#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 -0.64 -0.43 -5.12 0.00 -1.26 -5.10 121.76 109.21 2ai6 s ALA 2 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 2ai6 s ALA 2 Cb 0.00 0.96 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 2ai6 s ALA 2 CO 0.00 -0.88 1.79 0.08 0.00 0.00 0.00 175.76 176.75 2ai6 s VAL 3 N -3.96 3.47 1.27 0.00 1.01 -1.26 -4.87 120.40 116.06 2ai6 s VAL 3 Ca 0.16 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2ai6 s VAL 3 Cb -0.02 -3.78 0.31 0.00 0.00 0.00 0.00 36.38 32.90 2ai6 s VAL 3 CO 0.05 -0.59 1.08 0.00 0.00 0.00 0.00 175.10 175.64 2ai6 s ALA 4 N 7.54 0.33 0.06 5.51 0.00 -1.26 -5.06 121.76 128.88 2ai6 s ALA 4 Ca 0.74 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.59 2ai6 s ALA 4 Cb -0.18 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2ai6 s ALA 4 CO 0.29 -3.87 0.23 0.34 0.00 0.00 0.00 175.76 172.75 2ai6 s ASP 5 N -3.83 0.01 0.55 0.00 2.15 -1.26 -4.67 116.67 109.61 2ai6 s ASP 5 Ca 0.71 -0.39 0.22 0.00 0.43 0.00 0.00 52.55 53.53 2ai6 s ASP 5 Cb -0.09 0.32 1.46 0.00 -0.30 0.00 0.00 42.92 44.31 2ai6 s ASP 5 CO 0.56 -0.62 2.13 -0.07 -0.17 0.00 0.00 175.17 177.00 2ai6 h LEU 6 N 3.19 0.00 -1.12 -1.34 3.38 -1.95 0.98 115.31 118.45 2ai6 h LEU 6 Ca -0.33 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 2ai6 h LEU 6 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2ai6 h LEU 6 CO 0.49 0.00 -0.34 0.00 0.09 0.00 0.00 178.44 178.68 2ai6 h ALA 7 N 1.91 1.09 0.01 1.53 0.00 -2.01 -3.22 119.26 118.58 2ai6 h ALA 7 Ca 0.06 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 2ai6 h ALA 7 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 7 CO -0.00 0.43 -1.63 -0.07 0.00 0.00 0.00 179.25 177.98 2ai6 h LEU 8 N 0.00 0.03 -9.54 0.00 3.38 -1.26 -3.45 115.31 104.46 2ai6 h LEU 8 Ca -0.00 -0.06 -0.55 0.00 0.09 0.00 0.00 57.88 57.36 2ai6 h LEU 8 Cb 0.79 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 41.58 2ai6 h LEU 8 CO 0.04 1.06 1.00 -0.38 0.09 0.00 0.00 178.44 180.25 2ai6 n ILE 9 N -3.12 0.16 -2.07 1.22 5.41 -0.52 -4.94 119.36 115.50 2ai6 n ILE 9 Ca -0.15 -0.03 -0.39 0.00 1.00 0.00 0.00 62.75 63.18 2ai6 n ILE 9 Cb 1.04 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2ai6 s PRO 10 N 1.81 3.76 -0.06 0.38 0.04 -1.26 -4.95 135.00 134.72 2ai6 s PRO 10 Ca 0.79 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.69 2ai6 s PRO 10 Cb -0.56 -2.56 -0.30 0.00 0.04 0.00 0.00 34.50 31.12 2ai6 s PRO 10 CO 0.37 -0.63 0.80 -0.44 0.04 0.00 0.00 177.00 177.13 2ai6 h ASP 11 N 2.28 0.46 -3.85 6.66 3.32 -1.92 -3.47 116.42 119.91 2ai6 h ASP 11 Ca -0.50 -0.92 -0.40 0.00 0.02 0.00 0.00 57.03 55.24 2ai6 h ASP 11 Cb 1.26 -0.15 -0.30 0.00 0.22 0.00 0.00 39.33 40.35 2ai6 h ASP 11 CO 0.61 1.48 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.14 2ai6 s VAL 12 N -2.45 0.66 -0.26 -1.35 1.01 -1.26 -1.41 120.40 115.33 2ai6 s VAL 12 Ca -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2ai6 s VAL 12 Cb 0.02 -0.58 0.15 0.00 0.00 0.00 0.00 36.38 35.97 2ai6 s VAL 12 CO 0.82 0.20 0.46 -0.62 0.00 0.00 0.00 175.10 175.96 2ai6 s ASP 13 N 0.11 -0.36 0.04 3.32 -1.08 -1.04 -5.01 116.67 112.65 2ai6 s ASP 13 Ca -0.01 0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 52.46 2ai6 s ASP 13 Cb -0.07 1.50 -0.03 0.00 -1.46 0.00 0.00 42.92 42.87 2ai6 s ASP 13 CO 0.00 -0.29 -0.01 0.27 0.52 0.00 0.00 175.17 175.66 2ai6 s ILE 14 N 2.66 0.16 1.16 4.11 -4.36 -1.26 -3.67 121.20 120.00 2ai6 s ILE 14 Ca 0.16 -1.32 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 2ai6 s ILE 14 Cb -0.15 -0.88 0.27 0.00 1.25 0.00 0.00 42.46 42.95 2ai6 s ILE 14 CO -0.18 -0.73 1.07 -0.62 0.24 0.00 0.00 174.94 174.72 2ai6 s ASP 15 N -2.17 1.20 0.00 4.36 2.15 -0.51 -5.00 116.67 116.70 2ai6 s ASP 15 Ca -0.05 0.95 0.00 0.00 0.43 0.00 0.00 52.55 53.89 2ai6 s ASP 15 Cb -0.01 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.17 2ai6 s ASP 15 CO -0.05 -3.99 0.70 -1.20 -0.17 0.00 0.00 175.17 170.46 2ai6 n SER 16 N -4.72 0.00 0.15 -0.34 7.64 -1.26 -4.97 113.62 110.13 2ai6 n SER 16 Ca 0.09 -1.45 -0.00 0.00 1.01 0.00 0.00 58.87 58.52 2ai6 n SER 16 Cb 0.58 -0.09 0.25 0.00 -1.01 0.00 0.00 64.21 63.94 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2ai6 h ASP 17 N 0.00 0.03 0.00 6.43 3.58 -2.01 -3.47 116.42 120.98 2ai6 h ASP 17 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2ai6 h ASP 17 Cb 1.18 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2ai6 h ASP 17 CO 0.00 0.53 0.00 0.61 -2.88 0.00 0.00 179.24 177.50 2ai6 n GLY 18 N -0.07 -1.61 2.92 -0.78 0.00 -1.26 -5.14 105.19 99.25 2ai6 n GLY 18 Ca -0.02 0.58 -0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 0.13 1.61 1.01 -1.26 -3.83 120.40 118.04 2ai6 s VAL 19 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2ai6 s VAL 19 Cb 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.29 2ai6 s VAL 19 CO 0.00 0.03 0.76 0.72 0.00 0.00 0.00 175.10 176.61 2ai6 s PHE 20 N 0.53 -0.36 0.47 5.22 -0.71 -0.61 -4.81 117.98 117.70 2ai6 s PHE 20 Ca -0.04 0.11 -0.09 0.00 -1.04 0.00 0.00 56.93 55.87 2ai6 s PHE 20 Cb -0.06 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.30 2ai6 s PHE 20 CO -0.02 -0.83 0.82 0.15 -1.34 0.00 0.00 175.22 173.99 2ai6 s LYS 21 N -3.53 3.67 0.18 1.99 3.01 -1.26 -0.72 119.74 123.08 2ai6 s LYS 21 Ca 0.06 0.42 -0.01 0.00 -1.01 0.00 0.00 55.97 55.42 2ai6 s LYS 21 Cb -0.02 -2.34 -0.04 0.00 -1.01 0.00 0.00 37.83 34.43 2ai6 s LYS 21 CO -0.06 -0.18 0.12 1.52 0.51 0.00 0.00 175.35 177.26 2ai6 s TYR 22 N -2.63 1.06 0.04 3.18 1.13 -0.27 -2.59 117.35 117.27 2ai6 s TYR 22 Ca 0.50 -1.32 -0.05 0.00 -1.41 0.00 0.00 57.07 54.79 2ai6 s TYR 22 Cb -0.10 -0.52 -0.01 0.00 -1.10 0.00 0.00 41.96 40.23 2ai6 s TYR 22 CO 0.39 -0.62 0.09 0.54 -2.51 0.00 0.00 175.55 173.45 2ai6 s VAL 23 N -4.13 0.13 -0.20 -3.49 0.11 -0.27 -2.60 120.40 109.95 2ai6 s VAL 23 Ca 0.35 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2ai6 s VAL 23 Cb 0.07 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 2ai6 s VAL 23 CO 0.09 -0.59 -0.15 -0.22 -3.33 0.00 0.00 175.10 170.90 2ai6 s LEU 24 N -2.07 2.51 -0.05 2.54 2.96 -0.61 -2.62 118.68 121.34 2ai6 s LEU 24 Ca -0.06 -0.73 0.05 0.00 -0.22 0.00 0.00 54.13 53.17 2ai6 s LEU 24 Cb -0.02 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2ai6 s LEU 24 CO -0.04 -0.04 -0.21 0.27 -1.32 0.00 0.00 176.35 175.01 2ai6 s ILE 25 N 1.30 1.71 0.43 6.68 -4.36 -0.84 -0.48 121.20 125.63 2ai6 s ILE 25 Ca 0.03 -0.87 -0.22 0.00 -0.26 0.00 0.00 60.65 59.33 2ai6 s ILE 25 Cb -0.14 -1.46 -0.10 0.00 1.25 0.00 0.00 42.46 42.01 2ai6 s ILE 25 CO -0.10 0.48 1.00 -0.60 0.24 0.00 0.00 174.94 175.96 2ai6 s ARG 26 N 0.01 4.12 -0.05 0.37 3.52 0.32 -0.81 118.95 126.44 2ai6 s ARG 26 Ca -0.05 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.85 2ai6 s ARG 26 Cb -0.13 -2.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.98 2ai6 s ARG 26 CO 0.03 -0.14 -0.03 0.08 -0.81 0.00 0.00 175.30 174.43 2ai6 s VAL 27 N -1.94 0.48 0.12 7.11 1.01 0.29 -2.44 120.40 125.04 2ai6 s VAL 27 Ca 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2ai6 s VAL 27 Cb -0.15 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 2ai6 s VAL 27 CO 0.20 0.23 0.34 -1.00 0.00 0.00 0.00 175.10 174.87 2ai6 s HIS 28 N 1.24 3.49 -0.54 5.22 0.09 -0.52 -0.98 115.29 123.29 2ai6 s HIS 28 Ca -0.06 0.51 -0.26 0.00 -0.00 0.00 0.00 55.06 55.24 2ai6 s HIS 28 Cb -0.14 -1.96 -0.04 0.00 -0.00 0.00 0.00 32.58 30.44 2ai6 s HIS 28 CO -0.02 0.48 2.09 -1.12 -0.00 0.00 0.00 174.74 176.17 2ai6 s SER 29 N -2.38 4.96 0.00 1.40 0.01 -0.03 -4.13 113.70 113.53 2ai6 s SER 29 Ca 0.39 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.37 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 0.25 -2.54 0.67 0.00 0.41 0.00 0.00 173.24 172.02 2ai6 n ALA 30 N 13.89 1.93 -1.50 1.44 0.00 -1.26 -4.43 120.51 130.59 2ai6 n ALA 30 Ca 0.27 -0.39 -0.50 0.00 0.00 0.00 0.00 53.44 52.83 2ai6 n ALA 30 Cb 0.53 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 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 