#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hha s PRO 2 N 0.00 0.24 0.40 0.00 0.02 -1.26 -4.94 135.00 129.46 3hha s PRO 2 Ca 0.00 1.14 0.19 0.00 0.02 0.00 0.00 61.00 62.35 3hha s PRO 2 Cb 0.00 -1.67 0.83 0.00 0.02 0.00 0.00 34.50 33.68 3hha s PRO 2 CO 0.00 -3.03 1.81 0.00 -0.33 0.00 0.00 177.00 175.45 3hha h ARG 3 N -2.14 0.00 -3.34 5.54 3.08 -2.03 -3.45 114.38 112.05 3hha h ARG 3 Ca -0.52 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.46 3hha h ARG 3 Cb 1.30 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.20 3hha h ARG 3 CO 0.47 0.33 -0.13 -1.54 -1.07 0.00 0.00 179.97 178.03 3hha s SER 4 N -6.47 -0.19 -0.04 7.04 1.04 -1.26 -4.46 113.70 109.35 3hha s SER 4 Ca -0.01 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 3hha s SER 4 Cb 0.12 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.68 3hha s SER 4 CO 0.67 -0.76 0.14 -0.69 0.98 0.00 0.00 173.24 173.58 3hha s VAL 5 N -3.34 0.02 -0.31 5.02 1.01 -0.32 -4.95 120.40 117.53 3hha s VAL 5 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3hha s VAL 5 Cb 0.01 -0.25 0.14 0.00 0.00 0.00 0.00 36.38 36.28 3hha s VAL 5 CO -0.08 -0.08 0.31 -0.62 0.00 0.00 0.00 175.10 174.63 3hha s ASP 6 N -0.20 1.66 0.40 3.32 -1.08 -1.26 -1.33 116.67 118.18 3hha s ASP 6 Ca -0.03 -1.05 0.29 0.00 -0.52 0.00 0.00 52.55 51.23 3hha s ASP 6 Cb -0.02 0.46 1.35 0.00 -1.46 0.00 0.00 42.92 43.25 3hha s ASP 6 CO 0.00 -0.35 1.86 -0.50 0.52 0.00 0.00 175.17 176.70 3hha h TRP 7 N 7.90 0.00 -0.47 -5.34 4.06 -1.58 -2.42 115.95 118.10 3hha h TRP 7 Ca -0.08 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 3hha h TRP 7 Cb 1.06 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.20 3hha h TRP 7 CO 0.30 0.00 0.21 0.00 -3.56 0.00 0.00 178.44 175.39 3hha h ARG 8 N 0.00 0.67 0.00 0.49 3.08 -1.94 -2.14 114.38 114.54 3hha h ARG 8 Ca 0.00 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3hha h ARG 8 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3hha h ARG 8 CO 0.00 0.54 -0.17 0.93 -1.07 0.00 0.00 179.97 180.20 3hha h GLU 9 N 0.67 0.00 -0.12 0.04 4.39 -1.84 -2.92 114.58 114.80 3hha h GLU 9 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3hha h GLU 9 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3hha h GLU 9 CO -0.02 0.17 0.00 1.63 -1.16 0.00 0.00 179.01 179.63 3hha n LYS 10 N -3.88 2.14 -0.39 2.33 4.76 -0.82 -4.96 118.16 117.33 3hha n LYS 10 Ca -0.02 -1.68 0.00 0.00 -2.87 0.00 0.00 58.31 53.74 3hha n LYS 10 Cb 0.26 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3hha n LYS 10 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hha n GLY 11 N 1.32 0.80 0.05 0.72 0.00 -1.10 -4.98 105.19 102.00 3hha n GLY 11 Ca 0.17 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3hha n GLY 11 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hha n TYR 12 N -2.39 0.00 -4.38 1.61 4.02 -1.11 -4.70 117.16 110.21 3hha n TYR 12 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 3hha n TYR 12 Cb 0.00 -0.27 -0.17 0.00 -0.02 0.00 0.00 39.34 38.89 3hha n TYR 12 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hha s VAL 13 N -2.87 1.03 0.80 -0.72 1.01 -1.26 -3.55 120.40 114.83 3hha s VAL 13 Ca 0.15 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3hha s VAL 13 Cb 0.18 -0.97 0.07 0.00 0.00 0.00 0.00 36.38 35.66 3hha s VAL 13 CO 0.62 0.34 1.12 0.42 0.00 0.00 0.00 175.10 177.60 3hha s THR 14 N 0.93 2.77 1.00 3.92 -4.23 -1.26 -4.97 115.64 113.80 3hha s THR 14 Ca -0.10 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.55 3hha s THR 14 Cb -0.15 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 70.74 3hha s THR 14 CO 0.01 -0.33 0.97 -2.65 -0.54 0.00 0.00 174.62 172.08 3hha n PRO 15 N -3.36 -0.99 -1.98 3.99 -0.02 -1.26 -4.94 135.00 126.45 3hha n PRO 15 Ca 0.07 -0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 3hha n PRO 15 Cb 0.58 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.81 3hha n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hha s VAL 16 N -2.53 2.55 0.50 -1.45 1.01 -1.26 -5.03 120.40 114.18 3hha s VAL 16 Ca 0.66 0.48 0.06 0.00 0.00 0.00 0.00 61.98 63.17 3hha s VAL 16 Cb -0.23 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.86 3hha s VAL 16 CO 0.61 0.08 0.36 -0.54 0.00 0.00 0.00 175.10 175.61 3hha s LYS 17 N -0.61 2.30 -0.12 2.72 1.02 -1.26 -4.75 119.74 119.04 3hha s LYS 17 Ca 0.59 -1.90 -0.02 0.00 0.02 0.00 0.00 55.97 54.65 3hha s LYS 17 Cb -0.43 -2.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3hha s LYS 17 CO 0.46 -0.45 0.01 1.21 -0.92 0.00 0.00 175.35 175.66 3hha s ASN 18 N -4.19 2.14 0.03 2.83 3.84 -1.26 -1.47 114.94 116.86 3hha s ASN 18 Ca 0.37 -0.39 0.22 0.00 0.21 0.00 0.00 52.86 53.28 3hha s ASN 18 Cb -0.01 -0.52 0.91 0.00 -0.55 0.00 0.00 41.25 41.07 3hha s ASN 18 CO 0.22 -0.23 1.69 0.00 -2.79 0.00 0.00 177.10 175.99 3hha n GLN 19 N 5.10 0.03 0.00 0.43 10.64 0.22 -4.93 117.38 128.87 3hha n GLN 19 Ca -0.08 0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 3hha n GLN 19 Cb 0.49 -1.54 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 3hha n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hha n GLY 20 N 0.68 0.51 0.99 2.61 0.00 -1.26 -3.37 105.19 105.35 3hha n GLY 20 Ca 0.05 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3hha n GLY 20 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hha n GLN 21 N 0.81 2.43 -3.29 1.61 1.13 -1.26 -4.89 117.38 113.92 3hha n GLN 21 Ca 0.00 -1.75 -0.39 0.00 -1.94 0.00 0.00 57.00 52.93 3hha n GLN 21 Cb 0.00 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 28.77 3hha n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hha n GLY 23 N 1.81 3.09 1.12 0.00 0.00 -0.44 -4.48 105.19 106.29 3hha n GLY 23 Ca -0.10 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.88 3hha n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hha n SER 24 N 2.96 4.27 -0.34 1.61 3.41 -1.26 -3.19 113.62 121.09 3hha n SER 24 Ca 0.47 -2.94 0.14 0.00 -0.26 0.00 0.00 58.87 56.28 3hha n SER 24 Cb 0.60 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 64.32 3hha n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hha h TRP 26 N 0.60 0.90 -0.29 0.00 5.08 -1.83 0.19 115.95 120.61 3hha h TRP 26 Ca 0.59 0.03 -0.17 0.00 1.08 0.00 0.00 58.89 60.42 3hha h TRP 26 Cb 1.05 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 26.92 3hha h TRP 26 CO -0.04 0.33 -0.48 0.00 -1.28 0.00 0.00 178.44 176.98 3hha h ALA 27 N 1.59 0.60 -0.51 0.11 0.00 -1.13 -1.55 119.26 118.37 3hha h ALA 27 Ca 0.46 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hha h ALA 27 Cb 0.67 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hha h ALA 27 CO -0.22 0.68 -0.16 0.74 0.00 0.00 0.00 179.25 180.28 3hha h PHE 28 N 0.62 1.15 -0.63 0.00 -1.00 -1.17 0.19 116.94 116.10 3hha h PHE 28 Ca 0.03 -0.26 -0.02 0.00 2.81 0.00 0.00 57.97 60.53 3hha h PHE 28 Cb 1.06 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 40.31 3hha h PHE 28 CO 0.06 1.09 0.31 1.03 -1.61 0.00 0.00 178.31 179.18 3hha h SER 29 N 0.88 0.82 -0.22 2.17 0.87 -0.96 -1.17 113.55 115.94 3hha h SER 29 Ca 0.12 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 3hha h SER 29 Cb 0.74 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hha h SER 29 CO 0.06 0.72 -0.12 0.00 -0.53 0.00 0.00 176.83 176.96 3hha h ALA 30 N 1.13 0.32 -0.71 6.23 0.00 -1.11 -1.77 119.26 123.35 3hha h ALA 30 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hha