#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hg3 s LEU 2 N 0.00 2.17 0.68 0.00 1.43 -1.26 -4.59 118.68 117.11 2hg3 s LEU 2 Ca 0.00 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2hg3 s LEU 2 Cb 0.00 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2hg3 s LEU 2 CO 0.00 0.24 1.09 0.18 0.23 0.00 0.00 176.35 178.09 2hg3 n LEU 3 N 1.77 4.46 -0.11 1.79 4.77 -1.26 -4.87 117.00 123.54 2hg3 n LEU 3 Ca -0.17 0.74 0.25 0.00 -0.03 0.00 0.00 56.01 56.80 2hg3 n LEU 3 Cb 0.52 -1.46 0.70 0.00 -2.33 0.00 0.00 43.42 40.85 2hg3 n LEU 3 CO 0.23 -1.64 1.23 0.77 -1.33 0.00 0.00 177.39 176.65 2hg3 h SER 4 N 0.08 0.02 -0.43 -1.43 4.64 -2.07 -1.61 113.55 112.74 2hg3 h SER 4 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2hg3 h SER 4 Cb 1.34 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2hg3 h SER 4 CO 0.49 0.01 0.00 2.22 -0.87 0.00 0.00 176.83 178.68 2hg3 n PHE 5 N -4.32 0.57 0.08 4.77 1.16 -1.26 -4.74 117.46 113.72 2hg3 n PHE 5 Ca 0.15 -0.38 -0.07 0.00 -1.87 0.00 0.00 57.45 55.28 2hg3 n PHE 5 Cb 0.81 -0.01 -0.07 0.00 -1.61 0.00 0.00 39.48 38.60 2hg3 n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2hg3 h GLU 6 N 3.34 0.06 -0.71 3.97 4.81 -1.64 -3.38 114.58 121.04 2hg3 h GLU 6 Ca 0.00 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2hg3 h GLU 6 Cb 0.84 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 2hg3 h GLU 6 CO 0.00 0.96 0.46 -0.09 -0.73 0.00 0.00 179.01 179.62 2hg3 h ARG 7 N 0.02 0.90 -0.04 1.92 2.43 -1.85 -0.65 114.38 117.11 2hg3 h ARG 7 Ca -0.03 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2hg3 h ARG 7 Cb 1.66 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2hg3 h ARG 7 CO 0.13 0.60 0.19 1.57 -1.51 0.00 0.00 179.97 180.95 2hg3 h LYS 8 N 0.93 0.00 0.00 0.20 2.10 -1.96 0.20 116.57 118.03 2hg3 h LYS 8 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2hg3 h LYS 8 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2hg3 h LYS 8 CO -0.08 0.00 -1.03 0.66 -2.00 0.00 0.00 179.45 177.00 2hg3 n TYR 9 N -3.12 0.15 -1.73 0.07 4.01 -0.26 -4.62 117.16 111.66 2hg3 n TYR 9 Ca -0.02 0.04 -0.40 0.00 -0.16 0.00 0.00 57.90 57.37 2hg3 n TYR 9 Cb 0.26 -0.31 -0.01 0.00 -0.31 0.00 0.00 39.34 38.96 2hg3 n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2hg3 n ARG 10 N -1.82 4.01 -3.78 -0.72 1.74 0.69 -4.90 116.66 111.89 2hg3 n ARG 10 Ca 0.02 -2.90 -0.20 0.00 -0.77 0.00 0.00 57.85 54.00 2hg3 n ARG 10 Cb 0.41 -2.78 -0.01 0.00 -1.02 0.00 0.00 32.46 29.05 2hg3 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2hg3 s VAL 11 N 0.66 4.85 0.55 1.55 -7.23 -1.26 -5.07 120.40 114.45 2hg3 s VAL 11 Ca 0.58 -0.97 -0.19 0.00 -1.81 0.00 0.00 61.98 59.59 2hg3 s VAL 11 Cb 0.17 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 2hg3 s VAL 11 CO -0.07 -0.28 1.14 -2.84 -0.31 0.00 0.00 175.10 172.74 2hg3 s PRO 12 N -4.06 3.32 0.00 4.82 0.02 -1.26 -4.99 135.00 132.84 2hg3 s PRO 12 Ca 0.38 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2hg3 s PRO 12 Cb -0.09 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.43 2hg3 s PRO 12 CO 0.30 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.50 2hg3 n GLY 13 N 0.18 3.13 0.00 0.52 0.00 -1.26 -5.06 105.19 102.70 2hg3 n GLY 13 Ca 0.12 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2hg3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hg3 n GLY 14 N -1.04 0.59 3.76 -0.02 0.00 -1.26 -4.38 105.19 102.84 2hg3 n GLY 14 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2hg3 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hg3 s THR 15 N -2.09 2.94 -0.15 2.61 -4.23 -1.26 -4.68 115.64 108.77 2hg3 s THR 15 Ca 0.00 0.49 0.12 0.00 -1.18 0.00 0.00 61.69 61.12 2hg3 s THR 15 Cb 0.00 -3.07 -0.23 0.00 1.34 0.00 0.00 72.50 70.53 2hg3 s THR 15 CO 0.00 -0.21 0.23 0.18 -0.54 0.00 0.00 174.62 174.28 2hg3 n LEU 16 N -2.09 0.94 -3.96 4.79 4.77 -1.26 -4.90 117.00 115.28 2hg3 n LEU 16 Ca 0.12 0.12 -0.18 0.00 -0.03 0.00 0.00 56.01 56.04 2hg3 n LEU 16 Cb 0.51 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.49 2hg3 n LEU 16 CO 0.46 0.56 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.98 2hg3 s VAL 17 N -2.53 0.54 0.00 4.08 1.01 -1.26 -4.90 120.40 117.34 2hg3 s VAL 17 Ca -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2hg3 s VAL 17 Cb 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2hg3 s VAL 17 CO 0.79 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.68 2hg3 n GLY 18 N 3.25 0.74 7.00 4.51 0.00 -1.26 -4.45 105.19 114.98 2hg3 n GLY 18 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2hg3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hg3 n GLY 19 N -2.00 2.27 1.14 -0.02 0.00 -1.26 -1.32 105.19 104.00 2hg3 n GLY 19 Ca 0.00 0.39 0.11 0.00 0.00 0.00 0.00 46.02 46.53 2hg3 n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hg3 n ASN 20 N 4.27 3.36 -0.04 1.61 6.94 -1.26 -4.44 115.26 125.71 2hg3 n ASN 20 Ca 0.00 -1.97 -0.07 0.00 -0.02 0.00 0.00 54.58 52.51 2hg3 n ASN 20 Cb 0.00 -0.33 0.10 0.00 -2.36 0.00 0.00 39.78 37.19 2hg3 n ASN 20 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2hg3 h LEU 21 N 4.02 0.68 -2.98 -4.53 6.46 -1.56 -3.08 115.31 114.32 2hg3 h LEU 21 Ca 0.00 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 2hg3 h LEU 21 Cb 0.90 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2hg3 h LEU 21 CO 0.00 0.95 -0.19 0.49 -0.62 0.00 0.00 178.44 179.07 2hg3 n PHE 22 N -4.07 0.00 -2.85 1.25 3.01 -1.26 -4.91 117.46 108.62 2hg3 n PHE 22 Ca -0.01 -1.15 -0.44 0.00 1.01 0.00 0.00 57.45 56.87 2hg3 n PHE 22 Cb 0.47 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2hg3 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2hg3 n ASP 23 N -1.28 5.33 -3.40 4.37 2.03 -1.16 -0.55 116.55 121.88 2hg3 n ASP 23 Ca 0.17 -3.06 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 2hg3 n ASP 23 Cb 0.66 -1.49 -0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2hg3 n ASP 23 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2hg3 s PHE 24 N 0.48 0.07 0.23 -0.67 -0.12 -1.26 -5.03 117.98 111.68 2hg3 s PHE 24 Ca 0.39 -0.61 0.10 0.00 -0.05 0.00 0.00 56.93 56.77 2hg3 s PHE 24 Cb -0.00 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 43.03 2hg3 s PHE 24 CO -0.00 -1.37 -0.13 -1.58 -0.05 0.00 0.00 175.22 172.08 2hg3 s TRP 25 N -3.13 2.48 -0.36 3.49 0.51 -1.26 -1.68 118.94 118.99 2hg3 s TRP 25 Ca 0.15 -0.28 -0.01 0.00 -2.12 0.00 0.00 56.10 53.84 2hg3 s TRP 25 Cb -0.05 -1.15 0.09 0.00 -0.81 0.00 0.00 33.47 31.55 2hg3 s TRP 25 CO 0.10 0.59 0.10 0.08 -0.51 0.00 0.00 176.95 177.32 2hg3 s VAL 26 N -2.07 2.94 0.00 4.03 1.01 0.33 -4.92 120.40 121.72 2hg3 s VAL 26 Ca 0.27 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.31 2hg3 s VAL 26 Cb -0.07 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2hg3 s VAL 26 CO 0.15 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.36 2hg3 n GLY 27 N 4.52 3.26 0.19 4.51 0.00 -1.26 -1.82 105.19 114.59 2hg3 n GLY 27 Ca -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2hg3 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hg3 h PRO 28 N 0.00 0.00 -6.10 1.61 0.13 -1.96 -3.43 132.00 122.25 2hg3 h PRO 28 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2hg3 h PRO 28 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2hg3 h PRO 28 CO 0.00 0.00 0.51 -0.06 -0.23 0.00 0.00 178.00 178.22 2hg3 s PHE 29 N -3.22 3.46 0.25 1.56 0.08 -0.76 -5.02 117.98 114.34 2hg3 s PHE 29 Ca 0.07 1.43 -0.30 0.00 0.12 0.00 0.00 56.93 58.26 2hg3 s PHE 29 Cb 0.07 -3.12 -0.10 0.00 -0.57 0.00 0.00 43.02 39.31 2hg3 s PHE 29 CO 0.64 -0.25 1.43 -0.47 -0.10 0.00 0.00 175.22 176.46 2hg3 s TYR 30 N 2.18 3.03 0.00 0.36 5.04 -1.26 -0.51 117.35 126.18 2hg3 s TYR 30 Ca 0.43 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 2hg3 s TYR 30 Cb -0.17 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.34 2hg3 s TYR 30 CO 0.14 -2.59 0.00 0.28 -1.34 0.00 0.00 175.55 172.05 2hg3 n VAL 31 N 2.28 0.00 -0.24 3.14 0.31 -0.68 -4.83 118.33 118.31 2hg3 n VAL 31 Ca 0.06 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 2hg3 n VAL 31 Cb 0.40 -0.26 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 2hg3 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hg3 n GLY 32 N 3.07 -1.95 0.29 2.92 0.00 0.28 -1.88 105.19 107.92 2hg3 n GLY 32 Ca 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 2hg3 n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hg3 h PHE 33 N -0.23 0.89 0.00 1.61 3.57 -1.79 -2.21 116.94 118.79 2hg3 h PHE 33 Ca -0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2hg3 h PHE 33 Cb 0.23 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 2hg3 h PHE 33 CO -0.09 0.53 -0.22 0.74 -2.23 0.00 0.00 178.31 177.04 2hg3 h PHE 34 N 0.94 0.00 -0.55 0.41 0.04 -1.88 -0.30 116.94 115.60 2hg3 h PHE 34 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 2hg3 h PHE 34 Cb -0.03 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 2hg3 h PHE 34 CO -0.03 0.22 0.35 0.78 -0.60 0.00 0.00 178.31 179.03 2hg3 h GLY 35 N 1.70 0.79 1.23 -1.45 0.00 -0.75 0.12 103.07 104.71 2hg3 h GLY 35 Ca -0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 2hg3 h GLY 35 CO 0.03 0.31 -0.45 -2.08 0.00 0.00 0.00 176.54 174.34 2hg3 h VAL 36 N 0.74 1.28 -0.29 4.60 2.07 -1.09 -0.89 116.25 122.67 2hg3 h VAL 36 Ca 0.20 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2hg3 h VAL 36 Cb -0.05 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2hg3 h VAL 36 CO -0.04 0.54 0.04 0.00 0.02 0.00 0.00 177.57 178.13 2hg3 h ALA 37 N 0.82 0.39 -0.10 1.67 0.00 -0.97 -2.11 119.26 118.96 2hg3 h ALA 37 Ca 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2hg3 h ALA 37 Cb 1.