#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 2.48 -0.35 3.04 0.00 -1.26 -4.96 121.76 120.72 2ai6 s ALA 2 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2ai6 s ALA 2 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 2ai6 s ALA 2 CO 0.00 -1.27 1.47 0.08 0.00 0.00 0.00 175.76 176.04 2ai6 s VAL 3 N -1.67 3.87 1.22 0.00 1.01 -1.26 -4.91 120.40 118.66 2ai6 s VAL 3 Ca 0.77 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 2ai6 s VAL 3 Cb -0.30 -4.04 0.30 0.00 0.00 0.00 0.00 36.38 32.34 2ai6 s VAL 3 CO 0.35 -0.57 1.13 0.00 0.00 0.00 0.00 175.10 176.00 2ai6 s ALA 4 N 5.35 0.67 0.04 5.51 0.00 -1.26 -5.06 121.76 127.01 2ai6 s ALA 4 Ca 0.64 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 2ai6 s ALA 4 Cb -0.17 -2.84 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 2ai6 s ALA 4 CO 0.30 -3.63 0.14 0.34 0.00 0.00 0.00 175.76 172.91 2ai6 s ASP 5 N -4.04 0.12 0.41 0.00 2.15 -1.26 -4.70 116.67 109.35 2ai6 s ASP 5 Ca 0.72 -0.47 0.18 0.00 0.43 0.00 0.00 52.55 53.41 2ai6 s ASP 5 Cb -0.08 0.26 1.09 0.00 -0.30 0.00 0.00 42.92 43.89 2ai6 s ASP 5 CO 0.56 -0.54 1.83 -0.07 -0.17 0.00 0.00 175.17 176.77 2ai6 h LEU 6 N 3.54 0.42 -1.72 -1.34 3.38 -1.97 -0.48 115.31 117.13 2ai6 h LEU 6 Ca -0.32 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2ai6 h LEU 6 Cb 1.19 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2ai6 h LEU 6 CO 0.50 0.14 -0.13 0.00 0.09 0.00 0.00 178.44 179.04 2ai6 h ALA 7 N 1.60 1.16 0.00 1.53 0.00 -2.03 -2.82 119.26 118.70 2ai6 h ALA 7 Ca 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2ai6 h ALA 7 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2ai6 h ALA 7 CO -0.21 0.16 -0.46 -0.07 0.00 0.00 0.00 179.25 178.67 2ai6 h LEU 8 N 0.00 0.00 -9.89 0.00 3.38 -1.50 -3.47 115.31 103.83 2ai6 h LEU 8 Ca -0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 2ai6 h LEU 8 Cb 0.44 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.29 2ai6 h LEU 8 CO 0.02 0.00 0.79 -0.63 0.09 0.00 0.00 178.44 178.71 2ai6 s ILE 9 N -3.27 2.16 -0.22 1.22 1.01 -1.07 -4.90 121.20 116.13 2ai6 s ILE 9 Ca 0.04 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.56 2ai6 s ILE 9 Cb 0.07 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2ai6 s ILE 9 CO 0.72 0.03 2.04 -2.16 0.00 0.00 0.00 174.94 175.58 2ai6 s PRO 10 N -1.56 3.33 0.17 2.79 0.04 -1.26 -4.88 135.00 133.62 2ai6 s PRO 10 Ca 0.55 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.43 2ai6 s PRO 10 Cb -0.46 -4.28 0.04 0.00 0.04 0.00 0.00 34.50 29.84 2ai6 s PRO 10 CO 0.57 -1.87 1.45 0.22 0.04 0.00 0.00 177.00 177.41 2ai6 h ASP 11 N 13.75 0.70 -3.78 6.66 3.58 -1.93 -3.44 116.42 131.97 2ai6 h ASP 11 Ca -0.39 -0.40 -0.32 0.00 0.42 0.00 0.00 57.03 56.34 2ai6 h ASP 11 Cb 1.21 -0.20 -0.30 0.00 1.72 0.00 0.00 39.33 41.76 2ai6 h ASP 11 CO 0.98 1.14 -0.75 -0.69 -2.88 0.00 0.00 179.24 177.04 2ai6 s VAL 12 N -3.93 0.33 -0.26 2.25 1.01 -1.26 -2.10 120.40 116.43 2ai6 s VAL 12 Ca -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2ai6 s VAL 12 Cb 0.11 -0.31 0.15 0.00 0.00 0.00 0.00 36.38 36.33 2ai6 s VAL 12 CO 0.86 0.11 0.45 -0.62 0.00 0.00 0.00 175.10 175.90 2ai6 s ASP 13 N 0.17 -0.27 -0.01 3.32 2.15 -0.76 -4.99 116.67 116.29 2ai6 s ASP 13 Ca -0.02 0.45 0.01 0.00 0.43 0.00 0.00 52.55 53.42 2ai6 s ASP 13 Cb -0.05 1.44 0.01 0.00 -0.30 0.00 0.00 42.92 44.02 2ai6 s ASP 13 CO -0.00 -0.29 -0.02 0.27 -0.17 0.00 0.00 175.17 174.96 2ai6 s ILE 14 N 2.64 0.19 -0.43 4.11 -4.36 -1.26 -3.39 121.20 118.69 2ai6 s ILE 14 Ca 0.15 -0.04 0.08 0.00 -0.26 0.00 0.00 60.65 60.58 2ai6 s ILE 14 Cb -0.15 -0.20 0.32 0.00 1.25 0.00 0.00 42.46 43.67 2ai6 s ILE 14 CO -0.17 0.09 0.97 -0.67 0.24 0.00 0.00 174.94 175.40 2ai6 n ASP 15 N 3.41 -1.41 -3.42 4.36 2.03 -1.23 -5.04 116.55 115.26 2ai6 n ASP 15 Ca -0.18 -3.45 -0.09 0.00 0.52 0.00 0.00 54.79 51.59 2ai6 n ASP 15 Cb 0.56 1.13 -0.01 0.00 -0.72 0.00 0.00 41.12 42.07 2ai6 n ASP 15 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ai6 s SER 16 N -1.62 0.07 0.23 1.67 0.01 -1.26 -4.71 113.70 108.08 2ai6 s SER 