#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 -0.53 -0.06 3.04 0.00 -1.26 -5.19 121.76 117.77 2ai6 s ALA 2 Ca 0.00 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 2ai6 s ALA 2 Cb 0.00 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2ai6 s ALA 2 CO 0.00 -0.64 0.51 0.54 0.00 0.00 0.00 175.76 176.18 2ai6 s VAL 3 N -3.87 0.02 1.17 0.00 0.11 -1.26 -5.04 120.40 111.53 2ai6 s VAL 3 Ca 0.08 -0.19 -0.18 0.00 -2.93 0.00 0.00 61.98 58.76 2ai6 s VAL 3 Cb 0.03 -0.81 0.27 0.00 -1.53 0.00 0.00 36.38 34.34 2ai6 s VAL 3 CO -0.07 -0.11 1.10 0.00 -3.33 0.00 0.00 175.10 172.69 2ai6 s ALA 4 N -1.04 0.63 0.03 1.54 0.00 -1.26 -5.10 121.76 116.56 2ai6 s ALA 4 Ca -0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 2ai6 s ALA 4 Cb -0.03 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2ai6 s ALA 4 CO 0.06 -3.47 0.24 0.34 0.00 0.00 0.00 175.76 172.94 2ai6 s ASP 5 N -3.79 -0.05 0.52 0.00 2.15 -1.26 -4.77 116.67 109.46 2ai6 s ASP 5 Ca 0.70 -0.23 0.25 0.00 0.43 0.00 0.00 52.55 53.70 2ai6 s ASP 5 Cb -0.12 0.31 1.36 0.00 -0.30 0.00 0.00 42.92 44.18 2ai6 s ASP 5 CO 0.56 -0.55 1.96 -0.07 -0.17 0.00 0.00 175.17 176.90 2ai6 h LEU 6 N 3.49 0.06 -0.56 -1.34 3.38 -1.96 0.40 115.31 118.79 2ai6 h LEU 6 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2ai6 h LEU 6 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 6 CO 0.46 0.03 -0.37 0.00 0.09 0.00 0.00 178.44 178.64 2ai6 h ALA 7 N 1.67 0.86 0.00 1.53 0.00 -2.03 -3.23 119.26 118.07 2ai6 h ALA 7 Ca 0.32 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ai6 h ALA 7 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2ai6 h ALA 7 CO -0.02 0.47 -0.63 -0.07 0.00 0.00 0.00 179.25 178.99 2ai6 h LEU 8 N 0.00 0.00 -9.57 0.00 3.38 -1.34 -3.46 115.31 104.33 2ai6 h LEU 8 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2ai6 h LEU 8 Cb 1.07 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.87 2ai6 h LEU 8 CO 0.05 0.16 0.90 -0.38 0.09 0.00 0.00 178.44 179.25 2ai6 n ILE 9 N -2.94 0.01 -1.54 1.22 5.41 -1.02 -4.89 119.36 115.61 2ai6 n ILE 9 Ca 0.00 -0.00 -0.49 0.00 1.00 0.00 0.00 62.75 63.27 2ai6 n ILE 9 Cb 0.61 -1.74 -0.06 0.00 -0.71 0.00 0.00 39.64 37.74 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ai6 n PRO 10 N 3.69 1.53 0.13 0.38 -0.02 -1.26 -4.85 135.00 134.60 2ai6 n PRO 10 Ca 0.17 0.46 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 2ai6 n PRO 10 Cb 0.31 -2.68 0.16 0.00 -0.02 0.00 0.00 33.50 31.28 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 12.17 0.01 -3.75 2.55 3.58 -1.90 -3.44 116.42 125.63 2ai6 h ASP 11 Ca -0.36 -0.01 -0.19 0.00 0.42 0.00 0.00 57.03 56.89 2ai6 h ASP 11 Cb 1.29 -0.00 -0.27 0.00 1.72 0.00 0.00 39.33 42.07 2ai6 h ASP 11 CO 0.99 0.64 -0.54 -0.69 -2.88 0.00 0.00 179.24 176.76 2ai6 s VAL 12 N -3.59 -0.00 -0.27 2.25 1.01 -1.26 -2.26 120.40 116.28 2ai6 s VAL 12 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2ai6 s VAL 12 Cb 0.13 -0.23 0.16 0.00 0.00 0.00 0.00 36.38 36.43 2ai6 s VAL 12 CO 0.77 0.01 0.47 -0.62 0.00 0.00 0.00 175.10 175.73 2ai6 s ASP 13 N 0.18 -0.46 0.06 3.32 -1.08 -0.88 -4.99 116.67 112.83 2ai6 s ASP 13 Ca -0.01 0.46 0.01 0.00 -0.52 0.00 0.00 52.55 52.49 2ai6 s ASP 13 Cb -0.02 1.56 -0.04 0.00 -1.46 0.00 0.00 42.92 42.97 2ai6 s ASP 13 CO -0.00 -0.29 -0.05 0.27 0.52 0.00 0.00 175.17 175.62 2ai6 s ILE 14 N 2.68 0.46 0.42 4.11 -4.36 -1.26 -3.52 121.20 119.72 2ai6 s ILE 14 Ca 0.16 -1.63 -0.26 0.00 -0.26 0.00 0.00 60.65 58.66 2ai6 s ILE 14 Cb -0.15 -1.28 -0.09 0.00 1.25 0.00 0.00 42.46 42.19 2ai6 s ILE 14 CO -0.19 -0.78 1.45 -0.62 0.24 0.00 0.00 174.94 175.04 2ai6 s ASP 15 N -2.56 6.04 0.32 4.36 -1.08 -0.61 -4.94 116.67 118.20 2ai6 s ASP 15 Ca 0.03 2.97 0.10 0.00 -0.52 0.00 0.00 52.55 55.13 2ai6 s ASP 15 Cb 0.02 -2.66 0.52 0.00 -1.46 0.00 0.00 42.92 39.34 2ai6 s ASP 15 CO -0.05 -1.07 1.72 0.28 0.52 0.00 0.00 175.17 176.57 2ai6 h SER 16 N 2.57 0.07 -0.79 -0.34 0.02 -1.93 -3.45 113.55 109.70 2ai6 h SER 16 Ca -0.51 -0.03 0.19 0.00 -0.84 0.00 0.00 