#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg3 h LEU 12 N 0.00 0.36 -0.35 -2.67 5.85 -2.05 -1.79 115.31 114.65 2hg3 h LEU 12 Ca 0.00 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 2hg3 h LEU 12 Cb 0.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2hg3 h LEU 12 CO 0.00 0.22 -0.69 0.00 -0.34 0.00 0.00 178.44 177.62 2hg3 h ALA 13 N 1.70 0.53 -0.51 1.25 0.00 -2.05 -1.08 119.26 119.09 2hg3 h ALA 13 Ca 0.28 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 2hg3 h ALA 13 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2hg3 h ALA 13 CO -0.08 0.72 0.09 0.77 0.00 0.00 0.00 179.25 180.75 2hg3 h SER 14 N 0.41 0.75 -0.29 0.00 0.02 -1.79 -0.99 113.55 111.66 2hg3 h SER 14 Ca -0.03 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2hg3 h SER 14 Cb 1.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.61 2hg3 h SER 14 CO 0.13 0.76 0.06 0.25 -1.14 0.00 0.00 176.83 176.89 2hg3 h LEU 15 N 0.77 0.45 -0.52 5.07 5.85 -1.12 -2.15 115.31 123.66 2hg3 h LEU 15 Ca 0.16 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2hg3 h LEU 15 Cb 0.33 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2hg3 h LEU 15 CO 0.00 0.58 0.24 0.00 -0.34 0.00 0.00 178.44 178.93 2hg3 h ALA 16 N 0.88 0.68 0.05 1.25 0.00 -0.64 -1.13 119.26 120.35 2hg3 h ALA 16 Ca 0.09 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2hg3 h ALA 16 Cb 0.32 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2hg3 h ALA 16 CO 0.00 0.25 -1.07 0.97 0.00 0.00 0.00 179.25 179.40 2hg3 h ILE 17 N 0.70 1.39 -0.28 0.00 6.09 -1.20 -1.11 117.51 123.10 2hg3 h ILE 17 Ca 0.18 -2.56 -0.00 0.00 -1.37 0.00 0.00 64.86 61.11 2hg3 h ILE 17 Cb 0.14 2.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.99 2hg3 h ILE 17 CO -0.02 0.76 0.17 0.22 -3.07 0.00 0.00 178.15 176.22 2hg3 h TYR 18 N 0.22 0.36 -0.56 2.19 3.20 -1.26 -1.84 116.97 119.28 2hg3 h TYR 18 Ca -0.12 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.77 2hg3 h TYR 18 Cb 1.73 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.86 2hg3 h TYR 18 CO 0.07 0.26 0.37 0.77 -1.64 0.00 0.00 178.16 178.00 2hg3 h SER 19 N 0.36 0.63 -0.50 -2.11 0.02 -1.13 -2.71 113.55 108.11 2hg3 h SER 19 Ca 0.10 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2hg3 h SER 19 Cb -0.00 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2hg3 h SER 19 CO -0.02 0.45 -0.08 0.15 -1.14 0.00 0.00 176.83 176.19 2hg3 h PHE 20 N 0.75 1.05 -0.57 3.45 3.57 -0.40 -1.00 116.94 123.79 2hg3 h PHE 20 Ca 0.21 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2hg3 h PHE 20 Cb -0.06 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 2hg3 h PHE 20 CO -0.00 1.00 0.06 -1.49 -2.23 0.00 0.00 178.31 175.65 2hg3 h TRP 21 N 0.80 0.99 -0.20 0.41 4.06 -1.14 0.17 115.95 121.04 2hg3 h TRP 21 Ca 0.13 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 2hg3 h TRP 21 Cb 0.63 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 2hg3 h TRP 21 CO 0.05 0.86 0.04 0.82 -3.56 0.00 0.00 178.44 176.65 2hg3 h ILE 22 N 0.88 1.22 -0.39 1.49 2.04 -1.19 -0.12 117.51 121.44 2hg3 h ILE 22 Ca 0.18 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.37 2hg3 h ILE 22 Cb 0.43 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2hg3 h ILE 22 CO 0.01 0.23 0.05 0.15 0.00 0.00 0.00 178.15 178.59 2hg3 h PHE 23 N 0.14 0.08 -0.62 1.37 3.57 -0.79 -1.56 116.94 119.12 2hg3 h PHE 23 Ca 0.06 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 2hg3 h PHE 23 Cb 0.31 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2hg3 h PHE 23 CO 0.02 -0.02 0.02 1.25 -2.23 0.00 0.00 178.31 177.36 2hg3 h LEU 24 N 0.17 1.04 -0.48 0.59 5.85 -0.25 0.40 115.31 122.63 2hg3 h LEU 24 Ca 0.19 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.71 2hg3 h LEU 24 Cb 0.24 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2hg3 h LEU 24 CO -0.27 1.07 0.08 0.00 -0.34 0.00 0.00 178.44 178.99 2hg3 h ALA 25 N 1.03 0.53 -0.21 1.25 0.00 -0.78 -1.02 119.26 120.07 2hg3 h ALA 25 Ca 0.18 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2hg3 h ALA 25 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2hg3 h ALA 25 CO 0.03 -0.32 -0.24 0.78 0.00 0.00 0.00 179.25 179.50 2hg3 h GLY 26 N 0.21 0.42 0.83 0.00 0.00 -0.37 -2.15 103.07 102.01 2hg3 h GLY 26 Ca 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2hg3 h GLY 26 CO -0.33 0.30 0.03 -2.00 0.00 0.00 0.00 176.54 174.54 2hg3 h LEU 27 N 0.35 0.23 -0.68 3.11 5.85 -0.58 -1.28 115.31 122.30 2hg3 h LEU 27 Ca 0.05 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 2hg3 h LEU 27 Cb 0.61 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2hg3 h LEU 27 CO 0.04 0.41 0.28 0.40 -0.34 0.00 0.00 178.44 179.23 2hg3 h ILE 28 N 0.04 1.24 0.09 4.05 2.04 -1.07 0.31 117.51 124.20 2hg3 h ILE 28 Ca 0.05 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.19 2hg3 h ILE 28 Cb 0.27 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2hg3 h ILE 28 CO 0.00 0.30 -0.23 0.22 0.00 0.00 0.00 178.15 178.43 2hg3 h TYR 29 N 0.96 -0.62 -0.32 1.37 3.20 -1.28 0.84 116.97 121.12 2hg3 h TYR 29 Ca 0.23 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.18 2hg3 h TYR 29 Cb 0.19 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 2hg3 h TYR 29 CO 0.01 -0.33 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.16 2hg3 h TYR 30 N -0.42 -0.30 -0.57 -3.82 3.20 -0.70 -0.57 116.97 113.79 2hg3 h TYR 30 Ca 0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.95 2hg3 h TYR 30 Cb 0.45 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.88 2hg3 h TYR 30 CO -0.23 -0.20 0.38 -0.07 -1.64 0.00 0.00 178.16 176.40 2hg3 h LEU 31 N -0.07 0.65 -0.30 2.82 3.38 -0.03 -0.36 115.31 121.40 2hg3 h LEU 31 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2hg3 h LEU 31 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2hg3 h LEU 31 CO -0.37 0.47 -0.01 -0.61 0.09 0.00 0.00 178.44 178.01 2hg3 h GLN 32 N 0.77 0.54 -0.20 1.13 5.75 -0.41 -2.13 115.11 120.56 2hg3 h GLN 32 Ca 0.21 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2hg3 h GLN 32 Cb -0.09 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2hg3 h GLN 32 CO -0.05 0.69 -0.12 1.79 -2.65 0.00 0.00 178.83 178.49 2hg3 h THR 33 N 0.33 1.19 -0.33 2.39 1.35 -0.81 -1.98 112.91 115.07 2hg3 h THR 33 Ca 0.08 -0.85 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 2hg3 h THR 33 Cb 0.45 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2hg3 h THR 33 CO 0.02 0.27 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.20 2hg3 h GLU 34 N 0.30 0.51 -0.01 4.72 4.39 -0.62 -1.97 114.58 121.90 2hg3 h GLU 34 Ca 0.06 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2hg3 h GLU 34 Cb 0.40 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2hg3 h GLU 34 CO 0.02 0.56 0.00 0.09 -1.16 0.00 0.00 179.01 178.52 2hg3 n ASN 35 N -4.27 0.12 -1.87 1.42 3.02 -0.75 -3.19 115.26 109.74 2hg3 n ASN 35 Ca 0.01 -1.41 0.07 0.00 -0.03 0.00 0.00 54.58 53.22 2hg3 n ASN 35 Cb 0.26 -0.01 0.40 0.00 -0.61 0.00 0.00 39.78 39.82 2hg3 n ASN 35 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2hg3 n MET 36 N -0.72 4.80 0.08 3.52 2.81 -0.74 -4.46 117.12 122.41 2hg3 n MET 36 Ca 0.15 -3.15 0.13 0.00 -1.81 0.00 0.00 57.70 53.01 2hg3 n MET 36 Cb 0.09 -2.24 0.47 0.00 -0.71 0.00 0.00 33.22 30.83 2hg3 n MET 36 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2hg3 n ARG 37 N 0.67 0.17 -4.56 0.03 1.74 -1.19 -4.42 116.66 109.09 2hg3 n ARG 37 Ca 0.28 0.20 -0.23 0.00 -0.77 0.00 0.00 57.85 57.33 2hg3 n ARG 37 Cb 1.17 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 30.75 2hg3 n ARG 37 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hg3 s GLU 38 N -3.11 1.17 0.00 5.56 0.41 -1.26 -4.17 118.70 117.31 2hg3 s GLU 38 Ca 0.10 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.92 2hg3 s GLU 38 Cb 0.13 -1.19 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 2hg3 s GLU 38 CO 0.52 0.31 0.00 0.41 -0.49 0.00 0.00 175.26 176.01 2hg3 n GLY 39 N 2.16 1.40 3.61 -1.39 0.00 -1.26 -5.02 105.19 104.69 2hg3 n GLY 39 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2hg3 n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hg3 s TYR 40 N -2.77 2.73 0.63 1.61 1.51 -1.26 -4.39 117.35 115.41 2hg3 s TYR 40 Ca 0.00 -0.18 -0.17 0.00 -1.01 0.00 0.00 57.07 55.71 2hg3 s TYR 40 Cb 0.00 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2hg3 s TYR 40 CO 0.00 0.50 