#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 0.08 0.17 -5.12 0.00 -1.26 -5.15 121.76 110.48 2ai6 s ALA 2 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 2ai6 s ALA 2 Cb 0.00 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 2ai6 s ALA 2 CO 0.00 -0.10 0.96 0.14 0.00 0.00 0.00 175.76 176.76 2ai6 s VAL 3 N -0.92 4.28 1.08 0.00 -7.23 -1.26 -5.02 120.40 111.34 2ai6 s VAL 3 Ca -0.10 2.06 -0.17 0.00 -1.81 0.00 0.00 61.98 61.96 2ai6 s VAL 3 Cb -0.06 -4.31 0.24 0.00 0.56 0.00 0.00 36.38 32.80 2ai6 s VAL 3 CO -0.01 0.40 1.18 0.00 -0.31 0.00 0.00 175.10 176.36 2ai6 s ALA 4 N -0.54 1.30 0.04 1.32 0.00 -1.26 -5.10 121.76 117.53 2ai6 s ALA 4 Ca 0.44 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 2ai6 s ALA 4 Cb -0.25 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2ai6 s ALA 4 CO 0.31 -3.03 0.16 0.34 0.00 0.00 0.00 175.76 173.54 2ai6 s ASP 5 N -4.23 0.10 0.54 0.00 2.15 -1.26 -4.74 116.67 109.22 2ai6 s ASP 5 Ca 0.71 -0.47 0.30 0.00 0.43 0.00 0.00 52.55 53.52 2ai6 s ASP 5 Cb -0.09 0.27 1.46 0.00 -0.30 0.00 0.00 42.92 44.27 2ai6 s ASP 5 CO 0.55 -0.56 1.92 -0.07 -0.17 0.00 0.00 175.17 176.84 2ai6 h LEU 6 N 3.43 0.00 -0.70 -1.34 3.38 -1.96 0.79 115.31 118.91 2ai6 h LEU 6 Ca -0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2ai6 h LEU 6 Cb 1.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 6 CO 0.50 0.00 -0.53 0.00 0.09 0.00 0.00 178.44 178.51 2ai6 h ALA 7 N 1.61 0.90 0.00 1.53 0.00 -2.02 -3.23 119.26 118.05 2ai6 h ALA 7 Ca 0.37 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2ai6 h ALA 7 Cb 1.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2ai6 h ALA 7 CO -0.00 0.66 -0.70 -0.07 0.00 0.00 0.00 179.25 179.14 2ai6 h LEU 8 N 0.00 0.00 -9.53 0.00 3.38 -1.26 -3.46 115.31 104.45 2ai6 h LEU 8 Ca -0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 2ai6 h LEU 8 Cb 1.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.90 2ai6 h LEU 8 CO 0.07 0.41 0.82 -0.38 0.09 0.00 0.00 178.44 179.45 2ai6 n ILE 9 N -3.08 0.05 -1.65 1.22 5.41 -1.04 -4.90 119.36 115.36 2ai6 n ILE 9 Ca -0.01 -0.01 -0.52 0.00 1.00 0.00 0.00 62.75 63.21 2ai6 n ILE 9 Cb 0.72 -1.60 -0.06 0.00 -0.71 0.00 0.00 39.64 37.99 2ai6 n ILE 9 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2ai6 n PRO 10 N 3.42 1.49 0.05 0.38 -0.02 -1.26 -4.90 135.00 134.16 2ai6 n PRO 10 Ca 0.16 0.54 -0.17 0.00 -2.02 0.00 0.00 63.50 62.01 2ai6 n PRO 10 Cb 0.30 -2.25 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.28 0.38 -3.71 2.55 3.58 -1.92 -3.46 116.42 120.12 2ai6 h ASP 11 Ca -0.47 -0.59 -0.22 0.00 0.42 0.00 0.00 57.03 56.17 2ai6 h ASP 11 Cb 1.31 -0.12 -0.28 0.00 1.72 0.00 0.00 39.33 41.95 2ai6 h ASP 11 CO 0.88 1.50 -0.64 -0.69 -2.88 0.00 0.00 179.24 177.41 2ai6 s VAL 12 N -2.60 -0.01 -0.27 2.25 1.01 -1.26 -2.46 120.40 117.06 2ai6 s VAL 12 Ca -0.11 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 2ai6 s VAL 12 Cb 0.07 -0.12 0.15 0.00 0.00 0.00 0.00 36.38 36.48 2ai6 s VAL 12 CO 0.84 0.01 0.51 -0.62 0.00 0.00 0.00 175.10 175.84 2ai6 s ASP 13 N 0.20 -0.66 0.03 3.32 2.15 -0.97 -5.00 116.67 115.75 2ai6 s ASP 13 Ca -0.01 0.79 -0.05 0.00 0.43 0.00 0.00 52.55 53.71 2ai6 s ASP 13 Cb -0.02 1.73 -0.01 0.00 -0.30 0.00 0.00 42.92 44.31 2ai6 s ASP 13 CO -0.01 -0.26 0.08 0.27 -0.17 0.00 0.00 175.17 175.08 2ai6 s ILE 14 N 2.73 0.12 0.96 4.11 -4.36 -1.26 -3.69 121.20 119.80 2ai6 s ILE 14 Ca 0.11 -1.01 -0.12 0.00 -0.26 0.00 0.00 60.65 59.36 2ai6 s ILE 14 Cb -0.14 -0.74 0.16 0.00 1.25 0.00 0.00 42.46 42.99 2ai6 s ILE 14 CO -0.18 -0.56 1.12 -0.62 0.24 0.00 0.00 174.94 174.94 2ai6 s ASP 15 N -1.91 3.07 0.00 4.36 2.15 -0.69 -5.00 116.67 118.64 2ai6 s ASP 15 Ca -0.08 1.04 0.00 0.00 0.43 0.00 0.00 52.55 53.94 2ai6 s ASP 15 Cb -0.03 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2ai6 s ASP 15 CO -0.03 -2.84 0.62 -1.20 -0.17 0.00 0.00 175.17 171.55 2ai6 n SER 16 N -3.96 0.00 -0.83 -0.34 7.64 -1.26 -4.97 113.62 109.90 2ai6 n SER 16 Ca 0.06 -1.38 0.02 0.00 1.01 0.00 0.00 58.87 58.58 2ai6 n SER 16 Cb 0.58 -0.08 0.20 