61.79 60.60 2ai6 h SER 16 Cb 1.26 -0.02 -0.23 0.00 0.14 0.00 0.00 62.40 63.55 2ai6 h SER 16 CO 0.62 0.53 0.15 -0.62 -1.14 0.00 0.00 176.83 176.37 2ai6 s ASP 17 N -6.89 -0.62 0.00 3.07 2.15 -1.26 -4.97 116.67 108.15 2ai6 s ASP 17 Ca -0.03 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.59 2ai6 s ASP 17 Cb 0.13 1.62 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 2ai6 s ASP 17 CO 0.75 -0.12 0.00 0.61 -0.17 0.00 0.00 175.17 176.24 2ai6 n GLY 18 N 5.17 -0.56 2.90 2.66 0.00 -1.26 -5.06 105.19 109.04 2ai6 n GLY 18 Ca -0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.44 0.94 0.19 1.61 1.01 -1.26 -1.87 120.40 117.57 2ai6 s VAL 19 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 2ai6 s VAL 19 Cb 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.48 2ai6 s VAL 19 CO 0.00 0.35 0.62 0.72 0.00 0.00 0.00 175.10 176.79 2ai6 s PHE 20 N 1.59 -0.45 0.60 5.22 -0.12 -0.43 -4.84 117.98 119.54 2ai6 s PHE 20 Ca 0.02 0.18 -0.10 0.00 -0.05 0.00 0.00 56.93 56.98 2ai6 s PHE 20 Cb -0.13 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 2ai6 s PHE 20 CO -0.06 -0.93 0.99 0.15 -0.05 0.00 0.00 175.22 175.32 2ai6 s LYS 21 N -3.79 3.59 0.20 1.99 -0.14 -1.26 -0.61 119.74 119.73 2ai6 s LYS 21 Ca 0.03 0.66 -0.03 0.00 -1.36 0.00 0.00 55.97 55.27 2ai6 s LYS 21 Cb -0.02 -2.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 2ai6 s LYS 21 CO -0.08 -0.51 0.19 1.52 -0.76 0.00 0.00 175.35 175.71 2ai6 s TYR 22 N -3.10 0.95 0.04 3.18 1.13 -0.50 -2.70 117.35 116.34 2ai6 s TYR 22 Ca 0.54 -1.22 -0.04 0.00 -1.41 0.00 0.00 57.07 54.94 2ai6 s TYR 22 Cb -0.11 -0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 40.34 2ai6 s TYR 22 CO 0.52 -0.69 0.07 0.54 -2.51 0.00 0.00 175.55 173.48 2ai6 s VAL 23 N -4.11 0.15 -0.24 -3.49 0.11 -0.19 -2.61 120.40 110.01 2ai6 s VAL 23 Ca 0.33 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 2ai6 s VAL 23 Cb 0.06 -0.95 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 2ai6 s VAL 23 CO 0.10 -0.66 -0.10 -0.22 -3.33 0.00 0.00 175.10 170.89 2ai6 s LEU 24 N -2.22 2.88 -0.06 2.54 1.98 -0.48 -2.59 118.68 120.73 2ai6 s LEU 24 Ca -0.04 -1.19 0.05 0.00 -2.89 0.00 0.00 54.13 50.07 2ai6 s LEU 24 Cb -0.00 -1.37 -0.01 0.00 0.66 0.00 0.00 46.19 45.47 2ai6 s LEU 24 CO -0.05 -0.18 -0.23 0.27 -1.89 0.00 0.00 176.35 174.27 2ai6 s ILE 25 N 1.26 1.87 0.40 6.68 -4.36 -0.84 -0.71 121.20 125.50 2ai6 s ILE 25 Ca -0.06 -0.96 -0.23 0.00 -0.26 0.00 0.00 60.65 59.15 2ai6 s ILE 25 Cb -0.19 -1.59 -0.10 0.00 1.25 0.00 0.00 42.46 41.83 2ai6 s ILE 25 CO -0.06 0.52 0.96 -0.60 0.24 0.00 0.00 174.94 176.00 2ai6 s ARG 26 N -0.05 4.30 -0.03 0.37 3.52 0.33 -0.89 118.95 126.49 2ai6 s ARG 26 Ca -0.05 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.79 2ai6 s ARG 26 Cb -0.14 -2.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.88 2ai6 s ARG 26 CO 0.04 0.03 -0.01 0.08 -0.81 0.00 0.00 175.30 174.63 2ai6 s VAL 27 N -1.94 0.25 0.13 7.11 1.01 0.44 -2.08 120.40 125.32 2ai6 s VAL 27 Ca 0.58 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.60 2ai6 s VAL 27 Cb -0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2ai6 s VAL 27 CO 0.18 0.17 0.32 -1.00 0.00 0.00 0.00 175.10 174.77 2ai6 s HIS 28 N 1.09 3.49 -0.56 5.22 0.09 -0.20 -1.53 115.29 122.88 2ai6 s HIS 28 Ca -0.09 0.41 -0.26 0.00 -0.00 0.00 0.00 55.06 55.11 2ai6 s HIS 28 Cb -0.14 -1.89 -0.04 0.00 -0.00 0.00 0.00 32.58 30.52 2ai6 s HIS 28 CO -0.02 0.48 2.06 -1.12 -0.00 0.00 0.00 174.74 176.13 2ai6 s SER 29 N -2.62 4.99 0.00 1.40 0.01 0.06 -4.10 113.70 113.45 2ai6 s SER 29 Ca 0.38 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.28 2ai6 s SER 29 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2ai6 s SER 29 CO 0.27 -2.54 0.66 0.00 0.41 0.00 0.00 173.24 172.03 2ai6 n ALA 30 N 13.81 1.95 -1.52 1.44 0.00 -1.26 -4.59 120.51 130.33 2ai6 n ALA 30 Ca 0.26 -0.35 -0.45 0.00 0.00 0.00 0.00 53.44 52.90 2ai6 n ALA 30 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 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 