#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yi2 h HIS 11 N 0.00 0.08 -0.97 2.97 2.07 -2.04 -3.36 115.15 113.90 1yi2 h HIS 11 Ca 0.00 -0.05 0.30 0.00 -2.85 0.00 0.00 60.37 57.76 1yi2 h HIS 11 Cb 0.00 -0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.83 1yi2 h HIS 11 CO 0.00 1.02 0.46 1.49 -3.07 0.00 0.00 177.93 177.83 1yi2 h GLU 12 N -0.89 0.28 -1.08 5.12 4.81 -2.05 0.44 114.58 121.20 1yi2 h GLU 12 Ca -0.02 -0.02 -0.51 0.00 -0.13 0.00 0.00 59.36 58.68 1yi2 h GLU 12 Cb 1.06 -0.06 -0.25 0.00 0.63 0.00 0.00 28.75 30.13 1yi2 h GLU 12 CO 0.02 0.18 0.66 -1.33 -0.73 0.00 0.00 179.01 177.81 1yi2 n MET 13 N -5.11 2.26 0.00 1.92 2.81 -1.26 -3.94 117.12 113.80 1yi2 n MET 13 Ca 0.28 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.49 1yi2 n MET 13 Cb 0.89 -2.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1yi2 n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1yi2 n ARG 14 N -0.71 3.80 -2.19 0.03 5.12 0.14 -4.62 116.66 118.22 1yi2 n ARG 14 Ca 0.52 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 56.02 1yi2 n ARG 14 Cb 1.04 -0.32 -0.03 0.00 -1.16 0.00 0.00 32.46 31.99 1yi2 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1yi2 s GLU 15 N 0.00 4.26 1.03 5.56 -1.05 -0.44 -4.80 118.70 123.26 1yi2 s GLU 15 Ca 0.00 1.99 -0.21 0.00 -0.15 0.00 0.00 54.97 56.60 1yi2 s GLU 15 Cb 0.00 -3.63 -0.07 0.00 -0.44 0.00 0.00 34.13 29.99 1yi2 s GLU 15 CO 0.00 -0.62 -0.71 -2.30 0.95 0.00 0.00 175.26 172.58 1yi2 n PRO 16 N 5.65 -0.49 -3.51 -4.83 -0.02 -1.26 -4.54 135.00 126.00 1yi2 n PRO 16 Ca 0.14 -0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1yi2 n PRO 16 Cb 0.43 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 1yi2 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1yi2 s ARG 17 N -2.63 0.87 -0.34 -0.52 1.70 -0.86 -4.96 118.95 112.21 1yi2 s ARG 17 Ca 0.45 -0.18 -0.22 0.00 -0.47 0.00 0.00 55.73 55.31 1yi2 s ARG 17 Cb -0.06 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1yi2 s ARG 17 CO 0.70 -0.35 0.70 0.42 -1.08 0.00 0.00 175.30 175.68 1yi2 s ILE 18 N -2.64 4.84 -0.01 4.99 1.01 -1.26 -2.30 121.20 125.83 1yi2 s ILE 18 Ca 0.01 0.81 -0.07 0.00 0.00 0.00 0.00 60.65 61.40 1yi2 s ILE 18 Cb -0.01 -4.11 -0.30 0.00 0.01 0.00 0.00 42.46 38.06 1yi2 s ILE 18 CO -0.06 -0.30 0.82 -0.08 0.00 0.00 0.00 174.94 175.32 1yi2 h GLU 19 N 8.36 0.33 -1.72 2.79 4.81 -1.21 -3.42 114.58 124.53 1yi2 h GLU 19 Ca -0.26 -0.57 0.03 0.00 -0.13 0.00 0.00 59.36 58.44 1yi2 h GLU 19 Cb 1.11 0.21 -0.23 0.00 0.63 0.00 0.00 28.75 30.47 1yi2 h GLU 19 CO 0.86 1.22 0.39 -1.59 -0.73 0.00 0.00 179.01 179.16 1yi2 s LYS 20 N -2.60 0.69 -0.29 1.92 -2.85 -1.20 -4.61 119.74 110.79 1yi2 s LYS 20 Ca -0.11 0.41 0.02 0.00 -1.00 0.00 0.00 55.97 55.29 1yi2 s LYS 20 Cb 0.06 0.33 0.07 0.00 -2.06 0.00 0.00 37.83 36.23 1yi2 s LYS 20 CO 0.86 -0.17 -0.04 0.08 0.10 0.00 0.00 175.35 176.18 1yi2 s VAL 21 N -0.54 2.34 -0.37 1.79 1.01 -0.03 -0.70 120.40 123.89 1yi2 s VAL 21 Ca -0.02 -1.81 -0.16 0.00 0.00 0.00 0.00 61.98 59.99 1yi2 s VAL 21 Cb -0.02 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1yi2 s VAL 21 CO 0.01 -0.21 0.40 -0.69 0.00 0.00 0.00 175.10 174.61 1yi2 s VAL 22 N 1.07 5.13 -0.25 2.92 1.01 -0.42 -0.86 120.40 129.00 1yi2 s VAL 22 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1yi2 s VAL 22 Cb -0.20 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1yi2 s VAL 22 CO -0.05 -0.21 0.05 0.68 0.00 0.00 0.00 175.10 175.57 1yi2 s VAL 23 N 2.09 4.10 0.03 2.92 -7.23 -0.18 -0.93 120.40 121.21 1yi2 s VAL 23 Ca 0.13 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 1yi2 s VAL 23 Cb -0.17 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1yi2 s VAL 23 CO 0.12 0.34 -0.04 -2.28 -0.31 0.00 0.00 175.10 172.93 1yi2 s HIS 24 N 1.58 0.38 -0.29 2.82 5.04 -0.67 -0.69 115.29 123.45 1yi2 s HIS 24 Ca 0.06 -0.66 0.03 0.00 -1.54 0.00 0.00 55.06 52.94 1yi2 s HIS 24 Cb -0.15 -0.27 0.08 0.00 0.04 0.00 0.00 32.58 32.28 1yi2 s HIS 24 CO 0.02 -0.22 -0.01 -1.64 -2.34 0.00 0.00 174.74 170.55 1yi2 s MET 25 N -2.11 1.66 -1.00 2.88 -1.94 -0.58 -1.13 119.30 117.08 1yi2 s MET 25 Ca -0.09 -1.48 -0.21 0.00 -1.71 0.00 0.00 55.69 52.19 1yi2 s MET 25 Cb -0.05 -2.89 0.08 0.00 2.01 0.00 0.00 34.83 33.98 1yi2 s MET 25 CO -0.03 -0.77 1.35 0.20 -0.01 0.00 0.00 175.02 175.76 1yi2 s GLY 26 N 1.12 1.54 0.00 -0.03 0.00 -1.26 -2.90 107.32 105.79 1yi2 s GLY 26 Ca 0.02 -2.50 0.00 0.00 0.00 0.00 0.00 44.72 42.24 1yi2 s GLY 26 CO -0.08 2.43 0.01 1.39 0.00 0.00 0.00 173.10 176.85 1yi2 n ILE 27 N 6.32 0.00 0.00 0.90 5.41 -0.51 -4.99 119.36 126.49 1yi2 n ILE 27 Ca 0.31 0.04 0.00 0.00 1.00 0.00 0.00 62.75 64.09 1yi2 n ILE 27 Cb 0.50 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1yi2 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yi2 n GLY 28 N 2.70 -0.40 0.00 7.39 0.00 0.19 -4.98 105.19 