#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 -1.03 0.10 0.00 -0.02 -1.26 -4.90 135.00 127.89 3h89 n PRO 2 Ca 0.00 -0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.36 3h89 n PRO 2 Cb 0.00 -2.15 0.34 0.00 -0.02 0.00 0.00 33.50 31.68 3h89 n PRO 2 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h89 n ARG 3 N -3.66 0.28 -3.57 -0.52 5.12 -1.26 -4.87 116.66 108.18 3h89 n ARG 3 Ca 0.08 0.19 -0.17 0.00 -1.93 0.00 0.00 57.85 56.02 3h89 n ARG 3 Cb 0.54 -1.79 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 3h89 n ARG 3 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3h89 s SER 4 N -4.52 -0.56 -0.14 0.55 0.01 -1.26 -4.44 113.70 103.34 3h89 s SER 4 Ca 0.10 0.57 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 3h89 s SER 4 Cb 0.12 0.49 0.04 0.00 0.21 0.00 0.00 66.02 66.88 3h89 s SER 4 CO 0.63 -0.58 0.37 -0.69 0.41 0.00 0.00 173.24 173.37 3h89 s VAL 5 N -1.27 0.00 -0.30 3.43 1.01 0.39 -4.94 120.40 118.73 3h89 s VAL 5 Ca -0.11 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.87 3h89 s VAL 5 Cb -0.01 -0.52 0.16 0.00 0.00 0.00 0.00 36.38 36.01 3h89 s VAL 5 CO 0.08 -0.01 0.40 -0.62 0.00 0.00 0.00 175.10 174.95 3h89 s ASP 6 N 0.16 0.57 0.00 3.32 -1.08 -1.26 -0.82 116.67 117.56 3h89 s ASP 6 Ca -0.00 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 51.63 3h89 s ASP 6 Cb -0.03 1.01 0.43 0.00 -1.46 0.00 0.00 42.92 42.87 3h89 s ASP 6 CO 0.01 -0.35 1.31 0.79 0.52 0.00 0.00 175.17 177.44 3h89 n TRP 7 N 5.28 0.00 0.10 -5.34 7.02 -0.50 -1.47 117.44 122.54 3h89 n TRP 7 Ca 0.01 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.46 3h89 n TRP 7 Cb 0.49 -0.48 0.19 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.20 -0.63 -0.99 3.08 -1.95 -1.78 114.38 112.31 3h89 h ARG 8 Ca 0.00 -0.11 0.17 0.00 0.07 0.00 0.00 59.98 60.10 3h89 h ARG 8 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3h89 h ARG 8 CO 0.00 0.65 0.44 0.93 -1.07 0.00 0.00 179.97 180.93 3h89 h GLU 9 N 0.16 0.10 -0.47 0.04 5.08 -1.67 -0.92 114.58 116.90 3h89 h GLU 9 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3h89 h GLU 9 Cb 0.93 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3h89 h GLU 9 CO 0.07 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 3h89 n LYS 10 N -4.39 3.16 -2.33 2.33 4.76 -0.95 -4.97 118.16 115.79 3h89 n LYS 10 Ca 0.12 -2.56 -0.08 0.00 -2.87 0.00 0.00 58.31 52.92 3h89 n LYS 10 Cb 0.63 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 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 0.65 0.12 0.06 0.72 0.00 -0.35 -4.94 105.19 101.45 3h89 n GLY 11 Ca 0.20 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3h89 n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h89 n TYR 12 N -3.88 0.50 -5.04 1.61 4.02 -0.71 -4.80 117.16 108.85 3h89 n TYR 12 Ca -0.07 0.14 -0.32 0.00 -0.01 0.00 0.00 57.90 57.64 3h89 n TYR 12 Cb 0.56 -0.63 -0.16 0.00 -0.02 0.00 0.00 39.34 39.10 3h89 n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3h89 s VAL 13 N -3.13 2.48 0.64 -0.72 1.01 -1.26 -3.85 120.40 115.57 3h89 s VAL 13 Ca 0.08 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3h89 s VAL 13 Cb 0.14 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.54 3h89 s VAL 13 CO 0.70 0.55 1.00 0.42 0.00 0.00 0.00 175.10 177.76 3h89 s THR 14 N 0.27 3.68 0.93 3.92 -4.23 -1.26 -5.00 115.64 113.94 3h89 s THR 14 Ca -0.14 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.54 3h89 s THR 14 Cb -0.17 -3.50 0.07 0.00 1.34 0.00 0.00 72.50 70.24 3h89 s THR 14 CO 0.07 -0.59 0.64 -2.65 -0.54 0.00 0.00 174.62 171.55 3h89 n PRO 15 N -2.78 -0.29 -2.02 3.99 -0.02 -1.26 -4.91 135.00 127.71 3h89 n PRO 15 Ca 0.06 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 3h89 n PRO 15 Cb 0.57 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.43 2.63 0.43 -1.45 1.01 -1.26 -5.03 120.40 114.31 3h89 s VAL 16 Ca 0.61 0.56 0.07 0.00 0.00 0.00 0.00 61.98 63.22 3h89 s VAL 16 Cb -0.23 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3h89 s VAL 16 CO 0.64 0.10 0.33 -0.54 0.00 0.00 0.00 175.10 175.63 3h89 s LYS 17 N -0.83 2.42 -0.12 2.72 1.02 -1.26 -4.79 119.74 118.90 3h89 s LYS 17 Ca 0.56 -1.67 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 3h89 s LYS 17 Cb -0.42 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 3h89 s LYS 17 CO 0.47 -0.22 -0.02 1.21 -0.92 0.00 0.00 175.35 175.86 3h89 s ASN 18 N -4.09 2.14 0.25 2.83 3.84 -1.26 -1.20 114.94 117.46 3h89 s ASN 18 Ca 0.45 -0.35 0.26 0.00 0.21 0.00 0.00 52.86 53.43 3h89 s ASN 18 Cb -0.01 -0.64 0.81 0.00 -0.55 0.00 0.00 41.25 40.86 3h89 s ASN 18 CO 0.26 -0.19 1.76 0.06 -2.79 0.00 0.00 177.10 176.19 3h89 h GLN 19 N 8.24 0.00 0.00 0.43 3.07 -1.63 -3.47 115.11 121.75 3h89 h GLN 19 Ca -0.22 0.00 0.05 0.00 0.09 0.00 0.00 58.65 58.57 3h89 h GLN 19 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 3h89 h GLN 19 CO 0.33 0.00 -0.07 0.41 0.09 0.00 0.00 178.83 179.60 3h89 n GLY 20 N 1.04 -1.36 3.58 0.06 0.00 -1.26 -4.10 105.19 103.15 3h89 n GLY 20 Ca 0.05 -1.13 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 3h89 n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h89 s GLN 21 N -0.32 2.47 -0.30 1.61 -0.21 -1.26 -4.71 119.66 116.94 3h89 s GLN 21 Ca 0.00 -1.13 -0.16 0.00 0.02 0.00 0.00 55.36 54.09 3h89 s GLN 21 Cb 0.00 -5.23 0.16 0.00 1.00 0.00 0.00 33.01 28.94 3h89 s GLN 21 CO 0.00 -4.00 1.04 0.00 -2.12 0.00 0.00 175.29 170.21 3h89 n GLY 23 N 4.28 3.55 1.07 0.00 0.00 0.54 -4.36 105.19 110.27 3h89 n GLY 23 Ca -0.13 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.83 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 3.99 -0.31 1.61 3.41 -1.26 -2.89 113.62 121.94 3h89 n SER 24 Ca 0.58 -2.59 0.33 0.00 -0.26 0.00 0.00 58.87 56.94 3h89 n SER 24 Cb 0.23 -0.48 0.72 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.05 0.00 0.15 0.00 5.08 -1.83 -2.28 115.95 117.12 3h89 h TRP 26 Ca 0.56 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 60.24 3h89 h TRP 26 Cb 2.13 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 28.30 3h89 h TRP 26 CO -0.00 0.19 -1.27 0.00 -1.28 0.00 0.00 178.44 176.08 3h89 h ALA 27 N 1.81 0.04 0.00 0.11 0.00 -0.13 -2.86 119.26 118.23 3h89 h ALA 27 Ca -0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 3h89 h ALA 27 Cb 0.60 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h89 h ALA 27 CO 0.03 0.84 -0.67 0.74 0.00 0.00 0.00 179.25 180.19 3h89 h PHE 28 N 0.14 0.00 -0.02 0.00 -1.00 -1.37 -2.09 116.94 112.60 3h89 h PHE 28 Ca -0.17 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.43 3h89 h PHE 28 Cb 1.97 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.52 3h89 h PHE 28 CO 0.09 0.67 -0.79 1.03 -1.61 0.00 0.00 178.31 177.70 3h89 h SER 29 N 0.00 0.29 -0.12 2.17 0.87 -1.50 -2.47 113.55 112.80 3h89 h SER 29 Ca -0.01 