#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1au2 n PRO 2 N 0.00 1.51 -2.38 0.00 -0.04 -1.26 -4.99 135.00 127.84 1au2 n PRO 2 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1au2 n PRO 2 Cb 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 1au2 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1au2 s ASP 3 N -1.00 6.47 -0.19 3.54 1.11 -1.26 -4.92 116.67 120.42 1au2 s ASP 3 Ca 0.00 0.97 -0.30 0.00 0.18 0.00 0.00 52.55 53.40 1au2 s ASP 3 Cb 0.00 -2.54 0.14 0.00 1.07 0.00 0.00 42.92 41.59 1au2 s ASP 3 CO 0.00 -1.30 1.06 -0.94 1.18 0.00 0.00 175.17 175.18 1au2 s SER 4 N 3.47 -0.32 -0.18 0.27 1.04 -1.26 -4.42 113.70 112.30 1au2 s SER 4 Ca 0.59 0.36 -0.14 0.00 0.48 0.00 0.00 55.95 57.25 1au2 s SER 4 Cb -0.15 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.31 1au2 s SER 4 CO 0.29 -0.28 0.47 0.54 0.98 0.00 0.00 173.24 175.24 1au2 s VAL 5 N -1.01 -0.01 -0.24 5.02 0.11 -0.61 -4.95 120.40 118.70 1au2 s VAL 5 Ca 0.00 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1au2 s VAL 5 Cb -0.01 -0.67 0.06 0.00 -1.53 0.00 0.00 36.38 34.24 1au2 s VAL 5 CO -0.01 0.01 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.13 1au2 s ASP 6 N 0.80 3.78 0.00 3.54 2.15 -1.26 0.02 116.67 125.70 1au2 s ASP 6 Ca -0.04 -1.20 0.25 0.00 0.43 0.00 0.00 52.55 51.99 1au2 s ASP 6 Cb -0.05 -1.10 1.23 0.00 -0.30 0.00 0.00 42.92 42.69 1au2 s ASP 6 CO -0.06 -0.26 1.84 -1.22 -0.17 0.00 0.00 175.17 175.30 1au2 n TYR 7 N 4.71 0.00 -0.01 -5.34 4.01 -0.83 -3.50 117.16 116.21 1au2 n TYR 7 Ca -0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 1au2 n TYR 7 Cb 0.44 -0.35 0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1au2 n TYR 7 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1au2 h ARG 8 N 0.00 0.58 -0.18 -0.72 3.08 -1.95 -2.10 114.38 113.09 1au2 h ARG 8 Ca 0.00 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1au2 h ARG 8 Cb 0.29 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1au2 h ARG 8 CO 0.00 0.95 0.02 0.87 -1.07 0.00 0.00 179.97 180.74 1au2 h LYS 9 N 0.46 0.31 -0.38 0.04 1.57 -1.98 -3.16 116.57 113.42 1au2 h LYS 9 Ca 0.02 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1au2 h LYS 9 Cb 1.05 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.26 1au2 h LYS 9 CO 0.10 0.49 -0.01 0.87 -0.57 0.00 0.00 179.45 180.33 1au2 h LYS 10 N 0.09 0.09 0.00 3.15 1.79 -1.63 -3.46 116.57 116.59 1au2 h LYS 10 Ca 0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1au2 h LYS 10 Cb 0.34 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1au2 h LYS 10 CO 0.01 0.06 0.00 0.41 -1.08 0.00 0.00 179.45 178.84 1au2 n GLY 11 N -1.27 0.96 0.25 3.86 0.00 -0.82 -5.01 105.19 103.17 1au2 n GLY 11 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1au2 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1au2 n TYR 12 N 0.00 0.09 -5.14 1.61 4.02 -1.02 -4.72 117.16 112.00 1au2 n TYR 12 Ca 0.00 -0.04 -0.30 0.00 -0.01 0.00 0.00 57.90 57.54 1au2 n TYR 12 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.16 1au2 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1au2 s VAL 13 N -1.91 1.89 0.24 -0.72 1.01 -1.25 -3.79 120.40 115.86 1au2 s VAL 13 Ca 0.31 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 1au2 s VAL 13 Cb 0.15 -1.61 -0.07 0.00 0.00 0.00 0.00 36.38 34.86 1au2 s VAL 13 CO 0.25 0.53 0.54 0.42 0.00 0.00 0.00 175.10 176.84 1au2 s THR 14 N 0.01 4.96 0.55 3.92 -4.23 -1.26 -4.99 115.64 114.60 1au2 s THR 14 Ca -0.07 0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.61 1au2 s THR 14 Cb -0.14 -3.64 -0.08 0.00 1.34 0.00 0.00 72.50 69.97 1au2 s THR 14 CO 0.04 -0.13 0.69 -0.81 -0.54 0.00 0.00 174.62 173.88 1au2 n PRO 15 N -0.32 0.69 -1.73 3.99 -0.04 -1.26 -4.88 135.00 131.46 1au2 n PRO 15 Ca -0.00 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.33 1au2 n PRO 15 Cb 0.53 -1.84 0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1au2 n PRO 15 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1au2 n VAL 16 N -1.53 3.11 -4.45 0.52 0.31 -1.26 -5.03 118.33 110.00 1au2 n VAL 16 Ca 0.12 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.73 1au2 n VAL 16 Cb 0.46 -1.67 -0.11 0.00 -0.91 0.00 0.00 33.84 31.61 1au2 n VAL 16 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1au2 s LYS 17 N -2.54 1.65 -0.10 5.55 -0.14 -1.26 -4.67 119.74 118.24 1au2 s LYS 17 Ca 0.65 -1.91 0.04 0.00 -1.36 0.00 0.00 55.97 53.39 1au2 s LYS 17 Cb -0.45 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.80 1au2 s LYS 17 CO 0.54 -0.17 -0.23 1.21 -0.76 0.00 0.00 175.35 175.94 1au2 s ASN 18 N -3.49 3.02 0.13 2.83 3.84 -1.23 -0.41 114.94 119.64 1au2 s ASN 18 Ca 0.36 -0.55 -0.05 0.00 0.21 0.00 0.00 52.86 52.83 1au2 s ASN 18 Cb 0.09 -1.38 -0.08 0.00 -0.55 0.00 0.00 41.25 39.32 1au2 s ASN 18 CO 0.15 0.15 1.32 0.06 -2.79 0.00 0.00 177.10 175.99 1au2 h GLN 19 N 6.76 0.46 0.00 0.43 3.07 -1.28 -3.47 115.11 121.09 1au2 h GLN 19 Ca -0.20 -0.46 0.00 0.00 0.09 0.00 0.00 58.65 58.07 1au2 h GLN 19 Cb 1.23 0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.92 1au2 h GLN 19 CO 0.47 1.11 0.00 0.41 0.09 0.00 0.00 178.83 180.91 1au2 n GLY 20 N 0.87 0.61 2.76 0.06 0.00 -1.26 -4.21 105.19 104.02 1au2 n GLY 20 Ca -0.07 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1au2 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1au2 n GLN 21 N 6.88 3.96 -3.72 1.61 1.13 -1.26 -4.92 117.38 121.05 1au2 n GLN 21 Ca 0.00 -4.22 -0.12 0.00 -1.94 0.00 0.00 57.00 50.72 1au2 n GLN 21 Cb 0.00 -2.35 -0.12 0.00 0.11 0.00 0.00 30.24 27.89 1au2 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1au2 n GLY 23 N 3.86 4.62 1.67 0.00 0.00 0.07 -4.46 105.19 110.96 1au2 n GLY 23 Ca -0.21 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 1au2 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1au2 n SER 24 N 2.92 3.32 0.30 1.61 3.41 -1.26 -3.64 113.62 120.27 1au2 n SER 24 Ca 0.72 -3.61 0.17 0.00 -0.26 0.00 0.00 58.87 55.90 1au2 n SER 24 Cb 0.24 -0.73 0.93 0.00 -0.26 0.00 0.00 64.21 64.39 1au2 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1au2 h TRP 26 N 0.00 0.79 -0.02 0.00 5.08 -1.82 -1.91 115.95 118.08 1au2 h TRP 26 Ca -0.00 -0.44 -0.11 0.00 1.08 0.00 0.00 58.89 59.42 1au2 h TRP 26 Cb 0.18 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.24 1au2 h TRP 26 CO 0.00 1.27 -0.49 0.00 -1.28 0.00 0.00 178.44 177.95 1au2 h ALA 27 N 0.58 1.16 -0.05 0.11 0.00 -1.63 -2.40 119.26 117.03 1au2 h ALA 27 Ca -0.11 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1au2 h ALA 27 Cb 1.66 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1au2 h ALA 27 CO 0.19 0.62 -0.93 0.74 0.00 0.00 0.00 179.25 179.86 1au2 h PHE 28 N 0.04 0.97 -0.38 0.00 -1.00 -1.39 -2.78 116.94 112.39 1au2 h PHE 28 Ca -0.00 -0.49 -0.13 0.00 2.81 0.00 0.00 57.97 60.16 1au2 h PHE 28 Cb 0.87 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 1au2 h PHE 28 CO 0.00 1.32 -0.29 1.03 -1.61 0.00 0.00 178.31 178.76 1au2 h SER 29 N 0.42 0.86 -0.27 2.17 0.87 -1.08 -2.77 113.55 113.74 1au2 h SER 29 Ca -0.09 -0.34 -0.10 0.00 -1.23 0.00 0.00 61.79 60.02 1au2 h SER 29 Cb 1.57 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1au2 h SER 29 CO 0.18 