#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hha n PRO 2 N 0.00 0.52 0.18 0.00 -0.02 -1.26 -4.92 135.00 129.49 3hha n PRO 2 Ca 0.00 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3hha n PRO 2 Cb 0.00 -2.27 0.22 0.00 -0.02 0.00 0.00 33.50 31.43 3hha n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hha h ARG 3 N -0.26 0.00 -2.99 -0.52 2.47 -2.02 -3.45 114.38 107.61 3hha h ARG 3 Ca -0.47 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.12 3hha h ARG 3 Cb 1.33 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.43 3hha h ARG 3 CO 0.47 0.38 -0.30 -1.54 0.56 0.00 0.00 179.97 179.55 3hha s SER 4 N -6.38 -0.26 0.00 7.04 1.04 -1.26 -4.39 113.70 109.50 3hha s SER 4 Ca 0.02 0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.79 3hha s SER 4 Cb 0.09 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 3hha s SER 4 CO 0.70 -0.31 -0.03 -0.69 0.98 0.00 0.00 173.24 173.89 3hha s VAL 5 N -0.70 0.20 -0.32 5.02 1.01 -0.17 -4.95 120.40 120.48 3hha s VAL 5 Ca -0.08 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.69 3hha s VAL 5 Cb -0.04 -0.19 0.15 0.00 0.00 0.00 0.00 36.38 36.29 3hha s VAL 5 CO 0.03 -0.02 0.36 -0.62 0.00 0.00 0.00 175.10 174.84 3hha s ASP 6 N -0.27 1.15 0.22 3.32 -1.08 -1.26 -1.01 116.67 117.75 3hha s ASP 6 Ca -0.01 -0.98 0.20 0.00 -0.52 0.00 0.00 52.55 51.24 3hha s ASP 6 Cb -0.02 0.68 0.92 0.00 -1.46 0.00 0.00 42.92 43.04 3hha s ASP 6 CO -0.00 -0.33 1.62 0.79 0.52 0.00 0.00 175.17 177.77 3hha n TRP 7 N 4.92 0.63 -0.01 -5.34 7.02 0.09 -2.15 117.44 122.60 3hha n TRP 7 Ca 0.04 0.27 -0.00 0.00 -1.02 0.00 0.00 57.50 56.79 3hha n TRP 7 Cb 0.47 -0.94 0.30 0.00 -2.42 0.00 0.00 31.31 28.72 3hha n TRP 7 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hha h ARG 8 N 0.00 0.54 0.00 -0.99 3.08 -1.94 -1.89 114.38 113.18 3hha h ARG 8 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3hha h ARG 8 Cb 0.24 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hha h ARG 8 CO 0.00 0.55 0.00 0.93 -1.07 0.00 0.00 179.97 180.38 3hha h GLU 9 N 0.52 0.00 -0.10 0.04 5.08 -1.83 -2.81 114.58 115.48 3hha h GLU 9 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hha h GLU 9 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3hha h GLU 9 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3hha n LYS 10 N -2.43 2.30 -0.57 2.33 4.76 -0.73 -4.98 118.16 118.84 3hha n LYS 10 Ca 0.02 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 3hha n LYS 10 Cb 0.27 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 1.35 0.67 0.11 0.72 0.00 -1.06 -4.98 105.19 102.00 3hha n GLY 11 Ca 0.15 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.57 0.00 -4.31 1.61 4.02 -1.09 -4.79 117.16 110.04 3hha n TYR 12 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 3hha n TYR 12 Cb 0.00 -0.21 -0.17 0.00 -0.02 0.00 0.00 39.34 38.94 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 -2.74 0.88 0.79 -0.72 1.01 -1.26 -3.56 120.40 114.80 3hha s VAL 13 Ca 0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 3hha s VAL 13 Cb 0.19 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.77 3hha s VAL 13 CO 0.58 0.31 1.12 0.42 0.00 0.00 0.00 175.10 177.53 3hha s THR 14 N 0.96 2.83 0.96 3.92 -4.23 -1.26 -4.98 115.64 113.84 3hha s THR 14 Ca -0.10 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 3hha s THR 14 Cb -0.15 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.69 3hha s THR 14 CO 0.00 -0.35 0.99 -2.65 -0.54 0.00 0.00 174.62 172.08 3hha n PRO 15 N -3.32 -0.73 -1.94 3.99 -0.02 -1.26 -4.93 135.00 126.79 3hha n PRO 15 Ca 0.07 -0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 3hha n PRO 15 Cb 0.58 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.78 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 -2.56 2.46 0.49 -1.45 1.01 -1.26 -5.03 120.40 114.06 3hha s VAL 16 Ca 0.65 0.40 0.06 0.00 0.00 0.00 0.00 61.98 63.10 3hha s VAL 16 Cb -0.23 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3hha s VAL 16 CO 0.61 0.07 0.34 -0.54 0.00 0.00 0.00 175.10 175.58 3hha s LYS 17 N -0.65 2.30 -0.16 2.72 1.02 -1.26 -4.76 119.74 118.96 3hha s LYS 17 Ca 0.59 -1.90 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 3hha s LYS 17 Cb -0.44 -2.11 0.05 0.00 -0.52 0.00 0.00 37.83 34.81 3hha s LYS 17 CO 0.47 -0.42 0.01 1.21 -0.92 0.00 0.00 175.35 175.70 3hha s ASN 18 N -4.16 2.57 0.09 2.83 3.84 -1.26 -1.63 114.94 117.22 3hha s ASN 18 Ca 0.37 -0.62 0.18 0.00 0.21 0.00 0.00 52.86 53.00 3hha s ASN 18 Cb -0.01 -0.60 0.74 0.00 -0.55 0.00 0.00 41.25 40.83 3hha s ASN 18 CO 0.22 -0.26 1.55 0.00 -2.79 0.00 0.00 177.10 175.82 3hha n GLN 19 N 5.05 0.07 0.00 0.43 10.64 0.25 -4.94 117.38 128.88 3hha n GLN 19 Ca -0.09 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 3hha n GLN 19 Cb 0.48 -1.63 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 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 0.01 1.24 1.26 2.61 0.00 -1.26 -3.36 105.19 105.67 3hha n GLY 20 Ca 0.03 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 6.04 2.68 -2.99 1.61 1.13 -1.26 -4.91 117.38 119.69 3hha n GLN 21 Ca 0.00 -2.40 -0.39 0.00 -1.94 0.00 0.00 57.00 52.27 3hha n GLN 21 Cb 0.00 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 28.72 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 1.66 3.17 1.37 0.00 0.00 -0.43 -4.49 105.19 106.48 3hha n GLY 23 Ca -0.06 -1.23 0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 2.71 4.48 -0.35 1.61 3.41 -1.26 -3.22 113.62 121.00 3hha n SER 24 Ca 0.48 -3.08 0.14 0.00 -0.26 0.00 0.00 58.87 56.15 3hha n SER 24 Cb 0.78 -0.62 0.34 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.73 0.63 -0.10 0.00 5.08 -1.83 0.56 115.95 121.01 3hha h TRP 26 Ca 0.59 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 60.37 3hha h TRP 26 Cb 0.96 -0.20 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3hha h TRP 26 CO -0.00 0.29 -0.79 0.00 -1.28 0.00 0.00 178.44 176.66 3hha h ALA 27 N 1.64 0.41 -0.44 0.11 0.00 -1.23 -1.56 119.26 118.20 3hha h ALA 27 Ca 0.33 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3hha h ALA 27 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hha h ALA 27 CO -0.11 0.72 -0.14 0.74 0.00 0.00 0.00 179.25 180.46 3hha h PHE 28 N 0.41 0.99 -0.67 0.00 -1.00 -1.20 -0.50 116.94 114.97 3hha h PHE 28 Ca -0.05 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.51 3hha h PHE 28 Cb 1.40 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.69 3hha h PHE 28 CO 0.07 0.99 0.44 1.03 -1.61 0.00 0.00 178.31 179.23 3hha h SER 29 N 0.70 0.75 -0.24 2.17 0.87 -0.91 -1.03 113.55 115.86 3hha h SER 29 Ca 0.11 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 3hha h SER 29 Cb 0.69 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3hha h SER 29 CO 0.05 0.54 -0.23 0.00 -0.53 0.00 0.00 176.83 176.66 3hha h ALA 30 N 1.25 0.35 -0.67 6.23 0.00 -1.09 -1.89 119.26 123.44 3hha h ALA 30 Ca 0.25 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hha h ALA 30 Cb -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hha