#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai6 n ALA 2 N 0.00 -1.35 -1.13 -5.12 0.00 -1.26 -5.01 120.51 106.65 2ai6 n ALA 2 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 53.44 52.43 2ai6 n ALA 2 Cb 0.00 -2.14 0.11 0.00 0.00 0.00 0.00 19.45 17.42 2ai6 n ALA 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ai6 s VAL 3 N -2.58 2.98 1.02 0.00 -7.23 -1.26 -5.05 120.40 108.29 2ai6 s VAL 3 Ca 0.67 0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 61.05 2ai6 s VAL 3 Cb -0.23 -2.70 0.20 0.00 0.56 0.00 0.00 36.38 34.21 2ai6 s VAL 3 CO 0.60 -0.41 1.08 0.00 -0.31 0.00 0.00 175.10 176.05 2ai6 s ALA 4 N -2.80 0.67 0.02 1.32 0.00 -1.26 -5.08 121.76 114.62 2ai6 s ALA 4 Ca 0.63 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.36 2ai6 s ALA 4 Cb -0.19 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 2ai6 s ALA 4 CO 0.56 -3.04 0.13 0.34 0.00 0.00 0.00 175.76 173.74 2ai6 s ASP 5 N -3.11 0.07 0.49 0.00 2.15 -1.26 -4.66 116.67 110.35 2ai6 s ASP 5 Ca 0.66 -0.32 0.24 0.00 0.43 0.00 0.00 52.55 53.56 2ai6 s ASP 5 Cb -0.21 0.22 1.29 0.00 -0.30 0.00 0.00 42.92 43.92 2ai6 s ASP 5 CO 0.60 -0.43 1.91 -0.07 -0.17 0.00 0.00 175.17 177.01 2ai6 h LEU 6 N 4.01 0.17 -0.68 -1.34 3.38 -1.97 0.60 115.31 119.50 2ai6 h LEU 6 Ca -0.31 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2ai6 h LEU 6 Cb 1.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2ai6 h LEU 6 CO 0.44 0.08 -0.34 0.00 0.09 0.00 0.00 178.44 178.71 2ai6 h ALA 7 N 1.63 0.90 0.00 1.53 0.00 -2.03 -3.22 119.26 118.08 2ai6 h ALA 7 Ca 0.39 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2ai6 h ALA 7 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ai6 h ALA 7 CO -0.07 0.42 -0.69 -0.07 0.00 0.00 0.00 179.25 178.84 2ai6 h LEU 8 N 0.00 0.00 -9.71 0.00 3.38 -1.30 -3.46 115.31 104.22 2ai6 h LEU 8 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 2ai6 h LEU 8 Cb 0.99 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.82 2ai6 h LEU 8 CO 0.04 0.02 0.85 -0.38 0.09 0.00 0.00 178.44 179.06 2ai6 n ILE 9 N -2.82 0.75 -1.49 1.22 5.41 -1.05 -4.89 119.36 116.50 2ai6 n ILE 9 Ca 0.01 -0.19 -0.50 0.00 1.00 0.00 0.00 62.75 63.07 2ai6 n ILE 9 Cb 0.55 -1.85 -0.07 0.00 -0.71 0.00 0.00 39.64 37.56 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ai6 n PRO 10 N 2.55 1.24 0.09 0.38 -0.02 -1.26 -4.86 135.00 133.11 2ai6 n PRO 10 Ca 0.11 0.36 -0.15 0.00 -2.02 0.00 0.00 63.50 61.80 2ai6 n PRO 10 Cb 0.35 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 2ai6 n PRO 10 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2ai6 h ASP 11 N 12.18 0.51 -3.71 2.55 3.58 -1.91 -3.45 116.42 126.17 2ai6 h ASP 11 Ca -0.31 -0.47 -0.30 0.00 0.42 0.00 0.00 57.03 56.37 2ai6 h ASP 11 Cb 1.31 -0.16 -0.30 0.00 1.72 0.00 0.00 39.33 41.90 2ai6 h ASP 11 CO 1.01 1.30 -0.74 -0.69 -2.88 0.00 0.00 179.24 177.24 2ai6 s VAL 12 N -3.01 0.20 -0.29 2.25 1.01 -1.26 -1.66 120.40 117.64 2ai6 s VAL 12 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.89 2ai6 s VAL 12 Cb 0.08 -0.22 0.15 0.00 0.00 0.00 0.00 36.38 36.40 2ai6 s VAL 12 CO 0.88 0.09 0.38 -0.62 0.00 0.00 0.00 175.10 175.83 2ai6 s ASP 13 N 0.31 0.67 0.25 3.32 2.15 -0.76 -4.98 116.67 117.64 2ai6 s ASP 13 Ca -0.03 -0.41 -0.04 0.00 0.43 0.00 0.00 52.55 52.50 2ai6 s ASP 13 Cb -0.05 0.97 -0.02 0.00 -0.30 0.00 0.00 42.92 43.51 2ai6 s ASP 13 CO -0.01 -0.36 0.31 0.27 -0.17 0.00 0.00 175.17 175.21 2ai6 s ILE 14 N 2.50 0.00 -0.30 4.11 -4.36 -1.26 -3.52 121.20 118.36 2ai6 s ILE 14 Ca 0.10 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.72 2ai6 s ILE 14 Cb -0.13 -2.44 0.10 0.00 1.25 0.00 0.00 42.46 41.24 2ai6 s ILE 14 CO -0.29 0.00 0.09 -0.62 0.24 0.00 0.00 174.94 174.36 2ai6 s ASP 15 N -3.16 3.98 0.20 4.36 2.15 -1.26 -5.01 116.67 117.94 2ai6 s ASP 15 Ca 0.33 -1.60 0.14 0.00 0.43 0.00 0.00 52.55 51.86 2ai6 s ASP 15 Cb 0.03 -0.86 0.77 0.00 -0.30 0.00 0.00 42.92 42.55 2ai6 s ASP 15 CO 0.14 -0.41 1.44 -1.20 -0.17 0.00 0.00 175.17 174.98 2ai6 n SER 16 N 4.85 0.37 0.09 -0.34 7.64 -1.26 -1.37 113.62 123.60 2ai6 n SER 16 Ca -0.02 0.67 0.12 0.00 1.01 0.00 0.00 