#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 0.20 -0.03 -5.12 0.00 -1.26 -5.17 121.76 110.38 2ai6 s ALA 2 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.86 2ai6 s ALA 2 Cb 0.00 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.26 2ai6 s ALA 2 CO 0.00 -0.74 -0.01 0.08 0.00 0.00 0.00 175.76 175.09 2ai6 s VAL 3 N -4.05 0.25 1.08 0.00 1.01 -1.26 -4.96 120.40 112.48 2ai6 s VAL 3 Ca 0.26 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 2ai6 s VAL 3 Cb 0.02 -0.32 0.26 0.00 0.00 0.00 0.00 36.38 36.35 2ai6 s VAL 3 CO 0.08 0.15 1.08 0.00 0.00 0.00 0.00 175.10 176.41 2ai6 n ALA 4 N 4.02 -2.71 -2.89 5.51 0.00 -1.26 -5.08 120.51 118.10 2ai6 n ALA 4 Ca -0.26 -1.55 -0.11 0.00 0.00 0.00 0.00 53.44 51.53 2ai6 n ALA 4 Cb 0.51 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.78 2ai6 n ALA 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ai6 s ASP 5 N -4.61 -0.03 0.43 0.00 2.15 -1.26 -4.73 116.67 108.63 2ai6 s ASP 5 Ca 0.67 -0.32 0.17 0.00 0.43 0.00 0.00 52.55 53.50 2ai6 s ASP 5 Cb -0.05 0.32 1.08 0.00 -0.30 0.00 0.00 42.92 43.97 2ai6 s ASP 5 CO 0.50 -0.60 1.92 -0.07 -0.17 0.00 0.00 175.17 176.75 2ai6 h LEU 6 N 3.28 0.36 -1.73 -1.34 3.38 -1.96 0.29 115.31 117.60 2ai6 h LEU 6 Ca -0.32 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2ai6 h LEU 6 Cb 1.20 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 6 CO 0.48 0.18 -0.14 0.00 0.09 0.00 0.00 178.44 179.05 2ai6 h ALA 7 N 1.64 1.21 0.00 1.53 0.00 -2.01 -2.92 119.26 118.71 2ai6 h ALA 7 Ca 0.37 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2ai6 h ALA 7 Cb 0.90 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ai6 h ALA 7 CO -0.12 0.18 -1.00 -0.07 0.00 0.00 0.00 179.25 178.24 2ai6 h LEU 8 N 0.00 0.00 -9.53 0.00 3.38 -1.35 -3.46 115.31 104.34 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 0.43 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.22 2ai6 h LEU 8 CO 0.02 0.02 1.05 -0.63 0.09 0.00 0.00 178.44 178.99 2ai6 s ILE 9 N -3.35 2.57 -0.36 1.22 1.01 -1.10 -4.87 121.20 116.31 2ai6 s ILE 9 Ca -0.01 0.17 -0.38 0.00 0.00 0.00 0.00 60.65 60.44 2ai6 s ILE 9 Cb 0.09 -3.11 -0.13 0.00 0.01 0.00 0.00 42.46 39.32 2ai6 s ILE 9 CO 0.79 0.00 2.10 -2.65 0.00 0.00 0.00 174.94 175.19 2ai6 n PRO 10 N 5.23 0.91 0.01 2.79 -0.02 -1.26 -4.85 135.00 137.81 2ai6 n PRO 10 Ca 0.17 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.82 2ai6 n PRO 10 Cb 0.38 -2.23 0.06 0.00 -0.02 0.00 0.00 33.50 31.69 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 10.88 0.59 -3.70 2.55 3.58 -1.91 -3.45 116.42 124.96 2ai6 h ASP 11 Ca -0.27 -0.32 -0.19 0.00 0.42 0.00 0.00 57.03 56.67 2ai6 h ASP 11 Cb 1.34 -0.17 -0.27 0.00 1.72 0.00 0.00 39.33 41.95 2ai6 h ASP 11 CO 1.02 1.03 -0.50 -0.69 -2.88 0.00 0.00 179.24 177.22 2ai6 s VAL 12 N -3.96 -0.01 -0.26 2.25 1.01 -1.26 -2.35 120.40 115.82 2ai6 s VAL 12 Ca -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2ai6 s VAL 12 Cb 0.11 -0.29 0.13 0.00 0.00 0.00 0.00 36.38 36.34 2ai6 s VAL 12 CO 0.84 0.02 0.53 -0.62 0.00 0.00 0.00 175.10 175.86 2ai6 s ASP 13 N 0.37 -0.74 0.07 3.32 2.15 -0.91 -5.00 116.67 115.94 2ai6 s ASP 13 Ca -0.02 1.04 0.01 0.00 0.43 0.00 0.00 52.55 54.02 2ai6 s ASP 13 Cb -0.04 1.82 -0.04 0.00 -0.30 0.00 0.00 42.92 44.37 2ai6 s ASP 13 CO -0.02 -0.24 -0.06 0.27 -0.17 0.00 0.00 175.17 174.95 2ai6 s ILE 14 N 2.76 0.55 0.83 4.11 -5.25 -1.26 -3.65 121.20 119.29 2ai6 s ILE 14 Ca 0.04 -1.64 -0.11 0.00 -0.99 0.00 0.00 60.65 57.95 2ai6 s ILE 14 Cb -0.13 -1.30 0.09 0.00 2.95 0.00 0.00 42.46 44.07 2ai6 s ILE 14 CO -0.17 -0.75 1.09 -0.62 -1.79 0.00 0.00 174.94 172.70 2ai6 s ASP 15 N -2.56 4.05 1.27 4.36 2.15 -0.85 -5.01 116.67 120.09 2ai6 s ASP 15 Ca 0.04 1.57 -0.20 0.00 0.43 0.00 0.00 52.55 54.39 2ai6 s ASP 15 Cb 0.01 -2.27 0.31 0.00 -0.30 0.00 0.00 42.92 40.67 2ai6 s ASP 15 CO -0.04 -2.28 1.04 -0.44 -0.17 0.00 0.00 175.17 173.28 2ai6 s SER 16 N -3.51 0.31 -0.41 -0.34 0.01 -1.26 -4.90 113.70 103.60 2ai6 s SER 16 Ca 0.62 0.77 -0.40 0.00 1.31 0.00 0.00 55.95 58.25 2ai6 s SER 16 