#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwn n PRO 2 N 0.00 -1.34 0.08 0.00 -0.02 -1.26 -4.94 135.00 127.52 3hwn n PRO 2 Ca 0.00 -0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.03 3hwn n PRO 2 Cb 0.00 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3hwn n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hwn h ARG 3 N -2.02 0.11 -3.84 -0.52 3.08 -2.03 -3.46 114.38 105.71 3hwn h ARG 3 Ca -0.52 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.20 3hwn h ARG 3 Cb 1.33 0.05 -0.23 0.00 0.08 0.00 0.00 29.97 31.20 3hwn h ARG 3 CO 0.39 0.97 -0.68 -1.54 -1.07 0.00 0.00 179.97 178.04 3hwn s SER 4 N -6.87 0.13 0.02 7.04 1.04 -1.26 -4.41 113.70 109.40 3hwn s SER 4 Ca -0.01 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3hwn s SER 4 Cb 0.10 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3hwn s SER 4 CO 0.83 -0.21 -0.06 -0.69 0.98 0.00 0.00 173.24 174.09 3hwn s VAL 5 N -0.95 0.41 -0.34 5.02 1.01 -0.69 -4.97 120.40 119.89 3hwn s VAL 5 Ca -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3hwn s VAL 5 Cb -0.06 -0.44 0.16 0.00 0.00 0.00 0.00 36.38 36.04 3hwn s VAL 5 CO -0.00 -0.19 0.40 -0.62 0.00 0.00 0.00 175.10 174.69 3hwn s ASP 6 N -0.93 0.77 0.00 3.32 -1.08 -1.26 -1.28 116.67 116.21 3hwn s ASP 6 Ca -0.06 -1.10 0.10 0.00 -0.52 0.00 0.00 52.55 50.98 3hwn s ASP 6 Cb -0.06 0.83 0.48 0.00 -1.46 0.00 0.00 42.92 42.71 3hwn s ASP 6 CO 0.00 -0.29 1.26 0.79 0.52 0.00 0.00 175.17 177.45 3hwn n TRP 7 N 4.68 0.00 0.23 -5.34 7.02 -0.24 -2.03 117.44 121.76 3hwn n TRP 7 Ca 0.07 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.65 3hwn n TRP 7 Cb 0.48 -0.38 0.55 0.00 -2.42 0.00 0.00 31.31 29.54 3hwn n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hwn h ARG 8 N 0.00 0.00 0.00 -0.99 3.08 -1.95 -2.93 114.38 111.60 3hwn h ARG 8 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3hwn h ARG 8 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3hwn h ARG 8 CO 0.00 0.21 -0.55 0.93 -1.07 0.00 0.00 179.97 179.49 3hwn h GLU 9 N 0.00 0.00 -0.02 0.04 4.39 -1.80 -3.33 114.58 113.87 3hwn h GLU 9 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hwn h GLU 9 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3hwn h GLU 9 CO 0.03 0.55 -0.23 1.63 -1.16 0.00 0.00 179.01 179.83 3hwn n LYS 10 N -3.69 1.44 -0.45 2.33 4.01 -1.15 -4.96 118.16 115.70 3hwn n LYS 10 Ca -0.01 -1.07 0.00 0.00 -0.51 0.00 0.00 58.31 56.73 3hwn n LYS 10 Cb 0.60 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.64 3hwn n LYS 10 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hwn n GLY 11 N 1.34 0.74 0.39 0.72 0.00 -1.23 -4.99 105.19 102.16 3hwn n GLY 11 Ca 0.13 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3hwn n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hwn n TYR 12 N -2.45 0.00 -4.54 1.61 4.02 -1.12 -4.74 117.16 109.95 3hwn n TYR 12 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 3hwn n TYR 12 Cb 0.00 -0.07 -0.16 0.00 -0.02 0.00 0.00 39.34 39.10 3hwn n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hwn s VAL 13 N -2.38 1.01 0.51 -0.72 1.01 -1.26 -3.61 120.40 114.96 3hwn s VAL 13 Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3hwn s VAL 13 Cb 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.68 3hwn s VAL 13 CO 0.49 0.31 0.77 0.42 0.00 0.00 0.00 175.10 177.09 3hwn s THR 14 N 0.27 3.80 1.14 3.92 -4.23 -1.26 -5.00 115.64 114.28 3hwn s THR 14 Ca -0.06 -0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.00 3hwn s THR 14 Cb -0.11 -3.45 0.18 0.00 1.34 0.00 0.00 72.50 70.46 3hwn s THR 14 CO 0.01 -0.38 0.39 -2.65 -0.54 0.00 0.00 174.62 171.46 3hwn n PRO 15 N -2.30 -1.93 -2.71 3.99 -0.02 -1.26 -4.94 135.00 125.82 3hwn n PRO 15 Ca 0.03 -0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 60.58 3hwn n PRO 15 Cb 0.58 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.12 3hwn n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hwn s VAL 16 N -2.30 4.02 0.45 -1.45 1.01 -1.26 -5.08 120.40 115.80 3hwn s VAL 16 Ca 0.61 1.88 0.05 0.00 0.00 0.00 0.00 61.98 64.51 3hwn s VAL 16 Cb -0.17 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3hwn s VAL 16 CO 0.66 0.33 0.03 -0.54 0.00 0.00 0.00 175.10 175.57 3hwn s LYS 17 N -1.60 2.07 -0.10 2.72 1.02 -1.26 -4.67 119.74 117.93 3hwn s LYS 17 Ca 0.46 -2.21 0.04 0.00 0.02 0.00 0.00 55.97 54.28 3hwn s LYS 17 Cb -0.24 -1.63 -0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3hwn s LYS 17 CO 0.30 -0.19 -0.24 1.21 -0.92 0.00 0.00 175.35 175.51 3hwn s ASN 18 N -3.80 3.09 0.00 2.83 3.84 -1.26 -1.23 114.94 118.41 3hwn s ASN 18 Ca 0.24 -0.56 0.26 0.00 0.21 0.00 0.00 52.86 53.01 3hwn s ASN 18 Cb 0.06 -1.35 0.62 0.00 -0.55 0.00 0.00 41.25 40.03 3hwn s ASN 18 CO 0.13 0.17 1.48 0.00 -2.79 0.00 0.00 177.10 176.09 3hwn n GLN 19 N 3.46 1.14 0.00 0.43 10.64 0.09 -4.87 117.38 128.27 3hwn n GLN 19 Ca -0.19 -0.75 0.00 0.00 -1.83 0.00 0.00 57.00 54.23 3hwn n GLN 19 Cb 0.53 -1.48 0.00 0.00 -0.86 0.00 0.00 30.24 28.42 3hwn n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hwn n GLY 20 N 1.33 0.48 0.21 2.61 0.00 -1.26 -3.73 105.19 104.82 3hwn n GLY 20 Ca 0.13 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3hwn n GLY 20 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hwn h GLN 21 N 0.00 0.00 -6.35 1.61 1.08 -1.97 -3.45 115.11 106.03 3hwn h GLN 21 Ca 0.00 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.56 3hwn h GLN 21 Cb 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.51 3hwn h GLN 21 CO 0.00 0.11 0.28 0.00 -0.95 0.00 0.00 178.83 178.27 3hwn n GLY 23 N 1.99 3.42 1.30 0.00 0.00 -0.97 -4.61 105.19 106.33 3hwn n GLY 23 Ca 0.15 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.93 3hwn n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hwn n SER 24 N 2.89 3.81 -0.32 1.61 3.41 -1.26 -3.90 113.62 119.86 3hwn n SER 24 Ca 0.55 -2.36 0.18 0.00 -0.26 0.00 0.00 58.87 56.99 3hwn n SER 24 Cb 0.67 -0.51 0.38 0.00 -0.26 0.00 0.00 64.21 64.49 3hwn n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwn h TRP 26 N 0.29 0.31 -0.08 0.00 5.08 -1.82 -2.38 115.95 117.35 3hwn h TRP 26 Ca 0.65 0.01 -0.23 0.00 1.08 0.00 0.00 58.89 60.39 3hwn h TRP 26 Cb 1.39 -0.10 0.01 0.00 -3.00 0.00 0.00 29.16 27.46 3hwn h TRP 26 CO -0.13 0.14 -0.86 0.00 -1.28 0.00 0.00 178.44 176.31 3hwn h ALA 27 N 1.72 0.32 -0.01 0.11 0.00 -0.98 -2.92 119.26 117.50 3hwn h ALA 27 Ca 0.26 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3hwn h ALA 27 Cb 0.63 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hwn h ALA 27 CO -0.06 0.72 -0.59 0.74 0.00 0.00 0.00 179.25 180.06 3hwn h PHE 28 N 0.42 0.05 -0.79 0.00 -1.00 -1.48 -1.62 116.94 112.52 3hwn h PHE 28 Ca -0.07 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 3hwn h PHE 28 Cb 1.49 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 41.01 3hwn h PHE 28 CO 0.08 0.62 0.30 1.03 -1.61 0.00 0.00 178.31 178.72 3hwn h SER 29 N 0.03 1.11 0.26 2.17 0.87 -1.43 -1.98 113.55 114.59 3hwn h SER 29 Ca -0.01 -0.18 -0.33 0.00 -1.23 0.00 0.00 61.79 60.04 3hwn h SER 29 Cb 1.04 -0.29 0.04 0.00 -0.44 0.00 0.00 62.40 62.75 3hwn h SER 29 CO 0.08 0.99 -1.42 0.00 -0.53 0.00 0.00 176.83 