0.56 -1.93 0.00 -0.02 -1.26 -1.45 135.00 130.91 2ai6 n PRO 31 Ca 0.00 0.20 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 2ai6 n PRO 31 Cb 0.57 -1.49 -0.01 0.00 -0.02 0.00 0.00 33.50 32.55 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 1.27 -1.98 -2.86 -0.52 5.12 0.09 -1.47 116.66 116.31 2ai6 n ARG 32 Ca 0.16 0.34 -0.17 0.00 -1.93 0.00 0.00 57.85 56.25 2ai6 n ARG 32 Cb 0.23 -4.71 -0.00 0.00 -1.16 0.00 0.00 32.46 26.82 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 -0.84 -3.86 -0.53 0.55 7.64 -0.53 -4.82 113.62 111.23 2ai6 n SER 33 Ca -0.07 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2ai6 n SER 33 Cb 0.41 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 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 -0.99 0.62 3.74 0.23 0.00 -0.54 -5.12 105.19 103.13 2ai6 n GLY 34 Ca -0.08 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 2.46 -1.06 4.61 0.00 -1.19 -4.93 121.76 121.65 2ai6 s ALA 35 Ca 0.01 1.20 0.24 0.00 0.00 0.00 0.00 51.96 53.42 2ai6 s ALA 35 Cb 0.01 -3.54 1.07 0.00 0.00 0.00 0.00 23.12 20.66 2ai6 s ALA 35 CO -0.00 -1.50 1.78 -0.35 0.00 0.00 0.00 175.76 175.69 2ai6 n PRO 36 N -1.74 0.05 -3.14 0.00 -0.04 -1.26 -4.90 135.00 123.96 2ai6 n PRO 36 Ca 0.15 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 2ai6 n PRO 36 Cb 0.48 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.47 -0.73 -2.60 0.55 0.00 -1.26 -5.08 120.51 109.92 2ai6 n ALA 37 Ca 0.07 -1.04 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 2ai6 n ALA 37 Cb 0.27 0.84 0.02 0.00 0.00 0.00 0.00 19.45 20.58 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 -1.31 3.82 -1.28 0.00 0.00 -1.26 -4.65 120.51 115.83 2ai6 n ALA 38 Ca -0.11 -3.42 -0.13 0.00 0.00 0.00 0.00 53.44 49.78 2ai6 n ALA 38 Cb 0.42 -0.79 0.15 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.28 -1.78 -4.01 0.00 -0.58 -1.26 -4.73 120.64 108.00 2ai6 n GLU 39 Ca 0.19 -1.24 -0.08 0.00 -0.42 0.00 0.00 57.16 55.61 2ai6 n GLU 39 Cb 0.79 -1.01 -0.09 0.00 -0.57 0.00 0.00 31.44 30.56 2ai6 n GLU 39 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ai6 s SER 40 N -3.77 0.36 0.15 1.62 0.01 -1.26 -0.85 113.70 109.96 2ai6 s SER 40 Ca 0.48 -0.87 -0.00 0.00 1.31 0.00 0.00 55.95 56.87 2ai6 s SER 40 Cb -0.03 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2ai6 s SER 40 CO 0.36 -0.63 0.05 -1.59 0.41 0.00 0.00 173.24 171.84 2ai6 s LYS 41 N -3.82 1.00 0.05 12.44 -2.85 -0.16 -4.99 119.74 121.42 2ai6 s LYS 41 Ca 0.06 -1.49 0.05 0.00 -1.00 0.00 0.00 55.97 53.59 2ai6 s LYS 41 Cb 0.06 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 2ai6 s LYS 41 CO -0.10 -0.25 -0.08 -1.21 0.10 0.00 0.00 175.35 173.81 2ai6 s GLU 42 N -4.03 2.35 0.15 1.78 8.01 -1.26 -0.54 118.70 125.15 2ai6 s GLU 42 Ca 0.26 -0.87 0.08 0.00 0.01 0.00 0.00 54.97 54.45 2ai6 s GLU 42 Cb 0.07 -2.40 -0.04 0.00 -4.31 0.00 0.00 34.13 27.45 2ai6 s GLU 42 CO 0.04 0.55 -0.17 0.96 0.01 0.00 0.00 175.26 176.65 2ai6 s ILE 43 N -1.10 1.65 -0.20 -1.63 -4.36 0.01 -4.93 121.20 110.64 2ai6 s ILE 43 Ca 0.19 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2ai6 s ILE 43 Cb -0.11 -1.73 0.02 0.00 1.25 0.00 0.00 42.46 41.89 2ai6 s ILE 43 CO 0.11 -0.34 -0.16 -0.69 0.24 0.00 0.00 174.94 174.10 2ai6 s VAL 44 N -2.04 2.28 0.03 8.37 1.01 -0.50 -1.99 120.40 127.56 2ai6 s VAL 44 Ca 0.13 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2ai6 s VAL 44 Cb -0.06 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2ai6 s VAL 44 CO 0.05 0.46 -0.07 -0.13 0.00 0.00 0.00 175.10 175.41 2ai6 s ARG 45 N 1.30 0.48 0.00 2.72 1.81 -1.08 -2.48 118.95 121.69 2ai6 s ARG 45 Ca 0.04 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 2ai6 s ARG 45 Cb -0.14 -0.28 0.00 0.00 -0.45 0.00 0.00 34.95 34.08 2ai6 s ARG 45 CO -0.11 0.05 0.00 0.41 -0.68 0.00 0.00 175.30 174.98 2ai6 n GLY 46 N 1.83 1.26 3.39 -3.53 0.00 -1.24 -1.12 105.19 105.78 2ai6 n GLY 46 Ca -0.21 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.42 0.46 1.61 1.51 -1.07 -1.42 117.35 117.63 2ai6 s TYR 47 Ca 0.00 0.45 0.12 0.00 -1.01 0.00 0.00 57.07 56.63 2ai6 s TYR 47 Cb 0.00 0.34 1.05 0.00 -0.11 0.00 0.00 41.96 43.24 2ai6 s TYR 47 CO 0.00 -0.65 2.07 0.87 -1.11 0.00 0.00 175.55 176.73 2ai6 h LYS 48 N 2.76 0.20 -0.01 -0.62 1.57 -1.87 -2.44 116.57 116.15 2ai6 h LYS 48 Ca -0.31 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 2ai6 h LYS 48 Cb 1.