#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ai6 s ALA 2 N 0.00 2.64 0.80 -5.12 0.00 -1.26 -5.02 121.76 113.81 2ai6 s ALA 2 Ca 0.00 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 2ai6 s ALA 2 Cb 0.00 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.68 2ai6 s ALA 2 CO 0.00 -1.30 1.10 0.14 0.00 0.00 0.00 175.76 175.70 2ai6 s VAL 3 N -1.43 3.07 1.14 0.00 -7.23 -1.26 -5.06 120.40 109.63 2ai6 s VAL 3 Ca 0.75 0.35 -0.16 0.00 -1.81 0.00 0.00 61.98 61.11 2ai6 s VAL 3 Cb -0.36 -2.74 0.25 0.00 0.56 0.00 0.00 36.38 34.09 2ai6 s VAL 3 CO 0.40 -0.45 1.08 0.00 -0.31 0.00 0.00 175.10 175.82 2ai6 s ALA 4 N -2.86 0.49 0.04 1.32 0.00 -1.26 -5.09 121.76 114.40 2ai6 s ALA 4 Ca 0.62 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 2ai6 s ALA 4 Cb -0.18 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2ai6 s ALA 4 CO 0.56 -3.41 0.19 0.34 0.00 0.00 0.00 175.76 173.44 2ai6 s ASP 5 N -3.50 0.05 0.52 0.00 2.15 -1.26 -4.67 116.67 109.95 2ai6 s ASP 5 Ca 0.68 -0.40 0.25 0.00 0.43 0.00 0.00 52.55 53.51 2ai6 s ASP 5 Cb -0.15 0.29 1.36 0.00 -0.30 0.00 0.00 42.92 44.12 2ai6 s ASP 5 CO 0.58 -0.57 1.96 -0.07 -0.17 0.00 0.00 175.17 176.90 2ai6 h LEU 6 N 3.41 0.06 -0.83 -1.34 3.38 -1.96 0.52 115.31 118.56 2ai6 h LEU 6 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 2ai6 h LEU 6 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2ai6 h LEU 6 CO 0.49 0.03 -0.28 0.00 0.09 0.00 0.00 178.44 178.77 2ai6 h ALA 7 N 1.68 0.95 0.00 1.53 0.00 -2.02 -3.21 119.26 118.19 2ai6 h ALA 7 Ca 0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ai6 h ALA 7 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2ai6 h ALA 7 CO -0.02 0.36 -0.83 -0.07 0.00 0.00 0.00 179.25 178.68 2ai6 h LEU 8 N 0.00 0.00 -9.59 0.00 3.38 -1.31 -3.46 115.31 104.33 2ai6 h LEU 8 Ca -0.00 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 2ai6 h LEU 8 Cb 0.90 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.71 2ai6 h LEU 8 CO 0.04 0.00 0.85 -0.38 0.09 0.00 0.00 178.44 179.04 2ai6 n ILE 9 N -2.74 0.20 -1.50 1.22 5.41 -1.05 -4.88 119.36 116.03 2ai6 n ILE 9 Ca 0.01 -0.05 -0.49 0.00 1.00 0.00 0.00 62.75 63.22 2ai6 n ILE 9 Cb 0.55 -1.71 -0.06 0.00 -0.71 0.00 0.00 39.64 37.71 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 3.31 1.35 0.04 0.38 -0.02 -1.26 -4.84 135.00 133.96 2ai6 n PRO 10 Ca 0.15 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.93 2ai6 n PRO 10 Cb 0.32 -2.68 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 12.97 0.47 -3.62 2.55 3.58 -1.91 -3.44 116.42 127.03 2ai6 h ASP 11 Ca -0.32 -0.25 -0.23 0.00 0.42 0.00 0.00 57.03 56.65 2ai6 h ASP 11 Cb 1.30 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 41.92 2ai6 h ASP 11 CO 1.00 0.93 -0.62 -0.69 -2.88 0.00 0.00 179.24 176.98 2ai6 s VAL 12 N -3.92 -0.02 -0.28 2.25 1.01 -1.26 -2.10 120.40 116.08 2ai6 s VAL 12 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2ai6 s VAL 12 Cb 0.12 -0.17 0.16 0.00 0.00 0.00 0.00 36.38 36.49 2ai6 s VAL 12 CO 0.82 0.04 0.46 -0.62 0.00 0.00 0.00 175.10 175.80 2ai6 s ASP 13 N 0.57 -0.32 0.05 3.32 2.15 -0.80 -4.99 116.67 116.65 2ai6 s ASP 13 Ca -0.04 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.14 2ai6 s ASP 13 Cb -0.06 1.47 -0.03 0.00 -0.30 0.00 0.00 42.92 44.00 2ai6 s ASP 13 CO -0.02 -0.31 -0.10 0.27 -0.17 0.00 0.00 175.17 174.84 2ai6 s ILE 14 N 2.65 0.76 1.07 4.11 -4.36 -1.26 -3.65 121.20 120.52 2ai6 s ILE 14 Ca 0.13 -1.15 -0.14 0.00 -0.26 0.00 0.00 60.65 59.23 2ai6 s ILE 14 Cb -0.14 -0.78 0.22 0.00 1.25 0.00 0.00 42.46 43.01 2ai6 s ILE 14 CO -0.23 -0.31 1.10 -0.62 0.24 0.00 0.00 174.94 175.12 2ai6 s ASP 15 N -1.61 2.05 0.00 4.36 2.15 -0.62 -5.00 116.67 118.00 2ai6 s ASP 15 Ca -0.07 1.00 0.00 0.00 0.43 0.00 0.00 52.55 53.92 2ai6 s ASP 15 Cb -0.10 -1.