h ALA 30 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hha h ALA 30 CO -0.03 0.17 0.33 1.79 0.00 0.00 0.00 179.25 181.51 3hha h THR 31 N 0.18 1.23 -0.63 0.00 1.35 -0.90 -1.01 112.91 113.12 3hha h THR 31 Ca 0.05 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3hha h THR 31 Cb 0.62 0.34 -0.03 0.00 -1.73 0.00 0.00 68.15 67.35 3hha h THR 31 CO 0.03 0.28 0.40 1.23 -0.25 0.00 0.00 175.52 177.21 3hha h GLY 32 N 1.07 0.91 1.06 5.82 0.00 -0.98 0.26 103.07 111.20 3hha h GLY 32 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3hha h GLY 32 CO -0.03 0.35 -0.13 0.00 0.00 0.00 0.00 176.54 176.73 3hha h ALA 33 N 1.21 0.66 -0.52 3.60 0.00 -1.02 -2.25 119.26 120.94 3hha h ALA 33 Ca 0.23 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3hha h ALA 33 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hha h ALA 33 CO -0.05 0.58 0.10 -0.07 0.00 0.00 0.00 179.25 179.82 3hha h LEU 34 N 0.79 0.81 -0.65 0.00 3.38 -0.99 -1.71 115.31 116.94 3hha h LEU 34 Ca 0.12 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.93 3hha h LEU 34 Cb 0.69 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3hha h LEU 34 CO 0.05 0.85 0.29 -0.33 0.09 0.00 0.00 178.44 179.39 3hha h GLU 35 N 0.74 0.49 -0.40 1.13 5.08 -0.38 0.22 114.58 121.45 3hha h GLU 35 Ca 0.16 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3hha h GLU 35 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3hha h GLU 35 CO 0.01 0.32 0.14 0.78 -1.00 0.00 0.00 179.01 179.26 3hha h GLY 36 N 0.50 0.66 1.49 -3.84 0.00 -1.17 -1.61 103.07 99.11 3hha h GLY 36 Ca 0.32 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 3hha h GLY 36 CO -0.28 0.35 -0.53 1.46 0.00 0.00 0.00 176.54 177.55 3hha h GLN 37 N 0.50 0.53 -0.71 4.80 1.08 -0.73 -1.29 115.11 119.30 3hha h GLN 37 Ca 0.13 -0.33 -0.04 0.00 -1.45 0.00 0.00 58.65 56.96 3hha h GLN 37 Cb 0.23 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 3hha h GLN 37 CO -0.01 0.93 0.26 0.52 -0.95 0.00 0.00 178.83 179.58 3hha h MET 38 N 0.42 1.06 -0.51 1.46 2.86 -0.56 -1.61 114.93 118.04 3hha h MET 38 Ca 0.01 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3hha h MET 38 Cb 1.06 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 3hha h MET 38 CO 0.10 0.87 0.19 0.35 1.06 0.00 0.00 176.91 179.48 3hha h PHE 39 N 1.03 0.78 -0.92 -0.22 3.57 -0.99 -0.59 116.94 119.60 3hha h PHE 39 Ca 0.24 -0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.79 3hha h PHE 39 Cb 0.23 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 3hha h PHE 39 CO 0.02 0.66 0.55 -0.09 -2.23 0.00 0.00 178.31 177.22 3hha h ARG 40 N 0.68 0.83 -0.06 1.11 2.43 -0.99 0.29 114.38 118.67 3hha h ARG 40 Ca 0.17 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 3hha h ARG 40 Cb 0.22 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3hha h ARG 40 CO -0.01 0.55 -0.55 -0.22 -1.51 0.00 0.00 179.97 178.23 3hha h LYS 41 N 0.86 0.48 0.00 0.20 3.64 -0.89 -3.40 116.57 117.46 3hha h LYS 41 Ca 0.47 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3hha h LYS 41 Cb 0.50 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3hha h LYS 41 CO -0.28 1.07 -0.95 0.25 -2.27 0.00 0.00 179.45 177.27 3hha n THR 42 N -4.22 0.00 -1.01 1.00 -2.24 -0.27 -5.01 114.28 102.53 3hha n THR 42 Ca -0.09 -0.21 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3hha n THR 42 Cb 0.63 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.43 3hha n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hha n GLY 43 N 1.81 0.44 3.14 3.38 0.00 0.99 -5.03 105.19 109.92 3hha n GLY 43 Ca -0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 3hha n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hha s ARG 44 N -0.63 2.67 -0.28 1.61 0.52 -1.26 -5.03 118.95 116.56 3hha s ARG 44 Ca 0.00 -0.74 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 3hha s ARG 44 Cb 0.00 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.30 3hha s ARG 44 CO 0.00 0.03 0.49 -1.17 0.02 0.00 0.00 175.30 174.67 3hha s LEU 45 N 0.72 4.11 -0.09 2.53 2.96 -1.26 -3.82 118.68 123.84 3hha s LEU 45 Ca -0.11 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3hha s LEU 45 Cb -0.16 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.94 3hha s LEU 45 CO 0.02 -0.32 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.03 3hha s ILE 46 N 2.30 0.90 0.23 6.68 1.01 -1.26 -5.11 121.20 125.95 3hha s ILE 46 Ca 0.20 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.30 3hha s ILE 46 Cb -0.16 -0.92 -0.10 0.00 0.01 0.00 0.00 42.46 41.30 3hha s ILE 46 CO 0.10 0.33 1.45 -0.55 0.00 0.00 0.00 174.94 176.28 3hha s SER 47 N 1.45 6.65 0.25 3.58 0.15 -1.26 -4.83 113.70 119.69 3hha s SER 47 Ca -0.01 2.64 0.07 0.00 0.70 0.00 0.00 55.95 59.36 3hha s SER 47 Cb -0.13 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 3hha s SER 47 CO -0.05 -0.72 0.15 -0.76 1.20 0.00 0.00 173.24 173.07 3hha s LEU 48 N -0.09 3.68 -0.51 3.45 1.43 -1.26 -0.57 118.68 124.82 3hha s LEU 48 Ca 0.61 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.14 3hha s LEU 48 Cb -0.42 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.62 3hha s LEU 48 CO 0.41 -0.02 0.94 -0.55 0.23 0.00 0.00 176.35 177.36 3hha s SER 49 N -3.74 6.41 0.28 2.29 0.15 -0.52 -4.03 113.70 114.54 3hha s SER 49 Ca 0.32 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.87 3hha s SER 49 Cb -0.08 -2.45 0.42 0.00 -1.71 0.00 0.00 66.02 62.21 3hha s SER 49 CO 0.24 -1.16 1.76 -0.33 1.20 0.00 0.00 173.24 174.95 3hha h GLU 50 N 9.22 0.57 -0.74 5.44 3.07 -1.87 -3.07 114.58 127.20 3hha h GLU 50 Ca -0.25 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 3hha h GLU 50 Cb 1.07 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.90 3hha h GLU 50 CO 1.06 0.70 0.38 0.37 -1.40 0.00 0.00 179.01 180.12 3hha h GLN 51 N 0.52 1.03 -0.63 2.33 5.75 -1.84 0.32 115.11 122.59 3hha h GLN 51 Ca 0.09 -0.13 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 3hha h GLN 51 Cb 0.56 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 3hha h GLN 51 CO 0.04 0.78 0.28 -0.97 -2.65 0.00 0.00 178.83 176.31 3hha h ASN 52 N 1.03 0.35 -0.19 -0.69 -0.73 -1.78 0.34 115.58 113.90 3hha h ASN 52 Ca 0.26 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.46 3hha h ASN 52 Cb 0.07 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3hha h ASN 52 CO -0.04 0.21 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.15 3hha h LEU 53 N 0.50 0.34 -0.64 0.34 3.38 -1.27 -1.86 115.31 116.11 3hha h LEU 53 Ca 0.31 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hha h LEU 53 Cb 0.32 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hha h LEU 53 CO -0.26 0.58 0.39 0.58 0.09 0.00 0.00 178.44 179.82 3hha h VAL 54 N 0.09 1.06 0.00 1.22 2.07 -0.56 -2.37 116.25 117.75 3hha h VAL 54 Ca 0.05 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 3hha h VAL 54 Cb 0.42 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3hha h VAL 54 CO 0.01 0.14 -0.90 0.44 0.02 0.00 0.00 177.57 177.28 3hha h ASP 55 N 0.75 0.00 0.00 0.57 3.32 -0.94 -3.38 116.42 116.74 3hha h ASP 55 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3hha h ASP 55 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hha h ASP 55 CO -0.12 0.90 -1.38 0.00 -1.72 0.00 0.00 179.24 176.92 3hha n SER 57 N -1.88 3.71 -0.24 0.00 3.41 -0.90 -4.25 113.62 113.47 3hha n SER 57 Ca -0.04 -2.52 0.01 0.00 -0.26 0.00 0.00 58.87 56.07 3hha