1.09 -0.22 0.28 -0.53 0.00 0.00 176.83 177.63 1au2 h SER 30 N 0.70 0.66 -0.09 6.23 0.02 -1.54 -2.09 113.55 117.44 1au2 h SER 30 Ca 0.08 -0.45 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1au2 h SER 30 Cb 0.84 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1au2 h SER 30 CO 0.07 0.98 0.07 0.58 -1.14 0.00 0.00 176.83 177.38 1au2 h VAL 31 N 0.36 0.94 -0.04 2.27 2.07 -1.46 -1.83 116.25 118.56 1au2 h VAL 31 Ca 0.05 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.42 1au2 h VAL 31 Cb 0.77 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1au2 h VAL 31 CO 0.06 0.00 -0.66 1.23 0.02 0.00 0.00 177.57 178.22 1au2 h GLY 32 N 0.00 0.17 0.74 2.17 0.00 -1.08 -2.08 103.07 103.00 1au2 h GLY 32 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1au2 h GLY 32 CO -0.00 0.21 -0.21 0.00 0.00 0.00 0.00 176.54 176.54 1au2 h ALA 33 N 1.21 0.21 -0.96 3.60 0.00 -1.29 -2.03 119.26 120.00 1au2 h ALA 33 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.63 1au2 h ALA 33 Cb 1.18 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1au2 h ALA 33 CO 0.10 0.15 0.60 -0.07 0.00 0.00 0.00 179.25 180.03 1au2 h LEU 34 N -0.02 0.91 -0.22 0.00 3.38 -1.27 -1.87 115.31 116.22 1au2 h LEU 34 Ca 0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1au2 h LEU 34 Cb 0.77 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1au2 h LEU 34 CO 0.05 0.53 -0.31 -0.33 0.09 0.00 0.00 178.44 178.47 1au2 h GLU 35 N 1.02 0.59 -0.58 1.13 5.08 -1.29 -1.95 114.58 118.57 1au2 h GLU 35 Ca 0.45 -0.35 0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1au2 h GLU 35 Cb 0.34 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 1au2 h GLU 35 CO -0.23 0.95 0.10 0.78 -1.00 0.00 0.00 179.01 179.62 1au2 h GLY 36 N 0.28 0.72 0.69 -3.84 0.00 -0.64 -1.00 103.07 99.27 1au2 h GLY 36 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1au2 h GLY 36 CO 0.07 -0.12 -0.24 1.46 0.00 0.00 0.00 176.54 177.71 1au2 h GLN 37 N 0.23 -0.64 -1.61 4.80 1.08 -1.36 -2.16 115.11 115.45 1au2 h GLN 37 Ca 0.30 0.04 0.47 0.00 -1.45 0.00 0.00 58.65 58.02 1au2 h GLN 37 Cb 0.45 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.96 1au2 h GLN 37 CO -0.41 -0.33 1.16 1.25 -0.95 0.00 0.00 178.83 179.54 1au2 h LEU 38 N -0.98 0.01 0.12 1.46 5.85 -0.65 0.51 115.31 121.62 1au2 h LEU 38 Ca -0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1au2 h LEU 38 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1au2 h LEU 38 CO 0.11 -0.01 -0.06 0.50 -0.34 0.00 0.00 178.44 178.65 1au2 h LYS 39 N 0.01 -0.15 -1.05 1.25 1.63 -1.05 -3.10 116.57 114.11 1au2 h LYS 39 Ca 0.77 0.01 0.35 0.00 -0.85 0.00 0.00 60.65 60.93 1au2 h LYS 39 Cb 3.08 0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 34.59 1au2 h LYS 39 CO -0.03 -0.10 0.61 -0.22 -3.45 0.00 0.00 179.45 176.27 1au2 h LYS 40 N -0.71 0.25 -1.08 1.90 3.64 0.33 0.47 116.57 121.36 1au2 h LYS 40 Ca -0.02 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.73 1au2 h LYS 40 Cb 0.12 -0.06 -0.36 0.00 -0.41 0.00 0.00 32.23 31.52 1au2 h LYS 40 CO 0.03 0.16 -0.02 1.63 -2.27 0.00 0.00 179.45 178.98 1au2 n LYS 41 N -5.00 3.18 0.00 1.90 5.02 0.14 -4.56 118.16 118.84 1au2 n LYS 41 Ca 0.33 -3.85 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1au2 n LYS 41 Cb 1.08 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1au2 n LYS 41 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1au2 n THR 42 N -0.73 0.00 0.00 -0.18 -1.04 -0.70 -4.89 114.28 106.74 1au2 n THR 42 Ca 0.51 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 1au2 n THR 42 Cb 0.74 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.25 1au2 n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1au2 n GLY 43 N -1.04 3.31 3.32 3.41 0.00 0.16 -5.04 105.19 109.31 1au2 n GLY 43 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1au2 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1au2 s LYS 44 N -0.84 3.32 0.30 1.61 1.02 -1.26 -4.96 119.74 118.94 1au2 s LYS 44 Ca 0.00 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.18 1au2 s LYS 44 Cb 0.00 -2.70 -0.08 0.00 -0.52 0.00 0.00 37.83 34.53 1au2 s LYS 44 CO 0.00 0.07 0.67 -1.17 -0.92 0.00 0.00 175.35 173.99 1au2 s LEU 45 N 0.72 4.06 -0.05 3.17 2.96 -1.26 -3.79 118.68 124.50 1au2 s LEU 45 Ca -0.06 1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 54.74 1au2 s LEU 45 Cb -0.15 -3.90 0.04 0.00 0.50 0.00 0.00 46.19 42.68 1au2 s LEU 45 CO 0.02 -0.19 0.47 -0.22 -1.32 0.00 0.00 176.35 175.10 1au2 s LEU 46 N -3.11 0.21 -0.13 -0.68 2.96 -1.26 -5.03 118.68 111.64 1au2 s LEU 46 Ca 0.51 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.55 1au2 s LEU 46 Cb -0.11 1.78 -0.02 0.00 0.50 0.00 0.00 46.19 48.35 1au2 s LEU 46 CO 0.22 -0.48 1.30 0.20 -1.32 0.00 0.00 176.35 176.28 1au2 s ASN 47 N -1.10 6.92 0.35 3.68 -0.87 -1.26 -4.85 114.94 117.82 1au2 s ASN 47 Ca -0.11 1.79 0.03 0.00 -1.57 0.00 0.00 52.86 52.99 1au2 s ASN 47 Cb -0.03 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 1au2 s ASN 47 CO 0.06 -0.75 0.52 -0.76 -2.57 0.00 0.00 177.10 173.60 1au2 s LEU 48 N 3.34 3.97 -0.53 0.60 1.43 -1.26 -0.77 118.68 125.46 1au2 s LEU 48 Ca 0.57 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 1au2 s LEU 48 Cb -0.24 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 42.98 1au2 s LEU 48 CO 0.18 -0.39 0.87 -0.55 0.23 0.00 0.00 176.35 176.69 1au2 s SER 49 N -4.11 6.33 0.19 2.29 0.15 -0.06 -4.27 113.70 114.23 1au2 s SER 49 Ca 0.42 -0.41 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 1au2 s SER 49 Cb -0.10 -2.41 0.09 0.00 -1.71 0.00 0.00 66.02 61.90 1au2 s SER 49 CO 0.34 -1.13 1.49 -0.65 1.20 0.00 0.00 173.24 174.49 1au2 h PRO 50 N 9.21 0.56 -0.91 5.44 0.11 -1.88 -3.13 132.00 141.40 1au2 h PRO 50 Ca -0.26 -0.36 0.03 0.00 0.11 0.00 0.00 66.00 65.52 1au2 h PRO 50 Cb 1.08 0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1au2 h PRO 50 CO 1.05 0.97 0.59 0.37 -0.21 0.00 0.00 178.00 180.78 1au2 h GLN 51 N 0.42 1.12 -0.28 1.05 5.75 -1.86 -1.24 115.11 120.07 1au2 h GLN 51 Ca 0.00 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1au2 h GLN 51 Cb 1.12 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 29.37 1au2 h GLN 51 CO 0.11 0.74 -0.04 -0.97 -2.65 0.00 0.00 178.83 176.02 1au2 h ASN 52 N 1.15 -0.19 -0.30 -0.69 -0.00 -1.84 -1.02 115.58 112.69 1au2 h ASN 52 Ca 0.36 0.08 -0.11 0.00 -0.00 0.00 0.00 56.30 56.62 1au2 h ASN 52 Cb 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 1au2 h ASN 52 CO -0.12 -0.06 -0.22 -0.07 -0.00 0.00 0.00 177.43 176.96 1au2 h LEU 53 N 0.04 0.79 -0.45 0.34 3.38 -1.47 -1.67 115.31 116.26 1au2 h LEU 53 Ca 0.14 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1au2 h LEU 53 Cb 0.20 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1au2 h LEU 53 CO -0.26 0.98 0.18 0.58 0.09 0.00 0.00 178.44 180.01 1au2 h VAL 54 N 0.68 0.89 0.08 1.22 2.07 -0.70 -2.55 116.25 117.94 1au2 h VAL 54 Ca 0.10 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1au2 h VAL 54 Cb 0.72 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1au2 h VAL 54 CO 0.06 0.07 -0.49 0.44 0.02 0.00 0.00 177.57 177.66 1au2 h ASP 55 N 0.37 0.30 1.47 0.57 3.32 -1.02 -3.39 116.42 118.03 