h ALA 30 CO -0.06 0.31 0.30 1.79 0.00 0.00 0.00 179.25 181.59 3hha h THR 31 N 0.28 1.22 -0.42 0.00 1.35 -1.05 -0.75 112.91 113.53 3hha h THR 31 Ca 0.04 -0.66 0.01 0.00 -0.55 0.00 0.00 66.41 65.26 3hha h THR 31 Cb 0.79 0.38 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 3hha h THR 31 CO 0.06 0.27 0.26 1.23 -0.25 0.00 0.00 175.52 177.09 3hha h GLY 32 N 1.03 0.60 1.05 5.82 0.00 -0.94 0.25 103.07 110.87 3hha h GLY 32 Ca 0.23 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 3hha h GLY 32 CO -0.03 0.19 -0.23 0.00 0.00 0.00 0.00 176.54 176.47 3hha h ALA 33 N 1.18 0.57 -0.63 3.60 0.00 -1.00 -2.46 119.26 120.53 3hha h ALA 33 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3hha h ALA 33 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hha h ALA 33 CO -0.06 0.56 0.24 -0.07 0.00 0.00 0.00 179.25 179.92 3hha h LEU 34 N 0.69 0.88 -0.76 0.00 3.38 -0.98 -1.85 115.31 116.67 3hha h LEU 34 Ca 0.09 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3hha h LEU 34 Cb 0.80 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3hha h LEU 34 CO 0.07 0.82 0.41 -0.33 0.09 0.00 0.00 178.44 179.50 3hha h GLU 35 N 0.88 0.69 -0.30 1.13 5.08 -0.38 0.22 114.58 121.90 3hha h GLU 35 Ca 0.21 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3hha h GLU 35 Cb 0.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hha h GLU 35 CO -0.01 0.45 -0.08 0.78 -1.00 0.00 0.00 179.01 179.15 3hha h GLY 36 N 0.71 0.62 1.69 -3.84 0.00 -1.15 -1.69 103.07 99.41 3hha h GLY 36 Ca 0.37 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3hha h GLY 36 CO -0.24 0.47 -0.66 1.46 0.00 0.00 0.00 176.54 177.57 3hha h GLN 37 N 0.34 0.31 -0.56 4.80 1.08 -0.71 -0.67 115.11 119.70 3hha h GLN 37 Ca 0.07 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.02 3hha h GLN 37 Cb 0.56 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 3hha h GLN 37 CO 0.03 0.86 0.26 0.52 -0.95 0.00 0.00 178.83 179.55 3hha h MET 38 N 0.22 0.81 -0.67 1.46 2.86 -0.59 -1.94 114.93 117.08 3hha h MET 38 Ca -0.01 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3hha h MET 38 Cb 1.20 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 3hha h MET 38 CO 0.11 0.67 0.37 0.35 1.06 0.00 0.00 176.91 179.47 3hha h PHE 39 N 0.76 0.92 -0.98 -0.22 3.57 -0.99 0.27 116.94 120.28 3hha h PHE 39 Ca 0.19 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.77 3hha h PHE 39 Cb 0.13 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 3hha h PHE 39 CO -0.00 0.65 0.62 -0.09 -2.23 0.00 0.00 178.31 177.27 3hha h ARG 40 N 0.92 0.99 0.01 1.11 2.43 -0.94 0.14 114.38 119.04 3hha h ARG 40 Ca 0.24 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 3hha h ARG 40 Cb 0.04 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3hha h ARG 40 CO -0.04 0.65 -0.24 -0.22 -1.51 0.00 0.00 179.97 178.61 3hha h LYS 41 N 1.02 0.15 0.00 0.20 3.64 -0.68 -3.40 116.57 117.49 3hha h LYS 41 Ca 0.46 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3hha h LYS 41 Cb 0.39 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3hha h LYS 41 CO -0.22 0.95 -1.09 0.25 -2.27 0.00 0.00 179.45 177.07 3hha n THR 42 N -4.50 0.00 -1.16 1.00 -2.24 0.02 -4.99 114.28 102.41 3hha n THR 42 Ca -0.10 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 3hha n THR 42 Cb 0.52 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 1.51 0.75 3.17 3.38 0.00 0.49 -5.02 105.19 109.48 3hha n GLY 43 Ca 0.00 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.99 3.03 -0.33 1.61 0.52 -1.26 -5.03 118.95 115.51 3hha s ARG 44 Ca 0.00 -0.85 -0.17 0.00 -0.52 0.00 0.00 55.73 54.20 3hha s ARG 44 Cb 0.00 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 33.00 3hha s ARG 44 CO 0.00 -0.02 0.44 -1.17 0.02 0.00 0.00 175.30 174.57 3hha s LEU 45 N 0.84 4.30 -0.10 2.53 2.96 -1.26 -3.86 118.68 124.09 3hha s LEU 45 Ca -0.06 0.00 -0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3hha s LEU 45 Cb -0.15 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.08 3hha s LEU 45 CO -0.02 -0.37 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.94 3hha s ILE 46 N 2.21 0.88 0.22 6.68 1.01 -1.26 -5.11 121.20 125.84 3hha s ILE 46 Ca 0.16 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 3hha s ILE 46 Cb -0.16 -0.91 -0.11 0.00 0.01 0.00 0.00 42.46 41.29 3hha s ILE 46 CO 0.12 0.34 1.56 -0.55 0.00 0.00 0.00 174.94 176.40 3hha s SER 47 N 1.59 6.53 0.25 3.58 0.15 -1.26 -4.84 113.70 119.71 3hha s SER 47 Ca 0.02 2.74 0.07 0.00 0.70 0.00 0.00 55.95 59.48 3hha s SER 47 Cb -0.13 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.53 3hha s SER 47 CO -0.06 -0.83 0.18 -0.76 1.20 0.00 0.00 173.24 172.98 3hha s LEU 48 N 0.34 3.77 -0.52 3.45 1.43 -1.26 -0.62 118.68 125.27 3hha s LEU 48 Ca 0.66 -0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.23 3hha s LEU 48 Cb -0.45 -2.30 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3hha s LEU 48 CO 0.38 -0.04 0.95 -0.55 0.23 0.00 0.00 176.35 177.33 3hha s SER 49 N -3.83 6.40 0.27 2.29 0.15 -0.57 -4.03 113.70 114.38 3hha s SER 49 Ca 0.33 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.80 3hha s SER 49 Cb -0.08 -2.45 0.37 0.00 -1.71 0.00 0.00 66.02 62.16 3hha s SER 49 CO 0.25 -1.18 1.76 -0.33 1.20 0.00 0.00 173.24 174.94 3hha h GLU 50 N 9.24 0.71 -0.90 5.44 3.07 -1.87 -3.03 114.58 127.25 3hha h GLU 50 Ca -0.25 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.42 3hha h GLU 50 Cb 1.07 -0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 28.86 3hha h GLU 50 CO 1.07 0.76 0.60 0.37 -1.40 0.00 0.00 179.01 180.41 3hha h GLN 51 N 0.66 1.17 -0.78 2.33 5.75 -1.84 -0.33 115.11 122.08 3hha h GLN 51 Ca 0.13 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3hha h GLN 51 Cb 0.48 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.71 3hha h GLN 51 CO 0.02 0.78 0.48 -0.97 -2.65 0.00 0.00 178.83 176.49 3hha h ASN 52 N 1.21 0.75 -0.28 -0.69 -0.73 -1.78 0.10 115.58 114.16 3hha h ASN 52 Ca 0.33 0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.43 3hha h ASN 52 Cb -0.12 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 3hha h ASN 52 CO -0.08 0.49 -0.16 -0.07 -0.37 0.00 0.00 177.43 177.24 3hha h LEU 53 N 0.88 0.63 -0.50 0.34 3.38 -1.23 -1.91 115.31 116.90 3hha h LEU 53 Ca 0.34 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hha h LEU 53 Cb 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3hha h LEU 53 CO -0.16 0.91 0.28 0.58 0.09 0.00 0.00 178.44 180.14 3hha h VAL 54 N 0.35 1.01 0.00 1.22 2.07 -0.72 -2.33 116.25 117.85 3hha h VAL 54 Ca 0.06 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3hha h VAL 54 Cb 0.68 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3hha h VAL 54 CO 0.05 0.10 -0.53 0.44 0.02 0.00 0.00 177.57 177.64 3hha h ASP 55 N 0.55 0.00 0.00 0.57 3.32 -0.99 -3.39 116.42 116.48 3hha h ASP 55 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3hha h ASP 55 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3hha h ASP 55 CO -0.12 0.53 -1.02 0.00 -1.72 0.00 0.00 179.24 176.92 3hha n SER 