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.19 3h89 h SER 29 Cb 1.19 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3h89 h SER 29 CO 0.09 0.97 -0.51 0.00 -0.53 0.00 0.00 176.83 176.84 3h89 h ALA 30 N 1.02 0.23 -0.78 6.23 0.00 -1.41 -2.81 119.26 121.74 3h89 h ALA 30 Ca -0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3h89 h ALA 30 Cb 1.38 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 3h89 h ALA 30 CO 0.12 0.41 0.29 1.79 0.00 0.00 0.00 179.25 181.87 3h89 h THR 31 N 0.19 1.26 -0.95 0.00 1.35 -1.42 0.07 112.91 113.41 3h89 h THR 31 Ca -0.03 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3h89 h THR 31 Cb 1.15 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.87 3h89 h THR 31 CO 0.11 0.34 0.61 1.23 -0.25 0.00 0.00 175.52 177.56 3h89 h GLY 32 N 1.14 1.35 0.69 5.82 0.00 -1.45 0.66 103.07 111.28 3h89 h GLY 32 Ca 0.26 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 3h89 h GLY 32 CO -0.02 0.51 -0.18 0.00 0.00 0.00 0.00 176.54 176.86 3h89 h ALA 33 N 1.38 0.17 -0.33 3.60 0.00 -1.17 -1.94 119.26 120.96 3h89 h ALA 33 Ca 0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h89 h ALA 33 Cb -0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3h89 h ALA 33 CO -0.07 0.09 0.19 -0.07 0.00 0.00 0.00 179.25 179.39 3h89 h LEU 34 N -0.12 0.41 -0.80 0.00 3.38 -0.63 0.10 115.31 117.65 3h89 h LEU 34 Ca 0.01 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.00 3h89 h LEU 34 Cb 0.75 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3h89 h LEU 34 CO 0.04 0.36 0.45 -0.33 0.09 0.00 0.00 178.44 179.05 3h89 h GLU 35 N 0.43 0.75 -0.40 1.13 5.08 0.31 0.28 114.58 122.16 3h89 h GLU 35 Ca 0.12 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3h89 h GLU 35 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3h89 h GLU 35 CO -0.02 0.50 -0.35 0.78 -1.00 0.00 0.00 179.01 178.92 3h89 h GLY 36 N 0.77 1.01 1.82 -3.84 0.00 -0.85 -1.80 103.07 100.19 3h89 h GLY 36 Ca 0.38 -1.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.54 3h89 h GLY 36 CO -0.24 0.90 -0.79 1.46 0.00 0.00 0.00 176.54 177.87 3h89 h GLN 37 N 0.77 0.17 -0.27 4.80 1.08 -0.17 -2.42 115.11 119.07 3h89 h GLN 37 Ca 0.07 -0.16 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 3h89 h GLN 37 Cb 0.93 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 3h89 h GLN 37 CO 0.09 0.87 -0.45 0.52 -0.95 0.00 0.00 178.83 178.91 3h89 h MET 38 N 0.10 0.69 0.11 1.46 2.86 -0.47 -2.79 114.93 116.88 3h89 h MET 38 Ca -0.03 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3h89 h MET 38 Cb 1.38 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 3h89 h MET 38 CO 0.12 0.99 -0.08 0.35 1.06 0.00 0.00 176.91 179.35 3h89 h PHE 39 N 0.55 -0.22 -0.92 -0.22 3.57 -1.20 0.13 116.94 118.63 3h89 h PHE 39 Ca 0.04 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.70 3h89 h PHE 39 Cb 0.99 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.73 3h89 h PHE 39 CO 0.05 -0.13 0.59 -0.09 -2.23 0.00 0.00 178.31 176.50 3h89 h ARG 40 N -0.20 0.65 0.00 1.11 2.43 -1.40 0.91 114.38 117.88 3h89 h ARG 40 Ca -0.00 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3h89 h ARG 40 Cb 0.18 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3h89 h ARG 40 CO -0.01 0.43 -0.97 -0.22 -1.51 0.00 0.00 179.97 177.69 3h89 h LYS 41 N 0.67 0.00 0.00 0.20 3.64 -1.08 -3.40 116.57 116.60 3h89 h LYS 41 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 3h89 h LYS 41 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3h89 h LYS 41 CO -0.24 0.72 -0.01 0.25 -2.27 0.00 0.00 179.45 177.91 3h89 n THR 42 N -3.23 0.00 -1.14 1.00 -2.24 0.37 -4.99 114.28 104.05 3h89 n THR 42 Ca -0.02 -0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 3h89 n THR 42 Cb 0.88 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 70.09 3h89 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h89 n GLY 43 N 0.86 0.69 3.05 3.38 0.00 0.31 -4.98 105.19 108.50 3h89 n GLY 43 Ca 0.00 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.85 2.47 -0.44 1.61 0.52 -1.25 -5.05 118.95 114.96 3h89 s ARG 44 Ca 0.00 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3h89 s ARG 44 Cb 0.00 -2.35 0.02 0.00 0.52 0.00 0.00 34.95 33.15 3h89 s ARG 44 CO 0.00 -0.28 0.58 -1.17 0.02 0.00 0.00 175.30 174.45 3h89 s LEU 45 N 1.39 4.64 -0.13 2.53 2.96 -1.26 -4.08 118.68 124.72 3h89 s LEU 45 Ca 0.03 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3h89 s LEU 45 Cb -0.14 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3h89 s LEU 45 CO -0.11 -0.73 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.41 3h89 s ILE 46 N 2.61 1.61 0.19 6.68 1.01 -1.26 -5.10 121.20 126.93 3h89 s ILE 46 Ca 0.19 -0.68 -0.32 0.00 0.00 0.00 0.00 60.65 59.84 3h89 s ILE 46 Cb -0.15 -1.48 -0.11 0.00 0.01 0.00 0.00 42.46 40.73 3h89 s ILE 46 CO 0.17 0.46 1.63 -0.55 0.00 0.00 0.00 174.94 176.65 3h89 s SER 47 N 1.19 6.50 0.24 3.58 0.15 -1.26 -4.81 113.70 119.29 3h89 s SER 47 Ca -0.01 2.73 0.02 0.00 0.70 0.00 0.00 55.95 59.38 3h89 s SER 47 Cb -0.14 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 3h89 s SER 47 CO -0.06 -0.88 0.40 -0.76 1.20 0.00 0.00 173.24 173.14 3h89 s LEU 48 N 1.07 4.23 -0.50 3.45 1.43 -1.26 -0.35 118.68 126.75 3h89 s LEU 48 Ca 0.71 0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 3h89 s LEU 48 Cb -0.46 -3.06 0.03 0.00 0.03 0.00 0.00 46.19 42.73 3h89 s LEU 48 CO 0.32 -0.09 1.09 -0.55 0.23 0.00 0.00 176.35 177.35 3h89 s SER 49 N -3.64 6.55 0.22 2.29 0.15 -0.26 -4.00 113.70 115.01 3h89 s SER 49 Ca 0.37 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 3h89 s SER 49 Cb -0.10 -2.52 0.21 0.00 -1.71 0.00 0.00 66.02 61.89 3h89 s SER 49 CO 0.30 -1.25 1.59 -0.33 1.20 0.00 0.00 173.24 174.76 3h89 h GLU 50 N 9.26 0.59 -0.97 5.44 3.07 -1.88 -2.99 114.58 127.09 3h89 h GLU 50 Ca -0.24 -0.29 0.02 0.00 -0.50 0.00 0.00 59.36 58.34 3h89 h GLU 50 Cb 1.06 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.93 3h89 h GLU 50 CO 1.11 0.88 0.64 0.37 -1.40 0.00 0.00 179.01 180.62 3h89 h GLN 51 N 0.48 1.26 -0.97 2.33 5.75 -1.84 -0.07 115.11 122.06 3h89 h GLN 51 Ca 0.04 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3h89 h GLN 51 Cb 0.90 -0.28 -0.06 0.00 1.07 0.00 0.00 27.48 29.11 3h89 h GLN 51 CO 0.08 0.83 0.63 -0.97 -2.65 0.00 0.00 178.83 176.75 3h89 h ASN 52 N 1.30 1.04 -0.11 -0.69 -0.00 -1.76 0.71 115.58 116.06 3h89 h ASN 52 Ca 0.36 -0.01 -0.17 0.00 -0.00 0.00 0.00 56.30 56.49 3h89 h ASN 52 Cb -0.12 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 37.97 3h89 h ASN 52 CO -0.09 0.70 -0.55 -0.07 -0.00 0.00 0.00 177.43 177.43 3h89 h LEU 53 N 1.20 0.78 -0.48 0.34 3.38 -1.31 -2.16 115.31 117.05 3h89 h LEU 53 Ca 0.39 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3h89 h LEU 53 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3h89 