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 2ai6 s ASP 15 CO 0.01 -3.47 0.00 -1.20 -0.17 0.00 0.00 175.17 170.34 2ai6 n SER 16 N -4.37 0.00 0.22 -0.34 7.64 -1.26 -4.96 113.62 110.55 2ai6 n SER 16 Ca 0.07 -0.74 0.07 0.00 1.01 0.00 0.00 58.87 59.28 2ai6 n SER 16 Cb 0.58 0.00 0.53 0.00 -1.01 0.00 0.00 64.21 64.31 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 0.00 0.00 6.43 3.58 -2.00 -3.48 116.42 120.95 2ai6 h ASP 17 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ai6 h ASP 17 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2ai6 h ASP 17 CO 0.00 0.22 0.00 0.61 -2.88 0.00 0.00 179.24 177.19 2ai6 n GLY 18 N -0.74 -0.69 3.77 -0.78 0.00 -1.26 -5.13 105.19 100.36 2ai6 n GLY 18 Ca -0.02 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2ai6 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ai6 s VAL 19 N -3.66 2.85 0.22 1.61 1.01 -1.26 -4.58 120.40 116.59 2ai6 s VAL 19 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 2ai6 s VAL 19 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2ai6 s VAL 19 CO 0.00 0.12 0.56 0.72 0.00 0.00 0.00 175.10 176.50 2ai6 s PHE 20 N -1.28 -0.04 0.20 5.22 -0.12 -0.53 -4.74 117.98 116.69 2ai6 s PHE 20 Ca 0.55 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 57.09 2ai6 s PHE 20 Cb -0.36 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2ai6 s PHE 20 CO 0.46 -1.01 0.39 0.15 -0.05 0.00 0.00 175.22 175.17 2ai6 s LYS 21 N -3.91 3.53 0.22 1.99 3.01 -1.26 -0.66 119.74 122.66 2ai6 s LYS 21 Ca 0.12 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 54.76 2ai6 s LYS 21 Cb -0.02 -2.83 -0.05 0.00 -1.01 0.00 0.00 37.83 33.92 2ai6 s LYS 21 CO 0.02 0.40 0.08 1.52 0.51 0.00 0.00 175.35 177.88 2ai6 s TYR 22 N -1.87 1.35 0.03 3.18 1.13 -0.26 -2.68 117.35 118.24 2ai6 s TYR 22 Ca 0.39 -1.19 -0.05 0.00 -1.41 0.00 0.00 57.07 54.80 2ai6 s TYR 22 Cb -0.11 -0.76 -0.01 0.00 -1.10 0.00 0.00 41.96 39.98 2ai6 s TYR 22 CO 0.29 -0.39 0.09 0.54 -2.51 0.00 0.00 175.55 173.58 2ai6 s VAL 23 N -3.84 0.13 -0.23 -3.49 0.11 -0.27 -2.56 120.40 110.25 2ai6 s VAL 23 Ca 0.34 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2ai6 s VAL 23 Cb 0.07 -0.83 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2ai6 s VAL 23 CO 0.11 -0.58 -0.12 -0.22 -3.33 0.00 0.00 175.10 170.96 2ai6 s LEU 24 N -2.04 2.96 -0.09 2.54 2.96 -0.61 -2.65 118.68 121.77 2ai6 s LEU 24 Ca -0.06 -0.98 0.04 0.00 -0.22 0.00 0.00 54.13 52.91 2ai6 s LEU 24 Cb -0.02 -1.57 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 2ai6 s LEU 24 CO -0.04 -0.11 -0.24 0.27 -1.32 0.00 0.00 176.35 174.91 2ai6 s ILE 25 N 1.24 2.00 0.35 6.68 -4.36 -0.84 -0.58 121.20 125.68 2ai6 s ILE 25 Ca -0.01 -1.00 -0.25 0.00 -0.26 0.00 0.00 60.65 59.12 2ai6 s ILE 25 Cb -0.17 -1.72 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 2ai6 s ILE 25 CO -0.07 0.55 0.98 -0.60 0.24 0.00 0.00 174.94 176.03 2ai6 s ARG 26 N 0.22 4.46 0.00 0.37 3.52 0.38 -0.92 118.95 126.97 2ai6 s ARG 26 Ca -0.14 1.38 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 2ai6 s ARG 26 Cb -0.17 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 2ai6 s ARG 26 CO 0.07 0.15 -0.04 0.54 -0.81 0.00 0.00 175.30 175.21 2ai6 s VAL 27 N -1.65 0.33 0.08 7.11 0.11 0.04 -1.49 120.40 124.93 2ai6 s VAL 27 Ca 0.53 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 59.30 2ai6 s VAL 27 Cb -0.19 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2ai6 s VAL 27 CO 0.25 0.00 0.02 -1.00 -3.33 0.00 0.00 175.10 171.04 2ai6 s HIS 28 N -0.32 3.04 -0.54 1.54 0.09 -0.80 -1.88 115.29 116.43 2ai6 s HIS 28 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 55.06 54.79 2ai6 s HIS 28 Cb -0.03 -1.56 -0.05 0.00 -0.00 0.00 0.00 32.58 30.94 2ai6 s HIS 28 CO -0.00 0.49 2.21 -1.12 -0.00 0.00 0.00 174.74 176.32 2ai6 s SER 29 N -2.28 4.73 0.00 1.40 0.01 -0.47 -4.32 113.70 112.77 2ai6 s SER 29 Ca 0.26 0.80 0.01 0.00 1.31 0.00 0.00 55.95 58.33 2ai6 s SER 29 Cb -0.12 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2ai6 s SER 29 CO 0.19 -2.71 0.71 0.00 0.41 0.00 0.00 173.24 171.84 2ai6 n ALA 30 N 14.80 2.23 -1.55 1.44 0.00 -1.26 -4.54 120.51 131.64 2ai6 n ALA 30 Ca 0.31 -0.44 -0.48 0.00 0.00 0.00 0.00 53.44 52.83 2ai6 n ALA 30 Cb 0.54 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 0.02 0.96 -1.84 0.00 -0.02 -1.26 -1.19 135.00 131.67 2ai6 n PRO 31 Ca -0.03 0.34 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2ai6 n PRO 31 Cb 0.60 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.29 -1.87 -2.88 -0.52 5.12 0.23 -1.58 116.66 116.45 2ai6 n ARG 32 Ca 0.14 0.36 -0.17 0.00 -1.93 0.00 0.00 57.85 56.25 2ai6 n ARG 32 Cb 0.26 -4.70 -0.00 0.00 -1.16 0.00 0.00 32.46 26.85 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 -0.73 -3.84 -0.83 0.55 7.64 -0.33 -4.83 113.62 111.26 2ai6 n SER 33 Ca -0.07 -0.07 0.01 0.00 1.01 0.00 0.00 58.87 59.74 2ai6 n SER 33 Cb 0.39 -3.22 -0.00 0.00 -1.01 0.00 0.00 64.21 60.37 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 -1.00 0.72 3.74 0.23 0.00 -0.62 -5.10 105.19 103.16 2ai6 n GLY 34 Ca -0.08 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 2.42 -1.20 4.61 0.00 -1.20 -4.92 121.76 121.47 2ai6 s ALA 35 Ca 0.10 1.13 0.25 0.00 0.00 0.00 0.00 51.96 53.44 2ai6 s ALA 35 Cb 0.11 -3.52 1.16 0.00 0.00 0.00 0.00 23.12 20.87 2ai6 s ALA 35 CO -0.05 -1.47 1.82 -0.35 0.00 0.00 0.00 175.76 175.71 2ai6 n PRO 36 N -1.84 0.17 -2.63 0.00 -0.04 -1.26 -4.90 135.00 124.49 2ai6 n PRO 36 Ca 0.15 0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2ai6 n PRO 36 Cb 0.49 -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 -1.40 -0.49 -2.71 0.55 0.00 -1.26 -5.09 120.51 110.11 2ai6 n ALA 37 Ca 0.09 -0.75 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 2ai6 n ALA 37 Cb 0.25 0.60 0.01 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.80 3.60 -1.56 0.00 0.00 -1.26 -4.68 120.51 114.80 2ai6 n ALA 38 Ca -0.08 -3.48 -0.17 0.00 0.00 0.00 0.00 53.44 49.71 2ai6 n ALA 38 Cb 0.30 -0.85 0.18 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.10 -1.56 -3.66 0.00 1.02 -1.26 -4.77 120.64 110.30 2ai6 n GLU 39 Ca 0.18 -1.64 -0.11 0.00 -0.02 0.00 0.00 57.16 55.58 2ai6 n GLU 39 Cb 0.74 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.91 2ai6 n GLU 39 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2ai6 s SER 40 N -4.74 -0.20 0.24 1.62 0.01 -1.26 -1.37 113.70 107.99 2ai6 s SER 40 Ca 0.62 -0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.39 2ai6 s SER 40 Cb -0.03 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.67 2ai6 s SER 40 CO 0.44 -0.81 0.57 -1.59 0.41 0.00 0.00 173.24 172.25 2ai6 s LYS 41 N -3.65 1.55 0.13 12.44 0.00 -0.79 -4.99 119.74 124.44 2ai6 s LYS 41 Ca 0.02 -1.02 0.05 0.00 0.00 0.00 0.00 55.97 55.03 2ai6 s LYS 41 Cb 0.02 0.53 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 2ai6 s LYS 41 CO -0.11 -0.67 0.05 -1.21 0.00 0.00 0.00 175.35 173.41 2ai6 s GLU 42 N -3.93 2.65 0.11 1.78 8.01 -1.26 -0.78 118.70 125.28 2ai6 s GLU 42 Ca 0.14 -0.90 0.06 0.00 0.01 0.00 0.00 54.97 54.27 2ai6 s GLU 42 Cb -0.02 -2.54 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 2ai6 s GLU 42 CO 0.04 0.50 -0.14 0.96 0.01 0.00 0.00 175.26 176.63 2ai6 s ILE 43 N -1.57 1.26 -0.22 -1.63 -4.36 -0.10 -4.97 121.20 109.61 2ai6 s ILE 43 Ca 0.28 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 2ai6 s ILE 43 Cb -0.11 -1.41 0.04 0.00 1.25 0.00 0.00 42.46 42.24 2ai6 s ILE 43 CO 0.20 -0.37 -0.15 -0.69 0.24 0.00 0.00 174.94 174.17 2ai6 s VAL 44 N -1.92 2.13 0.03 8.37 1.01 -0.89 -1.99 120.40 127.14 2ai6 s VAL 44 Ca 0.06 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.78 2ai6 s VAL 44 Cb -0.06 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2ai6 s VAL 44 CO 0.03 0.26 -0.07 -0.13 0.00 0.00 0.00 175.10 175.18 2ai6 s ARG 45 N 1.20 0.50 0.00 2.72 1.81 -1.08 -1.91 118.95 122.19 2ai6 s ARG 45 Ca -0.02 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 2ai6 s ARG 45 Cb -0.16 -0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.03 2ai6 s ARG 45 CO -0.09 0.06 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 2ai6 n GLY 46 N 1.73 1.40 3.41 -3.53 0.00 -1.24 -1.11 105.19 105.85 2ai6 n GLY 46 Ca -0.21 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.67 -0.46 0.48 1.61 1.51 -1.09 -1.58 117.35 117.15 2ai6 s TYR 47 Ca 0.00 0.65 0.14 0.00 -1.01 0.00 0.00 57.07 