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2ai6 h LYS 48 CO 0.41 0.18 -0.19 0.11 -0.57 0.00 0.00 179.45 179.40 2ai6 h TRP 49 N 0.20 0.02 -1.79 -1.35 5.08 -1.97 -3.19 115.95 112.96 2ai6 h TRP 49 Ca 0.05 -0.00 -0.72 0.00 1.08 0.00 0.00 58.89 59.30 2ai6 h TRP 49 Cb 0.07 -0.01 -0.15 0.00 -3.00 0.00 0.00 29.16 26.07 2ai6 h TRP 49 CO 0.00 0.21 1.58 0.00 -1.28 0.00 0.00 178.44 178.94 2ai6 s ALA 50 N -4.62 3.76 -0.30 0.11 0.00 -0.92 -4.80 121.76 114.99 2ai6 s ALA 50 Ca -0.04 -3.19 0.21 0.00 0.00 0.00 0.00 51.96 48.94 2ai6 s ALA 50 Cb 0.16 -4.28 1.08 0.00 0.00 0.00 0.00 23.12 20.08 2ai6 s ALA 50 CO 0.70 -2.95 1.64 0.39 0.00 0.00 0.00 175.76 175.55 2ai6 n GLU 51 N 6.52 0.14 -4.01 0.00 1.02 -1.21 -4.39 120.64 118.72 2ai6 n GLU 51 Ca 0.40 0.59 -0.13 0.00 -0.02 0.00 0.00 57.16 57.99 2ai6 n GLU 51 Cb 0.44 -1.92 -0.13 0.00 -0.02 0.00 0.00 31.44 29.81 2ai6 n GLU 51 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2ai6 s TYR 52 N -3.48 0.29 0.47 -0.32 1.13 -1.26 -4.91 117.35 109.27 2ai6 s TYR 52 Ca -0.01 -0.17 0.13 0.00 -1.41 0.00 0.00 57.07 55.61 2ai6 s TYR 52 Cb 0.07 -0.18 1.08 0.00 -1.10 0.00 0.00 41.96 41.82 2ai6 s TYR 52 CO 0.23 -0.04 2.09 0.45 -2.51 0.00 0.00 175.55 175.76 2ai6 h HIS 53 N 5.67 0.17 0.00 -3.49 3.86 -1.87 -1.16 115.15 118.33 2ai6 h HIS 53 Ca -0.28 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.91 2ai6 h HIS 53 Cb 1.20 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.61 2ai6 h HIS 53 CO 0.48 0.15 -0.10 0.00 0.86 0.00 0.00 177.93 179.31 2ai6 h ALA 54 N 1.87 1.71 -0.17 2.45 0.00 -1.96 -1.22 119.26 121.95 2ai6 h ALA 54 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2ai6 h ALA 54 Cb 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ai6 h ALA 54 CO -0.00 0.13 -0.03 0.22 0.00 0.00 0.00 179.25 179.56 2ai6 h ASP 55 N 0.00 0.32 -0.51 0.00 3.58 -1.58 -0.66 116.42 117.57 2ai6 h ASP 55 Ca -0.00 -0.35 -0.13 0.00 0.42 0.00 0.00 57.03 56.97 2ai6 h ASP 55 Cb 0.20 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2ai6 h ASP 55 CO 0.01 0.60 -0.17 0.16 -2.88 0.00 0.00 179.24 176.96 2ai6 h ILE 56 N 0.03 1.27 -0.21 2.25 3.07 -1.61 -1.18 117.51 121.13 2ai6 h ILE 56 Ca 0.04 -1.34 0.01 0.00 1.55 0.00 0.00 64.86 65.12 2ai6 h ILE 56 Cb 0.45 1.05 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 2ai6 h ILE 56 CO 0.01 0.47 0.13 0.22 -1.05 0.00 0.00 178.15 177.93 2ai6 h TYR 57 N 0.89 0.24 -0.11 0.16 3.20 -1.11 0.64 116.97 120.88 2ai6 h TYR 57 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2ai6 h TYR 57 Cb 0.75 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2ai6 h TYR 57 CO 0.05 0.15 0.06 0.22 -1.64 0.00 0.00 178.16 176.99 2ai6 h ASP 58 N 0.26 0.14 0.08 -2.11 3.58 -1.01 0.83 116.42 118.19 2ai6 h ASP 58 Ca 0.08 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2ai6 h ASP 58 Cb -0.01 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2ai6 h ASP 58 CO -0.03 0.21 -0.04 0.50 -2.88 0.00 0.00 179.24 176.99 2ai6 h LYS 59 N 0.07 -0.10 -0.05 0.28 3.64 -1.10 -1.08 116.57 118.23 2ai6 h LYS 59 Ca 0.04 0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.18 2ai6 h LYS 59 Cb 0.10 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2ai6 h LYS 59 CO -0.01 -0.04 -0.92 0.28 -2.27 0.00 0.00 179.45 176.49 2ai6 h VAL 60 N -0.14 1.29 -0.97 2.00 2.07 -0.80 -1.17 116.25 118.53 2ai6 h VAL 60 Ca -0.01 -2.14 0.03 0.00 0.82 0.00 0.00 66.70 65.40 2ai6 h VAL 60 Cb 0.11 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2ai6 h VAL 60 CO 0.02 0.66 0.64 -1.28 0.02 0.00 0.00 177.57 177.63 2ai6 h SER 61 N 0.41 1.08 -0.05 0.57 0.87 -0.85 0.61 113.55 116.18 