.97 -0.29 0.00 0.36 0.00 0.00 54.97 56.18 2ai6 s GLU 72 Cb 0.04 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 2ai6 s GLU 72 CO -0.00 -0.16 1.54 0.00 -0.54 0.00 0.00 175.26 176.09 2ai6 h LEU 74 N 11.85 0.00 0.00 0.00 3.38 -1.22 -3.48 115.31 125.84 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 1.03 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.56 2ai6 n GLY 75 N -0.37 -1.48 2.53 0.83 0.00 -1.22 -4.69 105.19 100.78 2ai6 n GLY 75 Ca -0.02 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.14 2.16 0.00 -0.02 0.00 -0.65 -1.66 105.19 104.88 2ai6 n GLY 76 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.42 -0.67 3.24 -0.02 0.00 -1.04 -1.96 105.19 104.33 2ai6 n GLY 77 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 2ai6 n GLY 77 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ai6 s ARG 78 N -0.01 1.20 0.01 1.61 1.70 0.27 -1.11 118.95 122.62 2ai6 s ARG 78 Ca 0.00 -1.61 0.02 0.00 -0.47 0.00 0.00 55.73 53.66 2ai6 s ARG 78 Cb 0.00 -0.09 -0.01 0.00 -0.57 0.00 0.00 34.95 34.28 2ai6 s ARG 78 CO 0.00 -0.25 -0.05 0.42 -1.08 0.00 0.00 175.30 174.34 2ai6 s ILE 79 N -3.84 0.41 0.14 4.99 1.01 0.08 -1.37 121.20 122.61 2ai6 s ILE 79 Ca 0.31 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 2ai6 s ILE 79 Cb 0.07 -0.38 0.01 0.00 0.01 0.00 0.00 42.46 42.16 2ai6 s ILE 79 CO 0.08 -0.02 0.31 -0.44 0.00 0.00 0.00 174.94 174.86 2ai6 s SER 80 N -0.49 -0.02 -0.22 3.58 0.01 -1.01 -1.43 113.70 114.13 2ai6 s SER 80 Ca -0.01 -0.65 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 2ai6 s SER 80 Cb -0.04 0.43 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 2ai6 s SER 80 CO -0.00 -0.85 0.12 -2.28 0.41 0.00 0.00 173.24 170.63 2ai6 s HIS 81 N -3.89 3.29 0.92 2.43 2.46 -1.25 -1.08 115.29 118.17 2ai6 s HIS 81 Ca 0.10 0.14 -0.13 0.00 0.47 0.00 0.00 55.06 55.64 2ai6 s HIS 81 Cb 0.03 -2.19 0.15 0.00 -0.13 0.00 0.00 32.58 30.44 2ai6 s HIS 81 CO -0.06 0.10 1.16 -0.65 -2.47 0.00 0.00 174.74 172.82 2ai6 s GLN 82 N 0.76 1.03 0.00 2.88 -0.21 0.18 -4.98 119.66 119.34 2ai6 s GLN 82 Ca 0.06 0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.59 2ai6 s GLN 82 Cb -0.13 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.04 2ai6 s GLN 82 CO 0.02 -2.24 0.00 0.43 -2.12 0.00 0.00 175.29 171.38 2ai6 n SER 83 N -3.77 3.54 0.26 5.90 7.64 -1.26 -4.41 113.62 121.53 2ai6 n SER 83 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.06 2ai6 n SER 83 Cb 0.60 0.41 0.70 0.00 -1.01 0.00 0.00 64.21 64.91 2ai6 n SER 83 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2ai6 h GLN 84 N 0.00 0.00 -3.50 1.43 3.07 -1.97 -3.42 115.11 110.72 2ai6 h GLN 84 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 2ai6 h GLN 84 Cb 0.60 0.00 -0.19 0.00 0.08 0.00 0.00 