Cb -0.17 -1.10 -0.17 0.00 0.21 0.00 0.00 66.02 64.78 2ai6 s SER 16 CO 0.56 -4.52 1.35 -0.67 0.41 0.00 0.00 173.24 170.38 2ai6 n ASP 17 N -5.05 0.98 0.00 2.44 2.03 -1.26 -4.78 116.55 110.91 2ai6 n ASP 17 Ca 0.12 1.03 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2ai6 n ASP 17 Cb 0.59 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 2ai6 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 18 N 3.32 -0.67 2.91 0.27 0.00 -1.26 -5.06 105.19 104.70 2ai6 n GLY 18 Ca 0.26 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.00 0.58 0.12 1.61 1.01 -1.26 -2.58 120.40 116.87 2ai6 s VAL 19 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 2ai6 s VAL 19 Cb 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.86 2ai6 s VAL 19 CO 0.00 0.23 0.61 0.72 0.00 0.00 0.00 175.10 176.66 2ai6 s PHE 20 N 0.86 -0.55 0.55 5.22 -0.12 -0.47 -4.84 117.98 118.62 2ai6 s PHE 20 Ca -0.12 0.47 -0.15 0.00 -0.05 0.00 0.00 56.93 57.08 2ai6 s PHE 20 Cb -0.15 0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 42.70 2ai6 s PHE 20 CO 0.01 -0.80 1.00 0.15 -0.05 0.00 0.00 175.22 175.53 2ai6 s LYS 21 N -3.24 3.84 0.20 1.99 1.02 -1.26 -0.64 119.74 121.64 2ai6 s LYS 21 Ca -0.01 0.90 -0.02 0.00 0.02 0.00 0.00 55.97 56.86 2ai6 s LYS 21 Cb -0.01 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2ai6 s LYS 21 CO -0.08 -0.37 0.14 1.52 -0.92 0.00 0.00 175.35 175.64 2ai6 s TYR 22 N -2.78 1.09 0.02 3.18 1.13 -0.23 -2.65 117.35 117.10 2ai6 s TYR 22 Ca 0.58 -1.33 -0.02 0.00 -1.41 0.00 0.00 57.07 54.88 2ai6 s TYR 22 Cb -0.10 -0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 2ai6 s TYR 22 CO 0.38 -0.65 0.02 0.54 -2.51 0.00 0.00 175.55 173.33 2ai6 s VAL 23 N -4.14 0.11 -0.27 -3.49 0.11 -0.23 -2.57 120.40 109.92 2ai6 s VAL 23 Ca 0.37 -0.90 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 2ai6 s VAL 23 Cb 0.07 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2ai6 s VAL 23 CO 0.11 -0.50 0.03 -0.22 -3.33 0.00 0.00 175.10 171.19 2ai6 s LEU 24 N -1.54 3.54 -0.08 2.54 2.96 -0.56 -2.66 118.68 122.87 2ai6 s LEU 24 Ca -0.14 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2ai6 s LEU 24 Cb -0.08 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.82 2ai6 s LEU 24 CO -0.01 -0.15 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.23 2ai6 s ILE 25 N 1.45 1.28 0.43 6.68 -1.16 -0.74 -0.62 121.20 128.53 2ai6 s ILE 25 Ca 0.02 -0.54 -0.21 0.00 -0.51 0.00 0.00 60.65 59.41 2ai6 s ILE 25 Cb -0.17 -1.17 -0.11 0.00 0.61 0.00 0.00 42.46 41.63 2ai6 s ILE 25 CO -0.00 0.39 0.96 -0.60 -2.81 0.00 0.00 174.94 172.88 2ai6 s ARG 26 N 0.80 4.20 -0.03 3.50 3.52 0.45 -0.67 118.95 130.72 2ai6 s ARG 26 Ca -0.12 1.17 0.02 0.00 -0.13 0.00 0.00 55.73 56.68 2ai6 s ARG 26 Cb -0.16 -2.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.02 2ai6 s ARG 26 CO 0.02 -0.06 -0.07 0.08 -0.81 0.00 0.00 175.30 174.46 2ai6 s VAL 27 N -2.10 0.66 0.03 7.11 1.01 0.71 -1.85 120.40 125.97 2ai6 s VAL 27 Ca 0.62 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2ai6 s VAL 27 Cb -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2ai6 s VAL 27 CO 0.15 0.22 0.13 -1.00 0.00 0.00 0.00 175.10 174.60 2ai6 s HIS 28 N 0.32 3.36 -0.52 5.22 0.09 -0.22 -1.07 115.29 122.48 2ai6 s HIS 28 Ca -0.04 0.21 -0.26 0.00 -0.00 0.00 0.00 55.06 54.96 2ai6 s HIS 28 Cb -0.09 -1.73 -0.06 0.00 -0.00 0.00 0.00 32.58 30.70 2ai6 s HIS 28 CO 0.00 0.57 2.29 -1.12 -0.00 0.00 0.00 174.74 176.49 2ai6 s SER 29 N -2.13 4.60 0.00 1.40 0.01 -0.13 -4.01 113.70 113.44 2ai6 s SER 29 Ca 0.28 0.92 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2ai6 s SER 29 Cb -0.12 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2ai6 s SER 29 CO 0.20 -2.78 0.66 0.00 0.41 0.00 0.00 173.24 171.73 2ai6 n ALA 30 N 15.28 1.80 -1.47 1.44 0.00 -1.26 -4.47 120.51 131.82 2ai6 n ALA 30 Ca 0.33 -0.46 -0.53 0.00 0.00 0.00 0.00 53.44 52.78 2ai6 n ALA 30 Cb 0.54 -0.21 -0.05 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 0.19 -2.69 0.00 -0.02 -1.26 -1.19 135.00 130.03 2ai6 n PRO 31 Ca 0.00 