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2hg3 h ALA 37 CO 0.10 0.09 -0.05 1.15 0.00 0.00 0.00 179.25 180.54 2hg3 h THR 38 N 0.31 0.84 -0.49 0.00 2.02 -0.65 -0.54 112.91 114.40 2hg3 h THR 38 Ca 0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.31 2hg3 h THR 38 Cb 0.35 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 2hg3 h THR 38 CO 0.01 0.00 0.24 0.15 0.37 0.00 0.00 175.52 176.29 2hg3 h PHE 39 N -0.04 0.45 -0.16 3.16 3.57 -1.05 0.31 116.94 123.18 2hg3 h PHE 39 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2hg3 h PHE 39 Cb 0.12 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2hg3 h PHE 39 CO -0.17 0.22 0.05 0.35 -2.23 0.00 0.00 178.31 176.53 2hg3 h PHE 40 N 0.48 0.25 -0.50 0.41 3.57 -0.99 0.16 116.94 120.32 2hg3 h PHE 40 Ca 0.22 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2hg3 h PHE 40 Cb 0.13 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 2hg3 h PHE 40 CO -0.10 0.35 0.19 0.74 -2.23 0.00 0.00 178.31 177.26 2hg3 h PHE 41 N 0.08 0.76 -0.02 0.41 0.04 -0.71 -1.63 116.94 115.87 2hg3 h PHE 41 Ca 0.05 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2hg3 h PHE 41 Cb 0.21 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 2hg3 h PHE 41 CO -0.00 0.64 0.00 0.00 -0.60 0.00 0.00 178.31 178.35 2hg3 h ALA 42 N 1.04 0.02 -0.26 2.45 0.00 -0.78 0.55 119.26 122.28 2hg3 h ALA 42 Ca 0.16 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2hg3 h ALA 42 Cb 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2hg3 h ALA 42 CO -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 179.25 178.87 2hg3 h ALA 43 N 0.81 0.24 -0.32 0.00 0.00 -0.67 0.28 119.26 119.60 2hg3 h ALA 43 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hg3 h ALA 43 Cb 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2hg3 h ALA 43 CO -0.00 -0.41 0.21 1.25 0.00 0.00 0.00 179.25 180.30 2hg3 h LEU 44 N 0.09 0.36 -0.52 0.00 5.85 -1.22 -1.49 115.31 118.38 2hg3 h LEU 44 Ca 0.12 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2hg3 h LEU 44 Cb 0.15 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2hg3 h LEU 44 CO -0.20 0.26 -0.02 1.23 -0.34 0.00 0.00 178.44 179.37 2hg3 h GLY 45 N 0.43 0.50 0.89 3.75 0.00 -0.22 -1.46 103.07 106.97 2hg3 h GLY 45 Ca 0.12 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 2hg3 h GLY 45 CO -0.03 -0.16 -0.16 -2.22 0.00 0.00 0.00 176.54 173.97 2hg3 h ILE 46 N 0.09 1.30 -0.94 2.60 2.04 -0.57 -0.46 117.51 121.57 2hg3 h ILE 46 Ca 0.26 -1.27 0.07 0.00 1.00 0.00 0.00 64.86 64.92 2hg3 h ILE 46 Cb 0.40 1.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 2hg3 h ILE 46 CO -0.45 0.40 0.61 0.40 0.00 0.00 0.00 178.15 179.10 2hg3 h ILE 47 N 0.32 1.06 0.01 -0.67 2.04 -1.17 0.38 117.51 119.47 2hg3 h ILE 47 Ca 0.06 -0.36 -0.23 0.00 1.00 0.00 0.00 64.86 65.32 2hg3 h ILE 47 Cb 0.69 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2hg3 h ILE 47 CO 0.05 0.19 -0.96 -0.07 0.00 0.00 0.00 178.15 177.36 2hg3 h LEU 48 N 1.06 0.54 0.04 1.44 3.38 -0.91 -0.80 115.31 120.07 2hg3 h LEU 48 Ca 0.41 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2hg3 h LEU 48 Cb 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2hg3 h LEU 48 CO -0.16 1.24 -0.03 0.40 0.09 0.00 0.00 178.44 179.98 2hg3 h ILE 49 N 0.23 0.92 -0.88 1.22 2.04 -0.39 0.26 117.51 120.91 2hg3 h ILE 49 Ca -0.08 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.94 2hg3 h ILE 49 Cb 1.60 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 2hg3 h ILE 49 CO 0.17 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.89 2hg3 h ALA 50 N 0.88 1.98 0.15 1.87 0.00 -0.09 0.34 119.26 124.39 2hg3 h ALA 50 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 2hg3 h ALA 50 Cb 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2hg3 h ALA 50 CO -0.01 -0.24 -1.21 2.35 0.00 0.00 0.00 179.25 180.14 2hg3 h TRP 51 N 0.57 0.93 -0.93 0.00 7.01 -0.80 -1.89 115.95 120.82 2hg3 h TRP 51 Ca 0.45 -0.61 0.15 0.00 2.11 0.00 0.00 58.89 60.99 2hg3 h TRP 51 Cb 0.90 -0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.82 2hg3 h TRP 51 CO -0.00 1.46 0.59 1.03 -2.79 0.00 0.00 178.44 178.73 2hg3 h SER 52 N 0.13 0.70 0.79 2.65 0.87 0.56 -2.31 113.55 116.94 2hg3 h SER 52 Ca -0.20 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2hg3 h SER 52 Cb 1.91 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.80 2hg3 h SER 52 CO 0.23 0.33 -0.38 0.00 -0.53 0.00 0.00 176.83 176.48 2hg3 h ALA 53 N 1.60 -1.06 -0.99 6.23 0.00 -0.70 -0.45 119.26 123.89 2hg3 h ALA 53 Ca 0.48 -0.24 0.32 0.00 0.00 0.00 0.00 54.91 55.48 2hg3 h ALA 53 Cb 0.76 0.41 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 2hg3 h ALA 53 CO -0.24 -1.04 0.24 0.28 0.00 0.00 0.00 179.25 178.48 2hg3 h VAL 54 N -1.16 0.04 0.00 0.00 2.07 -0.92 0.31 116.25 116.59 2hg3 h VAL 54 Ca -0.11 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 2hg3 h VAL 54 Cb 0.82 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2hg3 h VAL 54 CO 0.18 0.01 -0.90 -0.07 0.02 0.00 0.00 177.57 176.80 2hg3 h LEU 55 N 0.03 0.00 -0.72 2.57 3.38 -1.19 -2.69 115.31 116.69 2hg3 h LEU 55 Ca 0.69 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.56 2hg3 h LEU 55 Cb 1.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2hg3 h LEU 55 CO -0.84 0.68 -0.14 -0.61 0.09 0.00 0.00 178.44 177.62 2hg3 h GLN 56 N 0.00 0.84 -0.06 1.13 4.15 0.33 -3.48 115.11 118.01 2hg3 h GLN 56 Ca -0.06 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.06 2hg3 h GLN 56 Cb 1.57 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.20 2hg3 h GLN 56 CO 0.08 0.92 0.00 0.41 -1.93 0.00 0.00 178.83 178.31 2hg3 n GLY 57 N -0.35 1.39 3.08 2.39 0.00 0.97 -5.09 105.19 107.58 2hg3 n GLY 57 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 2hg3 n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hg3 s THR 58 N -2.06 0.46 0.00 2.61 -1.32 -1.14 -5.02 115.64 109.18 2hg3 s THR 58 Ca 0.00 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2hg3 s THR 58 Cb 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 2hg3 s THR 58 CO 0.00 -0.64 0.78 0.79 -2.21 0.00 0.00 174.62 173.33 2hg3 n TRP 59 N 0.83 0.00 -2.98 9.09 7.02 -1.26 -4.10 117.44 126.05 2hg3 n TRP 59 Ca -0.18 -0.29 -0.40 0.00 -1.02 0.00 0.00 57.50 55.60 2hg3 n TRP 59 Cb 0.57 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.39 2hg3 n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2hg3 s ASN 60 N -0.58 7.01 0.55 -0.99 3.84 -1.26 -4.96 114.94 118.55 2hg3 s ASN 60 Ca 0.00 1.23 0.33 0.00 0.21 0.00 0.00 52.86 54.63 2hg3 s ASN 60 Cb 0.00 -2.44 1.39 0.00 -0.55 0.00 0.00 41.25 39.65 2hg3 s ASN 60 CO 0.00 -0.20 1.99 1.55 -2.79 0.00 0.00 177.10 177.66 2hg3 h PRO 61 N 6.91 0.00 -0.00 0.43 0.13 -1.97 0.94 132.00 138.44 2hg3 h PRO 61 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2hg3 h PRO 61 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hg3 h PRO 61 CO 0.77 0.02 -0.00 1.04 -0.23 0.00 0.00 178.00 179.60 2hg3 n GLN 62 N -3.12 0.38 -0.01 0.86 6.02 -1.26 -4.13 117.38 116.12 2hg3 n GLN 62 Ca 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hg3 n GLN 62 Cb 0.30 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.03 2hg3 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hg3 n LEU 63 N -1.31 0.00 -4.70 1.08 4.77 -0.07 -4.64 117.00 112.12 2hg3 n LEU 63 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2hg3 n LEU 63 Cb 0.25 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2hg3 n LEU 63 CO 0.24 0.05 1.43 -0.63 -1.33 0.00 0.00 177.39 177.14 2hg3 s ILE 64 N -2.16 2.47 -0.04 -0.08 1.01 0.13 -4.98 121.20 117.54 2hg3 s ILE 64 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 2hg3 s ILE 64 Cb 0.02 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.45 2hg3 s ILE 64 CO 0.15 0.00 0.09 -0.55 0.00 0.00 0.00 174.94 174.63 2hg3 s SER 65 N 2.28 -0.05 -0.29 3.58 0.15 -1.26 -4.37 113.70 113.74 2hg3 s SER 65 Ca 0.78 0.18 -0.05 0.00 0.70 0.00 0.00 55.95 57.57 2hg3 s SER 65 Cb -0.46 0.10 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 2hg3 s SER 65 CO 0.35 -0.11 0.03 -0.69 1.20 0.00 0.00 173.24 174.03 2hg3 s VAL 66 N 0.81 3.51 -0.06 4.45 1.01 0.05 -4.93 120.40 125.24 2hg3 s VAL 66 Ca -0.06 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 2hg3 s VAL 66 Cb -0.09 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2hg3 s VAL 66 CO -0.03 0.05 0.21 -0.31 0.00 0.00 0.00 175.10 175.02 2hg3 s TYR 67 N 1.41 3.61 0.92 5.22 1.51 -1.26 -1.31 117.35 127.44 2hg3 s TYR 67 Ca 0.00 0.60 -0.12 0.00 -1.01 0.00 0.00 57.07 56.54 2hg3 s TYR 67 Cb -0.18 -1.99 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 2hg3 s TYR 67 CO 0.00 0.69 0.71 -0.35 -1.11 0.00 0.00 175.55 175.49 2hg3 n PRO 68 N 1.66 -0.30 -1.40 -1.71 -0.04 -1.26 -4.00 135.00 127.95 2hg3 n PRO 68 Ca -0.16 -0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 62.91 2hg3 n PRO 68 Cb 0.54 -2.07 0.09 0.00 -0.04 0.00 0.00 33.50 32.02 2hg3 n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2hg3 n PRO 69 N -2.62 0.60 -2.15 0.54 -0.04 -1.26 -4.66 135.00 125.40 2hg3 n PRO 69 Ca 0.09 0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 63.45 2hg3 n PRO 69 Cb 0.53 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.63 2hg3 n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hg3 s ALA 70 N -1.77 2.82 0.50 0.55 0.00 -1.26 -2.64 121.76 119.96 2hg3 s ALA 70 Ca 0.76 0.98 0.41 0.00 0.00 0.00 0.00 51.96 54.11 2hg3 s ALA 70 Cb -0.34 -3.41 1.62 0.00 0.00 0.00 0.00 23.12 20.98 2hg3 s ALA 70 CO 0.48 -0.86 1.58 -0.07 0.00 0.00 0.00 175.76 176.88 2hg3 h LEU 71 N 1.58 0.10 -1.48 0.00 3.38 -1.92 0.45 115.31 117.42 2hg3 h LEU 71 Ca -0.50 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2hg3 h LEU 71 Cb 1.27 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2hg3 h LEU 71 CO 0.58 -0.13 0.04 -0.33 0.09 0.00 0.00 178.44 178.69 2hg3 h GLU 72 N 0.01 0.38 0.00 1.13 4.39 -1.99 -2.16 114.58 116.34 2hg3 