1au2 h ASP 55 Ca 0.21 -0.95 -0.00 0.00 0.02 0.00 0.00 57.03 56.30 1au2 h ASP 55 Cb 0.18 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1au2 h ASP 55 CO -0.19 1.23 -0.53 0.00 -1.72 0.00 0.00 179.24 178.02 1au2 s VAL 57 N -3.29 3.98 0.43 0.00 1.01 -0.96 -4.74 120.40 116.83 1au2 s VAL 57 Ca 0.03 -1.26 0.31 0.00 0.00 0.00 0.00 61.98 61.05 1au2 s VAL 57 Cb 0.07 -5.07 0.33 0.00 0.00 0.00 0.00 36.38 31.72 1au2 s VAL 57 CO 0.73 -1.92 2.12 0.77 0.00 0.00 0.00 175.10 176.81 1au2 h SER 58 N 8.86 0.00 0.16 3.32 4.64 -1.89 -1.63 113.55 127.02 1au2 h SER 58 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1au2 h SER 58 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1au2 h SER 58 CO 1.43 0.08 0.00 -0.62 -0.87 0.00 0.00 176.83 176.85 1au2 n GLU 59 N -3.51 0.00 -4.40 4.77 4.71 -1.26 -4.69 120.64 116.26 1au2 n GLU 59 Ca -0.02 0.41 -0.29 0.00 -0.01 0.00 0.00 57.16 57.25 1au2 n GLU 59 Cb 0.21 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.08 1au2 n GLU 59 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1au2 s ASN 60 N -2.99 4.29 -0.02 1.62 0.02 -0.61 -4.95 114.94 112.30 1au2 s ASN 60 Ca 0.02 -1.41 0.09 0.00 -1.02 0.00 0.00 52.86 50.54 1au2 s ASN 60 Cb 0.03 0.21 0.30 0.00 0.02 0.00 0.00 41.25 41.81 1au2 s ASN 60 CO 0.09 -0.82 1.20 -0.67 0.02 0.00 0.00 177.10 176.92 1au2 n ASP 61 N -1.36 1.97 0.00 -1.22 -0.08 0.82 -4.99 116.55 111.69 1au2 n ASP 61 Ca -0.10 -2.08 0.00 0.00 -1.51 0.00 0.00 54.79 51.10 1au2 n ASP 61 Cb 0.66 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.83 1au2 n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1au2 n GLY 62 N 0.87 1.09 0.00 0.27 0.00 -1.23 -1.66 105.19 104.53 1au2 n GLY 62 Ca 0.11 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.42 1au2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1au2 n GLY 64 N -0.43 -1.32 0.00 0.00 0.00 -0.66 -0.75 105.19 102.03 1au2 n GLY 64 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1au2 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1au2 n GLY 65 N 0.81 2.02 0.00 -0.02 0.00 -1.08 -4.87 105.19 102.04 1au2 n GLY 65 Ca 0.05 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1au2 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1au2 n GLY 66 N -1.59 1.89 3.93 -0.02 0.00 -1.26 -0.13 105.19 108.01 1au2 n GLY 66 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1au2 n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au2 s TYR 67 N -2.00 3.27 -0.05 1.61 2.02 -1.26 -4.76 117.35 116.17 1au2 s TYR 67 Ca 0.00 0.45 -0.09 0.00 -0.37 0.00 0.00 57.07 57.06 1au2 s TYR 67 Cb 0.00 -2.48 -0.30 0.00 -0.40 0.00 0.00 41.96 38.78 1au2 s TYR 67 CO 0.00 -0.54 0.64 0.52 -1.57 0.00 0.00 175.55 174.61 1au2 h MET 68 N 0.15 0.36 -0.63 -0.62 2.86 -1.96 -3.25 114.93 111.84 1au2 h MET 68 Ca -0.46 -0.61 0.11 0.00 -2.06 0.00 0.00 59.70 56.68 1au2 h MET 68 Cb 1.25 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 33.10 1au2 h MET 68 CO 0.59 1.27 0.42 1.79 1.06 0.00 0.00 176.91 182.04 1au2 h THR 69 N 0.10 0.87 0.00 2.22 1.35 -1.97 0.32 112.91 115.80 1au2 h THR 69 Ca -0.35 -0.13 -0.09 0.00 -0.55 0.00 0.00 66.41 65.29 1au2 h THR 69 Cb 2.08 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1au2 h THR 69 CO 0.16 0.07 -0.44 0.78 -0.25 0.00 0.00 175.52 175.85 1au2 h ASN 70 N 0.39 0.00 -0.27 5.36 -0.26 -1.99 -2.07 115.58 116.74 1au2 h ASN 70 Ca 0.29 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.87 1au2 h ASN 70 Cb 0.63 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.88 1au2 h ASN 70 CO -0.08 0.44 -0.43 0.00 -1.06 0.00 0.00 177.43 176.29 1au2 h ALA 71 N 1.56 0.61 0.16 -0.83 0.00 -0.41 -3.12 119.26 117.23 1au2 h ALA 71 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1au2 h ALA 71 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1au2 h ALA 71 CO 0.06 0.68 -0.07 0.74 0.00 0.00 0.00 179.25 180.65 1au2 h PHE 72 N 0.67 -0.19 -0.99 0.00 0.04 -1.11 -2.91 116.94 112.44 1au2 h PHE 72 Ca 0.05 -0.00 0.33 0.00 2.80 0.00 0.00 57.97 61.15 1au2 h PHE 72 Cb 1.01 0.06 -0.15 0.00 2.20 0.00 0.00 35.95 39.07 1au2 h PHE 72 CO 0.06 0.20 0.54 1.96 -0.60 0.00 0.00 178.31 180.47 1au2 h GLN 73 N -0.65 0.25 -0.40 1.51 4.20 -1.44 -0.23 115.11 118.33 1au2 h GLN 73 Ca -0.02 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1au2 h GLN 73 Cb 0.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1au2 h GLN 73 CO 0.04 0.16 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.32 1au2 h TYR 74 N 0.25 0.90 -0.92 2.96 3.20 -1.45 0.37 116.97 122.28 1au2 h TYR 74 Ca 0.74 -0.20 0.02 0.00 3.14 0.00 0.00 58.73 62.44 1au2 h TYR 74 Cb 1.74 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.75 1au2 h TYR 74 CO -0.03 0.93 0.60 0.28 -1.64 0.00 0.00 178.16 178.30 1au2 h VAL 75 N 0.61 1.20 0.00 1.81 2.07 -0.88 0.90 116.25 121.95 1au2 h VAL 75 Ca 0.10 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1au2 h VAL 75 Cb 0.65 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1au2 h VAL 75 CO 0.04 0.22 0.00 1.67 0.02 0.00 0.00 177.57 179.52 1au2 n GLN 76 N -4.47 0.00 0.14 1.57 7.27 -0.75 -0.08 117.38 121.06 1au2 n GLN 76 Ca 0.11 0.40 0.04 0.00 0.07 0.00 0.00 57.00 57.62 1au2 n GLN 76 Cb 0.05 -1.15 0.23 0.00 2.41 0.00 0.00 30.24 31.77 1au2 n GLN 76 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1au2 n LYS 77 N -1.69 0.06 -0.10 3.69 4.81 0.11 0.13 118.16 125.17 1au2 n LYS 77 Ca 0.00 0.50 -0.16 0.00 -0.87 0.00 0.00 58.31 57.78 1au2 n LYS 77 Cb 0.00 -2.09 -0.13 0.00 0.02 0.00 0.00 35.03 32.83 1au2 n LYS 77 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1au2 n ASN 78 N -1.86 1.42 -0.74 3.14 5.15 0.31 -5.04 115.26 117.63 1au2 n ASN 78 Ca -0.01 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1au2 n ASN 78 Cb 0.41 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1au2 n ASN 78 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1au2 n ARG 79 N -3.14 0.00 0.00 1.20 1.74 0.34 -5.04 116.66 111.76 1au2 n ARG 79 Ca -0.39 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1au2 n ARG 79 Cb 1.04 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1au2 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1au2 n GLY 80 N -0.74 4.36 3.09 -0.13 0.00 -0.87 -4.97 105.19 105.93 1au2 n GLY 80 Ca 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1au2 n GLY 80 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1au2 s ILE 81 N -2.07 0.08 0.75 -0.61 2.07 -0.96 -4.80 121.20 115.67 1au2 s ILE 81 Ca 0.00 -0.70 -0.12 0.00 -1.41 0.00 0.00 60.65 58.42 1au2 s ILE 81 Cb 0.00 -0.41 0.04 0.00 0.13 0.00 0.00 42.46 42.23 1au2 s ILE 81 CO 0.00 -0.39 1.12 -1.81 -1.91 0.00 0.00 174.94 171.95 1au2 s ASP 82 N -1.36 4.98 0.40 4.50 1.01 -1.26 -0.02 116.67 124.92 1au2 s ASP 82 Ca -0.15 1.06 0.02 0.00 0.71 0.00 0.00 52.55 54.20 1au2 s ASP 82 Cb -0.08 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 1au2 s ASP 82 CO 0.01 -1.63 0.60 -0.94 0.21 0.00 0.00 175.17 173.42 1au2 s SER 83 N -4.33 5.92 0.01 0.27 1.04 -1.18 -0.88 113.70 114.55 1au2 s SER 83 Ca 0.60 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 1au2 s SER 83 Cb -0.12 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.48 1au2 s SER 83 CO 0.52 -0.58 