56.84 2ai6 s TYR 47 Cb 0.00 0.32 1.14 0.00 -0.11 0.00 0.00 41.96 43.30 2ai6 s TYR 47 CO 0.00 -0.59 2.10 -0.22 -1.11 0.00 0.00 175.55 175.74 2ai6 h LYS 48 N 3.05 0.19 0.00 -0.62 3.64 -1.87 -1.37 116.57 119.60 2ai6 h LYS 48 Ca -0.29 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 2ai6 h LYS 48 Cb 1.18 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2ai6 h LYS 48 CO 0.40 0.13 -0.16 0.11 -2.27 0.00 0.00 179.45 177.66 2ai6 h TRP 49 N 0.20 0.00 -1.58 1.91 5.08 -1.97 -3.28 115.95 116.31 2ai6 h TRP 49 Ca 0.08 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.35 2ai6 h TRP 49 Cb 0.06 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 26.09 2ai6 h TRP 49 CO -0.00 0.16 1.65 0.00 -1.28 0.00 0.00 178.44 178.97 2ai6 s ALA 50 N -4.41 3.54 -0.40 0.11 0.00 -0.51 -4.79 121.76 115.30 2ai6 s ALA 50 Ca -0.03 -3.02 0.20 0.00 0.00 0.00 0.00 51.96 49.11 2ai6 s ALA 50 Cb 0.14 -4.36 0.98 0.00 0.00 0.00 0.00 23.12 19.88 2ai6 s ALA 50 CO 0.64 -3.09 1.61 0.39 0.00 0.00 0.00 175.76 175.31 2ai6 n GLU 51 N 7.14 0.14 -3.91 0.00 1.02 -1.24 -4.16 120.64 119.63 2ai6 n GLU 51 Ca 0.40 0.54 -0.11 0.00 -0.02 0.00 0.00 57.16 57.97 2ai6 n GLU 51 Cb 0.46 -1.87 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 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 -3.40 0.08 0.46 -0.32 1.13 -1.26 -4.92 117.35 109.12 2ai6 s TYR 52 Ca 0.00 -0.16 0.14 0.00 -1.41 0.00 0.00 57.07 55.63 2ai6 s TYR 52 Cb 0.07 -0.07 1.05 0.00 -1.10 0.00 0.00 41.96 41.91 2ai6 s TYR 52 CO 0.24 -0.09 2.04 0.45 -2.51 0.00 0.00 175.55 175.69 2ai6 h HIS 53 N 5.52 0.09 0.00 -3.49 3.86 -1.88 -1.18 115.15 118.06 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 1.21 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ai6 h HIS 53 CO 0.51 0.16 -0.09 0.00 0.86 0.00 0.00 177.93 179.37 2ai6 h ALA 54 N 1.85 1.71 -0.14 2.45 0.00 -1.96 -1.24 119.26 121.94 2ai6 h ALA 54 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ai6 h ALA 54 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ai6 h ALA 54 CO 0.01 0.11 -0.00 0.22 0.00 0.00 0.00 179.25 179.59 2ai6 h ASP 55 N 0.00 0.24 -0.46 0.00 3.58 -1.59 -0.96 116.42 117.22 2ai6 h ASP 55 Ca -0.00 -0.31 -0.13 0.00 0.42 0.00 0.00 57.03 57.01 2ai6 h ASP 55 Cb 0.17 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2ai6 h ASP 55 CO 0.01 0.49 -0.23 0.16 -2.88 0.00 0.00 179.24 176.79 2ai6 h ILE 56 N -0.02 1.27 -0.39 2.25 3.07 -1.62 -0.87 117.51 121.20 2ai6 h ILE 56 Ca 0.04 -1.39 0.02 0.00 1.55 0.00 0.00 64.86 65.08 2ai6 h ILE 56 Cb 0.37 1.18 -0.03 0.00 -0.27 0.00 0.00 36.82 38.07 2ai6 h ILE 56 CO 0.01 0.48 0.22 0.22 -1.05 0.00 0.00 178.15 178.02 2ai6 h TYR 57 N 0.81 0.40 -0.09 0.16 3.20 -1.11 0.97 116.97 121.31 2ai6 h TYR 57 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2ai6 h TYR 57 Cb 0.81 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 2ai6 h TYR 57 CO 0.06 0.23 0.01 0.22 -1.64 0.00 0.00 178.16 177.03 2ai6 h ASP 58 N 0.44 0.14 0.19 -2.11 3.58 -1.09 -0.69 116.42 116.88 2ai6 h ASP 58 Ca 0.16 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2ai6 h ASP 58 Cb 0.04 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ai6 h ASP 58 CO -0.09 0.37 -0.09 0.50 -2.88 0.00 0.00 179.24 177.05 2ai6 h LYS 59 N -0.09 -0.24 -0.26 0.28 3.64 -0.97 -0.06 116.57 118.87 2ai6 h LYS 59 Ca 0.03 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2ai6 h LYS 59 Cb 0.29 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2ai6 h LYS 59 CO 0.00 -0.15 -0.06 0.28 -2.27 0.00 0.00 179.45 177.25 2ai6 h VAL 60 N -0.26 1.28 0.00 2.00 2.07 -0.84 -1.78 116.25 118.72 2ai6 h VAL 60 Ca -0.03 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 2ai6 h VAL 60 Cb 0.20 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2ai6 h VAL 60 CO 0.04 0.33 -0.14 0.28 0.02 0.00 0.00 177.57 178.11 2ai6 h SER 61 N 0.25 0.00 -0.05 0.57 0.02 -1.06 0.69 113.55 113.97 2ai6 h SER 61 Ca 0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2ai6 h SER 61 Cb 0.52 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2ai6 h SER 61 CO 