h GLU 72 Ca 0.91 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.55 2hg3 h GLU 72 Cb 3.29 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 31.87 2hg3 h GLU 72 CO -0.24 0.38 0.00 0.66 -1.16 0.00 0.00 179.01 178.65 2hg3 n TYR 73 N -4.37 0.51 -2.93 4.33 4.02 0.16 -4.97 117.16 113.92 2hg3 n TYR 73 Ca 0.01 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2hg3 n TYR 73 Cb 0.18 -0.86 0.00 0.00 -0.02 0.00 0.00 39.34 38.64 2hg3 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hg3 n GLY 74 N -0.47 2.99 1.31 2.72 0.00 -0.81 -2.47 105.19 108.45 2hg3 n GLY 74 Ca 0.01 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.82 2hg3 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hg3 n LEU 75 N 0.00 4.20 0.00 0.99 4.77 -1.23 -2.03 117.00 123.70 2hg3 n LEU 75 Ca 0.00 -2.33 -0.19 0.00 -0.03 0.00 0.00 56.01 53.46 2hg3 n LEU 75 Cb 0.00 -0.50 0.13 0.00 -2.33 0.00 0.00 43.42 40.73 2hg3 n LEU 75 CO 0.00 0.83 0.57 0.61 -1.33 0.00 0.00 177.39 178.06 2hg3 n GLY 76 N 0.98 -1.32 3.92 -0.72 0.00 -1.03 -4.98 105.19 102.04 2hg3 n GLY 76 Ca 0.23 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 2hg3 n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hg3 s GLY 77 N -4.86 1.54 0.10 -0.02 0.00 -1.26 -4.96 107.32 97.86 2hg3 s GLY 77 Ca 0.49 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.52 2hg3 s GLY 77 CO 0.34 -0.51 -0.08 0.00 0.00 0.00 0.00 173.10 172.86 2hg3 s ALA 78 N -2.78 1.07 0.45 3.20 0.00 -1.26 -5.02 121.76 117.42 2hg3 s ALA 78 Ca 0.50 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2hg3 s ALA 78 Cb -0.10 0.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.02 2hg3 s ALA 78 CO 0.43 -0.17 0.69 -2.30 0.00 0.00 0.00 175.76 174.41 2hg3 n PRO 79 N 0.07 0.79 -0.15 0.00 -0.02 -1.26 -3.22 135.00 131.21 2hg3 n PRO 79 Ca -0.13 0.29 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 2hg3 n PRO 79 Cb 0.60 -1.71 0.05 0.00 -0.02 0.00 0.00 33.50 32.42 2hg3 n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2hg3 h LEU 80 N 0.91 0.19 -2.87 2.45 3.38 -1.94 0.14 115.31 117.57 2hg3 h LEU 80 Ca -0.43 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2hg3 h LEU 80 Cb 1.38 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2hg3 h LEU 80 CO 0.52 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2hg3 h ALA 81 N 1.31 1.12 -0.81 1.53 0.00 -1.97 -2.84 119.26 117.61 2hg3 h ALA 81 Ca 0.22 -0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.66 2hg3 h ALA 81 Cb 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.59 2hg3 h ALA 81 CO -0.22 -0.00 -0.90 1.63 0.00 0.00 0.00 179.25 179.75 2hg3 n LYS 82 N -3.26 2.97 0.00 0.00 5.02 0.29 -4.92 118.16 118.26 2hg3 n LYS 82 Ca -0.03 -4.00 0.00 0.00 -2.02 0.00 0.00 58.31 52.26 2hg3 n LYS 82 Cb 0.07 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2hg3 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hg3 n GLY 83 N -0.60 0.85 0.24 0.72 0.00 -1.10 -4.38 105.19 100.92 2hg3 n GLY 83 Ca 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2hg3 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hg3 h GLY 84 N 0.00 0.88 0.74 -0.02 0.00 -1.01 -1.40 103.07 102.26 2hg3 h GLY 84 Ca 0.00 -0.19 0.06 0.00 0.00 0.00 0.00 47.33 47.21 2hg3 h GLY 84 CO 0.00 0.07 0.60 1.41 0.00 0.00 0.00 176.54 178.62 2hg3 h LEU 85 N 0.53 0.96 -0.76 3.11 3.38 -1.71 0.18 115.31 121.01 2hg3 h LEU 85 Ca 0.29 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.32 2hg3 h LEU 85 Cb 0.26 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2hg3 h LEU 85 CO -0.23 0.61 0.47 -0.25 0.09 0.00 0.00 178.44 179.13 2hg3 h TRP 86 N 1.10 0.87 -0.40 1.13 7.01 -1.51 0.22 115.95 124.36 2hg3 h TRP 86 Ca 0.41 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.38 2hg3 h TRP 86 Cb 0.16 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 2hg3 h TRP 86 CO -0.01 0.47 0.06 1.96 -2.79 0.00 0.00 178.44 178.12 2hg3 h GLN 87 N 0.88 0.67 -0.26 2.65 4.20 -0.54 -0.13 115.11 122.59 2hg3 h GLN 87 Ca 0.32 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 2hg3 h GLN 87 Cb 0.10 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2hg3 h GLN 87 CO -0.14 0.72 -0.25 0.82 -0.67 0.00 0.00 178.83 179.31 2hg3 h ILE 88 N 0.52 1.31 0.00 2.54 2.04 -0.45 -2.22 117.51 121.24 2hg3 h ILE 88 Ca 0.12 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2hg3 h ILE 88 Cb 0.38 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2hg3 h ILE 88 CO 0.01 0.44 -0.05 0.40 0.00 0.00 0.00 178.15 178.95 2hg3 h ILE 89 N 0.35 1.01 -0.19 -0.67 2.04 -0.48 -0.77 117.51 118.80 2hg3 h ILE 89 Ca 0.04 -0.18 -0.21 0.00 1.00 0.00 0.00 64.86 65.51 2hg3 h ILE 89 Cb 0.80 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2hg3 h ILE 89 CO 0.06 0.05 -0.69 0.74 0.00 0.00 0.00 178.15 178.31 2hg3 h THR 90 N 0.00 1.29 -0.45 -0.27 2.02 -0.59 0.12 112.91 115.02 2hg3 h THR 90 Ca -0.00 -1.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.24 2hg3 h THR 90 Cb 0.10 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2hg3 h THR 90 CO 0.01 0.61 0.17 0.40 0.37 0.00 0.00 175.52 177.08 2hg3 h ILE 91 N 0.55 1.21 -0.54 3.11 2.04 -0.80 -1.56 117.51 121.52 2hg3 h ILE 91 Ca -0.03 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 2hg3 h ILE 91 Cb 1.31 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2hg3 h ILE 91 CO 0.14 0.24 0.25 0.00 0.00 0.00 0.00 178.15 178.78 2hg3 h ALA 93 N 1.09 -0.71 -0.32 0.00 0.00 -0.51 0.21 119.26 119.01 2hg3 h ALA 93 Ca 0.18 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2hg3 h ALA 93 Cb 0.14 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2hg3 h ALA 93 CO -0.02 -0.97 -0.00 1.15 0.00 0.00 0.00 179.25 179.41 2hg3 h THR 94 N -0.64 0.76 -0.65 0.00 2.02 -1.19 0.21 112.91 113.42 2hg3 h THR 94 Ca 0.02 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2hg3 h THR 94 Cb 0.67 0.67 -0.09 0.00 -1.74 0.00 0.00 68.15 67.65 2hg3 h THR 94 CO -0.23 0.02 0.16 1.23 0.37 0.00 0.00 175.52 177.06 2hg3 h GLY 95 N 0.09 0.86 1.30 2.16 0.00 -0.74 -0.91 103.07 105.83 2hg3 h GLY 95 Ca 0.15 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 2hg3 h GLY 95 CO -0.26 -0.13 -0.55 0.00 0.00 0.00 0.00 176.54 175.60 2hg3 h ALA 96 N 1.52 0.57 -0.05 3.60 0.00 0.69 -1.37 119.26 124.21 2hg3 h ALA 96 Ca 0.35 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2hg3 h ALA 96 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2hg3 h ALA 96 CO -0.43 0.69 -0.04 0.74 0.00 0.00 0.00 179.25 180.21 2hg3 h PHE 97 N 0.56 0.14 -0.24 0.00 0.04 -0.38 -1.03 116.94 116.05 2hg3 h PHE 97 Ca 0.01 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 2hg3 h PHE 97 Cb 1.13 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 2hg3 h PHE 97 CO 0.06 0.55 0.08 0.28 -0.60 0.00 0.00 178.31 178.68 2hg3 h VAL 98 N -0.31 1.19 -0.94 -0.55 2.07 -1.21 -0.70 116.25 115.81 2hg3 h VAL 98 Ca 0.01 -0.60 0.14 0.00 0.82 0.00 0.00 66.70 67.07 2hg3 h VAL 98 Cb 0.52 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 2hg3 h VAL 98 CO 0.01 0.19 0.60 0.28 0.02 0.00 0.00 177.57 178.67 2hg3 h SER 99 N 0.22 0.74 -0.29 0.57 0.02 -1.27 -0.68 113.55 112.85 2hg3 h SER 99 Ca 0.08 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2hg3 h SER 99 Cb 0.23 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2hg3 h SER 99 CO -0.00 0.37 -0.11 -0.25 -1.14 0.00 0.00 176.83 175.69 2hg3 h TRP 100 N 0.78 0.78 -0.22 3.45 2.91 0.24 0.14 115.95 124.03 2hg3 h TRP 100 Ca 0.48 -0.14 -0.02 0.00 1.13 0.00 0.00 58.89 60.34 2hg3 h TRP 100 Cb 0.68 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 2hg3 h TRP 100 CO -0.00 0.79 0.05 0.00 -1.03 0.00 0.00 178.44 178.25 2hg3 h ALA 101 N 1.22 0.29 -0.35 2.65 0.00 -0.30 -1.23 119.26 121.54 2hg3 h ALA 101 Ca 0.11 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2hg3 h ALA 101 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2hg3 h ALA 101 CO 0.04 -0.05 -0.36 -0.07 0.00 0.00 0.00 179.25 178.80 2hg3 h LEU 102 N 0.16 0.85 -0.76 0.00 3.38 -0.86 -1.00 115.31 117.10 2hg3 h LEU 102 Ca 0.07 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2hg3 h LEU 102 Cb 0.29 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 2hg3 h LEU 102 CO 0.00 1.12 0.44 -0.09 0.09 0.00 0.00 178.44 180.01 2hg3 h ARG 103 N 0.67 0.77 -1.00 1.13 2.43 -0.85 -0.80 114.38 116.72 2hg3 h ARG 103 Ca 0.06 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2hg3 h ARG 103 Cb 0.92 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 2hg3 h ARG 103 CO 0.08 0.51 0.66 0.93 -1.51 0.00 0.00 179.97 180.65 2hg3 h GLU 104 N 0.80 1.31 -0.81 0.20 5.08 -0.27 -0.68 114.58 120.21 2hg3 h GLU 104 Ca 0.34 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.63 2hg3 h GLU 104 Cb 0.21 -0.30 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 2hg3 h GLU 104 CO -0.19 0.87 0.53 0.28 -1.00 0.00 0.00 179.01 179.50 2hg3 h VAL 105 N 1.35 1.21 -0.16 3.13 2.07 0.07 -0.66 116.25 123.25 2hg3 h VAL 105 Ca 0.37 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2hg3 h VAL 105 Cb -0.13 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 2hg3 h VAL 105 CO -0.09 0.20 0.06 -0.33 0.02 0.00 0.00 177.57 177.43 2hg3 h GLU 106 N 1.10 0.24 -0.97 1.57 5.08 -0.43 -0.45 114.58 120.73 2hg3 h GLU 106 Ca 0.30 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.71 2hg3 h GLU 106 Cb -0.12 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.01 2hg3 h GLU 106 CO -0.06 0.34 0.62 0.82 -1.00 0.00 0.00 179.01 179.73 2hg3 h ILE 107 N 0.09 0.98 -0.30 3.13 2.04 -0.76 -1.19 117.51 121.49 2hg3 h ILE 107 Ca 0.05 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2hg3 h ILE 107 Cb 0.20 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2hg3 h ILE 107 CO -0.00 0.18 0.18 0.00 0.00 0.00 0.00 178.15 178.51 2hg3 h ARG 109 N 0.38 1.04 -0.32 0.00 3.08 -0.15 -1.57 114.38 116.84 2hg3 h ARG 109 