h LEU 53 CO -0.13 1.17 0.11 0.58 0.09 0.00 0.00 178.44 180.26 3h89 h VAL 54 N 0.54 1.24 0.01 1.22 2.07 -0.17 -2.30 116.25 118.85 3h89 h VAL 54 Ca 0.01 -0.86 -0.22 0.00 0.82 0.00 0.00 66.70 66.46 3h89 h VAL 54 Cb 1.12 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 3h89 h VAL 54 CO 0.11 0.31 -1.06 0.44 0.02 0.00 0.00 177.57 177.39 3h89 h ASP 55 N 0.66 0.03 -0.00 0.57 3.32 -0.92 -3.36 116.42 116.72 3h89 h ASP 55 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h89 h ASP 55 Cb 0.34 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3h89 h ASP 55 CO 0.00 1.02 -0.29 0.00 -1.72 0.00 0.00 179.24 178.26 3h89 n SER 57 N -0.75 2.73 -0.13 0.00 3.41 -0.87 -4.28 113.62 113.73 3h89 n SER 57 Ca 0.03 -2.22 0.01 0.00 -0.26 0.00 0.00 58.87 56.42 3h89 n SER 57 Cb 0.16 -0.41 0.28 0.00 -0.26 0.00 0.00 64.21 63.98 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 4.86 0.87 2.00 5.00 0.00 -1.84 -1.90 103.07 112.06 3h89 h GLY 58 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3h89 h GLY 58 CO 0.12 0.36 -0.05 -2.55 0.00 0.00 0.00 176.54 174.42 3h89 h PRO 59 N 0.82 0.00 -0.01 4.80 0.11 -1.87 -0.84 132.00 135.02 3h89 h PRO 59 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3h89 h PRO 59 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3h89 h PRO 59 CO -0.04 0.05 -0.08 1.04 -0.21 0.00 0.00 178.00 178.76 3h89 n GLN 60 N -3.64 1.00 0.00 1.05 3.00 -0.76 -4.89 117.38 113.14 3h89 n GLN 60 Ca -0.02 -0.40 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 3h89 n GLN 60 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.90 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 1.21 0.74 3.84 1.08 0.00 -0.32 -4.86 105.19 106.88 3h89 n GLY 61 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.58 5.09 -0.20 1.61 0.01 -0.94 -4.90 114.94 114.03 3h89 s ASN 62 Ca 0.00 1.28 0.17 0.00 -0.71 0.00 0.00 52.86 53.60 3h89 s ASN 62 Cb 0.00 -2.08 0.46 0.00 0.41 0.00 0.00 41.25 40.04 3h89 s ASN 62 CO 0.00 -1.59 1.17 -0.62 -1.51 0.00 0.00 177.10 174.55 3h89 n GLU 63 N -3.18 1.77 0.00 -0.60 -0.58 0.65 -4.19 120.64 114.51 3h89 n GLU 63 Ca 0.07 -3.28 0.00 0.00 -0.42 0.00 0.00 57.16 53.53 3h89 n GLU 63 Cb 0.56 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.47 2.61 0.00 0.62 0.00 -1.25 -1.22 105.19 105.48 3h89 n GLY 64 Ca 0.19 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.27 1.45 0.00 0.00 3.02 -0.36 -0.34 115.26 117.77 3h89 n ASN 66 Ca 0.04 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3h89 n ASN 66 Cb 0.06 0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.36 3.63 0.00 7.41 0.00 -0.89 -4.95 105.19 111.75 3h89 n GLY 67 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.63 0.60 3.02 -0.02 0.00 -1.26 -0.25 105.19 105.65 3h89 n GLY 68 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 2.17 0.23 0.99 1.43 -1.26 -4.85 118.68 117.40 3h89 s LEU 69 Ca 0.00 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 3h89 s LEU 69 Cb 0.00 -0.18 0.23 0.00 0.03 0.00 0.00 46.19 46.27 3h89 s LEU 69 CO 0.00 -0.12 1.75 0.24 0.23 0.00 0.00 176.35 178.45 3h89 h MET 70 N 5.01 1.00 -0.75 1.70 2.86 -1.98 -2.50 114.93 120.27 3h89 h MET 70 Ca -0.33 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.06 3h89 h MET 70 Cb 1.20 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.69 3h89 h MET 70 CO 0.44 0.90 0.42 -0.44 1.06 0.00 0.00 176.91 179.30 3h89 h ASP 71 N 0.95 0.92 -0.07 1.22 3.32 -1.96 -0.66 116.42 120.14 3h89 h ASP 71 Ca 0.20 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3h89 h ASP 71 Cb 0.37 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3h89 h ASP 71 CO 0.01 0.73 -0.25 1.88 -1.72 0.00 0.00 179.24 179.88 3h89 h TYR 72 N 1.04 0.56 -0.56 4.55 -1.99 -1.82 -1.48 116.97 117.27 3h89 h TYR 72 Ca 0.27 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 3h89 h TYR 72 Cb 0.00 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 3h89 h TYR 72 CO 0.01 0.71 0.18 0.00 -0.00 0.00 0.00 178.16 179.06 3h89 h ALA 73 N 1.29 0.74 -0.19 3.88 0.00 -0.84 -0.35 119.26 123.79 3h89 h ALA 73 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3h89 h ALA 73 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h89 h ALA 73 CO 0.05 0.40 -0.32 0.74 0.00 0.00 0.00 179.25 180.12 3h89 h PHE 74 N 0.79 0.44 -0.37 0.00 0.04 -0.85 -2.32 116.94 114.68 3h89 h PHE 74 Ca 0.18 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 3h89 h PHE 74 Cb 0.28 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3h89 h PHE 74 CO 0.02 0.67 -0.11 0.37 -0.60 0.00 0.00 178.31 178.65 3h89 h GLN 75 N 0.34 0.73 0.24 1.51 5.75 -0.90 -2.01 115.11 120.77 3h89 h GLN 75 Ca 0.04 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3h89 h GLN 75 Cb 0.73 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.22 3h89 h GLN 75 CO 0.06 0.89 -0.32 -0.92 -2.65 0.00 0.00 178.83 175.89 3h89 h TYR 76 N 0.53 -0.85 -0.97 3.99 3.20 -0.78 0.71 116.97 122.80 3h89 h TYR 76 Ca 0.09 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.18 3h89 h TYR 76 Cb 0.64 0.34 -0.08 0.00 1.54 0.00 0.00 36.73 39.17 3h89 h TYR 76 CO 0.05 -0.44 0.62 0.28 -1.64 0.00 0.00 178.16 177.03 3h89 h VAL 77 N -0.61 0.66 -0.07 1.81 2.07 -1.35 0.38 116.25 119.15 3h89 h VAL 77 Ca 0.00 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3h89 h VAL 77 Cb 0.59 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3h89 h VAL 77 CO -0.11 0.09 -0.16 -0.61 0.02 0.00 0.00 177.57 176.81 3h89 h GLN 78 N 0.52 0.22 0.00 1.57 4.15 -0.31 -2.10 115.11 119.17 3h89 h GLN 78 Ca 0.53 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.80 3h89 h GLN 78 Cb 1.16 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3h89 h GLN 78 CO -0.26 0.75 0.00 -0.44 -1.93 0.00 0.00 178.83 176.95 3h89 h ASP 79 N -0.27 0.00 0.70 -0.69 3.32 0.14 -3.23 116.42 116.40 3h89 h ASP 79 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3h89 h ASP 79 Cb 0.75 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3h89 h ASP 79 CO 0.03 0.00 -1.41 -3.20 -1.72 0.00 0.00 179.24 172.94 3h89 n ASN 80 N -2.77 0.87 0.00 6.45 5.15 0.12 -4.99 115.26 120.09 3h89 n ASN 80 Ca 0.03 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 3h89 n ASN 80 Cb 0.37 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 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 1.40 0.57 0.00 8.20 0.00 -0.80 -4.98 105.19 109.57 3h89 n GLY 81 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.77 -0.83 3.50 -0.02 0.00 -1.12 -4.97 105.19 98.98 3h89 n GLY 82 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.73 0.65 0.99 2.96 -0.93 -4.64 118.68 116.98 3h89 s LEU 83 Ca 0.00 1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 55.06 3h89 s LEU 83 Cb 0.00 1.97 -0.00 0.00 0.50 0.00 0.00 46.19 48.66 3h89 s LEU 83 CO 0.00 -0.22 1.11 -1.81 -1.32 