2ai6 h SER 61 Ca -0.10 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2ai6 h SER 61 Cb 1.57 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.26 2ai6 h SER 61 CO 0.18 0.75 -0.05 1.23 -0.53 0.00 0.00 176.83 178.41 2ai6 h GLY 62 N 1.26 -0.00 0.95 5.77 0.00 -0.85 0.11 103.07 110.30 2ai6 h GLY 62 Ca 0.38 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 2ai6 h GLY 62 CO -0.11 -0.06 0.17 -1.80 0.00 0.00 0.00 176.54 174.74 2ai6 h ASP 63 N -0.07 0.48 -0.58 0.19 3.58 -0.74 0.38 116.42 119.66 2ai6 h ASP 63 Ca 0.04 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2ai6 h ASP 63 Cb 0.12 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2ai6 h ASP 63 CO -0.09 0.48 0.35 0.24 -2.88 0.00 0.00 179.24 177.33 2ai6 h MET 64 N 0.44 0.79 -0.15 0.28 2.86 -0.75 -0.65 114.93 117.76 2ai6 h MET 64 Ca 0.12 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2ai6 h MET 64 Cb 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2ai6 h MET 64 CO -0.01 0.57 -0.22 1.96 1.06 0.00 0.00 176.91 180.26 2ai6 h GLN 65 N 0.79 0.26 -0.59 1.72 1.08 -0.52 0.17 115.11 118.01 2ai6 h GLN 65 Ca 0.21 -0.08 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 2ai6 h GLN 65 Cb -0.02 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 2ai6 h GLN 65 CO -0.04 0.48 0.09 -0.22 -0.95 0.00 0.00 178.83 178.19 2ai6 h LYS 66 N 0.24 0.96 -0.38 1.46 3.11 -0.39 -2.13 116.57 119.43 2ai6 h LYS 66 Ca 0.04 -0.24 0.01 0.00 -2.81 0.00 0.00 60.65 57.65 2ai6 h LYS 66 Cb 0.53 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 2ai6 h LYS 66 CO 0.04 0.89 0.23 1.96 -2.81 0.00 0.00 179.45 179.76 2ai6 h GLN 67 N 0.90 0.46 0.00 1.90 1.08 -0.21 -3.46 115.11 115.78 2ai6 h GLN 67 Ca 0.18 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 2ai6 h GLN 67 Cb 0.40 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2ai6 h GLN 67 CO 0.01 0.31 0.00 0.41 -0.95 0.00 0.00 178.83 178.61 2ai6 n GLY 68 N -1.20 -0.08 3.61 3.46 0.00 -0.15 -0.73 105.19 110.11 2ai6 n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2ai6 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ASP 70 N -3.90 1.67 0.14 0.00 2.15 -1.26 -3.95 116.67 111.53 2ai6 s ASP 70 Ca 0.71 -0.35 -0.04 0.00 0.43 0.00 0.00 52.55 53.30 2ai6 s ASP 70 Cb -0.10 -0.15 -0.03 0.00 -0.30 0.00 0.00 42.92 42.34 2ai6 s ASP 70 CO 0.56 0.11 0.14 0.00 -0.17 0.00 0.00 175.17 175.82 2ai6 s GLU 72 N -4.01 0.53 -0.25 0.00 2.12 -1.02 -4.98 118.70 111.08 2ai6 s GLU 72 Ca 0.21 0.95 -0.29 0.00 0.36 0.00 0.00 54.97 56.20 2ai6 s GLU 72 Cb 0.06 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2ai6 s GLU 72 CO 0.01 -0.15 1.77 0.00 -0.54 0.00 0.00 175.26 176.35 2ai6 h LEU 74 N 12.77 0.00 0.00 0.00 3.38 -1.13 -3.48 115.31 126.84 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 1.01 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.46 2ai6 n GLY 75 N -0.45 -1.29 1.90 0.83 0.00 -1.21 -4.72 105.19 100.25 2ai6 n GLY 75 Ca -0.02 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 1.92 0.00 -0.02 0.00 -0.66 -1.57 105.19 104.86 2ai6 n GLY 76 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.29 -0.56 3.21 -0.02 0.00 -1.07 -1.67 105.19 104.78 2ai6 n GLY 77 Ca -0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.03 1.00 -0.05 1.61 1.70 -0.07 -1.11 118.95 122.00 2ai6 s ARG 78 Ca 0.00 -1.46 0.05 0.00 -0.47 0.00 0.00 55.73 53.85 2ai6 s ARG 78 Cb 0.00 -0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.18 2ai6 s ARG 78 CO 0.00 -0.11 -0.20 0.42 -1.08 0.00 0.00 175.30 174.33 2ai6 s ILE 79 N -3.69 1.65 0.26 4.99 1.01 0.10 -1.80 121.20 123.72 2ai6 s ILE 79 Ca 0.20 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 2ai6 s ILE 79 Cb 0.06 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.13 2ai6 s ILE 79 CO 0.01 0.47 0.60 -0.55 0.00 0.00 0.00 174.94 175.46 2ai6 s SER 80 N -0.02 -0.19 -0.13 3.58 0.15 -0.59 -1.58 113.70 114.92 2ai6 s SER 80 Ca -0.04 -0.73 0.15 0.00 0.70 0.00 0.00 55.95 56.03 2ai6 s SER 80 Cb -0.12 0.65 0.31 0.00 -1.71 0.00 0.00 66.02 