1.08 -0.08 0.98 0.00 0.00 173.24 175.15 1au2 h GLU 84 N 0.59 -0.13 -0.99 4.02 4.57 -1.13 0.99 114.58 122.49 1au2 h GLU 84 Ca -0.46 0.01 0.39 0.00 -1.18 0.00 0.00 59.36 58.11 1au2 h GLU 84 Cb 1.25 0.03 -0.18 0.00 -0.16 0.00 0.00 28.75 29.69 1au2 h GLU 84 CO 0.56 -0.09 0.43 -3.47 -1.18 0.00 0.00 179.01 175.26 1au2 n ASP 85 N -2.72 0.25 -0.03 1.04 2.03 -1.26 0.88 116.55 116.74 1au2 n ASP 85 Ca -0.02 1.65 -0.13 0.00 0.52 0.00 0.00 54.79 56.82 1au2 n ASP 85 Cb 0.06 -0.76 -0.08 0.00 -0.72 0.00 0.00 41.12 39.62 1au2 n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1au2 h ALA 86 N 1.98 0.12 -3.24 -1.67 0.00 -1.82 -3.37 119.26 111.27 1au2 h ALA 86 Ca 0.79 -0.25 -0.63 0.00 0.00 0.00 0.00 54.91 54.82 1au2 h ALA 86 Cb 2.02 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 19.37 1au2 h ALA 86 CO -0.80 -0.11 -0.65 -0.47 0.00 0.00 0.00 179.25 177.22 1au2 s TYR 87 N -4.52 2.91 0.73 0.00 6.14 0.25 -4.96 117.35 117.91 1au2 s TYR 87 Ca -0.15 -3.01 -0.16 0.00 0.64 0.00 0.00 57.07 54.40 1au2 s TYR 87 Cb 0.04 -2.56 0.02 0.00 0.42 0.00 0.00 41.96 39.88 1au2 s TYR 87 CO 0.71 -0.73 1.07 -2.30 0.64 0.00 0.00 175.55 174.94 1au2 n PRO 88 N 3.07 0.52 -3.15 4.97 -0.02 -0.82 -4.49 135.00 135.08 1au2 n PRO 88 Ca 0.08 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.37 1au2 n PRO 88 Cb 0.33 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1au2 n PRO 88 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1au2 s TYR 89 N -1.83 3.07 -2.75 6.00 5.04 -1.26 -4.77 117.35 120.85 1au2 s TYR 89 Ca 0.75 -0.24 0.24 0.00 -2.44 0.00 0.00 57.07 55.38 1au2 s TYR 89 Cb -0.34 -3.35 0.33 0.00 0.35 0.00 0.00 41.96 38.95 1au2 s TYR 89 CO 0.49 -0.91 1.34 1.33 -1.34 0.00 0.00 175.55 176.47 1au2 n VAL 90 N 5.74 0.23 -3.87 3.14 0.24 -1.26 -5.01 118.33 117.54 1au2 n VAL 90 Ca -0.04 -0.60 -0.30 0.00 -2.04 0.00 0.00 64.34 61.36 1au2 n VAL 90 Cb 0.47 1.22 0.01 0.00 -1.47 0.00 0.00 33.84 34.07 1au2 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1au2 n GLY 91 N 1.41 -0.58 3.59 7.63 0.00 -1.26 -4.97 105.19 111.02 1au2 n GLY 91 Ca 0.17 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 1au2 n GLY 91 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1au2 s GLN 92 N -6.44 0.51 0.44 1.61 0.74 -1.26 -4.77 119.66 110.49 1au2 s GLN 92 Ca 0.23 0.12 -0.22 0.00 0.05 0.00 0.00 55.36 55.55 1au2 s GLN 92 Cb -0.09 0.24 -0.09 0.00 1.10 0.00 0.00 33.01 34.17 1au2 s GLN 92 CO 0.89 -0.16 1.03 -1.21 -0.55 0.00 0.00 175.29 175.29 1au2 s GLU 93 N -1.11 4.02 0.00 1.67 2.02 -1.26 -4.96 118.70 119.09 1au2 s GLU 93 Ca -0.00 1.38 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1au2 s GLU 93 Cb -0.01 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1au2 s GLU 93 CO 0.00 -0.24 0.00 -0.85 0.02 0.00 0.00 175.26 174.19 1au2 n GLU 94 N -0.54 0.00 -2.48 1.61 0.28 -1.26 -5.12 120.64 113.13 1au2 n GLU 94 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.69 1au2 n GLU 94 Cb 0.52 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.35 1au2 n GLU 94 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1au2 s SER 95 N 0.42 6.83 -0.17 -1.84 0.01 -1.26 -4.79 113.70 112.91 1au2 s SER 95 Ca 0.00 2.15 -0.29 0.00 1.31 0.00 0.00 55.95 59.12 1au2 s SER 95 Cb 0.00 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 1au2 s SER 95 CO 0.00 -0.44 1.13 0.00 0.41 0.00 0.00 173.24 174.34 1au2 n MET 97 N 6.09 1.90 -1.80 0.00 3.85 -1.26 -5.00 117.12 120.91 1au2 n MET 97 Ca 0.12 -4.02 -0.42 0.00 -1.00 0.00 0.00 57.70 52.38 1au2 n MET 97 Cb 0.46 -1.89 -0.03 0.00 -1.05 0.00 0.00 33.22 30.71 1au2 n MET 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1au2 s TYR 98 N -2.64 1.53 -0.66 3.17 5.04 -1.26 -4.97 117.35 117.56 1au2 s TYR 98 Ca 0.42 -0.05 -0.17 0.00 -2.44 0.00 0.00 57.07 54.83 1au2 s TYR 98 Cb 0.28 -4.09 0.13 0.00 0.35 0.00 0.00 41.96 38.63 1au2 s TYR 98 CO -0.10 -4.64 0.72 1.21 -1.34 0.00 0.00 175.55 171.40 1au2 s ASN 99 N 4.68 6.33 0.58 4.32 3.84 -1.26 -4.92 114.94 128.51 1au2 s ASN 99 Ca 0.84 -1.78 0.28 0.00 0.21 0.00 0.00 52.86 52.41 1au2 s ASN 99 Cb -0.37 -2.28 1.56 0.00 -0.55 0.00 0.00 41.25 39.61 1au2 s ASN 99 CO 0.36 -0.97 2.04 1.55 -2.79 0.00 0.00 177.10 177.29 1au2 h PRO 100 N 8.85 0.00 -0.24 0.43 0.13 -2.00 -0.84 132.00 138.34 1au2 h PRO 100 Ca -0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1au2 h PRO 100 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1au2 h PRO 100 CO 1.03 0.00 0.13 1.15 -0.23 0.00 0.00 178.00 180.08 1au2 h THR 101 N 0.00 1.08 -0.48 1.56 2.02 -2.02 -1.33 112.91 113.73 1au2 h THR 101 Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1au2 h THR 101 Cb 0.71 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1au2 h THR 101 CO -0.00 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1au2 n GLY 102 N -1.43 3.31 3.67 2.16 0.00 -0.32 -4.98 105.19 107.60 1au2 n GLY 102 Ca 0.01 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.62 1au2 n GLY 102 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1au2 n LYS 103 N 0.30 2.56 -0.00 1.61 4.81 -0.50 -3.12 118.16 123.81 1au2 n LYS 103 Ca 0.26 0.94 0.06 0.00 -0.87 0.00 0.00 58.31 58.70 1au2 n LYS 103 Cb 1.11 -2.83 -0.08 0.00 0.02 0.00 0.00 35.03 33.25 1au2 n LYS 103 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1au2 n ALA 104 N 6.56 3.19 -3.68 3.14 0.00 0.97 -4.93 120.51 125.76 1au2 n ALA 104 Ca 0.20 -0.34 0.01 0.00 0.00 0.00 0.00 53.44 53.32 1au2 n ALA 104 Cb 0.35 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.37 1au2 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1au2 n ALA 105 N -1.55 -1.67 -3.58 0.00 0.00 -1.19 -5.00 120.51 107.51 1au2 n ALA 105 Ca 0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.40 1au2 n ALA 105 Cb 0.25 0.74 -0.02 0.00 0.00 0.00 0.00 19.45 20.43 1au2 n ALA 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1au2 s LYS 106 N -2.07 0.56 0.17 0.00 -2.85 -1.26 -2.26 119.74 112.03 1au2 s LYS 106 Ca 0.15 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 1au2 s LYS 106 Cb -0.04 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1au2 s LYS 106 CO 0.08 -0.25 0.06 0.00 0.10 0.00 0.00 175.35 175.34 1au2 n ARG 108 N -0.22 2.62 0.00 0.00 1.85 -0.22 -4.24 116.66 116.45 1au2 n ARG 108 Ca -0.04 -3.74 0.00 0.00 -1.00 0.00 0.00 57.85 53.07 1au2 n ARG 108 Cb 0.64 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1au2 n ARG 108 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1au2 n GLY 109 N -0.87 0.76 3.83 2.89 0.00 -1.26 -4.87 105.19 105.66 1au2 n GLY 109 Ca 0.32 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 1au2 n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1au2 s TYR 110 N -1.54 0.09 -0.24 1.61 1.13 -1.26 -2.08 117.35 115.05 1au2 s TYR 110 Ca 0.00 -0.69 -0.08 0.00 -1.41 0.00 0.00 57.07 54.90 1au2 s TYR 110 Cb 0.00 0.80 0.11 0.00 -1.10 0.00 0.00 41.96 41.77 1au2 s TYR 110 CO 0.00 -1.39 0.52 1.03 -2.51 0.00 0.00 175.55 173.20 1au2 s ARG 111 N -2.36 0.43 0.39 -3.49 0.52 -0.39 -4.88 118.95 109.18 1au2 s ARG 111 Ca 0.17 1.20 -0.19 0.00 -0.52 0.00 0.00 55.73 56.38 1au2 s ARG 111 Cb -0.04 0.55 -0.10 0.00 0.52 0.00 0.00 34.95 35.87 1au2 s ARG 111 CO 0.10 -0.24 0.88 -1.21 0.02 0.00 0.00 175.30 174.84 1au2 s GLU 112 N 2.73 4.17 0.32 3.54 2.02 -1.26 -2.12 118.70 128.11 1au2 s GLU 112 Ca -0.03 0.99 -0.07 0.00 0.02 0.00 0.00 54.97 55.88 1au2 s GLU 112 Cb -0.12 -2.29 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 1au2 s GLU 112 CO -0.15 0.04 0.63 0.42 0.02 0.00 0.00 175.26 176.21 1au2 s ILE 113 N -2.09 4.94 -0.04 -1.63 1.09 -1.01 -4.94 121.20 117.52 1au2 s ILE 113 Ca 0.59 0.28 -0.32 0.00 -1.10 0.00 0.00 60.65 60.10 1au2 s ILE 113 Cb -0.10 -3.72 -0.10 0.00 -1.06 0.00 0.00 42.46 37.48 1au2 s ILE 113 CO 0.15 -0.36 1.95 -2.65 -0.10 0.00 0.00 174.94 173.92 1au2 n PRO 114 N -0.98 2.50 -1.51 2.79 -0.02 -1.26 -4.73 135.00 131.78 1au2 n PRO 114 Ca -0.00 0.91 -0.31 0.00 -2.02 0.00 0.00 63.50 62.07 1au2 n PRO 114 Cb 0.54 -2.