1.15 -2.14 -1.11 0.00 0.00 175.55 173.95 2hg3 s PRO 41 N -2.76 2.88 0.73 -1.71 0.02 -1.26 -4.81 135.00 128.09 2hg3 s PRO 41 Ca 0.25 1.58 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 2hg3 s PRO 41 Cb -0.09 -1.94 0.04 0.00 0.02 0.00 0.00 34.50 32.52 2hg3 s PRO 41 CO 0.16 -1.22 1.20 -0.51 -0.33 0.00 0.00 177.00 176.30 2hg3 s LEU 42 N -4.48 3.31 0.15 -5.54 1.43 -1.26 -4.94 118.68 107.36 2hg3 s LEU 42 Ca 0.71 2.32 0.09 0.00 -1.03 0.00 0.00 54.13 56.23 2hg3 s LEU 42 Cb -0.24 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.35 2hg3 s LEU 42 CO 0.37 -2.23 -0.21 -1.61 0.23 0.00 0.00 176.35 172.90 2hg3 s GLU 43 N -3.94 1.29 0.91 1.70 2.02 -1.26 -1.40 118.70 118.03 2hg3 s GLU 43 Ca 0.74 -1.37 -0.11 0.00 0.02 0.00 0.00 54.97 54.25 2hg3 s GLU 43 Cb -0.28 -1.49 0.14 0.00 0.10 0.00 0.00 34.13 32.60 2hg3 s GLU 43 CO 0.45 0.32 1.09 -0.80 0.02 0.00 0.00 175.26 176.34 2hg3 s ASN 44 N -2.44 3.26 0.57 -0.19 0.01 0.93 -4.61 114.94 112.47 2hg3 s ASN 44 Ca 0.14 1.59 0.38 0.00 -0.71 0.00 0.00 52.86 54.26 2hg3 s ASN 44 Cb -0.08 -2.25 1.84 0.00 0.41 0.00 0.00 41.25 41.17 2hg3 s ASN 44 CO 0.07 -2.79 2.13 -0.33 -1.51 0.00 0.00 177.10 174.67 2hg3 h GLU 45 N -1.65 0.00 -0.08 -0.60 5.08 -2.01 0.45 114.58 115.76 2hg3 h GLU 45 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2hg3 h GLU 45 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2hg3 h GLU 45 CO 0.52 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.13 2hg3 n ASP 46 N -2.98 1.25 0.00 1.42 5.68 -1.26 -4.95 116.55 115.72 2hg3 n ASP 46 Ca -0.01 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 2hg3 n ASP 46 Cb 0.17 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 2hg3 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hg3 n GLY 47 N 1.09 0.79 3.87 6.12 0.00 0.15 -5.05 105.19 112.16 2hg3 n GLY 47 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2hg3 n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg3 s THR 48 N -2.94 4.70 0.14 2.61 -4.23 -1.26 -4.79 115.64 109.88 2hg3 s THR 48 Ca 0.00 0.84 -0.31 0.00 -1.18 0.00 0.00 61.69 61.04 2hg3 s THR 48 Cb 0.00 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 2hg3 s THR 48 CO 0.00 -0.86 1.76 -2.16 -0.54 0.00 0.00 174.62 172.81 2hg3 s PRO 49 N -4.56 4.15 0.74 3.99 0.04 -1.26 -0.05 135.00 138.04 2hg3 s PRO 49 Ca 0.54 2.55 -0.13 0.00 0.04 0.00 0.00 61.00 64.00 2hg3 s PRO 49 Cb -0.10 -3.43 0.04 0.00 0.04 0.00 0.00 34.50 31.05 2hg3 s PRO 49 CO 0.42 -0.79 1.12 0.00 0.04 0.00 0.00 177.00 177.79 2hg3 s ALA 50 N 2.21 2.23 0.10 8.56 0.00 -0.49 -4.63 121.76 129.74 2hg3 s ALA 50 Ca 0.78 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 2hg3 s ALA 50 Cb -0.46 -3.34 -0.21 0.00 0.00 0.00 0.00 23.12 19.11 2hg3 s ALA 50 CO 0.34 -1.71 1.20 0.00 0.00 0.00 0.00 175.76 175.59 2hg3 h ALA 51 N -0.66 0.19 -3.01 0.00 0.00 -1.94 -3.41 119.26 110.43 2hg3 h ALA 51 Ca -0.45 -0.82 -0.70 0.00 0.00 0.00 0.00 54.91 52.93 2hg3 h ALA 51 Cb 1.25 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.73 2hg3 h ALA 51 CO 0.51 0.92 -0.53 1.21 0.00 0.00 0.00 179.25 181.36 2hg3 s ASN 52 N -7.13 5.40 0.00 0.00 2.47 -1.26 -4.91 114.94 109.52 2hg3 s ASN 52 Ca -0.05 -1.61 0.27 0.00 0.42 0.00 0.00 52.86 51.89 2hg3 s ASN 52 Cb 0.08 -1.90 0.85 0.00 -1.45 0.00 0.00 41.25 38.83 2hg3 s ASN 52 CO 0.88 -0.49 1.63 0.00 -3.72 0.00 0.00 177.10 175.40 2hg3 n GLN 53 N 4.78 0.47 0.00 0.43 1.13 -1.26 -4.98 117.38 117.95 2hg3 n GLN 53 Ca -0.08 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.74 2hg3 n GLN 53 Cb 0.43 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.28 2hg3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hg3 n GLY 54 N 1.39 0.67 0.01 1.08 0.00 -1.26 -4.74 105.19 102.34 2hg3 n GLY 54 Ca 0.10 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.34 2hg3 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hg3 n PRO 55 N 1.07 0.07 -3.32 1.61 -0.04 -1.26 -4.79 135.00 128.35 2hg3 n PRO 55 Ca 0.00 -0.03 -0.38 0.00 -0.04 0.00 0.00 63.50 63.05 2hg3 n PRO 55 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2hg3 n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2hg3 s PHE 56 N -2.95 3.40 0.70 0.54 0.08 -1.26 -5.07 117.98 113.41 2hg3 s PHE 56 Ca 0.14 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 57.79 2hg3 s PHE 56 Cb 0.18 -2.58 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2hg3 s PHE 56 CO 0.62 -0.01 1.09 -1.25 -0.10 0.00 0.00 175.22 175.57 2hg3 s PRO 57 N 1.32 2.88 0.32 0.24 0.04 -1.26 -5.02 135.00 133.52 2hg3 s PRO 57 Ca 0.22 0.51 -0.28 0.00 0.04 0.00 0.00 61.00 61.49 2hg3 s PRO 57 Cb -0.15 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2hg3 s PRO 57 CO 0.09 -1.03 1.11 -0.51 0.04 0.00 0.00 177.00 176.70 2hg3 s LEU 58 N -5.37 4.41 0.71 -3.56 1.43 -1.26 -4.83 118.68 110.21 2hg3 s LEU 58 Ca 0.58 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.81 2hg3 s LEU 58 Cb -0.11 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.33 2hg3 s LEU 58 CO 0.52 -0.31 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 2hg3 s PRO 59 N -1.80 2.65 0.26 1.29 0.04 -1.26 -4.98 135.00 131.20 2hg3 s PRO 59 Ca 0.49 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 2hg3 s PRO 59 Cb -0.30 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.17 2hg3 s PRO 59 CO 0.38 -1.34 1.56 1.17 0.04 0.00 0.00 177.00 178.82 2hg3 n LYS 60 N -3.04 2.52 -1.69 4.56 4.81 -1.26 -4.61 118.16 119.45 2hg3 n LYS 60 Ca 0.09 0.90 -0.33 0.00 -0.87 0.00 0.00 58.31 58.09 2hg3 n LYS 60 Cb 0.53 -2.66 0.06 0.00 0.02 0.00 0.00 35.03 32.98 2hg3 n LYS 60 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2hg3 s PRO 61 N -0.23 2.64 0.17 1.64 0.04 -1.26 -4.76 135.00 133.25 2hg3 s PRO 61 Ca 0.67 1.49 0.10 0.00 0.04 0.00 0.00 61.00 63.30 2hg3 s PRO 61 Cb -0.54 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2hg3 s PRO 61 CO 0.46 -1.39 -0.22 -1.59 0.04 0.00 0.00 177.00 174.30 2hg3 s LYS 62 N -4.03 1.40 -0.14 4.56 -2.85 -0.53 -4.95 119.74 113.20 2hg3 s LYS 62 Ca 0.69 -1.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.23 2hg3 s LYS 62 Cb -0.23 -1.66 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 2hg3 s LYS 62 CO 0.42 0.36 -0.20 0.99 0.10 0.00 0.00 175.35 177.02 2hg3 s THR 63 N -1.68 2.32 -0.13 3.79 2.01 -1.26 -1.58 115.64 119.12 2hg3 s THR 63 Ca 0.17 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 2hg3 s THR 63 Cb -0.08 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 2hg3 s THR 63 CO 0.08 0.54 0.50 -0.36 -0.69 0.00 0.00 174.62 174.69 2hg3 s PHE 64 N 0.71 3.50 -0.24 4.92 0.08 0.28 -4.93 117.98 122.29 2hg3 s PHE 64 Ca -0.09 0.90 -0.21 0.00 0.12 0.00 0.00 56.93 57.65 2hg3 s PHE 64 Cb -0.16 -2.58 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 2hg3 s PHE 64 CO 0.01 0.13 0.65 0.42 -0.10 0.00 0.00 175.22 176.33 2hg3 s ILE 65 N 0.76 4.97 0.08 0.64 1.01 -1.26 -0.97 121.20 126.44 2hg3 s ILE 65 Ca 0.26 1.19 -0.13 0.00 0.00 0.00 0.00 60.65 61.97 2hg3 s ILE 65 Cb -0.15 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.30 2hg3 s ILE 65 CO 0.11 0.03 0.47 -0.76 0.00 0.00 0.00 174.94 174.79 2hg3 s LEU 66 N 2.43 4.39 1.05 2.97 1.43 0.77 -5.00 118.68 126.72 2hg3 s LEU 66 Ca 0.28 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 2hg3 s LEU 66 Cb -0.16 -2.98 0.22 0.00 0.03 0.00 0.00 46.19 43.30 2hg3 s LEU 66 CO 0.09 0.19 1.08 -2.84 0.23 0.00 0.00 176.35 175.10 2hg3 s PRO 67 N -1.67 0.05 -1.78 1.29 0.02 -1.26 -4.07 135.00 127.58 2hg3 s PRO 67 Ca 0.32 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.90 2hg3 s PRO 67 Cb -0.15 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.68 2hg3 s PRO 67 CO 0.17 -3.00 0.00 0.72 -0.33 0.00 0.00 177.00 174.56 2hg3 n HIS 68 N -4.37 -0.93 -1.03 6.54 8.25 -1.26 -1.88 115.22 120.54 2hg3 n HIS 68 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2hg3 n HIS 68 Cb 0.57 -3.84 -0.00 0.00 1.12 0.00 0.00 29.99 27.83 2hg3 n HIS 68 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hg3 n GLY 69 N -0.94 0.49 0.14 -1.41 0.00 -1.26 -4.90 105.19 97.31 2hg3 n GLY 69 Ca -0.24 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.57 2hg3 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hg3 n ARG 70 N -2.68 1.20 0.00 1.61 5.12 -0.79 -5.01 116.66 116.11 2hg3 n ARG 70 Ca -0.01 -0.28 0.00 0.00 -1.93 0.00 0.00 57.85 55.63 2hg3 n ARG 70 Cb 0.07 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 