Ca 0.11 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2hg3 h ARG 109 Cb 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2hg3 h ARG 109 CO -0.02 0.82 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.36 2hg3 h LYS 110 N 1.00 0.55 -0.01 0.04 3.64 -1.08 -3.10 116.57 117.62 2hg3 h LYS 110 Ca 0.24 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2hg3 h LYS 110 Cb 0.14 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2hg3 h LYS 110 CO -0.03 0.67 -0.10 1.28 -2.27 0.00 0.00 179.45 179.00 2hg3 n LEU 111 N -4.19 1.18 -2.36 5.20 4.77 -0.57 -4.95 117.00 116.08 2hg3 n LEU 111 Ca 0.01 -0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 55.43 2hg3 n LEU 111 Cb 0.34 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2hg3 n LEU 111 CO 0.41 0.20 -0.26 0.61 -1.33 0.00 0.00 177.39 177.02 2hg3 n GLY 112 N 1.24 -0.38 3.93 -0.72 0.00 -0.63 -5.02 105.19 103.60 2hg3 n GLY 112 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2hg3 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hg3 s ILE 113 N -3.03 2.59 0.85 -0.61 -4.36 -0.96 -5.06 121.20 110.62 2hg3 s ILE 113 Ca 0.00 -1.24 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 2hg3 s ILE 113 Cb 0.00 -2.83 0.10 0.00 1.25 0.00 0.00 42.46 40.98 2hg3 s ILE 113 CO 0.00 0.00 1.09 -0.83 0.24 0.00 0.00 174.94 175.44 2hg3 s GLY 114 N -4.25 1.63 -0.16 6.27 0.00 -1.26 -4.69 107.32 104.86 2hg3 s GLY 114 Ca 0.50 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 45.19 2hg3 s GLY 114 CO 0.30 0.39 1.26 -1.72 0.00 0.00 0.00 173.10 173.33 2hg3 n TYR 115 N -3.70 1.15 -0.13 1.90 4.01 -1.26 -4.56 117.16 114.56 2hg3 n TYR 115 Ca 0.07 -0.81 -0.13 0.00 -0.16 0.00 0.00 57.90 56.87 2hg3 n TYR 115 Cb 0.55 -0.45 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 2hg3 n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hg3 h HIS 116 N 0.83 1.13 0.73 -0.72 3.86 -1.99 -2.98 115.15 116.01 2hg3 h HIS 116 Ca 0.18 -0.32 -0.03 0.00 -1.16 0.00 0.00 60.37 59.04 2hg3 h HIS 116 Cb 1.56 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.78 2hg3 h HIS 116 CO 0.60 1.15 -0.49 0.82 0.86 0.00 0.00 177.93 180.87 2hg3 h ILE 117 N 0.78 0.00 -0.18 2.45 2.04 -2.00 -1.26 117.51 119.35 2hg3 h ILE 117 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2hg3 h ILE 117 Cb 0.93 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2hg3 h ILE 117 CO 0.09 0.00 0.07 1.55 0.00 0.00 0.00 178.15 179.86 2hg3 h PRO 118 N -1.16 0.24 -0.61 2.37 0.13 -1.89 0.28 132.00 131.37 2hg3 h PRO 118 Ca -0.10 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2hg3 h PRO 118 Cb 0.94 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2hg3 h PRO 118 CO 0.07 0.21 0.37 0.35 -0.23 0.00 0.00 178.00 178.77 2hg3 h PHE 119 N 0.25 0.80 -0.33 1.56 3.57 -1.35 -0.17 116.94 121.27 2hg3 h PHE 119 Ca 0.06 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 2hg3 h PHE 119 Cb 0.05 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2hg3 h PHE 119 CO 0.00 0.54 0.19 0.00 -2.23 0.00 0.00 178.31 176.81 2hg3 h ALA 120 N 1.19 0.42 -0.72 2.41 0.00 0.02 -2.58 119.26 120.00 2hg3 h ALA 120 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2hg3 h ALA 120 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2hg3 h ALA 120 CO -0.04 -0.06 0.48 0.35 0.00 0.00 0.00 179.25 179.98 2hg3 h PHE 121 N 0.42 0.91 -0.82 0.00 3.57 -0.23 0.41 116.94 121.20 2hg3 h PHE 121 Ca 0.12 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.82 2hg3 h PHE 121 Cb 0.03 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.41 2hg3 h PHE 121 CO -0.03 0.57 0.55 0.00 -2.23 0.00 0.00 178.31 177.16 2hg3 h ALA 122 N 1.55 2.22 -0.66 2.41 0.00 -0.61 0.14 119.26 124.32 2hg3 h ALA 122 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2hg3 h ALA 122 Cb -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2hg3 h ALA 122 CO -0.06 -0.46 0.33 0.74 0.00 0.00 0.00 179.25 179.79 2hg3 h PHE 123 N 0.36 0.95 0.06 0.00 -1.00 -0.91 -0.46 116.94 115.95 2hg3 h PHE 123 Ca 0.41 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.15 2hg3 h PHE 123 Cb 1.06 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 40.32 2hg3 h PHE 123 CO -0.00 0.70 -0.03 0.00 -1.61 0.00 0.00 178.31 177.37 2hg3 h ALA 124 N 1.15 -0.08 -0.97 2.45 0.00 -0.76 -1.81 119.26 119.24 2hg3 h ALA 124 Ca 0.23 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.30 2hg3 h ALA 124 Cb 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 2hg3 h ALA 124 CO -0.03 -0.55 0.58 0.82 0.00 0.00 0.00 179.25 180.07 2hg3 h ILE 125 N -0.09 0.72 -0.21 0.00 2.04 -1.21 -1.11 117.51 117.65 2hg3 h ILE 125 Ca -0.01 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 2hg3 h ILE 125 Cb 0.07 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2hg3 h ILE 125 CO 0.01 0.14 -0.37 -0.07 0.00 0.00 0.00 178.15 177.85 2hg3 h LEU 126 N 0.75 0.49 0.24 1.44 3.38 -0.25 -0.92 115.31 120.43 2hg3 h LEU 126 Ca 0.55 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2hg3 h LEU 126 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2hg3 h LEU 126 CO -0.37 0.82 -0.11 0.00 0.09 0.00 0.00 178.44 178.86 2hg3 h ALA 127 N 1.21 -0.32 -0.63 1.53 0.00 -0.71 0.21 119.26 120.54 2hg3 h ALA 127 Ca 0.04 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2hg3 h ALA 127 Cb 0.83 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 2hg3 h ALA 127 CO 0.07 -0.66 -0.02 -0.92 0.00 0.00 0.00 179.25 177.72 2hg3 h TYR 128 N -0.36 -0.08 -0.00 0.00 3.20 -1.09 -1.96 116.97 116.68 2hg3 h TYR 128 Ca -0.03 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 2hg3 h TYR 128 Cb 0.28 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 2hg3 h TYR 128 CO -0.05 -0.19 -0.72 -0.07 -1.64 0.00 0.00 178.16 175.49 2hg3 h LEU 129 N 0.10 0.03 -0.26 2.82 3.38 -0.38 -1.73 115.31 119.26 2hg3 h LEU 129 Ca 0.33 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.33 2hg3 h LEU 129 Cb 0.53 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2hg3 h LEU 129 CO -0.56 0.74 -0.04 0.74 0.09 0.00 0.00 178.44 179.41 2hg3 h THR 130 N 0.01 0.77 -0.39 0.22 2.02 -0.14 0.73 112.91 116.13 2hg3 h THR 130 Ca -0.01 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 2hg3 h THR 130 Cb 1.27 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2hg3 h THR 130 CO 0.10 0.01 -0.19 -0.07 0.37 0.00 0.00 175.52 175.73 2hg3 h LEU 131 N 0.03 0.85 0.00 2.58 3.38 -0.74 -1.41 115.31 120.00 2hg3 h LEU 131 Ca 0.12 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2hg3 h LEU 131 Cb 0.18 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2hg3 h LEU 131 CO -0.24 1.06 -1.50 1.33 0.09 0.00 0.00 178.44 179.18 2hg3 n VAL 132 N -4.25 0.01 0.08 1.22 0.24 -0.71 -4.38 118.33 110.55 2hg3 n VAL 132 Ca -0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2hg3 n VAL 132 Cb 0.42 0.45 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2hg3 n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2hg3 n LEU 133 N -1.91 0.42 -0.10 1.34 7.94 0.22 -4.75 117.00 120.16 2hg3 n LEU 133 Ca -0.00 0.27 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 2hg3 n LEU 133 Cb 0.46 0.02 -0.04 0.00 0.53 0.00 0.00 43.42 44.39 2hg3 n LEU 133 CO 0.44 -0.69 0.63 -0.26 -1.11 0.00 0.00 177.39 176.40 2hg3 h PHE 134 N 0.00 0.78 0.02 1.96 0.04 -0.44 -1.98 116.94 117.32 2hg3 h PHE 134 Ca 0.00 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.56 2hg3 h PHE 134 Cb 0.08 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.06 2hg3 h PHE 134 CO 0.00 0.92 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.53 2hg3 h ARG 135 N 0.42 -0.02 -0.79 1.51 2.43 -1.46 -0.77 114.38 115.69 2hg3 h ARG 135 Ca 0.06 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2hg3 h ARG 135 Cb 0.74 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 2hg3 h ARG 135 CO 0.05 0.56 0.41 -1.35 -1.51 0.00 0.00 179.97 178.14 2hg3 h PRO 136 N -0.62 0.63 -0.66 0.20 0.11 -1.75 0.31 132.00 130.22 2hg3 h PRO 136 Ca -0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2hg3 h PRO 136 Cb 0.59 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 2hg3 h PRO 136 CO 0.00 0.41 0.19 0.28 -0.21 0.00 0.00 178.00 178.67 2hg3 h VAL 137 N 0.64 1.25 -0.06 3.15 2.07 -1.31 0.19 116.25 122.19 2hg3 h VAL 137 Ca 0.41 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2hg3 h VAL 137 Cb 0.49 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 2hg3 h VAL 137 CO -0.31 0.34 -0.48 0.24 0.02 0.00 0.00 177.57 177.38 2hg3 h MET 138 N 0.96 0.16 0.00 1.57 2.86 -0.34 -2.96 114.93 117.18 2hg3 h MET 138 Ca 0.21 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2hg3 h MET 138 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2hg3 h MET 138 CO -0.00 0.61 -0.25 -1.33 1.06 0.00 0.00 176.91 176.99 2hg3 n MET 139 N -3.96 0.17 -0.30 1.72 2.81 0.10 -4.98 117.12 112.68 2hg3 n MET 139 Ca -0.02 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2hg3 n MET 139 Cb 0.52 -1.66 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2hg3 n MET 139 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hg3 n GLY 140 N 1.39 0.85 3.63 3.03 0.00 0.60 -5.06 105.19 109.63 2hg3 n GLY 140 Ca 0.05 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2hg3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hg3 s ALA 141 N -2.00 -1.84 0.44 4.61 0.00 -0.71 -3.53 121.76 118.73 2hg3 s ALA 141 Ca 0.00 2.19 0.27 0.00 0.00 0.00 0.00 51.96 54.42 2hg3 s ALA 141 Cb 0.00 -1.30 1.47 0.00 0.00 0.00 0.00 23.12 23.29 2hg3 s ALA 141 CO 0.00 -0.35 2.09 -1.49 0.00 0.00 0.00 175.76 176.01 2hg3 h TRP 142 N 5.80 0.00 0.00 0.00 4.06 -1.65 -2.91 115.95 121.25 2hg3 h TRP 142 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 2hg3 h TRP 142 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2hg3 h TRP 142 CO 0.24 0.11 0.21 0.78 -3.56 0.00 0.00 178.44 176.22 2hg3 h GLY 143 N 0.72 