#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h89 n PRO 2 N 0.00 0.42 0.23 0.00 -0.02 -1.26 -4.87 135.00 129.49 3h89 n PRO 2 Ca 0.00 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3h89 n PRO 2 Cb 0.00 -1.38 0.53 0.00 -0.02 0.00 0.00 33.50 32.62 3h89 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h89 h ARG 3 N 0.65 0.00 -2.23 -0.52 2.47 -2.04 -3.45 114.38 109.27 3h89 h ARG 3 Ca -0.40 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.25 3h89 h ARG 3 Cb 1.41 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.53 3h89 h ARG 3 CO 0.50 0.00 0.06 -1.12 0.56 0.00 0.00 179.97 179.98 3h89 s SER 4 N -5.46 -0.59 0.01 7.04 0.01 -1.26 -4.51 113.70 108.94 3h89 s SER 4 Ca 0.04 0.80 -0.08 0.00 1.31 0.00 0.00 55.95 58.02 3h89 s SER 4 Cb 0.08 0.75 0.00 0.00 0.21 0.00 0.00 66.02 67.06 3h89 s SER 4 CO 0.55 -0.46 0.15 -0.69 0.41 0.00 0.00 173.24 173.19 3h89 s VAL 5 N -0.72 0.09 -0.35 3.43 1.01 0.31 -4.95 120.40 119.21 3h89 s VAL 5 Ca -0.08 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3h89 s VAL 5 Cb -0.02 -0.49 0.19 0.00 0.00 0.00 0.00 36.38 36.06 3h89 s VAL 5 CO 0.06 -0.39 0.85 -0.62 0.00 0.00 0.00 175.10 175.00 3h89 s ASP 6 N -1.46 -0.90 0.26 3.32 -1.08 -1.25 -0.83 116.67 114.72 3h89 s ASP 6 Ca -0.14 -0.33 0.19 0.00 -0.52 0.00 0.00 52.55 51.75 3h89 s ASP 6 Cb -0.07 1.24 0.97 0.00 -1.46 0.00 0.00 42.92 43.60 3h89 s ASP 6 CO 0.01 -0.12 1.57 0.79 0.52 0.00 0.00 175.17 177.94 3h89 n TRP 7 N 4.30 0.62 -0.17 -5.34 7.02 -0.57 -2.25 117.44 121.05 3h89 n TRP 7 Ca 0.08 0.31 -0.01 0.00 -1.02 0.00 0.00 57.50 56.87 3h89 n TRP 7 Cb 0.59 -1.00 0.23 0.00 -2.42 0.00 0.00 31.31 28.71 3h89 n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3h89 h ARG 8 N 0.00 0.91 -0.75 -0.99 3.08 -1.94 -2.07 114.38 112.61 3h89 h ARG 8 Ca 0.00 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.03 3h89 h ARG 8 Cb 0.05 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.87 3h89 h ARG 8 CO 0.00 0.68 0.49 0.93 -1.07 0.00 0.00 179.97 181.00 3h89 h GLU 9 N 0.91 0.72 -0.01 0.04 5.08 -1.87 -2.30 114.58 117.16 3h89 h GLU 9 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3h89 h GLU 9 Cb 0.05 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3h89 h GLU 9 CO -0.04 0.47 -0.24 1.63 -1.00 0.00 0.00 179.01 179.84 3h89 n LYS 10 N -4.49 0.69 -0.37 2.33 4.76 -0.80 -4.94 118.16 115.33 3h89 n LYS 10 Ca 0.12 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 3h89 n LYS 10 Cb 0.27 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3h89 n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h89 n GLY 11 N 1.35 0.78 0.11 0.72 0.00 -0.87 -4.98 105.19 102.30 3h89 n GLY 11 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 3h89 n GLY 11 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3h89 h TYR 12 N 0.00 0.00 -2.82 1.61 -1.99 -1.71 -3.44 116.97 108.61 3h89 h TYR 12 Ca 0.00 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 60.06 3h89 h TYR 12 Cb 0.00 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.64 3h89 h TYR 12 CO 0.00 0.74 -0.51 0.08 -0.00 0.00 0.00 178.16 178.46 3h89 s VAL 13 N -3.09 5.22 0.58 -2.88 1.01 -1.26 -3.83 120.40 116.14 3h89 s VAL 13 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3h89 s VAL 13 Cb 0.10 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3h89 s VAL 13 CO 0.78 0.61 0.84 0.42 0.00 0.00 0.00 175.10 177.75 3h89 s THR 14 N -0.95 3.03 1.02 3.92 -4.23 -1.26 -4.98 115.64 112.19 3h89 s THR 14 Ca 0.14 -0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 3h89 s THR 14 Cb -0.12 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.71 3h89 s THR 14 CO 0.03 -0.16 0.93 -2.65 -0.54 0.00 0.00 174.62 172.24 3h89 n PRO 15 N -2.48 -1.17 -2.20 3.99 -0.02 -1.26 -4.92 135.00 126.95 3h89 n PRO 15 Ca 0.06 -0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 3h89 n PRO 15 Cb 0.59 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3h89 n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3h89 s VAL 16 N -2.51 3.15 0.52 -1.45 1.01 -1.26 -5.03 120.40 114.83 3h89 s VAL 16 Ca 0.65 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.66 3h89 s VAL 16 Cb -0.23 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3h89 s VAL 16 CO 0.62 0.15 0.43 -0.54 0.00 0.00 0.00 175.10 175.76 3h89 s LYS 17 N -0.22 2.31 -0.09 2.72 1.02 -1.26 -4.78 119.74 119.43 3h89 s LYS 17 Ca 0.56 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.68 3h89 s LYS 17 Cb -0.37 -2.20 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 3h89 s LYS 17 CO 0.39 -0.55 -0.11 1.21 -0.92 0.00 0.00 175.35 175.37 3h89 s ASN 18 N -4.28 2.08 0.00 2.83 3.84 -1.26 -2.08 114.94 116.07 3h89 s ASN 18 Ca 0.40 -0.34 0.27 0.00 0.21 0.00 0.00 52.86 53.40 3h89 s ASN 18 Cb -0.02 -0.90 0.83 0.00 -0.55 0.00 0.00 41.25 40.60 3h89 s ASN 18 CO 0.24 -0.02 1.62 0.00 -2.79 0.00 0.00 177.10 176.15 3h89 n GLN 19 N 4.30 0.51 0.00 0.43 10.64 0.12 -4.93 117.38 128.44 3h89 n GLN 19 Ca -0.19 -0.26 0.00 0.00 -1.83 0.00 0.00 57.00 54.73 3h89 n GLN 19 Cb 0.51 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.40 3h89 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h89 n GLY 20 N 1.38 0.87 3.09 2.61 0.00 -1.26 -3.65 105.19 108.23 3h89 n GLY 20 Ca 0.10 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 3h89 n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h89 n GLN 21 N 0.00 3.06 -3.61 1.61 6.02 -1.26 -4.79 117.38 118.40 3h89 n GLN 21 Ca 0.00 -2.97 -0.03 0.00 -0.01 0.00 0.00 57.00 53.98 3h89 n GLN 21 Cb 0.00 -3.33 -0.06 0.00 1.02 0.00 0.00 30.24 27.87 3h89 n GLN 21 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h89 n GLY 23 N 4.38 3.51 1.31 0.00 0.00 0.20 -4.33 105.19 110.27 3h89 n GLY 23 Ca -0.17 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.82 3h89 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h89 n SER 24 N 3.78 4.48 -0.35 1.61 3.41 -1.26 -3.30 113.62 121.99 3h89 n SER 24 Ca 0.57 -2.69 0.11 0.00 -0.26 0.00 0.00 58.87 56.61 3h89 n SER 24 Cb 0.23 -0.55 0.30 0.00 -0.26 0.00 0.00 64.21 63.93 3h89 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h89 h TRP 26 N 0.83 0.35 -0.17 0.00 5.08 -1.82 -1.45 115.95 118.77 3h89 h TRP 26 Ca 0.55 0.01 -0.12 0.00 1.08 0.00 0.00 58.89 60.41 3h89 h TRP 26 Cb 0.78 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 3h89 h TRP 26 CO -0.00 0.15 -0.36 0.00 -1.28 0.00 0.00 178.44 176.95 3h89 h ALA 27 N 1.69 0.27 0.00 0.11 0.00 -0.91 -2.43 119.26 117.99 3h89 h ALA 27 Ca 0.31 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3h89 h ALA 27 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h89 h ALA 27 CO -0.08 0.34 -0.35 0.74 0.00 0.00 0.00 179.25 179.90 3h89 h PHE 28 N 0.19 0.00 -0.20 0.00 -1.00 -1.11 -1.30 116.94 113.52 3h89 h PHE 28 Ca 0.00 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.58 3h89 h PHE 28 Cb 0.96 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.52 3h89 h PHE 28 CO 0.10 0.35 -0.67 1.03 -1.61 0.00 0.00 178.31 177.50 3h89 h SER 29 N 0.00 0.94 0.45 2.17 0.87 -1.29 -0.83 113.55 115.87 3h89 h SER 29 Ca -0.00 -0.59 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 3h89 h SER 29 Cb 0.68 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3h89 