0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.47 2ai6 n PRO 31 Cb 0.58 -1.37 -0.01 0.00 -0.02 0.00 0.00 33.50 32.68 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 1.34 -2.42 -2.84 -0.52 5.12 0.38 -1.33 116.66 116.39 2ai6 n ARG 32 Ca 0.18 0.02 -0.17 0.00 -1.93 0.00 0.00 57.85 55.95 2ai6 n ARG 32 Cb 0.17 -4.13 -0.00 0.00 -1.16 0.00 0.00 32.46 27.35 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2ai6 n SER 33 N -1.51 -4.03 -1.25 0.55 7.64 -0.33 -4.81 113.62 109.87 2ai6 n SER 33 Ca 0.02 -0.07 -0.03 0.00 1.01 0.00 0.00 58.87 59.80 2ai6 n SER 33 Cb 0.45 -3.37 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 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 0.74 3.74 0.23 0.00 -0.44 -5.11 105.19 103.34 2ai6 n GLY 34 Ca -0.09 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.05 2.30 0.57 4.61 0.00 -1.14 -4.94 121.76 123.12 2ai6 s ALA 35 Ca 0.13 0.87 0.34 0.00 0.00 0.00 0.00 51.96 53.29 2ai6 s ALA 35 Cb 0.16 -3.44 1.92 0.00 0.00 0.00 0.00 23.12 21.76 2ai6 s ALA 35 CO -0.07 -1.57 2.25 -1.35 0.00 0.00 0.00 175.76 175.03 2ai6 h PRO 36 N 0.11 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.83 2ai6 h PRO 36 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ai6 h PRO 36 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ai6 h PRO 36 CO 0.52 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 2ai6 n ALA 37 N -2.24 0.00 -2.66 -0.75 0.00 -1.26 -5.09 120.51 108.51 2ai6 n ALA 37 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2ai6 n ALA 37 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -3.00 3.65 -1.53 0.00 0.00 -1.26 -4.67 120.51 113.69 2ai6 n ALA 38 Ca 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 53.44 49.92 2ai6 n ALA 38 Cb 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 19.45 18.72 2ai6 n ALA 38 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ai6 n GLU 39 N -0.12 -1.01 -4.02 0.00 1.02 -1.26 -4.75 120.64 110.49 2ai6 n GLU 39 Ca 0.16 -1.31 -0.08 0.00 -0.02 0.00 0.00 57.16 55.91 2ai6 n GLU 39 Cb 0.78 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 31.19 2ai6 n GLU 39 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2ai6 s SER 40 N -4.06 0.36 -0.02 1.62 0.01 -1.26 -0.96 113.70 109.38 2ai6 s SER 40 Ca 0.48 -0.77 -0.18 0.00 1.31 0.00 0.00 55.95 56.79 2ai6 s SER 40 Cb -0.02 0.18 0.03 0.00 0.21 0.00 0.00 66.02 66.43 2ai6 s SER 40 CO 0.34 -0.51 0.39 -0.75 0.41 0.00 0.00 173.24 173.12 2ai6 s LYS 41 N -3.05 0.75 0.10 12.44 2.36 -0.23 -4.99 119.74 127.12 2ai6 s LYS 41 Ca -0.01 -0.09 0.05 0.00 -2.55 0.00 0.00 55.97 53.37 2ai6 s LYS 41 Cb 0.02 0.34 -0.04 0.00 -1.05 0.00 0.00 37.83 37.09 2ai6 s LYS 41 CO -0.07 -0.21 0.01 -1.21 1.55 0.00 0.00 175.35 175.42 2ai6 s GLU 42 N -1.28 2.59 0.12 4.03 8.01 -1.26 -0.20 118.70 130.70 2ai6 s GLU 42 Ca -0.13 -0.84 0.06 0.00 0.01 0.00 0.00 54.97 54.07 2ai6 s GLU 42 Cb -0.04 -2.55 -0.04 0.00 -4.31 0.00 0.00 34.13 27.19 2ai6 s GLU 42 CO 0.05 0.53 -0.15 0.96 0.01 0.00 0.00 175.26 176.67 2ai6 s ILE 43 N -1.37 1.38 -0.22 -1.63 -4.36 0.15 -4.92 121.20 110.24 2ai6 s ILE 43 Ca 0.26 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2ai6 s ILE 43 Cb -0.11 -1.53 0.04 0.00 1.25 0.00 0.00 42.46 42.11 2ai6 s ILE 43 CO 0.19 -0.37 -0.14 -0.69 0.24 0.00 0.00 174.94 174.17 2ai6 s VAL 44 N -2.00 1.99 0.03 8.37 1.01 -0.99 -1.79 120.40 127.02 2ai6 s VAL 44 Ca 0.09 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 60.86 2ai6 s VAL 44 Cb -0.06 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 2ai6 s VAL 44 CO 0.03 0.22 -0.09 -0.13 0.00 0.00 0.00 175.10 175.14 2ai6 s ARG 45 N 1.25 0.59 0.00 2.72 1.81 -1.09 -2.14 118.95 122.09 2ai6 s ARG 45 Ca -0.02 -0.62 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 2ai6 s ARG 45 Cb -0.17 -0.46 0.00 0.00 -0.45 0.00 0.00 34.95 33.87 2ai6 s ARG 45 CO -0.09 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.05 2ai6 n GLY 46 N 1.92 1.11 3.42 -3.53 0.00 -1.24 -1.06 105.19 105.81 2ai6 n GLY 46 Ca -0.19 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.50 -0.49 0.55 