#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hna s MET 2 N 0.00 3.61 -0.18 0.54 -1.94 -0.67 -4.83 119.30 115.83 1hna s MET 2 Ca 0.00 0.34 -0.00 0.00 -1.71 0.00 0.00 55.69 54.32 1hna s MET 2 Cb 0.00 -2.34 0.01 0.00 2.01 0.00 0.00 34.83 34.51 1hna s MET 2 CO 0.00 -0.21 -0.15 0.99 -0.01 0.00 0.00 175.02 175.64 1hna s THR 3 N -2.70 2.57 -0.23 2.05 2.01 -0.35 -0.72 115.64 118.27 1hna s THR 3 Ca 0.49 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1hna s THR 3 Cb -0.10 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1hna s THR 3 CO 0.43 0.50 0.04 -0.22 -0.69 0.00 0.00 174.62 174.69 1hna s LEU 4 N 1.14 3.40 -0.08 4.42 2.96 -0.48 -1.02 118.68 129.03 1hna s LEU 4 Ca 0.01 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1hna s LEU 4 Cb -0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1hna s LEU 4 CO -0.06 0.02 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.07 1hna s GLY 5 N 1.31 1.64 0.07 7.98 0.00 -0.49 -0.88 107.32 116.95 1hna s GLY 5 Ca 0.05 -0.90 -0.28 0.00 0.00 0.00 0.00 44.72 43.59 1hna s GLY 5 CO 0.03 -0.59 1.14 -0.47 0.00 0.00 0.00 173.10 173.20 1hna s TYR 6 N -0.58 -0.07 0.82 1.90 5.04 -0.91 -1.91 117.35 121.64 1hna s TYR 6 Ca 0.09 -0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.47 1hna s TYR 6 Cb -0.12 0.60 0.09 0.00 0.35 0.00 0.00 41.96 42.88 1hna s TYR 6 CO 0.02 -0.55 1.10 -1.58 -1.34 0.00 0.00 175.55 173.20 1hna s TRP 7 N -2.74 2.36 -1.52 4.97 0.52 -1.26 -1.89 118.94 119.38 1hna s TRP 7 Ca 0.14 1.55 -0.12 0.00 0.02 0.00 0.00 56.10 57.69 1hna s TRP 7 Cb 0.02 -3.11 -0.02 0.00 -1.15 0.00 0.00 33.47 29.20 1hna s TRP 7 CO -0.01 -2.08 2.54 -1.71 0.02 0.00 0.00 176.95 175.71 1hna n ASN 8 N -3.72 5.98 -3.67 2.95 4.05 0.21 -4.66 115.26 116.40 1hna n ASN 8 Ca 0.09 -2.71 -0.10 0.00 0.45 0.00 0.00 54.58 52.30 1hna n ASN 8 Cb 0.53 -1.60 -0.04 0.00 1.23 0.00 0.00 39.78 39.90 1hna n ASN 8 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1hna s ILE 9 N 2.79 0.05 0.00 -1.44 -1.09 -1.26 -4.27 121.20 115.98 1hna s ILE 9 Ca 0.57 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1hna s ILE 9 Cb 0.16 -1.31 -0.03 0.00 -1.58 0.00 0.00 42.46 39.70 1hna s ILE 9 CO -0.07 -0.25 0.76 -0.09 -1.23 0.00 0.00 174.94 174.06 1hna h ARG 10 N 2.31 -0.16 0.00 2.79 2.43 -0.54 -3.43 114.38 117.78 1hna h ARG 10 Ca -0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1hna h ARG 10 Cb 1.26 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1hna h ARG 10 CO 0.44 -0.11 0.00 0.41 -1.51 0.00 0.00 179.97 179.20 1hna n GLY 11 N -0.16 1.39 0.17 2.80 0.00 -1.26 -2.77 105.19 105.36 1hna n GLY 11 Ca -0.02 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1hna n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hna h LEU 12 N 0.00 0.00 -0.05 0.99 3.38 -1.96 -3.28 115.31 114.39 1hna h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hna h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1hna h LEU 12 CO 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.34 1hna n ALA 13 N -1.90 2.83 0.18 1.53 0.00 -1.15 -4.34 120.51 117.65 1hna n ALA 13 Ca 0.03 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.11 1hna n ALA 13 Cb 0.36 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.42 1hna n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hna h HIS 14 N 0.12 -0.82 -0.37 0.00 6.17 -1.58 0.06 115.15 118.72 1hna h HIS 14 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1hna h HIS 14 Cb 0.47 0.33 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 1hna h HIS 14 CO 0.00 -0.43 0.25 0.77 0.71 0.00 0.00 177.93 179.22 1hna h SER 15 N -0.62 0.43 -0.15 3.26 0.02 -1.82 -1.91 113.55 112.76 1hna h SER 15 Ca -0.01 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1hna h SER 15 Cb 0.58 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1hna h SER 15 CO -0.08 0.31 -0.11 0.40 -1.14 0.00 0.00 176.83 176.21 1hna h ILE 16 N 0.51 1.33 -0.64 3.27 2.04 -1.67 -1.80 117.51 120.55 1hna h ILE 16 Ca 0.14 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.82 1hna h ILE 16 Cb -0.05 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1hna h ILE 16 CO -0.03 0.36 0.37 0.03 0.00 0.00 0.00 178.15 178.88 1hna h ARG 17 N -0.03 0.69 -0.79 2.37 3.08 -0.64 -0.42 114.38 118.64 1hna h ARG 17 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1hna h ARG 17 Cb 0.62 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 1hna h ARG 17 CO 0.03 0.46 0.38 -0.07 -1.07 0.00 0.00 179.97 179.70 1hna h LEU 18 N 0.71 1.03 -0.52 3.04 3.38 -1.33 -1.11 115.31 120.51 1hna h LEU 18 Ca 0.27 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 1hna h LEU 18 Cb 0.11 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1hna h LEU 18 CO -0.14 0.87 -0.27 0.25 0.09 0.00 0.00 178.44 179.24 1hna h LEU 19 N 1.11 0.95 -0.55 1.67 5.85 -0.69 0.02 115.31 123.67 1hna h LEU 19 Ca 0.27 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1hna h LEU 19 Cb 0.11 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1hna h LEU 19 CO -0.03 1.16 0.22 -0.07 -0.34 0.00 0.00 178.44 179.37 1hna h LEU 20 N 0.78 0.77 -0.38 2.25 3.38 -0.89 -1.35 115.31 119.88 1hna h LEU 20 Ca 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1hna h LEU 20 Cb 0.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1hna h LEU 20 CO 0.07 0.74 0.08 -0.33 0.09 0.00 0.00 178.44 179.09 1hna h GLU 21 N 0.76 0.62 -0.83 1.13 4.39 -1.07 -1.04 114.58 118.55 1hna h GLU 21 Ca 0.18 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1hna h GLU 21 Cb 0.21 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1hna h GLU 21 CO -0.01 0.67 0.55 -0.92 -1.16 0.00 0.00 179.01 178.13 1hna h TYR 22 N 0.47 1.04 -0.12 4.33 3.20 -0.81 -2.31 116.97 122.78 1hna h TYR 22 Ca 0.12 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1hna h TYR 22 Cb 0.33 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1hna h TYR 22 CO 0.02 0.66 0.00 0.25 -1.64 0.00 0.00 178.16 177.45 1hna n THR 23 N -4.51 0.15 -3.86 1.81 -2.24 -0.52 -4.92 114.28 100.19 1hna n THR 23 Ca 0.09 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1hna n THR 23 Cb 0.01 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1hna n THR 23 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1hna n ASP 24 N -0.01 -4.37 -4.76 3.42 -0.08 -0.82 -4.93 116.55 105.00 1hna n ASP 24 Ca 0.15 -0.77 -0.40 0.00 -1.51 0.00 0.00 54.79 52.27 1hna n ASP 24 Cb 0.25 -3.99 -0.06 0.00 2.34 0.00 0.00 41.12 39.66 1hna n ASP 24 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1hna s SER 25 N -3.47 7.60 -0.10 1.67 0.01 -0.46 -5.01 113.70 113.94 1hna s SER 25 Ca 0.56 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 59.41 1hna s SER 25 Cb -0.28 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.35 1hna s SER 25 CO 0.82 0.17 1.08 -0.55 0.41 0.00 0.00 173.24 175.17 1hna s SER 26 N -1.17 7.16 0.13 2.44 0.15 -1.26 -4.80 113.70 116.35 1hna s SER 26 Ca 0.40 1.61 -0.21 0.00 0.70 0.00 0.00 55.95 58.45 1hna s SER 26 Cb -0.25 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.56 1hna s SER 26 CO 0.31 -0.52 0.53 -0.72 1.20 0.00 0.00 173.24 174.04 1hna s TYR 27 N 2.21 -0.42 0.10 3.44 1.13 -1.26 -1.67 117.35 120.89 1hna s TYR 27 Ca 0.50 0.24 0.07 0.00 -1.41 0.00 0.00 57.07 56.48 1hna s TYR 27 Cb -0.20 0.43 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 1hna s TYR 27 CO 0.18 -0.77 -0.17 -1.83 -2.51 0.00 0.00 175.55 170.46 1hna s GLU 28 N -3.48 1.02 -0.14 -3.49 -1.05 0.11 -4.89 118.70 106.78 1hna s GLU 28 Ca 0.00 -1.15 -0.02 0.00 -0.15 0.00 0.00 54.97 53.65 1hna s GLU 28 Cb -0.00 -1.09 -0.02 0.00 -0.44 0.00 0.00 34.13 32.58 1hna s GLU 28 CO -0.10 