h SER 29 CO 0.05 1.37 -0.22 0.00 -0.53 0.00 0.00 176.83 177.50 3h89 h ALA 30 N 0.59 -0.61 0.00 6.23 0.00 -1.05 -0.85 119.26 123.57 3h89 h ALA 30 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3h89 h ALA 30 Cb 1.30 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3h89 h ALA 30 CO 0.14 -0.79 -0.15 1.79 0.00 0.00 0.00 179.25 180.25 3h89 h THR 31 N -0.72 0.94 -0.37 0.00 1.35 -1.31 -0.67 112.91 112.13 3h89 h THR 31 Ca -0.06 -0.54 -0.13 0.00 -0.55 0.00 0.00 66.41 65.13 3h89 h THR 31 Cb 0.52 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3h89 h THR 31 CO 0.10 0.14 -0.29 1.23 -0.25 0.00 0.00 175.52 176.46 3h89 h GLY 32 N 0.57 0.85 1.73 5.82 0.00 -0.72 0.04 103.07 111.34 3h89 h GLY 32 Ca -0.00 -0.77 -0.23 0.00 0.00 0.00 0.00 47.33 46.33 3h89 h GLY 32 CO 0.02 0.70 -1.03 0.00 0.00 0.00 0.00 176.54 176.23 3h89 h ALA 33 N 1.01 0.33 -0.06 3.60 0.00 -0.50 -3.09 119.26 120.55 3h89 h ALA 33 Ca 0.08 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 3h89 h ALA 33 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3h89 h ALA 33 CO 0.07 0.97 -0.11 1.25 0.00 0.00 0.00 179.25 181.43 3h89 h LEU 34 N 0.10 0.20 -1.50 0.00 6.46 -1.06 -1.43 115.31 118.07 3h89 h LEU 34 Ca -0.07 -0.55 0.19 0.00 -0.12 0.00 0.00 57.88 57.32 3h89 h LEU 34 Cb 1.71 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.52 3h89 h LEU 34 CO 0.16 0.72 0.58 -0.33 -0.62 0.00 0.00 178.44 178.95 3h89 h GLU 35 N -0.31 0.42 -0.07 1.25 5.08 -1.07 0.48 114.58 120.36 3h89 h GLU 35 Ca 0.00 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3h89 h GLU 35 Cb 0.68 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.84 3h89 h GLU 35 CO 0.02 0.28 -0.45 0.78 -1.00 0.00 0.00 179.01 178.64 3h89 h GLY 36 N 0.43 0.47 0.95 -3.84 0.00 -1.44 -2.96 103.07 96.69 3h89 h GLY 36 Ca 0.45 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3h89 h GLY 36 CO -0.17 0.62 -0.00 1.46 0.00 0.00 0.00 176.54 178.44 3h89 h GLN 37 N -0.04 0.72 0.00 4.80 1.08 0.09 -2.33 115.11 119.44 3h89 h GLN 37 Ca -0.04 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3h89 h GLN 37 Cb 1.12 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3h89 h GLN 37 CO 0.09 0.81 -0.04 0.52 -0.95 0.00 0.00 178.83 179.26 3h89 h MET 38 N 0.55 0.00 0.24 1.46 2.86 -0.23 -2.49 114.93 117.31 3h89 h MET 38 Ca 0.11 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3h89 h MET 38 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3h89 h MET 38 CO 0.02 0.04 -0.11 0.35 1.06 0.00 0.00 176.91 178.27 3h89 h PHE 39 N 0.00 -0.30 0.00 -0.22 3.57 -1.25 0.10 116.94 118.85 3h89 h PHE 39 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3h89 h PHE 39 Cb 0.15 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3h89 h PHE 39 CO 0.00 0.04 0.26 -0.09 -2.23 0.00 0.00 178.31 176.29 3h89 h ARG 40 N -0.96 0.00 0.00 1.11 2.43 -1.14 0.71 114.38 116.52 3h89 h ARG 40 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3h89 h ARG 40 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3h89 h ARG 40 CO 0.05 0.00 -0.23 1.17 -1.51 0.00 0.00 179.97 179.45 3h89 n LYS 41 N -2.14 0.16 0.09 0.20 4.81 -0.97 -4.72 118.16 115.59 3h89 n LYS 41 Ca -0.01 0.25 0.02 0.00 -0.87 0.00 0.00 58.31 57.70 3h89 n LYS 41 Cb 0.29 -0.98 -0.03 0.00 0.02 0.00 0.00 35.03 34.33 3h89 n LYS 41 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3h89 h THR 42 N -0.34 0.67 0.00 3.15 1.35 -0.56 -3.48 112.91 113.70 3h89 h THR 42 Ca 0.00 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 3h89 h THR 42 Cb 0.23 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3h89 h THR 42 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 3h89 n GLY 43 N 1.30 0.75 3.38 5.82 0.00 0.24 -5.04 105.19 111.64 3h89 n GLY 43 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3h89 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h89 s ARG 44 N -0.46 1.42 -0.22 1.61 0.52 -1.26 -5.03 118.95 115.53 3h89 s ARG 44 Ca 0.00 -1.32 -0.05 0.00 -0.52 0.00 0.00 55.73 53.85 3h89 s ARG 44 Cb 0.00 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.58 3h89 s ARG 44 CO 0.00 0.45 -0.01 -1.17 0.02 0.00 0.00 175.30 174.59 3h89 s LEU 45 N -1.97 3.08 -0.14 2.53 2.96 -1.26 -3.99 118.68 119.89 3h89 s LEU 45 Ca 0.13 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3h89 s LEU 45 Cb -0.10 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.83 3h89 s LEU 45 CO 0.06 -0.00 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.42 3h89 s ILE 46 N 1.38 0.86 -0.19 6.68 1.01 -1.26 -5.09 121.20 124.60 3h89 s ILE 46 Ca 0.05 -0.39 -0.32 0.00 0.00 0.00 0.00 60.65 59.99 3h89 s ILE 46 Cb -0.14 -1.05 -0.09 0.00 0.01 0.00 0.00 42.46 41.19 3h89 s ILE 46 CO -0.00 0.16 2.10 -0.24 0.00 0.00 0.00 174.94 176.96 3h89 n SER 47 N 4.97 3.15 -4.90 3.58 2.88 -1.26 -4.85 113.62 117.19 3h89 n SER 47 Ca -0.11 0.53 -0.29 0.00 -1.33 0.00 0.00 58.87 57.68 3h89 n SER 47 Cb 0.49 -1.44 0.07 0.00 -0.75 0.00 0.00 64.21 62.58 3h89 n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3h89 s LEU 48 N 6.56 2.72 -0.30 2.46 1.43 -1.26 0.49 118.68 130.79 3h89 s LEU 48 Ca 1.00 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 54.76 3h89 s LEU 48 Cb -0.56 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 3h89 s LEU 48 CO 0.44 -1.63 0.45 -0.55 0.23 0.00 0.00 176.35 175.29 3h89 s SER 49 N -4.48 6.31 0.08 2.29 0.15 -0.54 -3.65 113.70 113.85 3h89 s SER 49 Ca 0.60 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.49 3h89 s SER 49 Cb -0.11 -2.24 -0.24 0.00 -1.71 0.00 0.00 66.02 61.72 3h89 s SER 49 CO 0.49 -0.31 1.13 -0.33 1.20 0.00 0.00 173.24 175.42 3h89 h GLU 50 N 8.24 0.11 -0.20 5.44 3.07 -1.89 -3.25 114.58 126.09 3h89 h GLU 50 Ca -0.30 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 3h89 h GLU 50 Cb 1.14 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3h89 h GLU 50 CO 0.70 1.03 -0.16 0.37 -1.40 0.00 0.00 179.01 179.56 3h89 h GLN 51 N 0.03 0.34 -0.13 2.33 5.75 -1.83 -1.70 115.11 119.90 3h89 h GLN 51 Ca -0.10 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.30 3h89 h GLN 51 Cb 1.88 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.39 3h89 h GLN 51 CO 0.15 0.49 0.07 -0.97 -2.65 0.00 0.00 178.83 175.92 3h89 h ASN 52 N 0.31 0.17 -0.54 -0.69 -0.00 -1.82 -0.70 115.58 112.31 3h89 h ASN 52 Ca 0.06 -0.11 -0.06 0.00 -0.00 0.00 0.00 56.30 56.19 3h89 h ASN 52 Cb 0.46 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.72 3h89 h ASN 52 CO 0.03 0.23 0.11 -0.07 -0.00 0.00 0.00 177.43 177.73 3h89 h LEU 53 N 0.09 0.88 -0.64 0.34 3.38 -1.58 -2.14 115.31 115.65 3h89 h LEU 53 Ca 0.04 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3h89 h LEU 53 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3h89 h LEU 53 CO -0.01 0.87 0.29 0.58 0.09 0.00 0.00 178.44 180.27 3h89 h VAL 54 N 0.88 1.22 0.00 1.22 2.07 -0.84 -0.21 116.25 120.60 3h89 h VAL 54 Ca 0.18 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3h89 h VAL 54 Cb 0.36 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3h89 h VAL 54 CO 0.01 0.26 -0.80 0.44 0.02 0.00 0.00 177.57 177.50 3h89 h ASP 55 N 0.88 0.00 0.00 0.57 3.32 -1.09 -3.38 116.42 116.73 3h89 h ASP 55 Ca 0.22 