n SER 57 Cb 0.32 -0.59 0.13 0.00 -0.26 0.00 0.00 64.21 63.81 3hha n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hha h GLY 58 N 4.47 1.05 2.00 5.00 0.00 -1.83 -2.34 103.07 111.42 3hha h GLY 58 Ca 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hha h GLY 58 CO 0.27 0.07 -0.00 -2.55 0.00 0.00 0.00 176.54 174.33 3hha h PRO 59 N 0.61 0.00 -0.00 4.80 0.11 -1.86 0.16 132.00 135.82 3hha h PRO 59 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3hha h PRO 59 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3hha h PRO 59 CO -0.26 0.00 -0.19 1.04 -0.21 0.00 0.00 178.00 178.39 3hha n GLN 60 N -3.59 0.52 0.00 1.05 3.00 -0.90 -4.92 117.38 112.54 3hha n GLN 60 Ca -0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3hha n GLN 60 Cb 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.82 3hha n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hha n GLY 61 N 1.35 1.23 3.78 1.08 0.00 0.05 -4.83 105.19 107.85 3hha n GLY 61 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3hha n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hha s ASN 62 N -1.65 5.21 -0.23 1.61 0.01 -1.08 -4.92 114.94 113.89 3hha s ASN 62 Ca 0.00 1.89 0.14 0.00 -0.71 0.00 0.00 52.86 54.17 3hha s ASN 62 Cb 0.00 -2.54 0.46 0.00 0.41 0.00 0.00 41.25 39.58 3hha s ASN 62 CO 0.00 -1.56 1.18 -0.62 -1.51 0.00 0.00 177.10 174.59 3hha n GLU 63 N -2.57 2.31 0.00 -0.60 1.02 0.07 -4.04 120.64 116.84 3hha n GLU 63 Ca 0.09 -3.57 0.00 0.00 -0.02 0.00 0.00 57.16 53.66 3hha n GLU 63 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3hha n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hha n GLY 64 N -0.64 3.55 0.00 0.62 0.00 -1.22 -0.78 105.19 106.72 3hha n GLY 64 Ca 0.26 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.33 3hha n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hha n ASN 66 N -1.17 1.64 0.00 0.00 5.03 0.04 -1.32 115.26 119.48 3hha n ASN 66 Ca 0.13 -1.47 0.00 0.00 0.87 0.00 0.00 54.58 54.11 3hha n ASN 66 Cb 0.14 0.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 3hha n ASN 66 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hha n GLY 67 N 1.23 2.25 0.00 7.41 0.00 -1.07 -4.93 105.19 110.08 3hha n GLY 67 Ca 0.17 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3hha n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 68 N -1.08 -1.14 3.15 -0.02 0.00 -1.26 -0.75 105.19 104.09 3hha n GLY 68 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 3hha n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hha s LEU 69 N 0.00 2.10 0.31 0.99 1.43 -1.26 -4.76 118.68 117.48 3hha s LEU 69 Ca 0.00 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3hha s LEU 69 Cb 0.00 -0.75 0.51 0.00 0.03 0.00 0.00 46.19 45.97 3hha s LEU 69 CO 0.00 0.13 1.94 0.24 0.23 0.00 0.00 176.35 178.89 3hha h MET 70 N 5.36 0.90 -0.43 1.70 2.86 -1.98 -2.18 114.93 121.17 3hha h MET 70 Ca -0.37 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.10 3hha h MET 70 Cb 1.16 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 3hha h MET 70 CO 0.46 0.66 -0.03 -0.44 1.06 0.00 0.00 176.91 178.63 3hha h ASP 71 N 0.91 0.68 -0.61 1.22 3.32 -1.96 -0.31 116.42 119.68 3hha h ASP 71 Ca 0.23 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 3hha h ASP 71 Cb 0.02 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3hha h ASP 71 CO -0.04 0.77 0.12 1.88 -1.72 0.00 0.00 179.24 180.25 3hha h TYR 72 N 0.67 1.08 -0.43 4.55 0.05 -1.73 -0.05 116.97 121.11 3hha h TYR 72 Ca 0.13 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3hha h TYR 72 Cb 0.45 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 3hha h TYR 72 CO 0.02 0.90 0.27 0.00 -1.05 0.00 0.00 178.16 178.31 3hha h ALA 73 N 1.15 0.55 -0.68 3.88 0.00 -0.84 -0.04 119.26 123.28 3hha h ALA 73 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hha h ALA 73 Cb 0.40 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hha h ALA 73 CO 0.01 -0.04 0.26 0.74 0.00 0.00 0.00 179.25 180.23 3hha h PHE 74 N 0.55 1.02 -0.64 0.00 0.04 -0.75 -1.72 116.94 115.43 3hha h PHE 74 Ca 0.17 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3hha h PHE 74 Cb -0.02 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3hha h PHE 74 CO -0.06 0.79 0.21 0.37 -0.60 0.00 0.00 178.31 179.02 3hha h GLN 75 N 0.99 0.99 -0.39 1.51 5.75 -0.79 -2.19 115.11 120.97 3hha h GLN 75 Ca 0.23 -0.21 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3hha h GLN 75 Cb 0.20 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3hha h GLN 75 CO -0.02 0.86 0.13 -0.92 -2.65 0.00 0.00 178.83 176.23 3hha h TYR 76 N 0.92 0.24 -0.90 3.99 3.20 -0.45 0.23 116.97 124.20 3hha h TYR 76 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 3hha h TYR 76 Cb 0.27 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3hha h TYR 76 CO 0.02 0.09 0.50 0.28 -1.64 0.00 0.00 178.16 177.41 3hha h VAL 77 N 0.29 1.26 0.22 1.81 2.07 -1.11 0.27 116.25 121.05 3hha h VAL 77 Ca 0.18 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3hha h VAL 77 Cb 0.16 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3hha h VAL 77 CO -0.19 0.29 -0.10 -0.61 0.02 0.00 0.00 177.57 176.98 3hha h GLN 78 N 1.26 -0.28 -0.68 1.57 4.15 -1.10 -1.03 115.11 118.99 3hha h GLN 78 Ca 0.32 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.73 3hha h GLN 78 Cb 0.02 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3hha h GLN 78 CO -0.05 -0.08 0.30 -0.44 -1.93 0.00 0.00 178.83 176.63 3hha h ASP 79 N -0.44 0.90 1.82 -0.69 3.32 -0.58 -2.86 116.42 117.89 3hha h ASP 79 Ca -0.03 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 3hha h ASP 79 Cb 0.34 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3hha h ASP 79 CO 0.05 0.79 -0.18 -1.13 -1.72 0.00 0.00 179.24 177.04 3hha h ASN 80 N 0.98 0.00 -0.46 6.45 -1.24 -0.43 -3.48 115.58 117.40 3hha h ASN 80 Ca 0.23 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 57.11 3hha h ASN 80 Cb 0.15 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.15 3hha h ASN 80 CO -0.03 0.17 -0.13 0.61 -1.29 0.00 0.00 177.43 176.76 3hha n GLY 81 N 1.14 0.71 0.00 1.57 0.00 -0.42 -4.97 105.19 103.22 3hha n GLY 81 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3hha n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 82 N -1.90 0.65 3.33 -0.02 0.00 -1.01 -4.90 105.19 101.33 3hha n GLY 82 Ca -0.07 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 3hha n GLY 82 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hha s LEU 83 N 0.00 -0.13 0.62 0.99 2.96 -1.01 -4.64 118.68 117.48 3hha s LEU 83 Ca 0.00 0.97 -0.15 0.00 -0.22 0.00 0.00 54.13 54.73 3hha s LEU 83 Cb 0.00 1.51 -0.02 0.00 0.50 0.00 0.00 46.19 48.18 3hha s LEU 83 CO 0.00 -0.19 1.07 -1.81 -1.32 0.00 0.00 176.35 174.10 3hha s ASP 84 N 1.21 5.56 0.67 3.68 1.01 -1.26 -1.45 116.67 126.09 3hha s ASP 84 Ca -0.08 1.84 -0.15 0.00 0.71 0.00 0.00 52.55 54.87 3hha s ASP 84 Cb -0.07 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.33 3hha s ASP 84 CO -0.11 -1.32 1.14 -0.94 0.21 0.00 0.00 175.17 174.15 3hha s SER 85 N -2.84 4.87 0.25 0.27 1.04 -1.01 -1.44 113.70 114.84 3hha s SER 85 Ca 0.64 2.11 -0.04 0.00 0.48 0.00 0.00 55.95 59.15 3hha s SER 85 Cb -0.17 -2.56 0.41 0.00 0.10 0.00 0.00 66.02 63.80 3hha s SER 85 CO 0.40 -1.80 1.82 -0.08 0.98 0.00 0.00 173.24 174.56 3hha h GLU 86 N -0.01 0.82 -0.76 4.02 4.57 -0.97 -1.61 114.58 120.63 3hha h GLU 86 Ca -0.47 