1.61 1.51 -1.08 -2.00 117.35 116.95 2ai6 s TYR 47 Ca 0.00 0.69 0.24 0.00 -1.01 0.00 0.00 57.07 56.99 2ai6 s TYR 47 Cb 0.00 0.35 1.58 0.00 -0.11 0.00 0.00 41.96 43.78 2ai6 s TYR 47 CO 0.00 -0.61 2.20 1.57 -1.11 0.00 0.00 175.55 177.60 2ai6 h LYS 48 N 2.96 0.00 0.00 -0.62 2.10 -1.88 -1.57 116.57 117.56 2ai6 h LYS 48 Ca -0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.30 2ai6 h LYS 48 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2ai6 h LYS 48 CO 0.40 0.01 -0.26 0.11 -2.00 0.00 0.00 179.45 177.71 2ai6 h TRP 49 N 0.00 0.00 -1.42 0.07 5.08 -1.97 -3.29 115.95 114.42 2ai6 h TRP 49 Ca -0.00 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 59.26 2ai6 h TRP 49 Cb 0.03 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.06 2ai6 h TRP 49 CO 0.00 0.26 1.85 0.00 -1.28 0.00 0.00 178.44 179.27 2ai6 n ALA 50 N -2.39 3.71 0.35 0.11 0.00 -0.59 -4.78 120.51 116.92 2ai6 n ALA 50 Ca -0.02 -4.02 0.04 0.00 0.00 0.00 0.00 53.44 49.44 2ai6 n ALA 50 Cb 0.35 -3.37 0.19 0.00 0.00 0.00 0.00 19.45 16.62 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 0.09 -3.82 0.00 1.02 -1.24 -4.41 120.64 119.45 2ai6 n GLU 51 Ca 0.44 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2ai6 n GLU 51 Cb 0.44 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.63 -0.15 0.46 -0.32 1.13 -1.26 -5.00 117.35 109.59 2ai6 s TYR 52 Ca 0.07 0.36 0.14 0.00 -1.41 0.00 0.00 57.07 56.22 2ai6 s TYR 52 Cb 0.05 0.05 1.05 0.00 -1.10 0.00 0.00 41.96 42.01 2ai6 s TYR 52 CO 0.12 -0.14 2.05 0.45 -2.51 0.00 0.00 175.55 175.52 2ai6 h HIS 53 N 5.53 0.09 -0.00 -3.49 3.86 -1.88 -1.01 115.15 118.25 2ai6 h HIS 53 Ca -0.26 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2ai6 h HIS 53 Cb 1.20 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ai6 h HIS 53 CO 0.44 0.16 0.00 0.00 0.86 0.00 0.00 177.93 179.39 2ai6 h ALA 54 N 1.85 1.96 -0.15 2.45 0.00 -1.96 -2.02 119.26 121.40 2ai6 h ALA 54 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2ai6 h ALA 54 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ai6 h ALA 54 CO 0.01 -0.00 -0.01 0.22 0.00 0.00 0.00 179.25 179.47 2ai6 h ASP 55 N 0.00 0.27 -0.38 0.00 3.58 -1.55 -0.98 116.42 117.36 2ai6 h ASP 55 Ca 0.00 -0.32 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 2ai6 h ASP 55 Cb 0.00 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2ai6 h ASP 55 CO -0.00 0.52 -0.06 0.16 -2.88 0.00 0.00 179.24 176.98 2ai6 h ILE 56 N 0.00 1.27 -0.36 2.25 3.07 -1.64 -0.73 117.51 121.38 2ai6 h ILE 56 Ca 0.04 -1.11 0.03 0.00 1.55 0.00 0.00 64.86 65.37 2ai6 h ILE 56 Cb 0.39 1.23 -0.03 0.00 -0.27 0.00 0.00 36.82 38.13 2ai6 h ILE 56 CO 0.01 0.37 0.17 0.22 -1.05 0.00 0.00 178.15 177.87 2ai6 h TYR 57 N 0.52 0.32 -0.11 0.16 3.20 -1.27 0.35 116.97 120.14 2ai6 h TYR 57 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2ai6 h TYR 57 Cb 0.56 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2ai6 h TYR 57 CO 0.05 0.17 0.00 0.22 -1.64 0.00 0.00 178.16 176.96 2ai6 h ASP 58 N 0.36 0.18 0.19 -2.11 3.58 -1.10 -0.38 116.42 117.14 2ai6 h ASP 58 Ca 0.15 -0.30 0.01 0.00 0.42 0.00 0.00 57.03 57.31 2ai6 h ASP 58 Cb 0.07 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 58 CO -0.11 0.44 -0.21 0.50 -2.88 0.00 0.00 179.24 176.98 2ai6 h LYS 59 N -0.08 -0.43 -0.21 0.28 3.64 -0.94 -0.45 116.57 118.39 2ai6 h LYS 59 Ca 0.03 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 2ai6 h LYS 59 Cb 0.34 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2ai6 h LYS 59 CO 0.00 -0.28 -0.15 0.28 -2.27 0.00 0.00 179.45 177.03 2ai6 h VAL 60 N -0.44 1.32 0.00 2.00 2.07 -0.95 -2.52 116.25 117.72 2ai6 h VAL 60 Ca 0.00 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 2ai6 h VAL 60 Cb 0.42 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2ai6 h VAL 60 CO -0.06 0.39 -0.11 0.28 0.02 0.00 0.00 177.57 178.08 2ai6 h SER 61 N 0.16 0.00 -0.01 0.57 0.02 -1.00 0.92 113.55 114.22 2ai6 h SER 61 Ca 0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2ai6 h SER 61 Cb 0.67 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2ai6 