175.94 3hwn h ALA 30 N 1.16 -0.12 0.00 6.23 0.00 -1.34 -2.81 119.26 122.38 3hwn h ALA 30 Ca 0.26 -0.84 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 3hwn h ALA 30 Cb 0.24 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hwn h ALA 30 CO -0.02 0.71 -0.26 1.79 0.00 0.00 0.00 179.25 181.47 3hwn h THR 31 N 0.17 1.19 0.24 0.00 1.35 -1.36 -2.40 112.91 112.09 3hwn h THR 31 Ca -0.24 -0.89 -0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3hwn h THR 31 Cb 2.11 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 70.00 3hwn h THR 31 CO 0.27 0.25 -0.18 1.23 -0.25 0.00 0.00 175.52 176.84 3hwn h GLY 32 N 0.78 -0.43 0.79 5.82 0.00 -1.16 -0.84 103.07 108.03 3hwn h GLY 32 Ca -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3hwn h GLY 32 CO 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 176.54 176.41 3hwn h ALA 33 N 0.30 0.09 -0.09 3.60 0.00 -1.33 -2.27 119.26 119.56 3hwn h ALA 33 Ca -0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3hwn h ALA 33 Cb 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hwn h ALA 33 CO -0.00 -0.28 -0.37 1.25 0.00 0.00 0.00 179.25 179.84 3hwn h LEU 34 N -0.12 0.19 -0.30 0.00 5.85 -1.49 0.03 115.31 119.46 3hwn h LEU 34 Ca 0.02 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3hwn h LEU 34 Cb 0.25 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3hwn h LEU 34 CO 0.00 0.55 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.21 3hwn h GLU 35 N 0.16 -0.05 -0.84 1.25 5.08 -1.06 -1.81 114.58 117.32 3hwn h GLU 35 Ca 0.02 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hwn h GLU 35 Cb 0.73 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3hwn h GLU 35 CO 0.06 -0.03 0.55 0.78 -1.00 0.00 0.00 179.01 179.36 3hwn h GLY 36 N -0.05 1.19 1.50 -3.84 0.00 -0.45 -2.59 103.07 98.83 3hwn h GLY 36 Ca 0.15 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3hwn h GLY 36 CO -0.34 0.41 -0.74 1.46 0.00 0.00 0.00 176.54 177.32 3hwn h GLN 37 N 1.11 0.00 -0.40 4.80 1.08 -1.09 -2.92 115.11 117.69 3hwn h GLN 37 Ca 0.31 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.37 3hwn h GLN 37 Cb -0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3hwn h GLN 37 CO -0.08 0.21 -0.33 0.52 -0.95 0.00 0.00 178.83 178.20 3hwn h MET 38 N 0.00 0.92 -0.19 1.46 2.86 -1.22 -0.74 114.93 118.02 3hwn h MET 38 Ca -0.04 -0.45 -0.09 0.00 -2.06 0.00 0.00 59.70 57.05 3hwn h MET 38 Cb 1.25 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3hwn h MET 38 CO 0.03 1.11 -0.29 0.35 1.06 0.00 0.00 176.91 179.17 3hwn h PHE 39 N 0.77 0.42 -0.18 -0.22 3.57 -1.49 0.32 116.94 120.14 3hwn h PHE 39 Ca 0.08 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3hwn h PHE 39 Cb 0.91 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3hwn h PHE 39 CO 0.06 0.63 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.48 3hwn h ARG 40 N 0.33 0.45 -0.45 1.11 2.43 -1.50 0.23 114.38 116.98 3hwn h ARG 40 Ca 0.05 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3hwn h ARG 40 Cb 0.68 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3hwn h ARG 40 CO 0.05 0.82 0.27 -0.22 -1.51 0.00 0.00 179.97 179.38 3hwn h LYS 41 N 0.10 0.52 0.00 0.20 3.64 -0.95 -3.40 116.57 116.68 3hwn h LYS 41 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hwn h LYS 41 Cb 0.75 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3hwn h LYS 41 CO 0.05 0.34 0.00 0.25 -2.27 0.00 0.00 179.45 177.82 3hwn n THR 42 N -4.83 0.00 -0.34 1.00 -2.24 0.11 -5.02 114.28 102.96 3hwn n THR 42 Ca 0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3hwn n THR 42 Cb 0.07 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3hwn n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwn n GLY 43 N 0.50 1.43 3.41 3.38 0.00 0.80 -4.97 105.19 109.74 3hwn n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hwn n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwn s ARG 44 N -0.14 3.57 -0.27 1.61 0.52 -1.26 -4.97 118.95 118.01 3hwn s ARG 44 Ca 0.00 -0.52 -0.21 0.00 -0.52 0.00 0.00 55.73 54.47 3hwn s ARG 44 Cb 0.00 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 3hwn s ARG 44 CO 0.00 -0.20 0.68 -1.17 0.02 0.00 0.00 175.30 174.63 3hwn s LEU 45 N 1.58 4.08 -0.08 2.53 2.96 -1.26 -3.89 118.68 124.61 3hwn s LEU 45 Ca 0.06 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3hwn s LEU 45 Cb -0.15 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.64 3hwn s LEU 45 CO 0.02 -0.45 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.95 3hwn s ILE 46 N 2.64 0.55 0.44 6.68 1.01 -1.26 -5.10 121.20 126.17 3hwn s ILE 46 Ca 0.28 -0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.68 3hwn s ILE 46 Cb -0.15 -0.67 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 3hwn s ILE 46 CO 0.09 0.29 1.38 -0.24 0.00 0.00 0.00 174.94 176.46 3hwn n SER 47 N 5.01 3.06 -4.41 3.58 2.88 -1.26 -4.78 113.62 117.70 3hwn n SER 47 Ca -0.10 1.11 -0.29 0.00 -1.33 0.00 0.00 58.87 58.26 3hwn n SER 47 Cb 0.50 -1.57 -0.13 0.00 -0.75 0.00 0.00 64.21 62.26 3hwn n SER 47 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hwn s LEU 48 N -2.37 2.39 -0.32 2.46 1.43 -1.26 -2.00 118.68 119.01 3hwn s LEU 48 Ca 0.61 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 3hwn s LEU 48 Cb -0.47 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3hwn s LEU 48 CO 0.57 0.20 1.28 -0.55 0.23 0.00 0.00 176.35 178.09 3hwn s SER 49 N -1.84 6.67 0.31 2.29 0.15 -0.59 -4.20 113.70 116.49 3hwn s SER 49 Ca 0.14 1.13 0.17 0.00 0.70 0.00 0.00 55.95 58.09 3hwn s SER 49 Cb -0.10 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 3hwn s SER 49 CO 0.06 -1.09 1.47 -0.33 1.20 0.00 0.00 173.24 174.55 3hwn h GLU 50 N 9.27 0.00 -0.24 5.44 3.07 -1.88 -3.28 114.58 126.96 3hwn h GLU 50 Ca -0.26 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.57 3hwn h GLU 50 Cb 1.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3hwn h GLU 50 CO 1.04 0.39 -0.00 0.37 -1.40 0.00 0.00 179.01 179.41 3hwn h GLN 51 N 0.00 0.43 -0.72 2.33 5.75 -1.86 -2.47 115.11 118.57 3hwn h GLN 51 Ca -0.01 -0.14 0.11 0.00 -0.15 0.00 0.00 58.65 58.47 3hwn h GLN 51 Cb 1.30 -0.04 -0.12 0.00 1.07 0.00 0.00 27.48 29.69 3hwn h GLN 51 CO 0.05 0.60 -0.40 -0.97 -2.65 0.00 0.00 178.83 175.47 3hwn h ASN 52 N 0.20 -1.40 -0.14 -0.69 -0.73 -1.79 -0.02 115.58 111.01 3hwn h ASN 52 Ca 0.07 0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.50 3hwn h ASN 52 Cb 0.41 0.68 -0.01 0.00 0.27 0.00 0.00 38.32 39.67 3hwn h ASN 52 CO 0.01 -0.31 0.09 -0.07 -0.37 0.00 0.00 177.43 176.78 3hwn h LEU 53 N -0.13 0.17 -0.90 0.34 3.38 -1.60 -0.93 115.31 115.64 3hwn h LEU 53 Ca 0.24 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3hwn h LEU 53 Cb 0.56 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3hwn h LEU 53 CO -0.78 0.16 0.57 0.58 0.09 0.00 0.00 178.44 179.06 3hwn h VAL 54 N 0.16 1.08 0.00 1.22 2.07 -0.92 -1.71 116.25 118.14 3hwn h VAL 54 Ca 0.05 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 3hwn h VAL 54 Cb 0.02 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3hwn h VAL 54 CO -0.01 0.19 -0.57 0.44 0.02 0.00 0.00 177.57 177.65 3hwn h ASP 55 N 1.06 0.00 0.00 0.57 3.32 -0.71 -3.38 116.42 117.28 