58.87 60.64 2ai6 n SER 16 Cb 0.42 -0.72 0.45 0.00 -1.01 0.00 0.00 64.21 63.36 2ai6 n SER 16 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ai6 n ASP 17 N -1.99 0.61 -4.81 6.43 2.03 -1.26 -4.91 116.55 112.64 2ai6 n ASP 17 Ca -0.01 0.59 -0.29 0.00 0.52 0.00 0.00 54.79 55.60 2ai6 n ASP 17 Cb 0.03 -0.74 -0.05 0.00 -0.72 0.00 0.00 41.12 39.64 2ai6 n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2ai6 s GLY 18 N -3.46 2.67 -0.04 0.27 0.00 -0.47 -5.14 107.32 101.16 2ai6 s GLY 18 Ca 0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 2ai6 s GLY 18 CO 0.50 -2.06 0.02 0.14 0.00 0.00 0.00 173.10 171.70 2ai6 s VAL 19 N -2.80 0.12 0.08 1.40 1.01 -1.26 -4.74 120.40 114.21 2ai6 s VAL 19 Ca 0.22 0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.15 2ai6 s VAL 19 Cb 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 36.18 2ai6 s VAL 19 CO 0.13 0.18 1.05 0.72 0.00 0.00 0.00 175.10 177.18 2ai6 s PHE 20 N 1.66 -0.13 0.67 5.22 -0.12 -0.80 -4.80 117.98 119.69 2ai6 s PHE 20 Ca -0.01 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.66 2ai6 s PHE 20 Cb -0.13 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 2ai6 s PHE 20 CO -0.03 -0.64 1.05 0.15 -0.05 0.00 0.00 175.22 175.70 2ai6 s LYS 21 N -3.02 3.14 0.17 1.99 1.02 -1.26 -0.73 119.74 121.04 2ai6 s LYS 21 Ca 0.12 0.84 -0.04 0.00 0.02 0.00 0.00 55.97 56.91 2ai6 s LYS 21 Cb 0.00 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2ai6 s LYS 21 CO -0.01 -0.93 0.18 1.52 -0.92 0.00 0.00 175.35 175.19 2ai6 s TYR 22 N -3.12 0.78 0.05 3.18 1.13 0.06 -2.99 117.35 116.44 2ai6 s TYR 22 Ca 0.57 -1.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.05 2ai6 s TYR 22 Cb -0.13 -0.33 -0.00 0.00 -1.10 0.00 0.00 41.96 40.40 2ai6 s TYR 22 CO 0.54 -0.65 0.15 0.54 -2.51 0.00 0.00 175.55 173.62 2ai6 s VAL 23 N -4.06 0.13 -0.21 -3.49 0.11 -0.35 -2.44 120.40 110.09 2ai6 s VAL 23 Ca 0.27 -1.04 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2ai6 s VAL 23 Cb 0.05 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 2ai6 s VAL 23 CO 0.05 -0.57 -0.15 -0.22 -3.33 0.00 0.00 175.10 170.87 2ai6 s LEU 24 N -2.22 2.56 -0.07 2.54 2.96 -1.01 -2.62 118.68 120.81 2ai6 s LEU 24 Ca -0.03 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.11 2ai6 s LEU 24 Cb -0.00 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.17 2ai6 s LEU 24 CO -0.05 -0.05 -0.12 -0.51 -1.32 0.00 0.00 176.35 174.29 2ai6 s ILE 25 N 1.28 1.18 0.40 6.68 -1.16 -0.90 -0.55 121.20 128.13 2ai6 s ILE 25 Ca 0.02 -0.49 -0.23 0.00 -0.51 0.00 0.00 60.65 59.44 2ai6 s ILE 25 Cb -0.15 -1.09 -0.09 0.00 0.61 0.00 0.00 42.46 41.74 2ai6 s ILE 25 CO -0.10 0.37 1.01 -0.60 -2.81 0.00 0.00 174.94 172.82 2ai6 s ARG 26 N 0.77 4.19 -0.02 3.50 3.52 0.47 -0.60 118.95 130.78 2ai6 s ARG 26 Ca -0.13 1.40 0.04 0.00 -0.13 0.00 0.00 55.73 56.91 2ai6 s ARG 26 Cb -0.16 -2.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2ai6 s ARG 26 CO 0.03 -0.10 -0.14 0.08 -0.81 0.00 0.00 175.30 174.36 2ai6 s VAL 27 N -1.78 1.10 -0.02 7.11 1.01 0.45 -1.80 120.40 126.48 2ai6 s VAL 27 Ca 0.59 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2ai6 s VAL 27 Cb -0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 2ai6 s VAL 27 CO 0.23 0.32 -0.03 -1.00 0.00 0.00 0.00 175.10 174.62 2ai6 s HIS 28 N -0.24 3.02 -0.43 5.22 0.09 -0.16 -1.67 115.29 121.12 2ai6 s HIS 28 Ca 0.04 0.05 -0.28 0.00 -0.00 0.00 0.00 55.06 54.87 2ai6 s HIS 28 Cb -0.06 -1.67 -0.02 0.00 -0.00 0.00 0.00 32.58 30.82 2ai6 s HIS 28 CO -0.00 0.42 1.86 -1.54 -0.00 0.00 0.00 174.74 175.48 2ai6 s SER 29 N -1.34 5.59 0.00 1.40 1.04 -0.35 -3.79 113.70 116.24 2ai6 s SER 29 Ca 0.17 0.99 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2ai6 s SER 29 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2ai6 s SER 29 CO 0.07 -2.00 0.60 0.00 0.98 0.00 0.00 173.24 172.89 2ai6 n ALA 30 N 11.47 1.72 -1.50 5.32 0.00 -1.26 -4.53 120.51 131.73 2ai6 n ALA 30 Ca 0.23 -0.41 -0.50 0.00 0.00 0.00 0.00 53.44 52.76 2ai6 n ALA 30 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.72 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 