16 Ca 0.28 -1.02 -0.15 0.00 1.31 0.00 0.00 55.95 56.37 2ai6 s SER 16 Cb 0.30 0.74 0.01 0.00 0.21 0.00 0.00 66.02 67.28 2ai6 s SER 16 CO -0.07 -1.44 0.50 -0.62 0.41 0.00 0.00 173.24 172.02 2ai6 s ASP 17 N -3.05 -0.15 0.00 2.44 2.15 -1.26 -5.03 116.67 111.77 2ai6 s ASP 17 Ca 0.18 -0.75 0.00 0.00 0.43 0.00 0.00 52.55 52.41 2ai6 s ASP 17 Cb -0.04 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.17 2ai6 s ASP 17 CO 0.11 -1.12 0.00 0.61 -0.17 0.00 0.00 175.17 174.61 2ai6 n GLY 18 N -0.36 2.16 3.16 2.66 0.00 -1.26 -4.58 105.19 106.96 2ai6 n GLY 18 Ca -0.05 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2ai6 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai6 s VAL 19 N 0.00 -0.02 0.14 1.61 1.01 -1.26 -1.18 120.40 120.70 2ai6 s VAL 19 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.86 2ai6 s VAL 19 Cb 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.99 2ai6 s VAL 19 CO 0.00 0.03 0.48 0.72 0.00 0.00 0.00 175.10 176.33 2ai6 s PHE 20 N 0.73 -0.32 0.35 5.22 -0.71 -0.62 -4.86 117.98 117.77 2ai6 s PHE 20 Ca -0.05 0.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.89 2ai6 s PHE 20 Cb -0.06 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 2ai6 s PHE 20 CO -0.05 -0.77 0.55 0.15 -1.34 0.00 0.00 175.22 173.76 2ai6 s LYS 21 N -3.79 3.45 0.16 1.99 3.01 -1.26 -0.68 119.74 122.62 2ai6 s LYS 21 Ca 0.03 -0.38 -0.04 0.00 -1.01 0.00 0.00 55.97 54.57 2ai6 s LYS 21 Cb 0.01 -2.67 -0.03 0.00 -1.01 0.00 0.00 37.83 34.13 2ai6 s LYS 21 CO -0.12 0.13 0.16 -0.47 0.51 0.00 0.00 175.35 175.56 2ai6 s TYR 22 N -2.32 0.77 0.06 3.18 6.14 -0.25 -2.46 117.35 122.47 2ai6 s TYR 22 Ca 0.40 -1.11 -0.08 0.00 0.64 0.00 0.00 57.07 56.93 2ai6 s TYR 22 Cb -0.10 -0.34 -0.00 0.00 0.42 0.00 0.00 41.96 41.94 2ai6 s TYR 22 CO 0.36 -0.63 0.16 0.54 0.64 0.00 0.00 175.55 176.62 2ai6 s VAL 23 N -4.05 0.13 -0.22 3.14 0.11 -0.45 -2.62 120.40 116.45 2ai6 s VAL 23 Ca 0.25 -1.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 2ai6 s VAL 23 Cb 0.06 -1.08 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2ai6 s VAL 23 CO 0.04 -0.60 -0.16 -0.22 -3.33 0.00 0.00 175.10 170.83 2ai6 s LEU 24 N -2.39 2.71 -0.12 2.54 2.96 -0.87 -2.59 118.68 120.93 2ai6 s LEU 24 Ca -0.01 -0.98 0.02 0.00 -0.22 0.00 0.00 54.13 52.93 2ai6 s LEU 24 Cb 0.01 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2ai6 s LEU 24 CO -0.07 -0.09 -0.18 0.27 -1.32 0.00 0.00 176.35 174.96 2ai6 s ILE 25 N 1.21 2.56 0.42 6.68 -4.36 -0.91 -0.69 121.20 126.11 2ai6 s ILE 25 Ca -0.01 -0.84 -0.23 0.00 -0.26 0.00 0.00 60.65 59.31 2ai6 s ILE 25 Cb -0.16 -2.03 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 2ai6 s ILE 25 CO -0.09 0.54 1.01 -0.60 0.24 0.00 0.00 174.94 176.04 2ai6 s ARG 26 N 0.35 4.13 0.01 0.37 3.52 0.48 -0.96 118.95 126.85 2ai6 s ARG 26 Ca -0.15 1.36 0.02 0.00 -0.13 0.00 0.00 55.73 56.84 2ai6 s ARG 26 Cb -0.17 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2ai6 s ARG 26 CO 0.07 -0.15 -0.08 0.08 -0.81 0.00 0.00 175.30 174.42 2ai6 s VAL 27 N -1.85 0.58 0.09 7.11 1.01 0.67 -1.71 120.40 126.29 2ai6 s VAL 27 Ca 0.60 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.13 2ai6 s VAL 27 Cb -0.17 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2ai6 s VAL 27 CO 0.22 0.01 -0.18 -1.00 0.00 0.00 0.00 175.10 174.15 2ai6 s HIS 28 N -0.50 2.55 -0.48 5.22 0.09 -0.55 -1.24 115.29 120.39 2ai6 s HIS 28 Ca -0.00 -0.26 -0.26 0.00 -0.00 0.00 0.00 55.06 54.54 2ai6 s HIS 28 Cb -0.05 -1.39 -0.06 0.00 -0.00 0.00 0.00 32.58 31.08 2ai6 s HIS 28 CO 0.00 0.34 2.31 -1.12 -0.00 0.00 0.00 174.74 176.28 2ai6 s SER 29 N -1.91 4.66 0.00 1.40 0.01 -0.19 -4.05 113.70 113.63 2ai6 s SER 29 Ca 0.17 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2ai6 s SER 29 Cb -0.11 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2ai6 s SER 29 CO 0.09 -2.71 0.45 0.00 0.41 0.00 0.00 173.24 171.48 2ai6 n ALA 30 N 15.01 1.51 -1.48 1.44 0.00 -1.26 -4.54 120.51 131.20 2ai6 n ALA 30 Ca 0.34 -0.29 -0.50 0.00 0.00 0.00 0.00 53.44 52.99 2ai6 n ALA 30 Cb 0.53 