2hg3 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hg3 n GLY 71 N 1.04 0.09 3.26 -0.13 0.00 -1.26 -4.90 105.19 103.29 2hg3 n GLY 71 Ca 0.22 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 2hg3 n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg3 s THR 72 N 0.00 0.88 -0.09 2.61 -4.23 -1.26 -0.16 115.64 113.39 2hg3 s THR 72 Ca 0.00 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2hg3 s THR 72 Cb 0.00 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.81 2hg3 s THR 72 CO 0.00 -0.56 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.19 2hg3 s LEU 73 N -3.19 1.51 -0.20 4.79 2.96 -0.14 -4.93 118.68 119.48 2hg3 s LEU 73 Ca 0.22 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2hg3 s LEU 73 Cb 0.05 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 2hg3 s LEU 73 CO 0.03 -0.03 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.07 2hg3 s THR 74 N 1.12 3.19 0.01 3.68 2.01 -1.26 -0.55 115.64 123.83 2hg3 s THR 74 Ca -0.05 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.40 2hg3 s THR 74 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.93 2hg3 s THR 74 CO -0.02 0.45 -0.05 0.68 -0.69 0.00 0.00 174.62 174.99 2hg3 s VAL 75 N 1.30 0.36 0.56 3.82 -7.23 -0.62 -3.75 120.40 114.84 2hg3 s VAL 75 Ca 0.04 -0.36 -0.17 0.00 -1.81 0.00 0.00 61.98 59.67 2hg3 s VAL 75 Cb -0.14 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.41 2hg3 s VAL 75 CO -0.03 -0.01 1.07 -2.16 -0.31 0.00 0.00 175.10 173.66 2hg3 s PRO 76 N -0.40 3.40 0.25 4.82 0.04 -1.26 -1.46 135.00 140.38 2hg3 s PRO 76 Ca -0.01 1.34 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 2hg3 s PRO 76 Cb -0.03 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2hg3 s PRO 76 CO -0.00 -0.76 0.34 0.41 0.04 0.00 0.00 177.00 177.03 2hg3 n GLY 77 N -0.54 2.40 3.68 0.56 0.00 -1.25 -4.80 105.19 105.25 2hg3 n GLY 77 Ca 0.10 -1.54 -0.51 0.00 0.00 0.00 0.00 46.02 44.07 2hg3 n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hg3 n PRO 78 N -0.40 1.85 -3.52 1.61 -0.02 -1.26 -4.92 135.00 128.34 2hg3 n PRO 78 Ca 0.00 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2hg3 n PRO 78 Cb 0.41 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2hg3 n PRO 78 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hg3 s GLU 79 N 4.07 3.72 0.00 -0.52 0.41 -1.26 -5.07 118.70 120.05 2hg3 s GLU 79 Ca 0.95 0.12 0.00 0.00 -0.41 0.00 0.00 54.97 55.63 2hg3 s GLU 79 Cb -0.80 -2.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 2hg3 s GLU 79 CO 0.56 0.37 0.00 0.45 -0.49 0.00 0.00 175.26 176.15 2hg3 n SER 80 N -0.07 0.00 0.05 -0.19 2.88 -1.26 -5.04 113.62 109.98 2hg3 n SER 80 Ca -0.01 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.67 2hg3 n SER 80 Cb 0.52 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.59 2hg3 n SER 80 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2hg3 h GLU 81 N 0.00 0.13 -5.35 -1.46 4.39 -2.01 -3.47 114.58 106.81 2hg3 h GLU 81 Ca 0.00 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 2hg3 h GLU 81 Cb 0.00 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.53 2hg3 h GLU 81 CO 0.00 0.09 -0.50 -0.25 -1.16 0.00 0.00 179.01 177.18 2hg3 n ASP 82 N -4.45 -3.37 -3.48 1.42 8.00 -1.26 -4.43 116.55 108.98 2hg3 n ASP 82 Ca 0.06 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.13 2hg3 n ASP 82 Cb 0.38 -2.82 -0.03 0.00 -0.02 0.00 0.00 41.12 38.62 2hg3 n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hg3 s ARG 83 N -5.90 1.06 0.49 -1.24 1.70 -1.26 -4.90 118.95 108.90 2hg3 s ARG 83 Ca 0.35 -0.16 -0.20 0.00 -0.47 0.00 0.00 55.73 55.24 2hg3 s ARG 83 Cb -0.19 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 2hg3 s ARG 83 CO 0.43 -0.42 1.05 -1.25 -1.08 0.00 0.00 175.30 174.03 2hg3 s PRO 84 N -2.62 3.76 -0.38 3.89 0.05 -1.26 -5.02 135.00 133.41 2hg3 s PRO 84 Ca -0.02 1.39 0.03 0.00 0.05 0.00 0.00 61.00 62.45 2hg3 s PRO 84 Cb -0.01 -2.09 0.11 0.00 0.05 0.00 0.00 34.50 32.56 2hg3 s PRO 84 CO -0.04 -0.47 0.12 0.42 0.05 0.00 0.00 177.00 177.08 2hg3 s ILE 85 N -1.95 2.05 -0.41 0.56 -1.09 -1.26 -5.03 121.20 114.08 2hg3 s ILE 85 Ca 0.68 -2.44 -0.21 0.00 -2.23 0.00 0.00 60.65 56.45 2hg3 s ILE 85 Cb -0.17 -2.49 -0.21 0.00 -1.58 0.00 0.00 42.46 38.00 2hg3 s ILE 85 CO 0.21 -0.68 1.71 0.00 -1.23 0.00 0.00 174.94 174.95 2hg3 n ALA 86 N 4.03 2.28 -2.56 9.38 0.00 -1.26 -4.85 120.51 127.52 2hg3 n ALA 86 Ca 0.04 -2.55 -0.09 0.00 0.00 0.00 0.00 53.44 50.84 2hg3 n ALA 86 Cb 0.39 -3.47 -0.11 0.00 0.00 0.00 0.00 19.45 16.26 2hg3 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hg3 s LEU 87 N 0.47 2.36 0.04 0.00 1.43 -1.26 -2.15 118.68 119.57 2hg3 s LEU 87 Ca 0.53 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.92 2hg3 s LEU 87 Cb 0.12 0.08 -0.02 0.00 0.03 0.00 0.00 46.19 46.40 2hg3 s LEU 87 CO 0.17 -0.41 -0.10 0.00 0.23 0.00 0.00 176.35 176.25 2hg3 s ALA 88 N -2.54 0.76 0.67 4.21 0.00 -0.39 -4.88 121.76 119.59 2hg3 s ALA 88 Ca -0.04 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 2hg3 s ALA 88 Cb -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2hg3 s ALA 88 CO -0.04 0.09 1.01 0.54 0.00 0.00 0.00 175.76 177.35 2hg3 n ARG 89 N 1.83 0.74 -0.03 0.00 1.74 -1.26 -1.01 116.66 118.67 2hg3 n ARG 89 Ca -0.20 0.30 0.01 0.00 -0.77 0.00 0.00 57.85 57.20 2hg3 n ARG 89 Cb 0.55 -2.24 0.03 0.00 -1.02 0.00 0.00 32.46 29.77 2hg3 n ARG 89 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2hg3 n THR 90 N -2.14 0.80 -3.90 0.55 -2.24 -1.20 -4.76 114.28 101.40 2hg3 n THR 90 Ca 0.14 -0.90 -0.10 0.00 -2.27 0.00 0.00 64.05 60.92 2hg3 n THR 90 Cb 0.48 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 2hg3 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hg3 s ALA 91 N -0.83 -0.26 -2.45 6.98 0.00 -1.26 -5.04 121.76 118.90 2hg3 s ALA 91 Ca 0.04 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.53 2hg3 s ALA 91 Cb 0.02 0.85 0.64 0.00 0.00 0.00 0.00 23.12 24.63 2hg3 s ALA 91 CO 0.03 -0.69 1.50 1.33 0.00 0.00 0.00 175.76 177.93 2hg3 n VAL 92 N -0.25 0.23 -4.24 0.00 0.24 -1.26 -4.94 118.33 108.11 2hg3 n VAL 92 Ca -0.08 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.63 2hg3 n VAL 92 Cb 0.63 0.68 -0.10 0.00 -1.47 0.00 0.00 33.84 33.58 2hg3 n VAL 92 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2hg3 s SER 93 N -1.66 0.77 0.52 -1.34 1.04 -1.26 -5.15 113.70 106.63 2hg3 s SER 93 Ca 0.34 -1.31 -0.23 0.00 0.48 0.00 0.00 55.95 55.24 2hg3 s SER 93 Cb 0.20 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 2hg3 s SER 93 CO 0.29 -0.72 1.31 -0.62 0.98 0.00 0.00 173.24 174.48 2hg3 n GLU 94 N -0.30 1.72 0.00 4.02 -0.58 -1.26 -4.21 120.64 120.03 2hg3 n GLU 94 Ca -0.02 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 2hg3 n GLU 94 Cb 0.65 -2.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.01 2hg3 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hg3 n GLY 95 N 0.80 0.56 3.97 0.62 0.00 -1.26 -5.09 105.19 104.79 2hg3 n GLY 95 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2hg3 n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg3 s PHE 96 N -2.00 3.34 0.96 1.61 0.40 -1.26 -5.11 117.98 115.92 2hg3 s PHE 96 Ca 0.00 0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 2hg3 s PHE 96 Cb 0.00 -1.87 0.16 0.00 0.51 0.00 0.00 43.02 41.82 2hg3 s PHE 96 CO 0.00 0.13 1.09 -2.14 0.70 0.00 0.00 175.22 175.00 2hg3 s PRO 97 N -4.20 0.77 -0.19 0.24 0.02 -1.26 -4.88 135.00 125.50 2hg3 s PRO 97 Ca 0.40 0.73 0.01 0.00 0.02 0.00 0.00 61.00 62.17 2hg3 s PRO 97 Cb -0.09 -1.76 0.03 0.00 0.02 0.00 0.00 34.50 32.69 2hg3 s PRO 97 CO 0.33 -2.55 -0.18 -1.01 -0.33 0.00 0.00 177.00 173.26 2hg3 s HIS 98 N -2.90 2.75 0.12 6.54 3.76 -1.26 -3.24 115.29 121.05 2hg3 s HIS 98 Ca 0.65 -1.68 -0.28 0.00 -0.15 0.00 0.00 55.06 53.59 2hg3 s HIS 98 Cb -0.19 -1.86 -0.06 0.00 1.11 0.00 0.00 32.58 31.57 2hg3 s HIS 98 CO 0.58 -0.80 0.89 0.00 -0.85 0.00 0.00 174.74 174.56 2hg3 s ALA 99 N 1.30 3.31 0.32 -1.40 0.00 -0.18 -4.71 121.76 120.40 2hg3 s ALA 99 Ca 0.03 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 2hg3 s ALA 99 Cb -0.14 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.69 2hg3 s ALA 99 CO -0.11 0.06 1.41 -2.30 0.00 0.00 0.00 175.76 174.82 2hg3 n PRO 100 N 2.50 2.34 0.05 0.00 -0.02 -1.26 -1.26 135.00 137.34 2hg3 n PRO 100 Ca -0.00 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.42 2hg3 n PRO 100 