0.87 -1.90 0.00 -0.02 -1.26 -1.23 135.00 131.46 2ai6 n PRO 31 Ca 0.00 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.75 2ai6 n PRO 31 Cb 0.57 -1.55 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 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 0.80 -2.07 -3.00 -0.52 1.74 0.06 -1.27 116.66 112.40 2ai6 n ARG 32 Ca 0.12 0.16 -0.19 0.00 -0.77 0.00 0.00 57.85 57.18 2ai6 n ARG 32 Cb 0.30 -4.49 -0.00 0.00 -1.02 0.00 0.00 32.46 27.25 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 -0.64 -3.78 -1.17 0.55 7.64 -0.36 -4.83 113.62 111.04 2ai6 n SER 33 Ca -0.03 -0.15 -0.01 0.00 1.01 0.00 0.00 58.87 59.69 2ai6 n SER 33 Cb 0.35 -3.16 -0.02 0.00 -1.01 0.00 0.00 64.21 60.37 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 -1.04 0.77 3.74 0.23 0.00 -0.39 -5.11 105.19 103.39 2ai6 n GLY 34 Ca -0.06 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 2.39 -1.18 4.61 0.00 -1.17 -4.95 121.76 121.46 2ai6 s ALA 35 Ca 0.16 0.97 0.26 0.00 0.00 0.00 0.00 51.96 53.35 2ai6 s ALA 35 Cb 0.19 -3.46 1.21 0.00 0.00 0.00 0.00 23.12 21.06 2ai6 s ALA 35 CO -0.08 -1.44 1.87 -0.35 0.00 0.00 0.00 175.76 175.76 2ai6 n PRO 36 N -2.02 0.16 -2.66 0.00 -0.04 -1.26 -4.92 135.00 124.25 2ai6 n PRO 36 Ca 0.14 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2ai6 n PRO 36 Cb 0.50 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.41 -0.50 -2.42 0.55 0.00 -1.26 -5.07 120.51 110.39 2ai6 n ALA 37 Ca 0.09 -0.77 -0.06 0.00 0.00 0.00 0.00 53.44 52.70 2ai6 n ALA 37 Cb 0.27 0.62 0.05 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.77 3.41 -1.18 0.00 0.00 -1.26 -4.68 120.51 115.03 2ai6 n ALA 38 Ca -0.08 -3.07 -0.29 0.00 0.00 0.00 0.00 53.44 50.00 2ai6 n ALA 38 Cb 0.31 -0.64 0.18 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.16 0.27 0.05 0.00 0.41 -1.26 -4.71 118.70 110.31 2ai6 s GLU 39 Ca 0.37 0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 55.34 2ai6 s GLU 39 Cb 0.36 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.96 2ai6 s GLU 39 CO -0.04 -2.82 0.03 -1.12 -0.49 0.00 0.00 175.26 170.82 2ai6 s SER 40 N -3.51 0.35 0.20 -0.19 0.01 -1.26 -0.76 113.70 108.54 2ai6 s SER 40 Ca 0.66 -0.82 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 2ai6 s SER 40 Cb -0.18 0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.28 2ai6 s SER 40 CO 0.57 -0.58 0.46 -1.59 0.41 0.00 0.00 173.24 172.51 2ai6 s LYS 41 N -3.47 1.35 0.22 12.44 0.00 -0.58 -4.99 119.74 124.71 2ai6 s LYS 41 Ca 0.03 -1.00 0.07 0.00 0.00 0.00 0.00 55.97 55.06 2ai6 s LYS 41 Cb 0.04 0.48 -0.04 0.00 0.00 0.00 0.00 37.83 38.31 2ai6 s LYS 41 CO -0.08 -0.56 0.11 -1.21 0.00 0.00 0.00 175.35 173.61 2ai6 s GLU 42 N -3.92 2.69 0.08 1.78 8.01 -1.26 -0.42 118.70 125.67 2ai6 s GLU 42 Ca 0.13 -1.11 0.01 0.00 0.01 0.00 0.00 54.97 54.02 2ai6 s GLU 42 Cb 0.00 -2.46 -0.04 0.00 -4.31 0.00 0.00 34.13 27.33 2ai6 s GLU 42 CO -0.00 0.42 -0.06 0.96 0.01 0.00 0.00 175.26 176.59 2ai6 s ILE 43 N -2.03 0.58 -0.16 -1.63 -4.36 -0.07 -4.96 121.20 108.57 2ai6 s ILE 43 Ca 0.31 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2ai6 s ILE 43 Cb -0.08 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.15 2ai6 s ILE 43 CO 0.22 -0.83 -0.15 -0.69 0.24 0.00 0.00 174.94 173.74 2ai6 s VAL 44 N -3.36 1.70 0.02 8.37 1.01 -0.96 -1.98 120.40 125.20 2ai6 s VAL 44 Ca 0.08 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2ai6 s VAL 44 Cb 0.04 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2ai6 s VAL 44 CO -0.05 0.43 -0.04 -0.13 0.00 0.00 0.00 175.10 175.31 2ai6 s ARG 45 N 1.42 0.32 0.00 2.72 1.81 -1.07 -2.08 118.95 122.08 2ai6 s ARG 45 Ca 0.04 -0.43 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2ai6 s ARG 45 Cb -0.13 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.25 2ai6 s ARG 45 CO -0.11 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 174.94 2ai6 n GLY 46 N 2.14 1.34 3.36 -3.53 0.00 -1.23 -1.02 105.19 106.25 2ai6 n GLY 46 Ca -0.19 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 -0.36 0.43 1.61 1.51 -1.10 -1.58 117.35 117.48 2ai6 s TYR 47 Ca 0.00 0.25 0.10 0.00 -1.01 0.00 0.00 57.07 56.41 2ai6 s TYR 47 Cb 0.00 0.33 0.93 0.00 -0.11 0.00 0.00 41.96 43.11 2ai6 s TYR 47 CO 0.00 -0.68 2.05 -0.22 -1.11 0.00 0.00 175.55 175.59 2ai6 h LYS 48 N 2.59 0.36 0.00 -0.62 3.11 -1.88 -1.94 116.57 118.19 2ai6 h LYS 48 Ca -0.32 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.43 2ai6 h LYS 48 Cb 1.24 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 2ai6 h LYS 48 CO 0.43 0.28 -0.27 0.11 -2.81 0.00 0.00 179.45 177.19 2ai6 h TRP 49 N 0.36 0.00 -1.50 1.91 5.08 -1.97 -3.29 115.95 116.54 2ai6 h TRP 49 Ca 0.09 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.36 2ai6 h TRP 49 Cb 0.05 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.08 2ai6 h TRP 49 CO 0.00 0.27 1.74 0.00 -1.28 0.00 0.00 178.44 179.17 2ai6 s ALA 50 N -4.32 3.57 -0.15 0.11 0.00 -0.73 -4.79 121.76 115.45 2ai6 s ALA 50 Ca -0.03 -3.06 0.25 0.00 0.00 0.00 0.00 51.96 49.12 2ai6 s ALA 50 Cb 0.15 -4.39 1.27 0.00 0.00 0.00 0.00 23.12 20.15 2ai6 s ALA 50 CO 0.69 -3.08 1.75 0.93 0.00 0.00 0.00 175.76 176.05 2ai6 h GLU 51 N 7.60 0.00 -3.84 0.00 4.39 -1.78 -3.35 114.58 117.60 2ai6 h GLU 51 Ca 0.36 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.86 2ai6 h GLU 51 Cb 0.89 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.29 2ai6 h GLU 51 CO 1.35 0.00 -0.70 1.52 -1.16 0.00 0.00 179.01 180.02 2ai6 s TYR 52 N -3.57 0.12 0.48 4.33 1.13 -1.26 -4.85 117.35 113.72 2ai6 s TYR 52 Ca -0.01 -0.24 0.13 0.00 -1.41 0.00 0.00 57.07 55.54 2ai6 s TYR 52 Cb 0.08 -0.09 1.12 0.00 -1.10 0.00 0.00 41.96 41.97 2ai6 s TYR 52 CO 0.26 -0.09 2.10 0.45 -2.51 0.00 0.00 175.55 175.76 2ai6 h HIS 53 N 5.43 0.21 0.00 -3.49 3.86 -1.87 -1.14 115.15 118.14 2ai6 h HIS 53 Ca -0.28 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2ai6 h HIS 53 Cb 1.21 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 2ai6 h HIS 53 CO 0.53 0.13 -0.06 0.00 0.86 0.00 0.00 177.93 179.38 2ai6 h ALA 54 N 1.88 1.81 -0.13 2.45 0.00 -1.96 -0.72 119.26 122.59 2ai6 h ALA 54 Ca 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ai6 h ALA 54 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ai6 h ALA 54 CO -0.02 0.08 -0.02 0.22 0.00 0.00 0.00 179.25 179.51 2ai6 h ASP 55 N 0.00 0.24 -0.48 0.00 3.58 -1.58 -0.82 116.42 117.36 2ai6 h ASP 55 Ca -0.00 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 56.96 2ai6 h ASP 55 Cb 0.12 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2ai6 h ASP 55 CO 0.01 0.53 -0.24 0.16 -2.88 0.00 0.00 179.24 176.83 2ai6 h ILE 56 N -0.06 1.27 -0.30 2.25 3.07 -1.61 -1.03 117.51 121.09 2ai6 h ILE 56 Ca 0.03 -1.41 0.01 0.00 1.55 0.00 0.00 64.86 65.05 2ai6 h ILE 56 Cb 0.43 1.15 -0.02 0.00 -0.27 0.00 0.00 36.82 38.10 2ai6 h ILE 56 CO 0.01 0.48 0.18 0.22 -1.05 0.00 0.00 178.15 178.00 2ai6 h TYR 57 N 0.86 0.35 -0.12 0.16 3.20 -1.03 0.14 116.97 120.52 2ai6 h TYR 57 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2ai6 h TYR 57 Cb 0.82 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2ai6 h TYR 57 CO 0.05 0.21 0.06 0.22 -1.64 0.00 0.00 178.16 177.06 2ai6 h ASP 58 N 0.38 0.17 0.12 -2.11 3.58 -1.05 0.54 116.42 118.03 2ai6 h ASP 58 Ca 0.12 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2ai6 h ASP 58 Cb -0.02 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2ai6 h ASP 58 CO -0.05 0.26 -0.06 0.50 -2.88 0.00 0.00 179.24 177.02 2ai6 h LYS 59 N 0.06 -0.15 -0.14 0.28 3.64 -1.02 -0.37 116.57 118.87 2ai6 h LYS 59 Ca 0.04 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2ai6 h LYS 59 Cb 0.