h SER 61 CO 0.04 0.11 0.01 1.23 -1.14 0.00 0.00 176.83 177.08 2ai6 h GLY 62 N 0.75 0.01 1.01 -3.77 0.00 -0.66 -0.25 103.07 100.16 2ai6 h GLY 62 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2ai6 h GLY 62 CO 0.01 0.01 -0.07 -1.80 0.00 0.00 0.00 176.54 174.69 2ai6 h ASP 63 N -0.05 0.85 -0.61 0.19 3.58 -0.90 -0.30 116.42 119.19 2ai6 h ASP 63 Ca 0.00 -0.35 0.06 0.00 0.42 0.00 0.00 57.03 57.17 2ai6 h ASP 63 Cb 0.07 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.83 2ai6 h ASP 63 CO -0.00 1.00 0.31 0.24 -2.88 0.00 0.00 179.24 177.91 2ai6 h MET 64 N 0.69 0.56 0.00 0.28 2.86 -0.83 -0.22 114.93 118.27 2ai6 h MET 64 Ca 0.12 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2ai6 h MET 64 Cb 0.61 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2ai6 h MET 64 CO 0.04 0.37 -0.43 1.96 1.06 0.00 0.00 176.91 179.91 2ai6 h GLN 65 N 0.58 0.00 -0.54 1.72 4.20 -0.80 0.95 115.11 121.22 2ai6 h GLN 65 Ca 0.28 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2ai6 h GLN 65 Cb 0.21 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2ai6 h GLN 65 CO -0.20 0.43 0.21 -0.22 -0.67 0.00 0.00 178.83 178.38 2ai6 h LYS 66 N 0.00 0.82 -0.34 1.46 3.64 -0.16 -2.02 116.57 119.98 2ai6 h LYS 66 Ca -0.00 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2ai6 h LYS 66 Cb 0.81 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2ai6 h LYS 66 CO 0.06 0.72 0.02 1.96 -2.27 0.00 0.00 179.45 179.94 2ai6 h GLN 67 N 0.74 0.51 0.00 1.90 4.20 -0.52 -3.46 115.11 118.48 2ai6 h GLN 67 Ca 0.18 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2ai6 h GLN 67 Cb 0.22 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2ai6 h GLN 67 CO -0.01 0.52 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 2ai6 n GLY 68 N -0.95 0.48 3.56 3.46 0.00 0.10 -0.47 105.19 111.38 2ai6 n GLY 68 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.56 2.03 0.12 0.00 2.15 -1.26 -4.07 116.67 112.08 2ai6 s ASP 70 Ca 0.69 -0.60 -0.05 0.00 0.43 0.00 0.00 52.55 53.02 2ai6 s ASP 70 Cb -0.14 -0.10 -0.02 0.00 -0.30 0.00 0.00 42.92 42.36 2ai6 s ASP 70 CO 0.57 0.01 0.13 0.00 -0.17 0.00 0.00 175.17 175.71 2ai6 s GLU 72 N -3.97 0.29 -0.32 0.00 0.41 -0.77 -4.99 118.70 109.35 2ai6 s GLU 72 Ca 0.16 0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 55.15 2ai6 s GLU 72 Cb 0.06 -0.03 -0.01 0.00 -1.78 0.00 0.00 34.13 32.37 2ai6 s GLU 72 CO -0.03 -0.18 1.58 0.00 -0.49 0.00 0.00 175.26 176.14 2ai6 h LEU 74 N 12.38 0.00 0.00 0.00 3.38 -1.23 -3.48 115.31 126.36 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 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 74 CO 1.04 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.49 2ai6 n GLY 75 N -0.11 -1.17 2.10 0.83 0.00 -1.21 -4.62 105.19 101.01 2ai6 n GLY 75 Ca -0.01 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 1.45 0.00 -0.02 0.00 -0.65 -1.50 105.19 104.47 2ai6 n GLY 76 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.30 1.07 3.25 -0.02 0.00 -1.06 -1.18 105.19 106.95 2ai6 n GLY 77 Ca -0.05 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 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 1.16 1.05 0.01 1.61 3.52 0.22 -1.07 118.95 125.45 2ai6 s ARG 78 Ca 0.00 -1.23 0.06 0.00 -0.13 0.00 0.00 55.73 54.43 2ai6 s ARG 78 Cb 0.00 -0.99 -0.02 0.00 -1.56 0.00 0.00 34.95 32.38 2ai6 s ARG 78 CO 0.00 0.20 -0.20 0.42 -0.81 0.00 0.00 175.30 174.91 2ai6 s ILE 79 N -1.99 1.58 0.12 4.11 1.01 0.18 -1.40 121.20 124.82 2ai6 s ILE 79 Ca 0.09 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2ai6 s ILE 79 Cb -0.06 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2ai6 s ILE 79 CO 0.04 0.33 0.05 -0.44 0.00 0.00 0.00 174.94 174.91 2ai6 s SER 80 N -0.76 0.33 0.10 3.58 0.01 -0.65 -1.37 113.70 114.94 2ai6 s SER 80 Ca 0.07 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.18 2ai6 s SER 80 Cb -0.08 0.28 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 2ai6 s SER 80 CO 0.00 -0.71 -0.07 -2.28 0.41 0.00 0.00 173.24 170.60 2ai6 s HIS 81 N -4.03 0.89 -0.31 2.43 