0.02 0.14 0.03 1.23 -1.14 0.00 0.00 176.83 177.11 2ai6 h GLY 62 N 0.52 0.08 0.90 -3.77 0.00 -0.42 -0.06 103.07 100.32 2ai6 h GLY 62 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2ai6 h GLY 62 CO 0.02 0.04 0.10 -1.80 0.00 0.00 0.00 176.54 174.90 2ai6 h ASP 63 N -0.03 0.39 -0.67 0.19 1.82 -0.47 -0.29 116.42 117.35 2ai6 h ASP 63 Ca 0.02 -0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.51 2ai6 h ASP 63 Cb 0.11 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 2ai6 h ASP 63 CO -0.00 0.46 0.41 0.24 -1.61 0.00 0.00 179.24 178.75 2ai6 h MET 64 N 0.29 0.78 -0.15 0.28 2.86 -0.87 -0.70 114.93 117.42 2ai6 h MET 64 Ca 0.09 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 2ai6 h MET 64 Cb 0.21 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2ai6 h MET 64 CO -0.01 0.52 -0.40 1.96 1.06 0.00 0.00 176.91 180.04 2ai6 h GLN 65 N 0.80 0.32 -0.68 1.72 4.20 -0.79 0.86 115.11 121.55 2ai6 h GLN 65 Ca 0.28 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2ai6 h GLN 65 Cb 0.05 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2ai6 h GLN 65 CO -0.12 0.67 0.39 -0.22 -0.67 0.00 0.00 178.83 178.89 2ai6 h LYS 66 N 0.27 0.93 -0.57 1.46 3.64 -0.43 -2.08 116.57 119.80 2ai6 h LYS 66 Ca 0.03 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2ai6 h LYS 66 Cb 0.82 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2ai6 h LYS 66 CO 0.07 0.68 0.35 1.96 -2.27 0.00 0.00 179.45 180.24 2ai6 h GLN 67 N 0.93 0.77 0.00 1.90 4.20 -0.63 -3.46 115.11 118.82 2ai6 h GLN 67 Ca 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2ai6 h GLN 67 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 2ai6 h GLN 67 CO -0.04 0.55 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 2ai6 n GLY 68 N -1.16 0.01 3.69 3.46 0.00 0.08 -0.60 105.19 110.67 2ai6 n GLY 68 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.18 1.45 0.16 0.00 2.15 -1.26 -3.94 116.67 111.04 2ai6 s ASP 70 Ca 0.72 -0.40 -0.07 0.00 0.43 0.00 0.00 52.55 53.24 2ai6 s ASP 70 Cb -0.08 -0.10 -0.02 0.00 -0.30 0.00 0.00 42.92 42.43 2ai6 s ASP 70 CO 0.55 0.03 0.22 0.00 -0.17 0.00 0.00 175.17 175.80 2ai6 s GLU 72 N -4.00 0.39 -0.18 0.00 2.12 -0.56 -4.99 118.70 111.49 2ai6 s GLU 72 Ca 0.20 0.83 -0.29 0.00 0.36 0.00 0.00 54.97 56.07 2ai6 s GLU 72 Cb 0.04 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 2ai6 s GLU 72 CO 0.01 -0.17 1.72 0.00 -0.54 0.00 0.00 175.26 176.28 2ai6 h LEU 74 N 11.83 0.00 0.00 0.00 3.38 -1.20 -3.48 115.31 125.84 2ai6 h LEU 74 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 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 0.99 0.39 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2ai6 n GLY 75 N 0.19 -1.23 0.76 0.83 0.00 -1.22 -4.70 105.19 99.82 2ai6 n GLY 75 Ca -0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 44.96 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 1.64 0.00 -0.02 0.00 -0.70 -1.57 105.19 104.54 2ai6 n GLY 76 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.12 0.78 3.45 -0.02 0.00 -1.06 -1.55 105.19 106.68 2ai6 n GLY 77 Ca -0.01 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 2ai6 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ai6 s ARG 78 N -1.43 1.60 -0.04 1.61 3.52 0.08 -1.10 118.95 123.19 2ai6 s ARG 78 Ca 0.00 -1.52 0.03 0.00 -0.13 0.00 0.00 55.73 54.11 2ai6 s ARG 78 Cb 0.00 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 2ai6 s ARG 78 CO 0.00 0.40 -0.13 0.42 -0.81 0.00 0.00 175.30 175.18 2ai6 s ILE 79 N -1.77 1.14 -0.02 4.11 1.01 0.17 -1.63 121.20 124.20 2ai6 s ILE 79 Ca 0.22 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 2ai6 s ILE 79 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.39 2ai6 s ILE 79 CO 0.11 0.34 0.06 -0.44 0.00 0.00 0.00 174.94 175.01 2ai6 s SER 80 N 0.29 -0.04 0.75 3.58 0.01 -0.90 -1.45 113.70 115.93 2ai6 s SER 80 Ca -0.07 0.08 -0.13 0.00 1.31 0.00 0.00 55.95 57.14 2ai6 s SER 80 Cb -0.12 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.28 2ai6 s SER 80 CO 0.02 -0.04 1.14 -1.38 0.41 0.00 0.00 173.24 173.38 