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 0.39 -1.90 0.00 -0.02 -1.26 -1.24 135.00 130.96 2ai6 n PRO 31 Ca 0.00 0.14 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2ai6 n PRO 31 Cb 0.54 -1.37 -0.01 0.00 -0.02 0.00 0.00 33.50 32.64 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 1.18 -1.97 -2.75 -0.52 5.12 0.20 -1.69 116.66 116.22 2ai6 n ARG 32 Ca 0.17 0.33 -0.16 0.00 -1.93 0.00 0.00 57.85 56.26 2ai6 n ARG 32 Cb 0.23 -4.68 -0.00 0.00 -1.16 0.00 0.00 32.46 26.84 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 -0.80 -3.87 -0.56 0.55 7.64 -0.37 -4.81 113.62 111.41 2ai6 n SER 33 Ca -0.07 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.82 2ai6 n SER 33 Cb 0.40 -3.25 -0.00 0.00 -1.01 0.00 0.00 64.21 60.34 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 -0.94 0.70 3.71 0.23 0.00 -0.69 -5.11 105.19 103.10 2ai6 n GLY 34 Ca -0.10 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 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 0.02 1.12 1.20 4.61 0.00 -1.16 -4.92 120.51 121.37 2ai6 n ALA 35 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2ai6 n ALA 35 Cb 0.65 -2.30 0.64 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.52 0.36 -2.59 0.00 -0.04 -1.26 -4.89 135.00 125.06 2ai6 n PRO 36 Ca 0.14 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2ai6 n PRO 36 Cb 0.47 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2ai6 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ai6 n ALA 37 N -1.29 -0.42 -2.63 0.55 0.00 -1.26 -5.08 120.51 110.38 2ai6 n ALA 37 Ca 0.12 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 2ai6 n ALA 37 Cb 0.20 0.58 0.03 0.00 0.00 0.00 0.00 19.45 20.26 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 -1.86 3.65 -1.57 0.00 0.00 -1.26 -4.68 120.51 114.79 2ai6 n ALA 38 Ca -0.07 -3.30 -0.30 0.00 0.00 0.00 0.00 53.44 49.77 2ai6 n ALA 38 Cb 0.29 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.21 -0.04 0.05 0.00 2.02 -1.26 -4.76 118.70 111.50 2ai6 s GLU 39 Ca 0.30 -0.22 -0.05 0.00 0.02 0.00 0.00 54.97 55.02 2ai6 s GLU 39 Cb 0.45 -1.75 -0.01 0.00 0.10 0.00 0.00 34.13 32.91 2ai6 s GLU 39 CO 0.00 -2.90 0.09 -1.12 0.02 0.00 0.00 175.26 171.35 2ai6 s SER 40 N -4.43 0.22 0.20 -0.19 0.01 -1.26 -1.02 113.70 107.22 2ai6 s SER 40 Ca 0.72 -0.64 -0.16 0.00 1.31 0.00 0.00 55.95 57.18 2ai6 s SER 40 Cb -0.07 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.42 2ai6 s SER 40 CO 0.54 -0.57 0.48 -1.59 0.41 0.00 0.00 173.24 172.51 2ai6 s LYS 41 N -3.09 1.36 0.17 12.44 0.00 -0.38 -4.99 119.74 125.26 2ai6 s LYS 41 Ca -0.01 -0.96 0.06 0.00 0.00 0.00 0.00 55.97 55.06 2ai6 s LYS 41 Cb 0.02 0.49 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 2ai6 s LYS 41 CO -0.07 -0.57 0.08 -1.21 0.00 0.00 0.00 175.35 173.58 2ai6 s GLU 42 N -3.90 2.67 0.07 1.78 8.01 -1.26 -0.24 118.70 125.82 2ai6 s GLU 42 Ca 0.12 -0.99 0.04 0.00 0.01 0.00 0.00 54.97 54.14 2ai6 s GLU 42 Cb -0.00 -2.51 -0.03 0.00 -4.31 0.00 0.00 34.13 27.28 2ai6 s GLU 42 CO -0.01 0.47 -0.11 0.96 0.01 0.00 0.00 175.26 176.58 2ai6 s ILE 43 N -1.77 0.88 -0.21 -1.63 -4.36 -0.13 -4.96 121.20 109.03 2ai6 s ILE 43 Ca 0.29 -1.32 -0.03 0.00 -0.26 0.00 0.00 60.65 59.34 2ai6 s ILE 43 Cb -0.10 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.61 2ai6 s ILE 43 CO 0.21 -0.36 -0.07 -0.69 0.24 0.00 0.00 174.94 174.27 2ai6 s VAL 44 N -1.61 3.18 0.05 8.37 1.01 -0.89 -2.14 120.40 128.36 2ai6 s VAL 44 Ca -0.03 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2ai6 s VAL 44 Cb -0.08 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 2ai6 s VAL 44 CO 0.01 0.45 -0.13 -0.13 0.00 0.00 0.00 175.10 175.30 2ai6 s ARG 45 N 1.35 0.82 0.00 2.72 1.81 -1.07 -1.83 118.95 122.75 2ai6 s ARG 45 Ca 0.04 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.25 2ai6 s ARG 45 Cb -0.14 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.56 2ai6 s ARG 45 CO -0.04 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.18 2ai6 n GLY 46 N 1.68 1.13 3.41 -3.53 0.00 -1.22 -1.35 105.19 105.31 2ai6 n GLY 46 Ca -0.19 