Cb 0.49 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.54 2hg3 n PRO 100 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2hg3 n THR 101 N 1.01 0.28 0.00 3.45 -2.24 -0.91 -4.86 114.28 111.01 2hg3 n THR 101 Ca 0.06 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2hg3 n THR 101 Cb 0.36 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 2hg3 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hg3 n GLY 102 N 1.33 5.38 3.60 3.38 0.00 -1.26 -5.07 105.19 112.54 2hg3 n GLY 102 Ca 0.02 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2hg3 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hg3 s ASP 103 N 1.00 6.66 0.40 1.61 -1.08 -1.26 -4.95 116.67 119.04 2hg3 s ASP 103 Ca 0.00 0.57 0.12 0.00 -0.52 0.00 0.00 52.55 52.72 2hg3 s ASP 103 Cb 0.00 -2.44 0.82 0.00 -1.46 0.00 0.00 42.92 39.85 2hg3 s ASP 103 CO 0.00 -0.76 1.90 1.55 0.52 0.00 0.00 175.17 178.38 2hg3 h PRO 104 N 8.36 0.07 0.25 4.34 0.13 -1.94 0.36 132.00 143.57 2hg3 h PRO 104 Ca -0.24 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2hg3 h PRO 104 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2hg3 h PRO 104 CO 0.94 0.32 -0.12 0.52 -0.23 0.00 0.00 178.00 179.43 2hg3 h MET 105 N 0.06 -0.32 -0.43 0.86 2.86 -1.92 0.16 114.93 116.21 2hg3 h MET 105 Ca 0.01 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2hg3 h MET 105 Cb 0.48 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2hg3 h MET 105 CO 0.03 -0.14 0.07 0.87 1.06 0.00 0.00 176.91 178.81 2hg3 h LYS 106 N -0.43 0.65 0.00 1.72 1.57 -1.86 -3.09 116.57 115.12 2hg3 h LYS 106 Ca -0.03 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2hg3 h LYS 106 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2hg3 h LYS 106 CO 0.06 0.61 -0.17 -0.25 -0.57 0.00 0.00 179.45 179.13 2hg3 n ASP 107 N -4.29 0.27 -3.21 0.86 8.00 0.09 -4.94 116.55 113.32 2hg3 n ASP 107 Ca 0.03 0.29 -0.17 0.00 0.71 0.00 0.00 54.79 55.65 2hg3 n ASP 107 Cb 0.22 -0.30 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 2hg3 n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hg3 n GLY 108 N 1.47 -0.31 3.58 0.44 0.00 0.00 -4.71 105.19 105.65 2hg3 n GLY 108 Ca 0.06 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2hg3 n GLY 108 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hg3 s VAL 109 N -3.31 2.19 0.00 1.61 -7.23 -0.95 -3.88 120.40 108.82 2hg3 s VAL 109 Ca 0.16 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2hg3 s VAL 109 Cb -0.07 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2hg3 s VAL 109 CO 0.65 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 2hg3 n GLY 110 N -0.87 0.13 0.00 2.32 0.00 -1.26 -1.77 105.19 103.74 2hg3 n GLY 110 Ca -0.05 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.11 2hg3 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hg3 n PRO 111 N 0.00 0.40 -0.45 1.61 -0.04 -1.26 -1.45 135.00 133.81 2hg3 n PRO 111 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2hg3 n PRO 111 Cb 0.00 -1.48 0.25 0.00 -0.04 0.00 0.00 33.50 32.23 2hg3 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hg3 n ALA 112 N -0.98 2.97 -1.79 0.55 0.00 -0.73 -1.89 120.51 118.65 2hg3 n ALA 112 Ca 0.09 -1.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.09 2hg3 n ALA 112 Cb 0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2hg3 n ALA 112 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hg3 s SER 113 N -0.74 6.07 0.11 0.00 0.01 -0.53 -4.00 113.70 114.63 2hg3 s SER 113 Ca 0.35 2.04 0.04 0.00 1.31 0.00 0.00 55.95 59.69 2hg3 s SER 113 Cb 0.23 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 2hg3 s SER 113 CO 0.16 -0.97 -0.10 -1.66 0.41 0.00 0.00 173.24 171.08 2hg3 s TRP 114 N -1.88 1.13 0.03 2.43 1.48 -1.25 -4.33 118.94 116.54 2hg3 s TRP 114 Ca 0.70 -0.71 0.01 0.00 -1.06 0.00 0.00 56.10 55.04 2hg3 s TRP 114 Cb -0.20 -0.60 -0.04 0.00 -1.16 0.00 0.00 33.47 31.47 2hg3 s TRP 114 CO 0.23 0.02 0.10 0.08 -4.06 0.00 0.00 176.95 173.32 2hg3 s VAL 115 N -2.82 4.77 -1.14 -0.66 1.01 -1.26 -5.00 120.40 115.31 2hg3 s VAL 115 Ca 0.10 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 2hg3 s VAL 115 Cb -0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2hg3 s VAL 115 CO -0.00 0.25 2.25 0.00 0.00 0.00 0.00 175.10 177.60 2hg3 n ALA 116 N 0.83 5.05 -1.22 5.51 0.00 -1.26 -4.82 120.51 124.60 2hg3 n ALA 116 Ca -0.11 -3.11 -0.29 0.00 0.00 0.00 0.00 53.44 49.93 2hg3 n ALA 116 Cb 0.52 -3.38 0.15 0.00 0.00 0.00 0.00 19.45 16.74 2hg3 n ALA 116 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hg3 s ARG 117 N 3.59 0.91 0.11 0.00 0.52 -1.26 -4.94 118.95 117.88 2hg3 s ARG 117 Ca 0.52 0.65 -0.36 0.00 -0.52 0.00 0.00 55.73 56.02 2hg3 s ARG 117 Cb 0.14 -1.78 -0.16 0.00 0.52 0.00 0.00 34.95 33.67 2hg3 s ARG 117 CO -0.01 -2.44 1.36 0.54 0.02 0.00 0.00 175.30 174.78 2hg3 n ARG 118 N -3.99 1.36 -1.12 3.54 1.74 -1.26 -4.18 116.66 112.74 2hg3 n ARG 118 Ca 0.06 0.49 -0.18 0.00 -0.77 0.00 0.00 57.85 57.45 2hg3 n ARG 118 Cb 0.56 -2.14 -0.14 0.00 -1.02 0.00 0.00 32.46 29.73 2hg3 n ARG 118 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2hg3 n ASP 119 N 2.61 5.90 -4.24 0.55 2.03 -1.26 -1.64 116.55 120.51 2hg3 n ASP 119 Ca 0.17 -2.59 -0.14 0.00 0.52 0.00 0.00 54.79 52.76 2hg3 n ASP 119 Cb 0.22 -1.41 -0.10 0.00 -0.72 0.00 0.00 41.12 39.10 2hg3 n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hg3 s LEU 120 N -0.28 2.33 0.44 -2.67 1.43 -1.26 -4.92 118.68 113.75 2hg3 s LEU 120 Ca 0.66 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 2hg3 s LEU 120 Cb 0.31 -0.17 -0.09 0.00 0.03 0.00 0.00 46.19 46.26 2hg3 s LEU 120 CO -0.04 -0.47 0.92 -2.16 0.23 0.00 0.00 176.35 174.83 2hg3 s PRO 121 N -3.84 4.07 0.17 1.29 0.05 -1.26 -0.73 135.00 134.76 2hg3 s PRO 121 Ca 0.20 0.95 -0.31 0.00 0.05 0.00 0.00 61.00 61.89 2hg3 s PRO 121 Cb 0.05 -2.22 -0.09 0.00 0.05 0.00 0.00 34.50 32.29 2hg3 s PRO 121 CO 0.02 -0.08 1.46 -2.00 0.05 0.00 0.00 177.00 176.45 2hg3 s GLU 122 N -3.49 4.28 0.23 4.56 2.12 -1.26 -4.87 118.70 120.27 2hg3 s GLU 122 Ca 0.59 2.23 0.01 0.00 0.36 0.00 0.00 54.97 58.16 2hg3 s GLU 122 Cb -0.10 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2hg3 s GLU 122 CO 0.21 -0.48 0.40 -0.51 -0.54 0.00 0.00 175.26 174.34 2hg3 s LEU 123 N 0.70 4.22 0.00 2.70 1.43 -1.26 -0.68 118.68 125.78 2hg3 s LEU 123 Ca 0.65 0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 54.05 2hg3 s LEU 123 Cb -0.40 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2hg3 s LEU 123 CO 0.34 -0.09 0.10 -0.90 0.23 0.00 0.00 176.35 176.03 2hg3 n ASP 124 N -1.06 0.13 0.25 2.29 5.68 0.60 -4.69 116.55 119.74 2hg3 n ASP 124 Ca -0.06 -1.11 0.10 0.00 -0.50 0.00 0.00 54.79 53.22 2hg3 n ASP 124 Cb 0.55 -0.06 0.64 0.00 -1.14 0.00 0.00 41.12 41.11 2hg3 n ASP 124 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2hg3 h GLY 125 N -0.06 0.00 -0.48 6.12 0.00 -2.00 0.90 103.07 107.55 2hg3 h GLY 125 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2hg3 h GLY 125 CO 0.03 0.00 -0.16 1.42 0.00 0.00 0.00 176.54 177.83 2hg3 n HIS 126 N -3.91 0.00 -0.63 5.60 8.25 -1.26 -4.95 115.22 118.33 2hg3 n HIS 126 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2hg3 n HIS 126 Cb 0.24 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.31 2hg3 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hg3 n GLY 127 N 1.30 0.65 3.91 -1.41 0.00 0.31 -5.07 105.19 104.87 2hg3 n GLY 127 Ca 0.14 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2hg3 n GLY 127 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hg3 s HIS 128 N -2.00 3.50 0.25 1.61 3.76 -1.26 -4.77 115.29 116.38 2hg3 s HIS 128 Ca 0.00 0.70 -0.31 0.00 -0.15 0.00 0.00 55.06 55.30 2hg3 s HIS 128 Cb 0.00 -2.17 -0.12 0.00 1.11 0.00 0.00 32.58 31.40 2hg3 s HIS 128 CO 0.00 0.02 1.66 0.09 -0.85 0.00 0.00 174.74 175.66 2hg3 n ASN 129 N -1.40 3.93 -0.13 1.40 3.02 -1.26 -0.29 115.26 120.53 2hg3 n ASN 129 Ca -0.01 1.10 -0.13 0.00 -0.03 0.00 0.00 54.58 55.52 2hg3 n ASN 129 Cb 0.54 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.11 2hg3 n ASN 129 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2hg3 h LYS 130 N 5.76 0.93 -5.21 3.52 3.64 -1.18 -3.44 116.57 120.60 2hg3 h LYS 130 Ca -0.45 -0.46 -0.66 0.00 -1.27 0.00 0.00 60.65 57.82 2hg3 h LYS 130 Cb 1.21 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.75 2hg3 h LYS 130 CO 0.87 1.11 -0.77 0.42 -2.27 0.00 0.00 179.45 