110.08 1yi2 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yi2 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1yi2 n HIS 29 N 0.00 0.00 0.00 1.61 -0.00 -1.24 -4.90 115.22 110.68 1yi2 n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1yi2 n HIS 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1yi2 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yi2 n ALA 35 N 0.00 0.00 0.00 1.59 0.00 -1.26 -4.78 120.51 116.06 1yi2 n ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yi2 n ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1yi2 n ALA 35 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1yi2 n ASN 36 N 0.00 0.00 0.11 0.00 6.94 -1.26 -1.30 115.26 119.76 1yi2 n ASN 36 Ca 0.00 0.38 -0.03 0.00 -0.02 0.00 0.00 54.58 54.90 1yi2 n ASN 36 Cb 0.00 -0.38 0.08 0.00 -2.36 0.00 0.00 39.78 37.12 1yi2 n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yi2 h ALA 37 N 1.78 0.78 -1.26 -2.53 0.00 -2.02 -3.26 119.26 112.74 1yi2 h ALA 37 Ca 0.00 -0.66 0.37 0.00 0.00 0.00 0.00 54.91 54.61 1yi2 h ALA 37 Cb 0.09 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1yi2 h ALA 37 CO 0.00 0.90 0.86 0.93 0.00 0.00 0.00 179.25 181.95 1yi2 h GLU 38 N 0.02 0.13 0.74 0.00 5.08 -1.62 -2.13 114.58 116.80 1yi2 h GLU 38 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1yi2 h GLU 38 Cb 1.30 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1yi2 h GLU 38 CO 0.10 0.09 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.40 1yi2 h ASP 39 N 0.14 -0.84 0.02 1.42 3.32 -1.79 -2.19 116.42 116.49 1yi2 h ASP 39 Ca 0.68 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.75 1yi2 h ASP 39 Cb 2.28 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 42.05 1yi2 h ASP 39 CO -0.19 -0.60 -0.02 0.16 -1.72 0.00 0.00 179.24 176.87 1yi2 h ILE 40 N -0.99 0.96 -0.19 0.35 3.07 -1.62 -1.60 117.51 117.49 1yi2 h ILE 40 Ca -0.10 -0.06 -0.19 0.00 1.55 0.00 0.00 64.86 66.05 1yi2 h ILE 40 Cb 0.76 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 1yi2 h ILE 40 CO 0.16 0.02 -0.65 -0.07 -1.05 0.00 0.00 178.15 176.57 1yi2 h LEU 41 N 0.00 0.81 -0.53 0.16 3.38 -1.45 -1.31 115.31 116.37 1yi2 h LEU 41 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1yi2 h LEU 41 Cb 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1yi2 h LEU 41 CO 0.00 1.25 0.23 1.23 0.09 0.00 0.00 178.44 181.24 1yi2 h GLY 42 N 0.83 0.85 1.87 0.83 0.00 -0.65 -0.70 103.07 106.10 1yi2 h GLY 42 Ca -0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 1yi2 h GLY 42 CO 0.13 0.42 -0.74 0.83 0.00 0.00 0.00 176.54 177.18 1yi2 h GLU 43 N 0.72 0.12 0.00 4.80 5.08 -1.42 -0.38 114.58 123.50 1yi2 h GLU 43 Ca 0.18 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1yi2 h GLU 43 Cb 0.17 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1yi2 h GLU 43 CO -0.02 0.80 -0.87 0.97 -1.00 0.00 0.00 179.01 178.89 1yi2 h ILE 44 N 0.08 1.62 0.00 3.13 2.10 -1.06 -3.39 117.51 120.00 1yi2 h ILE 44 Ca -0.02 -2.98 -0.29 0.00 1.08 0.00 0.00 64.86 62.65 1yi2 h ILE 44 Cb 1.30 2.61 -0.04 0.00 -1.09 0.00 0.00 36.82 39.60 1yi2 h ILE 44 CO 0.11 0.85 -1.83 0.35 -1.08 0.00 0.00 178.15 176.55 1yi2 n THR 45 N -3.51 1.52 0.00 2.19 -2.24 -0.28 -4.94 114.28 107.01 1yi2 n THR 45 Ca -0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1yi2 n THR 45 Cb 0.83 -2.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1yi2 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yi2 n GLY 46 N 1.36 0.97 3.37 3.38 0.00 -0.15 -4.91 105.19 109.20 1yi2 n GLY 46 Ca -0.38 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1yi2 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yi2 s GLN 47 N 0.00 1.37 0.67 1.61 -2.07 -1.23 -5.04 119.66 114.96 1yi2 s GLN 47 Ca 0.00 -1.47 -0.17 0.00 -1.82 0.00 0.00 55.36 51.90 1yi2 s GLN 47 Cb 0.00 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 1yi2 s GLN 47 CO 0.00 -0.51 1.24 -1.64 -1.32 0.00 0.00 175.29 173.06 1yi2 s MET 48 N -4.07 2.50 0.70 9.60 -1.94 -1.26 -4.31 119.30 120.52 1yi2 s MET 48 Ca 0.32 1.89 -0.00 0.00 -1.71 0.00 0.00 55.69 56.19 1yi2 s MET 48 Cb 0.04 -1.86 0.12 0.00 2.01 0.00 0.00 34.83 35.13 1yi2 s MET 48 CO 0.11 -1.59 0.97 -1.25 -0.01 0.00 0.00 175.02 173.24 1yi2 s PRO 49 N -3.57 1.79 -0.08 2.03 0.04 -1.26 -4.80 135.00 129.15 1yi2 s PRO 49 Ca 0.78 -1.09 -0.01 0.00 0.04 0.00 0.00 61.00 60.73 1yi2 s PRO 49 Cb -0.33 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 31.89 1yi2 s PRO 49 CO 0.40 -1.36 -0.03 0.08 0.04 0.00 0.00 177.00 176.14 1yi2 s VAL 50 N -3.09 0.56 0.69 -0.36 1.01 -0.32 -4.91 120.40 113.97 1yi2 s VAL 50 Ca 0.65 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.44 1yi2 s VAL 50 Cb -0.06 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.65 1yi2 s VAL 50 CO 0.44 0.28 0.92 0.54 0.00 0.00 0.00 175.10 177.27 1yi2 n ARG 51 N 4.87 0.60 -3.89 2.72 5.12 -1.26 -2.08 116.66 