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 2.48 0.00 6.43 2.03 -1.26 -4.97 116.55 121.26 2ai6 n ASP 17 Ca 0.00 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.71 2ai6 n ASP 17 Cb 0.58 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2ai6 n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ai6 n GLY 18 N -1.08 -0.56 2.98 0.27 0.00 -1.26 -5.08 105.19 100.46 2ai6 n GLY 18 Ca 0.25 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 1.03 0.24 1.61 1.01 -1.26 -1.43 120.40 121.59 2ai6 s VAL 19 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 2ai6 s VAL 19 Cb 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.44 2ai6 s VAL 19 CO 0.00 0.34 0.73 0.72 0.00 0.00 0.00 175.10 176.89 2ai6 s PHE 20 N 0.95 -0.25 0.21 5.22 -0.12 -0.69 -4.91 117.98 118.39 2ai6 s PHE 20 Ca -0.09 -0.14 0.05 0.00 -0.05 0.00 0.00 56.93 56.69 2ai6 s PHE 20 Cb -0.15 0.67 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 2ai6 s PHE 20 CO 0.00 -1.10 0.31 0.15 -0.05 0.00 0.00 175.22 174.53 2ai6 s LYS 21 N -3.79 3.35 0.19 1.99 1.02 -1.26 -0.81 119.74 120.43 2ai6 s LYS 21 Ca 0.09 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.29 2ai6 s LYS 21 Cb -0.04 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2ai6 s LYS 21 CO 0.02 0.46 0.20 1.52 -0.92 0.00 0.00 175.35 176.63 2ai6 s TYR 22 N -1.92 0.88 0.04 3.18 1.13 -0.35 -2.68 117.35 117.63 2ai6 s TYR 22 Ca 0.34 -1.17 -0.08 0.00 -1.41 0.00 0.00 57.07 54.75 2ai6 s TYR 22 Cb -0.10 -0.35 -0.00 0.00 -1.10 0.00 0.00 41.96 40.41 2ai6 s TYR 22 CO 0.28 -0.69 0.15 0.54 -2.51 0.00 0.00 175.55 173.32 2ai6 s VAL 23 N -4.09 0.12 -0.23 -3.49 0.11 -0.26 -2.43 120.40 110.12 2ai6 s VAL 23 Ca 0.31 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2ai6 s VAL 23 Cb 0.05 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 34.02 2ai6 s VAL 23 CO 0.08 -0.54 -0.12 -0.22 -3.33 0.00 0.00 175.10 170.97 2ai6 s LEU 24 N -2.13 2.99 -0.10 2.54 2.96 -0.70 -2.62 118.68 121.62 2ai6 s LEU 24 Ca -0.05 -1.00 0.03 0.00 -0.22 0.00 0.00 54.13 52.89 2ai6 s LEU 24 Cb -0.01 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2ai6 s LEU 24 CO -0.04 -0.12 -0.21 0.27 -1.32 0.00 0.00 176.35 174.93 2ai6 s ILE 25 N 1.23 2.32 0.38 6.68 -4.36 -0.85 -0.72 121.20 125.88 2ai6 s ILE 25 Ca -0.02 -0.93 -0.24 0.00 -0.26 0.00 0.00 60.65 59.20 2ai6 s ILE 25 Cb -0.17 -1.90 -0.10 0.00 1.25 0.00 0.00 42.46 41.54 2ai6 s ILE 25 CO -0.07 0.55 1.00 -0.60 0.24 0.00 0.00 174.94 176.06 2ai6 s ARG 26 N 0.25 4.31 -0.06 0.37 3.52 0.31 -0.96 118.95 126.70 2ai6 s ARG 26 Ca -0.14 1.39 0.01 0.00 -0.13 0.00 0.00 55.73 56.86 2ai6 s ARG 26 Cb -0.17 -2.57 0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2ai6 s ARG 26 CO 0.07 0.01 -0.07 0.08 -0.81 0.00 0.00 175.30 174.59 2ai6 s VAL 27 N -1.73 0.75 0.08 7.11 1.01 0.52 -1.83 120.40 126.31 2ai6 s VAL 27 Ca 0.56 -0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 2ai6 s VAL 27 Cb -0.19 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2ai6 s VAL 27 CO 0.24 0.28 0.26 -1.00 0.00 0.00 0.00 175.10 174.88 2ai6 s HIS 28 N 1.02 3.51 -0.61 5.22 0.09 -0.35 -1.64 115.29 122.52 2ai6 s HIS 28 Ca -0.09 0.35 -0.26 0.00 -0.00 0.00 0.00 55.06 55.06 2ai6 s HIS 28 Cb -0.14 -1.84 -0.05 0.00 -0.00 0.00 0.00 32.58 30.55 2ai6 s HIS 28 CO -0.00 0.54 2.09 -1.12 -0.00 0.00 0.00 174.74 176.26 2ai6 s SER 29 N -2.45 4.87 0.00 1.40 0.01 0.06 -4.00 113.70 113.60 2ai6 s SER 29 Ca 0.36 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.09 2ai6 s SER 29 Cb -0.13 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2ai6 s SER 29 CO 0.26 -2.69 0.69 0.00 0.41 0.00 0.00 173.24 171.91 2ai6 n ALA 30 N 14.37 1.80 -1.47 1.44 0.00 -1.26 -4.57 120.51 130.82 2ai6 n ALA 30 Ca 0.30 -0.52 -0.53 0.00 0.00 0.00 0.00 53.44 52.69 2ai6 n ALA 30 Cb 0.52 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 0.17 -1.41 0.00 -0.02 -1.26 -1.16 135.00 131.31 2ai6 n PRO 31 Ca 0.00 0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.46 2ai6 n PRO 31 Cb 0.59 -1.36 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 