57 N -1.54 4.38 -0.24 0.00 3.41 -0.89 -4.34 113.62 114.40 3hha n SER 57 Ca -0.00 -2.60 0.03 0.00 -0.26 0.00 0.00 58.87 56.04 3hha n SER 57 Cb 0.09 -0.60 0.15 0.00 -0.26 0.00 0.00 64.21 63.59 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 4.34 1.02 1.97 5.00 0.00 -1.82 -2.50 103.07 111.08 3hha h GLY 58 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hha h GLY 58 CO 0.32 -0.06 0.01 -2.55 0.00 0.00 0.00 176.54 174.26 3hha h PRO 59 N 0.44 0.00 -0.00 4.80 0.11 -1.86 0.49 132.00 135.98 3hha h PRO 59 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3hha h PRO 59 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3hha h PRO 59 CO -0.36 0.00 -0.11 1.04 -0.21 0.00 0.00 178.00 178.36 3hha n GLN 60 N -3.87 0.34 0.00 1.05 3.00 -0.96 -4.91 117.38 112.02 3hha n GLN 60 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 3hha n GLN 60 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 1.37 1.18 3.82 1.08 0.00 0.16 -4.83 105.19 107.97 3hha n GLY 61 Ca 0.11 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 -1.08 5.78 -0.19 1.61 0.01 -1.07 -4.91 114.94 115.08 3hha s ASN 62 Ca 0.00 1.69 0.16 0.00 -0.71 0.00 0.00 52.86 54.00 3hha s ASN 62 Cb 0.00 -2.51 0.45 0.00 0.41 0.00 0.00 41.25 39.60 3hha s ASN 62 CO 0.00 -1.17 1.18 -0.62 -1.51 0.00 0.00 177.10 174.98 3hha n GLU 63 N -2.38 1.79 0.00 -0.60 1.02 0.21 -4.00 120.64 116.68 3hha n GLU 63 Ca 0.08 -3.28 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 3hha n GLU 63 Cb 0.53 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.52 3.39 0.00 0.62 0.00 -1.21 -1.10 105.19 106.37 3hha n GLY 64 Ca 0.20 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.20 2.96 0.00 0.00 5.03 -0.26 -1.32 115.26 120.47 3hha n ASN 66 Ca 0.12 -1.92 0.00 0.00 0.87 0.00 0.00 54.58 53.65 3hha n ASN 66 Cb 0.14 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 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 1.40 2.20 4.02 7.41 0.00 -1.08 -4.90 105.19 114.24 3hha n GLY 67 Ca 0.18 -2.18 0.04 0.00 0.00 0.00 0.00 46.02 44.07 3hha n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hha s GLY 68 N 0.00 -0.20 -0.01 -0.02 0.00 -1.26 -0.62 107.32 105.21 3hha s GLY 68 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.92 3hha s GLY 68 CO 0.00 6.51 -0.17 1.08 0.00 0.00 0.00 173.10 180.52 3hha s LEU 69 N -3.91 2.04 0.26 0.66 1.43 -1.26 -4.77 118.68 113.12 3hha s LEU 69 Ca 0.31 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3hha s LEU 69 Cb 0.00 -0.88 0.32 0.00 0.03 0.00 0.00 46.19 45.67 3hha s LEU 69 CO -0.02 0.21 1.92 0.24 0.23 0.00 0.00 176.35 178.92 3hha h MET 70 N 5.70 1.25 -0.39 1.70 2.86 -1.98 -2.41 114.93 121.66 3hha h MET 70 Ca -0.37 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.15 3hha h MET 70 Cb 1.15 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 3hha h MET 70 CO 0.48 0.83 0.05 -0.44 1.06 0.00 0.00 176.91 178.89 3hha h ASP 71 N 1.29 0.56 -0.35 1.22 3.32 -1.96 -0.41 116.42 120.09 3hha h ASP 71 Ca 0.38 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 3hha h ASP 71 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3hha h ASP 71 CO -0.11 0.60 -0.05 1.88 -1.72 0.00 0.00 179.24 179.84 3hha h TYR 72 N 0.58 0.82 -0.56 4.55 0.05 -1.79 -0.59 116.97 120.02 3hha h TYR 72 Ca 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3hha h TYR 72 Cb 0.30 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3hha h TYR 72 CO 0.01 0.79 0.23 0.00 -1.05 0.00 0.00 178.16 178.15 3hha h ALA 73 N 1.24 0.73 -0.57 3.88 0.00 -0.79 -0.19 119.26 123.56 3hha h ALA 73 Ca 0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hha h ALA 73 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hha h ALA 73 CO 0.03 0.33 0.02 0.74 0.00 0.00 0.00 179.25 180.37 3hha h PHE 74 N 0.77 1.04 -0.60 0.00 0.04 -0.88 -1.78 116.94 115.54 3hha h PHE 74 Ca 0.19 -0.16 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3hha h PHE 74 Cb 0.18 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 3hha h PHE 74 CO 0.01 0.92 0.28 0.37 -0.60 0.00 0.00 178.31 179.29 3hha h GLN 75 N 0.89 0.86 -0.33 1.51 5.75 -0.93 -2.24 115.11 120.63 3hha h GLN 75 Ca 0.17 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3hha h GLN 75 Cb 0.49 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 3hha h GLN 75 CO 0.02 0.70 0.08 -0.92 -2.65 0.00 0.00 178.83 176.07 3hha h TYR 76 N 0.82 0.14 -0.83 3.99 3.20 -0.58 0.14 116.97 123.85 3hha h TYR 76 Ca 0.20 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.11 3hha h TYR 76 Cb 0.13 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3hha h TYR 76 CO 0.00 0.04 0.54 0.28 -1.64 0.00 0.00 178.16 177.38 3hha h VAL 77 N 0.20 1.19 0.15 1.81 2.07 -1.04 0.36 116.25 120.99 3hha h VAL 77 Ca 0.15 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hha h VAL 77 Cb 0.15 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3hha h VAL 77 CO -0.19 0.20 -0.07 -0.61 0.02 0.00 0.00 177.57 176.92 3hha h GLN 78 N 1.09 -0.19 -0.86 1.57 4.15 -1.13 -1.65 115.11 118.10 3hha h GLN 78 Ca 0.31 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.75 3hha h GLN 78 Cb -0.09 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 3hha h GLN 78 CO -0.08 0.05 0.54 -0.44 -1.93 0.00 0.00 178.83 176.98 3hha h ASP 79 N -0.42 1.01 1.77 -0.69 3.32 -0.28 -2.79 116.42 118.34 3hha h ASP 79 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3hha h ASP 79 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3hha h ASP 79 CO 0.03 0.75 0.00 -1.13 -1.72 0.00 0.00 179.24 177.17 3hha h ASN 80 N 1.17 0.00 -0.43 6.45 -1.24 -0.32 -3.47 115.58 117.74 3hha h ASN 80 Ca 0.31 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.19 3hha h ASN 80 Cb -0.09 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 3hha h ASN 80 CO -0.06 0.00 -0.13 0.61 -1.29 0.00 0.00 177.43 176.56 3hha n GLY 81 N 1.16 0.70 0.00 1.57 0.00 -0.69 -4.96 105.19 102.97 3hha n GLY 81 Ca 0.05 -0.74 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 -1.96 0.37 3.37 -0.02 0.00 -0.82 -4.95 105.19 101.18 3hha n GLY 82 Ca -0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.27 0.65 0.99 2.96 -1.02 -4.63 118.68 117.35 3hha s LEU 83 Ca 0.00 1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 54.82 3hha s LEU 83 Cb 0.00 1.62 -0.01 0.00 0.50 0.00 0.00 46.19 48.30 3hha s LEU 83 CO 0.00 -0.20 1.06 -1.81 -1.32 0.00 0.00 176.35 174.08 3hha s ASP 84 N 1.36 5.53 0.63 3.68 1.01 -1.26 -1.24 116.67 126.38 3hha s ASP 84 Ca -0.09 1.73 -0.16 0.00 0.71 0.00 0.00 52.55 54.74 3hha s ASP 84 Cb -0.07 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3hha s ASP 84 CO -0.13 -1.34 1.11 -0.94 0.21 0.00 0.00 175.17 174.08 3hha s SER 85 N -3.25 5.31 0.24 0.27 1.04 -1.13 -1.51 113.70 114.67 3hha s SER 85 Ca 0.61 2.03 -0.05 0.00 0.48 0.00 0.00 55.95 59.02 3hha s SER 85 Cb -0.15 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 63.80 3hha s SER 85 CO 0.46 -1.49 1.78 -0.08 0.98 0.00 0.00 173.24 174.89 3hha h GLU 86 N 0.35 0.63 -0.64 4.02 4.57 -1.00 -1.96 114.58 120.56 3hha h GLU 