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3h89 h ASP 55 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h89 h ASP 55 CO -0.02 0.09 -1.21 0.00 -1.72 0.00 0.00 179.24 176.38 3h89 n SER 57 N -1.66 0.00 -0.06 0.00 3.41 -0.09 -4.08 113.62 111.12 3h89 n SER 57 Ca -0.01 -1.73 -0.07 0.00 -0.26 0.00 0.00 58.87 56.80 3h89 n SER 57 Cb 0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3h89 n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h89 h GLY 58 N 5.44 0.15 1.56 5.00 0.00 -1.80 -0.39 103.07 113.04 3h89 h GLY 58 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3h89 h GLY 58 CO 0.00 -0.12 0.06 -1.05 0.00 0.00 0.00 176.54 175.42 3h89 n PRO 59 N -5.26 0.00 0.00 4.80 -0.02 -1.26 -0.24 135.00 133.02 3h89 n PRO 59 Ca -0.01 0.35 0.10 0.00 -2.02 0.00 0.00 63.50 61.93 3h89 n PRO 59 Cb 0.18 -1.56 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3h89 n PRO 59 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3h89 n GLN 60 N -1.34 1.62 0.00 -0.52 3.00 -0.16 -4.97 117.38 115.01 3h89 n GLN 60 Ca 0.00 -1.27 0.00 0.00 -0.01 0.00 0.00 57.00 55.72 3h89 n GLN 60 Cb 0.06 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 28.88 3h89 n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h89 n GLY 61 N 1.29 0.95 3.86 1.08 0.00 0.67 -4.82 105.19 108.22 3h89 n GLY 61 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3h89 n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h89 s ASN 62 N -1.54 6.50 -0.45 1.61 0.01 -1.17 -4.86 114.94 115.04 3h89 s ASN 62 Ca 0.00 1.32 0.06 0.00 -0.71 0.00 0.00 52.86 53.53 3h89 s ASN 62 Cb 0.00 -2.41 0.41 0.00 0.41 0.00 0.00 41.25 39.66 3h89 s ASN 62 CO 0.00 -0.55 1.06 -0.62 -1.51 0.00 0.00 177.10 175.48 3h89 n GLU 63 N -1.68 3.12 0.00 -0.60 -0.58 0.24 -4.25 120.64 116.88 3h89 n GLU 63 Ca 0.04 -4.42 0.00 0.00 -0.42 0.00 0.00 57.16 52.36 3h89 n GLU 63 Cb 0.54 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.27 3h89 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h89 n GLY 64 N -0.38 2.87 0.00 0.62 0.00 -1.23 -0.19 105.19 106.88 3h89 n GLY 64 Ca 0.34 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.59 3h89 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h89 n ASN 66 N -1.08 2.15 0.00 0.00 3.02 0.74 -0.63 115.26 119.46 3h89 n ASN 66 Ca 0.20 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 3h89 n ASN 66 Cb 0.14 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 3h89 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h89 n GLY 67 N 1.32 3.05 0.00 7.41 0.00 -1.10 -4.90 105.19 110.97 3h89 n GLY 67 Ca 0.14 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3h89 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 68 N -1.79 -1.88 3.27 -0.02 0.00 -1.26 0.80 105.19 104.29 3h89 n GLY 68 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 3h89 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h89 s LEU 69 N 0.00 2.40 0.15 0.99 1.43 -1.26 -4.77 118.68 117.62 3h89 s LEU 69 Ca 0.00 -0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 3h89 s LEU 69 Cb 0.00 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.57 3h89 s LEU 69 CO 0.00 -0.10 1.45 0.24 0.23 0.00 0.00 176.35 178.16 3h89 h MET 70 N 3.50 0.77 -0.55 1.70 2.86 -1.98 -2.66 114.93 118.58 3h89 h MET 70 Ca -0.41 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 56.71 3h89 h MET 70 Cb 1.20 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 3h89 h MET 70 CO 0.50 1.11 0.19 -0.44 1.06 0.00 0.00 176.91 179.33 3h89 h ASP 71 N 0.60 0.73 -0.52 1.22 3.32 -1.96 -0.35 116.42 119.46 3h89 h ASP 71 Ca 0.02 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3h89 h ASP 71 Cb 1.12 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3h89 h ASP 71 CO 0.11 0.68 0.26 1.88 -1.72 0.00 0.00 179.24 180.46 3h89 h TYR 72 N 0.79 0.73 -0.72 4.55 0.05 -1.84 -0.40 116.97 120.13 3h89 h TYR 72 Ca 0.18 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.88 3h89 h TYR 72 Cb 0.20 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3h89 h TYR 72 CO 0.01 0.56 0.22 0.00 -1.05 0.00 0.00 178.16 177.90 3h89 h ALA 73 N 1.10 0.94 -0.17 3.88 0.00 -1.03 -0.67 119.26 123.31 3h89 h ALA 73 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3h89 h ALA 73 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h89 h ALA 73 CO -0.02 0.62 0.10 0.74 0.00 0.00 0.00 179.25 180.69 3h89 h PHE 74 N 1.06 0.23 -0.46 0.00 0.04 -0.70 -1.46 116.94 115.65 3h89 h PHE 74 Ca 0.23 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.09 3h89 h PHE 74 Cb 0.31 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 3h89 h PHE 74 CO 0.02 0.20 -0.02 0.37 -0.60 0.00 0.00 178.31 178.28 3h89 h GLN 75 N 0.18 0.09 -0.41 1.51 5.75 -0.78 -0.53 115.11 120.93 3h89 h GLN 75 Ca 0.06 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.64 3h89 h GLN 75 Cb 0.05 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.48 3h89 h GLN 75 CO -0.01 0.06 -0.31 -0.92 -2.65 0.00 0.00 178.83 174.99 3h89 h TYR 76 N 0.09 -0.86 -0.18 3.99 3.20 -0.34 0.43 116.97 123.29 3h89 h TYR 76 Ca 0.23 0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.21 3h89 h TYR 76 Cb 0.34 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 3h89 h TYR 76 CO -0.31 -0.37 0.15 0.28 -1.64 0.00 0.00 178.16 176.26 3h89 h VAL 77 N -0.23 0.72 0.02 1.81 2.07 -0.14 0.40 116.25 120.90 3h89 h VAL 77 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 3h89 h VAL 77 Cb 0.53 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3h89 h VAL 77 CO -0.54 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 176.43 3h89 h GLN 78 N 0.00 -0.02 0.00 1.57 4.15 0.77 0.26 115.11 121.84 3h89 h GLN 78 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3h89 h GLN 78 Cb 0.38 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.08 3h89 h GLN 78 CO -0.00 0.59 0.00 -0.25 -1.93 0.00 0.00 178.83 177.24 3h89 n ASP 79 N -4.70 0.13 -0.00 -0.69 8.00 0.11 -1.31 116.55 118.09 3h89 n ASP 79 Ca -0.07 0.54 0.06 0.00 0.71 0.00 0.00 54.79 56.03 3h89 n ASP 79 Cb 0.30 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 3h89 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3h89 n ASN 80 N -1.66 1.19 -3.89 -2.24 5.15 0.14 -5.03 115.26 108.93 3h89 n ASN 80 Ca 0.02 -0.48 -0.38 0.00 -0.60 0.00 0.00 54.58 53.13 3h89 n ASN 80 Cb 0.12 1.21 0.03 0.00 -0.53 0.00 0.00 39.78 40.60 3h89 n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h89 n GLY 81 N 1.48 -0.86 0.00 8.20 0.00 0.89 -4.87 105.19 110.03 3h89 n GLY 81 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3h89 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 82 N -1.91 4.61 2.94 -0.02 0.00 -0.98 -5.03 105.19 104.80 3h89 n GLY 82 Ca -0.12 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 3h89 n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h89 s LEU 83 N 0.00 1.43 0.65 0.99 2.96 -0.85 -4.77 118.68 119.09 3h89 s LEU 83 Ca 0.00 0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.95 3h89 s LEU 83 Cb 0.00 0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.96 3h89 s LEU 83 CO 0.00 -0.06 1.08 -1.81 -1.32 0.00 0.00 176.35 174.24 3h89 s ASP 84 N 0.36 5.33 0.80 3.68 1.11 -1.26 -1.68 116.67 125.02 3h89 s ASP 84 Ca -0.03 1.87 -0.12 