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.00 1au2 n PRO 114 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1au2 n GLU 115 N 7.21 0.11 0.00 -0.52 1.02 -1.26 -0.49 120.64 126.70 1au2 n GLU 115 Ca 0.22 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1au2 n GLU 115 Cb 0.36 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1au2 n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1au2 n GLY 116 N 6.09 0.52 3.48 0.62 0.00 -0.19 -4.92 105.19 110.79 1au2 n GLY 116 Ca 0.64 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 1au2 n GLY 116 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1au2 s ASN 117 N -2.13 6.20 0.19 1.61 3.84 0.35 -4.89 114.94 120.11 1au2 s ASN 117 Ca 0.00 -0.78 -0.07 0.00 0.21 0.00 0.00 52.86 52.22 1au2 s ASN 117 Cb 0.00 -2.45 0.09 0.00 -0.55 0.00 0.00 41.25 38.34 1au2 s ASN 117 CO 0.00 -1.49 1.60 -0.08 -2.79 0.00 0.00 177.10 174.34 1au2 h GLU 118 N 9.62 0.92 -0.43 0.43 4.81 -1.92 -2.94 114.58 125.06 1au2 h GLU 118 Ca -0.28 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.54 1au2 h GLU 118 Cb 1.07 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1au2 h GLU 118 CO 1.19 1.02 0.09 0.87 -0.73 0.00 0.00 179.01 181.45 1au2 h LYS 119 N 0.80 0.66 0.00 1.92 1.79 -1.99 -1.32 116.57 118.43 1au2 h LYS 119 Ca 0.11 -0.12 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1au2 h LYS 119 Cb 0.74 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1au2 h LYS 119 CO 0.06 0.61 -0.35 0.00 -1.08 0.00 0.00 179.45 178.69 1au2 h ALA 120 N 1.46 1.40 0.08 3.86 0.00 -1.93 -2.31 119.26 121.81 1au2 h ALA 120 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1au2 h ALA 120 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1au2 h ALA 120 CO 0.00 0.44 -0.04 1.25 0.00 0.00 0.00 179.25 180.91 1au2 h LEU 121 N 0.00 -0.09 -1.14 0.00 5.85 -1.12 -2.37 115.31 116.45 1au2 h LEU 121 Ca -0.00 -0.44 0.18 0.00 0.84 0.00 0.00 57.88 58.46 1au2 h LEU 121 Cb 0.63 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1au2 h LEU 121 CO 0.05 0.42 0.61 0.50 -0.34 0.00 0.00 178.44 179.68 1au2 h LYS 122 N -0.62 0.70 -0.03 1.25 3.64 -0.99 0.17 116.57 120.69 1au2 h LYS 122 Ca -0.01 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1au2 h LYS 122 Cb 0.52 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1au2 h LYS 122 CO 0.02 0.47 -0.08 0.00 -2.27 0.00 0.00 179.45 177.58 1au2 h ARG 123 N 0.73 0.10 -0.33 1.90 3.08 -1.47 -2.29 114.38 116.10 1au2 h ARG 123 Ca 0.53 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.58 1au2 h ARG 123 Cb 0.87 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 1au2 h ARG 123 CO -0.30 0.69 -0.20 0.00 -1.07 0.00 0.00 179.97 179.09 1au2 h ALA 124 N 0.42 0.03 -0.92 0.04 0.00 -0.78 0.42 119.26 118.46 1au2 h ALA 124 Ca -0.00 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1au2 h ALA 124 Cb 0.69 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1au2 h ALA 124 CO 0.02 -0.59 0.56 0.28 0.00 0.00 0.00 179.25 179.52 1au2 h VAL 125 N -0.16 0.95 0.00 0.00 2.07 -0.69 0.24 116.25 118.67 1au2 h VAL 125 Ca 0.17 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.18 1au2 h VAL 125 Cb 0.42 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1au2 h VAL 125 CO -0.42 0.17 -0.85 0.00 0.02 0.00 0.00 177.57 176.49 1au2 h ALA 126 N 1.48 0.58 0.00 1.67 0.00 -0.69 -2.88 119.26 119.43 1au2 h ALA 126 Ca 0.44 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1au2 h ALA 126 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1au2 h ALA 126 CO -0.24 0.95 -1.57 0.54 0.00 0.00 0.00 179.25 178.93 1au2 n ARG 127 N -3.62 0.60 -0.05 0.00 1.74 0.04 -4.75 116.66 110.62 1au2 n ARG 127 Ca -0.02 -0.12 -0.09 0.00 -0.77 0.00 0.00 57.85 56.85 1au2 n ARG 127 Cb 0.79 -1.46 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 1au2 n ARG 127 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1au2 n VAL 128 N -1.94 0.55 0.00 1.55 0.31 0.82 -5.06 118.33 114.55 1au2 n VAL 128 Ca -0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1au2 n VAL 128 Cb 0.45 -1.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1au2 n VAL 128 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1au2 n GLY 129 N 2.65 0.60 3.69 2.92 0.00 -1.09 -4.86 105.19 109.09 1au2 n GLY 129 Ca -0.19 -2.20 -0.45 0.00 0.00 0.00 0.00 46.02 43.19 1au2 n GLY 129 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1au2 n PRO 130 N 0.00 2.44 -3.98 1.61 -0.02 -1.26 -4.32 135.00 129.47 1au2 n PRO 130 Ca 0.00 0.88 -0.29 0.00 -2.02 0.00 0.00 63.50 62.08 1au2 n PRO 130 Cb 0.00 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 30.73 1au2 n PRO 130 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1au2 s VAL 131 N 1.87 5.08 -0.24 -1.45 1.01 -1.22 -4.60 120.40 120.86 1au2 s VAL 131 Ca 0.81 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1au2 s VAL 131 Cb -0.60 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1au2 s VAL 131 CO 0.39 0.02 0.39 -0.44 0.00 0.00 0.00 175.10 175.46 1au2 s SER 132 N -2.82 6.34 0.38 3.32 0.01 -0.12 -1.73 113.70 119.08 1au2 s SER 132 Ca 0.33 0.40 0.08 0.00 1.31 0.00 0.00 55.95 58.07 1au2 s SER 132 Cb -0.12 -2.22 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1au2 s SER 132 CO 0.26 -0.13 -0.03 0.68 0.41 0.00 0.00 173.24 174.43 1au2 s VAL 133 N 1.71 2.02 -0.12 3.43 -7.23 -0.18 -2.04 120.40 117.98 1au2 s VAL 133 Ca 0.17 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1au2 s VAL 133 Cb -0.15 -2.84 0.04 0.00 0.56 0.00 0.00 36.38 33.99 1au2 s VAL 133 CO 0.09 -0.08 0.06 0.00 -0.31 0.00 0.00 175.10 174.85 1au2 s ALA 134 N -2.72 0.49 0.34 1.32 0.00 -1.26 -1.05 121.76 118.89 1au2 s ALA 134 Ca 0.34 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.13 1au2 s ALA 134 Cb 0.07 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1au2 s ALA 134 CO 0.17 -0.83 0.04 0.44 0.00 0.00 0.00 175.76 175.58 1au2 n ILE 135 N 5.23 0.00 -3.18 0.00 -5.35 0.99 -4.59 119.36 112.46 1au2 n ILE 135 Ca -0.06 -1.56 -0.45 0.00 -0.27 0.00 0.00 62.75 60.41 1au2 n ILE 135 Cb 0.49 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.58 1au2 n ILE 135 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1au2 s ASP 136 N -2.89 6.20 -0.35 7.28 2.15 -0.91 -0.96 116.67 127.18 1au2 s ASP 136 Ca 0.03 -1.59 0.07 0.00 0.43 0.00 0.00 52.55 51.49 1au2 s ASP 136 Cb -0.00 -2.27 0.55 0.00 -0.30 0.00 0.00 42.92 40.90 1au2 s ASP 136 CO 0.02 -1.02 