0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.29 -0.46 0.51 1.61 1.51 -1.03 -3.50 117.35 115.70 2ai6 s TYR 47 Ca 0.00 0.71 0.20 0.00 -1.01 0.00 0.00 57.07 56.97 2ai6 s TYR 47 Cb 0.00 0.30 1.36 0.00 -0.11 0.00 0.00 41.96 43.52 2ai6 s TYR 47 CO 0.00 -0.56 2.13 1.57 -1.11 0.00 0.00 175.55 177.58 2ai6 h LYS 48 N 3.18 0.00 0.00 -0.62 2.10 -1.85 -2.26 116.57 117.12 2ai6 h LYS 48 Ca -0.29 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.31 2ai6 h LYS 48 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 2ai6 h LYS 48 CO 0.40 0.06 -0.23 0.11 -2.00 0.00 0.00 179.45 177.79 2ai6 h TRP 49 N 0.00 0.00 -2.67 0.07 5.08 -1.96 -3.29 115.95 113.18 2ai6 h TRP 49 Ca -0.00 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.23 2ai6 h TRP 49 Cb 0.12 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.08 2ai6 h TRP 49 CO 0.00 0.23 0.87 0.00 -1.28 0.00 0.00 178.44 178.26 2ai6 s ALA 50 N -4.14 3.88 -0.88 0.11 0.00 -0.85 -4.84 121.76 115.03 2ai6 s ALA 50 Ca -0.02 -3.20 0.11 0.00 0.00 0.00 0.00 51.96 48.85 2ai6 s ALA 50 Cb 0.13 -3.94 0.50 0.00 0.00 0.00 0.00 23.12 19.81 2ai6 s ALA 50 CO 0.65 -2.71 1.36 0.39 0.00 0.00 0.00 175.76 175.45 2ai6 n GLU 51 N 5.36 0.03 -4.03 0.00 -0.58 -1.24 -4.27 120.64 115.91 2ai6 n GLU 51 Ca 0.27 0.38 -0.14 0.00 -0.42 0.00 0.00 57.16 57.25 2ai6 n GLU 51 Cb 0.45 -1.58 -0.14 0.00 -0.57 0.00 0.00 31.44 29.61 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 2ai6 s TYR 52 N -3.08 0.29 0.46 -0.32 1.13 -1.26 -4.90 117.35 109.67 2ai6 s TYR 52 Ca 0.04 -0.10 0.11 0.00 -1.41 0.00 0.00 57.07 55.71 2ai6 s TYR 52 Cb 0.06 -0.18 1.04 0.00 -1.10 0.00 0.00 41.96 41.78 2ai6 s TYR 52 CO 0.19 -0.02 2.10 0.45 -2.51 0.00 0.00 175.55 175.76 2ai6 h HIS 53 N 5.91 0.28 -0.02 -3.49 3.86 -1.85 -1.04 115.15 118.80 2ai6 h HIS 53 Ca -0.27 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2ai6 h HIS 53 Cb 1.20 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.57 2ai6 h HIS 53 CO 0.43 0.18 -0.05 0.00 0.86 0.00 0.00 177.93 179.36 2ai6 h ALA 54 N 1.86 1.89 -0.10 2.45 0.00 -1.96 -1.13 119.26 122.26 2ai6 h ALA 54 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2ai6 h ALA 54 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2ai6 h ALA 54 CO -0.02 0.09 -0.05 0.22 0.00 0.00 0.00 179.25 179.49 2ai6 h ASP 55 N 0.03 0.22 -0.35 0.00 3.58 -1.57 -0.76 116.42 117.57 2ai6 h ASP 55 Ca 0.01 -0.42 -0.10 0.00 0.42 0.00 0.00 57.03 56.94 2ai6 h ASP 55 Cb 0.10 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2ai6 h ASP 55 CO 0.01 0.59 -0.13 0.16 -2.88 0.00 0.00 179.24 176.99 2ai6 h ILE 56 N -0.15 1.26 -0.25 2.25 3.07 -1.60 -0.30 117.51 121.79 2ai6 h ILE 56 Ca 0.02 -1.21 -0.00 0.00 1.55 0.00 0.00 64.86 65.22 2ai6 h ILE 56 Cb 0.51 1.06 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 2ai6 h ILE 56 CO 0.02 0.41 0.15 0.22 -1.05 0.00 0.00 178.15 177.90 2ai6 h TYR 57 N 0.72 0.33 -0.20 0.16 3.20 -1.11 -0.40 116.97 119.67 2ai6 h TYR 57 Ca 0.12 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 2ai6 h TYR 57 Cb 0.62 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2ai6 h TYR 57 CO 0.03 0.24 -0.00 0.22 -1.64 0.00 0.00 178.16 177.01 2ai6 h ASP 58 N 0.31 0.34 -0.05 -2.11 3.58 -0.95 0.19 116.42 117.74 2ai6 h ASP 58 Ca 0.09 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.27 2ai6 h ASP 58 Cb 0.01 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 2ai6 h ASP 58 CO -0.02 0.57 -0.30 0.50 -2.88 0.00 0.00 179.24 177.11 2ai6 h LYS 59 N 0.11 -0.40 0.11 0.28 1.63 -0.98 -1.02 116.57 116.29 2ai6 h LYS 59 Ca 0.06 0.03 -0.27 0.00 -0.85 0.00 0.00 60.65 59.61 2ai6 h LYS 59 Cb 0.39 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2ai6 h LYS 59 CO 0.01 -0.27 -1.25 0.28 -3.45 0.00 0.00 179.45 174.77 2ai6 h VAL 60 N -0.42 1.48 -0.08 2.00 2.07 -1.03 -2.41 116.25 117.87 2ai6 h VAL 60 Ca 0.08 -3.08 -0.03 0.00 0.82 0.00 0.00 66.70 64.49 2ai6 h VAL 60 Cb 0.53 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 2ai6 h VAL 60 CO -0.29 0.89 -0.07 0.28 0.02 0.00 0.00 177.57 178.41 2ai6 h SER 61 N 0.06 0.10 0.11 0.57 0.02 -0.93 