#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd6 h ALA 2 N 0.00 1.19 -0.00 -1.46 0.00 -2.00 -1.12 119.26 115.87 3hd6 h ALA 2 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hd6 h ALA 2 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hd6 h ALA 2 CO 0.00 0.10 -0.17 0.91 0.00 0.00 0.00 179.25 180.09 3hd6 n TRP 3 N -3.46 0.00 -2.74 0.00 7.02 -1.26 -4.84 117.44 112.16 3hd6 n TRP 3 Ca -0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.04 3hd6 n TRP 3 Cb 0.22 -0.22 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 3hd6 n TRP 3 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3hd6 s ASN 4 N -2.60 6.43 -0.04 -0.99 3.84 -0.43 -4.86 114.94 116.29 3hd6 s ASN 4 Ca 0.24 -0.05 0.20 0.00 0.21 0.00 0.00 52.86 53.46 3hd6 s ASN 4 Cb 0.19 -2.48 0.65 0.00 -0.55 0.00 0.00 41.25 39.06 3hd6 s ASN 4 CO 0.52 -1.27 1.55 0.35 -2.79 0.00 0.00 177.10 175.46 3hd6 n THR 5 N 6.44 1.25 -2.46 -5.21 -2.24 -1.26 -4.30 114.28 106.49 3hd6 n THR 5 Ca 0.06 -1.01 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 3hd6 n THR 5 Cb 0.48 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 3hd6 n THR 5 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hd6 s ASN 6 N -0.95 6.35 -0.16 3.42 3.84 -1.26 -4.90 114.94 121.28 3hd6 s ASN 6 Ca 0.48 0.43 0.16 0.00 0.21 0.00 0.00 52.86 54.14 3hd6 s ASN 6 Cb 0.27 -2.55 0.76 0.00 -0.55 0.00 0.00 41.25 39.18 3hd6 s ASN 6 CO 0.29 -1.50 1.67 0.18 -2.79 0.00 0.00 177.10 174.95 3hd6 n LEU 7 N 8.79 5.11 0.22 3.21 4.77 -1.26 -4.63 117.00 133.20 3hd6 n LEU 7 Ca 0.13 -2.58 0.09 0.00 -0.03 0.00 0.00 56.01 53.61 3hd6 n LEU 7 Cb 0.49 -0.62 0.63 0.00 -2.33 0.00 0.00 43.42 41.59 3hd6 n LEU 7 CO 0.71 0.73 1.08 -0.09 -1.33 0.00 0.00 177.39 178.50 3hd6 h ARG 8 N 4.03 0.03 0.03 3.23 2.43 -2.00 -1.13 114.38 121.00 3hd6 h ARG 8 Ca 0.00 -0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 3hd6 h ARG 8 Cb 1.65 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.14 3hd6 h ARG 8 CO 0.33 0.02 -1.98 0.91 -1.51 0.00 0.00 179.97 177.75 3hd6 n TRP 9 N -4.52 0.61 -0.05 2.20 7.02 -1.26 -4.51 117.44 116.92 3hd6 n TRP 9 Ca -0.02 0.21 -0.15 0.00 -1.02 0.00 0.00 57.50 56.53 3hd6 n TRP 9 Cb 0.13 -1.07 -0.07 0.00 -2.42 0.00 0.00 31.31 27.88 3hd6 n TRP 9 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3hd6 h ARG 10 N -0.63 0.55 -0.15 -0.99 3.08 -1.81 -2.11 114.38 112.32 3hd6 h ARG 10 Ca -0.51 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.16 3hd6 h ARG 10 Cb 1.64 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 3hd6 h ARG 10 CO -0.20 0.97 -0.01 1.25 -1.07 0.00 0.00 179.97 180.92 3hd6 h LEU 11 N 0.20 0.26 -0.86 3.04 5.85 -1.51 -0.57 115.31 121.72 3hd6 h LEU 11 Ca 0.00 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3hd6 h LEU 11 Cb 0.96 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 3hd6 h LEU 11 CO 0.08 0.52 0.57 -0.65 -0.34 0.00 0.00 178.44 178.62 3hd6 h PRO 12 N -0.01 1.13 -0.15 5.25 0.11 -1.71 -0.70 132.00 135.92 3hd6 h PRO 12 Ca 0.04 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.11 3hd6 h PRO 12 Cb 0.39 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3hd6 