3hwn h ASP 55 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3hwn h ASP 55 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3hwn h ASP 55 CO -0.16 0.57 -0.79 0.00 -1.72 0.00 0.00 179.24 177.13 3hwn n SER 57 N -1.23 3.13 -0.25 0.00 3.41 -0.67 -4.38 113.62 113.63 3hwn n SER 57 Ca 0.00 -2.38 -0.03 0.00 -0.26 0.00 0.00 58.87 56.20 3hwn n SER 57 Cb 0.00 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 63.50 3hwn n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hwn h GLY 58 N 4.65 1.00 2.00 5.00 0.00 -1.82 -2.63 103.07 111.26 3hwn h GLY 58 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3hwn h GLY 58 CO 0.20 0.28 0.00 -2.55 0.00 0.00 0.00 176.54 174.47 3hwn h PRO 59 N 0.85 0.00 0.00 4.80 0.11 -1.87 -1.74 132.00 134.16 3hwn h PRO 59 Ca 0.28 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.25 3hwn h PRO 59 Cb 0.01 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 3hwn h PRO 59 CO -0.11 0.00 -0.98 1.96 -0.21 0.00 0.00 178.00 178.67 3hwn h GLN 60 N 0.00 0.00 0.00 1.05 7.50 -1.80 -3.48 115.11 118.38 3hwn h GLN 60 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hwn h GLN 60 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 3hwn h GLN 60 CO 0.00 0.42 0.00 0.41 -1.50 0.00 0.00 178.83 178.16 3hwn n GLY 61 N 1.31 0.77 3.70 3.46 0.00 -0.65 -4.96 105.19 108.82 3hwn n GLY 61 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3hwn n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hwn s ASN 62 N 0.00 3.23 -0.01 1.61 0.01 -1.07 -4.96 114.94 113.74 3hwn s ASN 62 Ca 0.00 1.48 0.18 0.00 -0.71 0.00 0.00 52.86 53.81 3hwn s ASN 62 Cb 0.00 -2.16 0.31 0.00 0.41 0.00 0.00 41.25 39.81 3hwn s ASN 62 CO 0.00 -2.79 1.12 -0.62 -1.51 0.00 0.00 177.10 173.30 3hwn n GLU 63 N -3.98 0.08 0.00 -0.60 1.02 0.01 -4.35 120.64 112.82 3hwn n GLU 63 Ca 0.07 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.43 3hwn n GLU 63 Cb 0.55 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 3hwn n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hwn n GLY 64 N 0.26 2.54 0.13 0.62 0.00 -1.16 -2.35 105.19 105.24 3hwn n GLY 64 Ca 0.05 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3hwn n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwn n ASN 66 N -2.49 0.00 0.00 0.00 4.13 -0.99 -2.30 115.26 113.61 3hwn n ASN 66 Ca 0.04 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.68 3hwn n ASN 66 Cb 0.47 -0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.59 3hwn n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hwn n GLY 67 N 1.07 1.72 0.56 7.41 0.00 -1.10 -4.94 105.19 109.91 3hwn n GLY 67 Ca 0.20 -2.17 0.01 0.00 0.00 0.00 0.00 46.02 44.05 3hwn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 68 N -1.19 0.39 3.28 -0.02 0.00 -1.26 -0.81 105.19 105.58 3hwn n GLY 68 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 3hwn n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hwn s LEU 69 N 0.00 2.07 0.31 0.99 1.43 -1.26 -4.74 118.68 117.49 3hwn s LEU 69 Ca 0.05 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 3hwn s LEU 69 Cb -0.00 -1.36 0.76 0.00 0.03 0.00 0.00 46.19 45.61 3hwn s LEU 69 CO -0.00 0.27 1.79 0.24 0.23 0.00 0.00 176.35 178.88 3hwn h MET 70 N 5.86 0.73 -0.51 1.70 2.86 -1.99 -1.22 114.93 122.37 3hwn h MET 70 Ca -0.36 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.12 3hwn h MET 70 Cb 1.16 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3hwn h MET 70 CO 0.47 0.48 -0.15 -0.44 1.06 0.00 0.00 176.91 178.33 3hwn h ASP 71 N 0.75 1.01 0.30 1.22 5.19 -1.96 -1.50 116.42 121.43 3hwn h ASP 71 Ca 0.56 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3hwn h ASP 71 Cb 0.89 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 3hwn h ASP 71 CO -0.35 1.15 -0.07 1.88 -3.12 0.00 0.00 179.24 178.73 3hwn h TYR 72 N 0.86 0.00 0.19 4.55 0.05 -1.63 -0.03 116.97 120.96 3hwn h TYR 72 Ca 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 3hwn h TYR 72 Cb 0.72 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.46 3hwn h TYR 72 CO 0.05 0.07 -0.09 0.00 -1.05 0.00 0.00 178.16 177.14 3hwn h ALA 73 N 1.93 -0.25 -0.13 3.88 0.00 -0.51 -2.68 119.26 121.51 3hwn h ALA 73 Ca -0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hwn h ALA 73 Cb 0.24 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hwn h ALA 73 CO 0.01 -0.39 -0.12 0.74 0.00 0.00 0.00 179.25 179.49 3hwn h PHE 74 N -0.76 0.20 -0.71 0.00 0.04 -0.84 -0.38 116.94 114.48 3hwn h PHE 74 Ca -0.03 -0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 3hwn h PHE 74 Cb 0.51 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3hwn h PHE 74 CO 0.06 0.32 0.26 0.37 -0.60 0.00 0.00 178.31 178.72 3hwn h GLN 75 N 0.19 1.07 -0.39 1.51 5.75 -1.10 -1.79 115.11 120.34 3hwn h GLN 75 Ca 0.04 -0.20 -0.09 0.00 -0.15 0.00 0.00 58.65 58.25 3hwn h GLN 75 Cb 0.34 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 3hwn h GLN 75 CO 0.02 0.89 -0.10 -0.92 -2.65 0.00 0.00 178.83 176.07 3hwn h TYR 76 N 1.04 0.85 0.00 3.99 3.20 -0.73 0.63 116.97 125.96 3hwn h TYR 76 Ca 0.24 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 3hwn h TYR 76 Cb 0.24 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3hwn h TYR 76 CO 0.02 0.89 -0.34 0.28 -1.64 0.00 0.00 178.16 177.38 3hwn h VAL 77 N 0.57 1.24 -0.22 1.81 2.07 -1.39 1.41 116.25 121.74 3hwn h VAL 77 Ca 0.10 -1.15 -0.16 0.00 0.82 0.00 0.00 66.70 66.30 3hwn h VAL 77 Cb 0.62 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3hwn h VAL 77 CO 0.04 0.33 -0.51 -0.61 0.02 0.00 0.00 177.57 176.84 3hwn h GLN 78 N 0.00 0.73 -0.36 1.57 4.15 -0.96 -2.87 115.11 117.38 3hwn h GLN 78 Ca -0.00 -0.49 -0.12 0.00 0.77 0.00 0.00 58.65 58.81 3hwn h GLN 78 Cb 0.59 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3hwn h GLN 78 CO 0.04 1.11 -0.24 -0.44 -1.93 0.00 0.00 178.83 177.38 3hwn h ASP 79 N 0.45 0.83 0.68 -0.69 3.32 -0.62 -3.26 116.42 117.12 3hwn h ASP 79 Ca -0.00 -0.43 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3hwn h ASP 79 Cb 1.12 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3hwn h ASP 79 CO 0.11 1.08 0.00 -3.20 -1.72 0.00 0.00 179.24 175.51 3hwn n ASN 80 N -4.24 0.12 -1.16 6.45 5.15 0.48 -4.87 115.26 117.19 3hwn n ASN 80 Ca -0.02 0.52 -0.15 0.00 -0.60 0.00 0.00 54.58 54.33 3hwn n ASN 80 Cb 0.45 -0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 39.08 3hwn n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwn n GLY 81 N 0.38 1.49 0.00 8.20 0.00 -1.10 -4.90 105.19 109.27 3hwn n GLY 81 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hwn n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 82 N -0.48 2.26 2.79 -0.02 0.00 -1.11 -4.94 105.19 103.69 3hwn n GLY 82 Ca -0.15 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 3hwn n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwn s LEU 83 N 0.00 1.10 0.82 0.99 2.96 -0.93 -4.62 118.68 119.00 3hwn s LEU 83 Ca 0.00 0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.80 3hwn s LEU 83 Cb 0.00 -0.14 0.09 0.00 0.50 0.00 0.00 46.19 46.64 3hwn s LEU 83 CO 0.00 -0.12 1.14 -1.81 -1.32 0.00 0.00 176.35 174.24 3hwn s ASP 84 N 1.08 3.76 0.49 3.68 1.11 -1.26 -1.97 116.67 123.56 3hwn s ASP 84 