2ai6 n PRO 31 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ai6 n ARG 32 N 1.34 -1.38 -2.99 -0.52 5.12 0.34 -1.25 116.66 117.32 2ai6 n ARG 32 Ca 0.18 0.44 -0.19 0.00 -1.93 0.00 0.00 57.85 56.35 2ai6 n ARG 32 Cb 0.17 -4.64 -0.00 0.00 -1.16 0.00 0.00 32.46 26.83 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 -0.14 -3.91 -0.00 0.55 7.64 -0.31 -4.83 113.62 112.61 2ai6 n SER 33 Ca -0.08 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2ai6 n SER 33 Cb 0.30 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 2ai6 n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ai6 n GLY 34 N -1.06 -2.25 3.73 0.23 0.00 -0.38 -5.12 105.19 100.35 2ai6 n GLY 34 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 2.41 -1.56 4.61 0.00 -1.10 -4.93 121.76 121.20 2ai6 s ALA 35 Ca 0.00 1.23 0.31 0.00 0.00 0.00 0.00 51.96 53.49 2ai6 s ALA 35 Cb 0.00 -3.55 1.61 0.00 0.00 0.00 0.00 23.12 21.17 2ai6 s ALA 35 CO 0.00 -1.58 2.09 -0.35 0.00 0.00 0.00 175.76 175.93 2ai6 n PRO 36 N -1.84 0.55 -3.18 0.00 -0.04 -1.26 -4.91 135.00 124.33 2ai6 n PRO 36 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 2ai6 n PRO 36 Cb 0.48 -1.50 -0.02 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 -1.22 -0.37 -2.43 0.55 0.00 -1.26 -5.07 120.51 110.71 2ai6 n ALA 37 Ca 0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 53.44 52.43 2ai6 n ALA 37 Cb 0.21 0.87 0.05 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 -1.40 3.57 -1.03 0.00 0.00 -1.26 -4.67 120.51 115.72 2ai6 n ALA 38 Ca -0.10 -3.16 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 2ai6 n ALA 38 Cb 0.40 -0.62 0.18 0.00 0.00 0.00 0.00 19.45 19.41 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 -3.43 0.42 0.05 0.00 0.41 -1.26 -4.71 118.70 110.18 2ai6 s GLU 39 Ca 0.37 0.72 -0.02 0.00 -0.41 0.00 0.00 54.97 55.63 2ai6 s GLU 39 Cb 0.36 -1.72 -0.03 0.00 -1.78 0.00 0.00 34.13 30.96 2ai6 s GLU 39 CO -0.02 -2.79 0.01 -1.12 -0.49 0.00 0.00 175.26 170.85 2ai6 s SER 40 N -3.22 0.40 0.19 -0.19 0.01 -1.26 -0.76 113.70 108.88 2ai6 s SER 40 Ca 0.65 -0.88 -0.13 0.00 1.31 0.00 0.00 55.95 56.90 2ai6 s SER 40 Cb -0.20 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.25 2ai6 s SER 40 CO 0.59 -0.59 0.42 -1.59 0.41 0.00 0.00 173.24 172.48 2ai6 s LYS 41 N -3.63 1.33 0.15 12.44 0.00 -0.65 -4.99 119.74 124.38 2ai6 s LYS 41 Ca 0.04 -1.08 0.06 0.00 0.00 0.00 0.00 55.97 55.00 2ai6 s LYS 41 Cb 0.06 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.30 2ai6 s LYS 41 CO -0.09 -0.53 0.04 -1.21 0.00 0.00 0.00 175.35 173.55 2ai6 s GLU 42 N -3.94 2.57 0.12 1.78 8.01 -1.26 -0.36 118.70 125.63 2ai6 s GLU 42 Ca 0.15 -0.98 0.06 0.00 0.01 0.00 0.00 54.97 54.21 2ai6 s GLU 42 Cb 0.01 -2.48 -0.04 0.00 -4.31 0.00 0.00 34.13 27.31 2ai6 s GLU 42 CO 0.01 0.48 -0.13 0.96 0.01 0.00 0.00 175.26 176.59 2ai6 s ILE 43 N -1.64 1.29 -0.16 -1.63 -4.36 -0.13 -4.97 121.20 109.60 2ai6 s ILE 43 Ca 0.28 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 2ai6 s ILE 43 Cb -0.10 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 42.06 2ai6 s ILE 43 CO 0.20 -0.46 -0.18 -0.69 0.24 0.00 0.00 174.94 174.04 2ai6 s VAL 44 N -2.28 2.33 0.03 8.37 1.01 -1.03 -2.00 120.40 126.82 2ai6 s VAL 44 Ca 0.10 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2ai6 s VAL 44 Cb -0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2ai6 s VAL 44 CO 0.03 0.53 -0.07 -0.13 0.00 0.00 0.00 175.10 175.46 2ai6 s ARG 45 N 0.98 0.49 -0.30 2.72 1.81 -1.08 -2.28 118.95 121.29 2ai6 s ARG 45 Ca -0.03 -0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 53.26 2ai6 s ARG 45 Cb -0.15 -0.33 0.21 0.00 -0.45 0.00 0.00 34.95 34.24 2ai6 s ARG 45 CO -0.04 0.07 1.27 0.20 -0.68 0.00 0.00 175.30 176.12 2ai6 s GLY 46 N -1.08 0.66 0.01 -3.53 0.00 -1.24 -1.11 107.32 101.03 2ai6 s GLY 46 Ca -0.06 3.88 -0.16 0.00 0.00 0.00 0.00 44.72 48.38 2ai6 s GLY 46 CO 0.00 2.79 0.34 -0.19 0.00 0.00 0.00 173.10 176.05 2ai6 s TYR 47 N 1.04 -0.20 0.52 1.90 1.51 -1.09 -1.71 117.35 119.32 2ai6 s TYR 47 Ca -0.08 0.23 0.17 0.00 -1.01 