0.00 1.59 1.49 0.00 -1.76 -1.25 103.07 103.87 2hg3 h GLY 143 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hg3 h GLY 143 CO 0.01 0.00 -0.02 -1.72 0.00 0.00 0.00 176.54 174.82 2hg3 n TYR 144 N -2.62 0.00 -1.77 5.60 4.01 -1.10 -4.84 117.16 116.44 2hg3 n TYR 144 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.41 2hg3 n TYR 144 Cb 0.25 -0.32 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 2hg3 n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hg3 s ALA 145 N -2.65 2.93 0.44 -0.72 0.00 -0.47 -4.87 121.76 116.41 2hg3 s ALA 145 Ca 0.25 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 2hg3 s ALA 145 Cb 0.20 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.11 2hg3 s ALA 145 CO 0.48 -0.92 0.94 -0.59 0.00 0.00 0.00 175.76 175.66 2hg3 s PHE 146 N -3.15 3.34 0.51 0.00 -0.12 -1.26 -4.83 117.98 112.47 2hg3 s PHE 146 Ca 0.56 1.54 -0.07 0.00 -0.05 0.00 0.00 56.93 58.92 2hg3 s PHE 146 Cb -0.12 -2.81 -0.04 0.00 -0.63 0.00 0.00 43.02 39.43 2hg3 s PHE 146 CO 0.54 -0.14 0.84 -1.25 -0.05 0.00 0.00 175.22 175.17 2hg3 s PRO 147 N -3.34 3.57 -0.55 1.99 0.04 -1.26 -4.74 135.00 130.70 2hg3 s PRO 147 Ca 0.61 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.81 2hg3 s PRO 147 Cb -0.09 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.23 2hg3 s PRO 147 CO 0.17 -0.28 0.64 0.71 0.04 0.00 0.00 177.00 178.28 2hg3 s TYR 148 N -2.83 3.05 -0.28 0.56 2.02 -0.43 -4.27 117.35 115.16 2hg3 s TYR 148 Ca 0.49 -0.83 -0.25 0.00 -0.37 0.00 0.00 57.07 56.11 2hg3 s TYR 148 Cb -0.10 -3.78 0.15 0.00 -0.40 0.00 0.00 41.96 37.83 2hg3 s TYR 148 CO 0.46 -1.15 1.20 0.20 -1.57 0.00 0.00 175.55 174.69 2hg3 s GLY 149 N 3.23 0.05 0.13 0.71 0.00 -1.26 -0.77 107.32 109.41 2hg3 s GLY 149 Ca 0.12 2.98 -0.20 0.00 0.00 0.00 0.00 44.72 47.62 2hg3 s GLY 149 CO 0.08 1.82 1.71 -2.22 0.00 0.00 0.00 173.10 174.49 2hg3 h ILE 150 N 3.30 0.82 0.00 0.90 5.03 -1.79 -1.64 117.51 124.13 2hg3 h ILE 150 Ca -0.27 -0.01 -0.24 0.00 -0.12 0.00 0.00 64.86 64.21 2hg3 h ILE 150 Cb 1.18 0.78 -0.05 0.00 -3.03 0.00 0.00 36.82 35.71 2hg3 h ILE 150 CO 0.15 0.01 -2.06 0.79 -0.68 0.00 0.00 178.15 176.36 2hg3 n TRP 151 N -5.17 0.28 0.18 1.37 7.02 -1.26 -4.28 117.44 115.58 2hg3 n TRP 151 Ca -0.02 0.10 0.03 0.00 -1.02 0.00 0.00 57.50 56.59 2hg3 n TRP 151 Cb 0.12 -0.93 0.33 0.00 -2.42 0.00 0.00 31.31 28.41 2hg3 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2hg3 h THR 152 N 0.00 1.15 0.00 -0.99 1.35 -1.88 -1.90 112.91 110.64 2hg3 h THR 152 Ca -0.33 -1.54 -0.11 0.00 -0.55 0.00 0.00 66.41 63.88 2hg3 h THR 152 Cb 1.83 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 70.10 2hg3 h THR 152 CO 0.03 0.42 -0.52 1.12 -0.25 0.00 0.00 175.52 176.31 2hg3 h HIS 153 N 0.00 0.00 -0.43 4.73 2.07 -1.48 -2.33 115.15 117.71 2hg3 h HIS 153 Ca -0.00 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.39 2hg3 h HIS 153 Cb 0.83 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.80 2hg3 h HIS 153 CO 0.00 0.52 -0.22 -0.07 -3.07 0.00 0.00 177.93 175.10 2hg3 h LEU 154 N 0.00 0.88 -1.29 6.12 4.07 -1.56 -1.46 115.31 122.07 2hg3 h LEU 154 Ca -0.01 -0.32 0.05 0.00 0.08 0.00 0.00 57.88 57.68 2hg3 h LEU 154 Cb 1.00 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.45 2hg3 h LEU 154 CO 0.07 1.07 0.51 0.44 -1.08 0.00 0.00 178.44 179.45 2hg3 h ASP 155 N 0.75 0.77 -0.39 -0.43 3.32 -1.03 -2.12 116.42 117.29 2hg3 h ASP 155 Ca 0.10 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.00 2hg3 h ASP 155 Cb 0.76 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2hg3 h ASP 155 CO 0.06 0.51 -0.33 -0.25 -1.72 0.00 0.00 179.24 177.51 2hg3 h TRP 156 N 0.88 1.10 -0.19 4.55 7.01 -0.89 0.57 115.95 128.99 2hg3 h TRP 156 Ca 0.33 -0.31 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 2hg3 h TRP 156 Cb 0.18 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 2hg3 h TRP 156 CO -0.00 1.13 0.11 0.28 -2.79 0.00 0.00 178.44 177.16 2hg3 h VAL 157 N 0.78 1.10 -0.26 2.65 2.07 -1.00 0.17 116.25 121.77 2hg3 h VAL 157 Ca 0.08 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2hg3 h VAL 157 Cb 0.91 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2hg3 h VAL 157 CO 0.08 0.10 -0.15 -1.28 0.02 0.00 0.00 177.57 176.34 2hg3 h SER 158 N 0.21 0.58 -0.76 0.57 0.87 -1.24 0.00 113.55 113.78 2hg3 h SER 158 Ca 0.07 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 2hg3 h SER 158 Cb 0.06 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2hg3 h SER 158 CO -0.01 0.88 0.35 0.78 -0.53 0.00 0.00 176.83 178.30 2hg3 h ASN 159 N 0.28 1.01 -0.48 6.23 2.35 -0.79 -1.89 115.58 122.29 2hg3 h ASN 159 Ca 0.05 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2hg3 h ASN 159 Cb 0.68 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2hg3 h ASN 159 CO 0.04 0.87 0.19 0.74 -1.65 0.00 0.00 177.43 177.63 2hg3 h THR 160 N 1.08 1.21 -0.22 2.81 2.02 -0.43 -1.61 112.91 117.77 2hg3 h THR 160 Ca 0.26 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2hg3 h THR 160 Cb 0.15 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2hg3 h THR 160 CO -0.03 0.24 0.04 1.23 0.37 0.00 0.00 175.52 177.37 2hg3 h GLY 161 N 0.63 0.38 2.00 2.16 0.00 -0.82 -2.72 103.07 104.69 2hg3 h GLY 161 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.24 2hg3 h GLY 161 CO -0.01 0.23 0.00 -1.72 0.00 0.00 0.00 176.54 175.04 2hg3 n TYR 162 N -4.73 0.53 0.05 5.60 4.01 -0.73 -1.05 117.16 120.83 2hg3 n TYR 162 Ca -0.04 0.19 0.18 0.00 -0.16 0.00 0.00 57.90 58.08 2hg3 n TYR 162 Cb 0.19 -0.81 0.69 0.00 -0.31 0.00 0.00 39.34 39.09 2hg3 n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2hg3 h THR 163 N 0.00 0.77 -0.47 -0.72 2.02 -0.96 -2.52 112.91 111.03 2hg3 h THR 163 Ca 0.00 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.90 2hg3 h THR 163 Cb 0.40 0.78 -0.17 0.00 -1.74 0.00 0.00 68.15 67.42 2hg3 h THR 163 CO 0.00 0.00 -0.10 -1.22 0.37 0.00 0.00 175.52 174.57 2hg3 n TYR 164 N -4.39 1.53 -4.22 3.16 4.01 -0.22 -4.85 117.16 112.19 2hg3 n TYR 164 Ca 0.08 -1.83 0.00 0.00 -0.16 0.00 0.00 57.90 55.99 2hg3 n TYR 164 Cb 0.52 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2hg3 n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hg3 n GLY 165 N -1.05 0.15 3.63 2.72 0.00 -0.95 -2.03 105.19 107.66 2hg3 n GLY 165 Ca 0.38 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 2hg3 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hg3 s ASN 166 N -4.00 6.66 0.54 1.61 3.84 -1.26 -3.70 114.94 118.63 2hg3 s ASN 166 Ca 0.00 1.14 0.36 0.00 0.21 0.00 0.00 52.86 54.57 2hg3 s ASN 166 Cb 0.00 -2.54 1.69 0.00 -0.55 0.00 0.00 41.25 39.84 2hg3 s ASN 166 CO 0.00 -1.10 2.07 0.15 -2.79 0.00 0.00 177.10 175.43 2hg3 h PHE 167 N 9.31 0.00 -1.25 0.43 3.57 -1.80 -2.64 116.94 124.57 2hg3 h PHE 167 Ca -0.26 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.60 2hg3 h PHE 167 Cb 1.09 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.78 2hg3 h PHE 167 CO 0.89 0.00 0.93 0.45 -2.23 0.00 0.00 178.31 178.35 2hg3 h HIS 168 N 0.00 0.00 -0.00 0.41 3.86 -1.95 -0.56 115.15 116.91 2hg3 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2hg3 h HIS 168 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2hg3 h HIS 168 CO 0.00 0.00 -0.04 0.66 0.86 0.00 0.00 177.93 179.41 2hg3 n TYR 169 N -4.08 0.00 -1.96 2.45 4.02 -0.99 -4.59 117.16 112.00 2hg3 n TYR 169 Ca 0.27 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.73 2hg3 n TYR 169 Cb 1.33 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 40.25 2hg3 n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2hg3 s ASN 170 N -2.78 6.31 0.28 7.72 3.84 -0.22 -4.68 114.94 125.40 2hg3 s ASN 170 Ca 0.21 1.90 0.06 0.00 0.21 0.00 0.00 52.86 55.24 2hg3 s ASN 170 Cb 0.20 -2.53 0.40 0.00 -0.55 0.00 0.00 41.25 38.76 2hg3 s ASN 170 CO 0.51 -1.27 1.66 1.55 -2.79 0.00 0.00 177.10 176.76 2hg3 h PRO 171 N 11.12 0.26 -0.10 0.43 0.13 -1.89 -1.68 132.00 140.26 2hg3 h PRO 171 Ca -0.38 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2hg3 h PRO 171 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2hg3 h PRO 171 CO 0.98 0.66 -0.17 0.00 -0.23 0.00 0.00 178.00 179.24 2hg3 h ALA 172 N 1.32 1.52 -0.16 -0.56 0.00 -1.91 -2.53 119.26 116.94 2hg3 h ALA 172 Ca 0.01 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 2hg3 h ALA 172 Cb 0.88 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2hg3 h ALA 172 CO 0.07 0.35 -0.65 1.25 0.00 0.00 0.00 179.25 180.27 2hg3 h HIS 173 N 0.16 0.76 -0.75 0.00 6.17 -1.58 -0.45 115.15 119.45 2hg3 h HIS 173 Ca 0.03 -0.30 -0.03 0.00 0.71 0.00 0.00 60.37 60.78 2hg3 h HIS 173 Cb 0.41 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 30.17 2hg3 h HIS 173 CO 0.00 1.07 0.34 0.52 0.71 0.00 0.00 177.93 180.57 2hg3 h MET 174 N 0.42 1.10 -0.30 5.26 2.86 -1.04 -0.81 114.93 122.42 2hg3 h MET 174 Ca -0.01 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 2hg3 h MET 174 Cb 1.22 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2hg3 h MET 174 CO 0.12 0.88 -0.00 0.82 1.06 0.00 0.00 176.91 179.78 2hg3 h ILE 175 N 1.07 1.26 -0.24 -1.22 2.04 -1.14 -1.72 117.51 117.57 2hg3 h ILE 175 Ca 0.26 -0.95 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2hg3 h ILE 175 Cb 0.16 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 2hg3 h ILE 175 CO -0.03 0.31 -0.22 0.00 0.00 0.00 0.00 178.15 178.21 2hg3 h ALA 176 N 0.84 -0.09 -0.44 1.87 0.00 -0.74 -1.68 119.26 119.02 2hg3 h ALA 176 Ca 0.09 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2hg3 h ALA 176 Cb 0.44 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2hg3 h ALA 176 CO 0.02 -0.64 0.24 0.82 0.00 0.00 0.00 179.25 179.68 2hg3 h ILE 177 N -0.22 1.00 -0.57 0.00 2.04 -1.09 -0.75 117.51 117.92 2hg3 h ILE 177 Ca 0.14 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2hg3 h ILE 177 Cb 0.43 