86 Ca -0.48 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 3hha h GLU 86 Cb 1.25 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 3hha h GLU 86 CO 0.55 0.42 0.42 1.49 -1.18 0.00 0.00 179.01 180.71 3hha h GLU 87 N 0.65 0.84 0.00 1.92 4.81 -1.93 -2.77 114.58 118.10 3hha h GLU 87 Ca 0.38 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 3hha h GLU 87 Cb 0.42 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3hha h GLU 87 CO -0.28 0.56 -0.11 0.66 -0.73 0.00 0.00 179.01 179.10 3hha h SER 88 N 0.86 0.00 -1.56 1.04 4.64 -1.81 -3.39 113.55 113.34 3hha h SER 88 Ca 0.23 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 61.10 3hha h SER 88 Cb -0.10 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.68 3hha h SER 88 CO -0.05 0.11 -0.88 0.00 -0.87 0.00 0.00 176.83 175.14 3hha n TYR 89 N -3.16 -1.52 -1.21 4.77 -0.00 -0.78 -4.99 117.16 110.26 3hha n TYR 89 Ca 0.02 -2.88 -0.32 0.00 -0.00 0.00 0.00 57.90 54.73 3hha n TYR 89 Cb 0.49 0.40 0.11 0.00 -0.00 0.00 0.00 39.34 40.34 3hha n TYR 89 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3hha s PRO 90 N -0.26 1.93 0.05 2.98 0.02 -1.07 -4.48 135.00 134.17 3hha s PRO 90 Ca 0.33 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.53 3hha s PRO 90 Cb 0.13 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.77 3hha s PRO 90 CO -0.15 -1.94 1.01 -0.47 -0.33 0.00 0.00 177.00 175.12 3hha s TYR 91 N -2.50 3.67 -0.23 6.54 5.04 -1.26 -4.69 117.35 123.92 3hha s TYR 91 Ca 0.67 1.68 0.06 0.00 -2.44 0.00 0.00 57.07 57.04 3hha s TYR 91 Cb -0.22 -3.15 -0.07 0.00 0.35 0.00 0.00 41.96 38.87 3hha s TYR 91 CO 0.52 -0.13 0.23 0.39 -1.34 0.00 0.00 175.55 175.22 3hha n GLU 92 N 3.48 3.87 -2.29 4.97 -0.58 -1.26 -5.03 120.64 123.80 3hha n GLU 92 Ca 0.05 -0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.58 3hha n GLU 92 Cb 0.50 -0.87 -0.02 0.00 -0.57 0.00 0.00 31.44 30.47 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 -1.28 -0.56 -3.48 0.62 0.00 -1.26 -4.98 120.51 109.57 3hha n ALA 93 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.47 3hha n ALA 93 Cb 0.11 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 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 -2.98 0.01 -0.03 0.00 -1.32 -1.26 -4.47 115.64 105.59 3hha s THR 94 Ca 0.00 -0.08 -0.29 0.00 -1.21 0.00 0.00 61.69 60.12 3hha s THR 94 Cb 0.00 -0.91 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 3hha s THR 94 CO 0.00 -0.04 0.93 -0.70 -2.21 0.00 0.00 174.62 172.60 3hha s GLU 95 N -0.82 4.51 0.39 7.08 2.12 -1.26 -4.97 118.70 125.75 3hha s GLU 95 Ca -0.09 1.31 0.04 0.00 0.36 0.00 0.00 54.97 56.59 3hha s GLU 95 Cb -0.02 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3hha s GLU 95 CO 0.07 -0.08 0.11 -1.21 -0.54 0.00 0.00 175.26 173.61 3hha s GLU 96 N 1.16 1.85 0.65 4.30 0.41 -1.26 -5.07 118.70 120.74 3hha s GLU 96 Ca 0.48 -2.10 -0.17 0.00 -0.41 0.00 0.00 54.97 52.77 3hha s GLU 96 Cb -0.20 -0.68 -0.00 0.00 -1.78 0.00 0.00 34.13 31.47 3hha s GLU 96 CO 0.24 -0.40 1.19 -1.54 -0.49 0.00 0.00 175.26 174.27 3hha s SER 97 N -3.57 4.81 0.14 -0.19 1.04 -1.26 -4.50 113.70 110.16 3hha s SER 97 Ca 0.27 2.32 -0.34 0.00 0.48 0.00 0.00 55.95 58.68 3hha s SER 97 Cb 0.04 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.43 3hha s SER 97 CO 0.14 -1.85 1.57 0.00 0.98 0.00 0.00 173.24 174.08 3hha n LYS 99 N 3.49 0.94 -1.65 0.00 5.02 -1.26 -5.08 118.16 119.61 3hha n LYS 99 Ca 0.17 -2.41 -0.46 0.00 -2.02 0.00 0.00 58.31 53.60 3hha n LYS 99 Cb 0.28 -1.12 -0.03 0.00 -0.02 0.00 0.00 35.03 34.13 3hha n LYS 99 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3hha n TYR 100 N -0.79 1.98 -3.84 2.13 9.36 -1.26 -4.99 117.16 119.76 3hha n TYR 100 Ca 0.12 0.48 -0.27 0.00 3.32 0.00 0.00 57.90 61.55 3hha n TYR 100 Cb 0.74 -2.43 -0.17 0.00 -0.63 0.00 0.00 39.34 36.86 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 0.27 2.59 0.57 2.98 3.84 -1.26 -5.03 114.94 118.89 3hha s ASN 101 Ca 0.70 -0.57 0.32 0.00 0.21 0.00 0.00 52.86 53.51 3hha s ASN 101 Cb -0.70 -0.76 1.70 0.00 -0.55 0.00 0.00 41.25 40.95 3hha s ASN 101 CO 0.49 -0.21 2.16 1.55 -2.79 0.00 0.00 177.10 178.31 3hha h PRO 102 N 8.18 0.00 -0.16 0.43 0.13 -1.98 -1.94 132.00 136.66 3hha h PRO 102 Ca -0.22 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.96 3hha h PRO 102 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3hha h PRO 102 CO 0.36 0.06 0.12 -0.22 -0.23 0.00 0.00 178.00 178.09 3hha h LYS 103 N 0.00 0.00 -0.55 0.86 3.64 -2.02 -2.18 116.57 116.32 3hha h LYS 103 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hha h LYS 103 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3hha h LYS 103 CO 0.01 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 3hha n TYR 104 N -4.45 1.13 -2.26 1.91 4.01 -0.73 -4.97 117.16 111.79 3hha n TYR 104 Ca 0.01 -0.60 -0.41 0.00 -0.16 0.00 0.00 57.90 56.73 3hha n TYR 104 Cb 0.25 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.07 6.94 0.00 7.72 0.15 -0.82 -2.82 113.70 123.79 3hha s SER 105 Ca 0.44 2.34 0.00 0.00 0.70 0.00 0.00 55.95 59.42 3hha s SER 105 Cb 0.28 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3hha s SER 105 CO 0.22 -0.50 0.39 1.33 1.20 0.00 0.00 173.24 175.88 3hha n VAL 106 N 2.78 0.13 -3.94 4.45 0.24 -0.37 -4.93 118.33 116.69 3hha n VAL 106 Ca 0.06 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 3hha n VAL 106 Cb 0.43 1.29 -0.10 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.13 -0.01 0.09 2.33 0.00 -1.20 -5.02 121.76 117.82 3hha s ALA 107 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 3hha s ALA 107 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3hha s ALA 107 CO 0.00 -0.31 0.17 -0.80 0.00 0.00 0.00 175.76 174.82 3hha s ASN 108 N -2.11 0.16 0.08 0.00 0.01 -1.26 -2.44 114.94 109.38 3hha s ASN 108 Ca -0.05 -0.73 -0.09 0.00 -0.71 0.00 0.00 52.86 51.28 3hha s ASN 108 Cb -0.01 0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.98 3hha s ASN 108 CO -0.05 -0.73 0.20 1.51 -1.51 0.00 0.00 177.10 176.53 3hha s ASP 109 N -2.88 0.09 -0.21 -1.22 1.47 -1.26 -4.77 116.67 107.89 3hha s ASP 109 Ca 0.07 -0.59 0.13 0.00 1.18 0.00 0.00 52.55 53.35 3hha s ASP 109 Cb 0.05 0.34 0.45 0.00 -0.34 0.00 0.00 42.92 43.41 3hha s ASP 109 CO -0.10 -0.70 1.34 0.00 0.68 0.00 0.00 175.17 176.38 3hha n ALA 110 N 0.06 3.40 0.00 2.11 0.00 0.12 -4.06 120.51 122.14 3hha n ALA 110 Ca -0.16 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.42 3hha n ALA 110 Cb 0.62 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.05 0.55 3.62 0.00 0.00 -1.25 -4.88 105.19 102.18 3hha n GLY 111 Ca 0.24 -2.