0.54 -2.14 0.00 -0.02 -1.26 -1.46 135.00 130.66 2ai6 n PRO 31 Ca 0.00 0.19 -0.05 0.00 -2.02 0.00 0.00 63.50 61.62 2ai6 n PRO 31 Cb 0.57 -1.51 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 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 -2.27 -2.74 -0.52 1.74 0.28 -1.75 116.66 112.74 2ai6 n ARG 32 Ca 0.17 0.28 -0.15 0.00 -0.77 0.00 0.00 57.85 57.37 2ai6 n ARG 32 Cb 0.22 -4.71 -0.00 0.00 -1.02 0.00 0.00 32.46 26.95 2ai6 n ARG 32 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ai6 n SER 33 N -1.12 -3.80 -0.29 0.55 7.64 -0.53 -4.82 113.62 111.24 2ai6 n SER 33 Ca -0.06 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2ai6 n SER 33 Cb 0.46 -3.21 0.00 0.00 -1.01 0.00 0.00 64.21 60.45 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 -0.93 -0.94 3.74 0.23 0.00 -0.72 -5.10 105.19 101.48 2ai6 n GLY 34 Ca -0.10 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 2.62 -0.90 4.61 0.00 -1.22 -4.91 121.76 121.96 2ai6 s ALA 35 Ca 0.00 1.23 0.25 0.00 0.00 0.00 0.00 51.96 53.44 2ai6 s ALA 35 Cb 0.00 -3.54 1.01 0.00 0.00 0.00 0.00 23.12 20.59 2ai6 s ALA 35 CO 0.00 -1.40 1.80 -0.35 0.00 0.00 0.00 175.76 175.81 2ai6 n PRO 36 N -1.41 0.08 -3.67 0.00 -0.04 -1.26 -4.92 135.00 123.78 2ai6 n PRO 36 Ca 0.13 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2ai6 n PRO 36 Cb 0.47 -1.60 -0.00 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.59 -0.93 -2.53 0.55 0.00 -1.26 -5.08 120.51 109.68 2ai6 n ALA 37 Ca 0.06 -1.34 -0.21 0.00 0.00 0.00 0.00 53.44 51.95 2ai6 n ALA 37 Cb 0.32 1.07 0.01 0.00 0.00 0.00 0.00 19.45 20.86 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 -0.83 4.49 -1.56 0.00 0.00 -1.26 -4.61 120.51 116.74 2ai6 n ALA 38 Ca -0.14 -3.89 -0.29 0.00 0.00 0.00 0.00 53.44 49.12 2ai6 n ALA 38 Cb 0.54 -0.67 0.16 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.41 0.64 0.04 0.00 0.41 -1.26 -4.80 118.70 110.32 2ai6 s GLU 39 Ca 0.41 0.06 -0.06 0.00 -0.41 0.00 0.00 54.97 54.97 2ai6 s GLU 39 Cb 0.42 -1.80 -0.01 0.00 -1.78 0.00 0.00 34.13 30.96 2ai6 s GLU 39 CO -0.10 -2.49 0.12 -1.12 -0.49 0.00 0.00 175.26 171.17 2ai6 s SER 40 N -4.22 0.16 0.22 -0.19 0.01 -1.26 -1.21 113.70 107.21 2ai6 s SER 40 Ca 0.67 -0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.22 2ai6 s SER 40 Cb -0.11 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.39 2ai6 s SER 40 CO 0.53 -0.55 0.58 -1.59 0.41 0.00 0.00 173.24 172.62 2ai6 s LYS 41 N -2.80 1.51 0.18 12.44 0.00 -0.67 -4.99 119.74 125.41 2ai6 s LYS 41 Ca -0.03 -0.92 0.06 0.00 0.00 0.00 0.00 55.97 55.08 2ai6 s LYS 41 Cb 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 2ai6 s LYS 41 CO -0.05 -0.66 0.09 -1.21 0.00 0.00 0.00 175.35 173.52 2ai6 s GLU 42 N -3.90 2.72 0.12 1.78 8.01 -1.26 -0.42 118.70 125.76 2ai6 s GLU 42 Ca 0.11 -0.99 0.05 0.00 0.01 0.00 0.00 54.97 54.15 2ai6 s GLU 42 Cb -0.02 -2.52 -0.04 0.00 -4.31 0.00 0.00 34.13 27.23 2ai6 s GLU 42 CO 0.01 0.46 -0.13 0.96 0.01 0.00 0.00 175.26 176.57 2ai6 s ILE 43 N -1.81 1.23 -0.18 -1.63 -4.36 0.23 -4.95 121.20 109.72 2ai6 s ILE 43 Ca 0.30 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 2ai6 s ILE 43 Cb -0.09 -1.52 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2ai6 s ILE 43 CO 0.22 -0.48 -0.17 -0.69 0.24 0.00 0.00 174.94 174.06 2ai6 s VAL 44 N -2.31 2.38 0.06 8.37 1.01 -0.66 -2.11 120.40 127.12 2ai6 s VAL 44 Ca 0.09 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2ai6 s VAL 44 Cb -0.04 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2ai6 s VAL 44 CO 0.02 0.52 -0.13 -0.13 0.00 0.00 0.00 175.10 175.38 2ai6 s ARG 45 N 1.19 0.79 -0.30 2.72 1.81 -1.08 -1.82 118.95 122.26 2ai6 s ARG 45 Ca 0.02 -0.86 -0.18 0.00 -1.72 0.00 0.00 55.73 52.99 2ai6 s ARG 45 Cb -0.14 -0.76 0.20 0.00 -0.45 0.00 0.00 34.95 33.81 2ai6 s ARG 45 CO -0.08 0.17 1.28 0.20 -0.68 0.00 0.00 175.30 176.19 2ai6 s GLY 46 N -1.54 0.57 0.01 -3.53 0.00 -1.23 -1.21 107.32 100.38 2ai6 s GLY 46 Ca -0.02 3.76 -0.21 0.00 0.00 0.00 0.00 44.72 48.25 2ai6 s GLY 46 CO 0.02 2.63 0.47 -0.19 0.00 0.00 0.00 173.10 176.02 2ai6 s TYR 47 N 0.88 -0.36 0.45 1.90 1.51 -1.16 -4.47 117.35 116.10 2ai6 s TYR 47 Ca -0.06 0.47 0.11 0.00 -1.01 0.00 0.00 57.07 56.59 2ai6 s TYR 47 Cb -0.03 0.26 1.00 0.00 -0.11 0.00 0.00 41.96 43.08 2ai6 s TYR 47 CO -0.11 -0.56 2.05 -0.22 -1.11 0.00 0.00 175.55 175.60 2ai6 h LYS 48 N 3.13 0.22 0.00 -0.62 3.64 -1.87 -2.12 116.57 118.95 2ai6 h LYS 48 Ca -0.30 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2ai6 h LYS 48 Cb 1.