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2hg3 h ILE 177 CO -0.37 0.09 0.27 0.28 0.00 0.00 0.00 178.15 178.42 2hg3 h SER 178 N 0.47 0.35 -0.23 1.72 0.02 -0.74 -0.53 113.55 114.60 2hg3 h SER 178 Ca 0.19 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2hg3 h SER 178 Cb 0.07 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2hg3 h SER 178 CO -0.11 0.23 0.12 -0.26 -1.14 0.00 0.00 176.83 175.66 2hg3 h PHE 179 N 0.50 0.22 -0.93 3.45 0.04 -0.76 0.12 116.94 119.57 2hg3 h PHE 179 Ca 0.27 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.11 2hg3 h PHE 179 Cb 0.24 -0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 2hg3 h PHE 179 CO -0.12 0.13 0.59 0.74 -0.60 0.00 0.00 178.31 179.05 2hg3 h PHE 180 N 0.25 1.10 -0.06 -0.55 0.04 -0.45 0.15 116.94 117.43 2hg3 h PHE 180 Ca 0.09 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.75 2hg3 h PHE 180 Cb 0.02 -0.36 0.01 0.00 2.20 0.00 0.00 35.95 37.82 2hg3 h PHE 180 CO -0.09 0.58 -0.52 0.74 -0.60 0.00 0.00 178.31 178.41 2hg3 h PHE 181 N 1.09 0.65 -0.52 -0.55 0.04 -0.84 -2.53 116.94 114.27 2hg3 h PHE 181 Ca 0.40 -0.31 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2hg3 h PHE 181 Cb 0.15 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2hg3 h PHE 181 CO -0.02 1.09 0.16 1.15 -0.60 0.00 0.00 178.31 180.10 2hg3 h THR 182 N 0.01 1.21 0.14 -1.55 2.02 -0.48 -0.87 112.91 113.39 2hg3 h THR 182 Ca -0.05 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 2hg3 h THR 182 Cb 1.19 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2hg3 h THR 182 CO 0.11 0.27 -0.09 -1.13 0.37 0.00 0.00 175.52 175.04 2hg3 h ASN 183 N 0.76 -0.24 -0.60 4.18 -1.24 -0.91 0.12 115.58 117.64 2hg3 h ASN 183 Ca 0.17 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.25 2hg3 h ASN 183 Cb 0.23 0.07 -0.05 0.00 0.73 0.00 0.00 38.32 39.30 2hg3 h ASN 183 CO -0.01 -0.15 0.32 0.00 -1.29 0.00 0.00 177.43 176.30 2hg3 h ALA 184 N 0.61 0.80 -0.16 1.57 0.00 -1.21 0.83 119.26 121.71 2hg3 h ALA 184 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2hg3 h ALA 184 Cb 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2hg3 h ALA 184 CO 0.01 -0.01 -0.29 1.25 0.00 0.00 0.00 179.25 180.21 2hg3 h LEU 185 N 0.61 -0.90 -0.64 0.00 6.46 -0.78 -1.67 115.31 118.39 2hg3 h LEU 185 Ca 0.27 0.14 0.10 0.00 -0.12 0.00 0.00 57.88 58.27 2hg3 h LEU 185 Cb 0.17 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 40.42 2hg3 h LEU 185 CO -0.18 -0.33 0.25 0.00 -0.62 0.00 0.00 178.44 177.57 2hg3 h ALA 186 N 0.55 0.84 -0.35 1.25 0.00 0.26 -0.98 119.26 120.82 2hg3 h ALA 186 Ca 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2hg3 h ALA 186 Cb 0.51 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2hg3 h ALA 186 CO -0.35 -0.18 -0.05 1.25 0.00 0.00 0.00 179.25 179.92 2hg3 h LEU 187 N 0.43 0.65 0.03 0.00 5.85 -0.61 0.12 115.31 121.79 2hg3 h LEU 187 Ca 0.33 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2hg3 h LEU 187 Cb 0.41 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2hg3 h LEU 187 CO -0.32 0.84 -0.26 0.00 -0.34 0.00 0.00 178.44 178.36 2hg3 h ALA 188 N 0.84 -0.37 -0.43 1.25 0.00 -0.90 -0.96 119.26 118.68 2hg3 h ALA 188 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2hg3 h ALA 188 Cb 0.53 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2hg3 h ALA 188 CO 0.03 -0.77 0.16 -0.07 0.00 0.00 0.00 179.25 178.60 2hg3 h LEU 189 N -0.41 0.60 -0.09 0.00 3.38 -0.94 -0.56 115.31 117.28 2hg3 h LEU 189 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2hg3 h LEU 189 Cb 0.48 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2hg3 h LEU 189 CO -0.21 0.62 -0.02 -0.74 0.09 0.00 0.00 178.44 178.19 2hg3 h HIS 190 N 0.55 0.18 -0.47 1.13 2.76 -0.51 0.30 115.15 119.09 2hg3 h HIS 190 Ca 0.14 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2hg3 h HIS 190 Cb 0.21 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 2hg3 h HIS 190 CO 0.00 0.47 0.17 0.78 -1.30 0.00 0.00 177.93 178.05 2hg3 h GLY 191 N -0.15 0.62 1.53 5.26 0.00 -1.10 -1.84 103.07 107.39 2hg3 h GLY 191 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 2hg3 h GLY 191 CO 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 176.54 176.47 2hg3 h ALA 192 N 1.31 1.21 0.01 3.60 0.00 -0.69 -2.18 119.26 122.53 2hg3 h ALA 192 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hg3 h ALA 192 Cb 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2hg3 h ALA 192 CO -0.23 0.51 -0.00 1.25 0.00 0.00 0.00 179.25 180.78 2hg3 h LEU 193 N 0.53 -0.01 -0.89 0.00 5.85 0.38 0.13 115.31 121.30 2hg3 h LEU 193 Ca 0.10 -0.75 0.08 0.00 0.84 0.00 0.00 57.88 58.15 2hg3 h LEU 193 Cb 0.48 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2hg3 h LEU 193 CO 0.03 0.76 0.54 0.58 -0.34 0.00 0.00 178.44 180.01 2hg3 h VAL 194 N -0.79 1.00 -0.21 1.05 2.07 -1.39 -1.62 116.25 116.36 2hg3 h VAL 194 Ca -0.00 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 2hg3 h VAL 194 Cb 0.76 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 2hg3 h VAL 194 CO 0.00 0.17 -0.49 -0.07 0.02 0.00 0.00 177.57 177.21 2hg3 h LEU 195 N 0.95 0.63 -1.72 2.57 3.38 -1.37 0.13 115.31 119.88 2hg3 h LEU 195 Ca 0.40 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2hg3 h LEU 195 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hg3 h LEU 195 CO -0.20 1.01 -0.18 0.77 0.09 0.00 0.00 178.44 179.93 2hg3 h SER 196 N 0.46 0.00 0.27 -0.43 4.64 -0.23 0.53 113.55 118.79 2hg3 h SER 196 Ca 0.02 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.00 2hg3 h SER 196 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2hg3 h SER 196 CO 0.09 0.18 -1.76 0.00 -0.87 0.00 0.00 176.83 174.47 2hg3 h ALA 197 N 1.82 0.31 0.00 5.18 0.00 -0.79 -3.32 119.26 122.46 2hg3 h ALA 197 Ca -0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 54.91 53.67 2hg3 h ALA 197 Cb 0.36 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2hg3 h ALA 197 CO 0.02 1.18 -0.06 0.00 0.00 0.00 0.00 179.25 180.40 2hg3 h ALA 198 N 0.28 0.98 -2.16 0.00 0.00 -0.42 -1.89 119.26 116.05 2hg3 h ALA 198 Ca -0.33 -0.05 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 2hg3 h ALA 198 Cb 2.05 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 19.44 2hg3 h ALA 198 CO 0.14 0.07 -0.91 0.09 0.00 0.00 0.00 179.25 178.64 2hg3 n ASN 199 N -3.14 1.33 -2.82 0.00 3.02 0.15 -4.83 115.26 108.97 2hg3 n ASN 199 Ca 0.02 -2.91 -0.13 0.00 -0.03 0.00 0.00 54.58 51.53 2hg3 n ASN 199 Cb 0.43 -0.65 0.09 0.00 -0.61 0.00 0.00 39.78 39.05 2hg3 n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2hg3 n PRO 200 N 1.43 -0.60 -1.11 3.52 -0.04 -1.25 -4.66 135.00 132.28 2hg3 n PRO 200 Ca 0.25 -0.88 -0.34 0.00 -0.04 0.00 0.00 63.50 62.48 2hg3 n PRO 200 Cb 0.48 -0.60 0.12 0.00 -0.04 0.00 0.00 33.50 33.47 2hg3 n PRO 200 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hg3 n GLU 201 N -2.24 0.18 -1.65 0.54 1.02 -1.26 -4.79 120.64 112.45 2hg3 n GLU 201 Ca 0.07 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.92 2hg3 n GLU 201 Cb 0.25 -2.37 -0.03 0.00 -0.02 0.00 0.00 31.44 29.26 2hg3 n GLU 201 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2hg3 s LYS 202 N -3.99 3.84 0.00 3.49 2.20 -1.26 -1.42 119.74 122.60 2hg3 s LYS 202 Ca 0.72 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.79 2hg3 s LYS 202 Cb -0.29 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.80 2hg3 s LYS 202 CO 0.52 -1.30 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2hg3 n GLY 203 N 4.91 1.85 3.93 5.54 0.00 -1.26 -5.08 105.19 115.08 2hg3 n GLY 203 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2hg3 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hg3 s LYS 204 N -0.84 2.70 0.48 1.61 1.02 -0.51 -5.06 119.74 119.13 2hg3 s LYS 204 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 55.97 55.61 2hg3 s LYS 204 Cb 0.00 -2.30 -0.09 0.00 -0.52 0.00 0.00 37.83 34.93 2hg3 s LYS 204 CO 0.00 -0.81 0.96 -1.21 -0.92 0.00 0.00 175.35 173.37 2hg3 s GLU 205 N -4.99 4.04 0.19 1.68 2.02 -1.26 -4.85 118.70 115.52 2hg3 s GLU 205 Ca 0.55 0.98 -0.32 0.00 0.02 0.00 0.00 54.97 56.20 2hg3 s GLU 205 Cb -0.11 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 31.80 2hg3 s GLU 205 CO 0.44 -0.17 1.17 -1.33 0.02 0.00 0.00 175.26 175.39 2hg3 n MET 206 N -1.22 1.25 -1.59 1.61 2.81 -1.26 -4.77 117.12 113.94 2hg3 n MET 206 Ca 0.06 0.44 -0.30 0.00 -1.81 0.00 0.00 57.70 56.10 2hg3 n MET 206 Cb 0.54 -1.94 0.19 0.00 -0.71 0.00 0.00 33.22 31.29 2hg3 n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2hg3 s ARG 207 N -0.47 0.23 0.28 0.03 3.00 -0.71 -5.05 118.95 116.26 2hg3 s ARG 207 Ca 0.72 -0.15 0.09 0.00 0.00 0.00 0.00 55.73 56.39 2hg3 s ARG 207 Cb -0.82 -1.77 -0.06 0.00 0.00 0.00 0.00 34.95 32.30 2hg3 s ARG 207 CO 0.53 -2.73 -0.12 0.95 0.00 0.00 0.00 175.30 173.92 2hg3 s THR 208 N -3.49 2.02 0.51 0.02 -4.23 -1.26 -4.78 115.64 104.43 2hg3 s THR 208 Ca 0.71 -2.23 0.22 0.00 -1.18 0.00 0.00 61.69 59.20 2hg3 s THR 208 Cb -0.08 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.74 2hg3 s THR 208 CO 0.54 -0.35 2.02 -0.65 -0.54 0.00 0.00 174.62 175.63 2hg3 h PRO 209 N 2.26 0.08 -0.76 3.99 0.10 -1.99 -0.33 132.00 135.35 2hg3 h PRO 209 Ca -0.40 -0.00 0.09 0.00 0.10 0.00 0.00 66.00 65.78 2hg3 h PRO 209 Cb 1.24 -0.02 -0.07 0.00 0.10 0.00 0.00 31.00 32.25 2hg3 h PRO 209 CO 0.65 0.05 0.41 -0.44 0.10 0.00 0.00 178.00 178.78 2hg3 h ASP 210 N 0.08 0.58 -0.44 -2.05 5.19 -1.99 0.37 116.42 118.15 2hg3 h ASP 210 Ca 0.22 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2hg3 h ASP 210 Cb 0.77 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 2hg3 h ASP 210 CO -0.02 0.34 0.29 0.45 -3.12 0.00 0.00 179.24 177.18 2hg3 h HIS 211 N 0.70 0.56 -0.09 4.55 3.86 -1.46 0.16 115.15 123.44 2hg3 h HIS 211 Ca 0.36 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.56 