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.62 -0.23 -0.10 1.61 -0.71 -1.26 -0.87 117.98 115.79 3hha s PHE 112 Ca 0.00 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3hha s PHE 112 Cb 0.00 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.37 3hha s PHE 112 CO 0.00 -1.02 -0.17 0.08 -1.34 0.00 0.00 175.22 172.77 3hha s VAL 113 N -3.86 1.61 -0.16 -2.49 1.01 -0.12 -4.86 120.40 111.53 3hha s VAL 113 Ca 0.08 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 3hha s VAL 113 Cb -0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3hha s VAL 113 CO -0.01 0.46 0.43 -1.81 0.00 0.00 0.00 175.10 174.17 3hha s ASP 114 N 0.80 6.55 0.11 3.32 1.01 -1.26 -1.84 116.67 125.36 3hha s ASP 114 Ca -0.10 0.65 -0.23 0.00 0.71 0.00 0.00 52.55 53.58 3hha s ASP 114 Cb -0.16 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 3hha s ASP 114 CO 0.01 -0.04 0.69 -0.63 0.21 0.00 0.00 175.17 175.41 3hha s ILE 115 N 0.99 4.57 0.57 0.77 1.01 -0.46 -5.01 121.20 123.63 3hha s ILE 115 Ca 0.22 1.50 -0.19 0.00 0.00 0.00 0.00 60.65 62.18 3hha s ILE 115 Cb -0.15 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.21 3hha s ILE 115 CO 0.08 0.51 0.77 -2.65 0.00 0.00 0.00 174.94 173.66 3hha n PRO 116 N 1.83 0.76 -1.59 2.79 -0.02 -1.26 -4.63 135.00 132.88 3hha n PRO 116 Ca -0.07 0.29 -0.40 0.00 -2.02 0.00 0.00 63.50 61.30 3hha n PRO 116 Cb 0.50 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.48 3.47 -3.78 -0.52 5.02 -1.26 -4.58 118.16 116.02 3hha n LYS 117 Ca 0.12 -2.54 -0.13 0.00 -2.02 0.00 0.00 58.31 53.75 3hha n LYS 117 Cb 0.46 -2.97 -0.12 0.00 -0.02 0.00 0.00 35.03 32.38 3hha n LYS 117 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hha s GLN 118 N 2.14 0.26 0.43 1.97 -0.21 -1.26 -4.87 119.66 118.13 3hha s GLN 118 Ca 0.58 0.35 0.12 0.00 0.02 0.00 0.00 55.36 56.43 3hha s GLN 118 Cb 0.16 0.10 0.95 0.00 1.00 0.00 0.00 33.01 35.22 3hha s GLN 118 CO -0.07 -0.05 2.00 0.93 -2.12 0.00 0.00 175.29 175.98 3hha h GLU 119 N 5.96 0.15 -0.78 2.91 5.08 -1.89 -1.25 114.58 124.76 3hha h GLU 119 Ca -0.28 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3hha h GLU 119 Cb 1.19 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3hha h GLU 119 CO 0.36 0.24 0.37 -0.22 -1.00 0.00 0.00 179.01 178.77 3hha h LYS 120 N 0.15 1.13 -0.37 2.33 3.64 -1.96 0.08 116.57 121.56 3hha h LYS 120 Ca 0.03 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.09 3hha h LYS 120 Cb 0.24 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3hha h LYS 120 CO 0.01 0.88 -0.39 0.00 -2.27 0.00 0.00 179.45 177.68 3hha h ALA 121 N 1.19 0.62 -0.69 5.00 0.00 -1.65 -2.13 119.26 121.60 3hha h ALA 121 Ca 0.27 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hha h ALA 121 Cb 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hha h ALA 121 CO -0.03 0.67 0.41 1.25 0.00 0.00 0.00 179.25 181.55 3hha h LEU 122 N 0.72 0.84 -0.56 0.00 5.85 -1.05 -1.38 115.31 119.74 3hha h LEU 122 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hha h LEU 122 Cb 0.97 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3hha h LEU 122 CO 0.09 0.67 0.36 -0.03 -0.34 0.00 0.00 178.44 179.19 3hha h MET 123 N 0.94 0.71 -0.87 1.25 4.05 -0.82 0.32 114.93 120.52 3hha h MET 123 Ca 0.25 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.60 3hha h MET 123 Cb -0.01 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 3hha h MET 123 CO -0.04 0.47 0.44 0.87 0.23 0.00 0.00 176.91 178.88 3hha h LYS 124 N 0.73 1.23 -0.14 0.39 1.57 -1.07 -0.03 116.57 119.25 3hha h LYS 124 Ca 0.21 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hha h LYS 124 Cb -0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.02 3hha h LYS 124 CO -0.06 0.93 0.03 0.00 -0.57 0.00 0.00 179.45 179.77 3hha h ALA 125 N 1.24 0.19 -0.85 3.86 0.00 -0.83 -1.75 119.26 121.12 3hha h ALA 125 Ca 0.30 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hha h ALA 125 Cb 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3hha h ALA 125 CO -0.04 -0.16 0.56 0.28 0.00 0.00 0.00 179.25 179.89 3hha h VAL 126 N 0.02 1.18 -0.21 0.00 2.07 -0.71 0.11 116.25 118.71 3hha h VAL 126 Ca 0.04 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3hha h VAL 126 Cb 0.28 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3hha h VAL 126 CO 0.00 0.20 -0.20 0.00 0.02 0.00 0.00 177.57 177.59 3hha h ALA 127 N 1.33 1.27 0.00 1.67 0.00 -0.81 -3.28 119.26 119.44 3hha h ALA 127 Ca 0.32 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3hha h ALA 127 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hha h ALA 127 CO -0.09 0.48 -1.79 0.25 0.00 0.00 0.00 179.25 178.11 3hha n THR 128 N -4.18 0.46 -0.13 0.00 -2.24 -0.67 -4.80 114.28 102.71 3hha n THR 128 Ca -0.00 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 3hha n THR 128 Cb 0.35 -0.24 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.25 1.46 0.00 2.28 0.31 0.34 -5.08 118.33 115.39 3hha n VAL 129 Ca -0.12 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3hha n VAL 129 Cb 0.65 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 1.35 0.77 3.69 2.92 0.00 -1.24 -4.92 105.19 107.77 3hha n GLY 130 Ca -0.52 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.05 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 1.97 -5.03 1.61 -0.02 -1.26 -4.44 135.00 127.83 3hha n PRO 131 Ca 0.00 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 3hha n PRO 131 Cb 0.00 -2.32 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 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 -1.15 1.78 0.12 4.25 -1.09 -0.37 -4.72 121.20 120.01 3hha s ILE 132 Ca 0.58 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.84 3hha s ILE 132 Cb -0.54 -1.55 -0.07 0.00 -1.58 0.00 0.00 42.46 38.72 3hha s ILE 132 CO 0.60 0.50 1.24 -0.44 -1.23 0.00 0.00 174.94 175.61 3hha s SER 133 N 0.38 7.03 0.08 3.58 0.01 -0.39 -0.92 113.70 123.46 3hha s SER 133 Ca -0.16 2.16 -0.00 0.00 1.31 0.00 0.00 55.95 59.26 3hha s SER 133 Cb -0.17 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3hha s SER 133 CO 0.07 -0.47 -0.02 0.68 0.41 0.00 0.00 173.24 173.90 3hha s VAL 134 N 0.68 0.35 -0.00 3.43 -7.23 -0.64 -1.08 120.40 115.91 3hha s VAL 134 Ca 0.58 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3hha s VAL 134 Cb -0.32 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3hha s VAL 134 CO 0.32 -0.86 -0.19 0.00 -0.31 0.00 0.00 175.10 174.06 3hha s ALA 135 N -3.85 2.51 0.12 1.32 0.00 -1.24 -0.70 121.76 119.93 3hha s ALA 135 Ca 0.12 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.02 3hha s ALA 135 Cb 0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3hha s ALA 135 CO -0.06 0.56 -0.14 0.96 0.00 0.00 0.00 175.76 177.08 3hha s ILE 136 N -0.79 1.29 -0.76 0.00 -4.36 0.38 -3.83 121.20 113.14 3hha s ILE 136 Ca 0.13 -1.72 -0.26 0.00 -0.26 0.00 0.00 60.65 58.54 3hha s ILE 136 Cb -0.10 -1.52 0.01 0.00 1.25 0.00 0.00 42.46 42.10 3hha s ILE 136 CO 0.02 -0.44 1.51 -0.62 0.24 0.00 0.00 174.94 175.66 3hha s ASP 137 N -2.47 5.89 -0.02 4.36 2.15 0.76 -1.52 116.67 125.83 3hha s ASP 137 Ca 0.09 -0.39 0.21 0.00 0.43 0.00 0.00 52.55 52.88 3hha s ASP 137 Cb -0.05 -2.55 0.62 0.00 -0.30 0.00 0.00 42.92 40.64 3hha s ASP 137 CO 0.03 -2.01 1.52 0.00 -0.17 0.00 0.00 175.17 174.54 3hha n ALA 138 N 10.55 2.44 -1.33 3.66 0.00 -1.26 -4.82 120.51 129.76 3hha n ALA 138 Ca 0.14 -1.33 -0.29 0.00 0.00 0.00 0.00 53.44 51.96 3hha n ALA 138 Cb 0.50 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 