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2ai6 h LYS 59 CO -0.00 -0.06 -0.31 0.28 -2.27 0.00 0.00 179.45 177.09 2ai6 h VAL 60 N -0.20 1.36 -0.68 2.00 2.07 -0.69 -0.78 116.25 119.33 2ai6 h VAL 60 Ca -0.02 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 2ai6 h VAL 60 Cb 0.16 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2ai6 h VAL 60 CO 0.03 0.47 0.42 -1.28 0.02 0.00 0.00 177.57 177.23 2ai6 h SER 61 N 0.07 0.81 -0.16 0.57 0.87 -0.91 0.80 113.55 115.59 2ai6 h SER 61 Ca 0.00 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2ai6 h SER 61 Cb 0.90 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 2ai6 h SER 61 CO 0.07 0.61 0.08 1.23 -0.53 0.00 0.00 176.83 178.29 2ai6 h GLY 62 N 0.96 0.21 0.87 5.77 0.00 -0.75 0.62 103.07 110.75 2ai6 h GLY 62 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2ai6 h GLY 62 CO -0.05 0.05 0.07 -1.80 0.00 0.00 0.00 176.54 174.81 2ai6 h ASP 63 N 0.18 0.31 -0.64 0.19 1.82 -0.38 0.06 116.42 117.96 2ai6 h ASP 63 Ca 0.07 -0.20 0.05 0.00 -0.39 0.00 0.00 57.03 56.56 2ai6 h ASP 63 Cb 0.01 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 39.89 2ai6 h ASP 63 CO -0.04 0.43 0.35 0.24 -1.61 0.00 0.00 179.24 178.61 2ai6 h MET 64 N 0.17 0.64 -0.17 0.28 2.86 -0.78 -0.78 114.93 117.15 2ai6 h MET 64 Ca 0.07 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2ai6 h MET 64 Cb 0.23 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2ai6 h MET 64 CO -0.00 0.42 -0.32 1.96 1.06 0.00 0.00 176.91 180.03 2ai6 h GLN 65 N 0.66 0.34 -0.74 1.72 4.20 -0.62 0.94 115.11 121.61 2ai6 h GLN 65 Ca 0.28 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2ai6 h GLN 65 Cb 0.17 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2ai6 h GLN 65 CO -0.17 0.63 0.31 -0.22 -0.67 0.00 0.00 178.83 178.71 2ai6 h LYS 66 N 0.30 1.09 -0.64 1.46 3.64 -0.31 -1.99 116.57 120.13 2ai6 h LYS 66 Ca 0.04 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 2ai6 h LYS 66 Cb 0.72 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2ai6 h LYS 66 CO 0.05 0.89 0.23 1.96 -2.27 0.00 0.00 179.45 180.32 2ai6 h GLN 67 N 1.05 0.95 0.00 1.90 4.20 -0.57 -3.47 115.11 119.18 2ai6 h GLN 67 Ca 0.25 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 67 Cb 0.19 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2ai6 h GLN 67 CO -0.02 0.79 0.00 0.41 -0.67 0.00 0.00 178.83 179.34 2ai6 n GLY 68 N -0.95 0.33 3.59 3.46 0.00 0.11 -0.76 105.19 110.98 2ai6 n GLY 68 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.66 1.68 0.21 0.00 2.15 -1.26 -3.93 116.67 111.87 2ai6 s ASP 70 Ca 0.69 -0.37 -0.05 0.00 0.43 0.00 0.00 52.55 53.25 2ai6 s ASP 70 Cb -0.13 -0.14 -0.03 0.00 -0.30 0.00 0.00 42.92 42.32 2ai6 s ASP 70 CO 0.57 0.10 0.25 0.00 -0.17 0.00 0.00 175.17 175.92 2ai6 s GLU 72 N -4.10 0.61 -0.30 0.00 -1.05 -0.88 -4.99 118.70 107.99 2ai6 s GLU 72 Ca 0.32 0.80 -0.29 0.00 -0.15 0.00 0.00 54.97 55.66 2ai6 s GLU 72 Cb 0.04 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2ai6 s GLU 72 CO 0.10 -0.09 1.59 0.00 0.95 0.00 0.00 175.26 177.81 2ai6 h LEU 74 N 12.28 0.00 0.00 0.00 3.38 -1.27 -3.48 115.31 126.21 2ai6 h LEU 74 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ai6 h LEU 74 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 74 CO 1.03 0.28 0.00 0.61 0.09 0.00 0.00 178.44 180.45 2ai6 n GLY 75 N -0.02 -0.86 0.00 0.83 0.00 -1.20 -4.67 105.19 99.27 2ai6 n GLY 75 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2ai6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 76 N 0.00 1.67 0.00 -0.02 0.00 -0.81 -1.39 105.19 104.65 2ai6 n GLY 76 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.85 3.37 -0.02 0.00 -1.07 -1.59 105.19 106.72 2ai6 n GLY 77 Ca 0.00 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 1.29 1.43 -0.02 1.61 1.70 0.02 -1.41 118.95 123.56 2ai6 s ARG 78 Ca 0.00 -1.73 0.03 0.00 -0.47 0.00 0.00 55.73 53.56 2ai6 s ARG 78 Cb 0.00 -0.80 -0.00 0.00 -0.57 0.00 0.00 34.95 33.58 2ai6 s ARG 78 CO 0.00 -0.07 -0.11 0.42 -1.08 0.00 0.00 175.30 174.47 2ai6 s ILE 79 N -3.29 0.88 -0.10 4.99 1.01 0.22 -1.59 121.20 123.33 2ai6 s ILE 79 Ca 0.29 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2ai6 s ILE 79 Cb 0.05 -0.77 0.03 0.00 0.01 0.00 0.00 42.46 41.79 2ai6 s ILE 79 CO 0.10 0.26 0.26 -0.44 0.00 0.00 0.00 174.94 175.12 2ai6 s SER 80 N 0.02 -0.28 0.29 3.58 0.01 -0.69 -1.31 113.70 115.33 2ai6 s SER 80 Ca -0.01 0.53 -0.29 0.00 1.31 