0.00 0.18 0.00 0.00 52.55 54.46 3h89 s ASP 84 Cb -0.04 -2.54 0.07 0.00 1.07 0.00 0.00 42.92 41.49 3h89 s ASP 84 CO -0.01 -1.48 1.11 -0.94 1.18 0.00 0.00 175.17 175.02 3h89 s SER 85 N -2.87 4.52 0.18 0.27 1.04 -1.04 -1.47 113.70 114.32 3h89 s SER 85 Ca 0.64 1.21 -0.09 0.00 0.48 0.00 0.00 55.95 58.19 3h89 s SER 85 Cb -0.18 -1.92 0.05 0.00 0.10 0.00 0.00 66.02 64.07 3h89 s SER 85 CO 0.43 -1.94 1.61 -0.08 0.98 0.00 0.00 173.24 174.24 3h89 h GLU 86 N -1.07 1.06 0.37 4.02 4.57 -0.03 -0.37 114.58 123.14 3h89 h GLU 86 Ca -0.47 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.33 3h89 h GLU 86 Cb 1.28 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3h89 h GLU 86 CO 0.61 1.07 -0.24 1.49 -1.18 0.00 0.00 179.01 180.76 3h89 h GLU 87 N 0.95 -0.57 -0.42 1.92 4.81 -1.90 -2.96 114.58 116.41 3h89 h GLU 87 Ca 0.16 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3h89 h GLU 87 Cb 0.63 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 3h89 h GLU 87 CO 0.04 -0.38 -0.15 0.66 -0.73 0.00 0.00 179.01 178.45 3h89 h SER 88 N -0.59 0.78 -3.44 1.04 4.64 -1.91 -3.36 113.55 110.71 3h89 h SER 88 Ca -0.04 -0.25 -0.63 0.00 -0.47 0.00 0.00 61.79 60.40 3h89 h SER 88 Cb 0.49 -0.21 -0.41 0.00 -0.31 0.00 0.00 62.40 61.96 3h89 h SER 88 CO 0.03 0.93 -0.57 -0.47 -0.87 0.00 0.00 176.83 175.89 3h89 s TYR 89 N -4.73 3.49 0.59 4.77 6.14 -0.16 -4.97 117.35 122.49 3h89 s TYR 89 Ca -0.09 -3.29 -0.19 0.00 0.64 0.00 0.00 57.07 54.14 3h89 s TYR 89 Cb 0.14 -2.76 -0.04 0.00 0.42 0.00 0.00 41.96 39.71 3h89 s TYR 89 CO 0.83 -0.60 1.12 -2.30 0.64 0.00 0.00 175.55 175.24 3h89 n PRO 90 N 2.27 1.11 -2.93 4.97 -0.02 -1.12 -4.55 135.00 134.74 3h89 n PRO 90 Ca 0.16 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 3h89 n PRO 90 Cb 0.34 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3h89 n PRO 90 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h89 s TYR 91 N -1.43 3.89 0.00 6.00 5.04 -1.26 -4.66 117.35 124.93 3h89 s TYR 91 Ca 0.76 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 57.08 3h89 s TYR 91 Cb -0.41 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.08 3h89 s TYR 91 CO 0.46 0.47 0.28 0.39 -1.34 0.00 0.00 175.55 175.81 3h89 n GLU 92 N 1.42 -0.37 -2.33 4.97 1.02 -1.26 -5.02 120.64 119.07 3h89 n GLU 92 Ca -0.04 -0.28 -0.21 0.00 -0.02 0.00 0.00 57.16 56.61 3h89 n GLU 92 Cb 0.49 -0.77 -0.02 0.00 -0.02 0.00 0.00 31.44 31.12 3h89 n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h89 n ALA 93 N -0.03 -0.59 -3.56 0.62 0.00 -1.26 -4.95 120.51 110.74 3h89 n ALA 93 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 3h89 n ALA 93 Cb 0.10 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3h89 n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h89 s THR 94 N -3.02 0.00 0.02 0.00 -1.32 -1.26 -4.61 115.64 105.46 3h89 s THR 94 Ca 0.00 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.21 3h89 s THR 94 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 3h89 s THR 94 CO 0.00 0.00 0.87 -0.70 -2.21 0.00 0.00 174.62 172.58 3h89 s GLU 95 N -1.30 4.55 0.42 7.08 2.12 -1.26 -4.96 118.70 125.34 3h89 s GLU 95 Ca -0.03 1.23 0.01 0.00 0.36 0.00 0.00 54.97 56.55 3h89 s GLU 95 Cb -0.00 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3h89 s GLU 95 CO 0.02 0.10 0.05 0.39 -0.54 0.00 0.00 175.26 175.28 3h89 n GLU 96 N 3.39 0.81 -2.33 4.30 -0.58 -1.26 -5.07 120.64 119.90 3h89 n GLU 96 Ca 0.02 -3.19 -0.34 0.00 -0.42 0.00 0.00 57.16 53.23 3h89 n GLU 96 Cb 0.50 1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 32.53 3h89 n GLU 96 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3h89 s SER 97 N -3.37 6.08 0.02 1.62 1.04 -1.26 -4.58 113.70 113.24 3h89 s SER 97 Ca 0.07 1.91 -0.30 0.00 0.48 0.00 0.00 55.95 58.10 3h89 s SER 97 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3h89 s SER 97 CO 0.05 -0.96 1.90 0.00 0.98 0.00 0.00 173.24 175.21 3h89 n LYS 99 N 7.45 2.12 -1.07 0.00 5.02 -1.26 -5.05 118.16 125.37 3h89 n LYS 99 Ca 0.19 -3.37 -0.34 0.00 -2.02 0.00 0.00 58.31 52.78 3h89 n LYS 99 Cb 0.41 -1.89 0.11 0.00 -0.02 0.00 0.00 35.03 33.65 3h89 n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3h89 n TYR 100 N -1.05 0.27 -3.25 2.13 9.36 -1.26 -5.04 117.16 118.31 3h89 n TYR 100 Ca 0.35 0.36 0.03 0.00 3.32 0.00 0.00 57.90 61.96 3h89 n TYR 100 Cb 0.96 -2.00 -0.02 0.00 -0.63 0.00 0.00 39.34 37.66 3h89 n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3h89 s ASN 101 N -1.96 -1.16 0.55 2.98 3.84 -1.26 -5.05 114.94 112.88 3h89 s ASN 101 Ca 0.68 0.92 0.32 0.00 0.21 0.00 0.00 52.86 54.99 3h89 s ASN 101 Cb -0.29 2.05 1.73 0.00 -0.55 0.00 0.00 41.25 44.19 3h89 s ASN 101 CO 0.56 -0.22 1.96 1.55 -2.79 0.00 0.00 177.10 178.16 3h89 h PRO 102 N 7.97 0.00 -0.01 0.43 0.13 -1.97 -2.21 132.00 136.33 3h89 h PRO 102 Ca -0.20 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.78 3h89 h PRO 102 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3h89 h PRO 102 CO 0.17 0.00 -0.66 -0.22 -0.23 0.00 0.00 178.00 177.06 3h89 h LYS 103 N 0.00 0.06 -1.02 0.86 3.64 -2.00 -3.02 116.57 115.09 3h89 h LYS 103 Ca 0.00 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.78 3h89 h LYS 103 Cb 0.27 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 31.81 3h89 h LYS 103 CO 0.00 0.70 0.70 0.66 -2.27 0.00 0.00 179.45 179.24 3h89 n TYR 104 N -3.77 2.98 -3.22 1.91 4.01 -0.83 -4.95 117.16 113.29 3h89 n TYR 104 Ca -0.01 -2.19 -0.39 0.00 -0.16 0.00 0.00 57.90 55.15 3h89 n TYR 104 Cb 0.65 -1.09 -0.06 0.00 -0.31 0.00 0.00 39.34 38.53 3h89 n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h89 s SER 105 N -1.35 7.08 0.00 7.72 0.15 -1.14 -2.48 113.70 123.67 3h89 s SER 105 Ca 0.57 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.50 3h89 s SER 105 Cb 0.47 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 3h89 s SER 105 CO 0.06 0.22 0.00 1.33 1.20 0.00 0.00 173.24 176.05 3h89 n VAL 106 N 1.99 0.00 -4.50 4.45 0.24 -0.67 -4.94 118.33 114.90 3h89 n VAL 106 Ca -0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.96 3h89 n VAL 106 Cb 0.51 -0.40 -0.10 0.00 -1.47 0.00 0.00 33.84 32.37 3h89 n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h89 s ALA 107 N -1.51 2.85 -0.26 2.33 0.00 -1.24 -5.00 121.76 118.94 3h89 s ALA 107 Ca 0.00 -1.98 -0.26 0.00 0.00 0.00 0.00 51.96 49.73 3h89 s ALA 107 Cb 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.05 3h89 s ALA 107 CO 0.00 0.19 0.88 1.21 0.00 0.00 0.00 175.76 178.04 3h89 s ASN 108 N -3.56 -0.58 0.27 0.00 3.04 -1.26 -2.00 114.94 110.86 3h89 s ASN 108 Ca 0.31 1.07 0.06 0.00 0.04 0.00 0.00 52.86 54.34 3h89 s ASN 108 Cb -0.02 1.07 -0.06 0.00 -1.54 0.00 0.00 41.25 40.71 3h89 s ASN 108 CO 0.16 -0.23 -0.04 1.51 -3.04 0.00 0.00 177.10 175.46 3h89 s ASP 109 N 0.14 2.54 -0.46 -4.21 1.47 -1.26 -4.73 116.67 110.16 3h89 s ASP 109 Ca 0.01 -1.22 0.09 0.00 1.18 0.00 0.00 52.55 52.61 3h89 s ASP 109 Cb -0.04 -0.13 0.33 0.00 -0.34 0.00 0.00 42.92 42.74 3h89 s ASP 109 CO -0.02 -0.40 0.79 1.07 0.68 0.00 0.00 175.17 177.29 3h89 n THR 110 N -0.56 1.06 0.00 2.11 5.66 -0.26 -4.20 114.28 118.09 3h89 n THR 110 Ca -0.05 -4.93 0.00 0.00 -3.05 0.00 0.00 64.05 56.02 3h89 n THR 110 Cb 0.64 -0.90 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 3h89 n THR 110 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h89 n GLY 111 N 0.22 -0.77 3.73 1.09 0.00 -1.26 -4.77 105.19 103.42 3h89 n GLY 111 Ca 0.27 -2.