1.45 4.01 3.10 0.00 0.00 -1.26 -4.72 105.19 107.77 3hha n GLY 139 Ca 0.23 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 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 0.90 -0.16 0.43 1.61 3.76 -1.26 -5.04 115.29 115.53 3hha s HIS 140 Ca 0.66 0.36 0.17 0.00 -0.15 0.00 0.00 55.06 56.10 3hha s HIS 140 Cb 0.25 0.05 1.09 0.00 1.11 0.00 0.00 32.58 35.07 3hha s HIS 140 CO -0.06 -0.17 1.90 1.49 -0.85 0.00 0.00 174.74 177.05 3hha h GLU 141 N 5.33 0.38 -0.87 1.40 4.81 -2.00 -0.16 114.58 123.46 3hha h GLU 141 Ca -0.27 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3hha h GLU 141 Cb 1.19 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 3hha h GLU 141 CO 0.39 0.25 0.54 0.66 -0.73 0.00 0.00 179.01 180.11 3hha h SER 142 N 0.39 0.83 -0.24 1.04 4.64 -1.95 0.69 113.55 118.95 3hha h SER 142 Ca 0.40 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 3hha h SER 142 Cb 0.98 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 3hha h SER 142 CO -0.13 0.51 -0.09 0.15 -0.87 0.00 0.00 176.83 176.40 3hha h PHE 143 N 0.95 0.55 -0.58 4.77 3.57 -1.33 0.11 116.94 124.98 3hha h PHE 143 Ca 0.39 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.82 3hha h PHE 143 Cb 0.23 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3hha h PHE 143 CO -0.03 0.74 0.28 -0.07 -2.23 0.00 0.00 178.31 176.99 3hha h LEU 144 N 0.21 0.38 -1.62 0.59 3.38 -1.14 -2.35 115.31 114.75 3hha h LEU 144 Ca 0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hha h LEU 144 Cb 0.58 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hha h LEU 144 CO 0.03 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.30 3hha n PHE 145 N -4.89 0.64 -1.76 1.13 3.72 0.19 -4.95 117.46 111.54 3hha n PHE 145 Ca 0.07 -0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 56.77 3hha n PHE 145 Cb 0.19 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 3hha n PHE 145 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hha s TYR 146 N -1.58 2.82 0.08 1.38 5.04 0.00 -4.93 117.35 120.16 3hha s TYR 146 Ca 0.26 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.50 3hha s TYR 146 Cb 0.15 -4.09 -0.00 0.00 0.35 0.00 0.00 41.96 38.37 3hha s TYR 146 CO 0.15 -3.85 -0.02 1.63 -1.34 0.00 0.00 175.55 172.12 3hha n LYS 147 N 2.88 0.03 -4.00 4.97 5.02 -1.26 -3.30 118.16 122.50 3hha n LYS 147 Ca 0.11 0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 3hha n LYS 147 Cb 0.37 -0.56 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 3hha n LYS 147 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hha s GLU 148 N -2.06 1.40 1.49 1.97 -1.05 -1.26 -3.37 118.70 115.83 3hha s GLU 148 Ca -0.02 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 3hha s GLU 148 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3hha s GLU 148 CO 0.03 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.09 3hha n GLY 149 N -0.33 -1.69 3.64 -3.83 0.00 -1.26 -4.77 105.19 96.95 3hha n GLY 149 Ca -0.03 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 5.05 -0.12 -0.61 1.01 -1.26 -4.15 121.20 121.12 3hha s ILE 150 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 60.65 61.38 3hha s ILE 150 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3hha s ILE 150 CO 0.00 0.10 1.17 -0.47 0.00 0.00 0.00 174.94 175.74 3hha s TYR 151 N 2.10 3.15 -0.04 3.97 5.04 0.13 -4.85 117.35 126.85 3hha s TYR 151 Ca 0.25 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 56.10 3hha s TYR 151 Cb -0.16 -3.39 0.03 0.00 0.35 0.00 0.00 41.96 38.79 3hha s TYR 151 CO 0.09 -1.17 0.03 0.12 -1.34 0.00 0.00 175.55 173.29 3hha s PHE 152 N 2.72 0.17 -0.29 4.97 5.36 -1.26 -1.45 117.98 128.19 3hha s PHE 152 Ca 0.53 0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.65 3hha s PHE 152 Cb -0.22 -0.44 0.08 0.00 -0.34 0.00 0.00 43.02 42.11 3hha s PHE 152 CO 0.17 -0.17 -0.00 -2.00 -1.46 0.00 0.00 175.22 171.76 3hha s GLU 153 N 1.64 1.57 0.59 10.12 2.56 -1.26 -5.01 118.70 128.90 3hha s GLU 153 Ca -0.02 -1.42 0.29 0.00 0.00 0.00 0.00 54.97 53.83 3hha s GLU 153 Cb -0.13 -2.81 1.46 0.00 2.00 0.00 0.00 34.13 34.66 3hha s GLU 153 CO -0.03 -0.78 1.88 -1.35 -0.56 0.00 0.00 175.26 174.43 3hha h PRO 154 N 7.80 0.00 -0.64 4.30 0.11 -2.04 -1.08 132.00 140.45 3hha h PRO 154 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3hha h PRO 154 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hha h PRO 154 CO 0.47 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 3hha n ASP 155 N -3.75 4.18 -4.78 -2.05 8.00 -1.26 -4.96 116.55 111.92 3hha n ASP 155 Ca 0.09 -2.38 -0.36 0.00 0.71 0.00 0.00 54.79 52.85 3hha n ASP 155 Cb 0.71 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3hha n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hha s SER 157 N -1.55 6.61 0.00 0.00 0.15 -1.26 -4.76 113.70 112.89 3hha s SER 157 Ca 0.62 0.74 0.24 0.00 0.70 0.00 0.00 55.95 58.25 3hha s SER 157 Cb -0.24 -2.16 0.25 0.00 -1.71 0.00 0.00 66.02 62.16 3hha s SER 157 CO 0.29 0.23 1.25 -1.20 1.20 0.00 0.00 173.24 175.01 3hha n SER 158 N 1.17 1.63 0.00 5.45 7.64 -1.26 -2.87 113.62 125.38 3hha n SER 158 Ca -0.11 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.51 3hha n SER 158 Cb 0.53 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 -0.32 0.17 -3.83 1.43 -0.58 -1.26 -4.22 120.64 112.03 3hha n GLU 159 Ca 0.10 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.50 3hha n GLU 159 Cb 0.42 -0.99 -0.12 0.00 -0.57 0.00 0.00 31.44 30.19 3hha n GLU 159 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hha s ASP 160 N -1.95 4.93 0.13 1.62 2.15 -1.26 -5.09 116.67 117.20 3hha s ASP 160 Ca 0.00 -2.65 0.04 0.00 0.43 0.00 0.00 52.55 50.37 3hha s ASP 160 Cb 0.00 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 3hha s ASP 160 CO 0.00 -0.37 0.10 -0.04 -0.17 0.00 0.00 175.17 174.69 3hha s MET 161 N 0.23 2.84 0.00 4.34 -1.94 -1.26 -4.43 119.30 119.08 3hha s MET 161 Ca 0.15 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 3hha s MET 161 Cb -0.22 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 33.97 3hha s MET 161 CO -0.03 0.51 0.33 -0.40 -0.01 0.00 0.00 175.02 175.42 3hha n ASP 162 N -0.01 0.39 -3.70 3.03 5.68 -0.57 -4.87 116.55 116.50 3hha n ASP 162 Ca -0.09 -1.11 -0.14 0.00 -0.50 0.00 0.00 54.79 52.96 3hha n ASP 162 Cb 0.53 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 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 -0.11 -0.32 -0.10 2.11 5.04 -0.77 -4.92 115.29 116.22 3hha s HIS 163 Ca 0.00 0.79 -0.15 0.00 -1.54 0.00 0.00 55.06 54.16 3hha s HIS 163 Cb 0.00 -0.04 -0.05 0.00 0.04 0.00 0.00 32.58 32.53 3hha s HIS 163 CO 0.00 -0.28 0.38 0.20 -2.34 0.00 0.00 174.74 172.71 3hha s GLY 164 N 1.82 2.35 0.12 1.59 0.00 -1.26 -0.47 107.32 111.47 3hha s GLY 164 Ca -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3hha s GLY 164 CO -0.08 0.45 0.13 3.33 0.00 0.00 0.00 173.10 176.93 3hha n VAL 165 N 3.09 0.00 -4.01 1.40 0.24 0.12 -4.47 118.33 114.70 3hha n VAL 165 Ca -0.11 -0.78 -0.25 0.00 -2.04 0.00 0.00 64.34 61.16 