122.74 1yi2 n ARG 51 Ca -0.12 0.25 -0.30 0.00 -1.93 0.00 0.00 57.85 55.76 1yi2 n ARG 51 Cb 0.50 -2.16 -0.16 0.00 -1.16 0.00 0.00 32.46 29.48 1yi2 n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1yi2 s THR 52 N -1.73 1.34 0.52 0.55 2.01 0.14 -4.83 115.64 113.63 1yi2 s THR 52 Ca 0.74 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1yi2 s THR 52 Cb -0.37 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1yi2 s THR 52 CO 0.50 -0.17 0.84 -0.54 -0.69 0.00 0.00 174.62 174.55 1yi2 s LYS 53 N 1.47 3.42 0.37 4.92 1.02 -1.26 -0.93 119.74 128.76 1yi2 s LYS 53 Ca -0.04 0.22 0.09 0.00 0.02 0.00 0.00 55.97 56.26 1yi2 s LYS 53 Cb -0.18 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.74 1yi2 s LYS 53 CO -0.08 -0.34 -0.01 0.00 -0.92 0.00 0.00 175.35 174.00 1yi2 s ALA 54 N -2.84 3.15 0.17 5.17 0.00 -1.10 -4.93 121.76 121.38 1yi2 s ALA 54 Ca 0.49 -2.11 0.11 0.00 0.00 0.00 0.00 51.96 50.46 1yi2 s ALA 54 Cb -0.10 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1yi2 s ALA 54 CO 0.46 0.00 -0.23 0.15 0.00 0.00 0.00 175.76 176.15 1yi2 s LYS 55 N -3.70 1.57 0.44 0.00 1.02 -1.26 -4.06 119.74 113.75 1yi2 s LYS 55 Ca 0.35 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.92 1yi2 s LYS 55 Cb 0.04 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1yi2 s LYS 55 CO 0.18 0.42 0.00 0.54 -0.92 0.00 0.00 175.35 175.58 1yi2 n ARG 56 N 0.46 -3.84 -2.80 1.68 1.74 -1.26 -4.93 116.66 107.71 1yi2 n ARG 56 Ca -0.14 2.86 -0.37 0.00 -0.77 0.00 0.00 57.85 59.43 1yi2 n ARG 56 Cb 0.55 -3.22 -0.06 0.00 -1.02 0.00 0.00 32.46 28.71 1yi2 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1yi2 s THR 57 N -3.17 4.22 0.07 0.55 2.01 -1.26 -4.85 115.64 113.21 1yi2 s THR 57 Ca 0.00 1.83 0.06 0.00 0.31 0.00 0.00 61.69 63.89 1yi2 s THR 57 Cb 0.00 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1yi2 s THR 57 CO 0.00 0.22 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.28 1yi2 s VAL 58 N -1.53 1.37 0.49 3.82 1.01 -0.01 -4.94 120.40 120.62 1yi2 s VAL 58 Ca 0.48 -1.33 0.20 0.00 0.00 0.00 0.00 61.98 61.32 1yi2 s VAL 58 Cb -0.20 -1.26 0.26 0.00 0.00 0.00 0.00 36.38 35.17 1yi2 s VAL 58 CO 0.25 -0.10 2.10 1.23 0.00 0.00 0.00 175.10 178.58 1yi2 h GLY 59 N 4.36 0.00 -5.00 4.51 0.00 -1.98 -2.70 103.07 102.26 1yi2 h GLY 59 Ca -0.42 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.69 1yi2 h GLY 59 CO 0.41 0.00 1.27 -1.84 0.00 0.00 0.00 176.54 176.38 1yi2 n GLU 60 N -4.18 1.45 -2.94 4.80 0.28 -1.26 -4.49 120.64 114.31 1yi2 n GLU 60 Ca -0.03 -0.94 -0.13 0.00 -0.16 0.00 0.00 57.16 55.90 1yi2 n GLU 60 Cb 0.17 -2.08 -0.02 0.00 1.43 0.00 0.00 31.44 30.94 1yi2 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1yi2 n PHE 61 N 3.53 -1.51 -2.70 -1.84 -0.00 -1.23 -4.76 117.46 108.96 1yi2 n PHE 61 Ca 0.31 0.21 -0.30 0.00 -0.00 0.00 0.00 57.45 57.67 1yi2 n PHE 61 Cb 0.29 -1.15 -0.01 0.00 -0.00 0.00 0.00 39.48 38.61 1yi2 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1yi2 n ASP 62 N -1.58 5.16 0.06 -2.13 2.03 -1.02 -4.77 116.55 114.30 1yi2 n ASP 62 Ca 0.04 -3.71 -0.13 0.00 0.52 0.00 0.00 54.79 51.51 1yi2 n ASP 62 Cb 0.43 -0.65 -0.14 0.00 -0.72 0.00 0.00 41.12 40.04 1yi2 n ASP 62 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1yi2 h ILE 63 N 2.69 1.37 -2.39 5.18 3.07 -1.86 0.02 117.51 125.59 1yi2 h ILE 63 Ca 0.26 -3.03 -0.54 0.00 1.55 0.00 0.00 64.86 63.11 1yi2 h ILE 63 Cb 0.56 2.80 0.01 0.00 -0.27 0.00 0.00 36.82 39.92 1yi2 h ILE 63 CO 0.92 0.85 1.23 -0.60 -1.05 0.00 0.00 178.15 179.50 1yi2 s ARG 64 N -2.65 4.06 0.00 0.16 3.52 -1.26 -4.41 118.95 118.37 1yi2 s ARG 64 Ca -0.05 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1yi2 s ARG 64 Cb 0.08 -4.15 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 1yi2 s ARG 64 CO 0.85 -1.04 0.41 -1.91 -0.81 0.00 0.00 175.30 172.80 1yi2 n GLU 65 N 7.57 0.00 -2.72 5.12 2.13 -1.26 -4.49 120.64 126.98 1yi2 n GLU 65 Ca 0.20 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.59 1yi2 n GLU 65 Cb 0.42 -0.91 -0.03 0.00 0.27 0.00 0.00 31.44 31.19 1yi2 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1yi2 s GLY 66 N -0.16 1.37 -0.30 8.31 0.00 -1.26 -2.72 107.32 112.57 1yi2 s GLY 66 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 1yi2 s GLY 66 CO 0.00 2.21 1.24 0.51 0.00 0.00 0.00 173.10 177.06 1yi2 s ASP 67 N 2.44 -0.17 0.19 1.64 -4.77 -1.26 -4.98 116.67 109.76 1yi2 s ASP 67 Ca 0.41 0.28 -0.26 0.00 -3.30 0.00 0.00 52.55 49.68 1yi2 s ASP 67 Cb -0.09 0.80 -0.16 0.00 -1.09 0.00 0.00 42.92 42.38 1yi2 s ASP 67 CO 0.28 -0.05 0.49 -2.65 0.70 0.00 0.00 175.17 173.94 1yi2 n PRO 68 N 2.73 0.00 0.00 2.11 -0.02 -1.26 -4.08 135.00 134.48 1yi2 n PRO 68 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 1yi2 n PRO 68 Cb 0.57 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 1yi2 n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1yi2 