0.24 -0.07 -1.21 0.95 0.00 0.00 175.26 175.06 1hna s GLU 29 N -2.15 3.53 -0.41 -4.83 2.02 -1.26 -1.38 118.70 114.22 1hna s GLU 29 Ca 0.06 -0.58 -0.11 0.00 0.02 0.00 0.00 54.97 54.36 1hna s GLU 29 Cb -0.08 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.41 1hna s GLU 29 CO 0.04 0.25 0.26 0.21 0.02 0.00 0.00 175.26 176.03 1hna s LYS 30 N 0.31 2.74 -0.11 1.61 2.47 -0.06 -4.97 119.74 121.74 1hna s LYS 30 Ca -0.06 -1.31 -0.05 0.00 -1.56 0.00 0.00 55.97 52.99 1hna s LYS 30 Cb -0.15 -3.81 -0.04 0.00 -1.46 0.00 0.00 37.83 32.37 1hna s LYS 30 CO 0.04 -0.87 0.10 0.15 0.16 0.00 0.00 175.35 174.93 1hna s LYS 31 N 1.50 3.31 -0.06 4.03 1.02 -1.26 -2.14 119.74 126.14 1hna s LYS 31 Ca 0.03 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.83 1hna s LYS 31 Cb -0.22 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 1hna s LYS 31 CO 0.04 0.76 -0.11 0.71 -0.92 0.00 0.00 175.35 175.83 1hna s TYR 32 N -1.00 2.81 0.10 3.18 2.02 -0.79 -4.89 117.35 118.78 1hna s TYR 32 Ca 0.15 -0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1hna s TYR 32 Cb -0.12 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1hna s TYR 32 CO 0.04 0.24 0.04 0.99 -1.57 0.00 0.00 175.55 175.28 1hna s THR 33 N -0.73 4.20 0.23 -0.71 2.01 -1.26 -0.62 115.64 118.76 1hna s THR 33 Ca 0.11 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.21 1hna s THR 33 Cb -0.11 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1hna s THR 33 CO 0.01 0.08 0.20 -0.04 -0.69 0.00 0.00 174.62 174.19 1hna s MET 34 N -2.46 2.99 -0.32 4.92 -1.94 -1.26 -4.61 119.30 116.62 1hna s MET 34 Ca 0.27 -0.97 -0.28 0.00 -1.71 0.00 0.00 55.69 53.00 1hna s MET 34 Cb -0.12 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1hna s MET 34 CO 0.20 0.42 2.09 0.20 -0.01 0.00 0.00 175.02 177.93 1hna s GLY 35 N -3.69 0.43 0.07 -0.03 0.00 -0.61 -4.73 107.32 98.77 1hna s GLY 35 Ca 0.33 0.40 -0.14 0.00 0.00 0.00 0.00 44.72 45.31 1hna s GLY 35 CO 0.25 3.66 1.23 1.34 0.00 0.00 0.00 173.10 179.58 1hna n ASP 36 N 11.97 -0.48 -4.63 1.64 -0.08 -1.26 -3.45 116.55 120.26 1hna n ASP 36 Ca 0.28 1.33 -0.29 0.00 -1.51 0.00 0.00 54.79 54.61 1hna n ASP 36 Cb 0.47 -0.37 0.19 0.00 2.34 0.00 0.00 41.12 43.76 1hna n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hna s ALA 37 N -4.67 0.66 0.00 -1.67 0.00 -1.26 -4.82 121.76 109.99 1hna s ALA 37 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1hna s ALA 37 Cb 0.05 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1hna s ALA 37 CO 0.28 -3.05 0.28 -2.30 0.00 0.00 0.00 175.76 170.96 1hna n PRO 38 N -4.35 0.00 -3.50 0.00 -0.02 -1.26 -2.85 135.00 123.01 1hna n PRO 38 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 1hna n PRO 38 Cb 0.56 -1.52 -0.08 0.00 -0.02 0.00 0.00 33.50 32.44 1hna n PRO 38 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1hna n ASP 39 N -0.69 3.99 -3.82 2.55 8.00 -1.26 -5.00 116.55 120.31 1hna n ASP 39 Ca 0.00 -3.36 -0.33 0.00 0.71 0.00 0.00 54.79 51.82 1hna n ASP 39 Cb 0.28 -0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 1hna n ASP 39 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1hna n TYR 40 N 1.31 0.23 -1.53 1.24 4.01 -1.13 -4.36 117.16 116.93 1hna n TYR 40 Ca 0.26 -0.36 -0.40 0.00 -0.16 0.00 0.00 57.90 57.24 1hna n TYR 40 Cb 0.38 -1.19 -0.06 0.00 -0.31 0.00 0.00 39.34 38.16 1hna n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1hna n ASP 41 N 11.31 2.09 -1.21 7.72 -0.08 -1.26 -3.91 116.55 131.21 1hna n ASP 41 Ca 0.41 -0.15 0.09 0.00 -1.51 0.00 0.00 54.79 53.63 1hna n ASP 41 Cb 0.42 -1.42 0.28 0.00 2.34 0.00 0.00 41.12 42.74 1hna n ASP 41 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1hna n ARG 42 N 8.76 2.76 0.16 -0.67 1.74 -1.26 -1.57 116.66 126.57 1hna n ARG 42 Ca 0.41 -2.23 0.15 0.00 -0.77 0.00 0.00 57.85 55.42 1hna n ARG 42 Cb 0.40 -1.60 0.74 0.00 -1.02 0.00 0.00 32.46 30.97 1hna n ARG 42 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1hna h SER 43 N 3.43 0.00 -0.43 0.55 0.02 -1.87 -1.34 113.55 113.92 1hna h SER 43 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1hna h SER 43 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1hna h SER 43 CO 0.09 0.00 0.25 -0.61 -1.14 0.00 0.00 176.83 175.42 1hna h GLN 44 N 0.00 0.61 0.02 3.45 4.15 -1.81 0.11 115.11 121.64 1hna h GLN 44 Ca 0.11 -0.05 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 1hna h GLN 44 Cb 0.50 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1hna h GLN 44 CO -0.00 0.45 -0.80 2.35 -1.93 0.00 0.00 178.83 178.90 1hna h TRP 45 N 0.62 0.09 -0.62 3.99 -0.00 -1.59 -3.36 115.95 115.08 1hna h TRP 45 Ca 0.16 -0.07 0.13 0.00 -0.00 0.00 0.00 58.89 59.12 1hna h TRP 45 Cb 0.01 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.13 1hna h TRP 45 CO 0.00 1.31 0.43 -0.07 -0.00 0.00 0.00 178.44 180.11 1hna h LEU 46 N -0.86 0.26 -1.57 0.65 3.38 -1.17 0.75 115.31 116.74 1hna h LEU 46 Ca -0.20 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1hna h LEU 46 Cb 1.28 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1hna h LEU 46 CO -0.07 0.14 -0.17 0.78 0.09 0.00 0.00 178.44 179.21 1hna h ASN 47 N 0.28 0.00 0.00 -0.43 2.35 -0.94 -3.18 115.58 113.66 1hna h ASN 47 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1hna h ASN 47 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1hna h ASN 47 CO -0.07 0.17 0.00 -1.84 -1.65 0.00 0.00 177.43 174.04 1hna n GLU 48 N -3.53 2.15 -0.20 0.81 0.28 -0.35 -4.82 120.64 114.98 1hna n GLU 48 Ca -0.01 -1.22 0.01 0.00 -0.16 0.00 0.00 57.16 55.78 1hna n GLU 48 Cb 0.32 -0.88 0.11 0.00 1.43 0.00 0.00 31.44 32.42 1hna n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1hna h LYS 49 N 0.00 0.25 -0.64 3.44 3.64 -0.90 -2.04 116.57 120.33 1hna h LYS 49 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1hna h LYS 49 Cb 0.60 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1hna h LYS 49 CO 0.00 0.16 0.00 1.19 -2.27 0.00 0.00 179.45 178.53 1hna n PHE 50 N -5.13 1.59 -0.68 1.91 3.72 -1.26 -4.23 117.46 113.37 1hna n PHE 50 Ca 0.09 -0.59 0.06 0.00 -0.05 0.00 0.00 57.45 56.96 1hna n PHE 50 Cb 0.33 -0.33 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1hna n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1hna n LYS 51 N 0.84 1.94 -0.00 -1.08 5.02 -0.77 -4.63 118.16 119.48 1hna n LYS 51 Ca 0.24 -2.20 0.08 0.00 -2.02 0.00 0.00 58.31 54.41 1hna n LYS 51 Cb 0.95 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.53 1hna n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1hna n LEU 52 N -1.07 0.78 0.00 -0.35 4.77 -1.23 -4.99 117.00 114.92 1hna n LEU 52 Ca 0.10 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1hna n LEU 52 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1hna n LEU 52 CO 0.01 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1hna n GLY 53 N 1.41 0.45 3.73 -0.72 0.00 -1.26 -5.03 105.19 103.77 1hna n GLY 53 Ca 0.03 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1hna n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hna s LEU 54 N 0.00 4.49 0.19 0.99 1.43 -1.26 -4.96 118.68 119.56 1hna s LEU 54 Ca 0.00 1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 1hna s LEU 54 Cb 0.00 -3.50 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1hna s LEU 54 CO 0.00 -0.04 1.72 0.44 0.23 0.00 0.00 176.35 178.70 1hna h ASP 55 N 5.56 0.98 -2.59 2.29 3.32 -1.96 -3.34 116.42 120.68 1hna h ASP 55 Ca -0.43 -0.21 -0.60 0.00 0.02 0.00 0.00 57.03 55.81 1hna h ASP 55 Cb 1.21 -0.26 -0.40 0.00 0.22 0.00 0.00 39.33 40.10 1hna h ASP 55 CO 0.71 0.93 -0.82 0.49 -1.72 0.00 0.00 179.24 178.84 1hna n PHE 56 N -4.32 0.82 -1.58 4.55 3.72 -1.26 -5.11 117.46 114.28 1hna n PHE 56 Ca 0.05 -3.72 -0.48 0.00 -0.05 0.00 0.00 57.45 53.25 1hna n PHE 56 Cb 0.22 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1hna n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1hna n PRO 57 N 2.34 1.19 -3.60 -1.08 -0.02 -1.26 -4.85 135.00 127.73 1hna n PRO 57 Ca 0.26 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 62.18 1hna n PRO 57 Cb 0.43 -1.89 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1hna n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1hna s ASN 58 N -0.13 -0.05 -0.06 2.55 3.84 -1.26 -5.11 114.94 114.73 1hna s ASN 58 Ca 0.70 -0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.71 1hna s ASN 58 Cb -0.82 0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.00 1hna s ASN 58 CO 0.54 -0.22 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.69 1hna s LEU 59 N -2.95 1.88 0.74 3.21 1.43 -1.26 -4.06 118.68 117.66 1hna s LEU 59 Ca 0.14 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 1hna s LEU 59 Cb 0.05 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.31 1hna s LEU 59 CO -0.05 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.60 1hna s PRO 60 N 0.24 2.37 0.06 1.29 0.04 -1.26 -4.96 135.00 132.78 1hna s PRO 60 Ca -0.09 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1hna s PRO 60 Cb -0.14 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1hna s PRO 60 CO 0.04 -1.29 -0.05 1.52 0.04 0.00 0.00 177.00 177.27 1hna s TYR 61 N -3.41 0.62 -0.06 0.56 -0.85 -0.80 -4.02 117.35 109.39 1hna s TYR 61 Ca 0.60 -0.91 -0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1hna s TYR 61 Cb -0.11 -0.41 0.03 0.00 0.38 0.00 0.00 41.96 41.85 1hna s TYR 61 CO 0.49 -0.26 -0.02 -1.17 -1.52 0.00 0.00 175.55 173.07 1hna s LEU 62 N -2.68 0.96 -0.21 -3.49 2.96 -0.06 -1.39 118.68 114.76 1hna s LEU 62 Ca 0.04 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1hna s LEU 62 Cb 0.04 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1hna s LEU 62 CO -0.06 -0.13 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.16 1hna s ILE 63 N 1.46 3.39 -0.48 6.68 -1.09 -0.19 -0.65 121.20 130.33 1hna s ILE 63 Ca -0.03 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1hna s ILE 63 Cb -0.13 -2.54 0.15 0.00 -1.58 0.00 0.00 42.46 38.37 1hna s ILE 63 CO -0.03 0.43 0.32 -0.62 -1.23 0.00 0.00 174.94 173.81 1hna s ASP 64 N 1.38 3.11 1.52 3.58 2.15 0.16 -1.22 116.67 127.35 1hna s ASP 64 Ca 0.05 -2.97 0.00 0.00 0.43 0.00 0.00 52.55 50.05 1hna s ASP 64 Cb -0.14 -0.90 0.00 0.00 -0.30 0.00 0.00 42.92 41.58 1hna s ASP 64 CO -0.03 -0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 1hna n GLY 65 N 3.05 1.89 0.03 2.66 0.00 -1.26 -1.42 105.19 110.13 1hna n GLY 65 Ca 0.18 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1hna n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hna n THR 66 N 0.00 0.19 -3.13 2.61 -2.24 -1.26 -4.82 114.28 105.62 1hna n THR 66 Ca 0.00 -0.14 -0.40 0.00 -2.27 0.00 0.00 64.05 61.23 1hna n THR 66 Cb 0.00 -0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 1hna n THR 66 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1hna s HIS 67 N -3.09 3.28 -0.22 4.78 4.02 -0.51 -5.02 115.29 118.54 1hna s HIS 67 Ca 0.09 0.79 0.01 0.00 1.02 0.00 0.00 55.06 56.97 1hna s HIS 67 Cb 0.15 -2.82 0.05 0.00 -1.02 0.00 0.00 32.58 28.95 1hna s HIS 67 CO 0.69 -0.31 -0.09 0.15 1.02 0.00 0.00 174.74 176.21 1hna s LYS 68 N 2.45 1.89 -0.05 1.40 1.02 -1.26 0.35 119.74 125.55 1hna s LYS 68 Ca 0.25 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.38 1hna s LYS 68 Cb -0.16 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 1hna s LYS 68 CO 0.09 -0.50 -0.23 0.42 -0.92 0.00 0.00 175.35 174.21 1hna s ILE 69 N 1.38 2.26 0.48 2.17 1.01 0.18 -4.80 121.20 123.87 1hna s ILE 69 Ca -0.03 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1hna s ILE 69 Cb -0.17 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1hna s ILE 69 CO -0.07 0.57 0.02 0.42 0.00 0.00 0.00 174.94 175.88 1hna s THR 70 N -0.39 1.43 0.00 2.92 -4.23 -1.26 -0.88 115.64 113.23 1hna s THR 70 Ca 0.03 -1.98 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1hna s THR 70 Cb -0.12 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1hna s THR 70 CO 0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.10 1hna n GLN 71 N -1.20 -1.07 -0.30 3.99 1.13 -1.26 -4.46 117.38 114.22 1hna n GLN 71 Ca -0.14 1.17 0.12 0.00 -1.94 0.00 0.00 57.00 56.21 1hna n GLN 71 Cb 0.67 -1.40 0.29 0.00 0.11 0.00 0.00 30.24 29.91 1hna n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1hna h SER 72 N 0.88 0.22 -0.50 1.08 4.64 -1.93 -0.53 113.55 117.41 1hna h SER 72 Ca -0.01 0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1hna h SER 72 Cb 0.01 0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1hna h SER 72 CO 0.00 -0.04 -0.03 0.78 -0.87 0.00 0.00 176.83 176.67 1hna h ASN 73 N 0.34 0.93 -0.32 4.97 2.35 -1.96 -1.34 115.58 120.55 1hna h ASN 73 Ca 0.54 -0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.94 1hna h ASN 73 Cb 1.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.13 1hna h ASN 73 CO -0.55 1.00 -0.11 0.00 -1.65 0.00 0.00 177.43 176.13 1hna h ALA 74 N 1.09 1.03 -0.13 -0.83 0.00 -1.38 -1.62 119.26 117.42 1hna h ALA 74 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hna h ALA 74 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1hna h ALA 74 CO 0.03 0.59 0.03 0.82 0.00 0.00 0.00 179.25 180.72 1hna h ILE 75 N 0.68 1.20 -0.34 0.00 2.04 -1.00 -0.65 117.51 119.44 1hna h ILE 75 Ca 0.12 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1hna h ILE 75 Cb 0.57 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1hna h ILE 75 CO 0.04 0.19 0.21 -0.07 0.00 0.00 0.00 178.15 178.51 1hna h LEU 76 N 0.01 0.35 -1.26 1.44 3.38 -1.12 -2.38 115.31 115.73 1hna h LEU 76 Ca 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1hna h LEU 76 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1hna h LEU 76 CO 0.00 0.25 0.25 0.03 0.09 0.00 0.00 178.44 179.06 1hna h ARG 77 N 0.42 0.76 0.15 1.13 3.08 -1.19 -0.24 114.38 118.50 1hna h ARG 77 Ca 0.13 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1hna h ARG 77 Cb -0.02 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1hna h ARG 77 CO -0.05 0.60 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.46 1hna h TYR 78 N 0.76 -0.18 -0.39 3.04 3.20 -0.67 -1.22 116.97 121.51 1hna h TYR 78 Ca 0.19 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1hna h TYR 78 Cb 0.09 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1hna h TYR 78 CO 0.01 -0.08 -0.12 0.82 -1.64 0.00 0.00 178.16 177.15 1hna h ILE 79 N -0.24 1.28 -0.75 1.81 2.04 -1.19 -3.13 117.51 117.31 1hna h ILE 79 Ca -0.02 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.63 1hna h ILE 79 Cb 0.19 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1hna h ILE 79 CO 0.03 0.41 0.49 0.00 0.00 0.00 0.00 178.15 179.09 1hna h ALA 80 N 0.83 0.97 -0.82 1.87 0.00 -0.98 -2.16 119.26 118.96 1hna h ALA 80 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1hna h ALA 80 Cb 0.65 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1hna h ALA 80 CO 0.04 0.34 0.54 -0.09 0.00 0.00 0.00 179.25 180.09 1hna h ARG 81 N 0.99 0.94 0.00 0.00 2.43 -1.21 -0.69 114.38 116.85 1hna h ARG 81 Ca 0.29 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1hna h ARG 81 Cb -0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1hna h ARG 81 CO -0.08 0.62 0.00 1.63 -1.51 0.00 0.00 179.97 180.63 1hna n LYS 82 N -4.47 0.23 -0.73 0.20 5.02 -0.83 -3.78 118.16 113.80 1hna n LYS 82 Ca 0.11 0.32 0.06 0.00 -2.02 