2ai6 s HIS 81 N -0.08 2.30 -0.52 2.43 -3.43 -1.26 -0.66 115.29 114.06 2ai6 s HIS 81 Ca -0.01 1.61 0.04 0.00 -0.80 0.00 0.00 55.06 55.89 2ai6 s HIS 81 Cb -0.01 -3.25 0.13 0.00 -1.43 0.00 0.00 32.58 28.03 2ai6 s HIS 81 CO 0.00 -2.14 0.27 -0.65 -2.00 0.00 0.00 174.74 170.23 2ai6 s GLN 82 N -4.34 1.88 0.47 -0.38 -0.21 -1.00 -4.85 119.66 111.23 2ai6 s GLN 82 Ca 0.67 -2.56 0.22 0.00 0.02 0.00 0.00 55.36 53.71 2ai6 s GLN 82 Cb -0.22 -3.14 1.22 0.00 1.00 0.00 0.00 33.01 31.87 2ai6 s GLN 82 CO 0.49 -1.13 1.65 0.77 -2.12 0.00 0.00 175.29 174.94 2ai6 h SER 83 N 6.45 0.00 -0.61 5.90 0.02 -1.89 0.24 113.55 123.67 2ai6 h SER 83 Ca -0.05 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2ai6 h SER 83 Cb 0.89 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2ai6 h SER 83 CO 0.65 0.00 0.40 1.56 -1.14 0.00 0.00 176.83 178.31 2ai6 h GLN 84 N 0.00 0.71 0.00 3.45 7.50 -1.97 -3.36 115.11 121.45 2ai6 h GLN 84 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2ai6 h GLN 84 Cb 0.48 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.85 2ai6 h GLN 84 CO 0.00 0.47 -0.13 -3.47 -1.50 0.00 0.00 178.83 174.20 2ai6 n ASP 85 N -4.46 0.00 0.00 1.46 2.03 -0.13 -5.05 116.55 110.40 2ai6 n ASP 85 Ca 0.07 -1.27 0.00 0.00 0.52 0.00 0.00 54.79 54.12 2ai6 n ASP 85 Cb 0.12 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 0.00 0.00 -1.19 -0.67 4.81 0.68 -4.96 118.16 116.83 2ai6 n LYS 86 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 58.31 56.98 2ai6 n LYS 86 Cb 0.55 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.54 2ai6 n LYS 86 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2ai6 n LYS 87 N 0.00 0.00 -0.68 1.64 4.01 -1.26 -2.38 118.16 119.49 2ai6 n LYS 87 Ca 0.00 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.51 2ai6 n LYS 87 Cb 0.00 -1.03 0.21 0.00 -0.51 0.00 0.00 35.03 33.70 2ai6 n LYS 87 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2ai6 s ILE 88 N 2.00 2.12 0.05 -0.18 -0.00 -1.26 -2.73 121.20 121.20 2ai6 s ILE 88 Ca 0.72 0.04 0.03 0.00 -0.00 0.00 0.00 60.65 61.44 2ai6 s ILE 88 Cb -1.02 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.46 39.28 2ai6 s ILE 88 CO 0.56 -0.05 -0.10 -2.28 -0.00 0.00 0.00 174.94 173.07 2ai6 s HIS 89 N -2.59 0.86 -0.13 1.37 2.46 0.16 -2.69 115.29 114.74 2ai6 s HIS 89 Ca 0.67 -0.48 0.01 0.00 0.47 0.00 0.00 55.06 55.73 2ai6 s HIS 89 Cb -0.23 -0.50 0.02 0.00 -0.13 0.00 0.00 32.58 31.74 2ai6 s HIS 89 CO 0.61 -0.03 -0.13 0.08 -2.47 0.00 0.00 174.74 172.80 2ai6 s VAL 90 N -1.31 1.47 0.25 0.89 1.01 -0.33 -2.13 120.40 120.25 2ai6 s VAL 90 Ca -0.07 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2ai6 s VAL 90 Cb -0.10 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 34.94 2ai6 s VAL 90 CO 0.01 0.44 0.51 0.00 0.00 0.00 0.00 175.10 176.06 2ai6 n TYR 91 N 4.64 -1.86 -4.36 5.22 4.11 -0.65 -2.21 117.16 122.04 2ai6 n TYR 91 Ca -0.17 -1.18 0.00 0.00 -0.00 0.00 0.00 57.90 56.55 2ai6 n TYR 91 Cb 0.50 0.59 0.00 0.00 -0.00 0.00 0.00 39.34 40.43 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 -0.34 -0.55 3.23 -7.48 0.00 -0.42 -0.74 105.19 98.88 2ai6 n GLY 92 Ca -0.06 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.11 0.04 1.61 1.13 -1.26 -4.62 117.35 114.14 2ai6 s TYR 93 Ca 0.00 0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.42 2ai6 s TYR 93 Cb 0.00 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.89 2ai6 s TYR 93 CO 0.00 -0.43 1.09 -1.54 -2.51 0.00 0.00 175.55 172.16 2ai6 s SER 94 N -1.69 7.23 0.48 -0.18 1.04 -0.59 -4.58 113.70 115.40 2ai6 s SER 94 Ca -0.09 1.86 0.20 0.00 0.48 0.00 0.00 55.95 58.39 2ai6 s SER 94 Cb -0.03 -2.58 1.19 0.00 0.10 0.00 0.00 66.02 64.70 2ai6 s SER 94 CO 0.00 -0.35 2.02 0.24 0.98 0.00 0.00 173.24 176.14 2ai6 h MET 95 N 6.65 0.00 0.11 4.02 0.00 -1.93 0.40 114.93 124.17 2ai6 h MET 95 Ca -0.42 0.00 -0.28 0.00 0.00 0.00 0.00 59.70 59.00 2ai6 h MET 95 Cb 1.22 0.00 0.02 0.00 0.00 0.00 0.00 31.60 32.84 2ai6 h MET 95 CO 0.78 0.17 -1.20 0.00 0.00 0.00 0.00 176.91 176.65 2ai6 h ALA 96 N 1.83 0.08 0.00 6.32 