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 3h89 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h89 s PHE 112 N 0.00 -0.22 -0.10 1.61 -0.71 -1.26 -2.38 117.98 114.91 3h89 s PHE 112 Ca 0.00 -0.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.79 3h89 s PHE 112 Cb 0.00 0.64 0.02 0.00 -1.21 0.00 0.00 43.02 42.47 3h89 s PHE 112 CO 0.00 -0.95 -0.13 0.08 -1.34 0.00 0.00 175.22 172.89 3h89 s VAL 113 N -3.55 1.30 -0.11 -2.49 1.01 -0.54 -4.90 120.40 111.12 3h89 s VAL 113 Ca 0.10 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3h89 s VAL 113 Cb -0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3h89 s VAL 113 CO 0.01 0.40 0.45 -1.81 0.00 0.00 0.00 175.10 174.15 3h89 s ASP 114 N 1.12 6.66 -0.01 3.32 1.01 -1.26 -2.52 116.67 124.99 3h89 s ASP 114 Ca -0.05 0.78 -0.17 0.00 0.71 0.00 0.00 52.55 53.82 3h89 s ASP 114 Cb -0.14 -2.27 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 3h89 s ASP 114 CO -0.03 0.04 0.49 -0.63 0.21 0.00 0.00 175.17 175.26 3h89 s ILE 115 N 0.46 4.97 0.95 0.77 1.01 -0.52 -5.00 121.20 123.83 3h89 s ILE 115 Ca 0.24 1.02 -0.16 0.00 0.00 0.00 0.00 60.65 61.76 3h89 s ILE 115 Cb -0.15 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.43 3h89 s ILE 115 CO 0.10 0.50 -0.30 -2.65 0.00 0.00 0.00 174.94 172.59 3h89 n PRO 116 N 2.30 -0.08 -2.16 2.79 -0.02 -1.26 -4.62 135.00 131.94 3h89 n PRO 116 Ca -0.11 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 60.96 3h89 n PRO 116 Cb 0.52 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3h89 n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h89 n LYS 117 N 0.86 4.58 -3.83 -0.52 5.02 -1.26 -4.69 118.16 118.32 3h89 n LYS 117 Ca 0.02 -3.68 -0.12 0.00 -2.02 0.00 0.00 58.31 52.51 3h89 n LYS 117 Cb 0.54 -2.64 -0.12 0.00 -0.02 0.00 0.00 35.03 32.79 3h89 n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h89 s GLN 118 N -1.44 0.25 0.27 1.97 1.11 -1.25 -4.84 119.66 115.72 3h89 s GLN 118 Ca 0.49 0.10 -0.02 0.00 0.01 0.00 0.00 55.36 55.94 3h89 s GLN 118 Cb 0.17 0.11 0.46 0.00 -1.01 0.00 0.00 33.01 32.74 3h89 s GLN 118 CO -0.08 -0.04 1.85 0.93 0.01 0.00 0.00 175.29 177.96 3h89 h GLU 119 N 5.57 0.98 -0.77 2.91 5.08 -1.90 -1.91 114.58 124.55 3h89 h GLU 119 Ca -0.26 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3h89 h GLU 119 Cb 1.20 -0.22 -0.08 0.00 0.50 0.00 0.00 28.75 30.15 3h89 h GLU 119 CO 0.41 0.65 0.41 -0.22 -1.00 0.00 0.00 179.01 179.26 3h89 h LYS 120 N 1.01 0.65 -0.44 2.33 3.11 -1.97 -0.41 116.57 120.86 3h89 h LYS 120 Ca 0.45 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 58.13 3h89 h LYS 120 Cb 0.34 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 3h89 h LYS 120 CO -0.23 0.43 -0.22 0.00 -2.81 0.00 0.00 179.45 176.63 3h89 h ALA 121 N 1.46 0.78 -0.47 5.00 0.00 -1.69 -2.79 119.26 121.55 3h89 h ALA 121 Ca 0.38 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h89 h ALA 121 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h89 h ALA 121 CO -0.27 0.66 0.16 1.25 0.00 0.00 0.00 179.25 181.04 3h89 h LEU 122 N 0.78 0.67 -0.70 0.00 5.85 -0.91 -2.41 115.31 118.59 3h89 h LEU 122 Ca 0.10 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3h89 h LEU 122 Cb 0.76 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3h89 h LEU 122 CO 0.06 0.69 0.36 -0.03 -0.34 0.00 0.00 178.44 179.18 3h89 h MET 123 N 0.62 0.60 -0.61 1.25 4.05 -1.00 -0.06 114.93 119.78 3h89 h MET 123 Ca 0.15 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 3h89 h MET 123 Cb 0.24 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 3h89 h MET 123 CO -0.01 0.40 0.16 0.87 0.23 0.00 0.00 176.91 178.56 3h89 h LYS 124 N 0.62 0.94 -0.20 0.39 1.57 -1.23 -2.13 116.57 116.53 3h89 h LYS 124 Ca 0.33 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3h89 h LYS 124 Cb 0.32 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3h89 h LYS 124 CO -0.24 0.83 -0.13 0.00 -0.57 0.00 0.00 179.45 179.34 3h89 h ALA 125 N 1.27 0.28 -0.29 3.86 0.00 -0.80 -2.52 119.26 121.07 3h89 h ALA 125 Ca 0.20 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h89 h ALA 125 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h89 h ALA 125 CO -0.00 0.15 0.19 0.28 0.00 0.00 0.00 179.25 179.87 3h89 h VAL 126 N 0.12 1.03 -0.09 0.00 2.07 -0.93 0.14 116.25 118.59 3h89 h VAL 126 Ca 0.04 -0.11 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 3h89 h VAL 126 Cb 0.64 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3h89 h VAL 126 CO 0.04 0.06 -0.67 0.00 0.02 0.00 0.00 177.57 177.01 3h89 h ALA 127 N 1.83 0.21 -0.24 1.67 0.00 -1.23 -3.25 119.26 118.25 3h89 h ALA 127 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h89 h ALA 127 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h89 h ALA 127 CO -0.02 0.51 0.00 0.25 0.00 0.00 0.00 179.25 179.99 3h89 n THR 128 N -4.09 0.51 0.00 0.00 -2.24 -0.96 -4.72 114.28 102.77 3h89 n THR 128 Ca -0.09 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3h89 n THR 128 Cb 0.69 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3h89 n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h89 n VAL 129 N 0.82 0.00 0.00 2.28 0.31 0.47 -5.06 118.33 117.15 3h89 n VAL 129 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3h89 n VAL 129 Cb 0.42 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 3h89 n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h89 n GLY 130 N 3.13 0.58 3.64 2.92 0.00 -1.23 -4.87 105.19 109.37 3h89 n GLY 130 Ca 0.00 -2.24 -0.50 0.00 0.00 0.00 0.00 46.02 43.29 3h89 n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h89 n PRO 131 N 0.00 1.66 -4.51 1.61 -0.02 -1.26 -4.45 135.00 128.02 3h89 n PRO 131 Ca 0.00 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3h89 n PRO 131 Cb 0.00 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.04 3h89 n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h89 s ILE 132 N 1.19 3.72 -0.06 4.25 -1.09 -0.14 -4.74 121.20 124.33 3h89 s ILE 132 Ca 0.84 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 58.53 3h89 s ILE 132 Cb -0.82 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 3h89 s ILE 132 CO 0.45 0.52 1.05 -0.44 -1.23 0.00 0.00 174.94 175.29 3h89 s SER 133 N 0.08 7.22 0.17 3.58 0.01 -0.11 -0.63 113.70 124.03 3h89 s SER 133 Ca -0.02 1.65 0.02 0.00 1.31 0.00 0.00 55.95 58.91 3h89 s SER 133 Cb -0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.49 3h89 s SER 133 CO 0.03 -0.43 0.01 0.68 0.41 0.00 0.00 173.24 173.94 3h89 s VAL 134 N 1.75 0.62 -0.08 3.43 -7.23 -1.09 -1.24 120.40 116.55 3h89 s VAL 134 Ca 0.51 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3h89 s VAL 134 Cb -0.21 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 3h89 s VAL 134 CO 0.22 -0.46 -0.19 0.00 -0.31 0.00 0.00 175.10 174.35 3h89 s ALA 135 N -3.69 2.41 0.08 1.32 0.00 -1.25 -0.96 121.76 119.66 3h89 s ALA 135 Ca 0.24 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.28 3h89 s ALA 135 Cb 0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3h89 