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3hha h GLU 86 Cb 1.26 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3hha h GLU 86 CO 0.53 0.54 0.50 1.49 -1.18 0.00 0.00 179.01 180.89 3hha h GLU 87 N 0.84 1.00 0.00 1.92 4.81 -1.93 -2.73 114.58 118.50 3hha h GLU 87 Ca 0.41 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.50 3hha h GLU 87 Cb 0.36 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3hha h GLU 87 CO -0.24 0.67 -0.39 0.66 -0.73 0.00 0.00 179.01 178.98 3hha h SER 88 N 1.03 0.00 -1.90 1.04 4.64 -1.84 -3.39 113.55 113.13 3hha h SER 88 Ca 0.28 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.07 3hha h SER 88 Cb -0.11 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.62 3hha h SER 88 CO -0.06 0.39 -1.01 0.00 -0.87 0.00 0.00 176.83 175.28 3hha n TYR 89 N -3.23 -0.86 -1.31 4.77 4.19 -0.64 -5.00 117.16 115.09 3hha n TYR 89 Ca 0.02 -3.28 -0.30 0.00 3.31 0.00 0.00 57.90 57.64 3hha n TYR 89 Cb 0.67 0.02 0.11 0.00 0.49 0.00 0.00 39.34 40.62 3hha n TYR 89 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3hha s PRO 90 N -0.65 1.88 -0.04 2.98 0.04 -1.05 -4.50 135.00 133.66 3hha s PRO 90 Ca 0.34 0.93 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 3hha s PRO 90 Cb 0.14 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 3hha s PRO 90 CO -0.14 -1.84 0.79 -0.47 0.04 0.00 0.00 177.00 175.38 3hha s TYR 91 N -2.97 3.62 -0.22 0.56 5.04 -1.26 -4.72 117.35 117.40 3hha s TYR 91 Ca 0.62 1.40 0.03 0.00 -2.44 0.00 0.00 57.07 56.68 3hha s TYR 91 Cb -0.17 -2.90 -0.02 0.00 0.35 0.00 0.00 41.96 39.22 3hha s TYR 91 CO 0.56 0.08 0.24 0.39 -1.34 0.00 0.00 175.55 175.48 3hha n GLU 92 N 3.72 4.61 -2.26 4.97 -0.58 -1.26 -5.03 120.64 124.80 3hha n GLU 92 Ca 0.01 -0.15 -0.19 0.00 -0.42 0.00 0.00 57.16 56.41 3hha n GLU 92 Cb 0.51 -0.74 -0.02 0.00 -0.57 0.00 0.00 31.44 30.62 3hha n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hha n ALA 93 N -0.81 -0.52 -3.50 0.62 0.00 -1.26 -4.97 120.51 110.06 3hha n ALA 93 Ca 0.01 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.44 3hha n ALA 93 Cb 0.06 -2.02 -0.06 0.00 0.00 0.00 0.00 19.45 17.43 3hha n ALA 93 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hha s THR 94 N -2.91 0.00 0.17 0.00 -1.32 -1.26 -4.32 115.64 106.00 3hha s THR 94 Ca 0.00 -0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.16 3hha s THR 94 Cb 0.00 -0.98 -0.07 0.00 -1.51 0.00 0.00 72.50 69.93 3hha s THR 94 CO 0.00 -0.01 1.09 -0.70 -2.21 0.00 0.00 174.62 172.78 3hha s GLU 95 N -1.29 4.60 0.29 7.08 2.12 -1.26 -4.98 118.70 125.26 3hha s GLU 95 Ca -0.11 1.69 0.02 0.00 0.36 0.00 0.00 54.97 56.94 3hha s GLU 95 Cb -0.00 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 3hha s GLU 95 CO 0.09 0.09 0.12 -1.21 -0.54 0.00 0.00 175.26 173.81 3hha s GLU 96 N -0.34 1.52 0.72 4.30 2.02 -1.26 -5.09 118.70 120.57 3hha s GLU 96 Ca 0.49 -1.85 -0.14 0.00 0.02 0.00 0.00 54.97 53.50 3hha s GLU 96 Cb -0.29 -0.26 0.03 0.00 0.10 0.00 0.00 34.13 33.71 3hha s GLU 96 CO 0.34 -0.35 1.13 -1.54 0.02 0.00 0.00 175.26 174.86 3hha s SER 97 N -3.36 4.59 0.24 -0.19 1.04 -1.26 -4.52 113.70 110.24 3hha s SER 97 Ca 0.36 2.07 -0.31 0.00 0.48 0.00 0.00 55.95 58.55 3hha s SER 97 Cb 0.07 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 3hha s SER 97 CO 0.15 -1.98 1.60 0.00 0.98 0.00 0.00 173.24 173.99 3hha n LYS 99 N 2.80 1.52 -1.65 0.00 4.01 -1.26 -5.08 118.16 118.50 3hha n LYS 99 Ca 0.12 -3.20 -0.46 0.00 -0.51 0.00 0.00 58.31 54.26 3hha n LYS 99 Cb 0.34 -1.29 -0.04 0.00 -0.51 0.00 0.00 35.03 33.54 3hha n LYS 99 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 3hha n TYR 100 N -0.37 2.02 -3.96 2.13 9.36 -1.26 -4.99 117.16 120.10 3hha n TYR 100 Ca 0.12 0.44 -0.29 0.00 3.32 0.00 0.00 57.90 61.49 3hha n TYR 100 Cb 0.90 -2.45 -0.16 0.00 -0.63 0.00 0.00 39.34 37.00 3hha n TYR 100 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hha s ASN 101 N 0.43 2.99 0.63 2.98 3.84 -1.26 -5.02 114.94 119.53 3hha s ASN 101 Ca 0.73 -0.70 0.41 0.00 0.21 0.00 0.00 52.86 53.51 3hha s ASN 101 Cb -0.71 -1.09 2.06 0.00 -0.55 0.00 0.00 41.25 40.96 3hha s ASN 101 CO 0.47 -0.14 2.24 1.55 -2.79 0.00 0.00 177.10 178.43 3hha h PRO 102 N 8.05 0.00 -0.37 0.43 0.13 -1.98 -1.84 132.00 136.41 3hha h PRO 102 Ca -0.29 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.87 3hha h PRO 102 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3hha h PRO 102 CO 0.46 0.00 0.25 -0.22 -0.23 0.00 0.00 178.00 178.26 3hha h LYS 103 N 0.00 0.39 -0.49 0.86 3.64 -2.02 -2.54 116.57 116.41 3hha h LYS 103 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hha h LYS 103 Cb 0.18 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3hha h LYS 103 CO 0.00 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 3hha n TYR 104 N -4.48 1.08 -2.33 1.91 4.01 -0.69 -4.97 117.16 111.68 3hha n TYR 104 Ca 0.04 -0.63 -0.41 0.00 -0.16 0.00 0.00 57.90 56.73 3hha n TYR 104 Cb 0.15 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3hha n TYR 104 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hha s SER 105 N -1.15 7.02 0.00 7.72 0.15 -0.96 -2.40 113.70 124.08 3hha s SER 105 Ca 0.42 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.30 3hha s SER 105 Cb 0.27 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3hha s SER 105 CO 0.19 -0.46 0.57 1.33 1.20 0.00 0.00 173.24 176.08 3hha n VAL 106 N 2.99 0.33 -3.86 4.45 0.24 -0.53 -4.92 118.33 117.03 3hha n VAL 106 Ca 0.06 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 3hha n VAL 106 Cb 0.44 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 3hha n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hha s ALA 107 N -0.33 -0.29 0.11 2.33 0.00 -1.20 -5.01 121.76 117.37 3hha s ALA 107 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3hha s ALA 107 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.43 3hha s ALA 107 CO 0.00 -0.40 0.14 -0.80 0.00 0.00 0.00 175.76 174.70 3hha s ASN 108 N -2.30 0.22 0.15 0.00 -0.87 -1.26 -2.40 114.94 108.48 3hha s ASN 108 Ca -0.02 -0.91 -0.15 0.00 -1.57 0.00 0.00 52.86 50.20 3hha s ASN 108 Cb 0.01 0.33 0.03 0.00 -0.02 0.00 0.00 41.25 41.59 3hha s ASN 108 CO -0.06 -0.75 0.41 1.51 -2.57 0.00 0.00 177.10 175.64 3hha s ASP 109 N -2.95 -0.19 -0.26 -1.22 1.47 -1.26 -4.79 116.67 107.47 3hha s ASP 109 Ca 0.13 -0.45 0.10 0.00 1.18 0.00 0.00 52.55 53.51 3hha s ASP 109 Cb 0.06 0.49 0.48 0.00 -0.34 0.00 0.00 42.92 43.61 3hha s ASP 109 CO -0.05 -0.91 1.38 0.00 0.68 0.00 0.00 175.17 176.27 3hha n ALA 110 N -0.25 4.07 0.00 2.11 0.00 0.13 -3.90 120.51 122.67 3hha n ALA 110 Ca -0.13 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.12 3hha n ALA 110 Cb 0.63 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3hha n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 111 N -1.12 0.40 3.50 0.00 0.00 -1.25 -4.85 105.19 101.86 3hha n GLY 111 Ca 0.28 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 3hha n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 112 N 0.00 0.10 -0.11 1.61 -0.71 -1.26 -1.04 117.98 116.58 3hha s PHE 112 Ca 0.00 -0.46 0.02 0.00 -1.04 0.00 0.00 56.93 55.45 3hha s PHE 112 Cb 0.00 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 42.07 3hha s PHE 112 CO 0.00 -0.90 -0.17 0.08 -1.34 0.00 0.00 175.22 172.90 3hha s VAL 113 N -3.93 1.60 -0.16 -2.49 1.01 -0.17 -4.85 120.40 111.41 3hha s VAL 113 Ca 0.14 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 