178.82 2hg3 s ILE 131 N -4.49 3.01 0.04 2.00 1.01 -1.26 -0.95 121.20 120.56 2hg3 s ILE 131 Ca -0.11 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2hg3 s ILE 131 Cb 0.11 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2hg3 s ILE 131 CO 0.87 0.50 -0.06 -0.54 0.00 0.00 0.00 174.94 175.71 2hg3 s LYS 132 N 0.74 0.46 0.40 2.79 1.02 -0.66 -4.61 119.74 119.88 2hg3 s LYS 132 Ca -0.05 -0.73 -0.26 0.00 0.02 0.00 0.00 55.97 54.95 2hg3 s LYS 132 Cb -0.15 -0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 36.95 2hg3 s LYS 132 CO 0.01 0.01 1.31 -1.25 -0.92 0.00 0.00 175.35 174.51 2hg3 s PRO 133 N -1.67 3.98 0.42 -1.68 0.04 -1.26 -0.77 135.00 134.06 2hg3 s PRO 133 Ca -0.11 2.18 0.09 0.00 0.04 0.00 0.00 61.00 63.20 2hg3 s PRO 133 Cb -0.09 -2.78 0.91 0.00 0.04 0.00 0.00 34.50 32.59 2hg3 s PRO 133 CO -0.01 -0.49 2.03 1.98 0.04 0.00 0.00 177.00 180.56 2hg3 h MET 134 N 2.71 0.50 -0.62 4.56 4.05 -1.31 0.30 114.93 125.12 2hg3 h MET 134 Ca -0.50 -0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.01 2hg3 h MET 134 Cb 1.25 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.90 2hg3 h MET 134 CO 0.63 0.33 0.42 1.57 0.23 0.00 0.00 176.91 180.09 2hg3 h LYS 135 N 0.51 0.35 -0.63 0.39 2.10 -1.90 -0.54 116.57 116.85 2hg3 h LYS 135 Ca 0.20 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2hg3 h LYS 135 Cb 0.14 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2hg3 h LYS 135 CO -0.05 0.23 0.00 0.00 -2.00 0.00 0.00 179.45 177.63 2hg3 n ALA 136 N -2.53 2.52 -3.81 0.07 0.00 0.09 -4.82 120.51 112.03 2hg3 n ALA 136 Ca 0.11 -1.16 -0.34 0.00 0.00 0.00 0.00 53.44 52.05 2hg3 n ALA 136 Cb 0.43 -0.97 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 2hg3 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg3 s ALA 137 N -1.29 3.43 -0.18 0.00 0.00 -0.21 -4.95 121.76 118.56 2hg3 s ALA 137 Ca 0.43 -3.18 -0.40 0.00 0.00 0.00 0.00 51.96 48.81 2hg3 s ALA 137 Cb 0.23 -2.45 -0.16 0.00 0.00 0.00 0.00 23.12 20.74 2hg3 s ALA 137 CO 0.27 -2.04 1.59 0.00 0.00 0.00 0.00 175.76 175.59 2hg3 n ALA 138 N 3.47 -0.66 -0.98 0.00 0.00 -1.26 -1.29 120.51 119.79 2hg3 n ALA 138 Ca 0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2hg3 n ALA 138 Cb 0.36 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2hg3 n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hg3 n GLY 139 N 3.60 0.80 3.76 0.00 0.00 -1.26 -5.01 105.19 107.08 2hg3 n GLY 139 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2hg3 n GLY 139 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hg3 s PHE 140 N -3.26 3.62 0.10 1.61 0.40 -0.41 -5.06 117.98 114.98 2hg3 s PHE 140 Ca 0.00 1.01 -0.16 0.00 -0.60 0.00 0.00 56.93 57.18 2hg3 s PHE 140 Cb 0.00 -2.50 0.03 0.00 0.51 0.00 0.00 43.02 41.06 2hg3 s PHE 140 CO 0.00 0.34 0.39 -3.38 0.70 0.00 0.00 175.22 173.27 2hg3 s HIS 141 N -0.06 -0.19 0.13 0.36 -3.43 -1.26 -4.94 115.29 105.90 2hg3 s HIS 141 Ca 0.27 -0.07 -0.31 0.00 -0.80 0.00 0.00 55.06 54.14 2hg3 s HIS 141 Cb -0.16 0.23 -0.09 0.00 -1.43 0.00 0.00 32.58 31.12 2hg3 s HIS 141 CO 0.13 -0.66 1.48 0.08 -2.00 0.00 0.00 174.74 173.77 2hg3 s VAL 142 N -3.51 2.99 -0.19 -5.38 1.01 -1.26 -4.92 120.40 109.14 2hg3 s VAL 142 Ca 0.01 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.78 2hg3 s VAL 142 Cb 0.01 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 2hg3 s VAL 142 CO -0.10 0.05 0.29 -1.54 0.00 0.00 0.00 175.10 173.80 2hg3 n SER 143 N 4.07 1.82 -3.61 3.32 3.41 -1.26 -5.05 113.62 116.33 2hg3 n SER 143 Ca 0.13 -0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 2hg3 n SER 143 Cb 0.40 1.27 -0.06 0.00 -0.26 0.00 0.00 64.21 65.56 2hg3 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hg3 s ALA 144 N -2.36 -1.93 0.00 7.33 0.00 -1.26 -5.15 121.76 118.39 2hg3 s ALA 144 Ca -0.01 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2hg3 s ALA 144 Cb 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2hg3 s ALA 144 CO 0.40 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.29 2hg3 n GLY 145 N 1.64 -3.38 3.68 0.00 0.00 -1.26 -4.88 105.19 100.99 2hg3 n GLY 145 Ca -0.12 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 2hg3 n GLY 145 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hg3 s LYS 146 N -0.92 4.36 -0.25 1.61 2.47 -1.26 -4.98 119.74 120.77 2hg3 s LYS 146 Ca 0.00 1.10 -0.29 0.00 -1.56 0.00 0.00 55.97 55.23 2hg3 s LYS 146 Cb 0.00 -3.54 -0.03 0.00 -1.46 0.00 0.00 37.83 32.80 2hg3 s LYS 146 CO 0.00 -0.25 1.78 1.21 0.16 0.00 0.00 175.35 178.26 2hg3 s ASN 147 N 1.08 6.07 0.55 1.43 3.84 -1.26 -4.90 114.94 121.75 2hg3 s ASN 147 Ca 0.41 1.59 0.31 0.00 0.21 0.00 0.00 52.86 55.38 2hg3 s ASN 147 Cb -0.17 -2.53 1.58 0.00 -0.55 0.00 0.00 41.25 39.58 2hg3 s ASN 147 CO 0.16 -1.51 2.10 -0.65 -2.79 0.00 0.00 177.10 174.40 2hg3 h PRO 148 N 12.11 0.00 -6.35 0.43 0.11 -1.96 -3.44 132.00 132.90 2hg3 h PRO 148 Ca -0.36 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.21 2hg3 h PRO 148 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2hg3 h PRO 148 CO 1.00 0.08 1.03 0.42 -0.21 0.00 0.00 178.00 180.33 2hg3 s ILE 149 N -4.11 3.36 0.00 4.15 1.01 -1.26 -0.82 121.20 123.52 2hg3 s ILE 149 Ca -0.03 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2hg3 s ILE 149 Cb 0.12 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2hg3 s ILE 149 CO 0.55 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.07 2hg3 n GLY 150 N 4.05 3.05 3.77 6.18 0.00 0.58 -5.02 105.19 117.81 2hg3 n GLY 150 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2hg3 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hg3 s LEU 151 N 0.00 4.26 0.37 0.99 1.43 -0.00 -4.69 118.68 121.04 2hg3 s LEU 151 Ca 0.00 2.76 -0.25 0.00 -1.03 0.00 0.00 54.13 55.60 2hg3 s LEU 151 Cb 0.00 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 2hg3 s LEU 151 CO 0.00 -0.84 1.09 -2.16 0.23 0.00 0.00 176.35 174.67 2hg3 s PRO 152 N -2.16 4.23 -0.19 1.29 0.04 -1.26 -0.66 135.00 136.28 2hg3 s PRO 152 Ca 0.55 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 2hg3 s PRO 152 Cb -0.40 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 2hg3 s PRO 152 CO 0.53 -0.12 0.10 0.08 0.04 0.00 0.00 177.00 177.63 2hg3 s VAL 153 N -1.48 5.11 -0.14 -0.36 1.01 0.41 -0.72 120.40 124.22 2hg3 s VAL 153 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2hg3 s VAL 153 Cb -0.26 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2hg3 s VAL 153 CO 0.33 0.44 -0.15 -0.60 0.00 0.00 0.00 175.10 175.12 2hg3 s ARG 154 N 0.42 3.25 0.82 2.72 3.52 0.14 -0.12 118.95 129.70 2hg3 s ARG 154 Ca 0.06 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 2hg3 s ARG 154 Cb -0.12 -2.60 0.13 0.00 -1.56 0.00 0.00 34.95 30.80 2hg3 s ARG 154 CO -0.01 0.09 1.15 0.20 -0.81 0.00 0.00 175.30 175.92 2hg3 s GLY 155 N 0.64 1.72 0.09 8.12 0.00 -0.02 0.54 107.32 118.41 2hg3 s GLY 155 Ca -0.08 -1.12 0.18 0.00 0.00 0.00 0.00 44.72 43.70 2hg3 s GLY 155 CO 0.03 -0.54 1.57 0.00 0.00 0.00 0.00 173.10 174.16 2hg3 n ASP 157 N -1.77 0.36 -2.41 0.00 5.75 -1.24 -3.00 116.55 114.23 2hg3 n ASP 157 Ca 0.03 -1.85 -0.11 0.00 -0.01 0.00 0.00 54.79 52.86 2hg3 n ASP 157 Cb 0.20 -0.18 -0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2hg3 n ASP 157 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hg3 n LEU 158 N -0.29 -0.98 -4.69 -2.12 4.77 -0.08 -5.00 117.00 108.60 2hg3 n LEU 158 Ca 0.00 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 2hg3 n LEU 158 Cb 0.09 -1.98 -0.07 0.00 -2.33 0.00 0.00 43.42 39.13 2hg3 n LEU 158 CO 0.00 -0.13 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.03 2hg3 s GLU 159 N -4.95 2.49 -0.21 3.23 0.41 -1.24 -4.93 118.70 113.49 2hg3 s GLU 159 Ca 0.00 -1.21 -0.27 0.00 -0.41 0.00 0.00 54.97 53.08 2hg3 s GLU 159 Cb 0.00 -2.33 -0.00 0.00 -1.78 0.00 0.00 34.13 30.02 2hg3 s GLU 159 CO 0.00 0.41 0.93 0.42 -0.49 0.00 0.00 175.26 176.53 2hg3 s ILE 160 N -2.06 4.78 -0.61 -1.63 -1.09 -1.26 -0.84 121.20 118.49 2hg3 s ILE 160 Ca 0.30 1.80 0.23 0.00 -2.23 0.00 0.00 60.65 60.76 2hg3 s ILE 160 Cb -0.08 -4.21 -0.08 0.00 -1.58 0.00 0.00 42.46 36.50 2hg3 s ILE 160 CO 0.21 -0.09 1.08 0.00 -1.23 0.00 0.00 174.94 174.90 2hg3 n ALA 161 N 5.90 3.31 0.00 9.38 0.00 0.83 -4.93 120.51 135.00 2hg3 n ALA 161 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2hg3 n ALA 161 Cb 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2hg3 