0.00 0.00 57.07 56.38 2ai6 s TYR 47 Cb -0.02 0.13 1.29 0.00 -0.11 0.00 0.00 41.96 43.25 2ai6 s TYR 47 CO -0.10 -0.46 2.15 -0.22 -1.11 0.00 0.00 175.55 175.81 2ai6 h LYS 48 N 3.52 0.00 0.00 -0.62 3.64 -1.91 -1.82 116.57 119.39 2ai6 h LYS 48 Ca -0.30 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 2ai6 h LYS 48 Cb 1.18 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2ai6 h LYS 48 CO 0.42 0.01 -0.33 0.11 -2.27 0.00 0.00 179.45 177.39 2ai6 h TRP 49 N 0.00 0.00 -1.55 1.91 5.08 -1.96 -3.34 115.95 116.09 2ai6 h TRP 49 Ca -0.00 0.00 -0.69 0.00 1.08 0.00 0.00 58.89 59.28 2ai6 h TRP 49 Cb 0.02 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.05 2ai6 h TRP 49 CO 0.00 0.33 1.64 0.00 -1.28 0.00 0.00 178.44 179.13 2ai6 s ALA 50 N -4.04 3.49 -1.61 0.11 0.00 -0.68 -4.80 121.76 114.24 2ai6 s ALA 50 Ca -0.02 -2.97 0.11 0.00 0.00 0.00 0.00 51.96 49.08 2ai6 s ALA 50 Cb 0.13 -4.37 0.59 0.00 0.00 0.00 0.00 23.12 19.47 2ai6 s ALA 50 CO 0.69 -3.12 1.20 0.39 0.00 0.00 0.00 175.76 174.92 2ai6 n GLU 51 N 7.25 0.22 -3.78 0.00 1.02 -1.26 -4.26 120.64 119.84 2ai6 n GLU 51 Ca 0.39 0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.53 2ai6 n GLU 51 Cb 0.46 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.39 -0.27 0.48 -0.32 1.13 -1.26 -4.98 117.35 109.74 2ai6 s TYR 52 Ca 0.12 0.61 0.14 0.00 -1.41 0.00 0.00 57.07 56.54 2ai6 s TYR 52 Cb 0.07 0.10 1.13 0.00 -1.10 0.00 0.00 41.96 42.16 2ai6 s TYR 52 CO 0.15 -0.22 2.09 0.45 -2.51 0.00 0.00 175.55 175.52 2ai6 h HIS 53 N 5.17 0.09 0.00 -3.49 3.86 -1.87 -1.21 115.15 117.70 2ai6 h HIS 53 Ca -0.27 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 2ai6 h HIS 53 Cb 1.19 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2ai6 h HIS 53 CO 0.44 0.10 -0.08 0.00 0.86 0.00 0.00 177.93 179.25 2ai6 h ALA 54 N 1.91 1.79 -0.11 2.45 0.00 -1.96 -1.61 119.26 121.73 2ai6 h ALA 54 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ai6 h ALA 54 Cb 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ai6 h ALA 54 CO 0.00 0.10 -0.01 0.22 0.00 0.00 0.00 179.25 179.57 2ai6 h ASP 55 N 0.00 0.19 -0.46 0.00 3.58 -1.60 -0.96 116.42 117.16 2ai6 h ASP 55 Ca -0.00 -0.32 -0.10 0.00 0.42 0.00 0.00 57.03 57.03 2ai6 h ASP 55 Cb 0.15 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2ai6 h ASP 55 CO 0.01 0.47 -0.09 0.16 -2.88 0.00 0.00 179.24 176.91 2ai6 h ILE 56 N -0.09 1.27 -0.34 2.25 3.07 -1.64 -1.15 117.51 120.88 2ai6 h ILE 56 Ca 0.03 -1.21 0.02 0.00 1.55 0.00 0.00 64.86 65.25 2ai6 h ILE 56 Cb 0.37 1.10 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 2ai6 h ILE 56 CO 0.01 0.42 0.19 0.22 -1.05 0.00 0.00 178.15 177.93 2ai6 h TYR 57 N 0.73 0.36 -0.03 0.16 3.20 -1.17 0.60 116.97 120.81 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 0.64 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2ai6 h TYR 57 CO 0.05 0.20 0.01 0.22 -1.64 0.00 0.00 178.16 177.00 2ai6 h ASP 58 N 0.39 0.04 -0.07 -2.11 3.58 -1.11 -0.64 116.42 116.50 2ai6 h ASP 58 Ca 0.14 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.36 2ai6 h ASP 58 Cb 0.02 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2ai6 h ASP 58 CO -0.07 0.28 -0.00 0.50 -2.88 0.00 0.00 179.24 177.06 2ai6 h LYS 59 N -0.19 0.02 -0.13 0.28 3.64 -1.05 -0.72 116.57 118.41 2ai6 h LYS 59 Ca 0.01 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 2ai6 h LYS 59 Cb 0.25 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2ai6 h LYS 59 CO 0.00 0.01 -0.68 0.28 -2.27 0.00 0.00 179.45 176.79 2ai6 h VAL 60 N 0.02 1.31 0.00 2.00 2.07 -0.88 -1.84 116.25 118.92 2ai6 h VAL 60 Ca 0.03 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2ai6 h VAL 60 Cb 0.04 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2ai6 h VAL 60 CO -0.06 0.60 -0.12 0.28 0.02 0.00 0.00 177.57 178.29 2ai6 h SER 61 N 0.39 0.00 0.00 0.57 0.02 -1.06 0.55 113.55 114.02 2ai6 h SER 61 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2ai6 h SER 61 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2ai6 h SER 61 CO 0.14 0.12 -0.00 1.23 -1.14 0.00 0.00 