Ca -0.09 2.11 -0.18 0.00 0.18 0.00 0.00 52.55 54.57 3hwn s ASP 84 Cb -0.13 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.21 3hwn s ASP 84 CO -0.02 -2.54 0.99 -0.94 1.18 0.00 0.00 175.17 173.83 3hwn s SER 85 N -2.73 6.62 0.17 0.27 1.04 -1.16 -1.54 113.70 116.38 3hwn s SER 85 Ca 0.67 1.67 -0.15 0.00 0.48 0.00 0.00 55.95 58.62 3hwn s SER 85 Cb -0.22 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.51 3hwn s SER 85 CO 0.54 -0.59 1.70 -0.08 0.98 0.00 0.00 173.24 175.79 3hwn h GLU 86 N 1.26 0.12 -0.79 4.02 4.57 -1.57 -2.68 114.58 119.51 3hwn h GLU 86 Ca -0.48 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 57.84 3hwn h GLU 86 Cb 1.19 -0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 29.61 3hwn h GLU 86 CO 0.61 0.08 -0.26 1.49 -1.18 0.00 0.00 179.01 179.74 3hwn h GLU 87 N 0.12 -0.04 -0.01 1.92 4.22 -1.94 -0.74 114.58 118.12 3hwn h GLU 87 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.66 3hwn h GLU 87 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3hwn h GLU 87 CO -0.35 -0.02 -0.33 -1.13 -2.18 0.00 0.00 179.01 175.00 3hwn n SER 88 N -5.50 1.13 -3.15 1.04 3.41 -1.18 -4.41 113.62 104.95 3hwn n SER 88 Ca 0.10 -0.93 -0.19 0.00 -0.26 0.00 0.00 58.87 57.59 3hwn n SER 88 Cb 0.40 0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 3hwn n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwn n TYR 89 N -0.65 -0.20 -1.83 7.33 4.19 -0.35 -5.00 117.16 120.65 3hwn n TYR 89 Ca 0.11 -3.62 -0.34 0.00 3.31 0.00 0.00 57.90 57.36 3hwn n TYR 89 Cb 0.36 -0.24 0.05 0.00 0.49 0.00 0.00 39.34 40.01 3hwn n TYR 89 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3hwn s PRO 90 N -1.93 2.77 0.31 2.98 0.02 -0.83 -4.42 135.00 133.90 3hwn s PRO 90 Ca 0.38 1.64 -0.29 0.00 0.02 0.00 0.00 61.00 62.75 3hwn s PRO 90 Cb 0.31 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.80 3hwn s PRO 90 CO -0.09 -1.32 1.21 -0.47 -0.33 0.00 0.00 177.00 176.00 3hwn s TYR 91 N -1.94 3.27 -0.00 6.54 5.04 -1.26 -4.75 117.35 124.24 3hwn s TYR 91 Ca 0.73 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.90 3hwn s TYR 91 Cb -0.26 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.56 3hwn s TYR 91 CO 0.38 -1.27 0.75 0.39 -1.34 0.00 0.00 175.55 174.45 3hwn n GLU 92 N 0.92 1.40 -3.39 4.97 1.02 -1.26 -5.01 120.64 119.28 3hwn n GLU 92 Ca -0.00 -1.00 -0.21 0.00 -0.02 0.00 0.00 57.16 55.93 3hwn n GLU 92 Cb 0.43 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 31.09 3hwn n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hwn n ALA 93 N -0.25 -1.07 -3.22 0.62 0.00 -1.26 -4.93 120.51 110.39 3hwn n ALA 93 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 3hwn n ALA 93 Cb 0.39 -1.96 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 3hwn n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hwn s THR 94 N -2.72 0.05 -0.32 0.00 -1.32 -1.26 -4.54 115.64 105.52 3hwn s THR 94 Ca 0.38 -0.39 -0.18 0.00 -1.21 0.00 0.00 61.69 60.29 3hwn s THR 94 Cb -0.22 -0.57 -0.01 0.00 -1.51 0.00 0.00 72.50 70.20 3hwn s THR 94 CO 0.47 -0.21 0.52 -0.70 -2.21 0.00 0.00 174.62 172.48 3hwn s GLU 95 N -1.01 3.76 0.42 7.08 2.12 -1.26 -4.90 118.70 124.90 3hwn s GLU 95 Ca -0.11 -0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.24 3hwn s GLU 95 Cb -0.05 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.55 3hwn s GLU 95 CO 0.03 -0.56 0.11 -1.21 -0.54 0.00 0.00 175.26 173.09 3hwn s GLU 96 N 2.38 1.95 0.64 4.30 2.02 -1.26 -5.07 118.70 123.65 3hwn s GLU 96 Ca 0.19 -2.19 -0.17 0.00 0.02 0.00 0.00 54.97 52.83 3hwn s GLU 96 Cb -0.15 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 3hwn s GLU 96 CO 0.12 -0.44 1.17 -1.54 0.02 0.00 0.00 175.26 174.59 3hwn s SER 97 N -3.64 5.00 0.11 -0.19 1.04 -1.26 -4.52 113.70 110.24 3hwn s SER 97 Ca 0.22 2.26 -0.31 0.00 0.48 0.00 0.00 55.95 58.60 3hwn s SER 97 Cb 0.03 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3hwn s SER 97 CO 0.13 -1.71 1.38 0.00 0.98 0.00 0.00 173.24 174.02 3hwn n LYS 99 N 3.96 0.63 -1.66 0.00 5.02 -1.26 -5.08 118.16 119.76 3hwn n LYS 99 Ca 0.11 -2.35 -0.47 0.00 -2.02 0.00 0.00 58.31 53.59 3hwn n LYS 99 Cb 0.42 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 3hwn n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hwn n TYR 100 N -0.26 2.22 -4.01 2.13 9.36 -1.26 -5.00 117.16 120.34 3hwn n TYR 100 Ca 0.10 0.28 -0.31 0.00 3.32 0.00 0.00 57.90 61.30 3hwn n TYR 100 Cb 0.90 -2.53 -0.16 0.00 -0.63 0.00 0.00 39.34 36.92 3hwn n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hwn s ASN 101 N 1.03 3.76 0.34 2.98 2.47 -1.26 -5.02 114.94 119.25 3hwn s ASN 101 Ca 0.80 -1.08 0.25 0.00 0.42 0.00 0.00 52.86 53.26 3hwn s ASN 101 Cb -0.70 -1.31 1.20 0.00 -1.45 0.00 0.00 41.25 38.99 3hwn s ASN 101 CO 0.39 -0.17 1.77 1.55 -3.72 0.00 0.00 177.10 176.92 3hwn h PRO 102 N 7.92 0.00 -0.18 0.43 0.13 -1.98 -2.49 132.00 135.83 3hwn h PRO 102 Ca -0.24 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 3hwn h PRO 102 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 3hwn h PRO 102 CO 0.46 0.00 -0.10 -0.22 -0.23 0.00 0.00 178.00 177.92 3hwn h LYS 103 N 0.00 -0.08 -0.91 0.86 3.64 -2.03 -1.79 116.57 116.27 3hwn h LYS 103 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hwn h LYS 103 Cb 0.22 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3hwn h LYS 103 CO 0.00 -0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.79 3hwn n TYR 104 N -5.25 0.47 -2.39 1.91 4.01 -0.94 -4.89 117.16 110.08 3hwn n TYR 104 Ca -0.02 -0.18 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 3hwn n TYR 104 Cb 0.17 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 3hwn n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hwn s SER 105 N -0.15 7.11 0.00 7.72 0.15 -0.67 -2.98 113.70 124.88 3hwn s SER 105 Ca 0.12 2.22 0.00 0.00 0.70 0.00 0.00 55.95 58.99 3hwn s SER 105 Cb 0.09 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3hwn s SER 105 CO 0.03 -0.35 0.27 1.33 1.20 0.00 0.00 173.24 175.73 3hwn n VAL 106 N 2.47 0.00 -3.97 4.45 0.24 -0.83 -4.96 118.33 115.73 3hwn n VAL 106 Ca 0.04 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 3hwn n VAL 106 Cb 0.45 1.22 -0.05 0.00 -1.47 0.00 0.00 33.84 33.99 3hwn n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hwn s ALA 107 N -0.16 -0.42 0.35 2.33 0.00 -1.21 -5.01 121.76 117.64 3hwn s ALA 107 Ca 0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 3hwn s ALA 107 Cb 0.00 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.20 3hwn s ALA 107 CO 0.00 -0.88 0.77 -1.71 0.00 0.00 0.00 175.76 173.94 3hwn n ASN 108 N -0.39 -2.10 -3.62 0.00 5.15 -1.26 -2.18 115.26 110.86 3hwn n ASN 108 Ca -0.02 -2.42 -0.16 0.00 -0.60 0.00 0.00 54.58 51.38 3hwn n ASN 108 Cb 0.61 3.49 -0.07 0.00 -0.53 0.00 0.00 39.78 43.29 3hwn n ASN 108 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3hwn s ASP 109 N -2.98 -0.45 -0.38 1.20 1.47 -1.26 -4.72 116.67 109.55 3hwn s ASP 109 Ca 0.16 0.39 0.04 0.00 1.18 0.00 0.00 52.55 54.32 3hwn s ASP 109 Cb -0.04 0.45 0.60 0.00 -0.34 0.00 0.00 42.92 43.58 3hwn s ASP 109 CO 0.10 -0.57 1.79 0.00 0.68 0.00 0.00 175.17 177.17 3hwn n ALA 110 N 0.94 5.10 0.00 2.11 0.00 0.55 -3.99 120.51 