27.48 27.97 2ai6 h GLN 84 CO 0.00 0.06 -0.43 0.34 0.09 0.00 0.00 178.83 178.89 2ai6 s ASP 85 N -6.65 0.02 -1.28 0.06 -1.08 -1.26 -5.08 116.67 101.39 2ai6 s ASP 85 Ca -0.04 -0.27 -0.06 0.00 -0.52 0.00 0.00 52.55 51.66 2ai6 s ASP 85 Cb 0.16 0.25 0.15 0.00 -1.46 0.00 0.00 42.92 42.02 2ai6 s ASP 85 CO 0.63 -0.47 2.22 0.29 0.52 0.00 0.00 175.17 178.36 2ai6 n LYS 86 N 1.05 4.50 -4.08 4.34 4.76 -1.26 -4.33 118.16 123.14 2ai6 n LYS 86 Ca -0.21 -3.61 -0.11 0.00 -2.87 0.00 0.00 58.31 51.51 2ai6 n LYS 86 Cb 0.57 -2.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.03 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 -1.21 1.46 0.74 1.97 -2.85 -1.26 -4.80 119.74 113.79 2ai6 s LYS 87 Ca 0.49 -1.43 -0.11 0.00 -1.00 0.00 0.00 55.97 53.93 2ai6 s LYS 87 Cb 0.16 0.40 0.04 0.00 -2.06 0.00 0.00 37.83 36.38 2ai6 s LYS 87 CO -0.07 -0.57 1.12 0.42 0.10 0.00 0.00 175.35 176.35 2ai6 s ILE 88 N -3.98 2.85 0.00 3.79 -1.09 -0.95 -0.64 121.20 121.18 2ai6 s ILE 88 Ca 0.29 0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.90 2ai6 s ILE 88 Cb 0.02 -3.27 -0.00 0.00 -1.58 0.00 0.00 42.46 37.63 2ai6 s ILE 88 CO 0.11 -0.35 0.10 -2.28 -1.23 0.00 0.00 174.94 171.29 2ai6 s HIS 89 N -3.43 0.08 -0.08 3.97 2.46 -0.24 -2.51 115.29 115.53 2ai6 s HIS 89 Ca 0.60 -0.20 -0.01 0.00 0.47 0.00 0.00 55.06 55.92 2ai6 s HIS 89 Cb -0.11 -0.07 0.03 0.00 -0.13 0.00 0.00 32.58 32.29 2ai6 s HIS 89 CO 0.50 -0.25 -0.03 0.08 -2.47 0.00 0.00 174.74 172.57 2ai6 s VAL 90 N -1.31 0.63 0.21 0.89 1.01 -0.57 -2.42 120.40 118.84 2ai6 s VAL 90 Ca -0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2ai6 s VAL 90 Cb -0.08 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2ai6 s VAL 90 CO 0.01 0.29 0.41 0.00 0.00 0.00 0.00 175.10 175.81 2ai6 n TYR 91 N 4.85 -1.71 -1.80 5.22 4.11 -0.47 -2.60 117.16 124.77 2ai6 n TYR 91 Ca -0.12 -0.98 0.00 0.00 -0.00 0.00 0.00 57.90 56.79 2ai6 n TYR 91 Cb 0.50 0.48 0.00 0.00 -0.00 0.00 0.00 39.34 40.33 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 -0.28 -1.81 2.95 -7.48 0.00 -0.60 -0.56 105.19 97.41 2ai6 n GLY 92 Ca -0.05 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 2ai6 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ai6 s TYR 93 N 0.00 0.33 0.50 1.61 1.51 -1.26 -4.70 117.35 115.35 2ai6 s TYR 93 Ca 0.00 -0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 55.65 2ai6 s TYR 93 Cb 0.00 -0.21 -0.06 0.00 -0.11 0.00 0.00 41.96 41.58 2ai6 s TYR 93 CO 0.00 -0.04 1.25 0.45 -1.11 0.00 0.00 175.55 176.10 2ai6 s SER 94 N -0.52 5.72 0.15 2.29 0.15 -0.83 -4.51 113.70 116.15 2ai6 s SER 94 Ca -0.03 2.52 0.22 0.00 0.70 0.00 0.00 55.95 59.36 2ai6 s SER 94 Cb -0.04 -2.62 0.88 0.00 -1.71 0.00 0.00 66.02 62.54 2ai6 s SER 94 CO -0.00 -1.24 1.68 1.15 1.20 0.00 0.00 