0.00 0.00 176.35 174.11 3h89 s ASP 84 N 1.94 5.14 0.79 3.68 1.01 -1.26 -1.06 116.67 126.92 3h89 s ASP 84 Ca -0.08 2.02 -0.11 0.00 0.71 0.00 0.00 52.55 55.09 3h89 s ASP 84 Cb -0.08 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.36 3h89 s ASP 84 CO -0.17 -1.61 1.09 -0.94 0.21 0.00 0.00 175.17 173.75 3h89 s SER 85 N -2.50 4.49 0.33 0.27 1.04 -1.10 -1.11 113.70 115.13 3h89 s SER 85 Ca 0.68 1.45 0.01 0.00 0.48 0.00 0.00 55.95 58.57 3h89 s SER 85 Cb -0.21 -2.20 0.58 0.00 0.10 0.00 0.00 66.02 64.29 3h89 s SER 85 CO 0.40 -1.99 1.97 -0.08 0.98 0.00 0.00 173.24 174.52 3h89 h GLU 86 N -1.10 0.84 -0.44 4.02 4.57 -0.83 -2.32 114.58 119.32 3h89 h GLU 86 Ca -0.46 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 57.54 3h89 h GLU 86 Cb 1.26 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3h89 h GLU 86 CO 0.57 0.60 -0.10 1.49 -1.18 0.00 0.00 179.01 180.39 3h89 h GLU 87 N 0.85 0.85 0.00 1.92 4.81 -1.93 -2.92 114.58 118.16 3h89 h GLU 87 Ca 0.22 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 3h89 h GLU 87 Cb -0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3h89 h GLU 87 CO -0.04 0.96 -0.27 0.66 -0.73 0.00 0.00 179.01 179.59 3h89 h SER 88 N 0.68 0.00 -2.09 1.04 4.64 -1.90 -3.37 113.55 112.56 3h89 h SER 88 Ca 0.11 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.88 3h89 h SER 88 Cb 0.64 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.32 3h89 h SER 88 CO 0.04 0.27 -0.94 0.00 -0.87 0.00 0.00 176.83 175.33 3h89 n TYR 89 N -3.18 1.41 -1.38 4.77 4.19 -0.89 -4.99 117.16 117.10 3h89 n TYR 89 Ca 0.03 -3.84 -0.41 0.00 3.31 0.00 0.00 57.90 56.99 3h89 n TYR 89 Cb 0.63 -0.44 0.01 0.00 0.49 0.00 0.00 39.34 40.03 3h89 n TYR 89 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 3h89 n PRO 90 N 0.68 0.29 -2.61 2.98 -0.02 -1.11 -4.41 135.00 130.81 3h89 n PRO 90 Ca 0.26 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3h89 n PRO 90 Cb 0.52 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.63 3.64 0.00 6.00 5.04 -1.26 -4.70 117.35 124.43 3h89 s TYR 91 Ca 0.62 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.86 3h89 s TYR 91 Cb -0.59 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.52 3h89 s TYR 91 CO 0.60 -0.37 0.65 0.39 -1.34 0.00 0.00 175.55 175.49 3h89 n GLU 92 N 3.23 0.62 -1.60 4.97 1.02 -1.26 -5.01 120.64 122.60 3h89 n GLU 92 Ca 0.05 -0.84 -0.15 0.00 -0.02 0.00 0.00 57.16 56.19 3h89 n GLU 92 Cb 0.48 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.19 -0.31 -3.23 0.62 0.00 -1.26 -4.92 120.51 111.22 3h89 n ALA 93 Ca 0.00 0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 3h89 n ALA 93 Cb 0.14 -1.61 -0.08 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.38 0.05 -0.06 0.00 -1.32 -1.26 -4.63 115.64 106.04 3h89 s THR 94 Ca 0.00 -0.44 -0.23 0.00 -1.21 0.00 0.00 61.69 59.81 3h89 s THR 94 Cb 0.00 -0.79 -0.04 0.00 -1.51 0.00 0.00 72.50 70.17 3h89 s THR 94 CO 0.00 -0.24 0.69 -0.70 -2.21 0.00 0.00 174.62 172.17 3h89 s GLU 95 N -1.73 4.44 0.31 7.08 2.12 -1.26 -4.94 118.70 124.71 3h89 s GLU 95 Ca -0.10 0.87 0.03 0.00 0.36 0.00 0.00 54.97 56.13 3h89 s GLU 95 Cb -0.03 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.86 3h89 s GLU 95 CO 0.03 0.08 0.07 -1.21 -0.54 0.00 0.00 175.26 173.68 3h89 s GLU 96 N 0.76 1.59 0.64 4.30 0.41 -1.26 -5.08 118.70 120.05 3h89 s GLU 96 Ca 0.37 -1.87 -0.18 0.00 -0.41 0.00 0.00 54.97 52.88 3h89 s GLU 96 Cb -0.18 -0.71 -0.02 0.00 -1.78 0.00 0.00 34.13 31.45 3h89 s GLU 96 CO 0.18 -0.21 1.25 -1.13 -0.49 0.00 0.00 175.26 174.86 3h89 n SER 97 N -0.63 1.91 -4.74 -0.19 3.41 -1.26 -4.56 113.62 107.57 3h89 n SER 97 Ca -0.02 0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 59.01 3h89 n SER 97 Cb 0.66 -1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.05 3h89 n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h89 n LYS 99 N 2.72 0.77 -1.67 0.00 5.02 -1.26 -5.05 118.16 118.69 3h89 n LYS 99 Ca 0.08 -2.62 -0.43 0.00 -2.02 0.00 0.00 58.31 53.32 3h89 n LYS 99 Cb 0.40 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.23 2.04 -3.74 2.13 9.36 -1.26 -4.99 117.16 120.47 3h89 n TYR 100 Ca 0.12 0.56 -0.28 0.00 3.32 0.00 0.00 57.90 61.63 3h89 n TYR 100 Cb 0.95 -2.39 -0.16 0.00 -0.63 0.00 0.00 39.34 37.10 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 -0.24 2.99 0.50 2.98 3.84 -1.26 -5.02 114.94 118.73 3h89 s ASN 101 Ca 0.59 -0.87 0.31 0.00 0.21 0.00 0.00 52.86 53.10 3h89 s ASN 101 Cb -0.62 -0.62 1.42 0.00 -0.55 0.00 0.00 41.25 40.89 3h89 s ASN 101 CO 0.59 -0.31 1.80 1.55 -2.79 0.00 0.00 177.10 177.95 3h89 h PRO 102 N 8.23 0.10 -0.20 0.43 0.13 -1.99 -0.17 132.00 138.54 3h89 h PRO 102 Ca -0.16 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.02 3h89 h PRO 102 Cb 1.11 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3h89 h PRO 102 CO 0.34 0.07 0.15 -0.22 -0.23 0.00 0.00 178.00 178.12 3h89 h LYS 103 N 0.11 0.00 -0.41 0.86 3.64 -2.02 -2.04 116.57 116.70 3h89 h LYS 103 Ca 0.56 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.89 3h89 h LYS 103 Cb 2.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.79 3h89 h LYS 103 CO -0.09 0.00 0.03 0.66 -2.27 0.00 0.00 179.45 177.78 3h89 n TYR 104 N -4.40 1.44 -2.55 1.91 4.01 -0.08 -4.99 117.16 112.50 3h89 n TYR 104 Ca 0.02 -0.95 -0.36 0.00 -0.16 0.00 0.00 57.90 56.45 3h89 n TYR 104 Cb 0.29 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 38.85 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 -1.60 6.69 0.00 7.72 0.15 -0.77 -2.71 113.70 123.19 3h89 s SER 105 Ca 0.47 2.02 0.00 0.00 0.70 0.00 0.00 55.95 59.14 3h89 s SER 105 Cb 0.38 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 3h89 s SER 105 CO 0.10 -0.54 0.00 1.33 1.20 0.00 0.00 173.24 175.34 3h89 n VAL 106 N -0.22 0.00 -3.85 4.45 0.24 -0.23 -4.90 118.33 113.83 3h89 n VAL 106 Ca 0.06 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.25 3h89 n VAL 106 Cb 0.50 1.70 -0.09 0.00 -1.47 0.00 0.00 33.84 34.48 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 0.00 -0.39 0.23 2.33 0.00 -1.21 -5.01 121.76 117.71 3h89 s ALA 107 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 3h89 s ALA 107 Cb 0.00 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.32 3h89 s ALA 107 CO 0.00 -0.29 0.52 1.21 0.00 0.00 0.00 175.76 177.20 3h89 s ASN 108 N -1.74 -0.17 0.18 0.00 3.04 -1.26 -2.20 114.94 112.80 3h89 s ASN 108 Ca -0.10 -0.71 -0.16 0.00 0.04 0.00 0.00 52.86 51.93 3h89 s ASN 108 Cb -0.04 0.60 0.02 0.00 -1.54 0.00 0.00 41.25 40.29 3h89 s ASN 108 CO -0.01 -1.13 0.47 1.51 -3.04 0.00 0.00 177.10 174.90 3h89 s ASP 109 N -2.95 -0.21 -0.46 -4.21 1.47 -1.26 -4.60 116.67 104.45 3h89 s ASP 109 Ca 0.15 -0.52 0.06 0.00 1.18 0.00 0.00 52.55 53.43 3h89 s ASP 109 Cb -0.01 0.54 0.40 0.00 -0.34 0.00 0.00 42.92 43.51 3h89 s ASP 109 CO 0.04 -1.00 1.05 1.07 0.68 0.00 0.00 175.17 177.00 3h89 n THR 110 N -0.31 2.35 0.00 2.11 5.66 0.37 -4.35 114.28 120.12 3h89 n THR 110 Ca -0.10 -4.93 0.00 0.00 -3.05 0.00 0.00 64.05 55.96 3h89 n THR 110 Cb 0.63 -1.