65.15 2ai6 s SER 80 CO 0.03 -1.23 1.16 0.00 1.20 0.00 0.00 173.24 174.40 2ai6 n HIS 81 N -0.41 0.00 0.14 3.44 1.44 -1.25 -0.48 115.22 118.10 2ai6 n HIS 81 Ca -0.04 -1.00 0.01 0.00 -2.01 0.00 0.00 57.72 54.68 2ai6 n HIS 81 Cb 0.61 -0.17 0.05 0.00 0.12 0.00 0.00 29.99 30.60 2ai6 n HIS 81 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2ai6 n GLN 82 N -0.96 0.07 0.12 -1.40 6.02 -1.26 -3.05 117.38 116.92 2ai6 n GLN 82 Ca 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.19 2ai6 n GLN 82 Cb 0.72 -1.38 0.33 0.00 1.02 0.00 0.00 30.24 30.92 2ai6 n GLN 82 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ai6 n SER 83 N -0.88 0.31 -2.47 1.08 7.64 -1.26 -4.84 113.62 113.21 2ai6 n SER 83 Ca 0.01 0.57 -0.20 0.00 1.01 0.00 0.00 58.87 60.26 2ai6 n SER 83 Cb 0.01 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.64 2ai6 n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ai6 n GLN 84 N -1.93 -2.04 -3.51 1.43 6.02 -1.17 -4.98 117.38 111.20 2ai6 n GLN 84 Ca -0.01 0.96 -0.12 0.00 -0.01 0.00 0.00 57.00 57.82 2ai6 n GLN 84 Cb 0.19 -5.65 -0.04 0.00 1.02 0.00 0.00 30.24 25.76 2ai6 n GLN 84 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2ai6 s ASP 85 N -2.11 -0.47 0.57 1.08 2.15 -1.26 -5.05 116.67 111.58 2ai6 s ASP 85 Ca 0.03 0.01 0.28 0.00 0.43 0.00 0.00 52.55 53.31 2ai6 s ASP 85 Cb -0.01 0.54 1.73 0.00 -0.30 0.00 0.00 42.92 44.88 2ai6 s ASP 85 CO 0.04 -0.87 2.22 0.50 -0.17 0.00 0.00 175.17 176.89 2ai6 h LYS 86 N 2.32 0.00 -6.23 4.34 1.63 -1.93 -3.44 116.57 113.25 2ai6 h LYS 86 Ca -0.33 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.84 2ai6 h LYS 86 Cb 1.27 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2ai6 h LYS 86 CO 0.41 0.02 1.11 1.17 -3.45 0.00 0.00 179.45 178.71 2ai6 n LYS 87 N -3.88 2.00 -1.16 1.90 4.81 -1.26 -4.92 118.16 115.66 2ai6 n LYS 87 Ca -0.03 0.72 -0.31 0.00 -0.87 0.00 0.00 58.31 57.82 2ai6 n LYS 87 Cb 0.10 -2.60 0.11 0.00 0.02 0.00 0.00 35.03 32.67 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2ai6 s ILE 88 N 4.36 2.95 0.03 3.15 -1.09 -0.53 -4.66 121.20 125.41 2ai6 s ILE 88 Ca 0.95 0.32 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 2ai6 s ILE 88 Cb -0.73 -2.70 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2ai6 s ILE 88 CO 0.53 -0.39 -0.05 -2.28 -1.23 0.00 0.00 174.94 171.52 2ai6 s HIS 89 N -2.76 0.41 -0.13 3.97 2.46 0.37 -0.65 115.29 118.96 2ai6 s HIS 89 Ca 0.64 -0.47 -0.01 0.00 0.47 0.00 0.00 55.06 55.69 2ai6 s HIS 89 Cb -0.19 -0.26 0.03 0.00 -0.13 0.00 0.00 32.58 32.03 2ai6 s HIS 89 CO 0.55 -0.13 -0.06 0.08 -2.47 0.00 0.00 174.74 172.71 2ai6 s VAL 90 N -1.30 0.98 0.00 0.89 1.01 -0.35 -1.54 120.40 120.09 2ai6 s VAL 90 Ca -0.12 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2ai6 s VAL 90 Cb -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2ai6 s VAL 90 CO -0.00 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.35 2ai6 n TYR 91 N 4.94 -0.78 -4.26 5.22 4.11 -0.74 -2.34 117.16 123.31 2ai6 n TYR 91 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.78 2ai6 n TYR 91 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.83 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 0.00 -1.04 3.31 -7.48 0.00 -0.05 -0.89 105.19 99.04 2ai6 n GLY 92 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.27 0.20 1.61 1.13 -1.26 -4.71 117.35 114.04 2ai6 s TYR 93 Ca 0.00 0.34 -0.30 0.00 -1.41 0.00 0.00 57.07 55.70 2ai6 s TYR 93 Cb 0.00 0.19 -0.08 0.00 -1.10 0.00 0.00 41.96 40.97 2ai6 s TYR 93 CO 0.00 -0.51 1.01 -1.54 -2.51 0.00 0.00 175.55 172.01 2ai6 s SER 94 N -1.65 7.45 0.31 -0.18 1.04 -0.67 -4.55 113.70 115.44 2ai6 s SER 94 Ca -0.09 2.00 0.03 0.00 0.48 0.00 0.00 55.95 58.37 2ai6 s SER 94 Cb -0.02 -2.61 0.51 0.00 0.10 0.00 0.00 66.02 64.01 2ai6 s SER 94 CO 0.02 -0.05 1.82 -0.03 0.98 0.00 0.00 173.24 175.98 2ai6 h MET 95 N 4.73 0.55 -0.12 4.02 4.05 -1.93 -0.54 114.93 125.68 2ai6 h MET 95 Ca -0.45 -0.14 -0.21 0.00 -0.28 0.00 0.00 59.70 58.62 2ai6 h MET 95 Cb 1.21 