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2ai6 h LYS 48 CO 0.41 0.22 -0.14 0.11 -2.27 0.00 0.00 179.45 177.78 2ai6 h TRP 49 N 0.23 0.00 -1.66 1.91 5.08 -1.97 -3.33 115.95 116.21 2ai6 h TRP 49 Ca 0.06 0.00 -0.65 0.00 1.08 0.00 0.00 58.89 59.37 2ai6 h TRP 49 Cb 0.10 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.13 2ai6 h TRP 49 CO 0.00 0.14 1.31 0.00 -1.28 0.00 0.00 178.44 178.61 2ai6 s ALA 50 N -4.26 3.12 -1.45 0.11 0.00 -0.80 -4.82 121.76 113.67 2ai6 s ALA 50 Ca -0.03 -2.61 0.14 0.00 0.00 0.00 0.00 51.96 49.46 2ai6 s ALA 50 Cb 0.14 -4.33 0.69 0.00 0.00 0.00 0.00 23.12 19.62 2ai6 s ALA 50 CO 0.61 -3.28 1.36 0.39 0.00 0.00 0.00 175.76 174.84 2ai6 n GLU 51 N 7.69 0.20 -3.76 0.00 1.02 -1.25 -4.40 120.64 120.14 2ai6 n GLU 51 Ca 0.31 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.47 2ai6 n GLU 51 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.55 -0.22 0.39 -0.32 1.13 -1.26 -5.01 117.35 109.52 2ai6 s TYR 52 Ca 0.13 0.40 0.06 0.00 -1.41 0.00 0.00 57.07 56.26 2ai6 s TYR 52 Cb 0.09 0.10 0.80 0.00 -1.10 0.00 0.00 41.96 41.86 2ai6 s TYR 52 CO 0.21 -0.35 2.03 0.45 -2.51 0.00 0.00 175.55 175.37 2ai6 h HIS 53 N 4.22 0.54 0.00 -3.49 3.86 -1.86 -1.26 115.15 117.16 2ai6 h HIS 53 Ca -0.29 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2ai6 h HIS 53 Cb 1.18 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 2ai6 h HIS 53 CO 0.50 0.37 -0.02 0.00 0.86 0.00 0.00 177.93 179.64 2ai6 h ALA 54 N 1.70 1.72 -0.04 2.45 0.00 -1.97 -1.91 119.26 121.21 2ai6 h ALA 54 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ai6 h ALA 54 Cb -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ai6 h ALA 54 CO -0.03 0.02 -0.02 0.22 0.00 0.00 0.00 179.25 179.44 2ai6 h ASP 55 N 0.00 0.09 -0.56 0.00 3.58 -1.61 -0.39 116.42 117.53 2ai6 h ASP 55 Ca -0.00 -0.43 -0.11 0.00 0.42 0.00 0.00 57.03 56.91 2ai6 h ASP 55 Cb 0.04 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 55 CO 0.00 0.50 -0.07 0.16 -2.88 0.00 0.00 179.24 176.96 2ai6 h ILE 56 N -0.32 1.27 -0.01 2.25 3.07 -1.63 -1.28 117.51 120.85 2ai6 h ILE 56 Ca 0.01 -1.22 -0.00 0.00 1.55 0.00 0.00 64.86 65.20 2ai6 h ILE 56 Cb 0.47 0.92 -0.00 0.00 -0.27 0.00 0.00 36.82 37.93 2ai6 h ILE 56 CO 0.01 0.43 0.01 0.22 -1.05 0.00 0.00 178.15 177.77 2ai6 h TYR 57 N 0.92 0.02 -0.32 0.16 3.20 -1.31 -0.56 116.97 119.07 2ai6 h TYR 57 Ca 0.15 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2ai6 h TYR 57 Cb 0.63 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2ai6 h TYR 57 CO 0.04 0.07 0.17 0.22 -1.64 0.00 0.00 178.16 177.03 2ai6 h ASP 58 N -0.04 0.41 0.16 -2.11 3.58 -0.95 0.18 116.42 117.64 2ai6 h ASP 58 Ca 0.01 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2ai6 h ASP 58 Cb 0.06 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2ai6 h ASP 58 CO -0.00 0.39 -0.15 0.50 -2.88 0.00 0.00 179.24 177.11 2ai6 h LYS 59 N 0.40 -0.32 0.11 0.28 3.64 -1.17 -1.14 116.57 118.36 2ai6 h LYS 59 Ca 0.11 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.24 2ai6 h LYS 59 Cb 0.08 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2ai6 h LYS 59 CO -0.02 -0.21 -1.30 0.28 -2.27 0.00 0.00 179.45 175.93 2ai6 h VAL 60 N -0.33 1.42 -0.86 2.00 2.07 -0.95 -1.92 116.25 117.69 2ai6 h VAL 60 Ca 0.00 -3.03 0.02 0.00 0.82 0.00 0.00 66.70 64.51 2ai6 h VAL 60 Cb 0.31 2.