176.83 177.18 2ai6 h GLY 62 N 0.36 -0.00 0.90 -3.77 0.00 -0.61 -0.25 103.07 99.69 2ai6 h GLY 62 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ai6 h GLY 62 CO 0.02 -0.00 0.08 -1.80 0.00 0.00 0.00 176.54 174.84 2ai6 h ASP 63 N -0.08 0.25 -0.63 0.19 1.82 -0.52 -0.32 116.42 117.12 2ai6 h ASP 63 Ca -0.00 -0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.53 2ai6 h ASP 63 Cb 0.08 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 39.99 2ai6 h ASP 63 CO 0.00 0.32 0.39 0.24 -1.61 0.00 0.00 179.24 178.58 2ai6 h MET 64 N 0.16 0.75 -0.07 0.28 2.86 -0.92 -1.16 114.93 116.84 2ai6 h MET 64 Ca 0.06 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2ai6 h MET 64 Cb 0.14 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2ai6 h MET 64 CO -0.01 0.50 -0.41 1.96 1.06 0.00 0.00 176.91 180.01 2ai6 h GLN 65 N 0.77 0.16 -0.58 1.72 4.20 -0.84 0.66 115.11 121.21 2ai6 h GLN 65 Ca 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2ai6 h GLN 65 Cb 0.01 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2ai6 h GLN 65 CO -0.10 0.55 0.33 -0.22 -0.67 0.00 0.00 178.83 178.72 2ai6 h LYS 66 N 0.14 0.81 -0.70 1.46 3.64 -0.41 -2.19 116.57 119.32 2ai6 h LYS 66 Ca 0.01 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2ai6 h LYS 66 Cb 0.79 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2ai6 h LYS 66 CO 0.06 0.60 0.46 1.96 -2.27 0.00 0.00 179.45 180.26 2ai6 h GLN 67 N 0.79 0.92 0.00 1.90 4.20 -0.63 -3.46 115.11 118.82 2ai6 h GLN 67 Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2ai6 h GLN 67 Cb 0.02 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.60 2ai6 h GLN 67 CO -0.04 0.62 0.00 0.41 -0.67 0.00 0.00 178.83 179.15 2ai6 n GLY 68 N -1.27 0.06 3.53 3.46 0.00 0.03 -0.50 105.19 110.49 2ai6 n GLY 68 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2ai6 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ai6 s ASP 70 N -3.59 1.53 0.13 0.00 2.15 -1.26 -4.03 116.67 111.61 2ai6 s ASP 70 Ca 0.70 -0.25 -0.08 0.00 0.43 0.00 0.00 52.55 53.34 2ai6 s ASP 70 Cb -0.12 -0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.32 2ai6 s ASP 70 CO 0.57 0.15 0.22 0.00 -0.17 0.00 0.00 175.17 175.94 2ai6 s GLU 72 N -3.94 0.46 -0.14 0.00 2.12 -0.76 -4.98 118.70 111.46 2ai6 s GLU 72 Ca 0.13 0.92 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 2ai6 s GLU 72 Cb 0.04 0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 2ai6 s GLU 72 CO -0.04 -0.17 1.73 0.00 -0.54 0.00 0.00 175.26 176.24 2ai6 h LEU 74 N 11.42 0.00 0.00 0.00 3.38 -1.29 -3.48 115.31 125.35 2ai6 h LEU 74 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2ai6 h LEU 74 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2ai6 h LEU 74 CO 0.97 0.46 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2ai6 n GLY 75 N -0.03 -1.26 0.00 0.83 0.00 -1.23 -4.71 105.19 98.79 2ai6 n GLY 75 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 2.36 0.00 -0.02 0.00 -0.65 -1.72 105.19 105.16 2ai6 n GLY 76 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2ai6 n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ai6 n GLY 77 N 0.00 0.66 3.39 -0.02 0.00 -1.02 -1.20 105.19 107.00 2ai6 n GLY 77 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.14 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 0.63 1.42 -0.05 1.61 3.52 0.11 -1.21 118.95 125.00 2ai6 s ARG 78 Ca 0.00 -1.45 0.04 0.00 -0.13 0.00 0.00 55.73 54.19 2ai6 s ARG 78 Cb 0.00 -1.72 -0.00 0.00 -1.56 0.00 0.00 34.95 31.67 2ai6 s ARG 78 CO 0.00 0.37 -0.18 0.42 -0.81 0.00 0.00 175.30 175.10 2ai6 s ILE 79 N -1.62 1.50 -0.15 4.11 1.01 0.01 -1.51 121.20 124.55 2ai6 s ILE 79 Ca 0.18 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 2ai6 s ILE 79 Cb -0.08 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 41.17 2ai6 s ILE 79 CO 0.08 0.43 0.17 -0.44 0.00 0.00 0.00 174.94 175.19 2ai6 s SER 80 N 0.04 1.32 0.06 3.58 0.01 -0.44 -1.71 113.70 116.56 2ai6 s SER 80 Ca -0.04 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 2ai6 s SER 80 Cb -0.12 0.22 -0.05 0.00 0.21 0.00 0.00 66.02 