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 -0.37 -1.45 3.60 1.09 0.00 -1.26 -4.75 105.19 102.06 3h89 n GLY 111 Ca 0.34 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.57 -0.08 1.61 -0.71 -1.26 -1.31 117.98 116.79 3h89 s PHE 112 Ca 0.00 -0.94 0.01 0.00 -1.04 0.00 0.00 56.93 54.95 3h89 s PHE 112 Cb 0.00 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 42.05 3h89 s PHE 112 CO 0.00 -1.16 -0.08 0.08 -1.34 0.00 0.00 175.22 172.73 3h89 s VAL 113 N -3.35 0.89 -0.33 -2.49 1.01 0.42 -4.83 120.40 111.73 3h89 s VAL 113 Ca 0.24 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3h89 s VAL 113 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3h89 s VAL 113 CO 0.14 0.32 0.35 -1.81 0.00 0.00 0.00 175.10 174.10 3h89 s ASP 114 N 1.26 6.18 0.44 3.32 1.01 -1.26 -2.09 116.67 125.54 3h89 s ASP 114 Ca -0.04 -0.14 -0.24 0.00 0.71 0.00 0.00 52.55 52.84 3h89 s ASP 114 Cb -0.14 -2.19 -0.08 0.00 1.01 0.00 0.00 42.92 41.52 3h89 s ASP 114 CO -0.03 -0.30 1.17 -0.63 0.21 0.00 0.00 175.17 175.60 3h89 s ILE 115 N 2.01 3.09 0.48 0.77 -1.09 -0.59 -4.97 121.20 120.89 3h89 s ILE 115 Ca 0.12 0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 59.15 3h89 s ILE 115 Cb -0.16 -3.45 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 3h89 s ILE 115 CO 0.11 0.02 1.39 -2.84 -1.23 0.00 0.00 174.94 172.39 3h89 s PRO 116 N -2.56 3.52 -0.60 2.79 0.02 -1.26 -4.65 135.00 132.26 3h89 s PRO 116 Ca 0.61 2.31 -0.05 0.00 0.02 0.00 0.00 61.00 63.90 3h89 s PRO 116 Cb -0.30 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3h89 s PRO 116 CO 0.37 -0.92 1.73 1.63 -0.33 0.00 0.00 177.00 179.48 3h89 n LYS 117 N -0.47 1.35 -3.85 5.54 5.02 -1.26 -4.59 118.16 119.90 3h89 n LYS 117 Ca 0.07 -1.14 -0.12 0.00 -2.02 0.00 0.00 58.31 55.09 3h89 n LYS 117 Cb 0.43 -2.31 -0.14 0.00 -0.02 0.00 0.00 35.03 32.99 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 4.03 0.05 0.57 1.97 1.11 -1.24 -4.83 119.66 121.31 3h89 s GLN 118 Ca 0.27 0.07 0.28 0.00 0.01 0.00 0.00 55.36 55.99 3h89 s GLN 118 Cb 0.07 0.02 1.68 0.00 -1.01 0.00 0.00 33.01 33.77 3h89 s GLN 118 CO -0.01 -0.01 2.20 0.93 0.01 0.00 0.00 175.29 178.41 3h89 h GLU 119 N 6.12 0.00 -0.16 2.91 5.08 -1.87 -1.29 114.58 125.37 3h89 h GLU 119 Ca -0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 3h89 h GLU 119 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3h89 h GLU 119 CO 0.48 0.03 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.29 3h89 h LYS 120 N 0.00 0.28 0.00 2.33 3.11 -1.95 -0.06 116.57 120.29 3h89 h LYS 120 Ca -0.00 -0.10 -0.09 0.00 -2.81 0.00 0.00 60.65 57.66 3h89 h LYS 120 Cb 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 3h89 h LYS 120 CO 0.00 0.53 -0.41 0.00 -2.81 0.00 0.00 179.45 176.76 3h89 h ALA 121 N 0.75 1.19 -0.06 5.00 0.00 -1.58 -2.68 119.26 121.87 3h89 h ALA 121 Ca 0.04 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3h89 h ALA 121 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3h89 h ALA 121 CO 0.01 0.51 -0.73 1.25 0.00 0.00 0.00 179.25 180.29 3h89 h LEU 122 N 0.00 0.40 0.06 0.00 5.85 -1.08 -2.61 115.31 117.93 3h89 h LEU 122 Ca -0.00 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3h89 h LEU 122 Cb 0.79 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.70 3h89 h LEU 122 CO 0.05 1.00 -0.03 -0.03 -0.34 0.00 0.00 178.44 179.09 3h89 h MET 123 N 0.22 -0.07 -0.41 1.25 4.05 -0.69 -0.51 114.93 118.78 3h89 h MET 123 Ca -0.03 0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 3h89 h MET 123 Cb 1.30 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 32.08 3h89 h MET 123 CO 0.12 0.14 0.20 0.87 0.23 0.00 0.00 176.91 178.47 3h89 h LYS 124 N -0.28 0.39 -0.58 0.39 1.57 -1.53 -1.93 116.57 114.60 3h89 h LYS 124 Ca -0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3h89 h LYS 124 Cb 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3h89 h LYS 124 CO 0.01 0.26 0.38 0.00 -0.57 0.00 0.00 179.45 179.53 3h89 h ALA 125 N 1.22 0.75 0.00 3.86 0.00 -1.36 0.53 119.26 124.26 3h89 h ALA 125 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h89 h ALA 125 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h89 h ALA 125 CO -0.13 0.15 -0.03 0.28 0.00 0.00 0.00 179.25 179.52 3h89 h VAL 126 N 0.77 0.13 0.01 0.00 2.07 -0.69 0.13 116.25 118.65 3h89 h VAL 126 Ca 0.22 -0.30 -0.31 0.00 0.82 0.00 0.00 66.70 67.14 3h89 h VAL 126 Cb -0.06 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 3h89 h VAL 126 CO -0.06 0.03 -1.82 0.00 0.02 0.00 0.00 177.57 175.73 3h89 n ALA 127 N -2.13 1.46 0.52 1.67 0.00 -0.34 -3.98 120.51 117.71 3h89 n ALA 127 Ca -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 53.44 52.65 3h89 n ALA 127 Cb 0.19 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 3h89 n ALA 127 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h89 n THR 128 N -3.03 0.00 -0.06 0.00 -2.24 0.03 -4.76 114.28 104.23 3h89 n THR 128 Ca -0.20 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3h89 n THR 128 Cb 1.07 0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 70.13 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 -1.40 0.62 0.00 2.28 0.31 0.43 -5.06 118.33 115.50 3h89 n VAL 129 Ca 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3h89 n VAL 129 Cb 0.22 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.49 0.63 3.59 2.92 0.00 -1.20 -4.93 105.19 108.68 3h89 n GLY 130 Ca -0.21 -2.15 -0.50 0.00 0.00 0.00 0.00 46.02 43.16 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 1.20 -4.92 1.61 -0.02 -1.26 -4.50 135.00 127.12 3h89 n PRO 131 Ca 0.00 0.43 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 3h89 n PRO 131 Cb 0.00 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.16 2.93 0.01 4.25 -1.09 -0.41 -4.76 121.20 122.30 3h89 s ILE 132 Ca 0.79 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 3h89 s ILE 132 Cb -0.89 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 3h89 s ILE 132 CO 0.49 0.57 0.95 -0.44 -1.23 0.00 0.00 174.94 175.28 3h89 s SER 133 N -0.44 7.35 0.04 3.58 0.01 0.04 -1.45 113.70 122.85 3h89 s SER 133 Ca 0.05 1.63 -0.00 0.00 1.31 0.00 0.00 55.95 58.94 3h89 s SER 133 Cb -0.12 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3h89 s SER 133 CO 0.02 -0.21 -0.04 0.68 0.41 0.00 0.00 173.24 174.10 3h89 s VAL 134 N 0.83 0.25 -0.09 3.43 -7.23 -0.94 -0.40 120.40 116.24 3h89 s VAL 134 Ca 0.50 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 3h89 s VAL 134 Cb -0.21 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.64 3h89 s VAL 134 CO 0.27 -0.79 -0.10 0.00 -0.31 0.00 0.00 175.10 174.18 3h89 s ALA 