h PRO 12 CO 0.01 0.75 -0.01 1.25 -0.21 0.00 0.00 178.00 179.79 3hd6 h LEU 13 N 1.16 -0.07 -0.37 2.35 5.85 -1.29 0.04 115.31 122.99 3hd6 h LEU 13 Ca 0.32 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3hd6 h LEU 13 Cb -0.13 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3hd6 h LEU 13 CO -0.07 -0.01 0.24 0.74 -0.34 0.00 0.00 178.44 178.99 3hd6 h THR 14 N 0.04 1.11 -0.29 1.05 2.02 -0.85 -0.68 112.91 115.31 3hd6 h THR 14 Ca 0.07 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3hd6 h THR 14 Cb 0.09 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hd6 h THR 14 CO -0.12 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 3hd6 h LEU 16 N 0.32 0.85 -0.06 0.00 3.38 -0.95 -1.68 115.31 117.17 3hd6 h LEU 16 Ca 0.08 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hd6 h LEU 16 Cb 0.50 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hd6 h LEU 16 CO 0.02 1.25 0.04 0.25 0.09 0.00 0.00 178.44 180.09 3hd6 h LEU 17 N 0.49 0.07 -0.59 1.67 5.85 -1.15 -0.40 115.31 121.25 3hd6 h LEU 17 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hd6 h LEU 17 Cb 1.13 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3hd6 h LEU 17 CO 0.11 0.08 0.37 -0.07 -0.34 0.00 0.00 178.44 178.59 3hd6 h LEU 18 N 0.05 0.69 -0.56 2.25 3.38 -1.35 -1.71 115.31 118.06 3hd6 h LEU 18 Ca 0.02 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3hd6 h LEU 18 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hd6 h LEU 18 CO -0.00 0.53 -0.49 -0.61 0.09 0.00 0.00 178.44 177.96 3hd6 h GLN 19 N 0.79 0.58 -0.66 1.13 5.75 -1.17 -1.05 115.11 120.49 3hd6 h GLN 19 Ca 0.21 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.33 3hd6 h GLN 19 Cb -0.05 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3hd6 h GLN 19 CO -0.04 0.94 0.23 0.28 -2.65 0.00 0.00 178.83 177.59 3hd6 h VAL 20 N 0.46 1.25 -0.50 2.39 2.07 -0.90 -0.90 116.25 120.12 3hd6 h VAL 20 Ca 0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3hd6 h VAL 20 Cb 1.02 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3hd6 h VAL 20 CO 0.09 0.32 0.27 0.40 0.02 0.00 0.00 177.57 178.67 3hd6 h ILE 21 N 0.95 1.18 -0.64 4.57 2.04 -1.06 -1.05 117.51 123.51 3hd6 h ILE 21 Ca 0.22 -0.46 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3hd6 h ILE 21 Cb 0.26 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3hd6 h ILE 21 CO -0.01 0.19 0.35 0.24 0.00 0.00 0.00 178.15 178.92 3hd6 h MET 22 N 0.67 0.62 -0.12 2.37 2.86 -0.95 -0.79 114.93 119.60 3hd6 h MET 22 Ca 0.18 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3hd6 h MET 22 Cb 0.06 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3hd6 h MET 22 CO -0.03 0.41 0.07 0.28 1.06 0.00 0.00 176.91 178.70 3hd6 h VAL 23 N 0.64 1.07 -0.22 -2.22 2.07 -0.67 0.22 116.25 117.14 3hd6 h VAL 23 Ca 0.28 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3hd6 h VAL 23 Cb 0.18 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hd6 h VAL 23 CO -0.18 0.06 0.14 0.40 0.02 0.00 0.00 177.57 178.01 3hd6 h ILE 24 N 0.11 1.04 -0.16 4.57 2.04 -0.97 -1.19 117.51 122.96 3hd6 h ILE 24 Ca 0.04 