n ILE 69 N 0.00 0.00 -3.36 4.25 5.41 -0.10 -4.06 119.36 121.50 1yi2 n ILE 69 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 1yi2 n ILE 69 Cb 0.23 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.17 1yi2 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yi2 n GLY 70 N -0.04 1.48 3.33 7.39 0.00 -1.17 0.55 105.19 116.74 1yi2 n GLY 70 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 1yi2 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yi2 s ALA 71 N -1.34 -0.37 0.19 4.61 0.00 -1.14 0.27 121.76 123.98 1yi2 s ALA 71 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1yi2 s ALA 71 Cb -0.01 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1yi2 s ALA 71 CO 0.03 -0.64 0.40 -1.59 0.00 0.00 0.00 175.76 173.96 1yi2 s LYS 72 N -3.90 1.31 -0.14 0.00 -2.85 -0.88 -1.53 119.74 111.75 1yi2 s LYS 72 Ca 0.10 -1.09 -0.05 0.00 -1.00 0.00 0.00 55.97 53.93 1yi2 s LYS 72 Cb 0.03 0.44 0.07 0.00 -2.06 0.00 0.00 37.83 36.30 1yi2 s LYS 72 CO -0.05 -0.52 0.29 0.08 0.10 0.00 0.00 175.35 175.24 1yi2 s VAL 73 N -3.95 -0.38 -0.42 1.79 1.01 0.13 -1.18 120.40 117.41 1yi2 s VAL 73 Ca 0.16 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1yi2 s VAL 73 Cb 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1yi2 s VAL 73 CO 0.01 0.10 0.35 0.42 0.00 0.00 0.00 175.10 175.98 1yi2 s THR 74 N 2.26 5.21 -0.04 3.92 -4.23 -1.26 -1.01 115.64 120.48 1yi2 s THR 74 Ca -0.01 -0.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.79 1yi2 s THR 74 Cb -0.12 -3.98 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 1yi2 s THR 74 CO -0.09 -0.37 0.29 -0.76 -0.54 0.00 0.00 174.62 173.15 1yi2 s LEU 75 N 1.81 4.43 0.02 4.79 1.43 -0.04 -4.90 118.68 126.22 1yi2 s LEU 75 Ca 0.07 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1yi2 s LEU 75 Cb -0.19 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.59 1yi2 s LEU 75 CO 0.11 0.34 -0.05 -0.13 0.23 0.00 0.00 176.35 176.85 1yi2 s ARG 76 N -1.18 0.39 6.45 1.70 0.52 -1.26 -0.85 118.95 124.72 1yi2 s ARG 76 Ca 0.21 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1yi2 s ARG 76 Cb -0.14 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.10 1yi2 s ARG 76 CO 0.10 0.05 0.00 -0.25 0.02 0.00 0.00 175.30 175.22 1yi2 n ASP 77 N 2.19 0.00 -0.14 0.23 8.00 -1.26 -3.22 116.55 122.35 1yi2 n ASP 77 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1yi2 n ASP 77 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1yi2 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1yi2 h GLU 78 N 0.00 0.56 -1.18 -1.24 5.08 -1.98 -1.91 114.58 113.91 1yi2 h GLU 78 Ca 0.00 -0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.66 1yi2 h GLU 78 Cb 0.00 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 1yi2 h GLU 78 CO 0.00 0.39 0.84 0.52 -1.00 0.00 0.00 179.01 179.76 1yi2 h MET 79 N 0.56 0.04 0.10 2.33 2.86 -1.94 0.42 114.93 119.30 1yi2 h MET 79 Ca 0.15 -0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.56 1yi2 h MET 79 Cb -0.03 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1yi2 h MET 79 CO -0.03 0.03 -1.14 0.00 1.06 0.00 0.00 176.91 176.83 1yi2 h ALA 80 N 1.43 0.10 0.59 6.32 0.00 -1.47 -3.25 119.26 122.98 1yi2 h ALA 80 Ca 0.58 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1yi2 h ALA 80 Cb 2.20 0.37 0.01 0.00 0.00 0.00 0.00 17.79 20.37 1yi2 h ALA 80 CO -0.05 0.64 -0.28 0.93 0.00 0.00 0.00 179.25 180.49 1yi2 h GLU 81 N -0.44 -0.76 0.00 0.00 5.08 -0.54 -0.78 114.58 117.14 1yi2 h GLU 81 Ca -0.24 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1yi2 h GLU 81 Cb 1.63 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1yi2 h GLU 81 CO 0.05 -0.45 0.25 0.39 -1.00 0.00 0.00 179.01 178.25 1yi2 n GLU 82 N -5.36 0.04 -0.08 2.33 1.02 0.13 0.16 120.64 118.89 1yi2 n GLU 82 Ca -0.12 0.43 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 1yi2 n GLU 82 Cb 0.34 -1.89 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 1yi2 n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1yi2 n PHE 83 N -1.67 0.51 0.18 -0.32 7.35 -0.89 -4.32 117.46 118.29 1yi2 n PHE 83 Ca -0.00 0.13 0.03 0.00 -0.76 0.00 0.00 57.45 56.84 1yi2 n PHE 83 Cb 0.26 -1.06 0.32 0.00 0.35 0.00 0.00 39.48 39.34 1yi2 n PHE 83 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1yi2 h LEU 84 N -0.18 0.00 0.00 -2.13 3.38 0.12 0.67 115.31 117.17 1yi2 h LEU 84 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1yi2 h LEU 84 Cb 1.