1.60 0.00 -0.17 0.00 0.00 175.17 175.61 1au2 n ALA 137 N 5.91 4.78 0.11 3.66 0.00 -1.26 -4.63 120.51 129.07 1au2 n ALA 137 Ca -0.10 -3.12 -0.19 0.00 0.00 0.00 0.00 53.44 50.02 1au2 n ALA 137 Cb 0.42 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 1au2 n ALA 137 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1au2 h SER 138 N 1.07 0.58 -3.00 0.00 4.64 -1.93 -3.44 113.55 111.46 1au2 h SER 138 Ca 0.35 -0.65 -0.52 0.00 -0.47 0.00 0.00 61.79 60.50 1au2 h SER 138 Cb 1.96 -0.19 0.06 0.00 -0.31 0.00 0.00 62.40 63.92 1au2 h SER 138 CO 0.64 1.52 0.90 -0.76 -0.87 0.00 0.00 176.83 178.26 1au2 s LEU 139 N -7.28 4.37 0.48 5.97 1.43 -1.26 -4.89 118.68 117.50 1au2 s LEU 139 Ca -0.07 2.79 0.17 0.00 -1.03 0.00 0.00 54.13 55.99 1au2 s LEU 139 Cb 0.06 -3.61 1.18 0.00 0.03 0.00 0.00 46.19 43.85 1au2 s LEU 139 CO 0.90 -0.87 2.04 0.74 0.23 0.00 0.00 176.35 179.39 1au2 h THR 140 N 3.71 0.90 0.00 5.49 2.02 -1.99 0.31 112.91 123.35 1au2 h THR 140 Ca -0.44 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1au2 h THR 140 Cb 1.21 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1au2 h THR 140 CO 0.87 0.04 -0.02 0.77 0.37 0.00 0.00 175.52 177.55 1au2 h SER 141 N 0.19 0.00 0.04 4.18 4.64 -1.97 0.15 113.55 120.79 1au2 h SER 141 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1au2 h SER 141 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1au2 h SER 141 CO -0.03 0.02 -0.02 0.15 -0.87 0.00 0.00 176.83 176.08 1au2 h PHE 142 N 0.00 -0.05 -0.81 4.77 3.57 -0.77 -3.33 116.94 120.32 1au2 h PHE 142 Ca -0.00 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1au2 h PHE 142 Cb 0.22 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1au2 h PHE 142 CO 0.00 0.36 0.49 1.96 -2.23 0.00 0.00 178.31 178.89 1au2 h GLN 143 N -0.99 0.86 -0.83 1.11 4.20 -0.93 -1.72 115.11 116.82 1au2 h GLN 143 Ca -0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1au2 h GLN 143 Cb 0.43 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1au2 h GLN 143 CO 0.01 0.57 0.00 1.97 -0.67 0.00 0.00 178.83 180.71 1au2 n PHE 144 N -4.67 0.57 -2.01 2.96 1.16 0.45 -4.80 117.46 111.13 1au2 n PHE 144 Ca 0.12 -0.20 -0.41 0.00 -1.87 0.00 0.00 57.45 55.09 1au2 n PHE 144 Cb 0.19 -0.20 -0.02 0.00 -1.61 0.00 0.00 39.48 37.84 1au2 n PHE 144 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 1au2 s TYR 145 N -1.52 2.91 0.00 2.97 5.04 -0.65 -4.91 117.35 121.20 1au2 s TYR 145 Ca 0.15 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 56.05 1au2 s TYR 145 Cb 0.12 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.62 1au2 s TYR 145 CO 0.05 -2.34 0.00 -1.13 -1.34 0.00 0.00 175.55 170.78 1au2 n SER 146 N 1.02 1.79 -3.63 4.32 3.41 -1.26 -2.86 113.62 116.41 1au2 n SER 146 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.54 1au2 n SER 146 Cb 0.41 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1au2 n SER 146 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1au2 s LYS 147 N -1.36 1.35 0.37 4.33 -2.85 -1.26 -3.69 119.74 116.62 1au2 s LYS 147 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 1au2 s LYS 147 Cb 0.00 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1au2 s LYS 147 CO 0.00 -0.61 0.00 0.41 0.10 0.00 0.00 175.35 175.25 1au2 n GLY 148 N -0.40 -2.18 3.37 0.59 0.00 -1.26 -4.84 105.19 100.48 1au2 n GLY 148 Ca -0.10 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 1au2 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1au2 s VAL 149 N -0.19 4.83 0.48 1.61 1.01 -1.26 -4.22 120.40 122.66 1au2 s VAL 149 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1au2 s VAL 149 Cb 0.00 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1au2 s VAL 149 CO 0.00 -0.43 1.22 -0.47 0.00 0.00 0.00 175.10 175.42 1au2 s TYR 150 N 1.57 2.71 -0.29 5.22 5.04 0.11 -4.78 117.35 126.94 1au2 s TYR 150 Ca 0.03 1.49 -0.17 0.00 -2.44 0.00 0.00 57.07 55.98 1au2 s TYR 150 Cb -0.22 -3.49 0.13 0.00 0.35 0.00 0.00 41.96 38.73 1au2 s TYR 150 CO 0.06 -1.88 0.91 -0.47 -1.34 0.00 0.00 175.55 172.83 1au2 s TYR 151 N -1.48 -0.68 -0.11 4.97 5.04 -1.26 -1.11 117.35 122.72 1au2 s TYR 151 Ca 0.66 1.40 -0.03 0.00 -2.44 0.00 0.00 57.07 56.65 1au2 s TYR 151 Cb -0.32 0.41 0.05 0.00 0.35 0.00 0.00 41.96 42.46 1au2 s TYR 151 CO 0.38 -0.34 0.15 0.34 -1.34 0.00 0.00 175.55 174.74 1au2 s ASP 152 N 1.26 1.08 0.49 4.32 2.15 -1.26 -5.03 116.67 119.67 1au2 s ASP 152 Ca -0.08 0.11 0.14 0.00 0.43 0.00 0.00 52.55 53.16 1au2 s ASP 152 Cb -0.04 0.18 1.15 0.00 -0.30 0.00 0.00 42.92 43.91 1au2 s ASP 152 CO -0.15 -0.27 2.10 1.05 -0.17 0.00 0.00 175.17 177.73 1au2 h GLU 153 N 8.37 0.07 -0.47 4.34 9.09 -2.02 -1.60 114.58 132.36 1au2 h GLU 153 Ca -0.14 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.27 1au2 h GLU 153 Cb 1.13 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1au2 h GLU 153 CO 0.18 0.09 0.00 -1.13 0.05 0.00 0.00 179.01 178.20 1au2 n SER 154 N -4.48 1.08 -4.77 3.06 3.41 -1.26 -4.84 113.62 105.82 1au2 n SER 154 Ca -0.02 -2.06 -0.38 0.00 -0.26 0.00 0.00 58.87 56.15 1au2 n SER 154 Cb 0.13 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1au2 n SER 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1au2 s ASN 156 N -1.44 5.12 0.00 0.00 3.84 -1.26 -4.61 114.94 116.59 1au2 s ASN 156 Ca 0.51 -0.61 0.14 0.00 0.21 0.00 0.00 52.86 53.11 1au2 s ASN 156 Cb -0.23 -1.89 0.72 0.00 -0.55 0.00 0.00 41.25 39.31 1au2 s ASN 156 CO 0.29 -0.16 1.36 -1.20 -2.79 0.00 0.00 177.10 174.59 1au2 n SER 157 N 4.88 0.00 -0.70 -4.21 7.64 -1.26 -1.43 113.62 118.54 1au2 n SER 157 Ca -0.15 0.01 0.08 0.00 1.01 0.00 0.00 58.87 59.82 1au2 n SER 157 Cb 0.49 -0.25 0.11 0.00 -1.01 0.00 0.00 64.21 63.55 1au2 n SER 157 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1au2 n ASP 158 N -1.25 2.58 -3.25 6.43 9.92 -1.26 -4.63 116.55 125.09 1au2 n ASP 158 Ca 0.07 -1.75 -0.30 0.00 -0.53 0.00 0.00 54.79 52.28 1au2 n ASP 158 Cb 0.10 -0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 40.45 1au2 n ASP 158 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1au2 n ASN 159 N 0.89 4.93 -4.63 -2.24 2.85 -0.52 -5.02 115.26 111.52 1au2 n ASN 159 Ca 0.11 -3.61 -0.43 0.00 -0.11 0.00 0.00 54.58 50.54 1au2 n ASN 159 Cb 0.42 -0.74 -0.02 0.00 1.24 0.00 0.00 39.78 40.68 1au2 n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1au2 s LEU 160 N -3.32 3.93 0.00 1.20 1.43 -1.26 -4.03 118.68 116.62 1au2 s LEU 160 Ca 0.44 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1au2 s LEU 160 Cb 0.22 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1au2 s LEU 160 CO -0.09 -1.13 0.00 -0.46 0.23 0.00 0.00 176.35 174.90 1au2 n ASN 161 N 7.90 0.70 -4.27 2.29 0.23 -0.82 -4.99 115.26 116.31 1au2 n ASN 161 Ca 0.17 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.89 1au2 n ASN 161 Cb 0.46 0.10 -0.15 0.00 -2.08 0.00 0.00 39.78 38.10 1au2 n ASN 161 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1au2 s HIS 162 N -0.78 2.77 -0.14 -2.53 2.46 -0.14 -4.98 115.29 111.97 1au2 s HIS 162 Ca 0.00 -1.00 -0.14 0.00 0.47 0.00 0.00 55.06 54.38 1au2 s HIS 162 Cb 0.00 -1.87 -0.05 0.00 -0.13 0.00 0.00 32.58 30.53 1au2 s HIS 162 CO 0.00 -0.44 0.33 0.00 -2.47 0.00 0.00 174.74 172.16 1au2 