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 2ai6 h VAL 60 CO -0.03 0.87 0.57 -1.28 0.02 0.00 0.00 177.57 177.72 2ai6 h SER 61 N 0.06 0.96 -0.27 0.57 0.87 -0.69 0.82 113.55 115.86 2ai6 h SER 61 Ca -0.15 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2ai6 h SER 61 Cb 1.96 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.66 2ai6 h SER 61 CO 0.18 0.68 0.12 1.23 -0.53 0.00 0.00 176.83 178.51 2ai6 h GLY 62 N 1.12 0.36 0.93 5.77 0.00 -0.92 0.65 103.07 110.98 2ai6 h GLY 62 Ca 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2ai6 h GLY 62 CO -0.08 0.07 0.13 -1.80 0.00 0.00 0.00 176.54 174.85 2ai6 h ASP 63 N 0.27 0.52 -0.53 0.19 3.58 -0.59 -0.06 116.42 119.79 2ai6 h ASP 63 Ca 0.11 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2ai6 h ASP 63 Cb 0.05 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2ai6 h ASP 63 CO -0.09 0.57 0.35 0.24 -2.88 0.00 0.00 179.24 177.43 2ai6 h MET 64 N 0.44 0.71 -0.18 0.28 2.86 -0.72 -1.31 114.93 117.01 2ai6 h MET 64 Ca 0.12 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2ai6 h MET 64 Cb 0.23 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2ai6 h MET 64 CO -0.01 0.48 -0.19 1.96 1.06 0.00 0.00 176.91 180.22 2ai6 h GLN 65 N 0.72 0.31 -0.67 1.72 4.20 -0.64 0.01 115.11 120.75 2ai6 h GLN 65 Ca 0.19 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2ai6 h GLN 65 Cb -0.07 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 2ai6 h GLN 65 CO -0.04 0.49 0.17 -0.22 -0.67 0.00 0.00 178.83 178.57 2ai6 h LYS 66 N 0.29 1.06 -0.75 1.46 3.64 -0.45 -1.89 116.57 119.93 2ai6 h LYS 66 Ca 0.05 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2ai6 h LYS 66 Cb 0.50 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2ai6 h LYS 66 CO 0.03 0.93 0.48 1.96 -2.27 0.00 0.00 179.45 180.59 2ai6 h GLN 67 N 1.01 0.99 0.00 1.90 4.20 -0.44 -3.47 115.11 119.31 2ai6 h GLN 67 Ca 0.22 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2ai6 h GLN 67 Cb 0.34 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2ai6 h GLN 67 CO -0.00 0.67 0.00 0.41 -0.67 0.00 0.00 178.83 179.24 2ai6 n GLY 68 N -1.27 -0.28 3.56 3.46 0.00 -0.21 -0.56 105.19 109.90 2ai6 n GLY 68 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.87 1.81 0.18 0.00 2.15 -1.25 -4.13 116.67 111.56 2ai6 s ASP 70 Ca 0.71 -0.51 -0.10 0.00 0.43 0.00 0.00 52.55 53.08 2ai6 s ASP 70 Cb -0.09 -0.11 -0.00 0.00 -0.30 0.00 0.00 42.92 42.42 2ai6 s ASP 70 CO 0.56 0.03 0.33 0.00 -0.17 0.00 0.00 175.17 175.92 2ai6 s GLU 72 N -3.96 0.54 -0.22 0.00 2.12 -0.74 -4.99 118.70 111.45 2ai6 s GLU 72 Ca 0.17 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.23 2ai6 s GLU 72 Cb 0.02 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 2ai6 s GLU 72 CO 0.01 -0.16 1.55 0.00 -0.54 0.00 0.00 175.26 176.12 2ai6 h LEU 74 N 11.33 0.00 0.00 0.00 3.38 -1.17 -3.48 115.31 125.36 2ai6 h LEU 74 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2ai6 h LEU 74 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2ai6 h LEU 74 CO 1.00 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.48 2ai6 n GLY 75 N 0.35 -0.99 3.35 0.83 0.00 -1.24 -4.66 105.19 102.83 2ai6 n GLY 75 Ca 0.00 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 2ai6 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ai6 s GLY 76 N 0.00 2.04 0.00 -0.02 0.00 -0.64 -2.41 107.32 106.28 2ai6 s GLY 76 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2ai6 s GLY 76 CO 0.00 -1.62 0.00 0.61 0.00 0.00 0.00 173.10 172.09 2ai6 n GLY 77 N -0.59 -0.58 3.09 0.20 0.00 -1.02 -2.34 105.19 103.96 2ai6 n GLY 77 Ca 0.00 -0.62 -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 -1.60 0.00 0.00 0.00 173.32 171.72 2ai6 s ARG 78 N -0.24 0.62 -0.15 1.61 3.52 0.69 -0.76 118.95 124.24 2ai6 s ARG 78 Ca 0.00 -0.93 -0.00 0.00 -0.13 0.00 0.00 55.73 54.66 2ai6 s ARG 78 Cb 0.00 -0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.13 2ai6 s ARG 78 CO 0.00 0.03 -0.14 0.42 -0.81 0.00 0.00 175.30 174.80 2ai6 s ILE 79 N -2.08 2.81 0.16 4.11 1.01 0.09 -2.14 121.20 125.15 2ai6 s ILE 79 Ca -0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 2ai6 s ILE 79 Cb -0.05 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.25 2ai6 s ILE 79 CO -0.01 0.51 0.41 -0.44 0.00 0.00 0.00 174.94 175.41 2ai6 s SER 80 N 0.74 -0.18 0.36 3.58 0.01 -0.86 -1.90 113.70 115.45 2ai6 s SER 80 Ca -0.06 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.45 2ai6 s SER 80 Cb -0.15 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.48 