0.00 0.00 58.31 56.78 1hna n LYS 82 Cb 0.16 -1.84 0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1hna n LYS 82 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1hna n HIS 83 N -2.24 0.00 -3.45 2.13 8.25 -0.37 -5.01 115.22 114.53 1hna n HIS 83 Ca 0.04 -1.10 -0.25 0.00 -0.26 0.00 0.00 57.72 56.15 1hna n HIS 83 Cb 0.33 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.28 1hna n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1hna n ASN 84 N -0.71 -5.58 -2.28 0.41 3.02 -0.92 -4.90 115.26 104.30 1hna n ASN 84 Ca 0.14 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 53.90 1hna n ASN 84 Cb 0.79 -4.47 0.04 0.00 -0.61 0.00 0.00 39.78 35.54 1hna n ASN 84 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hna n LEU 85 N -4.44 6.20 -4.31 3.41 4.77 -0.61 -4.98 117.00 117.05 1hna n LEU 85 Ca -0.03 -4.65 -0.21 0.00 -0.03 0.00 0.00 56.01 51.09 1hna n LEU 85 Cb 0.57 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1hna n LEU 85 CO 0.60 1.85 -0.48 0.00 -1.33 0.00 0.00 177.39 178.03 1hna s GLY 87 N -2.52 2.87 -0.22 0.00 0.00 -1.26 -4.98 107.32 101.22 1hna s GLY 87 Ca 0.13 1.13 -0.08 0.00 0.00 0.00 0.00 44.72 45.91 1hna s GLY 87 CO 0.06 1.66 -0.25 1.18 0.00 0.00 0.00 173.10 175.74 1hna n GLU 88 N -0.21 0.48 -1.99 2.90 1.02 -1.26 -4.66 120.64 116.92 1hna n GLU 88 Ca 0.06 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.08 1hna n GLU 88 Cb 0.45 -1.31 0.03 0.00 -0.02 0.00 0.00 31.44 30.60 1hna n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1hna s SER 89 N -6.69 5.67 0.42 1.62 1.04 -1.26 -4.85 113.70 109.64 1hna s SER 89 Ca -0.30 1.12 0.11 0.00 0.48 0.00 0.00 55.95 57.37 1hna s SER 89 Cb 0.10 -2.03 0.95 0.00 0.10 0.00 0.00 66.02 65.15 1hna s SER 89 CO 0.41 -1.17 1.98 -0.08 0.98 0.00 0.00 173.24 175.36 1hna h GLU 90 N -0.48 0.48 -0.54 4.02 4.81 -1.99 -0.50 114.58 120.39 1hna h GLU 90 Ca -0.45 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 1hna h GLU 90 Cb 1.24 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1hna h GLU 90 CO 0.63 0.32 0.01 -0.22 -0.73 0.00 0.00 179.01 179.02 1hna h LYS 91 N 0.50 0.94 -0.26 1.92 1.63 -2.00 -1.19 116.57 118.10 1hna h LYS 91 Ca 0.28 -0.29 -0.17 0.00 -0.85 0.00 0.00 60.65 59.61 1hna h LYS 91 Cb 0.43 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1hna h LYS 91 CO -0.08 0.95 -0.52 0.93 -3.45 0.00 0.00 179.45 177.27 1hna h GLU 92 N 0.81 0.76 -0.60 1.90 5.08 -1.65 -2.46 114.58 118.43 1hna h GLU 92 Ca 0.15 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1hna h GLU 92 Cb 0.51 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1hna h GLU 92 CO 0.02 1.09 0.01 1.96 -1.00 0.00 0.00 179.01 181.10 1hna h GLN 93 N 0.59 1.05 -0.63 2.33 4.20 -0.95 0.51 115.11 122.21 1hna h GLN 93 Ca 0.02 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 1hna h GLN 93 Cb 1.10 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 1hna h GLN 93 CO 0.11 1.02 0.34 0.82 -0.67 0.00 0.00 178.83 180.45 1hna h ILE 94 N 0.94 1.20 -0.27 2.54 2.04 -1.20 -1.48 117.51 121.28 1hna h ILE 94 Ca 0.17 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1hna h ILE 94 Cb 0.54 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1hna h ILE 94 CO 0.03 0.22 0.10 0.03 0.00 0.00 0.00 178.15 178.53 1hna h ARG 95 N 0.86 0.42 -0.34 2.37 3.08 -1.07 -1.99 114.38 117.71 1hna h ARG 95 Ca 0.22 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 1hna h ARG 95 Cb 0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1hna h ARG 95 CO -0.03 0.46 -0.09 1.05 -1.07 0.00 0.00 179.97 180.29 1hna h GLU 96 N 0.28 0.56 -0.23 0.04 4.11 -0.72 -0.68 114.58 117.95 1hna h GLU 96 Ca 0.09 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 1hna h GLU 96 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1hna h GLU 96 CO -0.01 0.65 0.08 -0.44 0.07 0.00 0.00 179.01 179.36 1hna h ASP 97 N 0.52 0.33 -0.13 3.06 3.32 -1.11 0.15 116.42 122.57 1hna h ASP 97 Ca 0.10 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1hna h ASP 97 Cb 0.47 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1hna h ASP 97 CO 0.03 0.43 0.05 0.40 -1.72 0.00 0.00 179.24 178.43 1hna h ILE 98 N 0.20 1.14 -0.35 0.35 2.04 -1.14 -2.78 117.51 116.98 1hna h ILE 98 Ca 0.07 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1hna h ILE 98 Cb 0.22 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1hna h ILE 98 CO -0.00 0.13 0.20 -0.07 0.00 0.00 0.00 178.15 178.41 1hna h LEU 99 N 0.05 0.43 -0.68 1.44 3.38 -0.98 0.16 115.31 119.11 1hna h LEU 99 Ca 0.04 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1hna h LEU 99 Cb 0.16 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 1hna h LEU 99 CO -0.00 0.37 0.31 -0.08 0.09 0.00 0.00 178.44 179.13 1hna h GLU 100 N 0.44 0.51 0.04 1.13 4.81 -0.69 0.94 114.58 121.77 1hna h GLU 100 Ca 0.12 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.09 1hna h GLU 100 Cb 0.03 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1hna h GLU 100 CO -0.02 0.34 -1.00 -0.91 -0.73 0.00 0.00 179.01 176.69 1hna h ASN 101 N 0.53 0.40 -0.29 1.04 2.35 -1.22 -3.04 115.58 115.35 1hna h ASN 101 Ca 0.34 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1hna h ASN 101 Cb 0.38 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1hna h ASN 101 CO -0.28 1.19 -0.00 -0.61 -1.65 0.00 0.00 177.43 176.07 1hna h GLN 102 N 0.14 0.51 -0.51 0.81 5.75 -0.08 -2.41 115.11 119.32 1hna h GLN 102 Ca -0.08 -0.17 -0.04 0.00 -0.15 0.00 0.00 58.65 58.22 1hna h GLN 102 Cb 1.66 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.14 1hna h GLN 102 CO 0.16 0.67 0.16 0.74 -2.65 0.00 0.00 178.83 177.91 1hna h PHE 103 N 0.30 0.77 -0.74 3.99 0.04 -0.91 -1.72 116.94 118.67 1hna h PHE 103 Ca 0.08 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1hna h PHE 103 Cb 0.44 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1hna h PHE 103 CO 0.04 0.63 0.32 1.98 -0.60 0.00 0.00 178.31 180.68 1hna h MET 104 N 0.75 1.09 -0.43 1.51 4.05 -1.39 0.69 114.93 121.18 1hna h MET 104 Ca 0.17 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1hna h MET 104 Cb 0.22 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1hna h MET 104 CO -0.01 0.87 0.27 -0.44 0.23 0.00 0.00 176.91 177.83 1hna h ASP 105 N 1.05 0.52 -0.52 1.39 3.32 -0.90 -0.88 116.42 120.41 1hna h ASP 105 Ca 0.25 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1hna h ASP 105 Cb 0.17 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1hna h ASP 105 CO -0.03 0.42 0.19 0.28 -1.72 0.00 0.00 179.24 178.39 1hna h SER 106 N 0.58 0.72 -0.32 6.45 0.02 -0.82 -2.65 113.55 117.53 1hna h SER 106 Ca 0.16 -0.18 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1hna h SER 106 Cb -0.01 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.30 1hna h SER 106 CO -0.03 0.71 0.09 -0.09 -1.14 0.00 0.00 176.83 176.37 1hna h ARG 107 N 0.70 0.22 -0.38 3.45 2.43 -0.60 -2.29 114.38 117.90 1hna h ARG 107 Ca 0.17 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1hna h ARG 107 Cb 0.22 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1hna h ARG 107 CO -0.01 0.14 0.25 0.52 -1.51 0.00 0.00 179.97 179.37 1hna h MET 108 N 0.22 0.35 -0.40 0.20 2.86 -0.90 0.74 114.93 118.01 1hna h MET 108 Ca 0.15 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1hna h MET 108 Cb 0.13 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1hna h MET 108 CO -0.17 0.23 -0.19 1.96 1.06 0.00 0.00 176.91 179.80 1hna h GLN 109 N 0.36 0.77 0.00 1.72 4.20 -1.07 -1.28 115.11 119.81 1hna h GLN 109 Ca 0.16 -0.29 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 1hna h GLN 109 Cb 0.19 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1hna h GLN 109 CO -0.04 0.90 -0.65 1.25 -0.67 0.00 0.00 178.83 179.63 1hna h LEU 110 N 0.68 0.56 -1.39 1.46 5.85 -1.10 -3.16 115.31 118.22 1hna h LEU 110 Ca 0.10 -0.76 0.11 0.00 0.84 0.00 0.00 57.88 58.17 1hna h LEU 110 Cb 0.69 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1hna h LEU 110 CO 0.05 1.25 0.52 0.00 -0.34 0.00 0.00 178.44 179.93 1hna h ALA 111 N 0.32 1.85 0.42 1.25 0.00 -0.80 -1.76 119.26 120.54 1hna h ALA 111 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1hna h ALA 111 Cb 1.