3hha s VAL 113 Cb -0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3hha s VAL 113 CO 0.01 0.46 0.45 -1.81 0.00 0.00 0.00 175.10 174.21 3hha s ASP 114 N 0.83 6.57 0.14 3.32 1.01 -1.26 -1.88 116.67 125.39 3hha s ASP 114 Ca -0.10 0.68 -0.22 0.00 0.71 0.00 0.00 52.55 53.62 3hha s ASP 114 Cb -0.16 -2.26 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 3hha s ASP 114 CO 0.01 -0.05 0.69 -0.63 0.21 0.00 0.00 175.17 175.40 3hha s ILE 115 N 1.01 4.53 0.58 0.77 1.01 -0.25 -5.00 121.20 123.85 3hha s ILE 115 Ca 0.23 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 62.17 3hha s ILE 115 Cb -0.15 -4.02 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 3hha s ILE 115 CO 0.09 0.50 0.69 -2.65 0.00 0.00 0.00 174.94 173.57 3hha n PRO 116 N 1.55 0.65 -1.68 2.79 -0.02 -1.26 -4.65 135.00 132.38 3hha n PRO 116 Ca -0.07 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.28 3hha n PRO 116 Cb 0.50 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 3hha n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hha n LYS 117 N -0.42 4.06 -3.67 -0.52 5.02 -1.26 -4.54 118.16 116.83 3hha n LYS 117 Ca 0.12 -2.86 -0.10 0.00 -2.02 0.00 0.00 58.31 53.46 3hha n LYS 117 Cb 0.47 -2.64 -0.04 0.00 -0.02 0.00 0.00 35.03 32.81 3hha n LYS 117 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3hha s GLN 118 N 0.08 1.30 0.39 1.97 1.03 -1.26 -4.81 119.66 118.36 3hha s GLN 118 Ca 0.61 -0.78 0.21 0.00 0.04 0.00 0.00 55.36 55.44 3hha s GLN 118 Cb 0.20 0.52 0.43 0.00 0.03 0.00 0.00 33.01 34.19 3hha s GLN 118 CO -0.09 -0.55 1.62 0.93 -2.54 0.00 0.00 175.29 174.67 3hha h GLU 119 N 2.21 0.00 -0.46 9.60 5.08 -1.91 -2.05 114.58 127.04 3hha h GLU 119 Ca -0.31 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 3hha h GLU 119 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 3hha h GLU 119 CO 0.39 0.22 -0.00 0.87 -1.00 0.00 0.00 179.01 179.50 3hha h LYS 120 N 0.00 0.82 -0.56 2.33 1.79 -1.97 -0.81 116.57 118.16 3hha h LYS 120 Ca -0.00 -0.26 -0.09 0.00 -2.18 0.00 0.00 60.65 58.12 3hha h LYS 120 Cb 1.06 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.61 3hha h LYS 120 CO 0.03 0.87 -0.00 0.00 -1.08 0.00 0.00 179.45 179.27 3hha h ALA 121 N 0.92 0.76 -0.65 3.86 0.00 -1.82 -1.53 119.26 120.79 3hha h ALA 121 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3hha h ALA 121 Cb 0.50 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hha h ALA 121 CO 0.02 0.59 0.33 1.25 0.00 0.00 0.00 179.25 181.43 3hha h LEU 122 N 0.88 0.84 -0.59 0.00 5.85 -1.29 -1.38 115.31 119.62 3hha h LEU 122 Ca 0.16 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hha h LEU 122 Cb 0.54 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3hha h LEU 122 CO 0.03 0.73 0.30 -0.03 -0.34 0.00 0.00 178.44 179.13 3hha h MET 123 N 0.90 0.84 -0.86 1.25 4.05 -0.91 -0.01 114.93 120.19 3hha h MET 123 Ca 0.23 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3hha h MET 123 Cb 0.10 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 3hha h MET 123 CO -0.03 0.67 0.49 -0.22 0.23 0.00 0.00 176.91 178.05 3hha h LYS 124 N 0.81 1.19 -0.20 0.39 3.64 -1.05 -0.91 116.57 120.44 3hha h LYS 124 Ca 0.21 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3hha h LYS 124 Cb 0.09 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3hha h LYS 124 CO -0.03 0.85 -0.05 0.00 -2.27 0.00 0.00 179.45 177.96 3hha h ALA 125 N 1.34 0.27 -0.77 5.00 0.00 -0.79 -1.49 119.26 122.82 3hha h ALA 125 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hha h ALA 125 Cb -0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3hha h ALA 125 CO -0.05 0.05 0.46 0.28 0.00 0.00 0.00 179.25 179.99 3hha h VAL 126 N 0.10 1.03 -0.12 0.00 2.07 -0.79 0.70 116.25 119.24 3hha h VAL 126 Ca 0.05 -0.29 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3hha h VAL 126 Cb 0.49 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3hha h VAL 126 CO 0.02 0.16 -0.58 0.00 0.02 0.00 0.00 177.57 177.19 3hha h ALA 127 N 1.37 0.79 0.00 1.67 0.00 -1.00 -3.20 119.26 118.89 3hha h ALA 127 Ca 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hha h ALA 127 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hha h ALA 127 CO -0.16 0.71 -1.64 0.25 0.00 0.00 0.00 179.25 178.40 3hha n THR 128 N -3.91 0.00 -0.06 0.00 -2.24 -0.57 -4.74 114.28 102.75 3hha n THR 128 Ca -0.03 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3hha n THR 128 Cb 0.61 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 3hha n THR 128 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hha n VAL 129 N -1.99 0.94 0.00 2.28 0.31 0.22 -5.06 118.33 115.02 3hha n VAL 129 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3hha n VAL 129 Cb 0.43 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3hha n VAL 129 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hha n GLY 130 N 2.14 0.92 3.67 2.92 0.00 -1.21 -4.91 105.19 108.73 3hha n GLY 130 Ca -0.24 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 3hha n GLY 130 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hha n PRO 131 N 0.00 1.89 -5.08 1.61 -0.02 -1.26 -4.38 135.00 127.76 3hha n PRO 131 Ca 0.00 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 3hha n PRO 131 Cb 0.00 -2.23 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 3hha n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hha s ILE 132 N -1.13 1.83 0.15 4.25 -1.09 -0.36 -4.71 121.20 120.15 3hha s ILE 132 Ca 0.58 -0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 3hha s ILE 132 Cb -0.58 -1.59 -0.08 0.00 -1.58 0.00 0.00 42.46 38.64 3hha s ILE 132 CO 0.61 0.51 1.27 -0.44 -1.23 0.00 0.00 174.94 175.65 3hha s SER 133 N 0.29 6.98 0.06 3.58 0.01 -0.47 -0.74 113.70 123.40 3hha s SER 133 Ca -0.14 2.26 -0.03 0.00 1.31 0.00 0.00 55.95 59.35 3hha s SER 133 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 3hha s SER 133 CO 0.07 -0.49 0.01 0.68 0.41 0.00 0.00 173.24 173.92 3hha s VAL 134 N 0.41 0.20 0.02 3.43 -7.23 -0.70 -0.98 120.40 115.55 3hha s VAL 134 Ca 0.57 -1.65 0.06 0.00 -1.81 0.00 0.00 61.98 59.14 3hha s VAL 134 Cb -0.34 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3hha s VAL 134 CO 0.35 -0.91 -0.14 0.00 -0.31 0.00 0.00 175.10 174.09 3hha s ALA 135 N -3.81 2.75 0.13 1.32 0.00 -1.23 -0.63 121.76 120.29 3hha s ALA 135 Ca 0.06 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3hha s ALA 135 Cb 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3hha s ALA 135 CO -0.10 0.59 -0.09 0.96 0.00 0.00 0.00 175.76 177.12 3hha s ILE 136 N -0.94 1.04 -0.72 0.00 -4.36 -0.03 -3.84 121.20 112.35 3hha s ILE 136 Ca 0.15 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.27 3hha s ILE 136 Cb -0.11 -1.78 0.03 0.00 1.25 0.00 0.00 42.46 41.86 3hha s ILE 136 CO 0.06 -0.77 1.24 -0.62 0.24 0.00 0.00 174.94 175.10 3hha s ASP 137 N -3.09 6.18 -0.08 4.36 2.15 -0.07 -1.35 116.67 124.77 3hha s ASP 137 Ca 0.15 -0.46 0.17 0.00 0.43 0.00 0.00 52.55 52.85 3hha s ASP 137 Cb 0.03 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.71 3hha s ASP 137 CO -0.01 -1.77 1.52 0.00 -0.17 0.00 0.00 175.17 174.74 3hha n ALA 138 N 9.15 2.79 -1.33 3.66 0.00 -1.26 -4.82 120.51 128.70 3hha n ALA 138 Ca 0.03 -1.55 -0.22 0.00 0.00 0.00 0.00 53.44 51.69 3hha n ALA 138 Cb 0.49 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 3hha n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hha n