173.24 176.03 2ai6 n MET 95 N -0.78 0.13 0.00 5.44 0.00 -1.26 -4.15 117.12 116.50 2ai6 n MET 95 Ca 0.09 0.29 0.00 0.00 0.00 0.00 0.00 57.70 58.08 2ai6 n MET 95 Cb 0.47 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.97 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 -1.67 0.83 -4.11 3.17 0.00 -1.26 -5.10 120.51 112.37 2ai6 n ALA 96 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2ai6 n ALA 96 Cb 0.26 0.00 -0.06 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 -0.51 -0.21 -1.27 0.00 4.01 -1.26 -5.11 117.16 112.81 2ai6 n TYR 97 Ca 0.00 -2.05 -0.29 0.00 -0.16 0.00 0.00 57.90 55.40 2ai6 n TYR 97 Cb 0.00 0.10 0.19 0.00 -0.31 0.00 0.00 39.34 39.32 2ai6 n TYR 97 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2ai6 s GLY 98 N -2.84 1.59 0.33 2.72 0.00 -1.26 -4.04 107.32 103.81 2ai6 s GLY 98 Ca 0.22 -0.68 -0.29 0.00 0.00 0.00 0.00 44.72 43.97 2ai6 s GLY 98 CO 0.16 0.03 1.35 2.56 0.00 0.00 0.00 173.10 177.20 2ai6 s PRO 99 N -5.26 4.31 0.87 2.90 0.04 -1.26 -1.64 135.00 134.96 2ai6 s PRO 99 Ca 0.68 2.27 -0.11 0.00 0.04 0.00 0.00 61.00 63.87 2ai6 s PRO 99 Cb -0.13 -3.06 0.11 0.00 0.04 0.00 0.00 34.50 31.45 2ai6 s PRO 99 CO 0.56 -0.26 1.09 0.00 0.04 0.00 0.00 177.00 178.43 2ai6 s ALA 100 N -0.98 1.75 -1.39 8.56 0.00 -0.94 -4.54 121.76 124.22 2ai6 s ALA 100 Ca 0.51 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 2ai6 s ALA 100 Cb -0.41 -3.18 0.06 0.00 0.00 0.00 0.00 23.12 19.59 2ai6 s ALA 100 CO 0.53 -2.17 2.02 1.04 0.00 0.00 0.00 175.76 177.18 2ai6 n GLN 101 N -3.76 3.01 0.32 0.00 6.02 -1.26 -4.81 117.38 116.91 2ai6 n GLN 101 Ca 0.07 -2.90 0.19 0.00 -0.01 0.00 0.00 57.00 54.34 2ai6 n GLN 101 Cb 0.55 -3.36 0.99 0.00 1.02 0.00 0.00 30.24 29.44 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 6.62 0.00 -0.99 1.08 3.86 -1.93 0.57 115.15 124.36 2ai6 h HIS 102 Ca 0.52 0.00 0.17 0.00 -1.16 0.00 0.00 60.37 59.89 2ai6 h HIS 102 Cb 0.73 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.11 2ai6 h HIS 102 CO 1.44 0.00 0.62 0.00 0.86 0.00 0.00 177.93 180.84 2ai6 h ALA 103 N 1.65 1.68 -0.50 2.45 0.00 -1.94 -1.46 119.26 121.12 2ai6 h ALA 103 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ai6 h ALA 103 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ai6 h ALA 103 CO -0.00 -0.00 0.22 0.82 0.00 0.00 0.00 179.25 180.29 2ai6 h ILE 104 N 0.80 1.20 0.05 0.00 1.08 -1.29 -1.23 117.51 118.13 2ai6 h ILE 104 Ca 0.54 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 2ai6 h ILE 104 Cb 0.79 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 2ai6 h ILE 104 CO -0.32 0.23 -0.04 0.28 -0.69 0.00 0.00 178.15 177.61 2ai6 h SER 105 N 0.67 -0.12 -0.64 1.72 0.02 -1.41 -0.38 113.55 113.41 2ai6 h SER 105 Ca 0.17 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.18 