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1hna h ALA 111 CO 0.13 -0.03 -0.30 -0.22 0.00 0.00 0.00 179.25 178.83 1hna h LYS 112 N 0.65 -0.68 -2.23 0.00 3.64 -1.24 -2.56 116.57 114.15 1hna h LYS 112 Ca 0.38 0.05 -0.41 0.00 -1.27 0.00 0.00 60.65 59.40 1hna h LYS 112 Cb 0.58 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.47 1hna h LYS 112 CO -0.15 -0.45 0.83 1.28 -2.27 0.00 0.00 179.45 178.69 1hna n LEU 113 N -5.43 6.45 0.17 5.20 4.77 -0.67 -3.67 117.00 123.82 1hna n LEU 113 Ca -0.11 -3.78 0.00 0.00 -0.03 0.00 0.00 56.01 52.09 1hna n LEU 113 Cb 0.33 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1hna n LEU 113 CO 0.32 1.81 0.00 0.00 -1.33 0.00 0.00 177.39 178.19 1hna n TYR 115 N -3.48 0.38 -4.59 0.00 4.02 -1.00 -0.29 117.16 112.21 1hna n TYR 115 Ca 0.00 -0.72 -0.32 0.00 -0.01 0.00 0.00 57.90 56.85 1hna n TYR 115 Cb 0.00 -0.36 -0.11 0.00 -0.02 0.00 0.00 39.34 38.85 1hna n TYR 115 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1hna s ASP 116 N 0.79 4.42 -0.01 7.72 2.15 -1.24 -4.91 116.67 125.58 1hna s ASP 116 Ca 0.07 -0.17 -0.25 0.00 0.43 0.00 0.00 52.55 52.64 1hna s ASP 116 Cb 0.06 -0.99 -0.18 0.00 -0.30 0.00 0.00 42.92 41.51 1hna s ASP 116 CO 0.01 0.31 1.23 1.55 -0.17 0.00 0.00 175.17 178.10 1hna h PRO 117 N 4.80 -0.19 -2.30 4.34 0.13 -1.94 -3.36 132.00 133.48 1hna h PRO 117 Ca -0.48 0.01 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 1hna h PRO 117 Cb 1.16 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1hna h PRO 117 CO 0.52 0.18 1.39 -0.25 -0.23 0.00 0.00 178.00 179.62 1hna n ASP 118 N -4.99 7.31 -0.30 1.44 9.92 -1.26 -4.67 116.55 123.99 1hna n ASP 118 Ca -0.09 -3.24 0.05 0.00 -0.53 0.00 0.00 54.79 50.99 1hna n ASP 118 Cb 0.24 -1.28 0.20 0.00 -0.64 0.00 0.00 41.12 39.64 1hna n ASP 118 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1hna h PHE 119 N 3.81 0.82 -1.02 1.24 3.57 -1.96 -2.03 116.94 121.37 1hna h PHE 119 Ca 0.55 0.03 0.26 0.00 3.53 0.00 0.00 57.97 62.35 1hna h PHE 119 Cb 0.47 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1hna h PHE 119 CO 1.51 0.26 0.68 1.49 -2.23 0.00 0.00 178.31 180.02 1hna h GLU 120 N 0.71 0.28 -0.00 1.11 4.81 -1.94 -1.56 114.58 117.98 1hna h GLU 120 Ca 0.44 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1hna h GLU 120 Cb 0.53 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1hna h GLU 120 CO -0.31 0.19 -0.07 0.87 -0.73 0.00 0.00 179.01 178.95 1hna h LYS 121 N 0.29 0.06 0.00 1.92 1.57 -1.76 -3.38 116.57 115.26 1hna h LYS 121 Ca 0.54 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 59.16 1hna h LYS 121 Cb 1.58 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.89 1hna h LYS 121 CO -0.19 0.79 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.78 1hna h LEU 122 N -0.66 0.00 -0.50 2.94 4.07 -1.49 -3.39 115.31 116.29 1hna h LEU 122 Ca -0.01 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.03 1hna h LEU 122 Cb 0.82 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.46 1hna h LEU 122 CO 0.01 0.49 -0.42 0.50 -1.08 0.00 0.00 178.44 177.94 1hna h LYS 123 N 0.00 -0.26 -0.01 1.13 3.64 -1.49 -0.66 116.57 118.93 1hna h LYS 123 Ca -0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1hna h LYS 123 Cb 1.40 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1hna h LYS 123 CO 0.06 -0.17 0.02 -1.00 -2.27 0.00 0.00 179.45 176.09 1hna h PRO 124 N -0.27 0.00 0.21 1.90 0.13 -1.81 -1.32 132.00 130.83 1hna h PRO 124 Ca 0.16 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.95 1hna h PRO 124 Cb 0.57 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.72 1hna h PRO 124 CO -0.63 0.00 -1.68 0.93 -0.23 0.00 0.00 178.00 176.39 1hna h GLU 125 N 0.00 0.44 -0.94 0.86 3.07 -1.40 -3.16 114.58 113.44 1hna h GLU 125 Ca 0.00 -0.75 0.05 0.00 -0.50 0.00 0.00 59.36 58.16 1hna h GLU 125 Cb 0.04 0.28 -0.06 0.00 -0.84 0.00 0.00 28.75 28.17 1hna h GLU 125 CO -0.00 1.36 0.62 -0.92 -1.40 0.00 0.00 179.01 178.66 1hna h TYR 126 N 0.12 1.13 0.00 4.33 3.20 -0.31 0.52 116.97 125.97 1hna h TYR 126 Ca -0.32 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.56 1hna h TYR 126 Cb 2.12 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 40.01 1hna h TYR 126 CO 0.11 0.63 -0.10 -0.07 -1.64 0.00 0.00 178.16 177.09 1hna h LEU 127 N 1.14 0.00 -0.29 2.82 3.38 -1.39 -0.47 115.31 120.51 1hna h LEU 127 Ca 0.39 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.19 1hna h LEU 127 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1hna h LEU 127 CO -0.13 0.10 -0.79 1.56 0.09 0.00 0.00 178.44 179.26 1hna h GLN 128 N 0.00 0.00 0.00 1.13 4.20 -0.86 -3.29 115.11 116.30 1hna h GLN 128 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1hna h GLN 128 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1hna h GLN 128 CO 0.01 0.79 -1.31 0.00 -0.67 0.00 0.00 178.83 177.65 1hna h ALA 129 N 1.21 0.64 -0.62 3.87 0.00 -1.06 -3.40 119.26 119.91 1hna h ALA 129 Ca -0.01 -0.76 0.13 0.00 0.00 0.00 0.00 54.91 54.27 1hna h ALA 129 Cb 1.47 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1hna h ALA 129 CO 0.10 0.83 0.09 1.25 0.00 0.00 0.00 179.25 181.52 1hna h LEU 130 N 0.00 -0.10 -0.75 0.00 5.85 -1.17 -2.21 115.31 116.92 1hna h LEU 130 Ca -0.14 0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1hna h LEU 130 Cb 1.53 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.69 1hna h LEU 130 CO 0.04 -0.05 0.38 -0.65 -0.34 0.00 0.00 178.44 177.83 1hna h PRO 131 N 0.20 0.60 -0.56 5.25 0.11 -1.77 -0.16 132.00 135.67 1hna h PRO 131 Ca 0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1hna h PRO 131 Cb 0.52 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1hna h PRO 131 CO -0.46 0.40 0.26 1.49 -0.21 0.00 0.00 178.00 179.48 1hna h GLU 132 N 0.62 0.81 0.03 1.05 4.81 -1.68 0.41 114.58 120.63 1hna h GLU 132 Ca 0.38 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1hna h GLU 132 Cb 0.42 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1hna h GLU 132 CO -0.29 0.67 -0.01 1.98 -0.73 0.00 0.00 179.01 180.63 1hna h MET 133 N 0.76 -0.04 -0.70 1.92 4.05 -1.13 -2.35 114.93 117.43 1hna h MET 133 Ca 0.19 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 1hna h MET 133 Cb 0.13 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.91 1hna h MET 133 CO -0.02 -0.01 0.19 -0.07 0.23 0.00 0.00 176.91 177.23 1hna h LEU 134 N -0.06 1.05 -0.83 3.39 4.07 -0.92 -2.91 115.31 119.11 1hna h LEU 134 Ca -0.00 -0.22 0.02 0.00 0.08 0.00 0.00 57.88 57.75 1hna h LEU 134 Cb 0.05 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.47 1hna h LEU 134 CO 0.01 1.00 0.54 0.50 -1.08 0.00 0.00 178.44 179.41 1hna h LYS 135 N 1.05 1.05 -0.55 1.13 3.64 -0.76 0.72 116.57 122.84 1hna h LYS 135 Ca 0.22 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1hna h LYS 135 Cb 0.35 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1hna h LYS 135 CO -0.00 0.69 0.07 -0.07 -2.27 0.00 0.00 179.45 177.87 1hna h LEU 136 N 1.08 0.89 -0.59 5.20 3.38 -1.34 -0.19 115.31 123.74 1hna h LEU 136 Ca 0.32 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1hna h LEU 136 