0.78 113.55 114.27 2ai6 h SER 61 Ca -0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2ai6 h SER 61 Cb 1.95 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2ai6 h SER 61 CO 0.19 0.19 -0.05 1.23 -1.14 0.00 0.00 176.83 177.25 2ai6 h GLY 62 N 0.43 -0.15 0.94 -3.77 0.00 -0.83 -0.47 103.07 99.22 2ai6 h GLY 62 Ca 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2ai6 h GLY 62 CO 0.01 -0.06 0.14 -1.80 0.00 0.00 0.00 176.54 174.84 2ai6 h ASP 63 N -0.24 0.57 -0.49 0.19 3.58 -0.93 -0.43 116.42 118.67 2ai6 h ASP 63 Ca -0.02 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.25 2ai6 h ASP 63 Cb 0.20 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2ai6 h ASP 63 CO 0.02 0.60 0.31 0.24 -2.88 0.00 0.00 179.24 177.53 2ai6 h MET 64 N 0.50 0.65 -0.06 0.28 2.86 -0.86 -1.45 114.93 116.84 2ai6 h MET 64 Ca 0.13 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2ai6 h MET 64 Cb 0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2ai6 h MET 64 CO -0.01 0.45 -0.35 1.96 1.06 0.00 0.00 176.91 180.02 2ai6 h GLN 65 N 0.66 0.12 -0.83 1.72 4.20 -0.87 0.01 115.11 120.12 2ai6 h GLN 65 Ca 0.18 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2ai6 h GLN 65 Cb -0.04 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 2ai6 h GLN 65 CO -0.04 0.47 0.40 -0.22 -0.67 0.00 0.00 178.83 178.77 2ai6 h LYS 66 N 0.11 1.20 -0.30 1.46 3.64 -0.54 -1.88 116.57 120.25 2ai6 h LYS 66 Ca 0.01 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2ai6 h LYS 66 Cb 0.68 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2ai6 h LYS 66 CO 0.05 0.92 0.18 1.96 -2.27 0.00 0.00 179.45 180.29 2ai6 h GLN 67 N 1.18 0.36 0.00 1.90 4.20 -0.51 -3.46 115.11 118.78 2ai6 h GLN 67 Ca 0.29 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.97 2ai6 h GLN 67 Cb 0.12 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2ai6 h GLN 67 CO -0.04 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 178.77 2ai6 n GLY 68 N -1.18 -0.12 3.51 3.46 0.00 -0.20 -0.63 105.19 110.03 2ai6 n GLY 68 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.45 1.63 0.15 0.00 2.15 -1.26 -4.06 116.67 111.83 2ai6 s ASP 70 Ca 0.69 -0.37 -0.09 0.00 0.43 0.00 0.00 52.55 53.21 2ai6 s ASP 70 Cb -0.14 -0.14 -0.01 0.00 -0.30 0.00 0.00 42.92 42.34 2ai6 s ASP 70 CO 0.58 0.09 0.27 0.00 -0.17 0.00 0.00 175.17 175.94 2ai6 s GLU 72 N -3.94 0.50 -0.22 0.00 2.12 -0.70 -4.98 118.70 111.49 2ai6 s GLU 72 Ca 0.14 1.00 -0.29 0.00 0.36 0.00 0.00 54.97 56.18 2ai6 s GLU 72 Cb 0.04 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 2ai6 s GLU 72 CO -0.03 -0.17 1.70 0.00 -0.54 0.00 0.00 175.26 176.23 2ai6 h LEU 74 N 12.09 0.00 0.00 0.00 3.38 -1.27 -3.48 115.31 126.03 2ai6 h LEU 74 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2ai6 h LEU 74 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 74 CO 1.00 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2ai6 n GLY 75 N -0.03 -1.46 3.30 0.83 0.00 -1.24 -4.75 105.19 101.84 2ai6 n GLY 75 Ca -0.01 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.13 1.70 0.00 -0.02 0.00 -0.78 -2.05 105.19 103.92 2ai6 n GLY 76 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.52 -0.70 3.22 -0.02 0.00 -1.08 -1.61 105.19 104.48 2ai6 n GLY 77 Ca -0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.04 1.13 0.02 1.61 1.70 -0.08 -1.09 118.95 122.21 2ai6 s ARG 78 Ca 0.00 -1.57 0.04 0.00 -0.47 0.00 0.00 55.73 53.73 2ai6 s ARG 78 Cb 0.00 0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 2ai6 s ARG 78 CO 0.00 -0.27 -0.13 0.42 -1.08 0.00 0.00 175.30 174.24 2ai6 s ILE 79 N -3.92 1.06 0.06 4.99 1.01 0.15 -1.34 121.20 123.20 2ai6 s ILE 79 Ca 0.30 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2ai6 s ILE 79 Cb 0.07 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.63 2ai6 s ILE 79 CO 0.07 0.13 0.33 -0.44 0.00 0.00 0.00 174.94 175.03 2ai6 s SER 80 N -0.75 -0.15 1.24 3.58 0.01 -0.70 -1.58 113.70 115.34 2ai6 s SER 80 Ca 0.03 -0.22 -0.15 0.00 1.31 0.00 0.00 55.95 56.93 2ai6 s SER 80 Cb -0.07 0.39 0.31 0.00 0.21 0.00 0.00 66.02 