125.22 3hwn n ALA 110 Ca -0.20 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.77 3hwn n ALA 110 Cb 0.57 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3hwn n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwn n GLY 111 N -0.82 -0.12 3.45 0.00 0.00 -1.25 -4.86 105.19 101.59 3hwn n GLY 111 Ca 0.50 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 3hwn n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwn s PHE 112 N 0.00 0.26 -0.06 1.61 -0.12 -1.26 -1.03 117.98 117.38 3hwn s PHE 112 Ca 0.00 -0.62 0.03 0.00 -0.05 0.00 0.00 56.93 56.29 3hwn s PHE 112 Cb 0.00 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 3hwn s PHE 112 CO 0.00 -0.85 -0.15 0.08 -0.05 0.00 0.00 175.22 174.25 3hwn s VAL 113 N -3.96 1.32 -0.18 -2.49 1.01 -0.72 -4.83 120.40 110.55 3hwn s VAL 113 Ca 0.17 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3hwn s VAL 113 Cb 0.01 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3hwn s VAL 113 CO 0.02 0.39 0.32 -1.81 0.00 0.00 0.00 175.10 174.02 3hwn s ASP 114 N 0.38 6.42 -0.02 3.32 1.01 -1.26 -2.30 116.67 124.21 3hwn s ASP 114 Ca -0.11 0.48 -0.22 0.00 0.71 0.00 0.00 52.55 53.42 3hwn s ASP 114 Cb -0.14 -2.19 -0.05 0.00 1.01 0.00 0.00 42.92 41.55 3hwn s ASP 114 CO 0.04 0.04 0.65 -0.63 0.21 0.00 0.00 175.17 175.48 3hwn s ILE 115 N 0.76 4.94 0.49 0.77 1.01 0.97 -4.98 121.20 125.16 3hwn s ILE 115 Ca 0.17 1.36 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 3hwn s ILE 115 Cb -0.14 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.21 3hwn s ILE 115 CO 0.05 0.35 0.15 -2.65 0.00 0.00 0.00 174.94 172.84 3hwn n PRO 116 N 3.15 0.19 -1.07 2.79 -0.02 -1.26 -4.44 135.00 134.34 3hwn n PRO 116 Ca -0.04 0.07 -0.25 0.00 -2.02 0.00 0.00 63.50 61.26 3hwn n PRO 116 Cb 0.51 -1.23 -0.08 0.00 -0.02 0.00 0.00 33.50 32.68 3hwn n PRO 116 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hwn n LYS 117 N 0.99 2.71 -4.19 -0.52 4.81 -1.26 -4.67 118.16 116.03 3hwn n LYS 117 Ca 0.10 -1.56 -0.16 0.00 -0.87 0.00 0.00 58.31 55.81 3hwn n LYS 117 Cb 0.45 -2.40 -0.14 0.00 0.02 0.00 0.00 35.03 32.96 3hwn n LYS 117 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwn s GLN 118 N 1.92 0.49 0.37 1.64 1.11 -1.25 -4.91 119.66 119.02 3hwn s GLN 118 Ca 0.62 -0.26 0.14 0.00 0.01 0.00 0.00 55.36 55.87 3hwn s GLN 118 Cb 0.22 -0.45 0.72 0.00 -1.01 0.00 0.00 33.01 32.48 3hwn s GLN 118 CO -0.03 0.12 1.81 0.93 0.01 0.00 0.00 175.29 178.13 3hwn h GLU 119 N 5.87 0.00 -0.39 2.91 5.08 -1.87 -2.76 114.58 123.43 3hwn h GLU 119 Ca -0.29 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 3hwn h GLU 119 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3hwn h GLU 119 CO 0.49 0.38 0.06 -0.22 -1.00 0.00 0.00 179.01 178.72 3hwn h LYS 120 N 0.00 0.65 -0.66 2.33 1.63 -1.96 -2.17 116.57 116.39 3hwn h LYS 120 Ca -0.00 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.55 3hwn h LYS 120 Cb 0.70 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 3hwn h LYS 120 CO 0.05 0.71 0.12 0.00 -3.45 0.00 0.00 179.45 176.88 3hwn h ALA 121 N 0.92 0.96 -0.37 5.00 0.00 -1.86 -2.11 119.26 121.80 3hwn h ALA 121 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hwn h ALA 121 Cb 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3hwn h ALA 121 CO 0.01 0.66 0.16 1.25 0.00 0.00 0.00 179.25 181.32 3hwn h LEU 122 N 1.02 0.20 -0.22 0.00 5.85 -1.47 0.17 115.31 120.86 3hwn h LEU 122 Ca 0.21 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3hwn h LEU 122 Cb 0.41 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3hwn h LEU 122 CO 0.01 0.16 0.13 -0.03 -0.34 0.00 0.00 178.44 178.36 3hwn h MET 123 N 0.33 0.26 -0.14 1.25 4.05 -1.06 0.16 114.93 119.78 3hwn h MET 123 Ca 0.16 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3hwn h MET 123 Cb 0.10 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3hwn h MET 123 CO -0.14 0.17 -0.02 1.57 0.23 0.00 0.00 176.91 178.72 3hwn h LYS 124 N 0.27 0.27 -0.64 0.39 2.10 -1.27 -1.46 116.57 116.22 3hwn h LYS 124 Ca 0.09 -0.10 0.13 0.00 -2.00 0.00 0.00 60.65 58.77 3hwn h LYS 124 Cb -0.00 -0.02 -0.12 0.00 -0.90 0.00 0.00 32.23 31.19 3hwn h LYS 124 CO -0.04 0.53 -0.14 0.00 -2.00 0.00 0.00 179.45 177.80 3hwn h ALA 125 N 0.73 0.45 -1.00 0.07 0.00 -0.84 0.71 119.26 119.37 3hwn h ALA 125 Ca 0.04 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3hwn h ALA 125 Cb 0.43 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 3hwn h ALA 125 CO 0.01 -0.42 0.66 0.28 0.00 0.00 0.00 179.25 179.78 3hwn h VAL 126 N 0.01 1.20 0.00 0.00 2.07 -0.30 0.15 116.25 119.39 3hwn h VAL 126 Ca 0.31 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 3hwn h VAL 126 Cb 0.48 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3hwn h VAL 126 CO -0.65 0.24 -0.72 0.00 0.02 0.00 0.00 177.57 176.46 3hwn h ALA 127 N 1.39 0.70 0.00 1.67 0.00 -0.47 -3.10 119.26 119.45 3hwn h ALA 127 Ca 0.39 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hwn h ALA 127 Cb -0.05 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hwn h ALA 127 CO -0.11 0.47 -1.94 0.25 0.00 0.00 0.00 179.25 177.93 3hwn n THR 128 N -3.03 0.84 -0.04 0.00 -2.24 0.17 -4.77 114.28 105.20 3hwn n THR 128 Ca -0.01 -0.68 -0.09 0.00 -2.27 0.00 0.00 64.05 61.00 3hwn n THR 128 Cb 0.69 -0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 3hwn n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hwn n VAL 129 N -2.62 0.63 -0.10 2.28 0.31 0.51 -5.06 118.33 114.28 3hwn n VAL 129 Ca -0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3hwn n VAL 129 Cb 0.85 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3hwn n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hwn n GLY 130 N 2.46 0.94 3.58 2.92 0.00 -1.17 -4.95 105.19 108.97 3hwn n GLY 130 Ca -0.17 -1.89 -0.49 0.00 0.00 0.00 0.00 46.02 43.47 3hwn n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hwn n PRO 131 N 0.00 1.13 -4.69 1.61 -0.02 -1.26 -4.36 135.00 127.41 3hwn n PRO 131 Ca 0.00 0.41 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 3hwn n PRO 131 Cb 0.00 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.39 3hwn n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hwn s ILE 132 N -0.08 1.39 0.28 4.25 -1.09 -0.75 -4.65 121.20 120.54 3hwn s ILE 132 Ca 0.75 -0.62 -0.29 0.00 -2.23 0.00 0.00 60.65 58.26 3hwn s ILE 132 Cb -0.88 -1.25 -0.10 0.00 -1.58 0.00 0.00 42.46 38.66 3hwn s ILE 132 CO 0.51 0.41 1.12 -0.44 -1.23 0.00 0.00 174.94 175.32 3hwn s SER 133 N 0.67 7.21 0.01 3.58 0.01 -0.40 -1.47 113.70 123.32 3hwn s SER 133 Ca -0.14 2.31 -0.17 0.00 1.31 0.00 0.00 55.95 59.26 3hwn s SER 133 Cb -0.16 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.47 3hwn s SER 133 CO 0.04 -0.19 0.37 0.68 0.41 0.00 0.00 173.24 174.55 3hwn s VAL 134 N -1.09 0.06 -0.15 3.43 -7.23 -1.07 -0.85 120.40 113.50 3hwn s VAL 134 Ca 0.45 -0.48 -0.06 0.00 -1.81 0.00 0.00 61.98 60.08 3hwn s VAL 134 Cb -0.33 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3hwn s VAL 134 CO 0.42 -0.26 0.06 0.00 -0.31 0.00 0.00 175.10 175.00 3hwn s ALA 135 N -1.96 3.44 0.27 1.32 0.00 -1.25 -1.36 121.76 122.23 3hwn s ALA 135 Ca -0.09 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.20 