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1hna h LEU 136 CO -0.09 0.94 -0.12 1.88 0.09 0.00 0.00 178.44 181.14 1hna h TYR 137 N 0.81 1.12 -0.24 1.13 0.05 -1.26 -1.90 116.97 116.68 1hna h TYR 137 Ca 0.17 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1hna h TYR 137 Cb 0.44 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1hna h TYR 137 CO 0.03 1.04 0.11 1.03 -1.05 0.00 0.00 178.16 179.32 1hna h SER 138 N 0.89 0.32 -0.28 3.88 0.87 -0.67 -0.35 113.55 118.20 1hna h SER 138 Ca 0.14 -0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1hna h SER 138 Cb 0.68 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 1hna h SER 138 CO 0.05 0.37 -0.10 -0.61 -0.53 0.00 0.00 176.83 176.00 1hna h GLN 139 N 0.24 -0.04 0.29 2.24 -0.00 -0.95 -0.92 115.11 115.97 1hna h GLN 139 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1hna h GLN 139 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1hna h GLN 139 CO -0.01 -0.03 -0.14 0.35 0.00 0.00 0.00 178.83 179.00 1hna h PHE 140 N -0.04 -0.36 -0.63 3.99 3.57 -1.14 -2.94 116.94 119.39 1hna h PHE 140 Ca 0.14 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1hna h PHE 140 Cb 0.26 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1hna h PHE 140 CO -0.30 -0.16 0.34 1.25 -2.23 0.00 0.00 178.31 177.22 1hna h LEU 141 N -0.48 0.50 0.00 0.59 5.85 -0.94 -3.46 115.31 117.37 1hna h LEU 141 Ca -0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1hna h LEU 141 Cb 0.36 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1hna h LEU 141 CO 0.06 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.10 1hna n GLY 142 N -1.28 3.97 1.10 3.75 0.00 -0.36 -2.12 105.19 110.26 1hna n GLY 142 Ca 0.07 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1hna n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hna n LYS 143 N 14.00 2.44 -2.62 1.61 4.76 -1.26 -4.98 118.16 132.11 1hna n LYS 143 Ca 0.00 -2.23 -0.37 0.00 -2.87 0.00 0.00 58.31 52.83 1hna n LYS 143 Cb 0.00 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.65 1hna n LYS 143 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1hna s GLN 144 N -1.42 4.38 0.30 1.97 -0.21 -0.90 -4.96 119.66 118.82 1hna s GLN 144 Ca 0.37 1.48 0.07 0.00 0.02 0.00 0.00 55.36 57.30 1hna s GLN 144 Cb 0.22 -2.72 0.46 0.00 1.00 0.00 0.00 33.01 31.97 1hna s GLN 144 CO 0.30 0.06 1.70 -1.00 -2.12 0.00 0.00 175.29 174.22 1hna h PRO 145 N 2.91 0.20 -5.35 2.91 0.13 -1.89 -3.45 132.00 127.45 1hna h PRO 145 Ca -0.48 -0.10 -0.44 0.00 -0.87 0.00 0.00 66.00 64.12 1hna h PRO 145 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1hna h PRO 145 CO 0.64 0.60 -0.68 -1.58 -0.23 0.00 0.00 178.00 176.75 1hna s TRP 146 N -4.08 1.76 0.51 1.56 0.52 -0.80 -4.92 118.94 113.49 1hna s TRP 146 Ca -0.04 -0.76 0.23 0.00 0.02 0.00 0.00 56.10 55.55 1hna s TRP 146 Cb 0.13 -0.98 1.46 0.00 -1.15 0.00 0.00 33.47 32.93 1hna s TRP 146 CO 0.77 0.17 2.15 0.74 0.02 0.00 0.00 176.95 180.79 1hna h PHE 147 N 2.40 0.00 -0.02 -1.98 -1.00 -1.87 -2.30 116.94 112.17 1hna h PHE 147 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1hna h PHE 147 Cb 1.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.79 1hna h PHE 147 CO 0.65 0.06 -0.42 1.28 -1.61 0.00 0.00 178.31 178.27 1hna n LEU 148 N -4.08 2.15 0.00 1.54 4.77 -1.26 -4.92 117.00 115.20 1hna n LEU 148 Ca -0.03 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1hna n LEU 148 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1hna n LEU 148 CO 0.31 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1hna n GLY 149 N 1.41 0.50 0.00 -0.72 0.00 -0.87 -4.84 105.19 100.68 1hna n GLY 149 Ca 0.10 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 45.12 1hna n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hna n ASP 150 N 0.00 0.05 -4.33 1.61 8.00 -1.26 -1.90 116.55 118.71 1hna n ASP 150 Ca 0.00 0.35 -0.27 0.00 0.71 0.00 0.00 54.79 55.58 1hna n ASP 150 Cb 0.00 -0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 1hna n ASP 150 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1hna s LYS 151 N -2.94 1.37 0.13 -1.24 -2.85 -1.26 -4.87 119.74 108.07 1hna s LYS 151 Ca 0.16 -1.20 -0.30 0.00 -1.00 0.00 0.00 55.97 53.63 1hna s LYS 151 Cb 0.19 -1.69 -0.06 0.00 -2.06 0.00 0.00 37.83 34.21 1hna s LYS 151 CO 0.54 0.41 1.00 -1.50 0.10 0.00 0.00 175.35 175.89 1hna s ILE 152 N -1.02 4.32 0.34 3.79 2.07 -1.26 -4.59 121.20 124.85 1hna s ILE 152 Ca 0.10 1.96 0.04 0.00 -1.41 0.00 0.00 60.65 61.34 1hna s ILE 152 Cb -0.10 -4.25 -0.03 0.00 0.13 0.00 0.00 42.46 38.21 1hna s ILE 152 CO 0.04 0.32 0.17 0.42 -1.91 0.00 0.00 174.94 173.98 1hna s THR 153 N -0.11 0.36 0.53 4.00 -4.23 -1.26 -4.80 115.64 110.13 1hna s THR 153 Ca 0.47 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.19 1hna s THR 153 Cb -0.25 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.45 1hna s THR 153 CO 0.31 0.00 2.09 2.19 -0.54 0.00 0.00 174.62 178.67 1hna h PHE 154 N 2.06 0.00 0.00 3.99 -0.00 -1.43 -2.31 116.94 119.25 1hna h PHE 154 Ca -0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.62 1hna h PHE 154 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1hna h PHE 154 CO 1.31 0.00 -0.10 -0.39 -0.00 0.00 0.00 178.31 179.13 1hna h VAL 155 N 0.00 0.48 0.00 0.88 -1.51 -1.95 -2.00 116.25 112.15 1hna h VAL 155 Ca 0.10 -0.49 -0.07 0.00 -1.23 0.00 0.00 66.70 65.01 1hna h VAL 155 Cb 0.41 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 1hna h VAL 155 CO -0.00 0.10 -0.31 0.44 -1.23 0.00 0.00 177.57 176.56 1hna h ASP 156 N 0.00 0.00 0.26 4.19 3.32 -1.83 0.15 116.42 122.51 1hna h ASP 156 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1hna h ASP 156 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1hna h ASP 156 CO 0.01 0.31 -0.69 -0.26 -1.72 0.00 0.00 179.24 176.89 1hna h PHE 157 N 0.00 0.51 -0.04 4.55 -1.00 -1.50 0.05 116.94 119.51 1hna h PHE 157 Ca -0.00 -0.22 -0.08 0.00 2.81 0.00 0.00 57.97 60.48 1hna h PHE 157 Cb 0.62 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1hna h PHE 157 CO 0.00 0.95 -0.29 0.82 -1.61 0.00 0.00 178.31 178.19 1hna h ILE 158 N 0.27 1.46 -0.34 -0.55 2.04 -1.47 -2.87 117.51 116.05 1hna h ILE 158 Ca -0.02 -1.77 0.05 0.00 1.00 0.00 0.00 64.86 64.11 1hna h ILE 158 Cb 1.25 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 39.75 1hna h ILE 158 CO 0.12 0.50 0.07 0.00 0.00 0.00 0.00 178.15 178.84 1hna h ALA 159 N 0.38 0.36 -0.31 1.87 0.00 -0.63 -2.17 119.26 118.75 1hna h ALA 159 Ca -0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hna h ALA 159 Cb 0.96 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1hna h ALA 159 CO 0.06 -0.34 0.11 -0.92 0.00 0.00 0.00 179.25 178.16 1hna h TYR 160 N 0.19 0.19 -0.17 0.00 3.20 -1.04 -0.88 116.97 118.46 1hna h TYR 160 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1hna h TYR 160 Cb 0.17 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1hna h TYR 160 CO -0.18 0.08 -0.10 0.22 -1.64 0.00 0.00 178.16 176.55 1hna h ASP 161 N 0.24 -0.31 0.07 -2.11 3.58 -1.22 0.11 116.42 116.78 1hna h ASP 161 Ca 0.14 0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.46 1hna h ASP 161 Cb 0.11 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1hna h ASP 161 CO -0.14 -0.13 -0.72 -0.37 -2.88 0.00 0.00 179.24 175.00 1hna h VAL 162 N -0.09 1.33 -0.35 2.25 -1.51 -1.19 -1.90 116.25 114.79 1hna h VAL 162 Ca 0.10 -2.03 -0.15 0.00 -1.23 0.00 0.00 66.70 63.38 1hna h VAL 162 Cb 0.23 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1hna h VAL 162 CO -0.22 0.63 -0.37 -0.07 -1.23 0.00 0.00 177.57 176.30 1hna h LEU 163 N 0.40 0.94 -0.70 4.19 3.38 -1.05 -2.65 115.31 119.82 