66.86 2ai6 s SER 80 CO 0.00 -0.67 0.93 0.00 0.41 0.00 0.00 173.24 173.91 2ai6 n HIS 81 N 0.39 -1.79 -3.96 2.43 1.44 -0.33 -1.62 115.22 111.78 2ai6 n HIS 81 Ca -0.18 -0.27 -0.09 0.00 -2.01 0.00 0.00 57.72 55.17 2ai6 n HIS 81 Cb 0.60 -1.62 -0.09 0.00 0.12 0.00 0.00 29.99 29.00 2ai6 n HIS 81 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 2ai6 s GLN 82 N -4.41 0.63 0.30 -1.40 -1.52 -1.26 -4.70 119.66 107.31 2ai6 s GLN 82 Ca 0.68 -0.91 -0.02 0.00 -1.95 0.00 0.00 55.36 53.16 2ai6 s GLN 82 Cb -0.23 0.24 0.46 0.00 -0.22 0.00 0.00 33.01 33.26 2ai6 s GLN 82 CO 0.65 -0.16 1.96 0.77 -0.25 0.00 0.00 175.29 178.26 2ai6 h SER 83 N 3.39 0.91 -1.88 5.90 0.02 -1.98 -3.30 113.55 116.59 2ai6 h SER 83 Ca -0.33 -0.04 -0.52 0.00 -0.84 0.00 0.00 61.79 60.06 2ai6 h SER 83 Cb 1.18 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 2ai6 h SER 83 CO 0.55 0.68 1.18 -1.58 -1.14 0.00 0.00 176.83 176.53 2ai6 s GLN 84 N -5.83 3.09 0.57 3.45 2.00 -1.26 -4.87 119.66 116.81 2ai6 s GLN 84 Ca -0.11 -0.24 0.27 0.00 -2.00 0.00 0.00 55.36 53.28 2ai6 s GLN 84 Cb 0.18 -4.54 1.56 0.00 0.80 0.00 0.00 33.01 31.01 2ai6 s GLN 84 CO 0.79 -2.40 2.07 0.22 -0.50 0.00 0.00 175.29 175.48 2ai6 h ASP 85 N 11.16 0.00 0.00 6.67 3.58 -2.02 -1.58 116.42 134.23 2ai6 h ASP 85 Ca -0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2ai6 h ASP 85 Cb 1.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.11 2ai6 h ASP 85 CO 1.29 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 177.94 2ai6 n LYS 86 N -3.97 0.69 -4.10 0.28 5.02 -1.26 -4.79 118.16 110.03 2ai6 n LYS 86 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.23 2ai6 n LYS 86 Cb 0.38 -1.29 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 2ai6 n LYS 86 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2ai6 s LYS 87 N -2.00 0.98 0.27 1.97 -2.85 -0.60 -2.57 119.74 114.94 2ai6 s LYS 87 Ca 0.20 -1.37 0.07 0.00 -1.00 0.00 0.00 55.97 53.86 2ai6 s LYS 87 Cb 0.09 0.28 -0.06 0.00 -2.06 0.00 0.00 37.83 36.08 2ai6 s LYS 87 CO 0.15 -0.30 -0.08 0.42 0.10 0.00 0.00 175.35 175.64 2ai6 s ILE 88 N -4.03 1.71 0.08 3.79 -1.09 -1.22 -4.08 121.20 116.35 2ai6 s ILE 88 Ca 0.22 -2.15 0.05 0.00 -2.23 0.00 0.00 60.65 56.54 2ai6 s ILE 88 Cb 0.06 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2ai6 s ILE 88 CO 0.01 -0.35 -0.15 -2.28 -1.23 0.00 0.00 174.94 170.94 2ai6 s HIS 89 N -2.97 1.28 -0.08 3.97 2.46 -0.64 -1.55 115.29 117.75 2ai6 s HIS 89 Ca 0.28 -0.46 0.02 0.00 0.47 0.00 0.00 55.06 55.37 2ai6 s HIS 89 Cb 0.03 -0.72 0.02 0.00 -0.13 0.00 0.00 32.58 31.77 2ai6 s HIS 89 CO 0.11 0.07 -0.12 0.08 -2.47 0.00 0.00 174.74 172.42 2ai6 s VAL 90 N -1.27 1.17 0.19 0.89 1.01 -0.64 -1.72 120.40 120.03 2ai6 s VAL 90 Ca -0.01 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2ai6 s VAL 90 Cb -0.10 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.23 2ai6 s VAL 90 CO 0.02 0.37 0.48 0.00 0.00 0.00 0.00 175.10 175.97 2ai6 n TYR 91 N 4.04 -1.58 -3.65 5.22 4.11 -0.45 -2.14 117.16 122.71 2ai6 n TYR 91 Ca -0.21 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 2ai6 n TYR 91 Cb 0.51 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 -0.33 -1.94 3.29 -7.48 0.00 -0.23 -0.90 105.19 97.60 2ai6 n GLY 92 Ca -0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.32 0.27 1.61 -0.85 -0.54 -4.65 117.35 112.88 2ai6 s TYR 93 Ca 0.00 0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 56.87 2ai6 s TYR 93 Cb 0.00 0.15 -0.09 0.00 0.38 0.00 0.00 41.96 42.40 2ai6 s TYR 93 CO 0.00 -0.36 1.13 -1.54 -1.52 0.00 0.00 175.55 173.25 2ai6 s SER 94 N -0.86 7.20 0.26 -0.18 1.04 -0.63 -4.66 113.70 115.87 2ai6 s SER 94 Ca -0.09 2.