3hwn s ALA 135 Cb -0.02 -1.82 -0.06 0.00 0.00 0.00 0.00 23.12 21.22 3hwn s ALA 135 CO 0.01 0.34 -0.07 0.96 0.00 0.00 0.00 175.76 177.00 3hwn s ILE 136 N -0.12 1.66 -0.45 0.00 -4.36 0.38 -4.10 121.20 114.21 3hwn s ILE 136 Ca 0.07 -2.13 -0.21 0.00 -0.26 0.00 0.00 60.65 58.11 3hwn s ILE 136 Cb -0.12 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.19 3hwn s ILE 136 CO 0.01 -0.32 0.67 -0.62 0.24 0.00 0.00 174.94 174.92 3hwn s ASP 137 N -3.44 6.33 -0.27 4.36 -1.08 -0.78 -0.38 116.67 121.43 3hwn s ASP 137 Ca 0.29 -0.33 0.09 0.00 -0.52 0.00 0.00 52.55 52.09 3hwn s ASP 137 Cb 0.03 -2.33 0.48 0.00 -1.46 0.00 0.00 42.92 39.64 3hwn s ASP 137 CO 0.12 -0.82 1.38 0.00 0.52 0.00 0.00 175.17 176.37 3hwn n ALA 138 N 6.36 4.13 -1.42 3.66 0.00 -1.26 -4.85 120.51 127.13 3hwn n ALA 138 Ca -0.01 -3.22 -0.25 0.00 0.00 0.00 0.00 53.44 49.96 3hwn n ALA 138 Cb 0.48 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 3hwn n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwn n GLY 139 N -1.12 4.25 3.35 0.00 0.00 -1.26 -4.75 105.19 105.65 3hwn n GLY 139 Ca 0.29 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 3hwn n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwn s HIS 140 N -1.55 -0.35 0.49 1.61 3.76 -1.26 -5.02 115.29 112.97 3hwn s HIS 140 Ca 0.58 0.46 0.23 0.00 -0.15 0.00 0.00 55.06 56.18 3hwn s HIS 140 Cb 0.37 0.24 1.29 0.00 1.11 0.00 0.00 32.58 35.59 3hwn s HIS 140 CO -0.19 -0.53 1.94 1.49 -0.85 0.00 0.00 174.74 176.60 3hwn h GLU 141 N 3.24 0.15 -0.24 1.40 4.81 -2.00 -2.03 114.58 119.90 3hwn h GLU 141 Ca -0.30 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.94 3hwn h GLU 141 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3hwn h GLU 141 CO 0.41 0.10 0.11 0.66 -0.73 0.00 0.00 179.01 179.57 3hwn h SER 142 N 0.15 0.17 -0.12 1.04 4.64 -1.95 -1.80 113.55 115.68 3hwn h SER 142 Ca 0.33 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 3hwn h SER 142 Cb 1.10 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hwn h SER 142 CO -0.05 0.13 -0.04 0.15 -0.87 0.00 0.00 176.83 176.15 3hwn h PHE 143 N 0.25 0.26 -0.96 4.77 3.04 -1.69 -2.02 116.94 120.59 3hwn h PHE 143 Ca 0.10 -0.06 0.17 0.00 3.98 0.00 0.00 57.97 62.17 3hwn h PHE 143 Cb 0.03 -0.06 -0.17 0.00 2.56 0.00 0.00 35.95 38.31 3hwn h PHE 143 CO -0.10 0.54 -0.30 -0.07 -2.02 0.00 0.00 178.31 176.36 3hwn h LEU 144 N -0.10 -1.11 -0.67 0.59 3.38 -1.45 -2.85 115.31 113.10 3hwn h LEU 144 Ca 0.03 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3hwn h LEU 144 Cb 0.47 0.66 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3hwn h LEU 144 CO 0.01 -0.31 -0.11 0.49 0.09 0.00 0.00 178.44 178.61 3hwn n PHE 145 N -5.55 0.00 -1.66 1.13 3.01 -0.69 -4.84 117.46 108.87 3hwn n PHE 145 Ca 0.13 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.09 3hwn n PHE 145 Cb 0.45 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.80 3hwn n PHE 145 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3hwn n TYR 146 N -0.31 2.22 -0.11 1.38 9.36 -0.84 -4.88 117.16 123.97 3hwn n TYR 146 Ca 0.16 0.07 -0.19 0.00 3.32 0.00 0.00 57.90 61.25 3hwn n TYR 146 Cb 0.33 -2.64 -0.07 0.00 -0.63 0.00 0.00 39.34 36.34 3hwn n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hwn n LYS 147 N 6.79 0.55 -3.83 2.98 4.01 -1.26 -2.81 118.16 124.60 3hwn n LYS 147 Ca 0.25 0.32 -0.06 0.00 -0.51 0.00 0.00 58.31 58.32 3hwn n LYS 147 Cb 0.28 -1.53 -0.01 0.00 -0.51 0.00 0.00 35.03 33.25 3hwn n LYS 147 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hwn s GLU 148 N -2.58 1.63 0.00 1.97 1.03 -1.26 -3.59 118.70 115.91 3hwn s GLU 148 Ca -0.32 -0.92 0.00 0.00 0.03 0.00 0.00 54.97 53.76 3hwn s GLU 148 Cb 0.09 0.54 0.00 0.00 -0.80 0.00 0.00 34.13 33.96 3hwn s GLU 148 CO 0.45 -0.75 0.00 0.41 -1.33 0.00 0.00 175.26 174.04 3hwn n GLY 149 N -0.48 0.20 3.07 -3.83 0.00 -1.26 -4.88 105.19 98.01 3hwn n GLY 149 Ca -0.05 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3hwn n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwn s ILE 150 N 0.00 1.90 -0.24 -0.61 1.01 -1.26 -4.34 121.20 117.65 3hwn s ILE 150 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3hwn s ILE 150 Cb 0.00 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 3hwn s ILE 150 CO 0.00 0.41 1.92 -0.47 0.00 0.00 0.00 174.94 176.80 3hwn s TYR 151 N 1.33 1.60 -0.15 3.97 5.04 -0.21 -4.77 117.35 124.16 3hwn s TYR 151 Ca 0.03 0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 3hwn s TYR 151 Cb -0.14 -4.05 0.04 0.00 0.35 0.00 0.00 41.96 38.16 3hwn s TYR 151 CO -0.11 -3.54 -0.04 0.12 -1.34 0.00 0.00 175.55 170.64 3hwn s PHE 152 N 6.86 1.47 -0.23 4.97 2.19 -1.26 -1.07 117.98 130.92 3hwn s PHE 152 Ca 0.86 -0.91 -0.03 0.00 0.33 0.00 0.00 56.93 57.18 3hwn s PHE 152 Cb -0.28 -1.21 0.00 0.00 -1.31 0.00 0.00 43.02 40.22 3hwn s PHE 152 CO 0.34 -0.57 -0.05 -2.00 1.83 0.00 0.00 175.22 174.77 3hwn s GLU 153 N 1.71 3.25 0.48 10.12 2.56 -1.26 -5.03 118.70 130.52 3hwn s GLU 153 Ca 0.01 -0.71 0.30 0.00 0.00 0.00 0.00 54.97 54.58 3hwn s GLU 153 Cb -0.15 -3.00 1.39 0.00 2.00 0.00 0.00 34.13 34.38 3hwn s GLU 153 CO -0.07 -0.25 1.75 -1.35 -0.56 0.00 0.00 175.26 174.78 3hwn h PRO 154 N 8.09 0.14 -0.65 4.30 0.11 -2.04 -2.43 132.00 139.52 3hwn h PRO 154 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hwn h PRO 154 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hwn h PRO 154 CO 0.60 0.09 0.00 -3.47 -0.21 0.00 0.00 178.00 175.02 3hwn n ASP 155 N -4.40 4.19 -4.26 -2.05 2.03 -1.26 -4.99 116.55 105.81 3hwn n ASP 155 Ca 0.29 -2.30 -0.29 0.00 0.52 0.00 0.00 54.79 53.01 3hwn n ASP 155 Cb 1.21 -0.53 0.23 0.00 -0.72 0.00 0.00 41.12 41.31 3hwn n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwn s SER 157 N -3.27 1.32 0.00 0.00 0.15 -1.26 -4.88 113.70 105.76 3hwn s SER 157 Ca 0.68 -1.17 0.04 0.00 0.70 0.00 0.00 55.95 56.20 3hwn s SER 157 Cb -0.18 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3hwn s SER 157 CO 0.59 -0.55 0.44 -0.24 1.20 0.00 0.00 173.24 174.68 3hwn n SER 158 N -0.26 0.87 0.00 5.45 2.88 -1.26 -2.01 113.62 119.29 3hwn n SER 158 Ca -0.07 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 3hwn n SER 158 Cb 0.63 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 3hwn n SER 158 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hwn n GLU 159 N -0.30 1.34 -3.15 -1.46 -0.58 -1.26 -4.63 120.64 110.60 3hwn n GLU 159 Ca 0.02 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.31 3hwn n GLU 159 Cb 0.09 -0.82 -0.01 0.00 -0.57 0.00 0.00 31.44 30.13 3hwn n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hwn s ASP 160 N -2.93 7.09 -0.24 1.62 1.11 -1.26 -5.01 116.67 117.05 3hwn s ASP 160 Ca 0.00 -3.10 -0.18 0.00 0.18 0.00 0.00 52.55 49.45 3hwn s ASP 160 Cb 0.00 -2.30 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 3hwn s ASP 160 CO 0.00 -0.57 0.52 -0.04 1.18 0.00 0.00 175.17 176.26 3hwn s MET 161 N 0.35 4.12 -0.01 8.23 -1.94 -1.26 -4.55 119.30 124.24 3hwn s MET 161 Ca 0.34 0.36 0.10 0.00 -1.71 0.00 0.00 55.69 54.78 3hwn s MET 161 Cb -0.07 -3.62 -0.13 0.00 2.01 0.00 0.00 34.83 33.03 3hwn s MET 161 CO -0.05 -0.27 0.36 -0.40 -0.01 0.00 0.00 175.02 174.64 3hwn n ASP 162 N 5.25 1.23 -3.86 3.03 5.68 0.49 -4.81 116.55 123.56 3hwn n ASP 162 Ca -0.04 -0.48 -0.26 0.00 -0.50 0.00 0.00 54.79 53.51 3hwn n ASP 162 Cb 0.50 1.17 -0.17 0.00 -1.14 0.00 0.00 41.12 41.48 3hwn n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3hwn s HIS 163 N -2.23 1.31 0.04 2.11 5.04 0.37 -4.96 115.29 116.97 3hwn s HIS 163 Ca 0.01 -0.68 -0.30 0.00 -1.54 0.00 0.00 55.06 52.55 3hwn s HIS 163 Cb 0.07 -1.14 -0.06 0.00 0.04 0.00 0.00 32.58 31.50 3hwn s HIS 163 CO 0.42 -0.50 1.26 0.20 -2.34 0.00 0.00 174.74 173.78 3hwn s GLY 164 N 1.76 2.22 0.14 1.59 0.00 -1.26 -0.47 107.32 111.30 3hwn s GLY 164 Ca 0.04 0.86 0.03 0.00 0.00 0.00 0.00 44.72 45.65 3hwn s GLY 164 CO -0.07 2.18 0.12 3.33 0.00 0.00 0.00 173.10 178.65 3hwn n VAL 165 N 4.14 0.00 -4.10 1.40 0.24 -0.46 -4.56 118.33 114.99 3hwn n VAL 165 Ca 0.10 -0.99 -0.21 0.00 -2.04 0.00 0.00 64.34 61.21 3hwn n VAL 165 Cb 0.45 0.50 -0.17 0.00 -1.47 0.00 0.00 33.84 33.15 3hwn n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hwn s LEU 166 N 0.00 1.22 -0.25 1.34 2.96 -0.80 -2.59 118.68 120.57 3hwn s LEU 166 Ca 0.16 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 3hwn s LEU 166 Cb 0.01 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.21 3hwn s LEU 166 CO 0.11 -0.07 0.53 -0.69 -1.32 0.00 0.00 176.35 174.91 3hwn s VAL 167 N 1.08 5.07 -0.27 1.68 1.01 -0.54 0.20 120.40 128.62 3hwn s VAL 167 Ca -0.08 0.93 0.10 0.00 0.00 0.00 0.00 61.98 62.93 3hwn s VAL 167 Cb -0.14 -3.84 0.24 0.00 0.00 0.00 0.00 36.38 32.64 3hwn s VAL 167 CO -0.01 0.10 1.17 1.33 0.00 0.00 0.00 175.10 177.69 3hwn n VAL 168 N 5.04 1.47 -0.64 2.92 0.24 0.66 -1.81 118.33 126.21 3hwn n VAL 168 Ca -0.04 -1.50 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 3hwn n VAL 168 Cb 0.50 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3hwn n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hwn n GLY 169 N -0.52 0.65 3.57 7.63 0.00 -1.23 -1.08 105.19 114.21 3hwn n GLY 169 Ca 0.11 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3hwn n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hwn s TYR 170 N -2.34 -0.19 0.00 1.61 -0.85 -0.40 0.69 117.35 115.86 3hwn s TYR 170 Ca 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.68 3hwn s TYR 170 Cb 0.00 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.86 3hwn s TYR 170 CO 0.00 -0.29 0.00 0.41 -1.52 0.00 0.00 175.55 174.15 3hwn n GLY 171 N -0.08 1.08 3.22 5.49 0.00 -0.79 -1.70 105.19 112.41 3hwn n GLY 171 Ca -0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3hwn n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hwn s PHE 172 N -1.53 0.60 -0.11 1.61 -0.71 -1.26 0.53 117.98 117.10 3hwn s PHE 172 Ca 0.00 -0.99 0.04 0.00 -1.04 0.00 0.00 56.93 54.94 3hwn s PHE 172 Cb 0.00 -0.27 -0.06 0.00 -1.21 0.00 0.00 43.02 41.48 3hwn s PHE 172 CO 0.00 -0.59 0.14 0.39 -1.34 0.00 0.00 175.22 173.82 3hwn n GLU 173 N -0.12 3.12 0.00 1.99 1.02 -1.26 -4.99 120.64 120.40 3hwn n GLU 173 Ca -0.07 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3hwn n GLU 173 Cb 0.63 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 3hwn n GLU 173 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hwn n ASN 179 N -1.35 0.00 -3.43 1.62 5.15 -1.26 -4.99 115.26 111.00 3hwn n ASN 179 Ca 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.58 3hwn n ASN 179 Cb 0.09 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.36 3hwn n ASN 179 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3hwn n ASN 180 N 0.62 7.45 -4.94 1.20 5.15 -1.26 -4.99 115.26 118.49 3hwn n ASN 180 Ca 0.00 -3.64 -0.25 0.00 -0.60 0.00 0.00 54.58 50.09 3hwn n ASN 180 Cb 0.00 -1.17 -0.02 0.00 -0.53 0.00 0.00 39.78 38.06 3hwn n ASN 180 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hwn s LYS 181 N -3.83 3.50 0.23 1.20 1.02 -1.26 -4.46 119.74 116.13 3hwn s LYS 181 Ca 0.44 -0.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.91 3hwn s LYS 181 Cb 0.25 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 3hwn s LYS 181 CO -0.19 0.28 0.47 1.52 -0.92 0.00 0.00 175.35 176.51 3hwn s TYR 182 N -2.10 0.27 -0.11 3.18 -0.85 0.19 -2.66 117.35 115.26 3hwn s TYR 182 Ca 0.39 -0.63 -0.03 0.00 -0.52 0.00 0.00 57.07 56.27 3hwn s TYR 182 Cb -0.10 0.20 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 3hwn s TYR 182 CO 0.32 -0.95 0.02 -1.58 -1.52 0.00 0.00 175.55 171.84 3hwn s TRP 183 N -3.98 3.21 -0.50 -3.49 0.52 -0.74 -1.89 118.94 112.06 3hwn s TRP 183 Ca 0.19 0.17 -0.23 0.00 0.02 0.00 0.00 56.10 56.25 3hwn s TRP 183 Cb -0.00 -1.86 0.04 0.00 -1.15 0.00 0.00 33.47 30.49 3hwn s TRP 183 CO 0.06 0.41 0.84 -1.17 0.02 0.00 0.00 176.95 177.11 3hwn s LEU 184 N -0.62 4.27 -0.03 2.99 2.96 0.22 -1.52 118.68 126.95 3hwn s LEU 184 Ca 0.10 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3hwn s LEU 184 Cb -0.12 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 3hwn s LEU 184 CO 0.02 -1.06 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.27 3hwn s VAL 185 N 3.52 3.98 -0.19 1.68 1.01 -0.66 -0.25 120.40 129.49 3hwn s VAL 185 Ca 0.28 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3hwn s VAL 185 Cb -0.13 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 3hwn s VAL 185 CO 0.20 0.47 0.07 -0.75 0.00 0.00 0.00 175.10 175.09 3hwn s LYS 186 N -1.23 3.99 0.41 2.72 2.20 0.52 -1.98 119.74 126.37 3hwn s LYS 186 Ca 0.16 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 3hwn s LYS 186 Cb -0.11 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3hwn s LYS 186 CO 0.06 0.26 0.22 1.21 -0.36 0.00 0.00 175.35 176.74 3hwn s ASN 187 N 0.42 4.55 -0.42 1.43 2.47 -1.08 -1.90 114.94 120.41 3hwn s ASN 187 Ca 0.04 -1.01 0.05 0.00 0.42 0.00 0.00 52.86 52.36 3hwn s ASN 187 Cb -0.12 -0.50 0.42 0.00 -1.45 0.00 0.00 41.25 39.60 3hwn s ASN 187 CO 0.00 -0.56 1.12 -1.54 -3.72 0.00 0.00 177.10 172.40 3hwn n SER 188 N -1.30 4.69 -1.91 -4.21 3.41 -1.26 -4.45 113.62 108.58 3hwn n SER 188 Ca -0.00 -3.71 -0.18 0.00 -0.26 0.00 0.00 58.87 54.72 3hwn n SER 188 Cb 0.64 -0.45 0.04 0.00 -0.26 0.00 0.00 64.21 64.18 3hwn n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hwn n TRP 189 N -0.50 2.28 -1.49 7.33 8.01 -1.06 -0.73 117.44 131.28 3hwn n TRP 189 Ca 0.39 -2.11 0.05 0.00 -1.31 0.00 0.00 57.50 54.52 3hwn n TRP 189 Cb 0.69 -0.32 -0.03 0.00 -2.01 0.00 0.00 31.31 29.64 3hwn n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hwn n GLY 190 N -0.73 -3.84 0.02 6.99 0.00 -0.36 -4.08 105.19 103.17 3hwn n GLY 190 Ca 0.38 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.54 3hwn n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hwn n GLU 191 N -3.11 0.02 0.20 1.61 0.28 -1.26 -2.21 120.64 116.17 3hwn n GLU 191 Ca -0.03 0.32 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 3hwn n GLU 191 Cb 0.53 -1.55 0.46 0.00 1.43 0.00 0.00 31.44 32.32 3hwn n GLU 191 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3hwn h GLU 192 N 0.00 0.00 -6.58 3.44 5.08 -1.90 -2.99 114.58 111.63 3hwn h GLU 192 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 3hwn h GLU 192 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3hwn h GLU 192 CO 0.00 0.00 0.14 -0.46 -1.00 0.00 0.00 179.01 177.69 3hwn s TRP 