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 3hd6 h ILE 24 Cb 0.04 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3hd6 h ILE 24 CO -0.01 0.05 -0.41 -0.07 0.00 0.00 0.00 178.15 177.71 3hd6 h LEU 25 N 0.29 0.40 -0.48 1.44 3.38 -1.01 -1.93 115.31 117.40 3hd6 h LEU 25 Ca 0.08 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3hd6 h LEU 25 Cb -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hd6 h LEU 25 CO -0.03 0.77 0.07 -0.26 0.09 0.00 0.00 178.44 179.08 3hd6 h PHE 26 N 0.31 0.85 -0.85 1.13 -1.00 -0.78 -1.84 116.94 114.76 3hd6 h PHE 26 Ca 0.03 -0.12 0.06 0.00 2.81 0.00 0.00 57.97 60.74 3hd6 h PHE 26 Cb 0.86 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 40.13 3hd6 h PHE 26 CO 0.02 0.79 0.53 0.78 -1.61 0.00 0.00 178.31 178.82 3hd6 h GLY 27 N 0.66 1.28 0.86 -1.45 0.00 -0.85 -0.36 103.07 103.21 3hd6 h GLY 27 Ca 0.14 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3hd6 h GLY 27 CO 0.01 0.28 -0.49 -2.08 0.00 0.00 0.00 176.54 174.26 3hd6 h VAL 28 N 0.98 1.37 0.00 4.60 2.07 -1.29 -3.42 116.25 120.57 3hd6 h VAL 28 Ca 0.37 -1.82 -0.17 0.00 0.82 0.00 0.00 66.70 65.89 3hd6 h VAL 28 Cb 0.14 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3hd6 h VAL 28 CO -0.16 0.55 -1.64 0.49 0.02 0.00 0.00 177.57 176.82 3hd6 n PHE 29 N -4.25 0.00 -3.55 1.57 3.72 -0.70 -4.93 117.46 109.33 3hd6 n PHE 29 Ca -0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 3hd6 n PHE 29 Cb 0.59 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3hd6 n PHE 29 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hd6 s VAL 30 N -2.23 5.30 0.15 -4.37 1.01 -0.15 -0.26 120.40 119.85 3hd6 s VAL 30 Ca -0.08 0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 3hd6 s VAL 30 Cb 0.03 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3hd6 s VAL 30 CO 0.35 0.41 0.12 -0.13 0.00 0.00 0.00 175.10 175.85 3hd6 s ARG 31 N 0.33 1.03 0.15 2.72 1.81 -0.22 -4.80 118.95 119.97 3hd6 s ARG 31 Ca 0.17 -1.41 0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3hd6 s ARG 31 Cb -0.13 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 3hd6 s ARG 31 CO 0.04 -0.32 -0.04 0.71 -0.68 0.00 0.00 175.30 175.01 3hd6 s TYR 32 N -4.05 2.80 0.44 -0.53 2.02 -1.26 -1.08 117.35 115.69 3hd6 s TYR 32 Ca 0.25 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.57 3hd6 s TYR 32 Cb 0.06 -1.39 -0.08 0.00 -0.40 0.00 0.00 41.96 40.16 3hd6 s TYR 32 CO 0.03 0.49 1.16 -0.51 -1.57 0.00 0.00 175.55 175.15 3hd6 s ASP 33 N -2.71 6.29 -0.41 2.29 1.01 -1.26 -4.98 116.67 116.89 3hd6 s ASP 33 Ca 0.26 2.29 0.06 0.00 0.71 0.00 0.00 52.55 55.86 3hd6 s ASP 33 Cb -0.10 -2.60 0.20 0.00 1.01 0.00 0.00 42.92 41.43 3hd6 s ASP 33 CO 0.17 -0.84 0.44 0.49 0.21 0.00 0.00 175.17 175.64 3hd6 n PHE 34 N -0.35 -0.99 -0.05 4.23 3.72 -1.26 -5.16 117.46 117.61 3hd6 n PHE 34 Ca 0.06 -3.23 0.00 0.00 -0.05 0.00 0.00 57.45 54.23 3hd6 n PHE 34 Cb 0.48 0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3hd6 n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hd6 n GLU 53 N 2.32 -0.96 -1.38 -1.08 1.02 -1.26 -5.36 120.64 113.94 3hd6 n GLU 53 Ca 0.26 