0.00 -2.00 -3.41 119.26 122.08 2ai6 h ALA 96 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2ai6 h ALA 96 Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ai6 h ALA 96 CO 0.02 0.77 0.00 0.66 0.00 0.00 0.00 179.25 180.71 2ai6 n TYR 97 N -3.72 0.00 -0.37 0.00 4.01 -1.19 -5.13 117.16 110.75 2ai6 n TYR 97 Ca -0.11 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2ai6 n TYR 97 Cb 0.97 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.04 -2.77 3.73 2.72 0.00 0.12 -4.39 105.19 104.57 2ai6 n GLY 98 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.87 4.43 0.86 1.61 0.04 -1.26 -1.72 135.00 138.09 2ai6 s PRO 99 Ca 0.00 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 62.88 2ai6 s PRO 99 Cb 0.00 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.42 2ai6 s PRO 99 CO 0.00 -0.20 1.12 0.00 0.04 0.00 0.00 177.00 177.96 2ai6 s ALA 100 N 0.20 2.03 -1.24 8.56 0.00 -1.02 -4.59 121.76 125.70 2ai6 s ALA 100 Ca 0.56 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2ai6 s ALA 100 Cb -0.34 -3.06 0.07 0.00 0.00 0.00 0.00 23.12 19.79 2ai6 s ALA 100 CO 0.36 -2.01 1.67 -0.65 0.00 0.00 0.00 175.76 175.13 2ai6 s GLN 101 N -5.25 3.91 0.49 0.00 -1.52 -1.26 -4.82 119.66 111.21 2ai6 s GLN 101 Ca 0.62 -1.83 0.31 0.00 -1.95 0.00 0.00 55.36 52.52 2ai6 s GLN 101 Cb -0.14 -5.49 1.70 0.00 -0.22 0.00 0.00 33.01 28.85 2ai6 s GLN 101 CO 0.53 -2.24 1.95 0.45 -0.25 0.00 0.00 175.29 175.74 2ai6 h HIS 102 N 8.03 0.00 -0.85 0.91 3.86 -1.94 0.26 115.15 125.43 2ai6 h HIS 102 Ca 0.39 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.70 2ai6 h HIS 102 Cb 0.90 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.31 2ai6 h HIS 102 CO 1.39 0.00 0.55 0.00 0.86 0.00 0.00 177.93 180.73 2ai6 h ALA 103 N 1.90 1.70 -0.13 2.45 0.00 -1.97 -0.58 119.26 122.63 2ai6 h ALA 103 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2ai6 h ALA 103 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ai6 h ALA 103 CO 0.00 0.12 0.06 0.82 0.00 0.00 0.00 179.25 180.25 2ai6 h ILE 104 N 0.81 1.14 -0.06 0.00 1.08 -1.35 -2.61 117.51 116.52 2ai6 h ILE 104 Ca 0.40 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 2ai6 h ILE 104 Cb 0.45 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2ai6 h ILE 104 CO -0.16 0.12 -0.02 0.28 -0.69 0.00 0.00 178.15 177.68 2ai6 h SER 105 N 0.07 -0.06 -0.59 1.72 0.02 -1.45 -1.66 113.55 111.59 2ai6 h SER 105 Ca 0.04 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2ai6 h SER 105 Cb 0.14 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2ai6 h SER 105 CO -0.00 -0.02 0.39 0.71 -1.14 0.00 0.00 176.83 176.76 2ai6 h THR 106 N -0.00 1.14 -0.15 -2.27 1.35 -1.10 0.13 112.91 112.00 2ai6 h THR 106 Ca 0.03 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 2ai6 h THR 106 Cb 0.05 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 2ai6 h THR 106 CO -0.06 0.14 0.07 -0.33 -0.25 0.00 0.00 175.52 175.09 2ai6 h GLU 107 N 0.79 0.22 -0.15 4.72 4.39 -1.31 -0.85 114.58 122.39 2ai6 h GLU 107 Ca 0.22 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2ai6 h GLU 107 Cb -0.07 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2ai6 h GLU 107 CO -0.06 0.27 0.03 0.87 -1.16 0.00 0.00 179.01 178.97 2ai6 h LYS 108 N 0.11 0.25 -0.39 2.33 1.57 -0.97 -1.80 116.57 117.67 2ai6 h LYS 108 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2ai6 h LYS 108 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2ai6 h LYS 108 CO -0.01 0.40 0.19 0.82 -0.57 0.00 0.00 179.45 180.29 2ai6 h ILE 109 N 0.05 1.17 -0.77 1.86 2.04 -0.72 0.61 117.51 121.75 2ai6 h ILE 109 Ca 0.05 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2ai6 h ILE 109 Cb 0.27 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2ai6 h ILE 109 CO 0.00 0.18 0.41 0.11 0.00 0.00 0.00 178.15 178.84 2ai6 h LYS 110 N 0.49 1.07 -0.12 2.37 1.57 -1.06 0.12 116.57 121.02 2ai6 h LYS 110 Ca 0.13 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2ai6 h LYS 110 Cb 0.11 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 2ai6 h LYS 110 CO -0.02 0.80 -0.04 0.00 -0.57 0.00 0.00 179.45 179.62 2ai6 h ALA 111 N 1.37 0.16 0.00 3.86 0.00 -0.86 -3.26 119.26 120.53 2ai6 h ALA 111 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ai6 h ALA 111 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ai6 h ALA 111 CO -0.04 -0.08 -0.03 0.87 0.00 0.00 0.00 179.25 179.97 2ai6 h LYS 112 N -0.10 0.00 -5.96 0.00 6.56 -0.66 -3.48 116.57 112.93 2ai6 h LYS 112 Ca 0.03 0.00 -0.41 0.00 -1.06 0.00 0.00 60.65 59.21 2ai6 h LYS 112 Cb 0.47 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.22 2ai6 h LYS 112 CO 0.01 0.00 -0.74 0.98 -2.06 0.00 0.00 179.45 177.65 2ai6 n TYR 113 N -2.30 -2.48 0.27 -1.35 9.36 0.40 -4.92 117.16 116.14 2ai6 n TYR 113 Ca 0.05 0.95 0.14 0.00 3.32 0.00 0.00 57.90 62.37 2ai6 n TYR 113 Cb 0.44 -4.70 0.86 0.00 -0.63 0.00 0.00 39.34 35.30 2ai6 n TYR 113 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2ai6 h PRO 114 N -2.29 0.00 -4.20 2.98 0.11 -1.92 -3.44 132.00 123.24 2ai6 h PRO 114 Ca -0.58 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.37 2ai6 h PRO 114 Cb 1.36 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.34 2ai6 h PRO 114 CO 0.58 0.00 -0.49 0.34 -0.21 0.00 0.00 178.00 178.22 2ai6 s ASP 115 N -6.24 0.16 0.31 -2.05 2.15 -1.26 -5.07 116.67 104.67 2ai6 s ASP 115 Ca -0.05 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 51.86 2ai6 s ASP 115 Cb 0.15 0.38 0.58 0.00 -0.30 0.00 0.00 42.92 43.74 2ai6 s ASP 115 CO 0.57 -0.84 1.90 1.88 -0.17 0.00 0.00 175.17 178.52 2ai6 h TYR 116 N 2.67 1.00 -2.40 -5.34 -1.99 -1.96 -3.46 116.97 105.48 2ai6 h TYR 116 Ca -0.33 0.03 0.17 0.00 2.00 0.00 0.00 58.73 60.59 2ai6 h TYR 116 Cb 1.22 -0.33 -0.06 0.00 2.00 0.00 0.00 36.73 39.56 2ai6 h TYR 116 CO 0.41 0.50 0.54 -2.00 -0.00 0.00 0.00 178.16 177.60 2ai6 s GLU 117 N -5.86 1.25 0.17 4.88 2.12 -1.26 -5.01 118.70 114.98 2ai6 s GLU 117 Ca -0.11 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.33 2ai6 s GLU 117 Cb 0.20 0.39 0.02 0.00 0.26 0.00 0.00 34.13 35.00 2ai6 s GLU 117 CO 0.80 -0.58 0.41 0.54 -0.54 0.00 0.00 175.26 175.89 2ai6 s VAL 118 N -2.73 0.05 0.15 3.70 0.11 -1.26 -4.14 120.40 116.29 2ai6 s VAL 118 Ca 0.17 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.28 2ai6 s VAL 118 Cb -0.02 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2ai6 s VAL 118 CO 0.04 -0.24 0.08 0.42 -3.33 0.00 0.00 175.10 172.07 2ai6 s THR 119 N -3.88 0.07 0.21 5.04 -4.23 -1.09 -5.01 115.64 106.74 2ai6 s THR 119 Ca 0.10 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 2ai6 s THR 119 Cb 0.01 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 2ai6 s THR 119 CO -0.05 -0.32 0.34 -1.66 -0.54 0.00 0.00 174.62 172.40 2ai6 s TRP 120 N -4.08 0.56 -0.04 3.99 1.48 -1.26 -1.19 118.94 118.40 2ai6 s TRP 120 Ca 0.29 -0.89 -0.06 0.00 -1.06 0.00 0.00 56.10 54.38 2ai6 s TRP 120 Cb 0.07 -0.06 0.01 0.00 -1.16 0.00 0.00 33.47 32.33 2ai6 s TRP 120 CO 0.05 -0.83 0.14 0.00 -4.06 0.00 0.00 176.95 172.25 2ai6 s ALA 121 N -4.04 -0.35 -0.72 2.67 0.00 -0.94 -4.94 121.76 113.44 2ai6 s ALA 121 Ca 0.25 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2ai6 s ALA 121 Cb 0.02 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2ai6 s ALA 121 CO 0.07 -0.12 0.70 0.27 0.00 0.00 0.00 175.76 176.68 2ai6 n ASN 122 N 2.43 1.75 -3.97 0.00 6.94 -1.26 -4.32 115.26 116.83 2ai6 n ASN 122 Ca -0.16 -2.08 -0.09 0.00 -0.02 0.00 0.00 54.58 52.23 2ai6 n ASN 122 Cb 0.58 -0.52 -0.08 0.00 -2.36 0.00 0.00 39.78 37.41 2ai6 n ASN 122 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 2ai6 s ASP 123 N 0.17 0.10 0.00 0.53 -4.77 -1.26 -4.92 116.67 106.52 2ai6 s ASP 123 Ca 0.04 -0.88 0.00 0.00 -3.30 0.00 0.00 52.55 48.41 2ai6 s ASP 123 Cb 0.03 0.39 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 2ai6 s ASP 123 CO 0.01 -0.83 0.00 0.61 0.70 0.00 0.00 175.17 175.66 2ai6 n GLY 124 N -0.16 2.16 0.00 2.12 0.00 -1.26 -1.31 105.19 106.74 2ai6 n GLY 124 Ca -0.09 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2ai6 n GLY 124 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60