n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hg3 n GLY 162 N 1.36 -0.56 2.97 0.00 0.00 -1.22 -4.35 105.19 103.39 2hg3 n GLY 162 Ca 0.02 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 2hg3 n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hg3 s LYS 163 N -1.43 0.30 -0.06 1.61 -2.85 -0.64 -0.44 119.74 116.24 2hg3 s LYS 163 Ca 0.00 -0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2hg3 s LYS 163 Cb 0.00 -0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.64 2hg3 s LYS 163 CO 0.00 0.01 1.51 0.08 0.10 0.00 0.00 175.35 177.04 2hg3 s VAL 164 N -0.92 3.73 -0.50 1.79 1.01 0.17 -0.20 120.40 125.47 2hg3 s VAL 164 Ca -0.08 0.97 0.12 0.00 0.00 0.00 0.00 61.98 62.98 2hg3 s VAL 164 Cb -0.07 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 2hg3 s VAL 164 CO -0.00 -0.06 0.48 1.33 0.00 0.00 0.00 175.10 176.85 2hg3 n VAL 165 N 5.21 0.00 -3.63 2.92 0.24 0.44 -0.30 118.33 123.21 2hg3 n VAL 165 Ca 0.15 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 2hg3 n VAL 165 Cb 0.43 0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 2hg3 n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hg3 s ASP 166 N -2.29 -0.14 -0.10 -1.34 -1.08 -1.18 -4.94 116.67 105.60 2hg3 s ASP 166 Ca 0.03 -0.14 -0.03 0.00 -0.52 0.00 0.00 52.55 51.90 2hg3 s ASP 166 Cb 0.09 0.25 -0.03 0.00 -1.46 0.00 0.00 42.92 41.76 2hg3 s ASP 166 CO 0.50 -0.44 0.01 -0.63 0.52 0.00 0.00 175.17 175.13 2hg3 s ILE 167 N -2.68 4.39 -0.24 4.11 1.01 -1.26 -0.82 121.20 125.72 2hg3 s ILE 167 Ca 0.12 -0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2hg3 s ILE 167 Cb 0.01 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 2hg3 s ILE 167 CO -0.03 0.58 0.24 0.26 0.00 0.00 0.00 174.94 175.99 2hg3 s TRP 168 N -0.66 3.32 0.04 3.97 0.52 0.43 -0.75 118.94 125.81 2hg3 s TRP 168 Ca 0.11 0.33 0.06 0.00 0.02 0.00 0.00 56.10 56.63 2hg3 s TRP 168 Cb -0.12 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2hg3 s TRP 168 CO 0.02 0.00 -0.15 0.14 0.02 0.00 0.00 176.95 176.99 2hg3 s VAL 169 N 1.26 3.02 -0.42 4.03 -7.23 0.05 -0.40 120.40 120.71 2hg3 s VAL 169 Ca 0.11 -1.13 -0.29 0.00 -1.81 0.00 0.00 61.98 58.86 2hg3 s VAL 169 Cb -0.14 -2.30 0.02 0.00 0.56 0.00 0.00 36.38 34.51 2hg3 s VAL 169 CO 0.06 0.31 1.24 -0.62 -0.31 0.00 0.00 175.10 175.78 2hg3 s ASP 170 N -1.55 6.58 0.02 4.85 -1.08 0.57 -1.66 116.67 124.39 2hg3 s ASP 170 Ca 0.16 0.74 -0.27 0.00 -0.52 0.00 0.00 52.55 52.66 2hg3 s ASP 170 Cb -0.11 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.65 2hg3 s ASP 170 CO 0.07 -1.25 1.24 0.40 0.52 0.00 0.00 175.17 176.15 2hg3 h ILE 171 N 6.21 0.26 -0.45 4.11 1.08 -1.36 0.26 117.51 127.63 2hg3 h ILE 171 Ca -0.25 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 2hg3 h ILE 171 Cb 1.08 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 2hg3 h ILE 171 CO 1.09 0.03 0.28 1.55 -0.69 0.00 0.00 178.15 180.41 2hg3 h PRO 172 N -1.06 0.59 -0.01 2.37 0.13 -1.94 -2.68 132.00 129.41 2hg3 h PRO 172 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2hg3 h PRO 172 Cb 0.67 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2hg3 h PRO 172 CO 0.13 0.41 -0.44 0.39 -0.23 0.00 0.00 178.00 178.27 2hg3 n GLU 173 N -4.45 1.10 -3.66 0.86 1.02 -1.21 -4.99 120.64 109.31 2hg3 n GLU 173 Ca 0.04 -0.86 -0.27 0.00 -0.02 0.00 0.00 57.16 56.04 2hg3 n GLU 173 Cb 0.07 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.05 2hg3 n GLU 173 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2hg3 n GLN 174 N -0.19 -2.22 -3.98 3.49 6.02 0.92 -5.00 117.38 116.42 2hg3 n GLN 174 Ca 0.10 0.53 -0.08 0.00 -0.01 0.00 0.00 57.00 57.53 2hg3 n GLN 174 Cb 0.44 -4.56 -0.10 0.00 1.02 0.00 0.00 30.24 27.05 2hg3 n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hg3 s MET 175 N -5.85 0.59 -0.02 -1.09 0.23 -1.18 -4.98 119.30 107.00 2hg3 s MET 175 Ca 0.34 -0.92 -0.29 0.00 -1.03 0.00 0.00 55.69 53.79 2hg3 s MET 175 Cb -0.11 0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 33.38 2hg3 s MET 175 CO 0.84 -0.14 0.93 0.00 -2.03 0.00 0.00 175.02 174.63 2hg3 s ALA 176 N -3.05 3.21 -0.08 3.16 0.00 -1.26 -0.32 121.76 123.42 2hg3 s ALA 176 Ca -0.01 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2hg3 s ALA 176 Cb 0.02 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2hg3 s ALA 176 CO -0.07 -0.24 -0.05 0.54 0.00 0.00 0.00 175.76 175.95 2hg3 n ARG 177 N 3.96 0.97 -4.07 0.00 5.12 0.46 -4.83 116.66 118.27 2hg3 n ARG 177 Ca 0.05 0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.93 2hg3 n ARG 177 Cb 0.51 -1.17 -0.10 0.00 -1.16 0.00 0.00 32.46 30.53 2hg3 n ARG 177 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2hg3 s PHE 178 N -2.17 0.48 -0.15 -1.55 0.40 -1.03 -1.18 117.98 112.77 2hg3 s PHE 178 Ca -0.09 -0.95 -0.05 0.00 -0.60 0.00 0.00 56.93 55.23 2hg3 s PHE 178 Cb 0.03 -0.35 -0.03 0.00 0.51 0.00 0.00 43.02 43.17 2hg3 s PHE 178 CO 0.22 -0.34 0.02 -0.51 0.70 0.00 0.00 175.22 175.32 2hg3 s LEU 179 N -2.62 3.62 -0.23 -0.37 1.43 0.17 -0.43 118.68 120.25 2hg3 s LEU 179 Ca 0.02 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 2hg3 s LEU 179 Cb 0.04 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2hg3 s LEU 179 CO -0.08 0.24 0.36 -0.70 0.23 0.00 0.00 176.35 176.40 2hg3 s GLU 180 N -0.02 4.10 -0.16 1.70 2.12 0.00 -0.76 118.70 125.68 2hg3 s GLU 180 Ca 0.04 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2hg3 s GLU 180 Cb -0.13 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.68 2hg3 s GLU 180 CO 0.02 -0.12 -0.15 0.08 -0.54 0.00 0.00 175.26 174.55 2hg3 s VAL 181 N 1.57 2.62 0.07 3.70 1.01 0.55 -0.42 120.40 129.50 2hg3 s VAL 181 Ca 0.16 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 2hg3 s VAL 181 Cb -0.15 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 2hg3 s VAL 181 CO 0.08 0.51 0.75 -0.70 0.00 0.00 0.00 175.10 175.74 2hg3 s GLU 182 N 0.91 4.48 0.33 2.72 2.12 0.72 -1.36 118.70 128.63 2hg3 s GLU 182 Ca -0.03 1.05 0.07 0.00 0.36 0.00 0.00 54.97 56.41 2hg3 s GLU 182 Cb -0.15 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.90 2hg3 s GLU 182 CO -0.02 0.38 0.41 -0.51 -0.54 0.00 0.00 175.26 174.98 2hg3 s LEU 183 N -0.39 3.85 0.45 2.70 1.43 -0.04 -1.62 118.68 125.07 2hg3 s LEU 183 Ca 0.37 -0.29 0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2hg3 s LEU 183 Cb -0.21 -2.57 1.37 0.00 0.03 0.00 0.00 46.19 44.81 2hg3 s LEU 183 CO 0.23 -0.40 1.70 0.50 0.23 0.00 0.00 176.35 178.61 2hg3 h LYS 184 N 1.01 0.16 -0.04 1.70 3.64 -1.88 0.53 116.57 121.70 2hg3 h LYS 184 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2hg3 h LYS 184 Cb 1.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2hg3 h LYS 184 CO 0.55 0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 177.43 2hg3 n ASP 185 N -4.51 0.94 0.00 4.20 5.75 -1.26 -4.94 116.55 116.73 2hg3 n ASP 185 Ca 0.32 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2hg3 n ASP 185 Cb 1.27 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 2hg3 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hg3 n GLY 186 N 1.07 2.19 3.86 6.12 0.00 0.19 -5.05 105.19 113.57 2hg3 n GLY 186 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2hg3 n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hg3 s SER 187 N -1.93 3.65 0.22 1.61 1.04 -1.26 -4.72 113.70 112.30 2hg3 s SER 187 Ca 0.00 0.68 0.04 0.00 0.48 0.00 0.00 55.95 57.16 2hg3 s SER 187 Cb 0.00 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.01 2hg3 s SER 187 CO 0.00 -2.44 -0.05 0.42 0.98 0.00 0.00 173.24 172.16 2hg3 s THR 188 N -3.55 1.20 0.05 2.02 -4.23 -1.26 -0.86 115.64 109.02 2hg3 s THR 188 Ca 0.66 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2hg3 s THR 188 Cb -0.10 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2hg3 s THR 188 CO 0.52 -0.44 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.99 2hg3 s ARG 189 N -3.80 0.62 -0.01 3.99 1.81 -0.46 -4.89 118.95 116.21 2hg3 s ARG 189 Ca 0.25 -1.22 -0.13 0.00 -1.72 0.00 0.00 55.73 52.91 2hg3 s ARG 189 Cb 0.04 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.66 2hg3 s ARG 189 CO 0.07 -0.10 0.37 -0.51 -0.68 0.00 0.00 175.30 174.45 2hg3 s LEU 190 N -2.90 4.46 -0.11 2.53 1.43 -1.26 -0.33 118.68 122.49 2hg3 s LEU 190 Ca 0.07 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2hg3 s LEU 190 Cb 0.07 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2hg3 s LEU 190 CO -0.09 0.33 -0.23 -0.76 