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.03 3hd6 n GLU 53 Cb 0.51 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.98 3hd6 n GLU 53 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hd6 n ASN 54 N -2.06 -0.87 0.18 1.62 2.85 -1.26 -4.89 115.26 110.83 3hd6 n ASN 54 Ca 0.00 0.67 0.04 0.00 -0.11 0.00 0.00 54.58 55.18 3hd6 n ASN 54 Cb 0.00 -1.23 0.34 0.00 1.24 0.00 0.00 39.78 40.13 3hd6 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 3hd6 h GLU 55 N -0.05 0.00 0.04 1.20 4.11 -2.03 -3.15 114.58 114.70 3hd6 h GLU 55 Ca -0.46 0.00 0.02 0.00 0.07 0.00 0.00 59.36 58.99 3hd6 h GLU 55 Cb 1.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.57 3hd6 h GLU 55 CO 0.45 0.40 -0.53 0.35 0.07 0.00 0.00 179.01 179.75 3hd6 h PHE 56 N 0.00 -1.54 -0.76 2.06 3.57 -1.96 0.49 116.94 118.78 3hd6 h PHE 56 Ca -0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hd6 h PHE 56 Cb 0.85 0.67 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 3hd6 h PHE 56 CO 0.00 -0.58 0.47 1.88 -2.23 0.00 0.00 178.31 177.85 3hd6 h TYR 57 N -0.70 0.88 0.00 0.41 0.05 -1.91 0.37 116.97 116.07 3hd6 h TYR 57 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 3hd6 h TYR 57 Cb 0.73 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.18 3hd6 h TYR 57 CO -0.49 0.48 -0.44 1.88 -1.05 0.00 0.00 178.16 178.54 3hd6 h TYR 58 N 0.90 0.00 0.00 4.88 -1.99 -1.54 -3.39 116.97 115.83 3hd6 h TYR 58 Ca 0.32 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.94 3hd6 h TYR 58 Cb 0.08 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.79 3hd6 h TYR 58 CO -0.04 0.11 -1.50 0.54 -0.00 0.00 0.00 178.16 177.27 3hd6 n ARG 59 N -2.99 2.18 -0.27 4.88 1.74 0.15 -4.68 116.66 117.67 3hd6 n ARG 59 Ca 0.02 -0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 3hd6 n ARG 59 Cb 0.59 -1.20 0.18 0.00 -1.02 0.00 0.00 32.46 31.01 3hd6 n ARG 59 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3hd6 h TYR 60 N 0.00 0.65 -0.96 -1.55 3.20 -0.39 -1.48 116.97 116.44 3hd6 h TYR 60 Ca -0.16 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.81 3hd6 h TYR 60 Cb 1.23 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.27 3hd6 h TYR 60 CO 0.00 0.17 0.62 -1.35 -1.64 0.00 0.00 178.16 175.96 3hd6 h PRO 61 N 0.57 1.06 -0.47 1.82 0.11 -1.79 -0.35 132.00 132.95 3hd6 h PRO 61 Ca 0.41 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 3hd6 h PRO 61 Cb 0.54 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3hd6 h PRO 61 CO -0.34 0.70 -0.15 0.77 -0.21 0.00 0.00 178.00 178.78 3hd6 h SER 62 N 1.09 0.94 -0.35 -2.05 0.02 -1.61 -2.70 113.55 108.89 3hd6 h SER 62 Ca 0.42 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3hd6 h SER 62 Cb 0.21 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 3hd6 h SER 62 CO -0.17 1.10 -0.03 0.15 -1.14 0.00 0.00 176.83 176.74 3hd6 h PHE 63 N 0.77 -0.08 -0.96 3.45 3.57 -0.31 -2.26 116.94 121.12 3hd6 h PHE 63 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hd6 h PHE 63 Cb 0.71 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 3hd6 h PHE 63 CO 0.05 -0.10 0.64 1.96 -2.23 0.00 0.00 178.31 178.63 3hd6 h GLN 64 N 