GLY 139 N 0.91 3.89 3.02 0.00 0.00 -1.26 -4.72 105.19 107.03 3hha n GLY 139 Ca 0.22 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3hha n GLY 139 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hha s HIS 140 N -0.57 0.02 0.36 1.61 3.76 -1.26 -5.04 115.29 114.18 3hha s HIS 140 Ca 0.62 -0.05 0.10 0.00 -0.15 0.00 0.00 55.06 55.58 3hha s HIS 140 Cb 0.34 -0.04 0.85 0.00 1.11 0.00 0.00 32.58 34.84 3hha s HIS 140 CO -0.13 -0.16 1.87 1.49 -0.85 0.00 0.00 174.74 176.96 3hha h GLU 141 N 5.12 0.64 -0.60 1.40 4.81 -2.00 -0.97 114.58 122.98 3hha h GLU 141 Ca -0.28 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.00 3hha h GLU 141 Cb 1.20 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3hha h GLU 141 CO 0.42 0.42 0.40 0.66 -0.73 0.00 0.00 179.01 180.19 3hha h SER 142 N 0.66 0.39 -0.06 1.04 4.64 -1.96 -0.88 113.55 117.38 3hha h SER 142 Ca 0.45 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.63 3hha h SER 142 Cb 0.77 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3hha h SER 142 CO -0.21 0.24 -0.53 0.15 -0.87 0.00 0.00 176.83 175.61 3hha h PHE 143 N 0.44 0.65 -0.88 4.77 3.57 -1.48 -2.01 116.94 122.00 3hha h PHE 143 Ca 0.28 -0.31 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3hha h PHE 143 Cb 0.50 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 3hha h PHE 143 CO -0.00 1.10 0.54 -0.07 -2.23 0.00 0.00 178.31 177.65 3hha h LEU 144 N 0.02 0.83 -1.70 0.59 3.38 -1.19 -2.81 115.31 114.43 3hha h LEU 144 Ca -0.05 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hha h LEU 144 Cb 1.20 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3hha h LEU 144 CO 0.11 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.64 3hha n PHE 145 N -4.64 0.32 -1.68 1.13 3.72 -0.40 -4.84 117.46 111.07 3hha n PHE 145 Ca 0.14 -0.16 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3hha n PHE 145 Cb 0.22 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3hha n PHE 145 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3hha n TYR 146 N 0.91 2.11 0.00 1.38 9.36 -0.76 -4.91 117.16 125.25 3hha n TYR 146 Ca 0.17 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.95 3hha n TYR 146 Cb 0.47 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.80 3hha n TYR 146 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3hha n LYS 147 N 0.45 1.51 -3.86 2.98 4.76 -1.26 -2.78 118.16 119.95 3hha n LYS 147 Ca 0.06 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.42 3hha n LYS 147 Cb 0.37 -0.50 -0.03 0.00 -1.84 0.00 0.00 35.03 33.02 3hha n LYS 147 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hha s GLU 148 N -0.75 1.64 0.59 1.97 0.41 -1.26 -3.65 118.70 117.65 3hha s GLU 148 Ca 0.00 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.54 3hha s GLU 148 Cb 0.00 0.56 0.00 0.00 -1.78 0.00 0.00 34.13 32.91 3hha s GLU 148 CO 0.00 -0.73 0.00 0.41 -0.49 0.00 0.00 175.26 174.45 3hha n GLY 149 N -0.42 -2.10 3.54 -1.39 0.00 -1.26 -4.82 105.19 98.73 3hha n GLY 149 Ca -0.05 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3hha n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hha s ILE 150 N -0.13 5.16 0.01 -0.61 1.01 -1.26 -4.09 121.20 121.29 3hha s ILE 150 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.34 3hha s ILE 150 Cb 0.00 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 3hha s ILE 150 CO 0.00 -0.13 1.54 -0.47 0.00 0.00 0.00 174.94 175.88 3hha s TYR 151 N 2.02 2.50 -0.05 3.97 5.04 0.12 -4.80 117.35 126.15 3hha s TYR 151 Ca 0.12 0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 55.23 3hha s TYR 151 Cb -0.17 -3.82 0.03 0.00 0.35 0.00 0.00 41.96 38.35 3hha s TYR 151 CO 0.12 -3.25 0.08 0.12 -1.34 0.00 0.00 175.55 171.28 3hha s PHE 152 N 2.88 0.00 -0.22 4.97 5.36 -1.26 -1.46 117.98 128.26 3hha s PHE 152 Ca 0.69 0.32 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 3hha s PHE 152 Cb -0.35 -0.39 0.05 0.00 -0.34 0.00 0.00 43.02 41.99 3hha s PHE 152 CO 0.29 -0.19 -0.10 -2.00 -1.46 0.00 0.00 175.22 171.76 3hha s GLU 153 N 2.00 2.07 0.42 10.12 2.56 -1.26 -5.01 118.70 129.61 3hha s GLU 153 Ca 0.02 -0.97 0.20 0.00 0.00 0.00 0.00 54.97 54.22 3hha s GLU 153 Cb -0.12 -2.55 1.15 0.00 2.00 0.00 0.00 34.13 34.61 3hha s GLU 153 CO -0.04 -0.47 1.79 -1.35 -0.56 0.00 0.00 175.26 174.64 3hha h PRO 154 N 7.93 0.34 -0.44 4.30 0.11 -2.05 -1.35 132.00 140.84 3hha h PRO 154 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hha h PRO 154 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hha h PRO 154 CO 0.47 0.23 0.00 -3.47 -0.21 0.00 0.00 178.00 175.02 3hha n ASP 155 N -4.55 2.21 -4.77 -2.05 2.03 -1.26 -4.94 116.55 103.21 3hha n ASP 155 Ca 0.24 -2.07 -0.39 0.00 0.52 0.00 0.00 54.79 53.09 3hha n ASP 155 Cb 0.88 -0.30 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 3hha n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hha s SER 157 N -0.97 5.98 0.00 0.00 0.15 -1.26 -4.65 113.70 112.95 3hha s SER 157 Ca 0.55 0.26 0.27 0.00 0.70 0.00 0.00 55.95 57.72 3hha s SER 157 Cb -0.33 -1.80 0.75 0.00 -1.71 0.00 0.00 66.02 62.92 3hha s SER 157 CO 0.42 0.29 1.57 -1.20 1.20 0.00 0.00 173.24 175.52 3hha n SER 158 N 1.26 1.86 0.00 5.45 7.64 -1.26 -2.75 113.62 125.82 3hha n SER 158 Ca -0.14 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.18 3hha n SER 158 Cb 0.53 0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 3hha n SER 158 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hha n GLU 159 N 0.38 3.08 -2.31 1.43 -0.58 -1.26 -4.38 120.64 117.00 3hha n GLU 159 Ca 0.17 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.51 3hha n GLU 159 Cb 0.42 -0.96 0.03 0.00 -0.57 0.00 0.00 31.44 30.36 3hha n GLU 159 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3hha n ASP 160 N -1.78 7.16 -4.77 1.62 5.68 -1.26 -5.03 116.55 118.18 3hha n ASP 160 Ca 0.00 -3.76 -0.39 0.00 -0.50 0.00 0.00 54.79 50.14 3hha n ASP 160 Cb 0.37 -1.05 -0.02 0.00 -1.14 0.00 0.00 41.12 39.28 3hha n ASP 160 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3hha s MET 161 N -4.13 4.13 0.00 0.11 1.00 -1.26 -4.61 119.30 114.54 3hha s MET 161 Ca 0.46 1.86 0.00 0.00 0.00 0.00 0.00 55.69 58.02 3hha s MET 161 Cb 0.32 -2.75 0.00 0.00 0.00 0.00 0.00 34.83 32.41 3hha s MET 161 CO -0.27 -0.26 0.30 -0.40 0.00 0.00 0.00 175.02 174.39 3hha n ASP 162 N 0.22 0.57 -3.70 3.03 5.68 -0.46 -4.89 116.55 117.01 3hha n ASP 162 Ca 0.03 -1.03 -0.15 0.00 -0.50 0.00 0.00 54.79 53.15 3hha n ASP 162 Cb 0.46 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.30 3hha n ASP 162 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3hha s HIS 163 N -0.03 -0.26 -0.05 2.11 5.04 -0.84 -4.96 115.29 116.31 3hha s HIS 163 Ca 0.00 0.70 -0.21 0.00 -1.54 0.00 0.00 55.06 54.01 3hha s HIS 163 Cb 0.00 -0.12 -0.05 0.00 0.04 0.00 0.00 32.58 32.46 3hha s HIS 163 CO 0.00 -0.26 0.59 0.20 -2.34 0.00 0.00 174.74 172.93 3hha s GLY 164 N 1.89 2.56 0.10 1.59 0.00 -1.26 -0.85 107.32 111.34 3hha s GLY 164 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3hha s GLY 164 CO -0.07 0.85 0.11 3.33 0.00 0.00 0.00 173.10 177.32 3hha n VAL 165 N 3.20 0.00 -4.10 1.40 0.24 0.20 -4.50 118.33 114.77 3hha n VAL 165 Ca -0.06 -0.61 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 3hha n VAL 165 Cb 0.51 0.33 -0.17 0.00 -1.47 0.00 0.00 33.84 33.05 3hha n VAL 165 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hha s LEU 166 N 0.00 1.21 -0.26 1.34 2.96 -0.96 -1.73 118.68 121.25 3hha s LEU 166 Ca 0.10 -0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.60 3hha s LEU 166 Cb 0.00 -0.63 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 3hha s LEU 166 CO 0.07 -0.08 0.63 -0.69 -1.32 0.00 0.00 176.35 174.96 3hha s VAL 167 N 1.29 4.98 -1.40 1.68 1.01 0.08 -0.33 120.40 127.70 3hha s VAL 167 Ca -0.04 1.13 0.12 0.00 0.00 0.00 0.00 61.98 63.19 3hha s VAL 167 Cb -0.14 -3.94 0.18 0.00 0.00 0.00 0.00 36.38 32.48 3hha s VAL 167 CO -0.02 0.02 1.03 1.33 0.00 0.00 0.00 175.10 177.45 3hha n VAL 168 N 5.21 0.33 -3.68 2.92 0.24 0.14 -1.22 118.33 122.27 3hha n VAL 168 Ca -0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 3hha n VAL 168 Cb 0.49 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 3hha n VAL 168 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hha n GLY 169 N 0.69 -1.18 3.68 7.63 0.00 -1.18 -1.22 105.19 113.61 3hha n GLY 169 Ca 0.09 -1.