0.00 0.00 55.95 57.49 2ai6 s SER 80 Cb -0.07 0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.55 2ai6 s SER 80 CO 0.00 -0.12 1.42 -2.28 0.41 0.00 0.00 173.24 172.68 2ai6 s HIS 81 N 0.56 2.95 0.48 2.43 2.46 -0.78 -0.56 115.29 122.83 2ai6 s HIS 81 Ca -0.03 1.13 -0.24 0.00 0.47 0.00 0.00 55.06 56.39 2ai6 s HIS 81 Cb -0.05 -3.83 -0.07 0.00 -0.13 0.00 0.00 32.58 28.51 2ai6 s HIS 81 CO -0.03 -2.56 1.38 -0.65 -2.47 0.00 0.00 174.74 170.41 2ai6 s GLN 82 N -0.98 3.50 0.53 2.88 -0.21 -0.34 -4.88 119.66 120.16 2ai6 s GLN 82 Ca 0.56 2.31 0.25 0.00 0.02 0.00 0.00 55.36 58.50 2ai6 s GLN 82 Cb -0.42 -2.50 1.48 0.00 1.00 0.00 0.00 33.01 32.57 2ai6 s GLN 82 CO 0.49 -0.93 2.12 0.77 -2.12 0.00 0.00 175.29 175.62 2ai6 h SER 83 N 2.01 0.00 0.00 5.90 0.02 -1.93 -3.29 113.55 116.26 2ai6 h SER 83 Ca -0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2ai6 h SER 83 Cb 1.28 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.74 2ai6 h SER 83 CO 0.60 0.09 -0.40 0.00 -1.14 0.00 0.00 176.83 175.98 2ai6 n GLN 84 N -3.85 0.00 -3.76 3.45 10.64 -1.26 -5.11 117.38 117.49 2ai6 n GLN 84 Ca -0.02 -0.83 -0.13 0.00 -1.83 0.00 0.00 57.00 54.19 2ai6 n GLN 84 Cb 0.19 -0.15 -0.08 0.00 -0.86 0.00 0.00 30.24 29.33 2ai6 n GLN 84 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 2ai6 s ASP 85 N -0.83 -0.17 0.54 2.61 -1.08 -1.24 -5.07 116.67 111.43 2ai6 s ASP 85 Ca 0.05 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.28 2ai6 s ASP 85 Cb 0.06 0.33 1.43 0.00 -1.46 0.00 0.00 42.92 43.28 2ai6 s ASP 85 CO -0.03 -0.51 2.17 0.07 0.52 0.00 0.00 175.17 177.39 2ai6 h LYS 86 N 3.62 0.00 -7.34 4.34 2.10 -1.99 -3.37 116.57 113.94 2ai6 h LYS 86 Ca -0.30 0.00 -0.43 0.00 -2.00 0.00 0.00 60.65 57.91 2ai6 h LYS 86 Cb 1.18 0.00 0.18 0.00 -0.90 0.00 0.00 32.23 32.69 2ai6 h LYS 86 CO 0.42 0.02 0.14 0.15 -2.00 0.00 0.00 179.45 178.18 2ai6 s LYS 87 N -4.85 -0.50 0.21 0.07 1.02 -1.26 -4.82 119.74 109.61 2ai6 s LYS 87 Ca -0.05 0.30 0.11 0.00 0.02 0.00 0.00 55.97 56.35 2ai6 s LYS 87 Cb 0.16 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 2ai6 s LYS 87 CO 0.63 -3.30 -0.22 0.42 -0.92 0.00 0.00 175.35 171.96 2ai6 s ILE 88 N -2.91 2.28 0.05 2.17 1.01 -1.22 -1.20 121.20 121.39 2ai6 s ILE 88 Ca 0.68 -2.12 0.05 0.00 0.00 0.00 0.00 60.65 59.26 2ai6 s ILE 88 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2ai6 s ILE 88 CO 0.58 -0.24 -0.15 -2.28 0.00 0.00 0.00 174.94 172.85 2ai6 s HIS 89 N -2.00 1.27 -0.13 3.97 2.46 0.28 -1.88 115.29 119.27 2ai6 s HIS 89 Ca 0.22 -0.40 -0.00 0.00 0.47 0.00 0.00 55.06 55.35 2ai6 s HIS 89 Cb -0.07 -0.74 0.03 0.00 -0.13 0.00 0.00 32.58 31.67 2ai6 s HIS 89 CO 0.11 0.05 -0.08 0.08 -2.47 0.00 0.00 174.74 172.43 2ai6 s VAL 90 N -1.02 1.08 0.28 0.89 1.01 -0.28 -1.70 120.40 120.66 2ai6 s VAL 90 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 2ai6 s VAL 90 Cb -0.09 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2ai6 s VAL 90 CO 0.02 0.33 0.56 0.00 0.00 0.00 0.00 175.10 176.00 2ai6 n TYR 91 N 4.92 -1.97 -4.06 5.22 4.11 -0.62 -3.13 117.16 121.64 2ai6 n TYR 91 Ca -0.13 -1.32 0.00 0.00 -0.00 0.00 0.00 57.90 56.45 2ai6 n TYR 91 Cb 0.50 0.66 0.00 0.00 -0.00 0.00 0.00 39.34 40.49 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 -0.38 -1.20 3.10 -7.48 0.00 -0.11 -0.80 105.19 98.31 2ai6 n GLY 92 Ca -0.06 -1.25 -0.10 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 0.12 0.28 1.61 -0.85 -1.26 -4.65 117.35 112.61 2ai6 s TYR 93 Ca 0.00 -0.32 -0.29 0.00 -0.52 0.00 0.00 57.07 55.94 2ai6 s TYR 93 Cb 0.00 -0.10 -0.10 0.00 0.38 0.00 0.00 41.96 42.15 2ai6 s TYR 93 CO 0.00 -0.31 1.14 -1.54 -1.52 0.00 0.00 175.55 173.32 2ai6 s SER 94 N -1.69 7.17 0.00 -0.18 1.04 -0.60 -4.37 113.70 115.06 2ai6 s SER 94 Ca -0.11 2.35 0.07 0.00 0.48 0.00 0.00 55.95 58.73 2ai6 s SER 94 Cb -0.05 -2.63 0.33 0.00 0.10 0.00 0.00 66.02 63.76 2ai6 s SER 94 CO -0.01 -0.23 1.11 0.23 0.98 0.00 0.00 173.24 175.32 2ai6 n MET 95 N 1.20 0.07 0.00 4.02 0.00 -1.26 -2.27 117.12 118.88 2ai6 n MET 95 