1hna h LEU 163 Ca -0.03 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 1hna h LEU 163 Cb 1.32 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1hna h LEU 163 CO 0.14 1.22 -0.21 -0.08 0.09 0.00 0.00 178.44 179.60 1hna h GLU 164 N 0.68 0.78 -0.14 1.13 4.22 -0.81 -1.39 114.58 119.05 1hna h GLU 164 Ca 0.05 -0.31 -0.05 0.00 0.08 0.00 0.00 59.36 59.14 1hna h GLU 164 Cb 0.97 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1hna h GLU 164 CO 0.09 0.92 -0.13 -0.09 -2.18 0.00 0.00 179.01 177.62 1hna h ARG 165 N 0.68 0.23 0.00 1.92 2.43 -1.26 -1.60 114.38 116.79 1hna h ARG 165 Ca 0.10 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1hna h ARG 165 Cb 0.72 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1hna h ARG 165 CO 0.06 0.36 -0.76 -0.91 -1.51 0.00 0.00 179.97 177.21 1hna h ASN 166 N 0.22 0.00 -0.67 -3.80 4.21 -1.08 -2.33 115.58 112.13 1hna h ASN 166 Ca 0.04 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.52 1hna h ASN 166 Cb 0.37 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1hna h ASN 166 CO 0.02 0.76 0.28 -0.61 -1.29 0.00 0.00 177.43 176.60 1hna h GLN 167 N 0.00 0.99 -0.21 0.81 4.15 -0.34 -0.64 115.11 119.87 1hna h GLN 167 Ca -0.01 -0.17 -0.14 0.00 0.77 0.00 0.00 58.65 59.10 1hna h GLN 167 Cb 1.49 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 1hna h GLN 167 CO 0.10 0.81 -0.47 -0.39 -1.93 0.00 0.00 178.83 176.96 1hna h VAL 168 N 0.94 1.31 0.73 2.39 -1.51 -1.31 -1.32 116.25 117.48 1hna h VAL 168 Ca 0.22 -1.67 -0.03 0.00 -1.23 0.00 0.00 66.70 63.99 1hna h VAL 168 Cb 0.18 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 1hna h VAL 168 CO -0.02 0.52 -0.38 0.15 -1.23 0.00 0.00 177.57 176.61 1hna h PHE 169 N 0.43 -0.98 -1.81 5.19 3.57 -0.85 -3.41 116.94 119.09 1hna h PHE 169 Ca 0.03 -0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.23 1hna h PHE 169 Cb 0.98 0.33 -0.29 0.00 2.79 0.00 0.00 35.95 39.76 1hna h PHE 169 CO 0.04 -0.60 -0.61 -2.00 -2.23 0.00 0.00 178.31 172.91 1hna s GLU 170 N -6.03 0.55 0.48 1.11 2.56 -0.30 -5.04 118.70 112.03 1hna s GLU 170 Ca -0.18 -0.41 0.14 0.00 0.00 0.00 0.00 54.97 54.52 1hna s GLU 170 Cb 0.03 -0.51 1.12 0.00 2.00 0.00 0.00 34.13 36.78 1hna s GLU 170 CO 0.62 -1.13 2.09 -1.00 -0.56 0.00 0.00 175.26 175.27 1hna h PRO 171 N 7.54 0.08 0.00 4.30 0.13 -1.42 -2.49 132.00 140.15 1hna h PRO 171 Ca -0.02 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 1hna h PRO 171 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1hna h PRO 171 CO 0.23 0.11 -0.02 0.66 -0.23 0.00 0.00 178.00 178.75 1hna h SER 172 N 0.08 0.00 -0.34 1.44 4.64 -1.93 -1.43 113.55 116.02 1hna h SER 172 Ca 0.02 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.21 1hna h SER 172 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1hna h SER 172 CO 0.00 0.02 -0.27 0.00 -0.87 0.00 0.00 176.83 175.72 1hna h LEU 174 N 0.73 0.00 -1.65 0.00 -0.00 -1.43 -2.86 115.31 110.10 1hna h LEU 174 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1hna h LEU 174 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1hna h LEU 174 CO 0.07 0.46 -0.02 0.44 -0.00 0.00 0.00 178.44 179.39 1hna h ASP 175 N 0.00 0.18 0.94 -0.43 3.32 -1.15 -1.05 116.42 118.23 1hna h ASP 175 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1hna h ASP 175 Cb 1.04 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1hna h ASP 175 CO 0.06 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 1hna h ALA 176 N 1.79 1.00 -2.99 3.45 0.00 -1.35 -3.35 119.26 117.82 1hna h ALA 176 Ca 0.05 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.34 1hna h ALA 176 Cb 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.55 1hna h ALA 176 CO 0.00 0.00 -0.70 -0.06 0.00 0.00 0.00 179.25 178.49 1hna s PHE 177 N -3.70 2.54 0.51 0.00 0.08 -0.40 -4.94 117.98 112.07 1hna s PHE 177 Ca 0.01 -2.82 0.38 0.00 0.12 0.00 0.00 56.93 54.62 1hna s PHE 177 Cb 0.09 -2.15 2.00 0.00 -0.57 0.00 0.00 43.02 42.39 1hna s PHE 177 CO 0.53 -0.71 2.24 -1.00 -0.10 0.00 0.00 175.22 176.18 1hna h PRO 178 N 6.11 0.00 -0.08 0.24 0.13 -1.70 -1.88 132.00 134.81 1hna h PRO 178 Ca 0.07 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1hna h PRO 178 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1hna h PRO 178 CO 0.57 0.02 -0.03 -0.97 -0.23 0.00 0.00 178.00 177.36 1hna h ASN 179 N 0.00 -0.11 -0.18 1.44 -1.24 -1.92 -0.58 115.58 112.99 1hna h ASN 179 Ca -0.00 0.03 -0.19 0.00 0.71 0.00 0.00 56.30 56.84 1hna h ASN 179 Cb 0.15 0.06 0.01 0.00 0.73 0.00 0.00 38.32 39.27 1hna h ASN 179 CO 0.00 -0.04 -0.65 -0.07 -1.29 0.00 0.00 177.43 175.38 1hna h LEU 180 N -0.02 0.88 -0.53 0.34 3.38 -1.68 -2.75 115.31 114.94 1hna h LEU 180 Ca 0.04 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.42 1hna h LEU 180 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1hna h LEU 180 CO -0.10 1.33 0.35 0.50 0.09 0.00 0.00 178.44 180.62 1hna h LYS 181 N 0.47 0.69 -0.20 1.13 3.64 -1.36 -1.23 116.57 119.72 1hna h LYS 181 Ca -0.03 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1hna h LYS 181 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1hna h LYS 181 CO 0.14 0.46 -0.23 -0.44 -2.27 0.00 0.00 179.45 177.10 1hna h ASP 182 N 0.71 0.36 -0.20 4.20 3.32 -1.13 -1.61 116.42 122.07 1hna h ASP 182 Ca 0.20 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1hna h ASP 182 Cb -0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1hna h ASP 182 CO -0.05 0.60 0.10 0.15 -1.72 0.00 0.00 179.24 178.33 1hna h PHE 183 N 0.33 0.28 -0.50 4.55 3.57 -1.07 0.19 116.94 124.29 1hna h PHE 183 Ca 0.05 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1hna h PHE 183 Cb 0.59 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 1hna h PHE 183 CO 0.01 0.28 0.25 0.82 -2.23 0.00 0.00 178.31 177.45 1hna h ILE 184 N 0.20 0.96 -0.58 1.41 2.04 -0.85 -0.57 117.51 120.12 1hna h ILE 184 Ca 0.07 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.66 1hna h ILE 184 Cb 0.10 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1hna h ILE 184 CO -0.01 0.09 -0.02 0.28 0.00 0.00 0.00 178.15 178.49 1hna h SER 185 N 0.49 1.01 -0.11 1.72 0.02 -1.05 -2.01 113.55 113.63 1hna h SER 185 Ca 0.22 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1hna h SER 185 Cb 0.12 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1hna h SER 185 CO -0.15 1.08 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.39 1hna h ARG 186 N 0.94 0.46 0.01 3.45 2.43 -0.05 -1.94 114.38 119.69 1hna h ARG 186 Ca 0.16 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1hna h ARG 186 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1hna h ARG 186 CO 0.03 0.59 -0.01 0.35 -1.51 0.00 0.00 179.97 179.43 1hna h PHE 187 N 0.43 -0.01 0.00 2.20 3.57 -0.92 -3.15 116.94 119.05 1hna h PHE 187 Ca 0.08 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1hna h PHE 187 Cb 0.