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.00 3hha n GLY 169 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hha s TYR 170 N -3.00 -0.20 -0.48 1.61 -0.85 -0.44 -0.83 117.35 113.16 3hha s TYR 170 Ca 0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 3hha s TYR 170 Cb 0.00 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3hha s TYR 170 CO 0.00 -0.75 0.00 0.41 -1.52 0.00 0.00 175.55 173.69 3hha n GLY 171 N -0.40 -0.67 3.15 5.49 0.00 -0.31 -1.18 105.19 111.27 3hha n GLY 171 Ca -0.07 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3hha n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hha s PHE 172 N -3.50 0.18 0.25 1.61 -0.71 -1.26 -1.45 117.98 113.09 3hha s PHE 172 Ca 0.00 -0.51 0.11 0.00 -1.04 0.00 0.00 56.93 55.49 3hha s PHE 172 Cb 0.00 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 3hha s PHE 172 CO 0.00 -0.43 -0.19 -1.21 -1.34 0.00 0.00 175.22 172.05 3hha s GLU 173 N -2.99 1.58 1.89 1.99 2.02 -0.36 -4.99 118.70 117.84 3hha s GLU 173 Ca -0.02 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.27 3hha s GLU 173 Cb 0.01 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.61 3hha s GLU 173 CO -0.06 0.31 0.00 0.45 0.02 0.00 0.00 175.26 175.97 3hha n SER 174 N -0.46 -4.48 -4.69 -0.19 2.88 -1.26 -4.39 113.62 101.02 3hha n SER 174 Ca -0.07 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.04 3hha n SER 174 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 3hha n SER 174 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hha n THR 175 N -1.41 0.01 -0.28 2.46 -1.04 -1.26 -4.86 114.28 107.90 3hha n THR 175 Ca 0.00 -0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 3hha n THR 175 Cb 0.00 -1.77 0.33 0.00 -1.82 0.00 0.00 70.33 67.07 3hha n THR 175 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 3hha h GLU 176 N 6.33 0.78 0.00 -2.82 4.81 -1.99 -1.37 114.58 120.33 3hha h GLU 176 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hha h GLU 176 Cb 1.23 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3hha h GLU 176 CO 0.92 0.52 0.00 -1.13 -0.73 0.00 0.00 179.01 178.59 3hha n SER 177 N -4.55 0.37 0.00 1.04 3.41 -1.26 -1.83 113.62 110.81 3hha n SER 177 Ca 0.16 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 3hha n SER 177 Cb 0.38 -0.67 0.64 0.00 -0.26 0.00 0.00 64.21 64.30 3hha n SER 177 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hha n ASP 178 N -1.91 0.00 -3.74 4.04 8.00 -0.51 -4.93 116.55 117.50 3hha n ASP 178 Ca 0.03 -0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.22 3hha n ASP 178 Cb 0.21 -0.30 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3hha n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hha n ASN 179 N -1.30 -5.38 -4.29 -2.24 5.03 -0.76 -4.89 115.26 101.44 3hha n ASN 179 Ca 0.12 -0.66 -0.44 0.00 0.87 0.00 0.00 54.58 54.47 3hha n ASN 179 Cb 0.21 -4.50 0.00 0.00 -1.02 0.00 0.00 39.78 34.48 3hha n ASN 179 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3hha n ASN 180 N -2.94 5.42 -4.75 6.41 5.15 -1.26 -4.98 115.26 118.30 3hha n ASN 180 Ca 0.00 -3.06 -0.28 0.00 -0.60 0.00 0.00 54.58 50.64 3hha n ASN 180 Cb 0.55 -1.47 -0.07 0.00 -0.53 0.00 0.00 39.78 38.27 3hha n ASN 180 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3hha s LYS 181 N 0.11 2.77 0.06 1.20 1.02 -1.26 -1.22 119.74 122.41 3hha s LYS 181 Ca 0.38 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 3hha s LYS 181 Cb -0.02 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3hha s LYS 181 CO -0.01 0.52 0.12 1.52 -0.92 0.00 0.00 175.35 176.58 3hha s TYR 182 N -1.53 0.23 -0.04 3.18 -0.85 -0.53 -2.05 117.35 115.74 3hha s TYR 182 Ca 0.29 -0.61 -0.14 0.00 -0.52 0.00 0.00 57.07 56.09 3hha s TYR 182 Cb -0.11 -0.15 -0.05 0.00 0.38 0.00 0.00 41.96 42.03 3hha s TYR 182 CO 0.21 -0.44 0.36 -1.58 -1.52 0.00 0.00 175.55 172.58 3hha s TRP 183 N -3.30 3.67 -0.33 -3.49 0.52 0.61 -1.16 118.94 115.47 3hha s TRP 183 Ca 0.01 0.87 -0.15 0.00 0.02 0.00 0.00 56.10 56.85 3hha s TRP 183 Cb 0.03 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 3hha s TRP 183 CO -0.08 0.60 0.35 -1.17 0.02 0.00 0.00 176.95 176.67 3hha s LEU 184 N -0.83 4.39 -0.12 2.99 2.96 -0.01 -0.73 118.68 127.32 3hha s LEU 184 Ca 0.22 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3hha s LEU 184 Cb -0.15 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.21 3hha s LEU 184 CO 0.11 -0.31 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.93 3hha s VAL 185 N 2.01 1.92 -0.17 1.68 1.01 -0.18 -0.69 120.40 125.98 3hha s VAL 185 Ca 0.12 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3hha s VAL 185 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3hha s VAL 185 CO 0.11 0.52 0.67 -0.75 0.00 0.00 0.00 175.10 175.66 3hha s LYS 186 N 0.75 4.27 0.54 2.72 2.20 0.55 -0.91 119.74 129.86 3hha s LYS 186 Ca -0.10 0.73 0.09 0.00 -0.36 0.00 0.00 55.97 56.33 3hha s LYS 186 Cb -0.16 -3.55 0.07 0.00 -1.51 0.00 0.00 37.83 32.68 3hha s LYS 186 CO 0.00 -0.19 0.75 1.21 -0.36 0.00 0.00 175.35 176.76 3hha s ASN 187 N 1.10 5.21 -0.31 1.43 3.84 -0.71 -2.26 114.94 123.25 3hha s ASN 187 Ca 0.32 -0.73 0.11 0.00 0.21 0.00 0.00 52.86 52.77 3hha s ASN 187 Cb -0.16 0.06 0.47 0.00 -0.55 0.00 0.00 41.25 41.07 3hha s ASN 187 CO 0.12 -1.22 1.15 -1.54 -2.79 0.00 0.00 177.10 172.82 3hha n SER 188 N -2.17 3.91 -0.69 -4.21 3.41 -1.26 -4.51 113.62 108.09 3hha n SER 188 Ca 0.14 -3.28 0.06 0.00 -0.26 0.00 0.00 58.87 55.53 3hha n SER 188 Cb 0.61 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.37 3hha n SER 188 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hha n TRP 189 N -0.61 0.64 -0.03 7.33 8.01 -1.20 -0.61 117.44 130.97 3hha n TRP 189 Ca 0.33 -1.10 0.00 0.00 -1.31 0.00 0.00 57.50 55.42 3hha n TRP 189 Cb 0.88 -0.30 -0.00 0.00 -2.01 0.00 0.00 31.31 29.88 3hha n TRP 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hha n GLY 190 N -0.94 -2.09 0.06 6.99 0.00 -0.54 -4.31 105.19 104.36 3hha n GLY 190 Ca 0.22 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.89 3hha n GLY 190 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hha n GLU 191 N -2.44 0.14 0.18 1.61 0.28 -1.26 -3.17 120.64 115.98 3hha n GLU 191 Ca -0.00 0.15 0.13 0.00 -0.16 0.00 0.00 57.16 57.28 3hha n GLU 191 Cb 0.01 -1.68 0.31 0.00 1.43 0.00 0.00 31.44 31.52 3hha n GLU 191 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3hha h GLU 192 N 0.00 0.00 -6.63 3.44 3.07 -1.88 -3.05 114.58 109.53 3hha h GLU 192 