0.23 0.00 0.00 176.35 175.82 2hg3 s LEU 191 N -1.11 2.08 0.28 1.79 2.01 0.06 -4.96 118.68 118.83 2hg3 s LEU 191 Ca 0.23 -0.56 -0.30 0.00 0.01 0.00 0.00 54.13 53.51 2hg3 s LEU 191 Cb -0.16 -1.40 -0.13 0.00 0.01 0.00 0.00 46.19 44.51 2hg3 s LEU 191 CO 0.12 0.14 1.45 -2.65 1.01 0.00 0.00 176.35 176.42 2hg3 n PRO 192 N 3.61 2.29 0.10 1.29 -0.02 -1.26 -0.65 135.00 140.35 2hg3 n PRO 192 Ca -0.19 0.81 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2hg3 n PRO 192 Cb 0.53 -2.50 0.25 0.00 -0.02 0.00 0.00 33.50 31.76 2hg3 n PRO 192 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2hg3 h MET 193 N 4.02 0.24 0.00 -0.52 4.05 -1.47 -1.30 114.93 119.94 2hg3 h MET 193 Ca -0.46 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 2hg3 h MET 193 Cb 1.26 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 2hg3 h MET 193 CO 0.74 0.58 0.00 1.04 0.23 0.00 0.00 176.91 179.50 2hg3 n GLN 194 N -4.06 0.02 -0.33 0.39 3.00 -1.26 -3.03 117.38 112.11 2hg3 n GLN 194 Ca -0.01 0.33 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 2hg3 n GLN 194 Cb 0.45 -1.50 0.20 0.00 0.00 0.00 0.00 30.24 29.39 2hg3 n GLN 194 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2hg3 n MET 195 N -1.47 2.00 -4.09 -1.09 2.81 -0.49 -5.01 117.12 109.78 2hg3 n MET 195 Ca 0.02 -2.80 -0.14 0.00 -1.81 0.00 0.00 57.70 52.98 2hg3 n MET 195 Cb 0.09 -1.68 -0.12 0.00 -0.71 0.00 0.00 33.22 30.81 2hg3 n MET 195 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2hg3 s VAL 196 N -2.92 0.56 -0.27 2.03 -7.23 -1.17 -4.45 120.40 106.95 2hg3 s VAL 196 Ca 0.38 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 2hg3 s VAL 196 Cb 0.32 -0.60 0.02 0.00 0.56 0.00 0.00 36.38 36.68 2hg3 s VAL 196 CO 0.04 -0.29 -0.00 -0.75 -0.31 0.00 0.00 175.10 173.79 2hg3 s LYS 197 N -1.36 2.91 -0.28 4.82 2.47 -0.17 -4.97 119.74 123.16 2hg3 s LYS 197 Ca -0.08 -0.95 -0.28 0.00 -1.56 0.00 0.00 55.97 53.11 2hg3 s LYS 197 Cb -0.09 -3.15 0.01 0.00 -1.46 0.00 0.00 37.83 33.14 2hg3 s LYS 197 CO 0.00 -0.43 1.01 0.08 0.16 0.00 0.00 175.35 176.18 2hg3 s VAL 198 N 1.39 4.63 0.47 4.02 1.01 -1.26 -1.24 120.40 129.41 2hg3 s VAL 198 Ca 0.01 1.77 0.06 0.00 0.00 0.00 0.00 61.98 63.82 2hg3 s VAL 198 Cb -0.17 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2hg3 s VAL 198 CO -0.01 -0.31 0.26 -1.10 0.00 0.00 0.00 175.10 173.94 2hg3 s GLN 199 N 3.34 2.28 0.53 2.72 -0.21 0.32 -5.00 119.66 123.64 2hg3 s GLN 199 Ca 0.43 -1.92 0.25 0.00 0.02 0.00 0.00 55.36 54.14 2hg3 s GLN 199 Cb -0.14 -2.03 1.47 0.00 1.00 0.00 0.00 33.01 33.32 2hg3 s GLN 199 CO 0.11 -0.32 2.12 0.66 -2.12 0.00 0.00 175.29 175.74 2hg3 h SER 200 N 1.14 0.00 0.00 5.90 4.64 -2.01 -3.21 113.55 120.01 2hg3 h SER 200 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2hg3 h SER 200 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2hg3 h SER 200 CO 0.64 0.09 -0.08 -0.46 -0.87 0.00 0.00 176.83 176.15 2hg3 n ASN 201 N -3.87 0.02 -3.71 4.97 6.94 -1.26 -5.09 115.26 113.26 2hg3 n ASN 201 Ca -0.02 -1.18 -0.05 0.00 -0.02 0.00 0.00 54.58 53.31 2hg3 n ASN 201 Cb 0.18 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 37.56 2hg3 n ASN 201 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2hg3 s ARG 202 N -0.01 1.14 -0.14 -3.83 1.70 -1.21 -4.60 118.95 112.00 2hg3 s ARG 202 Ca 0.00 -0.60 -0.01 0.00 -0.47 0.00 0.00 55.73 54.65 2hg3 s ARG 202 Cb 0.00 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.77 2hg3 s ARG 202 CO 0.00 -0.52 -0.10 0.08 -1.08 0.00 0.00 175.30 173.68 2hg3 s VAL 203 N -3.28 3.29 -0.14 4.99 1.01 0.10 -0.52 120.40 125.85 2hg3 s VAL 203 Ca 0.11 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2hg3 s VAL 203 Cb -0.01 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2hg3 s VAL 203 CO 0.00 0.51 -0.02 -2.28 0.00 0.00 0.00 175.10 173.31 2hg3 s HIS 204 N 0.46 3.08 -0.37 5.22 2.46 -0.37 0.25 115.29 126.02 2hg3 s HIS 204 Ca -0.08 -0.11 0.03 0.00 0.47 0.00 0.00 55.06 55.38 2hg3 s HIS 204 Cb -0.15 -1.92 0.11 0.00 -0.13 0.00 0.00 32.58 30.48 2hg3 s HIS 204 CO 0.04 0.13 0.10 0.08 -2.47 0.00 0.00 174.74 172.62 2hg3 s VAL 205 N -0.00 2.04 0.25 0.89 1.01 0.19 -1.00 120.40 123.78 2hg3 s VAL 205 Ca 0.02 -2.34 -0.05 0.00 0.00 0.00 0.00 61.98 59.61 2hg3 s VAL 205 Cb -0.13 -2.49 0.22 0.00 0.00 0.00 0.00 36.38 33.97 2hg3 s VAL 205 CO 0.02 -0.66 1.88 -1.13 0.00 0.00 0.00 175.10 175.21 2hg3 h ASN 206 N 7.48 1.06 0.04 3.32 -1.24 -1.82 -2.82 115.58 121.61 2hg3 h ASN 206 Ca -0.06 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 56.85 2hg3 h ASN 206 Cb 1.00 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.77 2hg3 h ASN 206 CO 0.53 0.85 -0.03 0.00 -1.29 0.00 0.00 177.43 177.50 2hg3 h ALA 207 N 1.32 1.75 -3.79 1.57 0.00 -1.87 -3.39 119.26 114.86 2hg3 h ALA 207 Ca 0.30 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.78 2hg3 h ALA 207 Cb 0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.50 2hg3 h ALA 207 CO -0.05 0.03 -0.78 -0.51 0.00 0.00 0.00 179.25 177.95 2hg3 s LEU 208 N -8.40 1.76 0.61 0.00 1.43 -1.22 -3.57 118.68 109.30 2hg3 s LEU 208 Ca -0.05 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 2hg3 s LEU 208 Cb 0.16 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 2hg3 s LEU 208 CO 0.62 0.05 1.05 -0.94 0.23 0.00 0.00 176.35 177.36 2hg3 s SER 209 N 0.23 5.75 0.25 2.29 1.04 -1.26 -1.08 113.70 120.92 2hg3 s SER 209 Ca -0.03 1.75 -0.04 0.00 0.48 0.00 0.00 55.95 58.11 2hg3 s SER 209 Cb -0.08 -2.52 0.41 0.00 0.10 0.00 0.00 66.02 63.92 2hg3 s SER 209 CO 0.00 -1.19 1.82 0.77 0.98 0.00 0.00 173.24 175.62 2hg3 h SER 210 N 0.19 0.72 0.03 7.02 4.64 -1.87 0.19 113.55 124.47 2hg3 h SER 210 Ca -0.46 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2hg3 h SER 210 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2hg3 h SER 210 CO 0.58 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 176.05 2hg3 n ASP 211 N -4.71 0.46 -0.59 4.97 5.75 -1.26 -2.50 116.55 118.66 2hg3 n ASP 211 Ca 0.14 0.71 0.12 0.00 -0.01 0.00 0.00 54.79 55.76 2hg3 n ASP 211 Cb 0.28 -0.77 0.23 0.00 -1.03 0.00 0.00 41.12 39.83 2hg3 n ASP 211 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hg3 n LEU 212 N -2.11 2.01 -0.05 -2.12 4.77 0.05 -4.42 117.00 115.13 2hg3 n LEU 212 Ca -0.01 -0.67 -0.15 0.00 -0.03 0.00 0.00 56.01 55.15 2hg3 n LEU 212 Cb 0.03 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2hg3 n LEU 212 CO 0.08 0.35 0.40 -0.26 -1.33 0.00 0.00 177.39 176.63 2hg3 h PHE 213 N 2.89 1.04 -0.51 -1.77 -1.00 -1.59 -2.82 116.94 113.19 2hg3 h PHE 213 Ca 0.00 -0.39 0.12 0.00 2.81 0.00 0.00 57.97 60.50 2hg3 h PHE 213 Cb 0.72 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2hg3 h PHE 213 CO 0.00 1.22 0.35 0.00 -1.61 0.00 0.00 178.31 178.27 2hg3 h ALA 214 N 0.69 2.24 -0.00 2.45 0.00 -1.80 -2.03 119.26 120.81 2hg3 h ALA 214 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hg3 h ALA 214 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2hg3 h ALA 214 CO 0.13 -0.37 -0.15 0.41 0.00 0.00 0.00 179.25 179.26 2hg3 n GLY 215 N -1.58 -1.13 3.67 0.00 0.00 -1.07 -4.81 105.19 100.27 2hg3 n GLY 215 Ca 0.09 -0.24 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 2hg3 n GLY 215 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hg3 n ILE 216 N -1.18 0.03 -1.69 -0.61 5.41 -0.77 -4.91 119.36 115.63 2hg3 n ILE 216 Ca 0.11 -0.01 -0.40 0.00 1.00 0.00 0.00 62.75 63.45 2hg3 n ILE 216 Cb 0.30 -1.51 0.02 0.00 -0.71 0.00 0.00 39.64 37.74 2hg3 n ILE 216 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2hg3 n PRO 217 N 3.34 1.75 -3.55 0.38 -0.02 -1.26 -5.02 135.00 130.62 2hg3 n PRO 217 Ca 0.17 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2hg3 n PRO 217 Cb 0.28 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 2hg3 n PRO 217 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2hg3 s THR 218 N -1.25 3.57 0.03 3.45 -4.23 -1.26 -4.76 115.64 111.18 2hg3 s THR 218 Ca 0.64 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.99 2hg3 s THR 218 Cb -0.49 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 2hg3 s THR 218 CO 0.56 -0.12 0.06 0.27 -0.54 0.00 0.00 174.62 174.84 2hg3 s ILE 219 N -2.28 4.54 0.10 2.99 -4.36 -1.26 -5.02 121.20 115.91 2hg3 s ILE 219 Ca 0.45 -0.57 -0.02 0.00 -0.26 0.00 0.00 60.65 60.24 2hg3 s ILE 219 Cb -0.07 -3.10 -0.25 0.00 1.25 0.00 0.00 42.46 40.29 2hg3 s ILE 219 CO 0.29 0.28 1.21 0.07 0.24 0.00 