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2ai6 h MET 95 CO 0.70 0.62 -0.76 0.00 0.23 0.00 0.00 176.91 177.70 2ai6 h ALA 96 N 1.42 0.42 0.00 0.39 0.00 -2.00 -3.39 119.26 116.10 2ai6 h ALA 96 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ai6 h ALA 96 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ai6 h ALA 96 CO 0.02 0.72 0.00 0.66 0.00 0.00 0.00 179.25 180.65 2ai6 n TYR 97 N -3.89 0.00 -1.92 0.00 4.01 -1.23 -5.14 117.16 108.99 2ai6 n TYR 97 Ca -0.06 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 2ai6 n TYR 97 Cb 0.73 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.76 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 -0.06 -2.18 3.76 2.72 0.00 -0.21 -4.50 105.19 104.71 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 -0.54 4.43 1.11 1.61 0.04 -1.26 -1.66 135.00 138.74 2ai6 s PRO 99 Ca 0.00 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 2ai6 s PRO 99 Cb 0.00 -3.14 0.25 0.00 0.04 0.00 0.00 34.50 31.65 2ai6 s PRO 99 CO 0.00 -0.11 1.15 0.00 0.04 0.00 0.00 177.00 178.08 2ai6 s ALA 100 N -0.78 1.04 0.35 8.56 0.00 -0.85 -4.49 121.76 125.59 2ai6 s ALA 100 Ca 0.50 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2ai6 s ALA 100 Cb -0.37 -2.90 0.66 0.00 0.00 0.00 0.00 23.12 20.51 2ai6 s ALA 100 CO 0.46 -3.19 1.90 1.96 0.00 0.00 0.00 175.76 176.89 2ai6 h GLN 101 N -2.25 0.49 0.00 0.00 1.08 -1.92 -3.47 115.11 109.04 2ai6 h GLN 101 Ca -0.46 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 2ai6 h GLN 101 Cb 1.29 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 2ai6 h GLN 101 CO 0.40 0.50 0.00 0.72 -0.95 0.00 0.00 178.83 179.50 2ai6 n HIS 102 N -4.30 0.00 -0.31 2.96 8.25 -1.26 -4.64 115.22 115.92 2ai6 n HIS 102 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2ai6 n HIS 102 Cb 0.23 -0.01 0.13 0.00 1.12 0.00 0.00 29.99 31.46 2ai6 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ai6 h ALA 103 N 0.00 1.16 -0.42 -1.41 0.00 -1.96 -1.87 119.26 114.76 2ai6 h ALA 103 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 103 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2ai6 h ALA 103 CO 0.00 0.31 0.23 0.82 0.00 0.00 0.00 179.25 180.60 2ai6 h ILE 104 N 1.00 1.00 0.12 0.00 5.03 -2.00 -1.87 117.51 120.79 2ai6 h ILE 104 Ca 0.37 -0.16 0.01 0.00 -0.12 0.00 0.00 64.86 64.96 2ai6 h ILE 104 Cb 0.13 0.50 -0.03 0.00 -3.03 0.00 0.00 36.82 34.39 2ai6 h ILE 104 CO -0.16 0.08 -0.22 0.28 -0.68 0.00 0.00 178.15 177.46 2ai6 h SER 105 N 0.46 -0.61 -0.43 1.72 0.02 -1.74 -0.13 113.55 112.84 2ai6 h SER 105 Ca 0.18 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 2ai6 h SER 105 Cb 0.06 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2ai6 h SER 105 CO -0.11 -0.30 0.14 0.71 -1.14 0.00 0.00 176.83 176.13 2ai6 h THR 106 N -0.41 0.85 -0.16 -2.27 1.35 -1.21 0.69 112.91 111.76 2ai6 h THR 106 Ca 0.02 -0.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2ai6 h THR 106 Cb 0.43 0.52 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 2ai6 h THR 106 CO -0.12 0.06 0.03 -0.33 -0.25 0.00 0.00 175.52 174.91 2ai6 h GLU 107 N 0.31 0.26 -0.17 4.72 5.08 -0.99 -0.94 114.58 122.84 2ai6 h GLU 107 Ca 0.20 -0.06 -0.20 0.00 -1.00 0.00 0.00 59.36 58.30 2ai6 h GLU 107 Cb 0.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2ai6 h GLU 107 CO -0.21 0.42 -0.70 0.87 -1.00 0.00 0.00 179.01 178.39 2ai6 h LYS 108 N 0.05 0.70 -0.40 2.33 1.57 -0.84 -0.50 116.57 119.48 2ai6 h LYS 108 Ca 0.05 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2ai6 h LYS 108 Cb 0.28 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2ai6 h LYS 108 CO 0.00 1.14 0.22 0.82 -0.57 0.00 0.00 179.45 181.06 2ai6 h ILE 109 N 0.50 1.15 -0.82 1.86 2.04 -0.87 -0.66 117.51 120.71 2ai6 h ILE 109 Ca -0.03 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2ai6 h ILE 109 Cb 1.30 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2ai6 h ILE 109 CO 0.14 0.16 0.37 0.11 0.00 0.00 0.00 178.15 178.93 2ai6 h LYS 110 N 0.51 1.19 -0.28 2.37 1.57 -0.95 0.21 116.57 121.19 2ai6 h LYS 