193 N -3.37 3.69 0.00 4.33 -0.00 -0.94 -4.95 118.94 117.70 3hwn s TRP 193 Ca 0.05 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 3hwn s TRP 193 Cb 0.09 -2.67 0.00 0.00 -0.00 0.00 0.00 33.47 30.89 3hwn s TRP 193 CO 0.55 0.36 0.00 0.41 -0.00 0.00 0.00 176.95 178.27 3hwn n GLY 194 N 0.86 1.55 3.22 5.86 0.00 -1.12 -1.17 105.19 114.39 3hwn n GLY 194 Ca -0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3hwn n GLY 194 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hwn s MET 195 N 0.00 2.67 -1.97 1.61 -2.45 -0.54 -4.37 119.30 114.24 3hwn s MET 195 Ca 0.00 -1.92 0.00 0.00 -1.25 0.00 0.00 55.69 52.52 3hwn s MET 195 Cb 0.00 -4.00 0.00 0.00 1.25 0.00 0.00 34.83 32.08 3hwn s MET 195 CO 0.00 -1.22 0.00 0.41 1.05 0.00 0.00 175.02 175.26 3hwn n GLY 196 N 4.68 1.67 1.39 2.11 0.00 -1.25 -0.16 105.19 113.64 3hwn n GLY 196 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hwn n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwn n GLY 197 N -0.38 0.74 4.02 -0.02 0.00 -0.32 -4.59 105.19 104.64 3hwn n GLY 197 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3hwn n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwn s TYR 198 N -2.90 2.08 -0.24 1.61 1.51 0.78 -2.62 117.35 117.57 3hwn s TYR 198 Ca 0.00 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.38 3hwn s TYR 198 Cb 0.00 -2.33 0.07 0.00 -0.11 0.00 0.00 41.96 39.59 3hwn s TYR 198 CO 0.00 -0.84 0.59 0.54 -1.11 0.00 0.00 175.55 174.73 3hwn s VAL 199 N -2.55 -0.01 -0.06 0.71 0.11 -0.84 -1.47 120.40 116.29 3hwn s VAL 199 Ca 0.59 0.03 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 3hwn s VAL 199 Cb -0.08 -0.86 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3hwn s VAL 199 CO 0.37 0.01 0.48 -0.54 -3.33 0.00 0.00 175.10 172.09 3hwn s LYS 200 N 1.43 4.23 -0.17 1.54 1.02 -1.26 -1.66 119.74 124.88 3hwn s LYS 200 Ca -0.09 0.50 0.01 0.00 0.02 0.00 0.00 55.97 56.41 3hwn s LYS 200 Cb -0.06 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3hwn s LYS 200 CO -0.16 0.35 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.84 3hwn s MET 201 N -0.02 2.40 -0.21 1.68 -1.94 -0.58 -1.04 119.30 119.59 3hwn s MET 201 Ca 0.26 -0.69 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 3hwn s MET 201 Cb -0.16 -2.29 -0.08 0.00 2.01 0.00 0.00 34.83 34.31 3hwn s MET 201 CO 0.13 -0.27 0.85 0.00 -0.01 0.00 0.00 175.02 175.71 3hwn n ALA 202 N 4.71 -0.08 -2.68 3.03 0.00 -0.23 -1.78 120.51 123.47 3hwn n ALA 202 Ca -0.17 0.11 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 3hwn n ALA 202 Cb 0.49 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 3hwn n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hwn s LYS 203 N 2.21 2.90 -1.10 0.00 2.20 -1.09 -4.51 119.74 120.36 3hwn s LYS 203 Ca 0.49 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.53 3hwn s LYS 203 Cb -0.64 -2.74 0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3hwn s LYS 203 CO 0.30 0.67 0.96 -0.25 -0.36 0.00 0.00 175.35 176.67 3hwn n ASP 204 N 1.79 -5.44 -2.62 1.43 8.00 -1.26 -4.60 116.55 113.84 3hwn n ASP 204 Ca -0.17 -0.44 -0.17 0.00 0.71 0.00 0.00 54.79 54.72 3hwn n ASP 204 Cb 0.53 -4.19 0.01 0.00 -0.02 0.00 0.00 41.12 37.45 3hwn n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hwn n ARG 205 N -4.15 2.11 -2.82 -1.24 1.74 -1.26 -4.94 116.66 106.10 3hwn n ARG 205 Ca -0.00 -3.81 -0.08 0.00 -0.77 0.00 0.00 57.85 53.19 3hwn n ARG 205 Cb 0.55 -1.69 0.03 0.00 -1.02 0.00 0.00 32.46 30.33 3hwn n ARG 205 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hwn n ARG 206 N -0.22 -2.61 -3.48 5.56 0.63 -1.26 -3.77 116.66 111.52 3hwn n ARG 206 Ca 0.22 0.28 -0.23 0.00 -0.92 0.00 0.00 57.85 57.20 3hwn n ARG 206 Cb 0.73 -3.63 0.06 0.00 0.45 0.00 0.00 32.46 30.07 3hwn n ARG 206 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3hwn n ASN 207 N -0.24 -5.72 -4.71 6.15 5.15 -1.26 -4.87 115.26 109.76 3hwn n ASN 207 Ca -0.01 -0.86 -0.43 0.00 -0.60 0.00 0.00 54.58 52.68 3hwn n ASN 207 Cb 0.52 -4.29 -0.01 0.00 -0.53 0.00 0.00 39.78 35.47 3hwn n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3hwn n HIS 208 N -3.74 2.45 -1.13 1.20 -0.00 -1.25 -1.48 115.22 111.27 3hwn n HIS 208 Ca -0.09 0.44 -0.09 0.00 -0.00 0.00 0.00 57.72 57.98 3hwn n HIS 208 Cb 0.61 -2.48 -0.04 0.00 -0.00 0.00 0.00 29.99 28.08 3hwn n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hwn n GLY 210 N 0.04 -0.44 0.26 0.00 0.00 -0.55 -1.86 105.19 102.63 3hwn n GLY 210 Ca -0.09 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3hwn n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hwn h ILE 211 N -1.14 0.61 -0.33 -0.61 2.10 -1.66 -1.39 117.51 115.08 3hwn h ILE 211 Ca -0.50 -0.56 -0.07 0.00 1.08 0.00 0.00 64.86 64.82 3hwn h ILE 211 Cb 1.35 1.36 -0.04 0.00 -1.09 0.00 0.00 36.82 38.39 3hwn h ILE 211 CO 0.54 0.12 0.01 0.00 -1.08 0.00 0.00 178.15 177.75 3hwn n ALA 212 N -2.30 3.46 0.14 0.18 0.00 -1.26 -4.52 120.51 116.20 3hwn n ALA 212 Ca -0.02 -2.51 -0.24 0.00 0.00 0.00 0.00 53.44 50.67 3hwn n ALA 212 Cb 0.24 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 18.76 3hwn n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hwn h SER 213 N 1.68 0.79 -1.87 0.00 0.02 -1.53 -3.32 113.55 109.32 3hwn h SER 213 Ca 0.08 -0.87 -0.51 0.00 -0.84 0.00 0.00 61.79 59.65 3hwn h SER 213 Cb 1.59 -0.26 -0.41 0.00 0.14 0.00 0.00 62.40 63.46 3hwn h SER 213 CO 0.32 1.69 -0.95 0.00 -1.14 0.00 0.00 176.83 176.74 3hwn n ALA 214 N -2.71 3.56 -2.25 3.77 0.00 -1.26 -4.85 120.51 116.77 3hwn n ALA 214 Ca -0.17 -3.92 -0.38 0.00 0.00 0.00 0.00 53.44 48.97 3hwn n ALA 214 Cb 1.10 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 3hwn n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwn s ALA 215 N -3.05 3.56 0.26 0.00 0.00 -1.26 -3.78 121.76 117.49 3hwn s ALA 215 Ca 0.42 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.24 3hwn s ALA 215 Cb 0.35 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.83 3hwn s ALA 215 CO -0.10 0.39 0.64 -1.54 0.00 0.00 0.00 175.76 175.16 3hwn s SER 216 N -1.23 -0.25 0.03 0.00 1.04 -0.03 -0.02 113.70 113.25 3hwn s SER 216 Ca 0.32 -0.61 -0.20 0.00 0.48 0.00 0.00 55.95 55.93 3hwn s SER 216 Cb -0.19 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.65 3hwn s SER 216 CO 0.20 -1.25 0.46 -0.72 0.98 0.00 0.00 173.24 172.91 3hwn s TYR 217 N -3.92 -0.34 0.44 5.02 1.13 -0.97 -1.27 117.35 117.43 3hwn s TYR 217 Ca 0.12 0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 55.94 3hwn s TYR 217 Cb -0.04 0.26 -0.09 0.00 -1.10 0.00 0.00 41.96 40.99 3hwn s TYR 217 CO 0.05 -0.58 1.02 -1.25 -2.51 0.00 0.00 175.55 172.27 3hwn s PRO 218 N -2.27 4.06 -0.85 -3.49 0.04 -1.26 -1.76 135.00 129.48 3hwn s PRO 218 Ca -0.06 1.35 -0.19 0.00 0.04 0.00 0.00 61.00 62.13 3hwn s PRO 218 Cb -0.01 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.35 3hwn s PRO 218 CO -0.01 -0.20 1.05 0.99 0.04 0.00 0.00 177.00 178.87 3hwn s THR 219 N -1.90 4.67 -2.57 1.26 2.01 -0.20 -4.88 115.64 114.03 3hwn s THR 219 Ca 0.62 -1.30 0.27 0.00 0.31 0.00 0.00 61.69 61.59 3hwn s THR 219 Cb -0.17 -4.73 0.50 0.00 0.01 0.00 0.00 72.50 68.11 3hwn s THR 219 CO 0.21 -1.46 1.68 0.52 -0.69 0.00 0.00 174.62 174.88