2ai6 s SER 80 CO 0.01 -0.93 1.15 -1.00 0.41 0.00 0.00 173.24 172.88 2ai6 s HIS 81 N -3.86 3.24 -0.62 2.43 3.76 -1.26 -0.29 115.29 118.69 2ai6 s HIS 81 Ca 0.08 1.59 0.24 0.00 -0.15 0.00 0.00 55.06 56.82 2ai6 s HIS 81 Cb 0.01 -3.36 0.91 0.00 1.11 0.00 0.00 32.58 31.26 2ai6 s HIS 81 CO -0.07 -1.06 1.73 0.94 -0.85 0.00 0.00 174.74 175.44 2ai6 n GLN 82 N 0.46 0.20 -0.75 1.40 7.27 0.25 -4.79 117.38 121.41 2ai6 n GLN 82 Ca 0.02 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2ai6 n GLN 82 Cb 0.46 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.29 2ai6 n GLN 82 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2ai6 n SER 83 N -2.18 -2.26 0.04 1.69 7.64 -1.26 -4.80 113.62 112.49 2ai6 n SER 83 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 2ai6 n SER 83 Cb 0.31 -2.47 -0.12 0.00 -1.01 0.00 0.00 64.21 60.92 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 0.36 0.46 -0.09 1.43 1.08 -1.91 -3.42 115.11 113.02 2ai6 h GLN 84 Ca 0.00 -0.57 -0.21 0.00 -1.45 0.00 0.00 58.65 56.42 2ai6 h GLN 84 Cb 0.34 0.18 -0.18 0.00 -0.05 0.00 0.00 27.48 27.77 2ai6 h GLN 84 CO 0.00 1.22 -0.42 -3.47 -0.95 0.00 0.00 178.83 175.21 2ai6 n ASP 85 N -4.07 -1.30 0.00 1.46 2.03 -1.26 -5.00 116.55 108.40 2ai6 n ASP 85 Ca -0.12 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 52.84 2ai6 n ASP 85 Cb 0.79 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 2ai6 n ASP 85 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ai6 n LYS 86 N -0.97 0.00 -1.64 -0.67 4.81 -1.26 -4.93 118.16 113.49 2ai6 n LYS 86 Ca -0.08 0.00 -0.57 0.00 -0.87 0.00 0.00 58.31 56.79 2ai6 n LYS 86 Cb 0.86 -3.21 -0.07 0.00 0.02 0.00 0.00 35.03 32.63 2ai6 n LYS 86 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2ai6 n LYS 87 N -1.49 0.80 -1.75 1.64 4.81 -1.26 -4.57 118.16 116.34 2ai6 n LYS 87 Ca 0.00 0.29 -0.34 0.00 -0.87 0.00 0.00 58.31 57.39 2ai6 n LYS 87 Cb 0.00 -1.91 0.06 0.00 0.02 0.00 0.00 35.03 33.20 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 1.89 2.72 0.03 3.15 -1.09 -1.26 -0.59 121.20 126.05 2ai6 s ILE 88 Ca 0.94 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 2ai6 s ILE 88 Cb -1.13 -2.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 2ai6 s ILE 88 CO 0.60 -0.16 -0.03 -2.28 -1.23 0.00 0.00 174.94 171.84 2ai6 s HIS 89 N -1.96 0.32 -0.09 3.97 5.65 0.60 -2.74 115.29 121.04 2ai6 s HIS 89 Ca 0.73 -0.58 -0.01 0.00 0.25 0.00 0.00 55.06 55.45 2ai6 s HIS 89 Cb -0.27 -0.23 0.03 0.00 -1.18 0.00 0.00 32.58 30.93 2ai6 s HIS 89 CO 0.39 -0.20 -0.04 0.08 -0.65 0.00 0.00 174.74 174.33 2ai6 s VAL 90 N -1.69 0.71 0.39 0.89 1.01 -0.44 -2.04 120.40 119.24 2ai6 s VAL 90 Ca -0.13 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2ai6 s VAL 90 Cb -0.08 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.56 2ai6 s VAL 90 CO -0.02 0.31 0.77 -0.72 0.00 0.00 0.00 175.10 175.44 2ai6 s TYR 91 N 1.81 0.24 -0.61 5.22 1.13 -0.91 -2.41 117.35 121.81 2ai6 s TYR 91 Ca 0.04 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 2ai6 s TYR 91 Cb -0.12 0.76 0.00 0.00 -1.10 0.00 0.00 41.96 41.50 2ai6 s TYR 91 CO -0.07 -1.56 0.00 0.41 -2.51 0.00 0.00 175.55 171.82 2ai6 n GLY 92 N -0.54 0.50 3.47 5.49 0.00 -0.26 -0.22 105.19 113.63 2ai6 n GLY 92 Ca -0.08 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.60 2ai6 n GLY 92 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ai6 s TYR 93 N -0.33 -0.00 -0.05 1.61 5.04 -1.24 -3.85 117.35 118.54 2ai6 s TYR 93 Ca 0.00 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2ai6 s TYR 93 Cb 0.00 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.61 2ai6 s TYR 93 CO 0.00 -0.86 -0.02 0.45 -1.34 0.00 0.00 175.55 173.78 2ai6 s SER 94 N -2.89 0.96 0.45 4.32 0.15 -1.15 -4.05 113.70 111.48 2ai6 s SER 94 Ca 0.11 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.80 2ai6 s SER 94 Cb 0.00 -0.39 1.01 0.00 -1.71 0.00 0.00 66.02 64.94 2ai6 s SER 94 CO -0.03 -0.10 2.01 -0.03 1.20 0.00 0.00 173.24 176.30 2ai6 h MET 95 N 7.46 0.06 0.15 5.44 4.05 -1.97 0.86 114.93 130.98 2ai6 h MET 95 Ca -0.35 -0.01 -0.29 0.00 -0.28 0.00 