2ai6 h SER 105 Cb 0.16 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 2ai6 h SER 105 CO -0.02 -0.07 0.35 0.71 -1.14 0.00 0.00 176.83 176.66 2ai6 h THR 106 N -0.10 0.98 0.06 -2.27 1.35 -1.16 0.73 112.91 112.49 2ai6 h THR 106 Ca 0.00 -0.23 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 2ai6 h THR 106 Cb 0.10 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 2ai6 h THR 106 CO -0.01 0.12 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.02 2ai6 h GLU 107 N 0.66 -0.07 -0.26 4.72 5.08 -0.89 -1.09 114.58 122.73 2ai6 h GLU 107 Ca 0.28 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 2ai6 h GLU 107 Cb 0.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ai6 h GLU 107 CO -0.17 0.03 -0.28 0.87 -1.00 0.00 0.00 179.01 178.46 2ai6 h LYS 108 N -0.16 0.65 -0.28 2.33 1.57 -0.81 -1.53 116.57 118.34 2ai6 h LYS 108 Ca -0.01 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2ai6 h LYS 108 Cb 0.14 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2ai6 h LYS 108 CO 0.01 0.96 0.13 0.82 -0.57 0.00 0.00 179.45 180.80 2ai6 h ILE 109 N 0.37 1.15 -0.21 1.86 2.04 -0.87 -1.20 117.51 120.65 2ai6 h ILE 109 Ca 0.04 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2ai6 h ILE 109 Cb 0.85 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 2ai6 h ILE 109 CO 0.07 0.15 -0.07 0.11 0.00 0.00 0.00 178.15 178.41 2ai6 h LYS 110 N 0.31 0.33 -0.59 2.37 1.57 -1.12 0.12 116.57 119.56 2ai6 h LYS 110 Ca 0.09 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 2ai6 h LYS 110 Cb 0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2ai6 h LYS 110 CO -0.01 0.42 0.10 0.00 -0.57 0.00 0.00 179.45 179.39 2ai6 h ALA 111 N 1.62 0.79 0.00 3.86 0.00 -0.83 -3.26 119.26 121.44 2ai6 h ALA 111 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ai6 h ALA 111 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ai6 h ALA 111 CO 0.02 0.54 -0.69 0.87 0.00 0.00 0.00 179.25 179.98 2ai6 h LYS 112 N 0.88 0.00 -6.85 0.00 6.56 -0.56 -3.49 116.57 113.11 2ai6 h LYS 112 Ca 0.18 0.00 -0.58 0.00 -1.06 0.00 0.00 60.65 59.19 2ai6 h LYS 112 Cb 0.41 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.04 2ai6 h LYS 112 CO 0.01 0.00 -0.99 0.66 -2.06 0.00 0.00 179.45 177.07 2ai6 n TYR 113 N -2.81 -1.44 0.39 -1.35 4.01 0.37 -4.89 117.16 111.44 2ai6 n TYR 113 Ca 0.01 0.23 0.13 0.00 -0.16 0.00 0.00 57.90 58.11 2ai6 n TYR 113 Cb 0.54 -2.92 0.52 0.00 -0.31 0.00 0.00 39.34 37.18 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ai6 h PRO 114 N -2.38 0.00 -4.41 -0.72 0.13 -1.94 -3.45 132.00 119.23 2ai6 h PRO 114 Ca -0.70 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.10 2ai6 h PRO 114 Cb 1.40 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.43 2ai6 