66.28 2ai6 s SER 80 CO 0.03 -0.30 0.91 -2.28 0.41 0.00 0.00 173.24 172.01 2ai6 s HIS 81 N 2.28 3.74 -0.08 2.43 5.04 -0.52 -1.40 115.29 126.78 2ai6 s HIS 81 Ca 0.04 1.68 0.04 0.00 -1.54 0.00 0.00 55.06 55.28 2ai6 s HIS 81 Cb -0.14 -3.01 -0.01 0.00 0.04 0.00 0.00 32.58 29.46 2ai6 s HIS 81 CO -0.09 0.16 -0.21 -0.65 -2.34 0.00 0.00 174.74 171.60 2ai6 s GLN 82 N 0.30 2.84 0.54 2.88 -0.21 -1.25 -4.78 119.66 119.98 2ai6 s GLN 82 Ca 0.46 -0.83 0.20 0.00 0.02 0.00 0.00 55.36 55.20 2ai6 s GLN 82 Cb -0.22 -2.32 1.39 0.00 1.00 0.00 0.00 33.01 32.87 2ai6 s GLN 82 CO 0.27 0.32 2.16 0.77 -2.12 0.00 0.00 175.29 176.69 2ai6 h SER 83 N 6.28 0.00 0.93 5.90 0.02 -1.97 -3.01 113.55 121.71 2ai6 h SER 83 Ca -0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 2ai6 h SER 83 Cb 1.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2ai6 h SER 83 CO 0.49 0.00 -0.09 0.06 -1.14 0.00 0.00 176.83 176.15 2ai6 h GLN 84 N 0.00 0.00 -2.57 3.45 -0.00 -1.97 -3.44 115.11 110.59 2ai6 h GLN 84 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.57 2ai6 h GLN 84 Cb 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.33 2ai6 h GLN 84 CO -0.00 0.09 -0.14 0.34 -0.00 0.00 0.00 178.83 179.12 2ai6 s ASP 85 N -5.90 -0.50 0.45 0.06 -1.08 -1.14 -5.05 116.67 103.51 2ai6 s ASP 85 Ca 0.01 0.92 0.28 0.00 -0.52 0.00 0.00 52.55 53.24 2ai6 s ASP 85 Cb 0.10 0.94 1.35 0.00 -1.46 0.00 0.00 42.92 43.84 2ai6 s ASP 85 CO 0.58 -0.20 1.72 0.11 0.52 0.00 0.00 175.17 177.90 2ai6 h LYS 86 N 5.21 0.18 -6.29 4.34 1.79 -1.85 -3.40 116.57 116.55 2ai6 h LYS 86 Ca -0.27 -0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 57.55 2ai6 h LYS 86 Cb 1.17 -0.04 0.11 0.00 -1.58 0.00 0.00 32.23 31.90 2ai6 h LYS 86 CO 0.22 0.12 -0.13 1.17 -1.08 0.00 0.00 179.45 179.74 2ai6 n LYS 87 N -4.51 0.83 -3.70 3.15 4.81 -1.26 -4.80 118.16 112.68 2ai6 n LYS 87 Ca 0.30 0.29 -0.24 0.00 -0.87 0.00 0.00 58.31 57.80 2ai6 n LYS 87 Cb 1.21 -1.52 -0.02 0.00 0.02 0.00 0.00 35.03 34.72 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 -1.05 5.20 0.08 3.15 1.01 -1.05 -3.83 121.20 124.70 2ai6 s ILE 88 Ca 0.61 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2ai6 s ILE 88 Cb -0.78 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 37.83 2ai6 s ILE 88 CO 0.58 -0.36 -0.14 -2.28 0.00 0.00 0.00 174.94 172.75 2ai6 s HIS 89 N -2.05 1.23 -0.11 3.97 2.46 -0.49 -2.06 115.29 118.23 2ai6 s HIS 89 Ca 0.37 -0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2ai6 s HIS 89 Cb -0.10 -0.69 0.02 0.00 -0.13 0.00 0.00 32.58 31.69 2ai6 s HIS 89 CO 0.31 0.06 -0.10 0.08 -2.47 0.00 0.00 174.74 172.62 2ai6 s VAL 90 N -1.36 1.19 0.12 0.89 1.01 -0.52 -1.32 120.40 120.40 2ai6 s VAL 90 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 2ai6 s VAL 90 Cb -0.09 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.15 2ai6 s VAL 90 CO 0.02 0.39 0.24 0.00 0.00 0.00 0.00 175.10 175.75 2ai6 n TYR 91 N 4.63 -1.39 -4.40 5.22 4.11 -0.57 -2.61 117.16 122.15 2ai6 n TYR 91 Ca -0.16 -0.58 0.00 0.00 -0.00 0.00 0.00 57.90 57.16 2ai6 n TYR 91 Cb 0.50 0.28 0.00 0.00 -0.00 0.00 0.00 39.34 40.12 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 -0.16 -0.55 3.28 -7.48 0.00 -0.19 -0.71 105.19 99.38 2ai6 n GLY 92 Ca -0.03 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.18 0.08 1.61 1.13 -1.26 -4.75 117.35 113.98 2ai6 s TYR 93 Ca 0.00 0.13 -0.31 0.00 -1.41 0.00 0.00 57.07 55.48 2ai6 s TYR 93 Cb 0.00 0.14 -0.07 0.00 -1.10 0.00 0.00 41.96 40.93 2ai6 s TYR 93 CO 0.00 -0.50 1.40 0.45 -2.51 0.00 0.00 175.55 174.39 2ai6 s SER 94 N -1.88 6.83 0.44 -0.18 0.15 -0.34 -4.51 113.70 114.21 2ai6 s SER 94 Ca -0.07 2.26 0.31 0.00 0.70 0.00 0.00 55.95 59.15 2ai6 s SER 94 Cb -0.02 -2.58 1.48 0.00 -1.71 0.00 0.00 66.02 63.20 2ai6 s SER 94 CO -0.01 -0.68 1.93 -0.03 1.20 0.00 0.00 173.24 175.64 2ai6 h MET 95 N 7.19 0.00 0.00 5.44 4.05 -1.92 0.14 114.93 129.83 2ai6 h MET 95 Ca -0.41 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.72 2ai6 h MET 95 Cb 1.20 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.95 