3hha n VAL 165 Cb 0.52 0.42 -0.17 0.00 -1.47 0.00 0.00 33.84 33.14 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 1.15 -0.28 1.34 2.96 -1.00 -1.62 118.68 121.23 3hha s LEU 166 Ca 0.13 -0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.56 3hha s LEU 166 Cb 0.00 -0.72 -0.00 0.00 0.50 0.00 0.00 46.19 45.97 3hha s LEU 166 CO 0.09 -0.10 0.80 -0.69 -1.32 0.00 0.00 176.35 175.13 3hha s VAL 167 N 1.52 4.82 -1.88 1.68 1.01 -0.10 -0.42 120.40 127.03 3hha s VAL 167 Ca 0.00 1.36 0.16 0.00 0.00 0.00 0.00 61.98 63.50 3hha s VAL 167 Cb -0.13 -4.13 0.17 0.00 0.00 0.00 0.00 36.38 32.29 3hha s VAL 167 CO -0.05 -0.16 1.05 1.33 0.00 0.00 0.00 175.10 177.26 3hha n VAL 168 N 5.41 0.13 -3.73 2.92 0.24 -0.03 -1.23 118.33 122.04 3hha n VAL 168 Ca 0.04 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3hha n VAL 168 Cb 0.48 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 0.89 -1.07 3.61 7.63 0.00 -1.20 -0.73 105.19 114.31 3hha n GLY 169 Ca 0.10 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.30 0.00 1.61 -0.85 -0.18 -0.94 117.35 113.69 3hha s TYR 170 Ca 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 3hha s TYR 170 Cb 0.00 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3hha s TYR 170 CO 0.00 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 3hha n GLY 171 N -0.37 1.25 3.27 5.49 0.00 -0.38 -1.00 105.19 113.44 3hha n GLY 171 Ca -0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.61 -0.08 -0.09 1.61 -0.71 -1.26 -1.14 117.98 114.70 3hha s PHE 172 Ca 0.00 -0.21 -0.23 0.00 -1.04 0.00 0.00 56.93 55.45 3hha s PHE 172 Cb 0.00 0.12 0.05 0.00 -1.21 0.00 0.00 43.02 41.98 3hha s PHE 172 CO 0.00 -0.59 0.55 -1.83 -1.34 0.00 0.00 175.22 172.00 3hha s GLU 173 N -3.40 0.84 0.29 1.99 -1.05 0.09 -5.00 118.70 112.45 3hha s GLU 173 Ca 0.01 0.29 -0.29 0.00 -0.15 0.00 0.00 54.97 54.82 3hha s GLU 173 Cb 0.02 0.40 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 3hha s GLU 173 CO -0.09 -0.22 1.39 -1.12 0.95 0.00 0.00 175.26 176.17 3hha s SER 174 N -0.80 6.68 0.16 0.83 0.01 -1.26 -4.47 113.70 114.85 3hha s SER 174 Ca -0.09 2.69 0.02 0.00 1.31 0.00 0.00 55.95 59.88 3hha s SER 174 Cb -0.03 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 3hha s SER 174 CO 0.06 -0.65 -0.00 0.42 0.41 0.00 0.00 173.24 173.48 3hha s THR 175 N -0.50 0.65 0.23 1.44 -4.23 -1.26 -5.05 115.64 106.92 3hha s THR 175 Ca 0.55 -1.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.02 3hha s THR 175 Cb -0.41 -2.06 0.18 0.00 1.34 0.00 0.00 72.50 71.55 3hha s THR 175 CO 0.48 -0.53 1.73 -0.08 -0.54 0.00 0.00 174.62 175.68 3hha h GLU 176 N 2.74 0.38 -0.01 3.99 4.57 -1.95 -2.57 114.58 121.73 3hha h GLU 176 Ca -0.36 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3hha h GLU 176 Cb 1.20 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3hha h GLU 176 CO 0.63 0.25 -0.20 -1.13 -1.18 0.00 0.00 179.01 177.37 3hha n SER 177 N -5.03 1.21 -1.45 1.04 3.41 -1.26 -4.94 113.62 106.61 3hha n SER 177 Ca 0.11 -1.08 -0.16 0.00 -0.26 0.00 0.00 58.87 57.48 3hha n SER 177 Cb 0.35 0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.40 -4.95 -4.37 4.04 10.43 -0.97 -4.95 116.55 115.39 3hha n ASP 178 Ca 0.14 0.28 -0.46 0.00 2.57 0.00 0.00 54.79 57.32 3hha n ASP 178 Cb 0.36 -3.94 -0.03 0.00 1.84 0.00 0.00 41.12 39.35 3hha n ASP 178 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3hha s ASN 179 N -2.65 6.56 0.00 -2.24 -0.87 -1.26 -4.91 114.94 109.57 3hha s ASN 179 Ca 0.00 -2.19 0.13 0.00 -1.57 0.00 0.00 52.86 49.23 3hha s ASN 179 Cb 0.00 -2.28 -0.14 0.00 -0.02 0.00 0.00 41.25 38.81 3hha s ASN 179 CO 0.00 -0.83 0.58 0.59 -2.57 0.00 0.00 177.10 174.86 3hha n ASN 180 N 5.23 0.67 -4.89 -1.22 3.02 -1.26 -4.79 115.26 112.01 3hha n ASN 180 Ca 0.09 -0.84 -0.33 0.00 -0.03 0.00 0.00 54.58 53.47 3hha n ASN 180 Cb 0.46 0.97 -0.05 0.00 -0.61 0.00 0.00 39.78 40.56 3hha n ASN 180 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hha s LYS 181 N -2.24 3.56 0.03 3.52 1.02 -1.26 -0.73 119.74 123.64 3hha s LYS 181 Ca 0.05 -0.15 -0.08 0.00 0.02 0.00 0.00 55.97 55.81 3hha s LYS 181 Cb 0.10 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3hha s LYS 181 CO 0.54 0.61 0.16 1.52 -0.92 0.00 0.00 175.35 177.25 3hha s TYR 182 N -1.41 0.09 -0.05 3.18 -0.85 -0.29 -1.56 117.35 116.45 3hha s TYR 182 Ca 0.32 -0.31 -0.16 0.00 -0.52 0.00 0.00 57.07 56.40 3hha s TYR 182 Cb -0.13 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.09 3hha s TYR 182 CO 0.20 -0.38 0.44 -1.58 -1.52 0.00 0.00 175.55 172.71 3hha s TRP 183 N -2.33 3.63 -0.38 -3.49 0.52 0.77 -1.25 118.94 116.41 3hha s TRP 183 Ca -0.07 0.95 -0.20 0.00 0.02 0.00 0.00 56.10 56.79 3hha s TRP 183 Cb -0.02 -2.41 0.01 0.00 -1.15 0.00 0.00 33.47 29.90 3hha s TRP 183 CO -0.03 0.43 0.63 -1.17 0.02 0.00 0.00 176.95 176.83 3hha s LEU 184 N -0.32 4.32 -0.13 2.99 2.96 -0.11 -0.90 118.68 127.48 3hha s LEU 184 Ca 0.24 0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 3hha s LEU 184 Cb -0.16 -2.76 0.01 0.00 0.50 0.00 0.00 46.19 43.78 3hha s LEU 184 CO 0.12 -0.64 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.60 3hha s VAL 185 N 2.73 2.14 -0.20 1.68 1.01 -0.18 -0.85 120.40 126.73 3hha s VAL 185 Ca 0.24 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 3hha s VAL 185 Cb -0.14 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 3hha s VAL 185 CO 0.16 0.55 0.76 -0.75 0.00 0.00 0.00 175.10 175.82 3hha s LYS 186 N 0.71 4.23 0.56 2.72 2.20 0.44 -1.11 119.74 129.49 3hha s LYS 186 Ca -0.09 0.85 0.08 0.00 -0.36 0.00 0.00 55.97 56.45 3hha s LYS 186 Cb -0.16 -3.60 0.07 0.00 -1.51 0.00 0.00 37.83 32.64 3hha s LYS 186 CO 0.01 -0.35 0.76 1.21 -0.36 0.00 0.00 175.35 176.62 3hha s ASN 187 N 1.23 5.15 -0.32 1.43 2.47 -0.77 -2.37 114.94 121.76 3hha s ASN 187 Ca 0.34 -0.69 0.10 0.00 0.42 0.00 0.00 52.86 53.04 3hha s ASN 187 Cb -0.16 0.03 0.46 0.00 -1.45 0.00 0.00 41.25 40.14 3hha s ASN 187 CO 0.10 -1.26 1.14 -1.54 -3.72 0.00 0.00 177.10 171.82 3hha n SER 188 N -2.22 3.98 -0.99 -4.21 3.41 -1.26 -4.52 113.62 107.81 3hha n SER 188 Ca 0.14 -3.33 0.03 0.00 -0.26 0.00 0.00 58.87 55.45 3hha n SER 188 Cb 0.61 -0.40 0.23 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.60 1.01 -0.01 7.33 8.01 -1.20 -0.58 117.44 131.40 3hha n TRP 189 Ca 0.33 -1.16 0.00 0.00 -1.31 0.00 0.00 57.50 55.37 3hha n TRP 189 Cb 0.86 -0.39 -0.00 0.00 -2.01 0.00 0.00 31.31 29.78 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 -0.78 -1.68 0.13 6.99 0.00 -0.64 -4.35 105.19 104.86 3hha n GLY 190 Ca 0.26 -1.51 0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.92 0.82 0.09 1.61 0.28 -1.26 -3.55 120.64 116.72 3hha n GLU 191 Ca -0.00 -0.27 0.11 0.00 -0.16 0.00 0.00 57.16 56.84 3hha n GLU 191 Cb 0.00 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.38 3hha n GLU 191 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3hha n GLU 192 N -0.85 0.57 -2.65 3.44 -0.58 -1.26 -3.20 120.64 116.11 3hha n GLU 192 Ca 0.16 0.10 -0.40 0.00 -0.42 0.00 0.00 57.16 56.60 3hha n GLU 192 