2hg3 h HIS 211 Cb 0.33 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 2hg3 h HIS 211 CO -0.08 0.36 -0.06 0.93 0.86 0.00 0.00 177.93 179.94 2hg3 h GLU 212 N 0.61 0.20 -0.32 2.45 5.08 -0.61 0.45 114.58 122.44 2hg3 h GLU 212 Ca 0.16 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2hg3 h GLU 212 Cb -0.06 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2hg3 h GLU 212 CO -0.03 0.58 0.12 -0.44 -1.00 0.00 0.00 179.01 178.24 2hg3 h ASP 213 N -0.18 0.15 -0.82 1.42 3.45 -0.96 -2.53 116.42 116.94 2hg3 h ASP 213 Ca 0.02 0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2hg3 h ASP 213 Cb 0.53 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.26 2hg3 h ASP 213 CO 0.02 0.12 0.47 0.74 -1.57 0.00 0.00 179.24 179.02 2hg3 h THR 214 N 0.27 1.24 0.09 0.35 2.02 -0.48 -1.71 112.91 114.69 2hg3 h THR 214 Ca 0.14 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.78 2hg3 h THR 214 Cb 0.10 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 2hg3 h THR 214 CO -0.13 0.26 -0.24 0.15 0.37 0.00 0.00 175.52 175.92 2hg3 h PHE 215 N 1.14 -0.65 -0.13 3.16 3.57 -0.66 0.13 116.94 123.49 2hg3 h PHE 215 Ca 0.29 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 2hg3 h PHE 215 Cb 0.00 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2hg3 h PHE 215 CO 0.00 -0.34 -0.21 0.74 -2.23 0.00 0.00 178.31 176.27 2hg3 h PHE 216 N -0.43 0.24 -0.10 0.41 -1.00 -1.27 -1.95 116.94 112.83 2hg3 h PHE 216 Ca 0.04 -0.04 -0.15 0.00 2.81 0.00 0.00 57.97 60.63 2hg3 h PHE 216 Cb 0.47 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 39.97 2hg3 h PHE 216 CO -0.24 0.42 -0.54 0.00 -1.61 0.00 0.00 178.31 176.35 2hg3 h ARG 217 N 0.20 0.55 -0.86 1.51 3.08 -0.93 0.13 114.38 118.06 2hg3 h ARG 217 Ca 0.04 -0.45 0.11 0.00 0.07 0.00 0.00 59.98 59.75 2hg3 h ARG 217 Cb 0.50 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.56 2hg3 h ARG 217 CO 0.03 1.08 0.49 -0.44 -1.07 0.00 0.00 179.97 180.06 2hg3 h ASP 218 N 0.15 0.68 0.03 7.04 3.32 -0.88 -0.08 116.42 126.69 2hg3 h ASP 218 Ca -0.04 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2hg3 h ASP 218 Cb 1.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2hg3 h ASP 218 CO 0.11 0.37 -0.02 0.25 -1.72 0.00 0.00 179.24 178.23 2hg3 h LEU 219 N 0.79 -0.04 -0.21 1.55 5.85 -1.16 -3.41 115.31 118.68 2hg3 h LEU 219 Ca 0.43 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2hg3 h LEU 219 Cb 0.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2hg3 h LEU 219 CO -0.28 0.58 -0.23 1.33 -0.34 0.00 0.00 178.44 179.50 2hg3 n VAL 220 N -4.77 0.00 -0.50 1.05 0.24 0.42 -5.00 118.33 109.77 2hg3 n VAL 220 Ca -0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2hg3 n VAL 220 Cb 0.14 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2hg3 n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hg3 n GLY 221 N 1.01 0.74 3.50 7.63 0.00 -0.04 -4.99 105.19 113.03 2hg3 n GLY 221 Ca 0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2hg3 n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2hg3 s TYR 222 N -2.00 -0.63 -0.07 1.61 5.04 -1.23 -4.89 117.35 115.19 2hg3 s TYR 222 Ca 0.00 1.37 0.03 0.00 -2.44 0.00 0.00 57.07 56.03 2hg3 s TYR 222 Cb 0.00 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.59 2hg3 s TYR 222 CO 0.00 -0.42 -0.14 0.45 -1.34 0.00 0.00 175.55 174.11 2hg3 s SER 223 N -0.28 1.95 0.17 4.32 0.15 -1.26 -3.94 113.70 114.81 2hg3 s SER 223 Ca -0.05 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.30 2hg3 s SER 223 Cb -0.03 -0.90 0.01 0.00 -1.71 0.00 0.00 66.02 63.39 2hg3 s SER 223 CO 0.04 0.05 1.39 -0.29 1.20 0.00 0.00 173.24 175.63 2hg3 h ILE 224 N 5.92 1.49 0.00 6.45 2.10 -1.98 -3.50 117.51 127.99 2hg3 h ILE 224 Ca -0.29 -2.58 0.00 0.00 1.08 0.00 0.00 64.86 63.07 2hg3 h ILE 224 Cb 1.19 2.43 0.00 0.00 -1.09 0.00 0.00 36.82 39.36 2hg3 h ILE 224 CO 0.47 0.75 0.00 0.61 -1.08 0.00 0.00 178.15 178.91 2hg3 n GLY 225 N 0.84 1.48 0.18 8.18 0.00 -1.26 -4.20 105.19 110.41 2hg3 n GLY 225 Ca -0.04 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.11 2hg3 n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hg3 h THR 226 N 0.00 0.77 0.09 2.61 1.35 -1.97 -0.37 112.91 115.39 2hg3 h THR 226 Ca 0.00 -1.63 -0.14 0.00 -0.55 0.00 0.00 66.41 64.09 2hg3 h THR 226 Cb 0.00 2.05 0.02 0.00 -1.73 0.00 0.00 68.15 68.48 2hg3 h THR 226 CO 0.00 0.36 -0.62 0.25 -0.25 0.00 0.00 175.52 175.26 2hg3 h LEU 227 N 0.00 0.39 -0.55 3.87 5.85 -2.01 -3.36 115.31 119.50 2hg3 h LEU 227 Ca -0.00 -0.92 0.11 0.00 0.84 0.00 0.00 57.88 57.91 2hg3 h LEU 227 Cb 1.02 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 2hg3 h LEU 227 CO 0.05 1.28 0.01 1.23 -0.34 0.00 0.00 178.44 180.66 2hg3 h GLY 228 N -0.43 0.58 2.00 3.75 0.00 -1.65 -1.45 103.07 105.87 2hg3 h GLY 228 Ca -0.10 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2hg3 h GLY 228 CO 0.12 -0.16 -0.15 1.19 0.00 0.00 0.00 176.54 177.54 2hg3 h ILE 229 N 0.13 1.07 0.06 2.60 6.09 -1.22 0.35 117.51 126.58 2hg3 h ILE 229 Ca 0.28 -0.51 -0.28 0.00 -1.37 0.00 0.00 64.86 62.98 2hg3 h ILE 229 Cb 0.44 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 38.98 2hg3 h ILE 229 CO -0.46 0.14 -1.43 0.45 -3.07 0.00 0.00 178.15 173.79 2hg3 h HIS 230 N 0.00 0.23 -0.63 2.19 3.86 -1.56 -0.94 115.15 118.29 2hg3 h HIS 230 Ca -0.00 -0.17 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2hg3 h HIS 230 Cb 0.27 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2hg3 h HIS 230 CO 0.00 1.20 0.38 0.00 0.86 0.00 0.00 177.93 180.37 2hg3 h ARG 231 N 0.03 0.85 0.14 2.45 3.08 -0.42 -2.81 114.38 117.69 2hg3 h ARG 231 Ca -0.19 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2hg3 h ARG 231 Cb 1.95 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.82 2hg3 h ARG 231 CO 0.13 0.59 -0.07 1.25 -1.07 0.00 0.00 179.97 180.81 2hg3 h LEU 232 N 0.86 -0.16 -0.76 3.04 5.85 -0.09 -1.48 115.31 122.58 2hg3 h LEU 232 Ca 0.23 -0.39 0.16 0.00 0.84 0.00 0.00 57.88 58.72 2hg3 h LEU 232 Cb -0.04 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.92 2hg3 h LEU 232 CO -0.04 0.41 0.25 1.23 -0.34 0.00 0.00 178.44 179.95 2hg3 h GLY 233 N -0.83 1.13 0.75 3.75 0.00 -1.25 0.26 103.07 106.88 2hg3 h GLY 233 Ca -0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2hg3 h GLY 233 CO 0.03 -0.17 -0.04 -2.00 0.00 0.00 0.00 176.54 174.37 2hg3 h LEU 234 N 0.36 -0.09 -0.84 3.11 5.85 -1.44 -2.38 115.31 119.87 2hg3 h LEU 234 Ca 0.43 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2hg3 h LEU 234 Cb 0.72 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2hg3 h LEU 234 CO -0.47 0.17 0.53 0.25 -0.34 0.00 0.00 178.44 178.59 2hg3 h LEU 235 N -0.36 0.87 0.01 2.25 7.12 -0.33 -1.64 115.31 123.23 2hg3 h LEU 235 Ca -0.01 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 2hg3 h LEU 235 Cb 0.31 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2hg3 h LEU 235 CO 0.02 0.58 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.84 2hg3 h LEU 236 N 1.02 -0.01 -0.18 2.25 3.38 -0.46 0.21 115.31 121.51 2hg3 h LEU 236 Ca 0.35 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2hg3 h LEU 236 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hg3 h LEU 236 CO -0.13 0.21 -0.40 0.77 0.09 0.00 0.00 178.44 178.97 2hg3 h SER 237 N -0.23 0.67 -0.86 -0.43 4.64 -1.30 0.89 113.55 116.92 2hg3 h SER 237 Ca -0.00 -0.56 -0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2hg3 h SER 237 Cb 0.22 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 2hg3 h SER 237 CO 0.00 1.10 0.52 -0.07 -0.87 0.00 0.00 176.83 177.51 2hg3 h LEU 238 N 0.26 1.03 -0.61 5.97 3.38 -1.31 -2.20 115.31 121.84 2hg3 h LEU 238 Ca 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2hg3 h LEU 238 Cb 1.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2hg3 h LEU 238 CO 0.09 0.80 0.22 0.28 0.09 0.00 0.00 178.44 179.92 2hg3 h SER 239 N 1.18 0.86 -0.63 -0.43 0.02 -0.22 0.80 113.55 115.12 2hg3 h SER 239 Ca 0.31 -0.19 0.13 0.00 -0.84 0.00 0.00 61.79 61.20 2hg3 h SER 239 Cb -0.05 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 62.17 2hg3 h SER 239 CO -0.06 0.81 0.11 0.00 -1.14 0.00 0.00 176.83 176.55 2hg3 h ALA 240 N 1.08 0.74 0.04 3.77 0.00 -0.37 -1.48 119.26 123.03 2hg3 h ALA 240 Ca 0.20 0.15 -0.24 0.00 0.00 0.00 0.00 54.91 55.02 2hg3 h ALA 240 Cb 0.24 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2hg3 h ALA 240 CO -0.01 -0.34 -1.03 0.28 0.00 0.00 0.00 179.25 178.15 2hg3 h VAL 241 N 0.23 1.41 -0.25 0.00 2.07 -0.99 -1.96 116.25 116.76 2hg3 h VAL 241 Ca 0.34 -2.57 0.02 0.00 0.82 0.00 0.00 66.70 65.32 2hg3 h VAL 241 Cb 0.53 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 2hg3 h VAL 241 CO -0.46 0.76 0.09 0.15 0.02 0.00 0.00 177.57 178.14 2hg3 h PHE 242 N 0.21 0.17 0.00 1.57 3.57 -0.37 -0.89 116.94 121.19 2hg3 h PHE 242 Ca -0.10 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 2hg3 h PHE 242 Cb 1.69 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 2hg3 h PHE 242 CO 0.07 0.08 -0.25 0.74 -2.23 0.00 0.00 178.31 176.71 2hg3 h PHE 243 N 0.21 0.00 0.11 0.41 0.04 -1.28 -0.63 116.94 115.79 2hg3 h PHE 243 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2hg3 h PHE 243 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2hg3 h PHE 243 CO -0.12 0.25 -0.05 0.77 -0.60 0.00 0.00 178.31 178.56 2hg3 h SER 244 N 0.00 -0.12 -0.73 2.17 0.02 -0.81 0.67 113.55 114.75 2hg3 h SER 244 Ca -0.00 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2hg3 h SER 244 Cb 0.82 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2hg3 h SER 244 CO 0.03 0.13 0.48 0.00 -1.14 0.00 0.00 176.83 176.34 2hg3 h ALA 245 N 0.49 1.55 -0.26 3.77 0.00 -0.89 -2.73 119.26 121.19 2hg3 h ALA 245 Ca -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2hg3 h ALA 245 Cb 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2hg3 