2.46 -1.07 -0.88 115.29 114.79 2ai6 s HIS 81 Ca 0.22 -0.91 -0.01 0.00 0.47 0.00 0.00 55.06 54.82 2ai6 s HIS 81 Cb 0.08 -0.51 0.13 0.00 -0.13 0.00 0.00 32.58 32.14 2ai6 s HIS 81 CO 0.00 -0.15 0.25 1.14 -2.47 0.00 0.00 174.74 173.51 2ai6 s GLN 82 N -3.82 0.34 0.04 2.88 -2.07 -1.25 -4.84 119.66 110.94 2ai6 s GLN 82 Ca 0.12 -0.45 0.05 0.00 -1.82 0.00 0.00 55.36 53.26 2ai6 s GLN 82 Cb 0.05 -0.87 0.25 0.00 -1.09 0.00 0.00 33.01 31.35 2ai6 s GLN 82 CO -0.05 -1.06 1.16 0.43 -1.32 0.00 0.00 175.29 174.45 2ai6 n SER 83 N 5.05 0.08 0.25 12.60 7.64 -1.26 -0.89 113.62 137.10 2ai6 n SER 83 Ca -0.00 0.54 0.10 0.00 1.01 0.00 0.00 58.87 60.51 2ai6 n SER 83 Cb 0.44 -0.55 0.66 0.00 -1.01 0.00 0.00 64.21 63.75 2ai6 n SER 83 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2ai6 h GLN 84 N 0.00 0.00 0.00 1.43 7.50 -1.99 -3.36 115.11 118.69 2ai6 h GLN 84 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2ai6 h GLN 84 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 2ai6 h GLN 84 CO 0.00 0.13 0.00 -3.47 -1.50 0.00 0.00 178.83 173.99 2ai6 n ASP 85 N -3.95 0.00 -3.73 1.46 2.03 -0.30 -5.06 116.55 107.00 2ai6 n ASP 85 Ca -0.02 -0.96 -0.27 0.00 0.52 0.00 0.00 54.79 54.07 2ai6 n ASP 85 Cb 0.22 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.64 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 -2.64 -3.43 -0.67 4.01 -0.07 -4.99 118.16 110.37 2ai6 n LYS 86 Ca 0.00 0.50 -0.18 0.00 -0.51 0.00 0.00 58.31 58.13 2ai6 n LYS 86 Cb 0.24 -4.56 -0.11 0.00 -0.51 0.00 0.00 35.03 30.09 2ai6 n LYS 86 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2ai6 s LYS 87 N -6.03 0.28 0.69 1.97 2.20 -1.25 -4.46 119.74 113.14 2ai6 s LYS 87 Ca 0.25 -0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 55.68 2ai6 s LYS 87 Cb -0.08 -0.83 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 2ai6 s LYS 87 CO 0.85 -0.89 1.12 -0.89 -0.36 0.00 0.00 175.35 175.18 2ai6 n ILE 88 N 5.31 3.71 -4.13 5.43 5.41 -1.24 -3.88 119.36 129.98 2ai6 n ILE 88 Ca -0.03 -0.42 -0.13 0.00 1.00 0.00 0.00 62.75 63.16 2ai6 n ILE 88 Cb 0.47 -1.27 -0.11 0.00 -0.71 0.00 0.00 39.64 38.02 2ai6 n ILE 88 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2ai6 s HIS 89 N -1.64 0.88 -0.07 1.39 2.46 -0.06 -2.32 115.29 115.93 2ai6 s HIS 89 Ca 0.78 -0.63 0.01 0.00 0.47 0.00 0.00 55.06 55.69 2ai6 s HIS 89 Cb -0.36 -0.50 0.02 0.00 -0.13 0.00 0.00 32.58 31.60 2ai6 s HIS 89 CO 0.46 -0.06 -0.09 0.08 -2.47 0.00 0.00 174.74 172.65 2ai6 s VAL 90 N -2.17 0.96 0.28 0.89 1.01 -0.73 -1.63 120.40 119.01 2ai6 s VAL 90 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 2ai6 s VAL 90 Cb -0.05 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.46 2ai6 s VAL 90 CO -0.01 0.32 0.56 0.00 0.00 0.00 0.00 175.10 175.97 2ai6 n TYR 91 N 4.08 -1.95 -4.35 5.22 4.11 -0.49 -2.11 117.16 121.67 2ai6 n TYR 91 Ca -0.21 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.34 2ai6 n TYR 91 Cb 0.51 0.65 0.00 0.00 -0.00 0.00 0.00 39.34 40.51 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 -1.60 3.31 -7.48 0.00 -0.33 -0.61 105.19 98.10 2ai6 n GLY 92 Ca -0.06 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.33 0.16 1.61 -0.85 -1.20 -4.70 117.35 112.04 2ai6 s TYR 93 Ca 0.00 0.63 -0.30 0.00 -0.52 0.00 0.00 57.07 56.88 2ai6 s TYR 93 Cb 0.00 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.43 2ai6 s TYR 93 CO 0.00 -0.39 1.23 -1.54 -1.52 0.00 0.00 175.55 173.33 2ai6 s SER 94 N -0.93 7.03 0.40 -0.18 1.04 -0.32 -4.71 113.70 116.04 2ai6 s SER 94 Ca -0.10 2.23 0.18 0.00 0.48 0.00 0.00 55.95 58.75 2ai6 s SER 94 Cb -0.04 -2.60 0.86 0.00 0.10 0.00 0.00 66.02 64.34 2ai6 s SER 94 CO 0.04 -0.43 1.84 0.00 0.98 0.00 0.00 173.24 175.67 2ai6 h MET 95 N 5.63 0.00 -0.17 4.02 -0.00 -1.92 -0.32 114.93 122.16 2ai6 h MET 95 Ca -0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.10 2ai6 h MET 95 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2ai6 h MET 95 CO 0.77 0.32 -0.52 0.00 -0.00 0.00 0.00 176.91 177.48 2ai6 h ALA 96 N 1.68 0.29 0.00 -3.00 0.00 -1.99 -3.40 119.26 112.83 2ai6 