s ALA 135 CO 0.04 0.40 -0.16 0.42 0.00 0.00 0.00 175.76 176.46 3h89 s ILE 136 N -0.15 1.29 -0.80 0.00 1.01 0.26 -4.31 121.20 118.51 3h89 s ILE 136 Ca -0.03 -1.37 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 3h89 s ILE 136 Cb -0.14 -1.21 0.04 0.00 0.01 0.00 0.00 42.46 41.16 3h89 s ILE 136 CO 0.04 -0.17 1.27 -0.62 0.00 0.00 0.00 174.94 175.46 3h89 s ASP 137 N -1.78 6.26 -0.28 3.58 2.15 -0.89 -0.39 116.67 125.31 3h89 s ASP 137 Ca 0.01 -0.80 0.11 0.00 0.43 0.00 0.00 52.55 52.29 3h89 s ASP 137 Cb -0.10 -2.54 0.58 0.00 -0.30 0.00 0.00 42.92 40.57 3h89 s ASP 137 CO 0.03 -1.69 1.58 0.00 -0.17 0.00 0.00 175.17 174.92 3h89 n ALA 138 N 8.96 4.12 0.27 3.66 0.00 -1.26 -4.76 120.51 131.50 3h89 n ALA 138 Ca 0.10 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.84 3h89 n ALA 138 Cb 0.49 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3h89 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h89 n GLY 139 N -0.74 1.91 3.07 0.00 0.00 -1.26 -4.83 105.19 103.34 3h89 n GLY 139 Ca 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 3h89 n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h89 s HIS 140 N 0.23 0.56 0.31 1.61 3.76 -1.26 -5.04 115.29 115.46 3h89 s HIS 140 Ca 0.00 -0.75 0.04 0.00 -0.15 0.00 0.00 55.06 54.20 3h89 s HIS 140 Cb 0.00 -0.36 0.64 0.00 1.11 0.00 0.00 32.58 33.97 3h89 s HIS 140 CO 0.00 -0.21 1.86 1.49 -0.85 0.00 0.00 174.74 177.03 3h89 h GLU 141 N 3.85 0.87 0.00 1.40 4.81 -2.01 -1.70 114.58 121.80 3h89 h GLU 141 Ca -0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3h89 h GLU 141 Cb 1.18 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.36 3h89 h GLU 141 CO 0.53 0.58 -0.03 0.66 -0.73 0.00 0.00 179.01 180.02 3h89 h SER 142 N 0.90 0.00 0.12 1.04 4.64 -1.96 -2.63 113.55 115.66 3h89 h SER 142 Ca 0.46 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.50 3h89 h SER 142 Cb 0.51 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3h89 h SER 142 CO -0.22 0.03 -1.15 0.15 -0.87 0.00 0.00 176.83 174.76 3h89 h PHE 143 N 0.00 0.98 0.00 4.77 3.57 -1.63 -2.83 116.94 121.79 3h89 h PHE 143 Ca -0.00 -0.58 -0.05 0.00 3.53 0.00 0.00 57.97 60.87 3h89 h PHE 143 Cb 0.41 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3h89 h PHE 143 CO 0.00 1.42 -0.25 -0.07 -2.23 0.00 0.00 178.31 177.18 3h89 h LEU 144 N 0.31 0.00 -2.68 0.59 -0.00 -1.46 -2.78 115.31 109.29 3h89 h LEU 144 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.72 3h89 h LEU 144 Cb 1.82 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.48 3h89 h LEU 144 CO 0.22 0.25 0.00 0.49 -0.00 0.00 0.00 178.44 179.40 3h89 n PHE 145 N -4.18 0.90 -1.69 1.13 3.72 -1.07 -4.93 117.46 111.33 3h89 n PHE 145 Ca -0.02 -0.45 -0.44 0.00 -0.05 0.00 0.00 57.45 56.48 3h89 n PHE 145 Cb 0.30 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3h89 n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3h89 n TYR 146 N 1.63 2.45 -0.01 1.38 9.36 -1.05 -4.89 117.16 126.03 3h89 n TYR 146 Ca 0.24 0.22 -0.04 0.00 3.32 0.00 0.00 57.90 61.63 3h89 n TYR 146 Cb 0.62 -2.58 -0.01 0.00 -0.63 0.00 0.00 39.34 36.74 3h89 n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3h89 n LYS 147 N 3.35 0.10 -3.79 2.98 5.02 -1.26 -1.78 118.16 122.78 3h89 n LYS 147 Ca 0.16 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.44 3h89 n LYS 147 Cb 0.31 -0.66 -0.01 0.00 -0.02 0.00 0.00 35.03 34.65 3h89 n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3h89 s GLU 148 N -2.11 1.37 0.01 1.97 4.04 -1.26 -2.74 118.70 119.99 3h89 s GLU 148 Ca -0.06 -0.78 0.00 0.00 0.04 0.00 0.00 54.97 54.17 3h89 s GLU 148 Cb 0.02 0.46 0.00 0.00 0.02 0.00 0.00 34.13 34.63 3h89 s GLU 148 CO 0.08 -0.63 0.00 0.41 -1.84 0.00 0.00 175.26 173.28 3h89 n GLY 149 N -0.49 -3.85 3.57 -3.83 0.00 -1.26 -4.84 105.19 94.49 3h89 n GLY 149 Ca -0.05 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3h89 n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h89 s ILE 150 N -0.93 4.47 0.20 -0.61 1.01 -1.26 -4.09 121.20 119.99 3h89 s ILE 150 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 3h89 s ILE 150 Cb 0.00 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 3h89 s ILE 150 CO 0.00 -0.80 1.40 -0.47 0.00 0.00 0.00 174.94 175.07 3h89 s TYR 151 N 3.76 3.14 -0.27 3.97 5.04 0.19 -4.81 117.35 128.38 3h89 s TYR 151 Ca 0.38 1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 3h89 s TYR 151 Cb -0.10 -3.73 0.15 0.00 0.35 0.00 0.00 41.96 38.63 3h89 s TYR 151 CO 0.25 -2.43 0.42 0.12 -1.34 0.00 0.00 175.55 172.57 3h89 s PHE 152 N 0.34 -1.00 -0.40 4.97 5.36 -1.26 -1.80 117.98 124.19 3h89 s PHE 152 Ca 0.60 0.77 -0.13 0.00 -0.96 0.00 0.00 56.93 57.21 3h89 s PHE 152 Cb -0.39 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.35 3h89 s PHE 152 CO 0.38 -0.83 0.26 -2.00 -1.46 0.00 0.00 175.22 171.56 3h89 s GLU 153 N 2.59 2.87 0.62 10.12 2.56 -1.26 -4.96 118.70 131.23 3h89 s GLU 153 Ca 0.13 -1.10 0.29 0.00 0.00 0.00 0.00 54.97 54.28 3h89 s GLU 153 Cb -0.14 -3.85 1.55 0.00 2.00 0.00 0.00 34.13 33.68 3h89 s GLU 153 CO -0.21 -0.76 1.93 -1.35 -0.56 0.00 0.00 175.26 174.31 3h89 h PRO 154 N 8.53 0.00 -0.23 4.30 0.11 -2.05 0.33 132.00 143.00 3h89 h PRO 154 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3h89 h PRO 154 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h89 h PRO 154 CO 0.71 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.03 3h89 n ASP 155 N -3.43 2.61 -4.75 -2.05 2.03 -1.26 -4.97 116.55 104.73 3h89 n ASP 155 Ca 0.04 -1.86 -0.37 0.00 0.52 0.00 0.00 54.79 53.12 3h89 n ASP 155 Cb 0.52 -0.14 0.04 0.00 -0.72 0.00 0.00 41.12 40.82 3h89 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h89 s SER 157 N -1.34 3.11 -0.21 0.00 0.15 -1.26 -4.70 113.70 109.44 3h89 s SER 157 Ca 0.76 -0.82 0.15 0.00 0.70 0.00 0.00 55.95 56.74 3h89 s SER 157 Cb -0.35 -0.21 0.57 0.00 -1.71 0.00 0.00 66.02 64.32 3h89 s SER 157 CO 0.39 0.08 1.49 -1.54 1.20 0.00 0.00 173.24 174.86 3h89 n SER 158 N 0.49 3.93 0.00 5.45 3.41 -1.26 -3.25 113.62 122.39 3h89 n SER 158 Ca -0.15 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.33 3h89 n SER 158 Cb 0.55 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3h89 n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h89 n GLU 159 N -0.48 2.39 -1.33 4.33 1.02 -1.26 -4.65 120.64 120.66 3h89 n GLU 159 Ca 0.25 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 3h89 n GLU 159 Cb 0.98 -0.80 0.11 0.00 -0.02 0.00 0.00 31.44 31.72 3h89 n GLU 159 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h89 n ASP 160 N -0.93 4.14 -4.56 1.62 5.75 -1.26 -5.05 116.55 116.27 3h89 n ASP 160 Ca 0.00 -3.79 -0.53 0.00 -0.01 0.00 0.00 54.79 50.46 3h89 n ASP 160 Cb 0.02 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.48 3h89 n ASP 160 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3h89 n MET 161 N -0.94 0.84 0.00 0.11 2.81 -1.26 -4.78 117.12 113.90 3h89 n MET 161 Ca 0.41 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.60 3h89 n MET 161 Cb 0.93 -1.84 -0.00 0.00 -0.71 0.00 0.00 33.22 31.59 3h89 n MET 161 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3h89 n ASP 162 N 2.13 0.53 -4.07 7.83 5.68 -0.73 -4.86 116.55 