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.64 2ai6 s SER 94 Cb -0.04 -2.63 0.35 0.00 0.10 0.00 0.00 66.02 63.80 2ai6 s SER 94 CO 0.04 -0.20 1.74 -0.03 0.98 0.00 0.00 173.24 175.77 2ai6 h MET 95 N 3.92 0.71 0.01 4.02 4.05 -1.93 -0.90 114.93 124.81 2ai6 h MET 95 Ca -0.47 -0.21 -0.21 0.00 -0.28 0.00 0.00 59.70 58.53 2ai6 h MET 95 Cb 1.21 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2ai6 h MET 95 CO 0.67 0.78 -0.92 0.00 0.23 0.00 0.00 176.91 177.67 2ai6 h ALA 96 N 1.26 0.45 0.00 0.39 0.00 -2.00 -3.39 119.26 115.97 2ai6 h ALA 96 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2ai6 h ALA 96 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ai6 h ALA 96 CO 0.03 0.91 0.00 0.66 0.00 0.00 0.00 179.25 180.85 2ai6 n TYR 97 N -3.65 0.00 -2.01 0.00 4.01 -1.24 -5.14 117.16 109.13 2ai6 n TYR 97 Ca -0.04 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2ai6 n TYR 97 Cb 0.83 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.86 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 -0.02 -2.18 3.76 2.72 0.00 -0.34 -4.47 105.19 104.65 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 -0.51 4.39 0.93 1.61 0.04 -1.26 -1.86 135.00 138.35 2ai6 s PRO 99 Ca 0.00 2.13 -0.12 0.00 0.04 0.00 0.00 61.00 63.05 2ai6 s PRO 99 Cb 0.00 -3.12 0.15 0.00 0.04 0.00 0.00 34.50 31.57 2ai6 s PRO 99 CO 0.00 -0.18 1.12 0.00 0.04 0.00 0.00 177.00 177.98 2ai6 s ALA 100 N -0.66 1.55 -1.37 8.56 0.00 -1.01 -4.54 121.76 124.30 2ai6 s ALA 100 Ca 0.52 -0.48 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 2ai6 s ALA 100 Cb -0.38 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.71 2ai6 s ALA 100 CO 0.46 -2.43 2.09 1.04 0.00 0.00 0.00 175.76 176.92 2ai6 n GLN 101 N -3.88 2.80 0.32 0.00 6.02 -1.26 -4.79 117.38 116.58 2ai6 n GLN 101 Ca 0.06 -2.69 0.18 0.00 -0.01 0.00 0.00 57.00 54.55 2ai6 n GLN 101 Cb 0.59 -3.32 0.97 0.00 1.02 0.00 0.00 30.24 29.50 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 6.57 0.00 -0.96 1.08 3.86 -1.97 0.59 115.15 124.32 2ai6 h HIS 102 Ca 0.52 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.87 2ai6 h HIS 102 Cb 0.70 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.09 2ai6 h HIS 102 CO 1.43 0.00 0.61 0.00 0.86 0.00 0.00 177.93 180.83 2ai6 h ALA 103 N 1.68 1.67 -0.56 2.45 0.00 -1.97 -1.62 119.26 120.92 2ai6 h ALA 103 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 103 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ai6 h ALA 103 CO 0.00 0.07 0.29 0.82 0.00 0.00 0.00 179.25 180.42 2ai6 h ILE 104 N 0.84 1.20 0.24 0.00 1.08 -1.28 -0.68 117.51 118.90 2ai6 h ILE 104 Ca 0.49 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2ai6 h ILE 104 Cb 0.64 0.52 -0.02 0.00 -3.07 0.00 0.00 36.82 34.89 2ai6 h ILE 104 CO -0.25 0.22 -0.22 0.28 -0.69 0.00 0.00 178.15 177.48 2ai6 h SER 105 N 0.76 -0.59 -0.80 1.72 0.02 -1.43 -0.18 113.55 113.04 2ai6 h SER 105 Ca 0.19 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2ai6 h SER 105 Cb 0.09 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 2ai6 h SER 105 CO -0.03 -0.33 0.50 0.71 -1.14 0.00 0.00 176.83 176.54 2ai6 h THR 106 N -0.49 1.22 0.07 -2.27 1.35 -1.22 0.77 112.91 112.34 2ai6 h THR 106 Ca -0.01 -0.46 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2ai6 h THR 106 Cb 0.45 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 2ai6 h THR 106 CO -0.04 0.22 -0.03 -0.33 -0.25 0.00 0.00 175.52 175.09 2ai6 h GLU 107 N 1.09 -0.09 -0.21 4.72 5.08 -0.86 -0.64 114.58 123.68 2ai6 h GLU 107 Ca 0.29 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 2ai6 h GLU 107 Cb -0.07 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2ai6 h GLU 107 CO -0.06 -0.01 -0.46 0.87 -1.00 0.00 0.00 179.01 178.35 2ai6 h LYS 108 N -0.14 0.68 -0.40 2.33 1.57 -0.77 -1.31 116.57 118.53 2ai6 h LYS 108 Ca -0.01 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2ai6 h LYS 108 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2ai6 h LYS 108 CO 0.02 1.07 0.20 0.82 -0.57 0.00 0.00 179.45 180.99 2ai6 h ILE 109 N 0.38 1.17 -0.51 1.86 2.04 -0.87 -0.72 117.51 120.86 2ai6 h ILE 109 Ca 0.00 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2ai6 h ILE 109 Cb 1.07 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2ai6 h ILE 109 CO 0.10 0.18 0.18 0.11 0.00 0.00 0.00 178.15 178.72 2ai6 h LYS 110 N 0.50 0.75 -0.52 2.37 1.57 -1.01 0.79 116.57 121.03 2ai6 h LYS 110 Ca 0.14 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2ai6 