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3hha h GLU 192 Cb 0.59 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 3hha h GLU 192 CO 0.00 0.00 0.17 -0.46 -1.40 0.00 0.00 179.01 177.32 3hha s TRP 193 N -3.20 3.70 0.00 4.33 -0.00 -1.19 -4.91 118.94 117.66 3hha s TRP 193 Ca 0.08 1.51 0.00 0.00 -0.00 0.00 0.00 56.10 57.69 3hha s TRP 193 Cb 0.08 -2.71 0.00 0.00 -0.00 0.00 0.00 33.47 30.85 3hha s TRP 193 CO 0.62 0.33 0.00 0.41 -0.00 0.00 0.00 176.95 178.31 3hha n GLY 194 N 0.81 1.31 3.39 5.86 0.00 -1.12 -0.17 105.19 115.27 3hha n GLY 194 Ca -0.02 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.93 3hha n GLY 194 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hha s MET 195 N 0.00 4.01 -1.60 1.61 -2.45 0.01 -4.41 119.30 116.47 3hha s MET 195 Ca 0.00 -2.72 0.00 0.00 -1.25 0.00 0.00 55.69 51.72 3hha s MET 195 Cb 0.00 -4.75 0.00 0.00 1.25 0.00 0.00 34.83 31.33 3hha s MET 195 CO 0.00 -1.49 0.00 0.41 1.05 0.00 0.00 175.02 174.99 3hha n GLY 196 N 3.70 -0.40 0.83 2.11 0.00 -1.24 -1.90 105.19 108.30 3hha n GLY 196 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3hha n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hha n GLY 197 N -0.93 0.69 3.82 -0.02 0.00 0.75 -4.56 105.19 104.94 3hha n GLY 197 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3hha n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hha s TYR 198 N -2.48 3.14 0.00 1.61 1.51 -0.80 -1.73 117.35 118.60 3hha s TYR 198 Ca 0.00 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3hha s TYR 198 Cb 0.00 -1.45 -0.00 0.00 -0.11 0.00 0.00 41.96 40.39 3hha s TYR 198 CO 0.00 0.52 -0.03 0.54 -1.11 0.00 0.00 175.55 175.47 3hha s VAL 199 N -1.97 0.24 -0.33 0.71 0.11 -0.09 -0.81 120.40 118.27 3hha s VAL 199 Ca 0.32 -0.20 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 3hha s VAL 199 Cb -0.09 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 3hha s VAL 199 CO 0.24 0.03 0.53 -0.54 -3.33 0.00 0.00 175.10 172.03 3hha s LYS 200 N -0.19 3.71 -0.08 1.54 1.02 -1.26 -1.01 119.74 123.47 3hha s LYS 200 Ca 0.00 -0.04 -0.05 0.00 0.02 0.00 0.00 55.97 55.89 3hha s LYS 200 Cb -0.02 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 3hha s LYS 200 CO -0.00 -0.60 0.14 -1.64 -0.92 0.00 0.00 175.35 172.33 3hha s MET 201 N 2.42 3.40 0.05 1.68 -1.94 0.10 0.10 119.30 125.11 3hha s MET 201 Ca 0.20 -0.21 -0.36 0.00 -1.71 0.00 0.00 55.69 53.60 3hha s MET 201 Cb -0.15 -3.13 -0.15 0.00 2.01 0.00 0.00 34.83 33.41 3hha s MET 201 CO 0.13 0.74 1.50 0.00 -0.01 0.00 0.00 175.02 177.38 3hha n ALA 202 N 1.67 -0.03 -2.40 3.03 0.00 -0.54 -0.28 120.51 121.97 3hha n ALA 202 Ca -0.17 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 3hha n ALA 202 Cb 0.54 -2.21 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 3hha n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hha s LYS 203 N 1.26 2.04 -1.12 0.00 2.20 -0.87 -4.59 119.74 118.65 3hha s LYS 203 Ca 0.85 -0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 55.42 3hha s LYS 203 Cb -0.86 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 3hha s LYS 203 CO 0.47 0.54 0.73 -0.25 -0.36 0.00 0.00 175.35 176.48 3hha n ASP 204 N 1.87 -5.28 -2.50 1.43 8.00 -1.26 -4.58 116.55 114.23 3hha n ASP 204 Ca -0.16 -0.33 -0.27 0.00 0.71 0.00 0.00 54.79 54.73 3hha n ASP 204 Cb 0.52 -3.99 -0.00 0.00 -0.02 0.00 0.00 41.12 37.63 3hha n ASP 204 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hha n ARG 205 N -3.69 3.42 -3.57 -1.24 5.12 -1.26 -4.94 116.66 110.50 3hha n ARG 205 Ca -0.03 -4.52 -0.21 0.00 -1.93 0.00 0.00 57.85 51.16 3hha n ARG 205 Cb 0.57 -2.25 0.05 0.00 -1.16 0.00 0.00 32.46 29.67 3hha n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hha n ARG 206 N -0.47 -4.19 -3.06 5.56 5.12 -1.26 -3.54 116.66 114.82 3hha n ARG 206 Ca 0.39 0.68 -0.13 0.00 -1.93 0.00 0.00 57.85 56.86 3hha n ARG 206 Cb 0.65 -5.25 0.07 0.00 -1.16 0.00 0.00 32.46 26.76 3hha n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3hha n ASN 207 N -3.04 -2.51 -4.73 0.55 5.15 -1.26 -4.90 115.26 104.51 3hha n ASN 207 Ca -0.23 -0.48 -0.42 0.00 -0.60 0.00 0.00 54.58 52.85 3hha n ASN 207 Cb 0.65 -4.05 -0.02 0.00 -0.53 0.00 0.00 39.78 35.83 3hha n ASN 207 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 3hha n HIS 208 N -3.32 2.78 -1.22 1.20 -0.00 -1.23 -1.27 115.22 112.16 3hha n HIS 208 Ca -0.20 0.16 -0.08 0.00 -0.00 0.00 0.00 57.72 57.61 3hha n HIS 208 Cb 0.62 -2.63 -0.03 0.00 -0.00 0.00 0.00 29.99 27.95 3hha n HIS 208 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hha n GLY 210 N 0.44 0.72 0.27 0.00 0.00 -0.40 -0.89 105.19 105.33 3hha n GLY 210 Ca -0.08 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.28 3hha n GLY 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hha h ILE 211 N 0.00 0.86 -0.27 -0.61 2.10 -1.65 0.12 117.51 118.05 3hha h ILE 211 Ca -0.12 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3hha h ILE 211 Cb 0.50 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 3hha h ILE 211 CO 0.18 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.27 3hha n ALA 212 N -2.46 2.45 0.17 0.18 0.00 -1.26 -4.52 120.51 115.07 3hha n ALA 212 Ca -0.03 -0.83 0.06 0.00 0.00 0.00 0.00 53.44 52.65 3hha n ALA 212 Cb 0.11 -0.92 0.08 0.00 0.00 0.00 0.00 19.45 18.72 3hha n ALA 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hha h SER 213 N 3.99 0.00 -1.08 0.00 0.02 -1.25 -3.35 113.55 111.87 3hha h SER 213 Ca 0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 3hha h SER 213 Cb 0.87 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.11 3hha h SER 213 CO 0.00 0.31 -0.89 0.00 -1.14 0.00 0.00 176.83 175.11 3hha n ALA 214 N -2.18 1.26 -2.83 3.77 0.00 -1.26 -4.92 120.51 114.36 3hha n ALA 214 Ca 0.03 -2.59 -0.36 0.00 0.00 0.00 0.00 53.44 50.52 3hha n ALA 214 Cb 0.66 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 3hha n ALA 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hha s ALA 215 N -1.47 3.79 0.24 0.00 0.00 -1.26 -3.53 121.76 119.53 3hha s ALA 215 Ca 0.31 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.39 3hha s ALA 215 Cb 0.35 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.51 3hha s ALA 215 CO -0.06 0.49 0.70 -1.54 0.00 0.00 0.00 175.76 175.35 3hha s SER 216 N -0.62 -0.34 0.05 0.00 1.04 -0.15 -1.09 113.70 112.60 3hha s SER 216 Ca 0.13 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.98 3hha s SER 216 Cb -0.12 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3hha s SER 216 CO 0.02 -1.24 0.30 -0.72 0.98 0.00 0.00 173.24 172.58 3hha s TYR 217 N -3.85 -0.09 0.35 5.02 1.13 -0.79 -1.37 117.35 117.75 3hha s TYR 217 Ca 0.08 -0.09 -0.20 0.00 -1.41 0.00 0.00 57.07 55.45 3hha s TYR 217 Cb -0.05 0.09 -0.10 0.00 -1.10 0.00 0.00 41.96 40.81 3hha s TYR 217 CO 0.02 -0.52 0.85 -1.25 -2.51 0.00 0.00 175.55 172.14 3hha s PRO 218 N -2.75 4.24 -0.23 -3.49 0.04 -1.26 -1.00 135.00 130.55 3hha s PRO 218 Ca -0.04 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 3hha s PRO 218 Cb -0.00 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 3hha s PRO 218 CO -0.05 0.15 0.52 0.99 0.04 0.00 0.00 177.00 178.65 3hha s THR 219 N -1.91 5.08 -0.89 1.26 2.01 -0.20 -4.88 115.64 116.11 3hha s THR 219 Ca 0.54 0.92 0.07 0.00 0.31 0.00 0.00 61.69 63.54 3hha s THR 219 Cb -0.12 -3.84 0.06 0.00 0.01 0.00 0.00 72.50 68.60 3hha s THR 219 CO 0.18 0.13 0.73 1.33 -0.69 0.00 0.00 174.62 176.29