Cb 0.26 -1.79 -0.05 0.00 -0.57 0.00 0.00 31.44 29.29 3hha n GLU 192 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 3hha s TRP 193 N -3.35 3.83 0.00 -0.32 -0.00 -1.23 -4.90 118.94 112.97 3hha s TRP 193 Ca -0.00 1.83 0.00 0.00 -0.00 0.00 0.00 56.10 57.93 3hha s TRP 193 Cb 0.10 -3.10 0.00 0.00 -0.00 0.00 0.00 33.47 30.48 3hha s TRP 193 CO 0.79 0.07 0.00 0.41 -0.00 0.00 0.00 176.95 178.23 3hha n GLY 194 N 1.43 0.87 3.36 5.86 0.00 -1.21 -0.66 105.19 114.84 3hha n GLY 194 Ca -0.01 -0.71 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 3hha n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hha s MET 195 N 0.00 3.47 -1.89 1.61 -1.94 -0.14 -4.42 119.30 115.99 3hha s MET 195 Ca 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 55.69 51.87 3hha s MET 195 Cb 0.00 -4.49 0.00 0.00 2.01 0.00 0.00 34.83 32.35 3hha s MET 195 CO 0.00 -1.42 0.00 0.41 -0.01 0.00 0.00 175.02 174.00 3hha n GLY 196 N 4.57 0.35 0.97 -0.03 0.00 -1.24 -1.50 105.19 108.31 3hha n GLY 196 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.79 0.71 3.69 -0.02 0.00 0.16 -4.58 105.19 104.37 3hha n GLY 197 Ca -0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.53 2.86 -0.00 1.61 1.51 -0.56 -1.85 117.35 118.37 3hha s TYR 198 Ca 0.00 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 3hha s TYR 198 Cb 0.00 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3hha s TYR 198 CO 0.00 0.55 -0.09 0.54 -1.11 0.00 0.00 175.55 175.43 3hha s VAL 199 N -1.94 0.72 -0.55 0.71 0.11 -0.27 -0.97 120.40 118.21 3hha s VAL 199 Ca 0.29 -0.42 -0.20 0.00 -2.93 0.00 0.00 61.98 58.73 3hha s VAL 199 Cb -0.08 -0.61 0.07 0.00 -1.53 0.00 0.00 36.38 34.23 3hha s VAL 199 CO 0.20 0.19 0.72 -0.54 -3.33 0.00 0.00 175.10 172.34 3hha s LYS 200 N -0.26 3.12 0.10 1.54 1.02 -1.26 -1.01 119.74 122.99 3hha s LYS 200 Ca 0.03 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 3hha s LYS 200 Cb -0.04 -4.15 -0.07 0.00 -0.52 0.00 0.00 37.83 33.05 3hha s LYS 200 CO -0.00 -1.41 0.74 -1.64 -0.92 0.00 0.00 175.35 172.11 3hha s MET 201 N 2.96 4.48 0.09 1.68 -1.94 -0.08 0.17 119.30 126.68 3hha s MET 201 Ca 0.17 1.05 -0.35 0.00 -1.71 0.00 0.00 55.69 54.84 3hha s MET 201 Cb -0.20 -3.30 -0.15 0.00 2.01 0.00 0.00 34.83 33.20 3hha s MET 201 CO 0.11 0.47 1.52 0.00 -0.01 0.00 0.00 175.02 177.10 3hha n ALA 202 N 2.11 0.37 -2.45 3.03 0.00 -0.53 -0.17 120.51 122.87 3hha n ALA 202 Ca -0.05 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 3hha n ALA 202 Cb 0.50 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.57 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 1.09 2.17 -1.48 0.00 2.20 -0.60 -4.55 119.74 118.57 3hha s LYS 203 Ca 0.83 -0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 55.46 3hha s LYS 203 Cb -0.80 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 33.31 3hha s LYS 203 CO 0.43 0.56 0.79 -0.25 -0.36 0.00 0.00 175.35 176.53 3hha n ASP 204 N 1.78 -6.19 -3.20 1.43 8.00 -1.26 -4.54 116.55 112.57 3hha n ASP 204 Ca -0.16 -0.37 -0.27 0.00 0.71 0.00 0.00 54.79 54.70 3hha n ASP 204 Cb 0.52 -4.94 -0.06 0.00 -0.02 0.00 0.00 41.12 36.61 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 -4.32 2.81 -3.58 -1.24 1.74 -1.26 -4.90 116.66 105.91 3hha n ARG 205 Ca -0.07 -4.73 -0.21 0.00 -0.77 0.00 0.00 57.85 52.07 3hha n ARG 205 Cb 0.60 -2.23 0.07 0.00 -1.02 0.00 0.00 32.46 29.88 3hha n ARG 205 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hha n ARG 206 N 0.36 -6.60 -3.52 5.56 1.74 -1.26 -3.01 116.66 109.93 3hha n ARG 206 Ca 0.30 0.78 -0.21 0.00 -0.77 0.00 0.00 57.85 57.95 3hha n ARG 206 Cb 0.41 -5.71 0.05 0.00 -1.02 0.00 0.00 32.46 26.19 3hha n ARG 206 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hha n ASN 207 N -3.06 -3.92 -4.72 0.55 5.15 -1.26 -4.81 115.26 103.19 3hha n ASN 207 Ca -0.17 -0.80 -0.42 0.00 -0.60 0.00 0.00 54.58 52.58 3hha n ASN 207 Cb 0.63 -4.41 -0.03 0.00 -0.53 0.00 0.00 39.78 35.44 3hha n ASN 207 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3hha s HIS 208 N -3.50 2.90 -1.25 1.20 5.65 -1.17 -1.32 115.29 117.81 3hha s HIS 208 Ca 0.25 0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.90 3hha s HIS 208 Cb -0.06 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 3hha s HIS 208 CO 0.79 -4.34 0.00 0.00 -0.65 0.00 0.00 174.74 170.54 3hha n GLY 210 N 0.17 0.53 0.28 0.00 0.00 -0.43 -0.17 105.19 105.56 3hha n GLY 210 Ca -0.12 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.06 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 0.90 -0.30 -0.61 2.10 -1.64 0.61 117.51 118.58 3hha h ILE 211 Ca -0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.89 3hha h ILE 211 Cb 0.30 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 3hha h ILE 211 CO 0.08 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.15 3hha n ALA 212 N -2.51 2.45 0.36 0.18 0.00 -1.26 -4.50 120.51 115.24 3hha n ALA 212 Ca -0.02 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.71 3hha n ALA 212 Cb 0.13 -0.94 0.17 0.00 0.00 0.00 0.00 19.45 18.81 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 3.80 0.00 -0.66 0.00 0.02 -1.15 -3.35 113.55 112.21 3hha h SER 213 Ca 0.00 -0.06 -0.32 0.00 -0.84 0.00 0.00 61.79 60.57 3hha h SER 213 Cb 0.84 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.14 3hha h SER 213 CO 0.00 0.03 -0.70 0.00 -1.14 0.00 0.00 176.83 175.02 3hha n ALA 214 N -1.99 0.47 -2.73 3.77 0.00 -1.26 -4.90 120.51 113.87 3hha n ALA 214 Ca 0.03 -2.12 -0.37 0.00 0.00 0.00 0.00 53.44 50.98 3hha n ALA 214 Cb 0.49 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.73 3.78 0.25 0.00 0.00 -1.26 -3.61 121.76 120.19 3hha s ALA 215 Ca 0.28 -0.49 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 3hha s ALA 215 Cb 0.33 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 21.32 3hha s ALA 215 CO -0.06 0.49 0.75 -1.54 0.00 0.00 0.00 175.76 175.41 3hha s SER 216 N -0.81 -0.26 0.04 0.00 1.04 -0.24 -1.36 113.70 112.12 3hha s SER 216 Ca 0.18 -0.54 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 3hha s SER 216 Cb -0.14 0.68 0.04 0.00 0.10 0.00 0.00 66.02 66.71 3hha s SER 216 CO 0.07 -1.25 0.44 -0.72 0.98 0.00 0.00 173.24 172.76 3hha s TYR 217 N -3.81 -0.31 0.43 5.02 1.13 -0.77 -1.26 117.35 117.79 3hha s TYR 217 Ca 0.11 0.31 -0.15 0.00 -1.41 0.00 0.00 57.07 55.93 3hha s TYR 217 Cb -0.05 0.25 -0.08 0.00 -1.10 0.00 0.00 41.96 40.98 3hha s TYR 217 CO 0.05 -0.59 0.87 -1.25 -2.51 0.00 0.00 175.55 172.13 3hha s PRO 218 N -2.41 3.96 -0.23 -3.49 0.04 -1.26 -0.94 135.00 130.67 3hha s PRO 218 Ca -0.06 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.63 3hha s PRO 218 Cb -0.01 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3hha s PRO 218 CO -0.02 -0.08 0.34 0.99 0.04 0.00 0.00 177.00 178.27 3hha s THR 219 N -2.35 5.23 -0.97 1.26 2.01 -0.05 -4.86 115.64 115.90 3hha s THR 219 Ca 0.56 0.54 0.08 0.00 0.31 0.00 0.00 61.69 63.19 3hha s THR 219 Cb -0.10 -3.67 0.06 0.00 0.01 0.00 0.00 72.50 68.80 3hha s THR 219 CO 0.25 0.24 0.75 0.52 -0.69 0.00 0.00 174.62 175.69