0.06 1.27 -0.53 1.11 4.20 -0.97 0.99 115.11 121.24 3hd6 h GLN 64 Ca 0.17 -0.08 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3hd6 h GLN 64 Cb 0.24 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3hd6 h GLN 64 CO -0.31 0.84 0.18 -0.44 -0.67 0.00 0.00 178.83 178.43 3hd6 h ASP 65 N 1.31 0.75 -0.53 1.46 3.32 -1.22 -0.35 116.42 121.15 3hd6 h ASP 65 Ca 0.35 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 3hd6 h ASP 65 Cb -0.15 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 3hd6 h ASP 65 CO -0.08 0.74 0.04 0.58 -1.72 0.00 0.00 179.24 178.80 3hd6 h VAL 66 N 0.72 1.26 -0.66 -1.35 2.07 -0.94 -2.05 116.25 115.30 3hd6 h VAL 66 Ca 0.17 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3hd6 h VAL 66 Cb 0.25 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3hd6 h VAL 66 CO -0.01 0.37 0.35 -0.74 0.02 0.00 0.00 177.57 177.57 3hd6 h HIS 67 N 0.79 0.64 -0.51 1.57 6.17 -0.47 -1.58 115.15 121.76 3hd6 h HIS 67 Ca 0.16 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.21 3hd6 h HIS 67 Cb 0.48 -0.19 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 3hd6 h HIS 67 CO 0.04 0.29 0.13 0.28 0.71 0.00 0.00 177.93 179.37 3hd6 h VAL 68 N 0.64 1.24 -0.89 5.26 2.07 -0.90 -2.21 116.25 121.46 3hd6 h VAL 68 Ca 0.31 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3hd6 h VAL 68 Cb 0.23 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3hd6 h VAL 68 CO -0.21 0.31 0.59 0.24 0.02 0.00 0.00 177.57 178.52 3hd6 h MET 69 N 0.71 1.13 0.15 1.57 2.86 -0.78 0.42 114.93 120.99 3hd6 h MET 69 Ca 0.16 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3hd6 h MET 69 Cb 0.33 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3hd6 h MET 69 CO 0.00 0.75 -0.07 0.28 1.06 0.00 0.00 176.91 178.93 3hd6 h VAL 70 N 1.17 1.00 0.17 -2.22 2.07 -1.09 0.19 116.25 117.54 3hd6 h VAL 70 Ca 0.34 -0.90 -0.36 0.00 0.82 0.00 0.00 66.70 66.60 3hd6 h VAL 70 Cb -0.07 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3hd6 h VAL 70 CO -0.09 0.20 -1.82 -0.26 0.02 0.00 0.00 177.57 175.63 3hd6 h PHE 71 N -0.65 0.66 0.02 1.57 -1.00 -1.32 -3.24 116.94 112.97 3hd6 h PHE 71 Ca -0.02 -0.48 -0.38 0.00 2.81 0.00 0.00 57.97 59.90 3hd6 h PHE 71 Cb 0.49 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.96 3hd6 h PHE 71 CO 0.06 1.71 -2.35 0.28 -1.61 0.00 0.00 178.31 176.40 3hd6 n VAL 72 N -3.56 1.54 0.17 -0.55 0.31 0.00 -3.64 118.33 112.61 3hd6 n VAL 72 Ca -0.27 -0.63 -0.07 0.00 -0.01 0.00 0.00 64.34 63.37 3hd6 n VAL 72 Cb 1.07 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 3hd6 n VAL 72 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hd6 h GLY 73 N 2.09 -0.48 1.03 2.92 0.00 -0.69 -1.56 103.07 106.39 3hd6 h GLY 73 Ca -0.54 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3hd6 h GLY 73 CO -0.04 -0.17 0.02 0.74 0.00 0.00 0.00 176.54 177.09 3hd6 h PHE 74 N -0.59 1.02 -0.25 5.60 0.04 -1.05 -1.86 116.94 119.86 3hd6 h PHE 74 Ca -0.05 -0.17 0.06 0.00 2.80 0.00 0.00 57.97 60.62 3hd6 h PHE 74 Cb 0.35 -0.27 -0.08 0.00 2.20 0.00 0.00 35.95 38.15 3hd6 h PHE 74 CO 0.09 0.93 -0.32 0.78 -0.60 0.00 0.00 178.31 179.19 