123.06 3h89 n ASP 162 Ca 0.18 -0.76 -0.30 0.00 -0.50 0.00 0.00 54.79 53.41 3h89 n ASP 162 Cb 0.18 0.52 -0.17 0.00 -1.14 0.00 0.00 41.12 40.52 3h89 n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3h89 s HIS 163 N -0.60 2.14 -0.23 2.11 2.46 0.47 -4.94 115.29 116.71 3h89 s HIS 163 Ca 0.01 -1.07 -0.18 0.00 0.47 0.00 0.00 55.06 54.29 3h89 s HIS 163 Cb 0.01 -1.53 -0.03 0.00 -0.13 0.00 0.00 32.58 30.90 3h89 s HIS 163 CO 0.02 -0.54 0.53 0.20 -2.47 0.00 0.00 174.74 172.48 3h89 s GLY 164 N 1.07 1.96 0.00 1.59 0.00 -1.26 0.92 107.32 111.60 3h89 s GLY 164 Ca -0.04 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3h89 s GLY 164 CO -0.04 1.17 0.00 3.33 0.00 0.00 0.00 173.10 177.56 3h89 n VAL 165 N 4.83 0.00 -3.78 1.40 0.24 -0.13 -4.55 118.33 116.33 3h89 n VAL 165 Ca -0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.12 3h89 n VAL 165 Cb 0.50 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.72 3h89 n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3h89 s LEU 166 N 0.00 1.12 -0.29 1.34 2.96 -0.60 -2.68 118.68 120.53 3h89 s LEU 166 Ca 0.00 0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.92 3h89 s LEU 166 Cb 0.00 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.74 3h89 s LEU 166 CO 0.00 -0.11 0.20 -0.69 -1.32 0.00 0.00 176.35 174.42 3h89 s VAL 167 N 0.90 5.31 -1.47 1.68 1.01 0.20 0.14 120.40 128.17 3h89 s VAL 167 Ca -0.07 0.12 0.15 0.00 0.00 0.00 0.00 61.98 62.17 3h89 s VAL 167 Cb -0.10 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3h89 s VAL 167 CO -0.03 0.21 0.84 1.33 0.00 0.00 0.00 175.10 177.45 3h89 n VAL 168 N 5.07 0.00 -3.26 2.92 0.24 0.20 -0.97 118.33 122.53 3h89 n VAL 168 Ca -0.14 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3h89 n VAL 168 Cb 0.52 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.09 3h89 n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h89 n GLY 169 N 1.04 -1.13 3.51 7.63 0.00 -1.16 -1.50 105.19 113.58 3h89 n GLY 169 Ca 0.07 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 3h89 n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h89 s TYR 170 N -3.00 -0.41 0.00 1.61 -0.85 -0.01 0.55 117.35 115.24 3h89 s TYR 170 Ca 0.00 0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 3h89 s TYR 170 Cb 0.00 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.85 3h89 s TYR 170 CO 0.00 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 3h89 n GLY 171 N 0.07 1.39 3.39 5.49 0.00 -1.03 -0.53 105.19 113.97 3h89 n GLY 171 Ca -0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3h89 n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h89 s PHE 172 N -1.73 0.39 -0.17 1.61 -0.71 -1.26 -2.44 117.98 113.67 3h89 s PHE 172 Ca 0.00 -0.75 -0.03 0.00 -1.04 0.00 0.00 56.93 55.11 3h89 s PHE 172 Cb 0.00 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.78 3h89 s PHE 172 CO 0.00 -0.78 -0.04 -1.21 -1.34 0.00 0.00 175.22 171.85 3h89 s GLU 173 N -3.98 3.59 -0.04 1.99 2.02 -1.26 -5.01 118.70 116.01 3h89 s GLU 173 Ca 0.19 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 3h89 s GLU 173 Cb 0.02 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 3h89 s GLU 173 CO 0.02 0.15 0.89 0.43 0.02 0.00 0.00 175.26 176.77 3h89 n SER 174 N 3.80 0.35 0.00 -0.19 7.64 -1.26 -4.92 113.62 119.04 3h89 n SER 174 Ca -0.17 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 57.90 3h89 n SER 174 Cb 0.52 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3h89 n SER 174 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h89 n ASN 180 N 4.03 0.00 -4.90 6.43 6.94 -1.26 -5.33 115.26 121.17 3h89 n ASN 180 Ca 0.03 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.31 3h89 n ASN 180 Cb 0.03 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.44 3h89 n ASN 180 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3h89 s LYS 181 N 0.00 3.60 -0.13 -3.83 -0.14 -1.26 -4.30 119.74 113.68 3h89 s LYS 181 Ca 0.00 0.26 -0.31 0.00 -1.36 0.00 0.00 55.97 54.56 3h89 s LYS 181 Cb 0.00 -2.38 0.13 0.00 -1.68 0.00 0.00 37.83 33.89 3h89 s LYS 181 CO 0.00 -0.16 1.05 1.52 -0.76 0.00 0.00 175.35 177.00 3h89 s TYR 182 N -2.64 -0.28 -0.09 3.18 -0.85 -1.02 -2.64 117.35 113.00 3h89 s TYR 182 Ca 0.48 0.32 -0.03 0.00 -0.52 0.00 0.00 57.07 57.32 3h89 s TYR 182 Cb -0.10 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3h89 s TYR 182 CO 0.41 -0.34 0.05 -1.58 -1.52 0.00 0.00 175.55 172.57 3h89 s TRP 183 N -2.02 3.31 -0.46 -3.49 0.52 0.21 -2.46 118.94 114.55 3h89 s TRP 183 Ca 0.04 0.31 -0.25 0.00 0.02 0.00 0.00 56.10 56.21 3h89 s TRP 183 Cb -0.01 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 3h89 s TRP 183 CO -0.04 0.56 0.92 -0.51 0.02 0.00 0.00 176.95 177.90 3h89 s LEU 184 N -0.97 4.02 -0.14 2.99 1.43 0.19 -1.88 118.68 124.31 3h89 s LEU 184 Ca 0.14 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 3h89 s LEU 184 Cb -0.12 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 3h89 s LEU 184 CO 0.03 -1.03 -0.17 -0.69 0.23 0.00 0.00 176.35 174.72 3h89 s VAL 185 N 3.72 2.52 0.02 -1.59 1.01 -0.64 0.61 120.40 126.04 3h89 s VAL 185 Ca 0.37 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3h89 s VAL 185 Cb -0.10 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 3h89 s VAL 185 CO 0.26 0.53 0.52 -0.75 0.00 0.00 0.00 175.10 175.66 3h89 s LYS 186 N 0.74 4.17 0.46 2.72 2.20 0.37 -1.51 119.74 128.89 3h89 s LYS 186 Ca -0.07 0.62 0.05 0.00 -0.36 0.00 0.00 55.97 56.21 3h89 s LYS 186 Cb -0.16 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3h89 s LYS 186 CO 0.01 0.54 0.15 1.21 -0.36 0.00 0.00 175.35 176.89 3h89 s ASN 187 N -0.71 4.29 -0.25 1.43 3.84 -1.04 -1.56 114.94 120.95 3h89 s ASN 187 Ca 0.28 -1.30 0.10 0.00 0.21 0.00 0.00 52.86 52.15 3h89 s ASN 187 Cb -0.18 -0.08 0.45 0.00 -0.55 0.00 0.00 41.25 40.89 3h89 s ASN 187 CO 0.16 -0.69 1.20 -1.54 -2.79 0.00 0.00 177.10 173.43 3h89 n SER 188 N -1.28 3.51 -1.28 -4.21 3.41 -1.26 -4.49 113.62 108.02 3h89 n SER 188 Ca -0.06 -3.67 -0.04 0.00 -0.26 0.00 0.00 58.87 54.84 3h89 n SER 188 Cb 0.66 -0.41 0.22 0.00 -0.26 0.00 0.00 64.21 64.41 3h89 n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3h89 n TRP 189 N -0.81 1.38 0.00 7.33 8.01 -1.23 0.14 117.44 132.26 3h89 n TRP 189 Ca 0.32 -1.43 0.00 0.00 -1.31 0.00 0.00 57.50 55.08 3h89 n TRP 189 Cb 0.87 -0.52 0.00 0.00 -2.01 0.00 0.00 31.31 29.65 3h89 n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3h89 n GLY 190 N -0.92 -1.74 0.31 6.99 0.00 -0.88 -4.46 105.19 104.48 3h89 n GLY 190 Ca 0.34 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.97 3h89 n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3h89 n GLU 191 N -2.20 1.42 -0.01 1.61 0.28 -1.26 -3.69 120.64 116.80 3h89 n GLU 191 Ca 0.00 -0.61 0.14 0.00 -0.16 0.00 0.00 57.16 56.52 3h89 n GLU 191 Cb 0.00 -1.46 0.46 0.00 1.43 0.00 0.00 31.44 31.87 3h89 n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3h89 n GLU 192 N -0.24 1.76 -4.08 3.44 -0.58 -1.26 -3.50 120.64 116.17 3h89 n GLU 192 Ca 0.20 -1.10 -0.31 0.00 -0.42 0.00 0.00 57.16 55.52 3h89 n GLU 192 Cb 0.25 -1.47 -0.07 0.00 -0.57 0.00 0.00 31.44 29.58 3h89 n GLU 192 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3h89 s TRP 193 