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1hna h PHE 187 CO 0.02 0.51 -0.02 0.93 -2.23 0.00 0.00 178.31 177.51 1hna h GLU 188 N -0.55 0.00 -0.01 1.11 5.08 -1.28 -1.68 114.58 117.25 1hna h GLU 188 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hna h GLU 188 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1hna h GLU 188 CO 0.00 0.02 -0.05 0.41 -1.00 0.00 0.00 179.01 178.39 1hna n GLY 189 N -0.95 -0.73 3.74 -3.84 0.00 -0.74 -3.56 105.19 99.12 1hna n GLY 189 Ca -0.02 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1hna n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hna s LEU 190 N -2.23 4.38 0.20 0.99 1.43 -0.63 -4.81 118.68 118.01 1hna s LEU 190 Ca 0.36 2.65 -0.24 0.00 -1.03 0.00 0.00 54.13 55.87 1hna s LEU 190 Cb 0.21 -3.62 0.09 0.00 0.03 0.00 0.00 46.19 42.90 1hna s LEU 190 CO 0.41 -0.72 1.55 -0.08 0.23 0.00 0.00 176.35 177.74 1hna h GLU 191 N 5.38 -0.01 0.00 1.70 4.81 -1.90 0.10 114.58 124.66 1hna h GLU 191 Ca -0.45 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1hna h GLU 191 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1hna h GLU 191 CO 0.80 -0.01 -0.09 0.87 -0.73 0.00 0.00 179.01 179.86 1hna h LYS 192 N -0.01 0.00 -0.02 1.92 1.57 -1.92 -2.67 116.57 115.44 1hna h LYS 192 Ca 0.26 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1hna h LYS 192 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1hna h LYS 192 CO -0.95 0.09 -0.54 0.82 -0.57 0.00 0.00 179.45 178.30 1hna h ILE 193 N 0.00 1.43 0.08 1.86 1.08 -1.23 -2.77 117.51 117.95 1hna h ILE 193 Ca -0.00 -2.01 -0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1hna h ILE 193 Cb 0.84 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1hna h ILE 193 CO 0.01 0.58 -0.04 0.28 -0.69 0.00 0.00 178.15 178.30 1hna h SER 194 N -0.11 -0.09 -0.39 1.72 0.02 -0.91 -0.71 113.55 113.08 1hna h SER 194 Ca -0.06 -0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1hna h SER 194 Cb 1.24 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.71 1hna h SER 194 CO 0.11 -0.04 -0.29 0.00 -1.14 0.00 0.00 176.83 175.47 1hna h ALA 195 N 0.79 -0.10 -0.52 3.77 0.00 -1.54 -0.47 119.26 121.19 1hna h ALA 195 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hna h ALA 195 Cb 0.10 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1hna h ALA 195 CO 0.02 -0.68 0.34 -0.92 0.00 0.00 0.00 179.25 178.01 1hna h TYR 196 N -0.22 0.63 0.00 0.00 3.20 -1.28 -0.46 116.97 118.85 1hna h TYR 196 Ca 0.18 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1hna h TYR 196 Cb 0.51 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1hna h TYR 196 CO -0.50 0.39 -0.03 0.52 -1.64 0.00 0.00 178.16 176.89 1hna h MET 197 N 0.68 0.00 0.06 1.82 2.86 -0.04 -2.33 114.93 117.97 1hna h MET 197 Ca 0.19 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.53 1hna h MET 197 Cb -0.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1hna h MET 197 CO -0.05 0.03 -1.69 0.87 1.06 0.00 0.00 176.91 177.13 1hna h LYS 198 N 0.00 0.12 -7.18 1.72 1.57 -0.47 -3.46 116.57 108.87 1hna h LYS 198 Ca -0.00 -0.21 -0.51 0.00 -1.87 0.00 0.00 60.65 58.06 1hna h LYS 198 Cb 0.31 0.08 0.21 0.00 0.08 0.00 0.00 32.23 32.90 1hna h LYS 198 CO 0.00 0.85 0.06 -1.13 -0.57 0.00 0.00 179.45 178.66 1hna n SER 199 N -3.27 -0.32 0.00 0.86 3.41 -0.24 -4.89 113.62 109.17 1hna n SER 199 Ca -0.19 0.31 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1hna n SER 199 Cb 1.04 -1.40 0.53 0.00 -0.26 0.00 0.00 64.21 64.12 1hna n SER 199 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1hna n SER 200 N -3.98 0.00 0.09 4.04 3.41 -1.26 -3.00 113.62 112.93 1hna n SER 200 Ca 0.10 0.23 -0.03 0.00 -0.26 0.00 0.00 58.87 58.91 1hna n SER 200 Cb 0.53 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1hna n SER 200 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1hna h ARG 201 N 0.00 0.00 0.00 4.33 -0.00 -1.90 -3.41 114.38 113.40 1hna h ARG 201 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1hna h ARG 201 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.27 1hna h ARG 201 CO 0.00 0.78 0.00 0.34 0.00 0.00 0.00 179.97 181.09 1hna n PHE 202 N -3.29 0.00 -1.53 3.04 7.35 -1.16 -4.41 117.46 117.45 1hna n PHE 202 Ca 0.01 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.31 1hna n PHE 202 Cb 0.85 -0.22 -0.06 0.00 0.35 0.00 0.00 39.48 40.40 1hna n PHE 202 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1hna n LEU 203 N -1.55 1.89 0.00 -2.13 7.94 -1.26 -4.86 117.00 117.02 1hna n LEU 203 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 1hna n LEU 203 Cb 0.00 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.55 1hna n LEU 203 CO 0.00 -1.25 0.00 -0.81 -1.11 0.00 0.00 177.39 174.22 1hna n PRO 204 N 8.80 0.00 -3.62 1.96 -0.04 -1.26 -4.99 135.00 135.84 1hna n PRO 204 Ca 0.44 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.60 1hna n PRO 204 Cb 0.39 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.70 1hna n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1hna s ARG 205 N 0.17 0.43 0.13 0.54 0.52 -1.26 -4.96 118.95 114.53 1hna s ARG 205 Ca 0.00 -0.80 -0.35 0.00 -0.52 0.00 0.00 55.73 54.07 1hna s ARG 205 Cb 0.00 -1.53 -0.16 0.00 0.52 0.00 0.00 34.95 33.78 1hna s ARG 205 CO 0.00 -1.01 1.32 -2.30 0.02 0.00 0.00 175.30 173.33 1hna n PRO 206 N 5.04 1.33 0.00 3.54 -0.02 -0.69 -0.15 135.00 144.05 1hna n PRO 206 Ca -0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1hna n PRO 206 Cb 0.42 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1hna n PRO 206 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1hna n VAL 207 N 2.30 0.00 -0.44 -1.45 0.31 -1.26 -3.49 118.33 114.30 1hna n VAL 207 Ca 0.17 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.35 1hna n VAL 207 Cb 0.23 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.28 1hna n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1hna n PHE 208 N 0.00 1.97 -1.09 3.52 3.72 -1.07 -3.30 117.46 121.22 1hna n PHE 208 Ca 0.00 -1.34 0.10 0.00 -0.05 0.00 0.00 57.45 56.16 1hna n PHE 208 Cb 0.00 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 1hna n PHE 208 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1hna n THR 209 N -0.54 0.00 0.29 4.37 5.66 0.49 -2.24 114.28 122.32 1hna n THR 209 Ca 0.38 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.52 1hna n THR 209 Cb 1.25 -0.26 0.86 0.00 -1.55 0.00 0.00 70.33 70.63 1hna n THR 209 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1hna h LYS 210 N 0.00 0.00 -0.53 1.09 -0.00 -1.77 -0.66 116.57 114.71 1hna h LYS 210 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.69 1hna h LYS 210 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.90 1hna h LYS 210 CO 0.01 0.00 0.35 1.98 -0.00 0.00 0.00 179.45 181.79 1hna h MET 211 N 0.00 0.60 -4.65 0.07 4.05 -1.92 -3.35 114.93 109.73 1hna h MET 211 Ca -0.00 -0.04 -0.65 0.00 -0.28 0.00 0.00 59.70 58.73 1hna h MET 211 Cb 0.01 -0.14 -0.38 0.00 -0.80 0.00 0.00 31.60 30.29 1hna h MET 211 CO 0.00 0.40 -0.78 0.00 0.23 0.00 0.00 176.91 176.76 1hna s ALA 212 N -5.55 2.44 0.53 0.39 0.00 -0.25 -4.73 121.76 114.59 1hna s ALA 212 Ca -0.09 -1.82 0.40 0.00 0.00 0.00 0.00 51.96 50.46 1hna s ALA 212 Cb 0.18 -1.63 1.39 0.00 0.00 0.00 0.00 23.12 23.06 1hna s ALA 212 CO 0.75 -1.32 1.37 1.33 0.00 0.00 0.00 175.76 177.89 1hna n VAL 213 N 4.47 0.00 -2.68 0.00 0.24 0.61 -4.00 118.33 116.97 1hna n VAL 213 Ca -0.09 1.32 -0.42 0.00 -2.04 0.00 0.00 64.34 63.10 1hna n VAL 213 Cb 0.43 -2.24 -0.03 0.00 -1.47 0.00 0.00 33.84 30.53 1hna n VAL 213 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1hna s PHE 214 N -4.58 2.68 -0.32 6.34 5.36 -1.13 -4.02 117.98 122.31 1hna s PHE 214 Ca -0.04 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.17 1hna s PHE 214 Cb 0.21 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1hna s PHE 214 CO 0.71 -1.49 0.33 0.41 -1.46 0.00 0.00 175.22 173.72 1hna n GLY 215 N 5.08 -0.82 0.83 13.12 0.00 -1.26 -2.59 105.19 119.56 1hna n GLY 215 Ca 0.06 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1hna n GLY 215 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hna n ASN 216 N -1.13 1.26 0.00 1.61 4.13 -1.25 -0.37 115.26 119.51 1hna n ASN 216 Ca 0.01 -1.08 0.00 0.00 1.68 0.00 0.00 54.58 55.19 1hna n ASN 216 Cb 0.43 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1hna n ASN 216 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83