110 Ca 0.14 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2ai6 h LYS 110 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2ai6 h LYS 110 CO -0.02 0.93 0.12 0.00 -0.57 0.00 0.00 179.45 179.91 2ai6 h ALA 111 N 1.20 0.36 0.00 3.86 0.00 -0.80 -3.08 119.26 120.80 2ai6 h ALA 111 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2ai6 h ALA 111 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ai6 h ALA 111 CO -0.03 -0.05 -0.31 0.87 0.00 0.00 0.00 179.25 179.72 2ai6 h LYS 112 N 0.31 0.00 -6.82 0.00 1.79 -0.93 -3.49 116.57 107.44 2ai6 h LYS 112 Ca 0.10 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.02 2ai6 h LYS 112 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2ai6 h LYS 112 CO -0.01 0.31 -1.02 0.98 -1.08 0.00 0.00 179.45 178.64 2ai6 n TYR 113 N -3.19 -1.63 0.25 -1.35 9.36 0.73 -4.89 117.16 116.45 2ai6 n TYR 113 Ca 0.03 0.32 0.13 0.00 3.32 0.00 0.00 57.90 61.69 2ai6 n TYR 113 Cb 0.65 -2.84 0.65 0.00 -0.63 0.00 0.00 39.34 37.16 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 -1.91 0.00 0.00 2.98 0.13 -1.92 -3.42 132.00 127.87 2ai6 h PRO 114 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 2ai6 h PRO 114 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2ai6 h PRO 114 CO 0.47 0.14 0.00 -3.47 -0.23 0.00 0.00 178.00 174.91 2ai6 n ASP 115 N -3.42 0.00 -3.51 1.44 2.03 -1.26 -5.12 116.55 106.70 2ai6 n ASP 115 Ca -0.01 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.22 2ai6 n ASP 115 Cb 0.31 0.26 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 2ai6 n ASP 115 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2ai6 s TYR 116 N -1.65 0.04 0.84 -0.67 5.04 -1.26 -5.17 117.35 114.52 2ai6 s TYR 116 Ca 0.00 -0.56 -0.11 0.00 -2.44 0.00 0.00 57.07 53.97 2ai6 s TYR 116 Cb 0.00 0.66 0.10 0.00 0.35 0.00 0.00 41.96 43.07 2ai6 s TYR 116 CO 0.00 -1.33 1.10 -2.00 -1.34 0.00 0.00 175.55 171.99 2ai6 s GLU 117 N -3.32 1.70 0.12 4.97 2.12 -1.26 -4.86 118.70 118.17 2ai6 s GLU 117 Ca 0.15 1.17 -0.07 0.00 0.36 0.00 0.00 54.97 56.58 2ai6 s GLU 117 Cb -0.05 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.50 2ai6 s GLU 117 CO 0.09 -2.04 0.19 0.54 -0.54 0.00 0.00 175.26 173.51 2ai6 s VAL 118 N -2.84 0.11 0.27 3.70 0.11 -1.26 -1.45 120.40 119.04 2ai6 s VAL 118 Ca 0.63 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2ai6 s VAL 118 Cb -0.19 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 2ai6 s VAL 118 CO 0.57 -0.51 0.27 0.42 -3.33 0.00 0.00 175.10 172.52 2ai6 s THR 119 N -3.94 0.00 0.18 5.04 -4.23 0.18 -4.87 115.64 108.00 2ai6 s THR 119 Ca 0.13 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 2ai6 s THR 119 Cb 0.05 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 2ai6 s THR 119 CO -0.05 0.00 0.26 -1.66 -0.54 0.00 0.00 174.62 172.63 2ai6 s TRP 120 N -3.73 0.63 -0.09 3.99 1.48 -1.26 -1.21 118.94 118.75 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 0.03 -0.18 0.03 0.00 -1.16 0.00 0.00 33.47 32.19 2ai6 s TRP 120 CO 0.18 -0.73 0.31 0.00 -4.06 0.00 0.00 176.95 172.66 2ai6 s ALA 121 N -4.03 -0.78 -0.25 2.67 0.00 -0.99 -4.92 121.76 113.46 2ai6 s ALA 121 Ca 0.24 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 2ai6 s ALA 121 Cb 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2ai6 s ALA 121 CO 0.05 -0.19 2.40 -1.71 0.00 0.00 0.00 175.76 176.32 2ai6 n ASN 122 N 2.39 6.10 -0.52 0.00 5.15 -1.26 -4.42 115.26 122.70 2ai6 n ASN 122 Ca -0.16 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 2ai6 n ASN 122 Cb 0.57 -1.16 0.00 0.00 -0.53 0.00 0.00 39.78 38.66 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 0.97 0.00 0.00 1.20 2.03 -1.26 -5.02 116.55 114.47 2ai6 n ASP 123 Ca 0.31 -0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.10 2ai6 n ASP 123 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2ai6 n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 124 N 0.00 -2.45 0.00 0.27 0.00 -1.26 -0.87 105.19 100.88 2ai6 n GLY 124 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60