2ai6 h MET 95 CO 0.88 0.00 -2.12 0.00 0.23 0.00 0.00 176.91 175.89 2ai6 n ALA 96 N -1.92 1.63 -0.37 0.39 0.00 -1.26 -4.76 120.51 114.21 2ai6 n ALA 96 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2ai6 n ALA 96 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2ai6 n ALA 96 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ai6 n TYR 97 N -2.59 0.00 -0.92 0.00 4.01 -1.18 -5.13 117.16 111.35 2ai6 n TYR 97 Ca -0.26 -0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.50 2ai6 n TYR 97 Cb 1.02 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.04 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 -0.00 -2.16 3.72 2.72 0.00 0.03 -4.35 105.19 105.14 2ai6 n GLY 98 Ca 0.00 -1.46 -0.42 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 -0.99 4.36 0.91 1.61 0.04 -1.26 -1.63 135.00 138.03 2ai6 s PRO 99 Ca 0.00 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 2ai6 s PRO 99 Cb 0.00 -3.25 0.13 0.00 0.04 0.00 0.00 34.50 31.42 2ai6 s PRO 99 CO 0.00 -0.36 1.11 0.00 0.04 0.00 0.00 177.00 177.79 2ai6 s ALA 100 N 0.86 1.61 -1.32 8.56 0.00 -1.01 -4.62 121.76 125.85 2ai6 s ALA 100 Ca 0.62 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 2ai6 s ALA 100 Cb -0.35 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.71 2ai6 s ALA 100 CO 0.32 -2.32 1.86 1.04 0.00 0.00 0.00 175.76 176.65 2ai6 n GLN 101 N -3.83 2.99 0.30 0.00 6.02 -1.26 -4.80 117.38 116.80 2ai6 n GLN 101 Ca 0.06 -3.06 0.18 0.00 -0.01 0.00 0.00 57.00 54.18 2ai6 n GLN 101 Cb 0.57 -3.46 0.97 0.00 1.02 0.00 0.00 30.24 29.34 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 7.39 0.00 -0.92 1.08 3.86 -1.95 0.79 115.15 125.39 2ai6 h HIS 102 Ca 0.46 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.79 2ai6 h HIS 102 Cb 0.82 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.22 2ai6 h HIS 102 CO 1.42 0.00 0.59 0.00 0.86 0.00 0.00 177.93 180.80 2ai6 h ALA 103 N 1.78 1.70 -0.06 2.45 0.00 -1.97 -1.29 119.26 121.86 2ai6 h ALA 103 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ai6 h ALA 103 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ai6 h ALA 103 CO 0.00 0.07 0.03 0.82 0.00 0.00 0.00 179.25 180.17 2ai6 h ILE 104 N 0.82 1.11 -0.36 0.00 1.08 -1.24 -1.69 117.51 117.23 2ai6 h ILE 104 Ca 0.45 -0.32 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 2ai6 h ILE 104 Cb 0.58 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 2ai6 h ILE 104 CO -0.21 0.09 0.06 0.28 -0.69 0.00 0.00 178.15 177.68 2ai6 h SER 105 N -0.02 -0.01 -0.46 1.72 0.02 -1.41 0.12 113.55 113.50 2ai6 h SER 105 Ca 0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2ai6 h SER 105 Cb 0.12 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2ai6 h SER 105 CO -0.00 0.03 0.25 0.71 -1.14 0.00 0.00 176.83 176.68 2ai6 h THR 106 N 0.18 1.17 -0.32 -2.27 1.35 -1.19 0.69 112.91 112.52 2ai6 h THR 106 Ca 0.17 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 2ai6 h THR 106 Cb 0.20 0.62 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 2ai6 h THR 106 CO -0.23 0.18 0.18 -0.33 -0.25 0.00 0.00 175.52 175.07 2ai6 h GLU 107 N 0.61 0.44 0.45 4.72 5.08 -0.69 -1.11 114.58 124.08 2ai6 h GLU 107 Ca 0.16 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2ai6 h GLU 107 Cb 0.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2ai6 h GLU 107 CO -0.02 0.36 -0.21 0.87 -1.00 0.00 0.00 179.01 179.00 2ai6 h LYS 108 N 0.40 -0.58 -0.34 2.33 1.79 -0.60 -2.32 116.57 117.25 2ai6 h LYS 108 Ca 0.11 0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 2ai6 h LYS 108 Cb 0.05 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2ai6 h LYS 108 CO -0.02 -0.33 0.14 0.82 -1.08 0.00 0.00 179.45 178.98 2ai6 h ILE 109 N -0.71 1.18 -0.99 1.86 2.04 -0.84 -0.95 117.51 119.10 2ai6 h ILE 109 Ca -0.06 -0.54 0.02 0.00 1.00 0.00 0.00 64.86 65.27 2ai6 h ILE 109 Cb 0.52 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 2ai6 h ILE 109 CO 0.10 0.19 0.65 0.11 0.00 0.00 0.00 178.15 179.21 2ai6 h LYS 110 N 0.40 1.29 -0.44 2.37 1.57 -1.20 -0.98 116.57 119.56 2ai6 h LYS 110 Ca 