h LYS 110 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2ai6 h LYS 110 CO -0.02 0.63 0.10 0.00 -0.57 0.00 0.00 179.45 179.59 2ai6 h ALA 111 N 1.47 0.68 0.00 3.86 0.00 -0.75 -3.23 119.26 121.29 2ai6 h ALA 111 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ai6 h ALA 111 Cb 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ai6 h ALA 111 CO -0.01 0.41 -0.37 0.87 0.00 0.00 0.00 179.25 180.15 2ai6 h LYS 112 N 0.73 0.00 -6.62 0.00 1.79 -0.65 -3.49 116.57 108.34 2ai6 h LYS 112 Ca 0.16 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.10 2ai6 h LYS 112 Cb 0.38 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.97 2ai6 h LYS 112 CO 0.01 0.00 -0.92 0.66 -1.08 0.00 0.00 179.45 178.11 2ai6 n TYR 113 N -2.62 -1.58 0.22 -1.35 4.01 0.23 -4.90 117.16 111.17 2ai6 n TYR 113 Ca 0.03 0.61 0.14 0.00 -0.16 0.00 0.00 57.90 58.53 2ai6 n TYR 113 Cb 0.50 -3.42 0.78 0.00 -0.31 0.00 0.00 39.34 36.88 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ai6 h PRO 114 N -1.91 0.00 -4.29 -0.72 0.11 -1.93 -3.43 132.00 119.83 2ai6 h PRO 114 Ca -0.65 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.28 2ai6 h PRO 114 Cb 1.38 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.36 2ai6 h PRO 114 CO 0.61 0.00 -0.49 0.34 -0.21 0.00 0.00 178.00 178.25 2ai6 s ASP 115 N -6.34 0.12 0.22 -2.05 2.15 -1.26 -5.09 116.67 104.42 2ai6 s ASP 115 Ca -0.05 -1.20 -0.08 0.00 0.43 0.00 0.00 52.55 51.65 2ai6 s ASP 115 Cb 0.16 0.41 0.26 0.00 -0.30 0.00 0.00 42.92 43.46 2ai6 s ASP 115 CO 0.61 -0.88 1.85 0.22 -0.17 0.00 0.00 175.17 176.79 2ai6 h TYR 116 N 2.58 0.89 -3.38 -5.34 3.20 -1.84 -3.46 116.97 109.61 2ai6 h TYR 116 Ca -0.33 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.53 2ai6 h TYR 116 Cb 1.24 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 2ai6 h TYR 116 CO 0.38 0.47 0.05 -2.00 -1.64 0.00 0.00 178.16 175.42 2ai6 s GLU 117 N -6.09 1.77 0.21 1.82 2.12 -1.06 -5.00 118.70 112.47 2ai6 s GLU 117 Ca -0.13 -1.24 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 2ai6 s GLU 117 Cb 0.17 0.54 -0.00 0.00 0.26 0.00 0.00 34.13 35.09 2ai6 s GLU 117 CO 0.78 -0.78 0.39 0.14 -0.54 0.00 0.00 175.26 175.25 2ai6 s VAL 118 N -3.63 0.03 0.20 3.70 -7.23 -1.26 -3.44 120.40 108.76 2ai6 s VAL 118 Ca 0.18 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2ai6 s VAL 118 Cb -0.03 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 2ai6 s VAL 118 CO 0.10 -0.12 0.15 0.42 -0.31 0.00 0.00 175.10 175.33 2ai6 s THR 119 N -3.99 0.01 0.18 5.32 -4.23 -0.60 -4.93 115.64 107.41 2ai6 s THR 119 Ca 0.20 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 2ai6 s THR 119 Cb 0.01 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 2ai6 s THR 119 CO 0.04 -0.04 0.25 -1.66 -0.54 0.00 0.00 174.62 172.67 2ai6 s TRP 120 N -4.14 0.63 -0.10 3.99 1.48 -1.26 -1.61 118.94 117.92 2ai6 s TRP 120 Ca 0.36 -0.96 -0.12 0.00 -1.06 0.00 0.00 56.10 54.32 2ai6 s TRP 120 Cb 0.06 -0.19 0.03 0.00 -1.16 0.00 0.00 33.47 32.22 2ai6 s TRP 120 CO 0.11 -0.72 0.32 0.00 -4.06 0.00 0.00 176.95 172.60 2ai6 s ALA 121 N -4.03 -0.79 -0.47 2.67 0.00 -0.91 -4.93 121.76 113.30 2ai6 s ALA 121 Ca 0.24 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.92 2ai6 s ALA 121 Cb 0.04 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 2ai6 s ALA 121 CO 0.04 -0.18 3.08 -1.71 0.00 0.00 0.00 175.76 177.00 2ai6 n ASN 122 N 2.54 6.35 -2.22 0.00 5.15 -1.26 -4.30 115.26 121.52 2ai6 n ASN 122 Ca -0.15 -2.87 -0.09 0.00 -0.60 0.00 0.00 54.58 50.87 2ai6 n ASN 122 Cb 0.57 -1.34 -0.02 0.00 -0.53 0.00 0.00 39.78 38.46 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 1.81 -0.76 -0.08 1.20 -0.08 -1.26 -4.99 116.55 112.39 2ai6 n ASP 123 Ca 0.51 -2.16 0.00 0.00 -1.51 0.00 0.00 54.79 51.62 2ai6 n ASP 123 Cb 0.63 1.45 0.00 0.00 2.34 0.00 0.00 41.12 45.55 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 -0.35 -0.25 0.00 0.27 0.00 -1.26 -1.07 105.19 102.53 2ai6 n GLY 124 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2ai6 n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90