h ALA 96 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ai6 h ALA 96 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ai6 h ALA 96 CO 0.04 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.43 2ai6 n TYR 97 N -4.16 0.00 -1.17 0.00 4.01 -1.24 -5.10 117.16 109.51 2ai6 n TYR 97 Ca -0.07 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2ai6 n TYR 97 Cb 0.61 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.05 -2.32 3.73 2.72 0.00 -0.13 -4.43 105.19 104.71 2ai6 n GLY 98 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.68 4.35 0.87 1.61 0.04 -1.26 -1.64 135.00 138.28 2ai6 s PRO 99 Ca 0.00 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2ai6 s PRO 99 Cb 0.00 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.43 2ai6 s PRO 99 CO 0.00 -0.36 1.13 0.00 0.04 0.00 0.00 177.00 177.82 2ai6 s ALA 100 N 0.65 2.03 -1.25 8.56 0.00 -1.17 -4.61 121.76 125.97 2ai6 s ALA 100 Ca 0.61 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.90 2ai6 s ALA 100 Cb -0.37 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 19.77 2ai6 s ALA 100 CO 0.34 -2.05 1.73 -0.65 0.00 0.00 0.00 175.76 175.13 2ai6 s GLN 101 N -5.30 3.79 0.65 0.00 -1.52 -1.26 -4.80 119.66 111.21 2ai6 s GLN 101 Ca 0.63 -1.80 0.34 0.00 -1.95 0.00 0.00 55.36 52.58 2ai6 s GLN 101 Cb -0.14 -5.49 1.89 0.00 -0.22 0.00 0.00 33.01 29.05 2ai6 s GLN 101 CO 0.53 -2.43 2.10 0.45 -0.25 0.00 0.00 175.29 175.69 2ai6 h HIS 102 N 8.06 0.00 -0.74 0.91 3.86 -1.97 0.85 115.15 126.11 2ai6 h HIS 102 Ca 0.40 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.73 2ai6 h HIS 102 Cb 0.89 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.28 2ai6 h HIS 102 CO 1.39 0.00 0.33 0.00 0.86 0.00 0.00 177.93 180.51 2ai6 h ALA 103 N 1.63 1.04 -0.05 2.45 0.00 -2.00 -1.12 119.26 121.22 2ai6 h ALA 103 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ai6 h ALA 103 Cb 0.44 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ai6 h ALA 103 CO -0.00 -0.13 0.03 0.82 0.00 0.00 0.00 179.25 179.97 2ai6 h ILE 104 N 0.53 1.01 -0.03 0.00 1.08 -1.23 -1.85 117.51 117.02 2ai6 h ILE 104 Ca 0.39 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.85 2ai6 h ILE 104 Cb 0.52 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2ai6 h ILE 104 CO -0.34 0.01 -0.05 0.28 -0.69 0.00 0.00 178.15 177.37 2ai6 h SER 105 N 0.06 -0.14 -0.78 1.72 0.02 -1.37 0.42 113.55 113.48 2ai6 h SER 105 Ca 0.02 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2ai6 h SER 105 Cb -0.01 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2ai6 h SER 105 CO -0.00 -0.07 0.28 0.71 -1.14 0.00 0.00 176.83 176.61 2ai6 h THR 106 N -0.07 1.26 -0.26 -2.27 1.35 -1.23 -0.33 112.91 111.37 2ai6 h THR 106 Ca 0.03 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 65.00 2ai6 h THR 106 Cb 0.11 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2ai6 h THR 106 CO -0.07 0.35 0.07 -0.33 -0.25 0.00 0.00 175.52 175.29 2ai6 h GLU 107 N 1.15 0.41 -0.52 4.72 5.08 -0.72 0.57 114.58 125.26 2ai6 h GLU 107 Ca 0.26 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2ai6 h GLU 107 Cb 0.26 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2ai6 h GLU 107 CO -0.02 0.49 0.21 0.87 -1.00 0.00 0.00 179.01 179.56 2ai6 h LYS 108 N 0.25 0.78 0.14 2.33 1.79 -0.81 -0.67 116.57 120.37 2ai6 h LYS 108 Ca 0.08 -0.14 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2ai6 h LYS 108 Cb 0.26 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2ai6 h LYS 108 CO -0.00 0.68 -0.08 0.82 -1.08 0.00 0.00 179.45 179.79 2ai6 h ILE 109 N 0.70 0.83 -0.59 1.86 2.04 -0.88 -1.19 117.51 120.28 2ai6 h ILE 109 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 2ai6 h ILE 109 Cb 0.19 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2ai6 h ILE 109 CO -0.01 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.58 2ai6 h LYS 110 N -0.21 0.81 -0.65 2.37 1.57 -0.67 0.22 116.57 120.01 2ai6 h LYS 110 Ca -0.01 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2ai6 h LYS 110 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2ai6 