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1yi2 h LEU 84 CO -0.08 0.43 0.02 0.00 0.09 0.00 0.00 178.44 178.90 1yi2 n GLN 85 N -3.76 0.00 0.00 1.13 6.02 0.80 -1.56 117.38 120.01 1yi2 n GLN 85 Ca -0.01 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1yi2 n GLN 85 Cb 0.50 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.24 1yi2 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1yi2 n THR 86 N -1.39 0.00 0.17 5.09 -2.24 -1.08 -4.76 114.28 110.07 1yi2 n THR 86 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1yi2 n THR 86 Cb 0.02 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 1yi2 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yi2 h ALA 87 N 0.00 -0.59 -0.68 6.98 0.00 -0.02 -3.29 119.26 121.66 1yi2 h ALA 87 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1yi2 h ALA 87 Cb 0.12 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 1yi2 h ALA 87 CO 0.00 -0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 178.40 1yi2 h LEU 88 N -0.88 -0.82 -1.61 0.00 3.38 -1.54 0.15 115.31 114.00 1yi2 h LEU 88 Ca -0.05 0.22 0.22 0.00 0.09 0.00 0.00 57.88 58.36 1yi2 h LEU 88 Cb 0.36 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1yi2 h LEU 88 CO 0.08 -0.26 0.81 -0.65 0.09 0.00 0.00 178.44 178.51 1yi2 h PRO 89 N -0.05 0.00 -0.67 1.13 0.11 -1.74 0.61 132.00 131.40 1yi2 h PRO 89 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1yi2 h PRO 89 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1yi2 h PRO 89 CO -0.72 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.35 1yi2 n LEU 90 N -3.55 3.54 -4.15 2.35 4.77 0.54 -4.91 117.00 115.60 1yi2 n LEU 90 Ca 0.16 -1.79 -0.10 0.00 -0.03 0.00 0.00 56.01 54.24 1yi2 n LEU 90 Cb 1.06 -0.53 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1yi2 n LEU 90 CO 0.27 0.52 -0.38 0.00 -1.33 0.00 0.00 177.39 176.47 1yi2 s ALA 91 N -1.90 0.86 -0.69 -1.18 0.00 0.21 -5.00 121.76 114.06 1yi2 s ALA 91 Ca 0.33 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1yi2 s ALA 91 Cb 0.23 0.17 0.28 0.00 0.00 0.00 0.00 23.12 23.80 1yi2 s ALA 91 CO 0.13 -0.24 0.91 0.39 0.00 0.00 0.00 175.76 176.95 1yi2 n GLU 92 N 0.13 3.02 -1.46 0.00 1.02 -1.26 -5.01 120.64 117.07 1yi2 n GLU 92 Ca -0.13 -4.71 -0.51 0.00 -0.02 0.00 0.00 57.16 51.78 1yi2 n GLU 92 Cb 0.60 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.69 1yi2 n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yi2 n LEU 93 N 0.60 -0.34 -4.58 -4.62 4.77 -1.26 -4.98 117.00 106.59 1yi2 n LEU 93 Ca 0.30 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 57.16 1yi2 n LEU 93 Cb 0.39 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1yi2 n LEU 93 CO 0.43 -2.35 -0.23 0.00 -1.33 0.00 0.00 177.39 173.91 1yi2 s ALA 94 N -0.58 3.16 -0.00 -1.18 0.00 -1.24 -4.28 121.76 117.63 1yi2 s ALA 94 Ca 0.73 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1yi2 s ALA 94 Cb -1.01 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 1yi2 s ALA 94 CO 0.56 -0.23 0.64 1.15 0.00 0.00 0.00 175.76 177.88 1yi2 h THR 95 N 1.73 0.00 -0.86 0.00 2.02 -1.89 -3.25 112.91 110.65 1yi2 h THR 95 Ca -0.39 -0.02 0.25 0.00 0.77 0.00 0.00 66.41 67.01 1yi2 h THR 95 Cb 1.28 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1yi2 h THR 95 CO 0.65 0.00 0.87 0.77 0.37 0.00 0.00 175.52 178.19 1yi2 h SER 96 N -0.08 0.00 0.00 4.18 4.64 -1.99 0.03 113.55 120.33 1yi2 h SER 96 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1yi2 h SER 96 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1yi2 h SER 96 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1yi2 n GLN 97 N -3.59 0.33 -3.95 4.77 6.02 -1.23 -4.77 117.38 114.96 1yi2 n GLN 97 Ca 0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.87 1yi2 n GLN 97 Cb 1.16 -1.40 -0.04 0.00 1.02 0.00 0.00 30.24 30.97 1yi2 n GLN 97 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1yi2 s PHE 98 N -2.00 3.45 1.09 1.08 0.40 -0.01 -3.69 117.98 118.31 1yi2 s PHE 98 Ca 0.13 0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.49 1yi2 s PHE 98 Cb 0.06 -1.73 0.24 0.00 0.51 0.00 0.00 43.02 42.11 1yi2 s PHE 98 CO 0.10 0.57 1.18 0.34 0.70 0.00 0.00 175.22 178.11 1yi2 s ASP 99 N -2.54 1.90 0.05 1.36 2.15 0.86 -4.93 116.67 115.53 1yi2 s ASP 99 Ca 0.34 0.56 0.23 0.00 0.43 0.00 0.00 52.55 54.11 1yi2 s ASP 99 Cb -0.13 -0.79 0.09 0.00 -0.30 0.00 0.00 42.92 41.80 1yi2 s ASP 99 CO 0.27 -3.51 1.07 0.47 -0.17 0.00 0.00 175.17 173.30 1yi2 n ASP 100 N -4.34 0.62 -1.29 -0.34 9.92 -1.26 -3.72 116.55 116.15 1yi2 n ASP 100 Ca 0.13 -0.21 0.10 0.00 -0.53 0.00 0.00 54.79 54.28 1yi2 n ASP 100 Cb 0.59 0.72 0.30 0.00 -0.64 0.00 0.00 41.12 42.09 1yi2 n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1yi2 n THR 101 N -1.94 1.29 -1.75 -3.53 -1.04 -1.26 -4.37 114.28 101.68 1yi2 n THR 101 Ca 0.02 -1.09 0.00 0.00 -2.04 0.00 0.00 64.05 60.94 1yi2 n THR 101 Cb 0.43 0.37 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 1yi2 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yi2 n GLY 102 N 1.24 0.41 3.77 3.41 0.00 -1.24 -4.28 105.19 108.49 1yi2 n GLY 102 Ca 0.23 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1yi2 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yi2 s ASN 103 N -2.97 4.47 -0.07 1.61 0.02 -1.26 -4.28 114.94 112.46 1yi2 s ASN 