s ALA 163 N 0.74 3.59 0.13 1.58 0.00 -1.26 -0.00 121.76 126.54 1au2 s ALA 163 Ca -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1au2 s ALA 163 Cb -0.16 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1au2 s ALA 163 CO 0.01 0.13 0.10 1.33 0.00 0.00 0.00 175.76 177.33 1au2 n VAL 164 N 3.36 0.00 -3.99 0.00 0.24 -0.21 -4.61 118.33 113.11 1au2 n VAL 164 Ca -0.11 -0.95 -0.29 0.00 -2.04 0.00 0.00 64.34 60.95 1au2 n VAL 164 Cb 0.52 0.45 -0.17 0.00 -1.47 0.00 0.00 33.84 33.18 1au2 n VAL 164 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1au2 s LEU 165 N 0.00 1.57 -0.24 1.34 2.96 -1.17 -1.01 118.68 122.12 1au2 s LEU 165 Ca 0.14 -0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 53.32 1au2 s LEU 165 Cb 0.01 -1.10 -0.00 0.00 0.50 0.00 0.00 46.19 45.60 1au2 s LEU 165 CO 0.10 -0.07 1.26 0.00 -1.32 0.00 0.00 176.35 176.32 1au2 s ALA 166 N 1.54 3.52 -0.71 5.97 0.00 -0.71 -2.00 121.76 129.37 1au2 s ALA 166 Ca 0.05 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.49 1au2 s ALA 166 Cb -0.13 -3.69 0.22 0.00 0.00 0.00 0.00 23.12 19.52 1au2 s ALA 166 CO -0.10 -1.46 1.19 0.28 0.00 0.00 0.00 175.76 175.67 1au2 n VAL 167 N 5.79 0.19 0.00 0.00 0.31 0.15 -3.38 118.33 121.39 1au2 n VAL 167 Ca 0.14 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1au2 n VAL 167 Cb 0.46 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1au2 n VAL 167 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1au2 n GLY 168 N 1.39 -0.76 3.74 2.92 0.00 -1.21 -1.96 105.19 109.31 1au2 n GLY 168 Ca 0.03 -0.34 0.03 0.00 0.00 0.00 0.00 46.02 45.74 1au2 n GLY 168 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1au2 s TYR 169 N -4.00 -0.01 -5.00 1.61 -0.85 0.10 -3.46 117.35 105.75 1au2 s TYR 169 Ca 0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1au2 s TYR 169 Cb 0.00 0.53 0.00 0.00 0.38 0.00 0.00 41.96 42.87 1au2 s TYR 169 CO 0.00 -0.15 0.00 0.41 -1.52 0.00 0.00 175.55 174.29 1au2 n GLY 170 N -0.66 -0.27 3.77 5.49 0.00 -0.98 -1.58 105.19 110.96 1au2 n GLY 170 Ca -0.04 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 1au2 n GLY 170 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1au2 s ILE 171 N -2.99 1.33 0.00 -0.61 -1.09 -1.26 -1.31 121.20 115.26 1au2 s ILE 171 Ca 0.00 -1.92 0.00 0.00 -2.23 0.00 0.00 60.65 56.50 1au2 s ILE 171 Cb 0.00 -2.25 0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1au2 s ILE 171 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 174.94 175.38 1au2 n GLN 172 N -1.31 0.00 -3.02 2.79 -0.06 0.28 -4.86 117.38 111.21 1au2 n GLN 172 Ca -0.15 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.61 1au2 n GLN 172 Cb 0.67 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.81 1au2 n GLN 172 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1au2 n LYS 173 N -0.18 2.50 -0.83 3.69 5.02 -1.26 -4.69 118.16 122.40 1au2 n LYS 173 Ca 0.00 -4.37 0.00 0.00 -2.02 0.00 0.00 58.31 51.92 1au2 n LYS 173 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 1au2 n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1au2 n GLY 174 N -0.08 0.54 3.21 0.72 0.00 -1.26 -5.03 105.19 103.30 1au2 n GLY 174 Ca 0.29 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1au2 n GLY 174 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1au2 s ASN 175 N -2.35 3.23 0.39 1.61 -0.87 -1.26 -5.11 114.94 110.58 1au2 s ASN 175 Ca 0.00 -0.55 -0.16 0.00 -1.57 0.00 0.00 52.86 50.58 1au2 s ASN 175 Cb 0.00 -1.46 -0.09 0.00 -0.02 0.00 0.00 41.25 39.69 1au2 s ASN 175 CO 0.00 0.12 0.83 -0.54 -2.57 0.00 0.00 177.10 174.94 1au2 s LYS 176 N 0.59 4.00 0.04 -0.60 1.02 -1.26 0.10 119.74 123.63 1au2 s LYS 176 Ca -0.12 0.77 -0.24 0.00 0.02 0.00 0.00 55.97 56.40 1au2 s LYS 176 Cb -0.17 -2.32 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1au2 s LYS 176 CO 0.03 0.01 0.56 -3.38 -0.92 0.00 0.00 175.35 171.65 1au2 s HIS 177 N -2.21 -0.48 -0.26 3.18 -3.43 -0.43 -2.06 115.29 109.61 1au2 s HIS 177 Ca 0.56 0.59 -0.07 0.00 -0.80 0.00 0.00 55.06 55.34 1au2 s HIS 177 Cb -0.10 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.41 1au2 s HIS 177 CO 0.21 -0.65 0.06 -1.58 -2.00 0.00 0.00 174.74 170.78 1au2 s TRP 178 N -2.28 3.08 -0.47 0.38 0.52 -0.46 -2.32 118.94 117.40 1au2 s TRP 178 Ca -0.06 -0.62 -0.29 0.00 0.02 0.00 0.00 56.10 55.15 1au2 s TRP 178 Cb -0.01 -2.23 0.02 0.00 -1.15 0.00 0.00 33.47 30.10 1au2 s TRP 178 CO -0.00 -0.44 1.32 0.42 0.02 0.00 0.00 176.95 178.27 1au2 s ILE 179 N 1.57 3.97 -0.09 2.03 1.01 -1.22 -1.92 121.20 126.55 1au2 s ILE 179 Ca 0.05 0.96 -0.02 0.00 0.00 0.00 0.00 60.65 61.64 1au2 s ILE 179 Cb -0.15 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 1au2 s ILE 179 CO 0.02 -0.94 0.01 -0.63 0.00 0.00 0.00 174.94 173.41 1au2 s ILE 180 N 5.25 4.39 -0.22 2.92 -1.09 0.01 0.29 121.20 132.75 1au2 s ILE 180 Ca 0.55 -0.22 -0.05 0.00 -2.23 0.00 0.00 60.65 58.70 1au2 s ILE 180 Cb -0.11 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 1au2 s ILE 180 CO 0.31 0.61 0.00 -0.75 -1.23 0.00 0.00 174.94 173.88 1au2 s LYS 181 N -0.88 3.56 0.39 2.79 2.20 -0.85 -1.14 119.74 125.83 1au2 s LYS 181 Ca 0.13 -0.54 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 1au2 s LYS 181 Cb -0.11 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1au2 s LYS 181 CO 0.02 -0.09 0.44 1.21 -0.36 0.00 0.00 175.35 176.57 1au2 s ASN 182 N 1.26 5.40 -0.21 1.43 3.84 -0.67 -3.04 114.94 122.94 1au2 s ASN 182 Ca 0.04 -0.53 0.15 0.00 0.21 0.00 0.00 52.86 52.72 1au2 s ASN 182 Cb -0.15 -0.75 0.59 0.00 -0.55 0.00 0.00 41.25 40.39 1au2 s ASN 182 CO 0.01 -0.61 1.51 -1.54 -2.79 0.00 0.00 177.10 173.68 1au2 n SER 183 N -1.63 4.07 -1.74 -4.21 3.41 -1.26 -4.60 113.62 107.65 1au2 n SER 183 Ca 0.04 -3.11 -0.15 0.00 -0.26 0.00 0.00 58.87 55.39 1au2 n SER 183 Cb 0.60 -0.59 0.10 0.00 -0.26 0.00 0.00 64.21 64.06 1au2 n SER 183 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1au2 n TRP 184 N -0.41 1.82 0.00 7.33 8.01 -1.23 -0.73 117.44 132.24 1au2 n TRP 184 Ca 0.26 -1.34 0.00 0.00 -1.31 0.00 0.00 57.50 55.10 1au2 n TRP 184 Cb 1.00 -0.68 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 1au2 n TRP 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1au2 n GLY 185 N -0.44 -2.07 1.22 6.99 0.00 0.46 -4.30 105.19 107.04 1au2 n GLY 185 Ca 0.35 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.83 1au2 n GLY 185 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1au2 n GLU 186 N -1.82 1.45 -0.00 1.61 0.28 -1.26 -2.90 120.64 117.99 1au2 n GLU 186 Ca 0.00 -0.77 0.04 0.00 -0.16 0.00 0.00 57.16 56.27 1au2 n GLU 186 Cb 0.00 -1.38 -0.06 0.00 1.43 0.00 0.00 31.44 31.44 1au2 n GLU 186 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1au2 n ASN 187 N 0.10 1.72 -4.86 -1.84 5.15 -1.26 -4.26 115.26 110.01 1au2 n ASN 187 Ca 0.14 -0.34 -0.33 0.00 -0.60 0.00 0.00 54.58 53.44 1au2 n ASN 187 Cb 0.74 1.20 -0.06 0.00 -0.53 0.00 0.00 39.78 41.13 1au2 n ASN 187 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1au2 s TRP 188 N -2.21 3.45 0.00 1.20 -0.00 -1.14 -4.87 118.94 115.37 1au2 s TRP 188 Ca -0.00 1.00 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 1au2 s TRP 188 Cb 0.06 -2.35 0.00 0.00 -0.00 0.00 