N -1.98 3.20 0.00 -0.32 -0.00 -1.24 -4.95 118.94 113.65 3h89 s TRP 193 Ca 0.36 0.11 0.00 0.00 -0.00 0.00 0.00 56.10 56.57 3h89 s TRP 193 Cb 0.21 -1.65 0.00 0.00 -0.00 0.00 0.00 33.47 32.03 3h89 s TRP 193 CO 0.33 0.52 0.00 0.41 -0.00 0.00 0.00 176.95 178.21 3h89 n GLY 194 N 0.69 1.41 3.48 5.86 0.00 -0.73 -0.22 105.19 115.67 3h89 n GLY 194 Ca -0.10 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 3h89 n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h89 s MET 195 N 0.00 3.77 -1.56 1.61 -1.94 0.17 -4.25 119.30 117.10 3h89 s MET 195 Ca 0.00 -1.94 -0.03 0.00 -1.71 0.00 0.00 55.69 52.01 3h89 s MET 195 Cb 0.00 -5.06 0.01 0.00 2.01 0.00 0.00 34.83 31.79 3h89 s MET 195 CO 0.00 -1.86 0.34 0.41 -0.01 0.00 0.00 175.02 173.89 3h89 n GLY 196 N 5.26 -0.51 1.20 -0.03 0.00 -1.24 -0.46 105.19 109.41 3h89 n GLY 196 Ca 0.31 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3h89 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h89 n GLY 197 N -1.25 0.71 3.74 -0.02 0.00 0.69 -4.61 105.19 104.45 3h89 n GLY 197 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3h89 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h89 s TYR 198 N -2.79 2.69 -0.08 1.61 1.51 0.39 -2.48 117.35 118.20 3h89 s TYR 198 Ca 0.00 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.52 3h89 s TYR 198 Cb 0.00 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.13 3h89 s TYR 198 CO 0.00 0.27 0.28 0.54 -1.11 0.00 0.00 175.55 175.53 3h89 s VAL 199 N -2.46 0.02 -0.59 0.71 0.11 -0.57 0.46 120.40 118.08 3h89 s VAL 199 Ca 0.39 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 59.13 3h89 s VAL 199 Cb -0.01 -0.45 0.14 0.00 -1.53 0.00 0.00 36.38 34.53 3h89 s VAL 199 CO 0.23 -0.09 0.55 -0.54 -3.33 0.00 0.00 175.10 171.93 3h89 s LYS 200 N -0.28 3.09 -0.07 1.54 1.02 -1.26 -1.62 119.74 122.16 3h89 s LYS 200 Ca -0.04 -1.81 -0.27 0.00 0.02 0.00 0.00 55.97 53.87 3h89 s LYS 200 Cb -0.03 -4.32 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 3h89 s LYS 200 CO 0.01 -1.33 0.87 -1.64 -0.92 0.00 0.00 175.35 172.34 3h89 s MET 201 N 1.43 4.45 0.08 1.68 -1.94 -0.79 0.55 119.30 124.75 3h89 s MET 201 Ca 0.06 1.17 -0.36 0.00 -1.71 0.00 0.00 55.69 54.84 3h89 s MET 201 Cb -0.27 -3.49 -0.17 0.00 2.01 0.00 0.00 34.83 32.91 3h89 s MET 201 CO 0.01 -0.12 1.20 0.00 -0.01 0.00 0.00 175.02 176.11 3h89 n ALA 202 N 4.32 -1.72 -2.47 3.03 0.00 -0.75 0.65 120.51 123.58 3h89 n ALA 202 Ca 0.04 0.53 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 3h89 n ALA 202 Cb 0.50 -1.97 -0.13 0.00 0.00 0.00 0.00 19.45 17.85 3h89 n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3h89 s LYS 203 N 0.13 2.48 -1.24 0.00 2.20 -1.08 -4.57 119.74 117.66 3h89 s LYS 203 Ca 0.83 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3h89 s LYS 203 Cb -1.02 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3h89 s LYS 203 CO 0.51 0.62 0.00 -0.25 -0.36 0.00 0.00 175.35 175.87 3h89 n ASP 204 N 2.32 -4.40 -1.91 1.43 8.00 -1.26 -4.47 116.55 116.26 3h89 n ASP 204 Ca -0.17 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 3h89 n ASP 204 Cb 0.52 -3.54 0.13 0.00 -0.02 0.00 0.00 41.12 38.21 3h89 n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h89 n ARG 205 N -2.39 2.46 -2.01 -1.24 5.12 -1.26 -4.87 116.66 112.48 3h89 n ARG 205 Ca -0.17 -3.33 -0.02 0.00 -1.93 0.00 0.00 57.85 52.40 3h89 n ARG 205 Cb 0.62 -2.12 0.01 0.00 -1.16 0.00 0.00 32.46 29.82 3h89 n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3h89 n ARG 206 N -1.01 -0.67 -3.58 5.56 1.74 -1.26 -4.25 116.66 113.20 3h89 n ARG 206 Ca 0.50 0.12 -0.24 0.00 -0.77 0.00 0.00 57.85 57.47 3h89 n ARG 206 Cb 1.08 -2.60 0.03 0.00 -1.02 0.00 0.00 32.46 29.95 3h89 n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h89 n ASN 207 N -1.49 -5.75 -4.70 0.55 5.15 -1.26 -4.83 115.26 102.93 3h89 n ASN 207 Ca -0.03 -0.82 -0.42 0.00 -0.60 0.00 0.00 54.58 52.72 3h89 n ASN 207 Cb 0.52 -3.41 -0.03 0.00 -0.53 0.00 0.00 39.78 36.33 3h89 n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3h89 s HIS 208 N -3.27 2.53 -2.00 1.20 5.65 -1.26 -1.17 115.29 116.97 3h89 s HIS 208 Ca 0.28 0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.86 3h89 s HIS 208 Cb -0.10 -4.06 0.00 0.00 -1.18 0.00 0.00 32.58 27.24 3h89 s HIS 208 CO 0.85 -4.20 0.00 0.00 -0.65 0.00 0.00 174.74 170.73 3h89 n GLY 210 N -0.53 -0.50 0.28 0.00 0.00 -0.32 -2.10 105.19 102.02 3h89 n GLY 210 Ca -0.21 0.24 0.16 0.00 0.00 0.00 0.00 46.02 46.21 3h89 n GLY 210 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3h89 h ILE 211 N -1.81 0.19 -0.21 -0.61 2.04 -1.69 -3.02 117.51 112.40 3h89 h ILE 211 Ca -0.63 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 64.71 3h89 h ILE 211 Cb 1.36 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 3h89 h ILE 211 CO 0.55 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.75 3h89 n ALA 212 N -2.14 2.67 0.33 1.87 0.00 -1.26 -4.57 120.51 117.39 3h89 n ALA 212 Ca -0.01 -2.10 0.12 0.00 0.00 0.00 0.00 53.44 51.45 3h89 n ALA 212 Cb 0.27 -0.56 0.09 0.00 0.00 0.00 0.00 19.45 19.25 3h89 n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h89 h SER 213 N 1.39 0.00 -0.59 0.00 0.02 -1.83 -3.33 113.55 109.21 3h89 h SER 213 Ca 0.00 -0.10 -0.28 0.00 -0.84 0.00 0.00 61.79 60.56 3h89 h SER 213 Cb 1.19 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.38 3h89 h SER 213 CO 0.13 0.05 -1.00 0.00 -1.14 0.00 0.00 176.83 174.87 3h89 n ALA 214 N -2.01 2.83 -2.15 3.77 0.00 -1.26 -4.92 120.51 116.77 3h89 n ALA 214 Ca 0.02 -2.61 -0.39 0.00 0.00 0.00 0.00 53.44 50.46 3h89 n ALA 214 Cb 0.50 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.98 3h89 n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h89 s ALA 215 N -2.75 3.49 0.14 0.00 0.00 -1.26 -3.95 121.76 117.44 3h89 s ALA 215 Ca 0.25 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 52.20 3h89 s ALA 215 Cb 0.40 -2.84 0.08 0.00 0.00 0.00 0.00 23.12 20.76 3h89 s ALA 215 CO -0.02 0.30 1.06 -1.54 0.00 0.00 0.00 175.76 175.56 3h89 s SER 216 N -0.97 -0.04 0.03 0.00 1.04 -0.38 -1.44 113.70 111.94 3h89 s SER 216 Ca 0.33 -0.53 -0.28 0.00 0.48 0.00 0.00 55.95 55.96 3h89 s SER 216 Cb -0.21 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.42 3h89 s SER 216 CO 0.23 -0.86 0.66 -0.72 0.98 0.00 0.00 173.24 173.53 3h89 s TYR 217 N -2.45 -0.60 0.41 5.02 1.13 -1.05 -0.93 117.35 118.88 3h89 s TYR 217 Ca 0.19 0.77 -0.22 0.00 -1.41 0.00 0.00 57.07 56.41 3h89 s TYR 217 Cb -0.01 0.47 -0.11 0.00 -1.10 0.00 0.00 41.96 41.21 3h89 s TYR 217 CO 0.03 -0.70 0.95 -1.25 -2.51 0.00 0.00 175.55 172.08 3h89 s PRO 218 N -2.27 4.29 -0.12 -3.49 0.04 -1.26 -1.46 135.00 130.73 3h89 s PRO 218 Ca -0.06 1.17 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 3h89 s PRO 218 Cb -0.00 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 3h89 s PRO 218 CO 0.00 0.02 0.19 0.95 0.04 0.00 0.00 177.00 178.20 3h89 s THR 219 N -2.06 5.41 0.00 1.26 -4.23 -1.00 -4.90 115.64 110.12 3h89 s THR 219 Ca 0.60 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 3h89 s THR 219 Cb -0.11 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3h89 s THR 219 CO 0.15 0.57 0.34 1.33 -0.54 0.00 0.00 174.62 176.47