103 Ca 0.00 -1.11 -0.29 0.00 -1.02 0.00 0.00 52.86 50.43 1yi2 s ASN 103 Cb 0.00 -0.32 0.10 0.00 0.02 0.00 0.00 41.25 41.05 1yi2 s ASN 103 CO 0.00 -0.63 0.87 0.72 0.02 0.00 0.00 177.10 178.07 1yi2 s PHE 104 N -2.63 -0.44 -0.02 2.20 -0.12 -1.17 0.30 117.98 116.10 1yi2 s PHE 104 Ca 0.39 0.60 0.01 0.00 -0.05 0.00 0.00 56.93 57.88 1yi2 s PHE 104 Cb 0.03 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1yi2 s PHE 104 CO 0.22 -0.50 -0.04 0.45 -0.05 0.00 0.00 175.22 175.30 1yi2 s SER 105 N -1.64 0.63 0.16 1.98 0.15 -1.24 -1.41 113.70 112.33 1yi2 s SER 105 Ca -0.02 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1yi2 s SER 105 Cb -0.01 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1yi2 s SER 105 CO -0.01 0.00 0.03 0.72 1.20 0.00 0.00 173.24 175.19 1yi2 s PHE 106 N 0.35 1.06 0.00 3.44 -0.71 -0.64 -4.99 117.98 116.49 1yi2 s PHE 106 Ca -0.04 -1.12 0.00 0.00 -1.04 0.00 0.00 56.93 54.73 1yi2 s PHE 106 Cb -0.07 -0.60 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1yi2 s PHE 106 CO -0.00 -0.36 0.00 0.41 -1.34 0.00 0.00 175.22 173.93 1yi2 n GLY 107 N -0.18 0.20 0.00 1.99 0.00 -1.26 -1.65 105.19 104.29 1yi2 n GLY 107 Ca -0.06 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1yi2 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yi2 n LEU 128 N 0.00 0.00 -4.90 0.99 0.00 -1.26 -4.93 117.00 106.90 1yi2 n LEU 128 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 1yi2 n LEU 128 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.37 1yi2 n LEU 128 CO 0.00 0.00 -0.05 -1.81 0.00 0.00 0.00 177.39 175.53 1yi2 s ASP 129 N 0.00 6.46 -0.10 1.96 1.01 -0.28 -4.99 116.67 120.73 1yi2 s ASP 129 Ca 0.00 0.49 -0.03 0.00 0.71 0.00 0.00 52.55 53.72 1yi2 s ASP 129 Cb 0.00 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.92 1yi2 s ASP 129 CO 0.00 0.15 0.05 -0.69 0.21 0.00 0.00 175.17 174.89 1yi2 s VAL 130 N -1.49 0.10 0.05 -1.27 1.01 -0.66 -1.68 120.40 116.46 1yi2 s VAL 130 Ca 0.35 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1yi2 s VAL 130 Cb -0.13 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1yi2 s VAL 130 CO 0.23 0.05 -0.13 -0.89 0.00 0.00 0.00 175.10 174.36 1yi2 s THR 131 N 2.07 3.19 -0.17 3.92 2.01 -0.10 -1.62 115.64 124.93 1yi2 s THR 131 Ca 0.04 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 60.96 1yi2 s THR 131 Cb -0.14 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.01 1yi2 s THR 131 CO -0.06 0.30 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 1yi2 s VAL 132 N -1.02 1.79 -0.33 3.82 1.01 -0.50 -1.30 120.40 123.88 1yi2 s VAL 132 Ca 0.17 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1yi2 s VAL 132 Cb -0.11 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1yi2 s VAL 132 CO 0.08 0.41 0.31 0.21 0.00 0.00 0.00 175.10 176.11 1yi2 s ASN 133 N 1.38 6.14 0.03 3.32 3.04 0.12 -3.06 114.94 125.90 1yi2 s ASN 133 Ca 0.03 -0.20 0.05 0.00 0.04 0.00 0.00 52.86 52.79 1yi2 s ASN 133 Cb -0.14 -2.17 -0.03 0.00 -1.54 0.00 0.00 41.25 37.36 1yi2 s ASN 133 CO -0.11 -0.26 -0.12 -0.76 -3.04 0.00 0.00 177.10 172.81 1yi2 s LEU 134 N 1.92 2.90 0.14 3.21 1.43 -1.26 -0.62 118.68 126.40 1yi2 s LEU 134 Ca 0.10 -0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1yi2 s LEU 134 Cb -0.17 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.44 1yi2 s LEU 134 CO 0.11 0.26 0.98 0.54 0.23 0.00 0.00 176.35 178.47 1yi2 s VAL 135 N -0.98 0.00 0.22 -1.59 0.11 -0.97 -4.79 120.40 112.40 1yi2 s VAL 135 Ca 0.16 -0.64 -0.00 0.00 -2.93 0.00 0.00 61.98 58.57 1yi2 s VAL 135 Cb -0.11 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.71 1yi2 s VAL 135 CO 0.07 0.00 0.40 0.00 -3.33 0.00 0.00 175.10 172.24 1yi2 s ARG 136 N -3.24 3.51 0.02 1.54 1.70 -1.26 -2.03 118.95 119.19 1yi2 s ARG 136 Ca 0.12 -0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 1yi2 s ARG 136 Cb -0.01 -2.83 0.05 0.00 -0.57 0.00 0.00 34.95 31.60 1yi2 s ARG 136 CO 0.02 0.38 0.11 -2.30 -1.08 0.00 0.00 175.30 172.43 1yi2 n PRO 137 N -0.83 -0.01 -0.97 3.89 -0.02 -1.26 -2.65 135.00 133.16 1yi2 n PRO 137 Ca -0.05 0.10 -0.21 0.00 -2.02 0.00 0.00 63.50 61.33 1yi2 n PRO 137 Cb 0.54 -0.16 0.08 0.00 -0.02 0.00 0.00 33.50 33.94 1yi2 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yi2 n GLY 138 N -1.03 4.36 0.17 -1.23 0.00 -1.26 -4.51 105.19 101.68 1yi2 n GLY 138 Ca 0.02 -1.24 0.02 0.00 0.00 0.00 0.00 46.02 44.81 1yi2 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1yi2 h TYR 139 N 1.30 0.00 -0.15 1.61 3.20 -1.91 -2.92 116.97 118.10 1yi2 h TYR 139 Ca 0.41 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.33 1yi2 h TYR 139 Cb 1.38 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1yi2 h TYR 139 CO 1.05 0.46 0.35 -0.09 -1.64 0.00 0.00 178.16 178.29 1yi2 h ARG 140 N 0.00 0.00 -0.11 1.82 2.43 -1.90 0.55 114.38 117.18 1yi2 h ARG 140 Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1yi2 h ARG 140 Cb 0.87 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1yi2 h ARG 140 CO 0.06 0.00 0.08 0.28 -1.51 0.00 0.00 179.97 178.88 1yi2 h VAL 141 N 0.00 0.88 -0.16 0.20 2.07 -1.83 -0.87 116.25 116.54 1yi2 h VAL 141 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1yi2 h VAL 141 Cb 0.77 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1yi2 h VAL 141 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1yi2 n ALA 142 N -2.53 2.42 -0.00 1.67 0.00 0.18 -0.33 120.51 121.91 1yi2 n ALA 142 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 53.44 52.67 1yi2 n ALA 142 Cb 0.20 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1yi2 n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yi2 n LYS 143 N 1.01 0.27 -1.46 0.00 4.76 -0.73 -4.79 118.16 117.24 1yi2 n LYS 143 Ca 0.12 -0.06 -0.29 0.00 -2.87 0.00 0.00 58.31 55.22 1yi2 n LYS 143 Cb 0.46 -1.15 0.13 0.00 -1.84 0.00 0.00 35.03 32.63 1yi2 n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1yi2 s ARG 144 N -2.43 1.25 -0.13 1.97 1.70 -0.41 -5.03 118.95 115.88 1yi2 s ARG 144 Ca -0.02 0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 55.56 1yi2 s ARG 144 Cb 0.04 -1.84 -0.10 0.00 -0.57 0.00 0.00 34.95 32.48 1yi2 s ARG 144 CO 0.26 -2.15 0.25 -0.44 -1.08 0.00 0.00 175.30 172.14 1yi2 h ASP 145 N -1.47 0.00 -3.74 -2.89 3.45 -1.95 -3.40 116.42 106.43 1yi2 h ASP 145 Ca -0.50 -0.37 -0.51 0.00 0.43 0.00 0.00 57.03 56.08 1yi2 h ASP 145 Cb 1.31 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.09 1yi2 h ASP 145 CO 0.60 0.78 0.46 -0.54 -1.57 0.00 0.00 179.24 178.97 1yi2 s LYS 146 N -1.92 4.66 -0.26 3.56 1.02 -1.26 -3.77 119.74 121.77 1yi2 s LYS 146 Ca -0.10 1.74 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1yi2 s LYS 146 Cb -0.00 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1yi2 s LYS 146 CO 0.30 0.22 0.00 0.00 -0.92 0.00 0.00 175.35 174.95 1yi2 n ALA 147 N 1.53 -0.74 -0.87 5.17 0.00 -1.26 -4.86 120.51 119.47 1yi2 n ALA 147 Ca -0.00 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1yi2 n ALA 147 Cb 0.45 -0.68 0.12 0.00 0.00 0.00 0.00 19.45 19.35 1yi2 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yi2 n SER 148 N -1.05 -1.51 -3.52 0.00 3.41 -1.25 -5.01 113.62 104.69 1yi2 n SER 148 Ca -0.03 0.39 -0.14 0.00 -0.26 0.00 0.00 58.87 58.83 1yi2 n SER 148 Cb 0.42 -1.26 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1yi2 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1yi2 s ARG 149 N -3.65 1.11 0.28 4.33 3.52 0.55 -4.99 118.95 120.10 1yi2 s ARG 149 Ca 0.60 -0.22 -0.21 0.00 -0.13 0.00 0.00 55.73 55.78 1yi2 s ARG 149 Cb -0.24 0.51 -0.09 0.00 -1.56 0.00 0.00 34.95 33.57 1yi2 s ARG 149 CO 0.64 -0.42 0.80 0.45 -0.81 0.00 0.00 175.30 175.96 1yi2 s SER 150 N -2.06 7.08 0.04 -2.12 0.15 -1.26 -2.84 113.70 112.68 1yi2 s SER 150 Ca -0.04 1.53 -0.30 0.00 0.70 0.00 0.00 55.95 57.83 1yi2 s SER 150 Cb -0.01 -2.46 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1yi2 s SER 150 CO -0.03 -0.06 1.42 -0.63 1.20 0.00 0.00 173.24 175.14 1yi2 s ILE 151 N -1.67 3.55 0.37 6.45 -1.09 -1.26 -4.97 121.20 122.58 1yi2 s ILE 151 Ca 0.48 1.00 -0.28 0.00 -2.23 0.00 0.00 60.65 59.62 1yi2 s ILE 151 Cb -0.16 -3.64 -0.11 0.00 -1.58 0.00 0.00 42.46 36.97 1yi2 s ILE 151 CO 0.20 0.02 1.40 -2.65 -1.23 0.00 0.00 174.94 172.68 1yi2 n PRO 152 N 5.01 2.40 -0.32 2.79 -0.02 -1.26 -4.78 135.00 138.82 1yi2 n PRO 152 Ca 0.13 0.84 0.17 0.00 -2.02 0.00 0.00 63.50 62.62 1yi2 n PRO 152 Cb 0.43 -2.52 0.37 0.00 -0.02 0.00 0.00 33.50 31.75 1yi2 n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1yi2 h THR 153 N 2.70 0.45 -0.79 3.45 1.35 -1.95 0.16 112.91 118.28 1yi2 h THR 153 Ca -0.49 -0.15 0.07 0.00 -0.55 0.00 0.00 66.41 65.29 1yi2 h THR 153 Cb 1.26 -0.02 -0.05 0.00 -1.73 0.00 0.00 68.15 67.61 1yi2 h THR 153 CO 0.63 0.08 0.52 0.11 -0.25 0.00 0.00 175.52 176.61 1yi2 h LYS 154 N 0.44 0.82 -0.13 4.72 6.56 -2.02 -0.28 116.57 126.69 1yi2 h LYS 154 Ca 0.62 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.16 1yi2 h LYS 154 Cb 1.24 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1yi2 h LYS 154 CO -0.53 0.55 0.00 1.58 -2.06 0.00 0.00 179.45 178.98 1yi2 n HIS 155 N -4.48 0.16 -1.78 -1.35 -0.00 0.49 -4.89 115.22 103.37 1yi2 n HIS 155 Ca 0.12 -0.08 -0.31 0.00 0.46 0.00 0.00 57.72 57.91 1yi2 n HIS 155 Cb 0.22 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.12 1yi2 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1yi2 s ARG 156 N -1.84 3.28 0.23 1.57 1.81 -0.12 -4.72 118.95 119.16 1yi2 s ARG 156 Ca 0.34 0.77 -0.10 0.00 -1.72 0.00 0.00 55.73 55.02 1yi2 s ARG 156 Cb 0.19 -2.04 -0.07 0.00 -0.45 0.00 0.00 34.95 32.57 1yi2 s ARG 156 CO 0.29 -0.81 0.56 -1.17 -0.68 0.00 0.00 175.30 173.49 1yi2 s LEU 157 N -5.32 4.17 0.30 2.53 2.96 -1.26 -5.03 118.68 117.03 1yi2 s LEU 