135 N -2.93 2.81 0.18 1.32 0.00 -1.24 -1.40 121.76 120.50 3h89 s ALA 135 Ca -0.01 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.10 3h89 s ALA 135 Cb 0.01 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 3h89 s ALA 135 CO -0.06 0.44 -0.11 0.42 0.00 0.00 0.00 175.76 176.45 3h89 s ILE 136 N -0.33 1.39 -0.61 0.00 1.01 -0.02 -4.18 121.20 118.45 3h89 s ILE 136 Ca 0.04 -2.12 -0.22 0.00 0.00 0.00 0.00 60.65 58.36 3h89 s ILE 136 Cb -0.13 -2.00 0.07 0.00 0.01 0.00 0.00 42.46 40.42 3h89 s ILE 136 CO 0.02 -0.63 0.87 -0.62 0.00 0.00 0.00 174.94 174.58 3h89 s ASP 137 N -3.25 6.21 -0.29 3.58 2.15 -0.75 -0.47 116.67 123.85 3h89 s ASP 137 Ca 0.21 -0.96 0.10 0.00 0.43 0.00 0.00 52.55 52.33 3h89 s ASP 137 Cb 0.02 -2.38 0.57 0.00 -0.30 0.00 0.00 42.92 40.82 3h89 s ASP 137 CO 0.04 -1.28 1.56 0.00 -0.17 0.00 0.00 175.17 175.33 3h89 n ALA 138 N 7.22 4.18 -0.21 3.66 0.00 -1.26 -4.78 120.51 129.32 3h89 n ALA 138 Ca -0.04 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.61 3h89 n ALA 138 Cb 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.84 2.24 3.06 0.00 0.00 -1.26 -4.75 105.19 103.63 3h89 n GLY 139 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 0.15 0.06 0.24 1.61 3.76 -1.26 -5.04 115.29 114.82 3h89 s HIS 140 Ca 0.00 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.67 3h89 s HIS 140 Cb 0.00 -0.06 0.35 0.00 1.11 0.00 0.00 32.58 33.98 3h89 s HIS 140 CO 0.00 -0.22 1.60 0.93 -0.85 0.00 0.00 174.74 176.19 3h89 h GLU 141 N 4.69 0.00 -0.62 1.40 5.08 -2.00 -1.72 114.58 121.42 3h89 h GLU 141 Ca -0.30 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.18 3h89 h GLU 141 Cb 1.20 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 3h89 h GLU 141 CO 0.41 0.00 0.15 0.66 -1.00 0.00 0.00 179.01 179.23 3h89 h SER 142 N 0.00 0.03 0.02 1.42 4.64 -1.96 0.29 113.55 118.00 3h89 h SER 142 Ca 0.39 0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3h89 h SER 142 Cb 0.60 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3h89 h SER 142 CO -0.83 0.02 -0.01 0.15 -0.87 0.00 0.00 176.83 175.29 3h89 h PHE 143 N 0.28 -0.02 -0.46 4.77 3.57 -1.64 0.85 116.94 124.29 3h89 h PHE 143 Ca 0.33 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.86 3h89 h PHE 143 Cb 0.49 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3h89 h PHE 143 CO -0.24 0.02 0.30 1.25 -2.23 0.00 0.00 178.31 177.41 3h89 h LEU 144 N -0.05 0.43 -2.06 0.59 5.85 -1.21 -1.67 115.31 117.18 3h89 h LEU 144 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3h89 h LEU 144 Cb 0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3h89 h LEU 144 CO 0.00 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 3h89 n PHE 145 N -4.48 0.41 -1.62 1.25 3.72 0.04 -4.89 117.46 111.89 3h89 n PHE 145 Ca 0.05 -0.21 -0.49 0.00 -0.05 0.00 0.00 57.45 56.76 3h89 n PHE 145 Cb 0.15 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.27 1.79 -0.01 1.38 9.36 0.26 -4.90 117.16 126.31 3h89 n TYR 146 Ca 0.18 0.51 -0.02 0.00 3.32 0.00 0.00 57.90 61.89 3h89 n TYR 146 Cb 0.56 -2.40 -0.01 0.00 -0.63 0.00 0.00 39.34 36.85 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 2.62 0.06 -3.61 2.98 5.02 -1.26 -2.33 118.16 121.65 3h89 n LYS 147 Ca 0.17 0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.41 3h89 n LYS 147 Cb 0.24 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.47 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 -2.05 1.05 0.30 1.97 4.04 -1.26 -3.23 118.70 119.52 3h89 s GLU 148 Ca -0.04 -0.48 0.00 0.00 0.04 0.00 0.00 54.97 54.49 3h89 s GLU 148 Cb 0.01 0.42 0.00 0.00 0.02 0.00 0.00 34.13 34.58 3h89 s GLU 148 CO 0.05 -0.47 0.00 0.41 -1.84 0.00 0.00 175.26 173.41 3h89 n GLY 149 N -0.35 -2.10 3.67 -3.83 0.00 -1.26 -4.86 105.19 96.45 3h89 n GLY 149 Ca -0.08 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.15 4.94 0.09 -0.61 1.01 -1.26 -3.98 121.20 121.25 3h89 s ILE 150 Ca 0.00 1.46 -0.30 0.00 0.00 0.00 0.00 60.65 61.81 3h89 s ILE 150 Cb 0.00 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3h89 s ILE 150 CO 0.00 0.08 1.06 -0.47 0.00 0.00 0.00 174.94 175.61 3h89 s TYR 151 N 1.93 3.62 -0.27 3.97 5.04 0.20 -4.87 117.35 126.97 3h89 s TYR 151 Ca 0.35 1.60 -0.01 0.00 -2.44 0.00 0.00 57.07 56.57 3h89 s TYR 151 Cb -0.16 -3.22 0.14 0.00 0.35 0.00 0.00 41.96 39.06 3h89 s TYR 151 CO 0.12 -0.44 0.33 0.12 -1.34 0.00 0.00 175.55 174.33 3h89 s PHE 152 N 0.42 -0.63 -0.55 4.97 5.36 -1.26 -2.07 117.98 124.22 3h89 s PHE 152 Ca 0.52 0.15 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 3h89 s PHE 152 Cb -0.26 -0.30 0.09 0.00 -0.34 0.00 0.00 43.02 42.21 3h89 s PHE 152 CO 0.31 -0.87 0.61 -2.00 -1.46 0.00 0.00 175.22 171.80 3h89 s GLU 153 N 2.43 3.04 0.58 10.12 2.56 -1.26 -4.92 118.70 131.24 3h89 s GLU 153 Ca 0.10 -1.30 0.33 0.00 0.00 0.00 0.00 54.97 54.09 3h89 s GLU 153 Cb -0.14 -4.22 1.40 0.00 2.00 0.00 0.00 34.13 33.17 3h89 s GLU 153 CO -0.27 -1.36 1.70 -1.35 -0.56 0.00 0.00 175.26 173.42 3h89 h PRO 154 N 9.03 0.00 -0.65 4.30 0.11 -2.05 0.51 132.00 143.25 3h89 h PRO 154 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3h89 h PRO 154 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h89 h PRO 154 CO 1.03 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 175.35 3h89 n ASP 155 N -3.79 3.95 -4.76 -2.05 2.03 -1.26 -4.98 116.55 105.69 3h89 n ASP 155 Ca 0.21 -2.20 -0.34 0.00 0.52 0.00 0.00 54.79 52.98 3h89 n ASP 155 Cb 1.18 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.26 4.07 -0.05 0.00 0.15 -1.26 -4.75 113.70 109.60 3h89 s SER 157 Ca 0.70 -0.42 0.18 0.00 0.70 0.00 0.00 55.95 57.12 3h89 s SER 157 Cb -0.23 -0.71 0.59 0.00 -1.71 0.00 0.00 66.02 63.96 3h89 s SER 157 CO 0.38 0.22 1.50 -1.20 1.20 0.00 0.00 173.24 175.35 3h89 n SER 158 N 1.15 3.99 0.00 5.45 7.64 -1.26 -3.16 113.62 127.44 3h89 n SER 158 Ca -0.15 -2.20 -0.01 0.00 1.01 0.00 0.00 58.87 57.51 3h89 n SER 158 Cb 0.52 -0.47 -0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3h89 n SER 158 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3h89 n GLU 159 N 1.11 0.03 -2.72 1.43 1.02 -1.26 -4.58 120.64 115.67 3h89 n GLU 159 Ca 0.22 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.94 3h89 n GLU 159 Cb 0.68 -0.56 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 -3.16 5.46 -4.81 1.62 5.68 -1.26 -5.01 116.55 115.06 3h89 n ASP 160 Ca -0.03 -3.14 -0.33 0.00 -0.50 0.00 0.00 54.79 50.79 3h89 n ASP 160 Cb 0.43 -1.44 -0.01 0.00 -1.14 0.00 0.00 41.12 38.95 3h89 n ASP 160 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3h89 s MET 161 N -0.21 3.59 0.00 0.11 -1.94 -1.26 -4.56 119.30 115.03 3h89 s MET 161 Ca 0.38 1.18 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 3h89 s MET 161 Cb 0.04 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.80 3h89 s MET 161 CO 0.02 -0.59 0.12 -0.40 -0.01 0.00 0.00 175.02 174.16 3h89 n ASP 162 N -1.66 0.00 -3.86 3.03 5.75 0.37 -4.86 116.55 115.33 3h89 n ASP 162 Ca 0.08 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.65 3h89 n ASP 162 Cb 0.53 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.45 3h89 n ASP 162 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3h89 s HIS 163 N 0.00 0.74 -0.01 2.11 5.04 -0.24 -4.92 115.29 118.01 3h89 s HIS 163 Ca 0.00 -0.21 -0.23 0.00 -1.54 0.00 0.00 55.06 53.08 3h89 s HIS 163 Cb 0.00 -0.72 -0.05 0.00 0.04 0.00 0.00 32.58 31.85 3h89 s HIS 163 CO 0.00 -0.24 0.70 0.20 -2.34 0.00 0.00 174.74 173.05 3h89 s GLY 164 N 1.26 2.68 0.13 1.59 0.00 -1.26 -0.84 107.32 110.87 3h89 s GLY 164 Ca -0.06 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.83 3h89 s GLY 164 CO -0.02 1.03 0.15 3.33 0.00 0.00 0.00 173.10 177.59 3h89 n VAL 165 N 3.11 0.00 -4.57 1.40 0.24 -0.49 -4.68 118.33 113.33 3h89 n VAL 165 Ca -0.03 -0.74 -0.23 0.00 -2.04 0.00 0.00 64.34 61.30 3h89 n VAL 165 Cb 0.51 0.42 -0.16 0.00 -1.47 0.00 0.00 33.84 33.14 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 1.77 -0.27 1.34 2.96 -0.18 -2.22 118.68 122.08 3h89 s LEU 166 Ca 0.12 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 3h89 s LEU 166 Cb 0.00 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.89 3h89 s LEU 166 CO 0.09 0.08 0.22 -0.69 -1.32 0.00 0.00 176.35 174.73 3h89 s VAL 167 N 0.30 5.29 -1.00 1.68 1.01 -0.53 0.14 120.40 127.29 3h89 s VAL 167 Ca -0.07 0.25 0.19 0.00 0.00 0.00 0.00 61.98 62.36 3h89 s VAL 167 Cb -0.12 -3.56 -0.19 0.00 0.00 0.00 0.00 36.38 32.51 3h89 s VAL 167 CO 0.02 0.24 0.84 1.33 0.00 0.00 0.00 175.10 177.53 3h89 n VAL 168 N 4.99 0.00 -2.79 2.92 0.24 -0.08 -1.28 118.33 122.33 3h89 n VAL 168 Ca -0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 3h89 n VAL 168 Cb 0.52 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.91 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 1.45 -0.56 3.52 7.63 0.00 -1.23 -1.40 105.19 114.60 3h89 n GLY 169 Ca 0.04 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.19 -0.41 0.00 1.61 -0.85 -0.00 -0.88 117.35 113.63 3h89 s TYR 170 Ca 0.00 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 57.04 3h89 s TYR 170 Cb 0.00 0.49 0.00 0.00 0.38 0.00 0.00 41.96 42.83 3h89 s TYR 170 CO 0.00 -0.51 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 3h89 n GLY 171 N 0.23 2.05 3.24 5.49 0.00 -0.61 -0.46 105.19 115.13 3h89 n GLY 171 Ca -0.11 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.92 -0.01 0.46 1.61 -0.71 -1.26 -1.42 117.98 113.72 3h89 s PHE 172 Ca 0.00 -0.30 0.08 0.00 -1.04 0.00 0.00 56.93 55.66 3h89 s PHE 172 Cb 0.00 0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 3h89 s PHE 172 CO 0.00 -0.57 0.45 -1.21 -1.34 0.00 0.00 175.22 172.56 3h89 s GLU 173 N -3.44 2.47 -0.67 1.99 2.02 -1.26 -5.02 118.70 114.79 3h89 s GLU 173 Ca 0.01 -1.62 -0.03 0.00 0.02 0.00 0.00 54.97 53.35 3h89 s GLU 173 Cb 0.02 -2.39 0.21 0.00 0.10 0.00 0.00 34.13 32.07 3h89 s GLU 173 CO -0.09 -0.37 2.39 0.43 0.02 0.00 0.00 175.26 177.64 3h89 n SER 174 N -1.71 7.03 0.00 -0.19 7.64 -1.26 -4.96 113.62 120.18 3h89 n SER 174 Ca 0.04 -3.53 0.00 0.00 1.01 0.00 0.00 58.87 56.40 3h89 n SER 174 Cb 0.62 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.17 0.00 -4.87 6.43 6.94 -1.26 -5.30 115.26 117.37 3h89 n ASN 180 Ca 0.52 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.76 3h89 n ASN 180 Cb 0.38 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.75 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 3.27 0.09 -3.83 1.02 -1.26 -4.43 119.74 114.59 3h89 s LYS 181 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 3h89 s LYS 181 Cb 0.00 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3h89 s LYS 181 CO 0.00 0.61 0.23 1.52 -0.92 0.00 0.00 175.35 176.79 3h89 s TYR 182 N -1.44 0.07 -0.17 3.18 -0.85 -0.51 -0.54 117.35 117.10 3h89 s TYR 182 Ca 0.32 -0.46 -0.10 0.00 -0.52 0.00 0.00 57.07 56.31 3h89 s TYR 182 Cb -0.13 0.00 -0.05 0.00 0.38 0.00 0.00 41.96 42.17 3h89 s TYR 182 CO 0.25 -0.56 0.17 -1.58 -1.52 0.00 0.00 175.55 172.30 3h89 s TRP 183 N -3.73 3.48 -0.44 -3.49 0.52 0.12 -1.58 118.94 113.81 3h89 s TRP 183 Ca 0.04 0.44 -0.25 0.00 0.02 0.00 0.00 56.10 56.35 3h89 s TRP 183 Cb 0.04 -2.14 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 3h89 s TRP 183 CO -0.11 0.41 0.91 -1.17 0.02 0.00 0.00 176.95 177.01 3h89 s LEU 184 N -0.02 4.03 -0.12 2.99 0.20 -0.06 -1.77 118.68 123.93 3h89 s LEU 184 Ca 0.12 0.16 -0.02 0.00 0.69 0.00 0.00 54.13 55.08 3h89 s LEU 184 Cb -0.12 -3.18 -0.03 0.00 -0.43 0.00 0.00 46.19 42.44 3h89 s LEU 184 CO 0.01 -1.00 -0.06 -0.69 -0.29 0.00 0.00 176.35 174.32 3h89 s VAL 185 N 3.65 3.70 -0.21 1.68 1.01 -0.21 -0.90 120.40 129.12 3h89 s VAL 185 Ca 0.36 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3h89 s VAL 185 Cb -0.11 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3h89 s VAL 185 CO 0.25 0.54 0.09 -0.75 0.00 0.00 0.00 175.10 175.22 3h89 s LYS 186 N -0.07 3.94 0.35 2.72 2.20 0.36 -1.63 119.74 127.61 3h89 s LYS 186 Ca 0.01 -0.35 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 3h89 s LYS 186 Cb -0.13 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3h89 s LYS 186 CO 0.03 0.13 0.29 1.21 -0.36 0.00 0.00 175.35 176.64 3h89 s ASN 187 N 0.80 5.19 -0.44 1.43 2.47 -1.14 -1.01 114.94 122.24 3h89 s ASN 187 Ca 0.05 -0.56 0.04 0.00 0.42 0.00 0.00 52.86 52.81 3h89 s ASN 187 Cb -0.13 -0.89 0.43 0.00 -1.45 0.00 0.00 41.25 39.21 3h89 s ASN 187 CO 0.02 -0.39 1.34 -1.54 -3.72 0.00 0.00 177.10 172.82 3h89 n SER 188 N -1.37 5.43 -0.77 -4.21 3.41 -1.26 -4.44 113.62 110.40 3h89 n SER 188 Ca -0.01 -3.75 0.09 0.00 -0.26 0.00 0.00 58.87 54.93 3h89 n SER 188 Cb 0.60 -0.53 0.24 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.64 0.80 0.00 7.33 7.02 -1.14 -1.49 117.44 129.32 3h89 n TRP 189 Ca 0.45 -0.87 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 3h89 n TRP 189 Cb 0.75 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.36 3h89 n TRP 189 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h89 n GLY 190 N -0.58 -1.35 0.06 6.99 0.00 -0.34 -4.44 105.19 105.53 3h89 n GLY 190 Ca 0.20 -1.59 0.13 0.00 0.00 0.00 0.00 46.02 44.76 3h89 n GLY 190 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h89 n GLU 191 N -1.59 0.14 -0.00 1.61 1.02 -1.26 -3.50 120.64 117.05 3h89 n GLU 191 Ca 0.00 0.13 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 3h89 n GLU 191 Cb 0.00 -1.66 0.82 0.00 -0.02 0.00 0.00 31.44 30.57 3h89 n GLU 191 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3h89 n GLU 192 N -1.90 1.02 -4.33 3.49 -0.58 -1.26 -3.23 120.64 113.85 3h89 n GLU 192 Ca 0.06 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.46 3h89 n GLU 192 Cb 0.38 -1.44 -0.10 