h PRO 114 CO 0.55 0.00 -0.32 0.34 -0.23 0.00 0.00 178.00 178.34 2ai6 s ASP 115 N -4.58 1.09 0.10 1.44 2.15 -1.26 -5.09 116.67 110.52 2ai6 s ASP 115 Ca 0.04 -1.56 -0.18 0.00 0.43 0.00 0.00 52.55 51.28 2ai6 s ASP 115 Cb 0.09 0.60 -0.06 0.00 -0.30 0.00 0.00 42.92 43.25 2ai6 s ASP 115 CO 0.44 -1.18 1.61 0.22 -0.17 0.00 0.00 175.17 176.10 2ai6 h TYR 116 N 2.16 0.43 -2.91 -5.34 3.20 -1.88 -3.48 116.97 109.16 2ai6 h TYR 116 Ca -0.28 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 61.57 2ai6 h TYR 116 Cb 1.24 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2ai6 h TYR 116 CO 1.45 0.47 0.32 -2.00 -1.64 0.00 0.00 178.16 176.76 2ai6 s GLU 117 N -5.40 2.02 0.18 1.82 2.12 -1.26 -5.01 118.70 113.18 2ai6 s GLU 117 Ca -0.13 -1.28 -0.20 0.00 0.36 0.00 0.00 54.97 53.71 2ai6 s GLU 117 Cb 0.08 0.58 0.05 0.00 0.26 0.00 0.00 34.13 35.10 2ai6 s GLU 117 CO 0.73 -0.95 0.57 0.54 -0.54 0.00 0.00 175.26 175.61 2ai6 s VAL 118 N -2.46 0.02 0.27 3.70 0.11 -1.26 -2.24 120.40 118.52 2ai6 s VAL 118 Ca 0.16 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2ai6 s VAL 118 Cb -0.05 -1.29 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 2ai6 s VAL 118 CO 0.10 -0.07 0.29 0.42 -3.33 0.00 0.00 175.10 172.50 2ai6 s THR 119 N -3.81 0.00 0.17 5.04 -4.23 -1.04 -4.93 115.64 106.84 2ai6 s THR 119 Ca 0.04 -1.83 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 2ai6 s THR 119 Cb -0.01 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2ai6 s THR 119 CO -0.08 0.00 0.07 -1.66 -0.54 0.00 0.00 174.62 172.41 2ai6 s TRP 120 N -3.75 1.05 -0.08 3.99 1.48 -1.26 -1.52 118.94 118.85 2ai6 s TRP 120 Ca 0.35 -1.23 -0.12 0.00 -1.06 0.00 0.00 56.10 54.03 2ai6 s TRP 120 Cb 0.03 -0.57 0.03 0.00 -1.16 0.00 0.00 33.47 31.80 2ai6 s TRP 120 CO 0.17 -0.49 0.32 0.00 -4.06 0.00 0.00 176.95 172.89 2ai6 s ALA 121 N -3.99 -0.79 -0.30 2.67 0.00 -1.07 -4.94 121.76 113.34 2ai6 s ALA 121 Ca 0.29 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2ai6 s ALA 121 Cb 0.07 -0.32 0.26 0.00 0.00 0.00 0.00 23.12 23.13 2ai6 s ALA 121 CO 0.06 -0.19 1.24 0.27 0.00 0.00 0.00 175.76 177.14 2ai6 n ASN 122 N 2.33 3.14 -0.51 0.00 6.94 -1.26 -3.83 115.26 122.08 2ai6 n ASN 122 Ca -0.16 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 2ai6 n ASN 122 Cb 0.57 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ai6 n ASP 123 N -0.02 0.00 0.00 0.53 -0.08 -1.26 -4.88 116.55 110.84 2ai6 n ASP 123 Ca 0.19 -0.51 0.00 0.00 -1.51 0.00 0.00 54.79 52.96 2ai6 n ASP 123 Cb 0.85 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.31 2ai6 n ASP 123 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ai6 n GLY 124 N 0.00 3.17 2.05 0.27 0.00 -1.26 -1.55 105.19 107.87 2ai6 n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60