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.96 2ai6 n MET 95 Cb 0.44 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 -1.34 1.02 -0.78 3.04 0.00 -1.26 -4.90 120.51 116.29 2ai6 n ALA 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2ai6 n ALA 96 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.76 0.00 -1.60 0.00 4.01 -1.21 -5.15 117.16 112.45 2ai6 n TYR 97 Ca 0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2ai6 n TYR 97 Cb 0.00 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.03 -2.18 3.75 2.72 0.00 -0.96 -4.52 105.19 103.96 2ai6 n GLY 98 Ca 0.00 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.64 4.50 0.96 1.61 0.04 -1.26 -1.56 135.00 138.65 2ai6 s PRO 99 Ca 0.00 1.92 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 2ai6 s PRO 99 Cb 0.00 -3.20 0.18 0.00 0.04 0.00 0.00 34.50 31.52 2ai6 s PRO 99 CO 0.00 -0.04 1.23 0.00 0.04 0.00 0.00 177.00 178.23 2ai6 s ALA 100 N -0.49 1.98 -1.27 8.56 0.00 -1.12 -4.60 121.76 124.81 2ai6 s ALA 100 Ca 0.50 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 2ai6 s ALA 100 Cb -0.34 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 19.96 2ai6 s ALA 100 CO 0.40 -2.43 1.73 -0.65 0.00 0.00 0.00 175.76 174.81 2ai6 s GLN 101 N -5.64 3.87 0.41 0.00 -0.21 -1.26 -4.82 119.66 112.01 2ai6 s GLN 101 Ca 0.69 -1.88 0.25 0.00 0.02 0.00 0.00 55.36 54.44 2ai6 s GLN 101 Cb -0.08 -5.51 1.37 0.00 1.00 0.00 0.00 33.01 29.79 2ai6 s GLN 101 CO 0.53 -2.36 1.75 0.45 -2.12 0.00 0.00 175.29 173.55 2ai6 h HIS 102 N 7.88 0.00 -0.82 0.91 3.86 -1.96 0.30 115.15 125.32 2ai6 h HIS 102 Ca 0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.61 2ai6 h HIS 102 Cb 0.89 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.32 2ai6 h HIS 102 CO 1.41 0.00 0.46 0.00 0.86 0.00 0.00 177.93 180.65 2ai6 h ALA 103 N 1.84 1.27 -0.25 2.45 0.00 -1.97 -1.87 119.26 120.71 2ai6 h ALA 103 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ai6 h ALA 103 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ai6 h ALA 103 CO 0.00 0.60 0.17 0.82 0.00 0.00 0.00 179.25 180.84 2ai6 h ILE 104 N 1.14 1.07 0.27 0.00 2.04 -1.34 -1.74 117.51 118.95 2ai6 h ILE 104 Ca 0.29 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2ai6 h ILE 104 Cb 0.01 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2ai6 h ILE 104 CO -0.05 0.06 -0.31 0.28 0.00 0.00 0.00 178.15 178.13 2ai6 h SER 105 N 0.34 -0.86 -0.59 1.72 0.02 -1.52 -1.13 113.55 111.54 2ai6 h SER 105 Ca 0.09 0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2ai6 h SER 105 Cb -0.04 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2ai6 h SER 105 CO -0.02 -0.44 0.07 0.71 -1.14 0.00 0.00 176.83 176.02 2ai6 h THR 106 N -0.63 1.26 -0.44 -2.27 1.35 -1.33 -0.83 112.91 110.03 2ai6 h THR 106 Ca -0.01 -1.03 -0.03 0.00 -0.55 0.00 0.00 66.41 64.79 2ai6 h THR 106 Cb 0.59 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 2ai6 h THR 106 CO -0.09 0.38 0.16 -0.33 -0.25 0.00 0.00 175.52 175.39 2ai6 h GLU 107 N 0.90 0.67 -0.42 4.72 4.39 -1.14 0.57 114.58 124.27 2ai6 h GLU 107 Ca 0.18 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2ai6 h GLU 107 Cb 0.46 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2ai6 h GLU 107 CO 0.02 0.63 0.01 0.87 -1.16 0.00 0.00 179.01 179.37 2ai6 h LYS 108 N 0.57 0.73 -0.13 2.33 1.57 -1.09 -0.83 116.57 119.71 2ai6 h LYS 108 Ca 0.14 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2ai6 h LYS 108 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2ai6 h LYS 108 CO -0.01 0.81 0.02 0.82 -0.57 0.00 0.00 179.45 180.52 2ai6 h ILE 109 N 0.57 0.94 -0.92 1.86 2.04 -0.94 -0.43 117.51 120.62 2ai6 h ILE 109 Ca 0.12 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.97 2ai6 h ILE 109 Cb 0.47 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2ai6 h ILE 109 CO 0.02 0.01 0.61 0.11 0.00 0.00 0.00 178.15 178.90 2ai6 h LYS 110 N 0.07 1.21 -0.18 2.37 1.57 -0.66 0.13 116.57 121.08 2ai6 h LYS 110 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2ai6 h LYS 