0.00 -0.57 0.00 0.00 31.44 29.72 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 -2.00 2.92 0.00 -0.32 -0.00 -1.23 -4.97 118.94 113.34 3h89 s TRP 193 Ca 0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 56.10 56.48 3h89 s TRP 193 Cb 0.19 -1.58 0.00 0.00 -0.00 0.00 0.00 33.47 32.08 3h89 s TRP 193 CO 0.32 0.42 0.00 0.41 -0.00 0.00 0.00 176.95 178.10 3h89 n GLY 194 N 1.21 1.80 3.43 5.86 0.00 -0.98 -0.61 105.19 115.89 3h89 n GLY 194 Ca -0.14 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.03 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 3.43 -1.29 1.61 -1.94 0.08 -4.39 119.30 116.80 3h89 s MET 195 Ca 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 3h89 s MET 195 Cb 0.00 -4.67 0.00 0.00 2.01 0.00 0.00 34.83 32.17 3h89 s MET 195 CO 0.00 -1.72 0.00 0.41 -0.01 0.00 0.00 175.02 173.70 3h89 n GLY 196 N 5.33 -0.13 0.00 -0.03 0.00 -1.25 0.27 105.19 109.39 3h89 n GLY 196 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.74 3.14 3.99 -0.02 0.00 0.22 -4.57 105.19 107.21 3h89 n GLY 197 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 1.90 -0.06 1.61 1.51 0.14 -2.90 117.35 116.71 3h89 s TYR 198 Ca 0.00 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.50 3h89 s TYR 198 Cb 0.00 -2.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.10 3h89 s TYR 198 CO 0.00 -1.41 0.63 0.54 -1.11 0.00 0.00 175.55 174.21 3h89 s VAL 199 N -2.97 0.01 -0.42 0.71 0.11 -0.65 -0.75 120.40 116.44 3h89 s VAL 199 Ca 0.63 -0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.56 3h89 s VAL 199 Cb -0.07 -0.95 0.10 0.00 -1.53 0.00 0.00 36.38 33.94 3h89 s VAL 199 CO 0.42 -0.03 0.25 -0.54 -3.33 0.00 0.00 175.10 171.86 3h89 s LYS 200 N -1.07 2.28 0.03 1.54 1.02 -1.26 -1.05 119.74 121.23 3h89 s LYS 200 Ca -0.10 -1.71 -0.28 0.00 0.02 0.00 0.00 55.97 53.89 3h89 s LYS 200 Cb -0.01 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3h89 s LYS 200 CO 0.08 -1.07 0.90 -1.64 -0.92 0.00 0.00 175.35 172.71 3h89 s MET 201 N 1.27 4.57 -0.13 1.68 -1.94 -0.73 0.59 119.30 124.60 3h89 s MET 201 Ca 0.06 1.29 -0.39 0.00 -1.71 0.00 0.00 55.69 54.94 3h89 s MET 201 Cb -0.24 -3.42 -0.16 0.00 2.01 0.00 0.00 34.83 33.02 3h89 s MET 201 CO -0.02 0.09 1.60 0.00 -0.01 0.00 0.00 175.02 176.68 3h89 n ALA 202 N 3.40 -0.44 -2.78 3.03 0.00 -0.88 0.13 120.51 122.97 3h89 n ALA 202 Ca 0.03 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.56 3h89 n ALA 202 Cb 0.50 -2.18 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 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 2.38 3.09 -1.47 0.00 2.20 0.30 -4.48 119.74 121.76 3h89 s LYS 203 Ca 0.93 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 56.08 3h89 s LYS 203 Cb -1.01 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 3h89 s LYS 203 CO 0.58 0.66 0.15 -0.25 -0.36 0.00 0.00 175.35 176.13 3h89 n ASP 204 N 1.34 -5.27 -3.07 1.43 8.00 -1.26 -4.53 116.55 113.19 3h89 n ASP 204 Ca -0.14 -0.08 -0.31 0.00 0.71 0.00 0.00 54.79 54.97 3h89 n ASP 204 Cb 0.53 -4.28 -0.02 0.00 -0.02 0.00 0.00 41.12 37.33 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 -2.94 3.79 -3.51 -1.24 5.12 -1.26 -4.88 116.66 111.74 3h89 n ARG 205 Ca -0.18 -4.75 -0.19 0.00 -1.93 0.00 0.00 57.85 50.80 3h89 n ARG 205 Cb 0.64 -2.30 0.06 0.00 -1.16 0.00 0.00 32.46 29.71 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 -0.23 -4.69 -3.75 5.56 1.74 -1.26 -2.93 116.66 111.11 3h89 n ARG 206 Ca 0.36 0.74 -0.29 0.00 -0.77 0.00 0.00 57.85 57.89 3h89 n ARG 206 Cb 0.38 -5.47 0.03 0.00 -1.02 0.00 0.00 32.46 26.37 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 -3.09 -3.71 -4.67 0.55 5.15 -1.26 -4.79 115.26 103.45 3h89 n ASN 207 Ca -0.23 -1.00 -0.50 0.00 -0.60 0.00 0.00 54.58 52.26 3h89 n ASN 207 Cb 0.66 -3.37 -0.05 0.00 -0.53 0.00 0.00 39.78 36.49 3h89 n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3h89 n HIS 208 N -4.24 2.15 -0.68 1.20 -0.00 -1.15 -0.99 115.22 111.52 3h89 n HIS 208 Ca -0.17 0.26 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3h89 n HIS 208 Cb 0.62 -2.55 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 3h89 n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3h89 n GLY 210 N -1.13 0.38 0.36 0.00 0.00 -0.16 -1.80 105.19 102.83 3h89 n GLY 210 Ca 0.00 -0.89 0.18 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.32 -0.42 -0.61 5.03 -1.70 -1.69 117.51 118.45 3h89 h ILE 211 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 3h89 h ILE 211 Cb 0.98 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 3h89 h ILE 211 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 3h89 n ALA 212 N -2.24 2.53 0.06 1.87 0.00 -1.26 -4.53 120.51 116.94 3h89 n ALA 212 Ca 0.03 -1.49 -0.00 0.00 0.00 0.00 0.00 53.44 51.98 3h89 n ALA 212 Cb 0.44 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 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 2.57 0.00 -1.08 0.00 0.02 -1.59 -3.30 113.55 110.17 3h89 h SER 213 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3h89 h SER 213 Cb 1.04 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.18 3h89 h SER 213 CO 0.09 0.62 -1.18 0.00 -1.14 0.00 0.00 176.83 175.22 3h89 n ALA 214 N -2.35 3.23 -2.23 3.77 0.00 -1.26 -4.82 120.51 116.85 3h89 n ALA 214 Ca -0.06 -3.12 -0.39 0.00 0.00 0.00 0.00 53.44 49.88 3h89 n ALA 214 Cb 0.83 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.98 3.56 0.14 0.00 0.00 -1.26 -3.70 121.76 117.53 3h89 s ALA 215 Ca 0.28 0.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 3h89 s ALA 215 Cb 0.45 -2.70 0.06 0.00 0.00 0.00 0.00 23.12 20.94 3h89 s ALA 215 CO 0.03 0.37 0.82 -1.54 0.00 0.00 0.00 175.76 175.44 3h89 s SER 216 N -1.09 -0.32 0.04 0.00 1.04 0.46 -1.55 113.70 112.29 3h89 s SER 216 Ca 0.30 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 3h89 s SER 216 Cb -0.20 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3h89 s SER 216 CO 0.20 -0.94 0.24 -0.72 0.98 0.00 0.00 173.24 173.00 3h89 s TYR 217 N -3.47 -0.02 0.20 5.02 1.13 -0.89 -0.78 117.35 118.54 3h89 s TYR 217 Ca 0.08 -0.17 -0.11 0.00 -1.41 0.00 0.00 57.07 55.46 3h89 s TYR 217 Cb -0.02 0.03 -0.07 0.00 -1.10 0.00 0.00 41.96 40.80 3h89 s TYR 217 CO -0.02 -0.46 0.55 -1.25 -2.51 0.00 0.00 175.55 171.85 3h89 s PRO 218 N -2.57 3.86 -0.29 -3.49 0.04 -1.26 -0.44 135.00 130.84 3h89 s PRO 218 Ca -0.05 0.35 -0.14 0.00 0.04 0.00 0.00 61.00 61.20 3h89 s PRO 218 Cb -0.01 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 3h89 s PRO 218 CO -0.04 0.38 0.33 0.95 0.04 0.00 0.00 177.00 178.66 3h89 s THR 219 N -1.68 5.20 -1.06 1.26 -4.23 -0.43 -4.90 115.64 109.80 3h89 s THR 219 Ca 0.44 0.33 0.08 0.00 -1.18 0.00 0.00 61.69 61.36 3h89 s THR 219 Cb -0.13 -3.70 0.07 0.00 1.34 0.00 0.00 72.50 70.08 3h89 s THR 219 CO 0.20 0.10 0.77 1.33 -0.54 0.00 0.00 174.62 176.48