h ALA 245 CO 0.02 0.38 -0.38 1.25 0.00 0.00 0.00 179.25 180.52 2hg3 h LEU 246 N 0.91 0.79 -2.00 0.00 5.85 -0.93 -1.14 115.31 118.79 2hg3 h LEU 246 Ca 0.29 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2hg3 h LEU 246 Cb 0.02 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2hg3 h LEU 246 CO -0.08 1.15 -0.02 0.00 -0.34 0.00 0.00 178.44 179.15 2hg3 n MET 248 N -3.15 0.68 -0.01 0.00 2.81 -1.05 -3.79 117.12 112.61 2hg3 n MET 248 Ca -0.01 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2hg3 n MET 248 Cb 0.23 -1.58 0.33 0.00 -0.71 0.00 0.00 33.22 31.49 2hg3 n MET 248 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2hg3 h ILE 249 N 0.00 1.17 0.00 2.02 6.09 -0.90 -1.78 117.51 124.11 2hg3 h ILE 249 Ca -0.49 -0.63 -0.04 0.00 -1.37 0.00 0.00 64.86 62.33 2hg3 h ILE 249 Cb 2.20 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 40.29 2hg3 h ILE 249 CO 0.04 0.23 -0.20 0.16 -3.07 0.00 0.00 178.15 175.30 2hg3 h ILE 250 N 0.53 0.36 -3.36 2.19 3.07 -1.64 -3.42 117.51 115.24 2hg3 h ILE 250 Ca 0.12 -1.42 -0.60 0.00 1.55 0.00 0.00 64.86 64.51 2hg3 h ILE 250 Cb 0.22 2.10 -0.10 0.00 -0.27 0.00 0.00 36.82 38.78 2hg3 h ILE 250 CO -0.00 0.20 0.38 -0.89 -1.05 0.00 0.00 178.15 176.79 2hg3 s THR 251 N -3.19 4.86 0.00 0.16 2.01 -0.67 -1.79 115.64 117.02 2hg3 s THR 251 Ca 0.05 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2hg3 s THR 251 Cb 0.07 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2hg3 s THR 251 CO 0.69 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 2hg3 n GLY 252 N 3.95 0.44 0.66 4.40 0.00 0.78 -4.90 105.19 110.52 2hg3 n GLY 252 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2hg3 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hg3 n THR 253 N -2.00 0.00 0.06 2.61 -2.24 -1.17 -4.84 114.28 106.70 2hg3 n THR 253 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2hg3 n THR 253 Cb 0.00 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.65 2hg3 n THR 253 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2hg3 h ILE 254 N 0.00 1.20 -3.49 2.28 3.07 -1.72 -3.44 117.51 115.41 2hg3 h ILE 254 Ca 0.00 -2.85 -0.64 0.00 1.55 0.00 0.00 64.86 62.92 2hg3 h ILE 254 Cb 0.00 2.77 -0.33 0.00 -0.27 0.00 0.00 36.82 38.99 2hg3 h ILE 254 CO 0.00 0.82 -0.87 0.86 -1.05 0.00 0.00 178.15 177.91 2hg3 s TRP 255 N -2.62 2.27 0.00 0.16 -0.11 -0.74 -5.01 118.94 112.90 2hg3 s TRP 255 Ca -0.08 -0.87 0.00 0.00 1.22 0.00 0.00 56.10 56.38 2hg3 s TRP 255 Cb 0.07 -1.53 0.00 0.00 -1.50 0.00 0.00 33.47 30.51 2hg3 s TRP 255 CO 0.85 -0.34 0.00 1.97 -4.62 0.00 0.00 176.95 174.81 2hg3 n PHE 256 N 3.46 0.00 -0.75 5.86 1.16 -1.26 -0.15 117.46 125.78 2hg3 n PHE 256 Ca -0.19 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.39 2hg3 n PHE 256 Cb 0.53 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 2hg3 n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2hg3 n ASP 257 N 0.00 0.00 -4.69 5.98 8.00 -1.26 -4.90 116.55 119.68 2hg3 n ASP 257 Ca 0.00 -0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 2hg3 n ASP 257 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 2hg3 n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2hg3 s GLN 258 N 0.88 4.43 0.40 -1.24 -1.52 -1.26 -4.69 119.66 116.67 2hg3 s GLN 258 Ca 0.00 1.47 0.10 0.00 -1.95 0.00 0.00 55.36 54.98 2hg3 s GLN 258 Cb 0.00 -3.52 0.89 0.00 -0.22 0.00 0.00 33.01 30.16 2hg3 s GLN 258 CO 0.00 -0.29 1.99 -1.49 -0.25 0.00 0.00 175.29 175.25 2hg3 h TRP 259 N 7.10 0.56 -0.84 0.91 4.06 -1.71 -1.29 115.95 124.73 2hg3 h TRP 259 Ca -0.34 0.01 0.17 0.00 2.06 0.00 0.00 58.89 60.80 2hg3 h TRP 259 Cb 1.17 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 29.08 2hg3 h TRP 259 CO 0.71 0.30 0.56 -0.24 -3.56 0.00 0.00 178.44 176.20 2hg3 h VAL 260 N 0.56 0.75 0.00 1.49 3.04 -1.83 -1.39 116.25 118.87 2hg3 h VAL 260 Ca 0.26 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 2hg3 h VAL 260 Cb 0.30 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.83 2hg3 h VAL 260 CO -0.08 0.09 0.00 0.44 -1.01 0.00 0.00 177.57 177.01 2hg3 h ASP 261 N 0.47 0.00 -0.51 3.17 3.32 -1.63 -3.04 116.42 118.20 2hg3 h ASP 261 Ca 0.43 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.58 2hg3 h ASP 261 Cb 0.95 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2hg3 h ASP 261 CO -0.16 0.00 0.35 -0.25 -1.72 0.00 0.00 179.24 177.46 2hg3 h TRP 262 N 0.00 0.27 0.00 4.55 7.01 -1.32 -1.06 115.95 125.39 2hg3 h TRP 262 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2hg3 h TRP 262 Cb 0.83 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2hg3 h TRP 262 CO 0.00 0.13 0.00 0.91 -2.79 0.00 0.00 178.44 176.69 2hg3 n TRP 263 N -4.45 0.00 0.31 2.65 7.02 -1.15 -2.66 117.44 119.16 2hg3 n TRP 263 Ca 0.08 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.72 2hg3 n TRP 263 Cb 0.40 -0.16 0.69 0.00 -2.42 0.00 0.00 31.31 29.82 2hg3 n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2hg3 h GLN 264 N 0.00 0.00 -0.41 -0.99 4.20 -1.40 -3.06 115.11 113.46 2hg3 h GLN 264 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2hg3 h GLN 264 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2hg3 h GLN 264 CO 0.00 0.00 0.26 0.11 -0.67 0.00 0.00 178.83 178.53 2hg3 h TRP 265 N 0.00 0.50 -0.10 2.96 5.08 -1.73 -1.84 115.95 120.83 2hg3 h TRP 265 Ca 0.00 0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.98 2hg3 h TRP 265 Cb 0.39 -0.17 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 2hg3 h TRP 265 CO 0.00 0.31 0.05 2.35 -1.28 0.00 0.00 178.44 179.87 2hg3 h TRP 266 N 0.54 0.14 0.00 0.12 2.91 -1.81 -2.72 115.95 115.13 2hg3 h TRP 266 Ca 0.15 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 2hg3 h TRP 266 Cb -0.05 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.56 2hg3 h TRP 266 CO -0.05 0.21 -0.04 0.28 -1.03 0.00 0.00 178.44 177.80 2hg3 h VAL 267 N 0.03 0.17 -0.01 2.65 2.07 -1.43 -2.99 116.25 116.74 2hg3 h VAL 267 Ca 0.03 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2hg3 h VAL 267 Cb 0.12 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2hg3 h VAL 267 CO -0.00 0.04 -0.13 0.29 0.02 0.00 0.00 177.57 177.79 2hg3 n LYS 268 N -3.23 1.37 -1.52 1.57 5.02 -0.72 -4.17 118.16 116.47 2hg3 n LYS 268 Ca -0.01 -0.94 -0.60 0.00 -2.02 0.00 0.00 58.31 54.74 2hg3 n LYS 268 Cb 0.24 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 2hg3 n LYS 268 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hg3 n LEU 269 N 0.23 0.15 0.13 -0.35 4.77 -1.03 -4.48 117.00 116.42 2hg3 n LEU 269 Ca 0.06 1.15 0.02 0.00 -0.03 0.00 0.00 56.01 57.21 2hg3 n LEU 269 Cb 0.28 -0.91 0.35 0.00 -2.33 0.00 0.00 43.42 40.82 2hg3 n LEU 269 CO 0.11 -1.75 0.81 1.55 -1.33 0.00 0.00 177.39 176.78 2hg3 h PRO 270 N 3.24 0.19 -0.96 3.23 0.13 -1.92 0.10 132.00 136.01 2hg3 h PRO 270 Ca -0.50 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.63 2hg3 h PRO 270 Cb 1.41 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.46 2hg3 h PRO 270 CO 0.69 0.42 0.62 0.11 -0.23 0.00 0.00 178.00 179.61 2hg3 h TRP 271 N 0.18 1.15 -0.00 1.56 0.09 -1.99 -3.20 115.95 113.74 2hg3 h TRP 271 Ca 0.03 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.04 2hg3 h TRP 271 Cb 0.51 -0.38 0.00 0.00 0.08 0.00 0.00 29.16 29.37 2hg3 h TRP 271 CO 0.01 0.61 -0.29 -2.67 0.09 0.00 0.00 178.44 176.19 2hg3 n TRP 272 N -4.52 0.00 -0.30 0.12 2.14 -1.11 -4.76 117.44 109.01 2hg3 n TRP 272 Ca 0.14 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.74 2hg3 n TRP 272 Cb 0.16 0.00 0.11 0.00 -0.81 0.00 0.00 31.31 30.76 2hg3 n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2hg3 h ALA 273 N 1.49 0.55 -0.45 -1.67 0.00 -0.78 -2.59 119.26 115.81 2hg3 h ALA 273 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2hg3 h ALA 273 Cb 0.28 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2hg3 h ALA 273 CO 0.00 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 178.94 2hg3 n ASN 274 N -5.55 3.56 -4.71 0.00 5.03 -1.26 -4.92 115.26 107.41 2hg3 n ASN 274 Ca 0.12 -2.00 -0.42 0.00 0.87 0.00 0.00 54.58 53.16 2hg3 n ASN 274 Cb 0.43 -0.29 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 2hg3 n ASN 274 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2hg3 s ILE 275 N -1.40 3.33 1.04 2.41 1.01 -0.98 -5.01 121.20 121.60 2hg3 s ILE 275 Ca 0.40 0.95 -0.17 0.00 0.00 0.00 0.00 60.65 61.83 2hg3 s ILE 275 Cb 0.23 -3.61 0.23 0.00 0.01 0.00 0.00 42.46 39.32 2hg3 s ILE 275 CO 0.32 0.07 1.26 -2.84 0.00 0.00 0.00 174.94 173.75 2hg3 s PRO 276 N 1.17 0.04 0.61 2.79 0.02 -1.26 -4.76 135.00 133.61 2hg3 s PRO 276 Ca 0.65 -0.31 0.00 0.00 0.02 0.00 0.00 61.00 61.36 2hg3 s PRO 276 Cb -0.37 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2hg3 s PRO 276 CO 0.30 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.55 2hg3 n GLY 277 N -2.89 -2.19 7.00 0.52 0.00 -1.23 -4.94 105.19 101.46 2hg3 n GLY 277 Ca 0.15 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.60 2hg3 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hg3 n GLY 278 N -0.21 -0.95 0.22 -0.02 0.00 -1.26 -2.85 105.19 100.12 2hg3 n GLY 278 Ca 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 46.02 45.07 2hg3 n GLY 278 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hg3 h ILE 279 N 0.00 0.46 -1.05 -0.61 1.08 -2.00 -3.35 117.51 112.04 2hg3 h ILE 279 Ca 0.00 -1.19 -0.58 0.00 -0.39 0.00 0.00 64.86 62.70 2hg3 h ILE 279 Cb 0.00 1.86 -0.41 0.00 -3.07 0.00 0.00 36.82 35.20 2hg3 h ILE 279 CO 0.00 0.20 -0.59 0.59 -0.69 0.00 0.00 178.15 177.66 2hg3 n ASN 280 N -3.29 5.17 0.00 1.72 3.02 -1.26 -5.28 115.26 115.35 2hg3 n ASN 280 Ca 0.01 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 2hg3 n ASN 280 Cb 0.47 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2hg3 n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25