0.00 174.94 177.03 2hg3 h LYS 220 N 3.87 0.25 -5.76 0.37 2.10 -2.00 -3.42 116.57 111.98 2hg3 h LYS 220 Ca -0.48 -0.38 -0.68 0.00 -2.00 0.00 0.00 60.65 57.11 2hg3 h LYS 220 Cb 1.17 0.13 -0.30 0.00 -0.90 0.00 0.00 32.23 32.34 2hg3 h LYS 220 CO 0.62 1.15 -0.85 0.45 -2.00 0.00 0.00 179.45 178.82 2hg3 s SER 221 N -7.07 3.36 0.00 7.07 0.15 -1.26 -5.03 113.70 110.93 2hg3 s SER 221 Ca -0.04 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 56.38 2hg3 s SER 221 Cb 0.08 -1.12 1.28 0.00 -1.71 0.00 0.00 66.02 64.54 2hg3 s SER 221 CO 0.87 0.22 1.67 -0.81 1.20 0.00 0.00 173.24 176.39 2hg3 n PRO 222 N 3.12 0.65 -0.12 5.44 -0.04 -1.26 -3.00 135.00 139.79 2hg3 n PRO 222 Ca -0.18 0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 2hg3 n PRO 222 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 2hg3 n PRO 222 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2hg3 n THR 223 N -1.02 1.25 -3.72 0.52 -2.24 -1.26 -4.96 114.28 102.85 2hg3 n THR 223 Ca 0.16 -1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 60.37 2hg3 n THR 223 Cb 0.08 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 2hg3 n THR 223 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2hg3 s GLU 224 N -1.79 0.94 0.04 -0.78 -1.05 -1.16 -4.60 118.70 110.30 2hg3 s GLU 224 Ca 0.17 -0.70 0.08 0.00 -0.15 0.00 0.00 54.97 54.38 2hg3 s GLU 224 Cb 0.15 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2hg3 s GLU 224 CO 0.02 -0.34 -0.23 0.14 0.95 0.00 0.00 175.26 175.80 2hg3 s VAL 225 N -3.44 1.88 0.35 1.83 -7.23 -1.26 -4.52 120.40 108.01 2hg3 s VAL 225 Ca 0.01 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 2hg3 s VAL 225 Cb 0.02 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2hg3 s VAL 225 CO -0.09 0.30 0.55 0.42 -0.31 0.00 0.00 175.10 175.97 2hg3 s THR 226 N -0.78 4.93 0.31 5.32 -4.23 -1.26 -4.05 115.64 115.88 2hg3 s THR 226 Ca 0.09 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.07 2hg3 s THR 226 Cb -0.09 -3.79 0.21 0.00 1.34 0.00 0.00 72.50 70.17 2hg3 s THR 226 CO 0.02 -0.49 1.92 -0.07 -0.54 0.00 0.00 174.62 175.45 2hg3 h LEU 227 N 0.74 0.78 -0.67 4.79 3.38 -0.83 0.81 115.31 124.31 2hg3 h LEU 227 Ca -0.49 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.45 2hg3 h LEU 227 Cb 1.23 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2hg3 h LEU 227 CO 0.60 0.65 0.39 0.25 0.09 0.00 0.00 178.44 180.43 2hg3 h LEU 228 N 0.86 0.61 -0.46 1.67 5.85 -1.47 -1.93 115.31 120.44 2hg3 h LEU 228 Ca 0.22 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.81 2hg3 h LEU 228 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2hg3 h LEU 228 CO -0.03 0.40 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.86 2hg3 h GLU 229 N 0.74 0.97 -0.80 1.25 5.08 -1.57 -1.84 114.58 118.42 2hg3 h GLU 229 Ca 0.29 -0.45 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2hg3 h GLU 229 Cb 0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2hg3 h GLU 229 CO -0.15 1.12 0.53 0.93 -1.00 0.00 0.00 179.01 180.44 2hg3 h GLU 230 N 0.82 1.04 -0.10 2.33 5.08 -0.62 -1.31 114.58 121.82 2hg3 h GLU 230 Ca 0.09 -0.06 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 2hg3 h GLU 230 Cb 0.87 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2hg3 h GLU 230 CO 0.08 0.69 -0.86 0.22 -1.00 0.00 0.00 179.01 178.14 2hg3 h ASP 231 N 1.07 0.93 -0.17 1.42 3.58 -0.91 0.94 116.42 123.28 2hg3 h ASP 231 Ca 0.29 -0.67 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2hg3 h ASP 231 Cb -0.11 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.65 2hg3 h ASP 231 CO -0.07 1.46 0.09 0.11 -2.88 0.00 0.00 179.24 177.95 2hg3 h LYS 232 N 0.48 0.24 0.36 0.28 1.57 -1.08 0.15 116.57 118.58 2hg3 h LYS 232 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2hg3 h LYS 232 Cb 1.50 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 2hg3 h LYS 232 CO 0.17 0.26 -0.21 0.82 -0.57 0.00 0.00 179.45 179.93 2hg3 h ILE 233 N 0.17 0.56 -0.68 1.86 2.04 -1.17 -0.47 117.51 119.82 2hg3 h ILE 233 Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.85 2hg3 h ILE 233 Cb 0.09 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2hg3 h ILE 233 CO -0.01 0.00 0.14 0.00 0.00 0.00 0.00 178.15 178.28 2hg3 h GLY 235 N 1.07 -0.21 0.73 0.00 0.00 -0.66 -2.18 103.07 101.81 2hg3 h GLY 235 Ca 0.21 0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.79 2hg3 h GLY 235 CO 0.01 -0.17 0.07 -1.82 0.00 0.00 0.00 176.54 174.63 2hg3 h TYR 236 N -0.27 0.13 -0.22 5.60 3.20 -0.84 0.63 116.97 125.19 2hg3 h TYR 236 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2hg3 h TYR 236 Cb 0.36 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2hg3 h TYR 236 CO -0.24 0.05 -0.02 0.28 -1.64 0.00 0.00 178.16 176.59 2hg3 h VAL 237 N 0.19 1.27 -1.00 1.81 2.07 -1.37 -2.56 116.25 116.66 2hg3 h VAL 237 Ca 0.12 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.73 2hg3 h VAL 237 Cb 0.11 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2hg3 h VAL 237 CO -0.15 0.29 0.66 0.00 0.02 0.00 0.00 177.57 178.39 2hg3 h ALA 238 N 0.78 1.30 -0.64 1.67 0.00 -1.26 -2.17 119.26 118.94 2hg3 h ALA 238 Ca 0.06 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2hg3 h ALA 238 Cb 0.44 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2hg3 h ALA 238 CO 0.01 0.59 0.45 0.78 0.00 0.00 0.00 179.25 181.09 2hg3 h GLY 239 N 1.29 0.08 1.78 0.00 0.00 -0.14 -1.57 103.07 104.51 2hg3 h GLY 239 Ca 0.39 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.73 2hg3 h GLY 239 CO -0.11 0.01 0.08 -1.33 0.00 0.00 0.00 176.54 175.19 2hg3 h GLY 240 N 0.05 0.00 0.63 4.60 0.00 -1.17 -0.71 103.07 106.46 2hg3 h GLY 240 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.68 2hg3 h GLY 240 CO -0.02 0.00 0.03 1.41 0.00 0.00 0.00 176.54 177.97 2hg3 h LEU 241 N 0.00 -0.04 0.05 3.11 3.38 -1.33 0.38 115.31 120.86 2hg3 h LEU 241 Ca 0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2hg3 h LEU 241 Cb 0.21 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2hg3 h LEU 241 CO -0.00 0.02 -0.02 -0.03 0.09 0.00 0.00 178.44 178.49 2hg3 h MET 242 N 0.13 -0.07 0.00 1.13 4.05 -1.64 -3.34 114.93 115.19 2hg3 h MET 242 Ca 0.13 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2hg3 h MET 242 Cb 0.16 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2hg3 h MET 242 CO -0.20 0.52 -0.71 0.66 0.23 0.00 0.00 176.91 177.42 2hg3 n TYR 243 N -4.82 0.23 0.74 1.39 4.01 -0.31 -3.25 117.16 115.15 2hg3 n TYR 243 Ca -0.09 0.07 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 2hg3 n TYR 243 Cb 0.31 -0.40 0.11 0.00 -0.31 0.00 0.00 39.34 39.04 2hg3 n TYR 243 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hg3 n ALA 244 N -1.68 3.47 -0.29 -0.72 0.00 0.13 -4.63 120.51 116.79 2hg3 n ALA 244 Ca 0.04 -0.37 0.16 0.00 0.00 0.00 0.00 53.44 53.27 2hg3 n ALA 244 Cb 0.39 -1.04 0.31 0.00 0.00 0.00 0.00 19.45 19.12 2hg3 n ALA 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hg3 n ALA 245 N -1.70 0.55 -0.20 0.00 0.00 -1.20 0.05 120.51 118.01 2hg3 n ALA 245 Ca 0.03 0.90 -0.02 0.00 0.00 0.00 0.00 53.44 54.36 2hg3 n ALA 245 Cb 0.40 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 19.18 2hg3 n ALA 245 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2hg3 h PRO 246 N 0.00 -0.01 0.00 0.00 0.11 -1.85 -2.17 132.00 128.08 2hg3 h PRO 246 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2hg3 h PRO 246 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2hg3 h PRO 246 CO -0.76 -0.01 0.00 1.63 -0.21 0.00 0.00 178.00 178.65 2hg3 n LYS 247 N -5.41 0.35 -2.53 1.05 5.02 0.11 -4.83 118.16 111.91 2hg3 n LYS 247 Ca 0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.00 2hg3 n LYS 247 Cb 0.31 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 2hg3 n LYS 247 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2hg3 s ARG 248 N -2.65 4.00 0.00 1.97 3.52 -0.82 -3.66 118.95 121.31 2hg3 s ARG 248 Ca 0.26 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 2hg3 s ARG 248 Cb 0.20 -2.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 2hg3 s ARG 248 CO 0.47 -0.28 0.00 1.63 -0.81 0.00 0.00 175.30 176.31 2hg3 n LYS 249 N -0.46 4.36 0.00 5.12 5.02 -1.16 -4.98 118.16 126.05 2hg3 n LYS 249 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2hg3 n LYS 249 Cb 0.51 -0.37 0.00 0.00 -0.02 0.00 0.00 35.03 35.15 2hg3 n LYS 249 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33