110 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2ai6 h LYS 110 CO -0.08 0.80 0.05 0.00 -0.57 0.00 0.00 179.45 179.64 2ai6 h ALA 111 N 1.43 0.24 0.00 3.86 0.00 -0.77 -3.15 119.26 120.87 2ai6 h ALA 111 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ai6 h ALA 111 Cb -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2ai6 h ALA 111 CO -0.08 -0.13 0.00 0.87 0.00 0.00 0.00 179.25 179.92 2ai6 h LYS 112 N 0.10 0.00 -6.17 0.00 1.79 -0.60 -3.48 116.57 108.22 2ai6 h LYS 112 Ca 0.06 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.10 2ai6 h LYS 112 Cb 0.26 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.95 2ai6 h LYS 112 CO -0.00 0.00 -0.87 0.98 -1.08 0.00 0.00 179.45 178.48 2ai6 n TYR 113 N -2.84 -1.88 0.40 -1.35 9.36 0.41 -4.91 117.16 116.35 2ai6 n TYR 113 Ca 0.03 0.74 0.13 0.00 3.32 0.00 0.00 57.90 62.13 2ai6 n TYR 113 Cb 0.43 -4.04 0.50 0.00 -0.63 0.00 0.00 39.34 35.60 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 -1.82 0.00 -3.69 2.98 0.13 -1.91 -3.45 132.00 124.23 2ai6 h PRO 114 Ca -0.63 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 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 0.55 0.00 -0.20 0.34 -0.23 0.00 0.00 178.00 178.46 2ai6 s ASP 115 N -4.76 -0.06 0.14 1.44 2.15 -1.26 -4.98 116.67 109.33 2ai6 s ASP 115 Ca 0.05 -0.75 -0.22 0.00 0.43 0.00 0.00 52.55 52.06 2ai6 s ASP 115 Cb 0.09 0.49 -0.00 0.00 -0.30 0.00 0.00 42.92 43.20 2ai6 s ASP 115 CO 0.48 -0.96 1.67 0.22 -0.17 0.00 0.00 175.17 176.41 2ai6 h TYR 116 N 2.42 -0.38 -2.58 -5.34 3.20 -1.90 -3.46 116.97 108.94 2ai6 h TYR 116 Ca -0.30 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.64 2ai6 h TYR 116 Cb 1.24 0.19 -0.14 0.00 1.54 0.00 0.00 36.73 39.56 2ai6 h TYR 116 CO 0.38 -0.22 0.36 -2.00 -1.64 0.00 0.00 178.16 175.05 2ai6 s GLU 117 N -6.15 1.03 0.24 1.82 2.12 -1.26 -5.05 118.70 111.45 2ai6 s GLU 117 Ca -0.14 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2ai6 s GLU 117 Cb 0.11 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.93 2ai6 s GLU 117 CO 0.68 -0.44 0.14 0.14 -0.54 0.00 0.00 175.26 175.23 2ai6 s VAL 118 N -3.31 0.18 0.16 3.70 -7.23 -1.26 -3.42 120.40 109.21 2ai6 s VAL 118 Ca 0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 2ai6 s VAL 118 Cb -0.01 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2ai6 s VAL 118 CO -0.10 0.00 0.14 0.42 -0.31 0.00 0.00 175.10 175.25 2ai6 s THR 119 N -3.93 0.07 0.22 5.32 -4.23 -0.79 -4.97 115.64 107.34 2ai6 s THR 119 Ca 0.38 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2ai6 s THR 119 Cb 0.07 -2.10 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 2ai6 s THR 119 CO 0.14 -0.31 0.26 -1.66 -0.54 0.00 0.00 174.62 172.51 2ai6 s TRP 120 N -4.05 0.90 -0.06 3.99 1.48 -1.26 -1.13 118.94 118.80 2ai6 s TRP 120 Ca 0.26 -1.16 -0.10 0.00 -1.06 0.00 0.00 56.10 54.04 2ai6 s TRP 120 Cb 0.06 -0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.09 2ai6 s TRP 120 CO 0.04 -0.78 0.25 0.00 -4.06 0.00 0.00 176.95 172.40 2ai6 s ALA 121 N -4.07 -0.61 -0.12 2.67 0.00 -1.18 -4.95 121.76 113.48 2ai6 s ALA 121 Ca 0.33 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2ai6 s ALA 121 Cb 0.04 -0.24 0.13 0.00 0.00 0.00 0.00 23.12 23.05 2ai6 s ALA 121 CO 0.11 -0.16 1.57 -1.71 0.00 0.00 0.00 175.76 175.57 2ai6 n ASN 122 N 2.37 4.39 -2.82 0.00 5.15 -1.26 -4.32 115.26 118.77 2ai6 n ASN 122 Ca -0.16 -2.52 -0.12 0.00 -0.60 0.00 0.00 54.58 51.18 2ai6 n ASN 122 Cb 0.57 -0.81 -0.00 0.00 -0.53 0.00 0.00 39.78 39.01 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ai6 n ASP 123 N 0.50 -1.69 0.00 1.20 -0.08 -1.26 -4.99 116.55 110.23 2ai6 n ASP 123 Ca 0.14 -2.69 0.00 0.00 -1.51 0.00 0.00 54.79 50.73 2ai6 n ASP 123 Cb 0.66 2.96 0.00 0.00 2.34 0.00 0.00 41.12 47.08 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 -0.53 0.83 0.00 0.27 0.00 -1.26 -0.94 105.19 103.56 2ai6 n GLY 124 Ca -0.03 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2ai6 n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90