0.00 33.47 31.18 1au2 s TRP 188 CO 0.35 0.26 0.00 0.41 -0.00 0.00 0.00 176.95 177.97 1au2 n GLY 189 N 0.00 1.03 3.50 5.86 0.00 -1.14 -0.45 105.19 114.00 1au2 n GLY 189 Ca 0.00 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 1au2 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1au2 s ASN 190 N -4.00 6.64 -1.43 1.61 3.84 -0.04 -4.26 114.94 117.31 1au2 s ASN 190 Ca 0.00 -1.94 -0.08 0.00 0.21 0.00 0.00 52.86 51.05 1au2 s ASN 190 Cb 0.00 -2.48 0.04 0.00 -0.55 0.00 0.00 41.25 38.27 1au2 s ASN 190 CO 0.00 -1.21 0.62 0.29 -2.79 0.00 0.00 177.10 174.01 1au2 n LYS 191 N 7.46 -4.44 0.00 0.43 4.76 -1.24 -1.09 118.16 124.04 1au2 n LYS 191 Ca 0.30 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.43 1au2 n LYS 191 Cb 0.49 -5.49 0.00 0.00 -1.84 0.00 0.00 35.03 28.19 1au2 n LYS 191 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1au2 n GLY 192 N -1.41 3.26 3.96 0.72 0.00 0.40 -4.68 105.19 107.44 1au2 n GLY 192 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1au2 n GLY 192 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1au2 s TYR 193 N -2.94 3.45 -0.01 1.61 1.51 -0.25 -1.67 117.35 119.05 1au2 s TYR 193 Ca 0.00 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 1au2 s TYR 193 Cb 0.00 -1.59 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1au2 s TYR 193 CO 0.00 0.46 0.04 -1.50 -1.11 0.00 0.00 175.55 173.44 1au2 s ILE 194 N -1.92 0.03 -0.31 2.71 2.07 -0.29 -0.86 121.20 122.63 1au2 s ILE 194 Ca 0.34 -0.24 -0.11 0.00 -1.41 0.00 0.00 60.65 59.24 1au2 s ILE 194 Cb -0.09 -0.14 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 1au2 s ILE 194 CO 0.29 -0.13 0.18 -0.76 -1.91 0.00 0.00 174.94 172.61 1au2 s LEU 195 N -0.38 4.19 0.15 8.50 1.02 -1.26 -0.81 118.68 130.09 1au2 s LEU 195 Ca -0.04 -0.37 0.04 0.00 0.02 0.00 0.00 54.13 53.77 1au2 s LEU 195 Cb -0.03 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 1au2 s LEU 195 CO -0.00 -0.17 0.19 -0.04 0.02 0.00 0.00 176.35 176.35 1au2 s MET 196 N 1.68 3.14 0.15 1.70 -1.94 -0.81 0.08 119.30 123.29 1au2 s MET 196 Ca 0.06 -0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 52.99 1au2 s MET 196 Cb -0.17 -2.80 -0.10 0.00 2.01 0.00 0.00 34.83 33.78 1au2 s MET 196 CO 0.08 0.51 1.54 0.00 -0.01 0.00 0.00 175.02 177.15 1au2 s ALA 197 N -1.71 3.74 -0.15 3.03 0.00 -0.27 -1.35 121.76 125.05 1au2 s ALA 197 Ca 0.32 1.31 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 1au2 s ALA 197 Cb -0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1au2 s ALA 197 CO 0.25 -0.78 -0.07 0.50 0.00 0.00 0.00 175.76 175.67 1au2 s ARG 198 N 1.25 3.54 0.00 0.00 3.52 -0.87 -4.56 118.95 121.83 1au2 s ARG 198 Ca 0.69 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1au2 s ARG 198 Cb -0.42 -2.81 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1au2 s ARG 198 CO 0.31 0.20 0.00 0.09 -0.81 0.00 0.00 175.30 175.09 1au2 n ASN 199 N 3.63 -2.52 -3.64 -2.12 4.13 -1.26 -4.47 115.26 109.00 1au2 n ASN 199 Ca -0.18 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.70 1au2 n ASN 199 Cb 0.52 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.34 1au2 n ASN 199 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1au2 n LYS 200 N -2.84 4.65 -2.38 3.52 5.02 -1.26 -4.81 118.16 120.06 1au2 n LYS 200 Ca 0.00 -4.66 -0.19 0.00 -2.02 0.00 0.00 58.31 51.43 1au2 n LYS 200 Cb 0.00 -2.44 -0.01 0.00 -0.02 0.00 0.00 35.03 32.56 1au2 n LYS 200 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1au2 n ASN 201 N 0.39 -5.50 -2.61 4.39 4.05 -1.26 -2.94 115.26 111.78 1au2 n ASN 201 Ca 0.37 0.04 -0.06 0.00 0.45 0.00 0.00 54.58 55.38 1au2 n ASN 201 Cb 0.31 -4.60 0.03 0.00 1.23 0.00 0.00 39.78 36.74 1au2 n ASN 201 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1au2 n ASN 202 N -1.95 -5.37 -4.75 1.20 5.15 -1.26 -4.96 115.26 103.33 1au2 n ASN 202 Ca -0.23 -0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.03 1au2 n ASN 202 Cb 0.67 -3.71 -0.02 0.00 -0.53 0.00 0.00 39.78 36.19 1au2 n ASN 202 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1au2 s ALA 203 N -3.16 3.63 0.00 5.20 0.00 -1.15 -2.40 121.76 123.88 1au2 s ALA 203 Ca 0.19 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1au2 s ALA 203 Cb -0.02 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1au2 s ALA 203 CO 0.49 -0.76 0.00 0.00 0.00 0.00 0.00 175.76 175.49 1au2 n GLY 205 N 0.16 -0.35 0.30 0.00 0.00 -1.01 -2.15 105.19 102.15 1au2 n GLY 205 Ca 0.00 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1au2 n GLY 205 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1au2 h ILE 206 N -0.97 1.26 -0.57 -0.61 6.09 -1.69 -3.23 117.51 117.79 1au2 h ILE 206 Ca -0.41 -1.08 0.00 0.00 -1.37 0.00 0.00 64.86 62.00 1au2 h ILE 206 Cb 1.22 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1au2 h ILE 206 CO 0.32 0.40 0.00 0.00 -3.07 0.00 0.00 178.15 175.79 1au2 n ALA 207 N -2.46 2.90 1.09 0.18 0.00 -1.26 -4.42 120.51 116.54 1au2 n ALA 207 Ca 0.03 -1.30 0.13 0.00 0.00 0.00 0.00 53.44 52.30 1au2 n ALA 207 Cb 0.31 -1.01 0.41 0.00 0.00 0.00 0.00 19.45 19.16 1au2 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1au2 n ASN 208 N 1.02 0.44 -2.73 0.00 4.13 -1.22 -1.03 115.26 115.87 1au2 n ASN 208 Ca 0.22 -0.20 -0.09 0.00 1.68 0.00 0.00 54.58 56.20 1au2 n ASN 208 Cb 0.73 0.01 0.09 0.00 -1.54 0.00 0.00 39.78 39.07 1au2 n ASN 208 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1au2 n LEU 209 N -1.32 -1.11 -4.94 3.41 7.94 -1.26 -4.84 117.00 114.88 1au2 n LEU 209 Ca 0.08 -3.66 -0.25 0.00 -1.11 0.00 0.00 56.01 51.06 1au2 n LEU 209 Cb 0.33 0.32 -0.02 0.00 0.53 0.00 0.00 43.42 44.58 1au2 n LEU 209 CO 0.30 1.89 0.10 0.00 -1.11 0.00 0.00 177.39 178.57 1au2 s ALA 210 N -0.65 3.77 -0.01 1.96 0.00 -1.26 -4.05 121.76 121.52 1au2 s ALA 210 Ca 0.24 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1au2 s ALA 210 Cb 0.39 -2.04 0.11 0.00 0.00 0.00 0.00 23.12 21.58 1au2 s ALA 210 CO -0.06 0.20 1.09 -1.54 0.00 0.00 0.00 175.76 175.45 1au2 s SER 211 N -3.64 -0.18 0.01 0.00 1.04 -0.87 -2.39 113.70 107.67 1au2 s SER 211 Ca 0.39 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.55 1au2 s SER 211 Cb -0.10 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.33 1au2 s SER 211 CO 0.32 -0.51 0.28 0.72 0.98 0.00 0.00 173.24 175.02 1au2 s PHE 212 N -2.81 -0.11 0.39 5.02 -0.12 -0.90 -0.95 117.98 118.51 1au2 s PHE 212 Ca 0.10 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.07 1au2 s PHE 212 Cb 0.00 0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 1au2 s PHE 212 CO -0.04 -0.41 0.60 -1.25 -0.05 0.00 0.00 175.22 174.07 1au2 s PRO 213 N -1.81 3.30 -0.03 1.99 0.04 -1.26 -1.26 135.00 135.96 1au2 s PRO 213 Ca -0.10 -0.42 -0.00 0.00 0.04 0.00 0.00 61.00 60.52 1au2 s PRO 213 Cb -0.04 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1au2 s PRO 213 CO 0.01 -0.03 0.01 0.15 0.04 0.00 0.00 177.00 177.18 1au2 s LYS 214 N -4.41 2.90 0.00 4.56 1.02 -0.89 -4.90 119.74 118.01 1au2 s LYS 214 Ca 0.44 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.91 1au2 s LYS 214 Cb -0.10 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 1au2 s LYS 214 CO 0.37 0.66 0.29 -0.12 -0.92 0.00 0.00 175.35 175.62