h LYS 110 CO 0.02 0.59 0.26 0.00 -0.57 0.00 0.00 179.45 179.74 2ai6 h ALA 111 N 1.55 0.85 0.00 3.86 0.00 -0.79 -3.04 119.26 121.69 2ai6 h ALA 111 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ai6 h ALA 111 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2ai6 h ALA 111 CO -0.04 0.46 -0.40 0.87 0.00 0.00 0.00 179.25 180.15 2ai6 h LYS 112 N 0.92 0.00 -6.97 0.00 1.79 -0.51 -3.49 116.57 108.30 2ai6 h LYS 112 Ca 0.22 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.08 2ai6 h LYS 112 Cb 0.21 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.77 2ai6 h LYS 112 CO -0.02 0.00 -1.00 2.48 -1.08 0.00 0.00 179.45 179.84 2ai6 n TYR 113 N -2.64 -1.36 0.37 -1.35 4.11 0.72 -4.88 117.16 112.14 2ai6 n TYR 113 Ca 0.03 0.27 0.13 0.00 -0.00 0.00 0.00 57.90 58.33 2ai6 n TYR 113 Cb 0.50 -2.82 0.53 0.00 -0.00 0.00 0.00 39.34 37.55 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 2ai6 h PRO 114 N -2.34 0.00 -4.22 -3.48 0.13 -1.92 -3.43 132.00 116.75 2ai6 h PRO 114 Ca -0.70 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.30 2ai6 h PRO 114 Cb 1.40 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.39 2ai6 h PRO 114 CO 0.59 0.00 -0.62 0.34 -0.23 0.00 0.00 178.00 178.08 2ai6 s ASP 115 N -4.46 0.38 0.16 1.44 2.15 -1.26 -5.09 116.67 109.98 2ai6 s ASP 115 Ca 0.03 -1.01 -0.16 0.00 0.43 0.00 0.00 52.55 51.85 2ai6 s ASP 115 Cb 0.09 0.25 0.03 0.00 -0.30 0.00 0.00 42.92 43.00 2ai6 s ASP 115 CO 0.41 -0.66 1.80 1.88 -0.17 0.00 0.00 175.17 178.42 2ai6 h TYR 116 N 3.00 0.43 -2.78 -5.34 0.05 -1.84 -3.46 116.97 107.03 2ai6 h TYR 116 Ca -0.34 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.44 2ai6 h TYR 116 Cb 1.17 -0.14 -0.13 0.00 1.01 0.00 0.00 36.73 38.64 2ai6 h TYR 116 CO 0.49 0.25 0.25 -2.00 -1.05 0.00 0.00 178.16 176.09 2ai6 s GLU 117 N -6.16 1.19 0.19 4.88 2.12 -1.26 -4.98 118.70 114.69 2ai6 s GLU 117 Ca -0.13 -0.36 -0.01 0.00 0.36 0.00 0.00 54.97 54.83 2ai6 s GLU 117 Cb 0.11 0.55 -0.04 0.00 0.26 0.00 0.00 34.13 35.01 2ai6 s GLU 117 CO 0.72 -0.50 0.13 0.14 -0.54 0.00 0.00 175.26 175.20 2ai6 s VAL 118 N -3.35 0.01 0.23 3.70 -7.23 -1.26 -3.71 120.40 108.78 2ai6 s VAL 118 Ca 0.00 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.19 2ai6 s VAL 118 Cb -0.01 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2ai6 s VAL 118 CO -0.10 -0.05 0.18 0.42 -0.31 0.00 0.00 175.10 175.24 2ai6 s THR 119 N -4.15 0.00 0.22 5.32 -4.23 -0.98 -5.01 115.64 106.82 2ai6 s THR 119 Ca 0.37 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2ai6 s THR 119 Cb 0.07 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 2ai6 s THR 119 CO 0.11 0.00 0.24 -1.66 -0.54 0.00 0.00 174.62 172.77 2ai6 s TRP 120 N -4.01 0.97 -0.05 3.99 1.48 -1.26 -1.78 118.94 118.28 2ai6 s TRP 120 Ca 0.38 -1.21 -0.06 0.00 -1.06 0.00 0.00 56.10 54.15 2ai6 s TRP 120 Cb 0.06 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 32.03 2ai6 s TRP 120 CO 0.15 -0.77 0.15 0.00 -4.06 0.00 0.00 176.95 172.42 2ai6 s ALA 121 N -4.05 -0.38 -0.27 2.67 0.00 -0.90 -4.92 121.76 113.92 2ai6 s ALA 121 Ca 0.34 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 2ai6 s ALA 121 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2ai6 s ALA 121 CO 0.12 -0.11 2.81 -1.71 0.00 0.00 0.00 175.76 176.88 2ai6 n ASN 122 N 2.63 6.04 -3.11 0.00 5.15 -1.26 -4.47 115.26 120.24 2ai6 n ASN 122 Ca -0.15 -2.91 -0.14 0.00 -0.60 0.00 0.00 54.58 50.78 2ai6 n ASN 122 Cb 0.58 -1.25 -0.02 0.00 -0.53 0.00 0.00 39.78 38.56 2ai6 n ASN 122 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ai6 s ASP 123 N 0.91 0.79 0.08 1.20 2.15 -1.26 -5.03 116.67 115.51 2ai6 s ASP 123 Ca 0.51 -1.45 0.00 0.00 0.43 0.00 0.00 52.55 52.05 2ai6 s ASP 123 Cb 0.31 0.72 0.00 0.00 -0.30 0.00 0.00 42.92 43.65 2ai6 s ASP 123 CO -0.10 -1.41 0.00 0.61 -0.17 0.00 0.00 175.17 174.10 2ai6 n GLY 124 N -0.57 -2.13 0.00 2.66 0.00 -1.26 -1.19 105.19 102.70 2ai6 n GLY 124 Ca -0.01 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2ai6 n GLY 124 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30