157 Ca 0.56 0.95 0.09 0.00 -0.22 0.00 0.00 54.13 55.51 1yi2 s LEU 157 Cb -0.12 -3.69 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1yi2 s LEU 157 CO 0.54 -0.07 0.06 0.20 -1.32 0.00 0.00 176.35 175.76 1yi2 s ASN 158 N -2.33 4.61 0.13 3.68 -0.87 -1.26 -3.79 114.94 115.11 1yi2 s ASN 158 Ca 0.47 -0.71 -0.23 0.00 -1.57 0.00 0.00 52.86 50.83 1yi2 s ASN 158 Cb -0.11 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.25 40.29 1yi2 s ASN 158 CO 0.21 -0.14 1.66 -0.65 -2.57 0.00 0.00 177.10 175.61 1yi2 h PRO 159 N 1.73 -0.21 0.34 -0.60 0.11 -1.77 0.15 132.00 131.75 1yi2 h PRO 159 Ca -0.44 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1yi2 h PRO 159 Cb 1.25 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1yi2 h PRO 159 CO 0.62 -0.14 -0.41 0.00 -0.21 0.00 0.00 178.00 177.86 1yi2 h ALA 160 N 0.80 -1.04 -0.51 -0.75 0.00 -1.96 0.12 119.26 115.92 1yi2 h ALA 160 Ca 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1yi2 h ALA 160 Cb 0.34 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1yi2 h ALA 160 CO -0.23 -1.08 0.58 -0.44 0.00 0.00 0.00 179.25 178.07 1yi2 h ASP 161 N -0.77 0.00 0.09 0.00 3.32 -1.92 0.36 116.42 117.51 1yi2 h ASP 161 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1yi2 h ASP 161 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1yi2 h ASP 161 CO -0.08 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.39 1yi2 h ALA 162 N 1.32 -0.12 -0.44 3.45 0.00 0.25 -2.84 119.26 120.87 1yi2 h ALA 162 Ca 0.24 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1yi2 h ALA 162 Cb 1.39 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.14 1yi2 h ALA 162 CO -0.00 -0.18 -0.22 0.28 0.00 0.00 0.00 179.25 179.13 1yi2 h VAL 163 N -0.91 0.37 -0.09 0.00 2.07 0.93 -1.95 116.25 116.67 1yi2 h VAL 163 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1yi2 h VAL 163 Cb 0.55 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1yi2 h VAL 163 CO 0.02 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.36 1yi2 h ALA 164 N 1.15 -0.61 -0.55 1.67 0.00 -1.27 0.69 119.26 120.33 1yi2 h ALA 164 Ca 0.21 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1yi2 h ALA 164 Cb 0.46 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 1yi2 h ALA 164 CO -0.52 -0.71 -0.27 0.35 0.00 0.00 0.00 179.25 178.10 1yi2 h PHE 165 N -0.25 -0.71 0.13 0.00 3.57 -1.20 0.14 116.94 118.62 1yi2 h PHE 165 Ca 0.02 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1yi2 h PHE 165 Cb 0.30 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1yi2 h PHE 165 CO -0.54 -0.34 -0.06 0.82 -2.23 0.00 0.00 178.31 175.95 1yi2 h ILE 166 N -0.13 1.03 -1.00 1.41 2.04 -1.16 -3.11 117.51 116.59 1yi2 h ILE 166 Ca 0.24 -1.03 0.25 0.00 1.00 0.00 0.00 64.86 65.32 1yi2 h ILE 166 Cb 0.52 1.64 -0.13 0.00 -0.74 0.00 0.00 36.82 38.11 1yi2 h ILE 166 CO -0.63 0.23 0.59 -0.08 0.00 0.00 0.00 178.15 178.26 1yi2 h GLU 167 N -0.70 0.55 -1.43 2.37 4.81 0.61 0.99 114.58 121.78 1yi2 h GLU 167 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1yi2 h GLU 167 Cb 0.52 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1yi2 h GLU 167 CO 0.03 0.36 0.00 0.45 -0.73 0.00 0.00 179.01 179.12 1yi2 n SER 168 N -4.90 2.27 -2.88 1.04 2.88 0.46 -4.03 113.62 108.46 1yi2 n SER 168 Ca 0.27 -1.44 -0.12 0.00 -1.33 0.00 0.00 58.87 56.25 1yi2 n SER 168 Cb 0.76 -0.40 0.02 0.00 -0.75 0.00 0.00 64.21 63.83 1yi2 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1yi2 n THR 169 N 0.82 -0.20 -2.71 2.46 -1.04 0.34 -5.00 114.28 108.95 1yi2 n THR 169 Ca 0.00 -2.20 -0.08 0.00 -2.04 0.00 0.00 64.05 59.73 1yi2 n THR 169 Cb 0.34 0.51 0.04 0.00 -1.82 0.00 0.00 70.33 69.40 1yi2 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1yi2 n TYR 170 N 1.61 -1.06 -3.25 -1.42 4.02 -1.26 -5.01 117.16 110.79 1yi2 n TYR 170 Ca 0.13 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.46 1yi2 n TYR 170 Cb 0.60 -3.36 0.00 0.00 -0.02 0.00 0.00 39.34 36.56 1yi2 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1yi2 n ASP 171 N -1.80 0.00 -4.09 7.72 5.68 -1.26 -4.95 116.55 117.85 1yi2 n ASP 171 Ca -0.12 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.04 1yi2 n ASP 171 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 1yi2 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yi2 s VAL 172 N -3.00 0.62 0.00 2.12 1.01 -1.26 -4.82 120.40 115.07 1yi2 s VAL 172 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1yi2 s VAL 172 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1yi2 s VAL 172 CO 0.00 -0.43 0.00 -1.84 0.00 0.00 0.00 175.10 172.83 1yi2 n GLU 173 N 1.24 1.78 0.00 2.72 0.28 -1.26 -4.77 120.64 120.63 1yi2 n GLU 173 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.79 1yi2 n GLU 173 Cb 0.55 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.42 1yi2 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25