0.11 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2ai6 h LYS 110 Cb 0.17 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2ai6 h LYS 110 CO -0.01 0.85 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 2ai6 h ALA 111 N 1.37 0.59 0.00 3.86 0.00 -1.07 -3.28 119.26 120.73 2ai6 h ALA 111 Ca 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ai6 h ALA 111 Cb -0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2ai6 h ALA 111 CO -0.09 0.31 -0.12 1.17 0.00 0.00 0.00 179.25 180.52 2ai6 n LYS 112 N -4.47 0.26 -3.81 0.00 3.00 -0.39 -4.97 118.16 107.77 2ai6 n LYS 112 Ca 0.00 0.18 -0.24 0.00 -0.00 0.00 0.00 58.31 58.25 2ai6 n LYS 112 Cb 0.25 -1.77 0.01 0.00 0.00 0.00 0.00 35.03 33.52 2ai6 n LYS 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2ai6 n TYR 113 N -2.20 -1.79 0.37 5.64 4.01 -0.45 -4.90 117.16 117.83 2ai6 n TYR 113 Ca 0.05 0.76 0.14 0.00 -0.16 0.00 0.00 57.90 58.70 2ai6 n TYR 113 Cb 0.43 -4.01 0.51 0.00 -0.31 0.00 0.00 39.34 35.95 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2ai6 h PRO 114 N -1.85 0.00 0.00 -0.72 0.13 -1.93 -3.44 132.00 124.20 2ai6 h PRO 114 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2ai6 h PRO 114 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2ai6 h PRO 114 CO 0.58 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.88 2ai6 n ASP 115 N -2.65 0.00 0.00 1.44 2.03 -1.26 -5.03 116.55 111.08 2ai6 n ASP 115 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2ai6 n ASP 115 Cb 0.32 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2ai6 n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ai6 n TYR 116 N -1.66 -1.31 -3.62 -0.67 4.19 -1.26 -5.16 117.16 107.67 2ai6 n TYR 116 Ca 0.00 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.09 2ai6 n TYR 116 Cb 0.00 0.30 -0.05 0.00 0.49 0.00 0.00 39.34 40.07 2ai6 n TYR 116 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2ai6 s GLU 117 N -0.59 1.01 0.13 2.98 2.12 -1.26 -4.93 118.70 118.15 2ai6 s GLU 117 Ca 0.00 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 54.88 2ai6 s GLU 117 Cb 0.00 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.81 2ai6 s GLU 117 CO 0.00 -0.37 0.09 0.14 -0.54 0.00 0.00 175.26 174.58 2ai6 s VAL 118 N -2.87 0.11 0.26 3.70 -7.23 -1.26 -2.53 120.40 110.58 2ai6 s VAL 118 Ca -0.03 -1.79 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2ai6 s VAL 118 Cb -0.00 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2ai6 s VAL 118 CO -0.05 -0.49 0.15 0.42 -0.31 0.00 0.00 175.10 174.82 2ai6 s THR 119 N -4.02 0.20 0.20 5.32 -4.23 -0.87 -4.97 115.64 107.28 2ai6 s THR 119 Ca 0.21 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.68 2ai6 s THR 119 Cb 0.07 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 2ai6 s THR 119 CO 0.00 0.00 0.20 -1.66 -0.54 0.00 0.00 174.62 172.62 2ai6 s TRP 120 N -3.82 0.95 -0.06 3.99 1.48 -1.26 -1.45 118.94 118.78 2ai6 s TRP 120 Ca 0.38 -1.21 -0.08 0.00 -1.06 0.00 0.00 56.10 54.12 2ai6 s TRP 120 Cb 0.06 -0.38 0.02 0.00 -1.16 0.00 0.00 33.47 32.01 2ai6 s TRP 120 CO 0.16 -0.71 0.21 0.00 -4.06 0.00 0.00 176.95 172.55 2ai6 s ALA 121 N -4.12 -0.52 -0.20 2.67 0.00 -1.07 -4.94 121.76 113.57 2ai6 s ALA 121 Ca 0.34 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2ai6 s ALA 121 Cb 0.05 -0.22 0.11 0.00 0.00 0.00 0.00 23.12 23.06 2ai6 s ALA 121 CO 0.10 -0.14 2.15 -1.71 0.00 0.00 0.00 175.76 176.16 2ai6 n ASN 122 N 2.47 6.03 -1.56 0.00 5.15 -1.26 -4.41 115.26 121.69 2ai6 n ASN 122 Ca -0.16 -2.82 -0.03 0.00 -0.60 0.00 0.00 54.58 50.97 2ai6 n ASN 122 Cb 0.58 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 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 0.89 -0.57 0.00 1.20 -0.08 -1.26 -5.01 116.55 111.72 2ai6 n ASP 123 Ca 0.22 -1.51 0.00 0.00 -1.51 0.00 0.00 54.79 51.99 2ai6 n ASP 123 Cb 0.57 0.98 0.00 0.00 2.34 0.00 0.00 41.12 45.01 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 -0.16 -1.72 0.00 0.27 0.00 -1.26 -1.02 105.19 101.30 2ai6 n GLY 124 Ca -0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60