0.00 59.70 58.77 2ai6 h MET 95 Cb 1.14 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2ai6 h MET 95 CO 0.42 0.18 -1.34 0.00 0.23 0.00 0.00 176.91 176.41 2ai6 h ALA 96 N 1.82 0.09 0.00 0.39 0.00 -2.02 -3.41 119.26 116.13 2ai6 h ALA 96 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2ai6 h ALA 96 Cb 0.25 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ai6 h ALA 96 CO 0.02 0.96 0.00 0.66 0.00 0.00 0.00 179.25 180.89 2ai6 n TYR 97 N -3.55 0.00 -0.26 0.00 4.01 -1.19 -5.13 117.16 111.05 2ai6 n TYR 97 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.66 2ai6 n TYR 97 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.06 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 -1.57 3.75 2.72 0.00 0.29 -4.21 105.19 106.23 2ai6 n GLY 98 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.49 4.48 0.79 1.61 0.04 -1.26 -1.62 135.00 137.55 2ai6 s PRO 99 Ca 0.00 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 2ai6 s PRO 99 Cb 0.00 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.45 2ai6 s PRO 99 CO 0.00 -0.04 1.09 0.00 0.04 0.00 0.00 177.00 178.09 2ai6 s ALA 100 N -0.73 2.13 -1.31 8.56 0.00 -0.99 -4.51 121.76 124.91 2ai6 s ALA 100 Ca 0.49 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 2ai6 s ALA 100 Cb -0.35 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.60 2ai6 s ALA 100 CO 0.43 -1.87 1.77 1.04 0.00 0.00 0.00 175.76 177.13 2ai6 n GLN 101 N -3.59 3.19 0.28 0.00 1.13 -1.26 -4.81 117.38 112.32 2ai6 n GLN 101 Ca 0.09 -3.28 0.17 0.00 -1.94 0.00 0.00 57.00 52.04 2ai6 n GLN 101 Cb 0.53 -3.36 0.86 0.00 0.11 0.00 0.00 30.24 28.38 2ai6 n GLN 101 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2ai6 h HIS 102 N 7.17 0.00 -0.82 1.08 3.86 -1.90 0.20 115.15 124.74 2ai6 h HIS 102 Ca 0.44 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.79 2ai6 h HIS 102 Cb 0.82 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.21 2ai6 h HIS 102 CO 1.37 0.00 0.42 0.00 0.86 0.00 0.00 177.93 180.58 2ai6 h ALA 103 N 1.51 1.20 -0.21 2.45 0.00 -1.92 -0.12 119.26 122.16 2ai6 h ALA 103 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2ai6 h ALA 103 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2ai6 h ALA 103 CO -0.00 -0.07 0.12 0.82 0.00 0.00 0.00 179.25 180.13 2ai6 h ILE 104 N 0.63 1.10 -0.06 0.00 1.08 -1.36 -2.46 117.51 116.43 2ai6 h ILE 104 Ca 0.43 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.66 2ai6 h ILE 104 Cb 0.57 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 2ai6 h ILE 104 CO -0.34 0.09 0.03 0.28 -0.69 0.00 0.00 178.15 177.53 2ai6 h SER 105 N 0.25 0.07 -0.98 1.72 0.02 -1.47 -1.96 113.55 111.21 2ai6 h SER 105 Ca 0.08 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2ai6 h SER 105 Cb 0.04 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 2ai6 h SER 105 CO -0.01 0.12 0.65 0.71 -1.14 0.00 0.00 176.83 177.15 2ai6 h THR 106 N 0.02 1.21 -0.22 -2.27 1.35 -0.96 0.14 112.91 112.18 2ai6 h THR 106 Ca 0.02 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.43 2ai6 h THR 106 Cb 0.06 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.29 2ai6 h THR 106 CO -0.00 0.23 0.08 -0.33 -0.25 0.00 0.00 175.52 175.25 2ai6 h GLU 107 N 1.28 0.33 -0.37 4.72 5.08 -1.23 0.23 114.58 124.63 2ai6 h GLU 107 Ca 0.38 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2ai6 h GLU 107 Cb -0.07 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2ai6 h GLU 107 CO -0.10 0.41 0.08 0.87 -1.00 0.00 0.00 179.01 179.26 2ai6 h LYS 108 N 0.19 0.59 -0.19 2.33 1.57 -0.84 -1.08 116.57 119.14 2ai6 h LYS 108 Ca 0.07 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ai6 h LYS 108 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2ai6 h LYS 108 CO -0.00 0.64 0.06 0.82 -0.57 0.00 0.00 179.45 180.39 2ai6 h ILE 109 N 0.44 1.19 -0.44 1.86 2.04 -0.70 -1.47 117.51 120.43 2ai6 h ILE 109 Ca 0.11 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ai6 h ILE 109 Cb 0.32 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2ai6 h ILE 109 CO 0.00 0.19 0.27 0.11 0.00 0.00 0.00 178.15 178.72 2ai6 h LYS 110 N 0.14 0.59 -0.50 2.37 1.57 -0.81 0.13 116.57 120.05 2ai6 h LYS 110 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2ai6 h LYS 110 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ai6 h LYS 110 CO -0.00 0.41 -0.01 0.00 -0.57 0.00 0.00 179.45 179.28 2ai6 h ALA 111 N 1.70 0.67 0.00 3.86 0.00 -0.78 -3.20 119.26 121.51 2ai6 h ALA 111 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ai6 h ALA 111 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2ai6 h ALA 111 CO -0.03 0.49 -0.34 0.87 0.00 0.00 0.00 179.25 180.24 2ai6 h LYS 112 N 0.75 0.00 -6.47 0.00 6.56 -0.58 -3.49 116.57 113.34 2ai6 h LYS 112 Ca 0.14 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 59.23 2ai6 h LYS 112 Cb 0.53 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.12 2ai6 h LYS 112 CO 0.03 0.00 -0.86 0.66 -2.06 0.00 0.00 179.45 177.22 2ai6 n TYR 113 N -2.36 -1.77 0.30 -1.35 4.01 0.38 -4.90 117.16 111.46 2ai6 n TYR 113 Ca 0.04 0.79 0.18 0.00 -0.16 0.00 0.00 57.90 58.74 2ai6 n TYR 113 Cb 0.46 -3.71 1.00 0.00 -0.31 0.00 0.00 39.34 36.78 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 -1.81 0.00 -4.47 -0.72 0.11 -1.92 -3.42 132.00 119.77 2ai6 h PRO 114 Ca -0.62 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.31 2ai6 h PRO 114 Cb 1.37 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.34 2ai6 h PRO 114 CO 0.65 0.00 -0.67 0.34 -0.21 0.00 0.00 178.00 178.11 2ai6 s ASP 115 N -5.77 0.66 0.28 -2.05 2.15 -1.26 -4.62 116.67 106.06 2ai6 s ASP 115 Ca -0.05 -1.10 -0.03 0.00 0.43 0.00 0.00 52.55 51.80 2ai6 s ASP 115 Cb 0.14 0.20 0.40 0.00 -0.30 0.00 0.00 42.92 43.36 2ai6 s ASP 115 CO 0.50 -0.62 1.95 0.22 -0.17 0.00 0.00 175.17 177.05 2ai6 h TYR 116 N 2.94 1.11 -3.30 -5.34 3.20 -1.97 -3.45 116.97 110.16 2ai6 h TYR 116 Ca -0.35 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 2ai6 h TYR 116 Cb 1.18 -0.37 -0.09 0.00 1.54 0.00 0.00 36.73 38.98 2ai6 h TYR 116 CO 0.51 0.69 0.04 -2.00 -1.64 0.00 0.00 178.16 175.76 2ai6 s GLU 117 N -5.98 1.47 0.15 1.82 2.12 -1.26 -4.99 118.70 112.02 2ai6 s GLU 117 Ca -0.12 -0.94 -0.02 0.00 0.36 0.00 0.00 54.97 54.25 2ai6 s GLU 117 Cb 0.18 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 35.07 2ai6 s GLU 117 CO 0.80 -0.63 0.11 0.14 -0.54 0.00 0.00 175.26 175.14 2ai6 s VAL 118 N -3.90 0.08 0.28 3.70 -7.23 -1.26 -4.21 120.40 107.87 2ai6 s VAL 118 Ca 0.11 -1.83 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 2ai6 s VAL 118 Cb -0.02 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2ai6 s VAL 118 CO 0.00 -0.37 0.11 0.42 -0.31 0.00 0.00 175.10 174.95 2ai6 s THR 119 N -4.05 0.54 0.23 5.32 -4.23 -1.11 -5.01 115.64 107.34 2ai6 s THR 119 Ca 0.25 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.74 2ai6 s THR 119 Cb 0.07 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 2ai6 s THR 119 CO 0.03 0.00 0.21 -1.66 -0.54 0.00 0.00 174.62 172.66 2ai6 s TRP 120 N -3.66 1.12 -0.02 3.99 1.48 -1.26 -1.33 118.94 119.25 2ai6 s TRP 120 Ca 0.37 -1.32 -0.04 0.00 -1.06 0.00 0.00 56.10 54.04 2ai6 s TRP 120 Cb 0.07 -0.45 0.00 0.00 -1.16 0.00 0.00 33.47 31.93 2ai6 s TRP 120 CO 0.15 -0.74 0.10 0.00 -4.06 0.00 0.00 176.95 172.40 2ai6 s ALA 121 N -4.00 -0.24 -0.42 2.67 0.00 -1.01 -4.92 121.76 113.84 2ai6 s ALA 121 Ca 0.37 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2ai6 s ALA 121 Cb 0.05 -0.07 0.19 0.00 0.00 0.00 0.00 23.12 23.30 2ai6 s ALA 121 CO 0.14 -0.10 1.06 -1.71 0.00 0.00 0.00 175.76 175.14 2ai6 n ASN 122 N 2.45 2.78 -2.84 0.00 5.15 -1.26 -4.44 115.26 117.09 2ai6 n ASN 122 Ca -0.16 -2.34 -0.11 0.00 -0.60 0.00 0.00 54.58 51.37 2ai6 n ASN 122 Cb 0.58 -0.57 0.01 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.11 -2.05 0.00 1.20 2.03 -1.26 -5.00 116.55 111.58 2ai6 n ASP 123 Ca 0.12 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.75 2ai6 n ASP 123 Cb 0.67 3.49 0.00 0.00 -0.72 0.00 0.00 41.12 44.56 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 -0.55 0.96 0.00 0.27 0.00 -1.25 -1.10 105.19 103.52 2ai6 n GLY 124 Ca -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2ai6 n GLY 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90