3hd6 h GLY 75 N 0.82 -0.34 1.88 -1.45 0.00 -1.62 -2.82 103.07 99.54 3hd6 h GLY 75 Ca 0.16 0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.72 3hd6 h GLY 75 CO 0.02 -0.21 -0.83 0.74 0.00 0.00 0.00 176.54 176.26 3hd6 h PHE 76 N -0.33 0.00 -0.92 5.60 0.04 -1.32 -3.27 116.94 116.75 3hd6 h PHE 76 Ca 0.13 0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.05 3hd6 h PHE 76 Cb 0.54 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.59 3hd6 h PHE 76 CO -0.46 0.74 0.52 1.25 -0.60 0.00 0.00 178.31 179.76 3hd6 h LEU 77 N 0.00 0.68 -0.19 1.54 5.85 -1.13 -1.28 115.31 120.78 3hd6 h LEU 77 Ca -0.03 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hd6 h LEU 77 Cb 1.59 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3hd6 h LEU 77 CO 0.09 0.29 -0.04 0.23 -0.34 0.00 0.00 178.44 178.67 3hd6 n MET 78 N -4.79 0.84 0.00 1.25 2.81 -1.08 -3.52 117.12 112.62 3hd6 n MET 78 Ca 0.19 -0.19 0.06 0.00 -1.81 0.00 0.00 57.70 55.95 3hd6 n MET 78 Cb 0.46 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.83 3hd6 n MET 78 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3hd6 n THR 79 N -0.91 0.00 0.26 2.03 -2.24 -0.48 -3.82 114.28 109.11 3hd6 n THR 79 Ca 0.18 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.04 3hd6 n THR 79 Cb 0.23 -0.27 0.64 0.00 -2.10 0.00 0.00 70.33 68.83 3hd6 n THR 79 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 3hd6 h PHE 80 N 0.00 0.00 -2.55 4.78 -5.15 -1.68 -3.42 116.94 108.91 3hd6 h PHE 80 Ca 0.00 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.24 3hd6 h PHE 80 Cb 0.00 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.20 3hd6 h PHE 80 CO 0.00 0.02 1.10 -0.51 -2.00 0.00 0.00 178.31 176.92 3hd6 s LEU 81 N -8.93 4.39 0.43 2.10 1.43 -1.25 -3.84 118.68 113.01 3hd6 s LEU 81 Ca -0.05 2.64 0.09 0.00 -1.03 0.00 0.00 54.13 55.78 3hd6 s LEU 81 Cb 0.17 -3.56 0.95 0.00 0.03 0.00 0.00 46.19 43.78 3hd6 s LEU 81 CO 0.67 -0.98 2.07 0.06 0.23 0.00 0.00 176.35 178.41 3hd6 h GLN 82 N 8.92 0.42 0.00 1.70 3.07 -1.25 -2.81 115.11 125.17 3hd6 h GLN 82 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3hd6 h GLN 82 Cb 1.21 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.68 3hd6 h GLN 82 CO 0.94 0.28 -0.07 0.54 0.09 0.00 0.00 178.83 180.61 3hd6 n ARG 83 N -4.49 1.17 -0.27 0.06 1.74 -1.26 -4.68 116.66 108.94 3hd6 n ARG 83 Ca 0.02 -2.27 0.08 0.00 -0.77 0.00 0.00 57.85 54.90 3hd6 n ARG 83 Cb 0.08 -1.32 0.13 0.00 -1.02 0.00 0.00 32.46 30.33 3hd6 n ARG 83 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3hd6 n TYR 84 N -1.17 0.00 -0.22 -1.55 9.36 -1.06 -0.27 117.16 122.25 3hd6 n TYR 84 Ca 0.13 -0.91 -0.09 0.00 3.32 0.00 0.00 57.90 60.35 3hd6 n TYR 84 Cb 0.63 -0.15 0.03 0.00 -0.63 0.00 0.00 39.34 39.21 3hd6 n TYR 84 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3hd6 h GLY 85 N 0.19 1.14 0.87 2.98 0.00 -1.82 -0.77 103.07 105.66 3hd6 h GLY 85 Ca -0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 3hd6 h GLY 85 CO 0.00 0.74 0.06 0.74 0.00 0.00 0.00 176.54 178.08 3hd6 h PHE 86 N 0.96 0.22 -0.42 5.60 -1.00 -1.93 -2.54 116.94 117.84 3hd6 h PHE 86 Ca 0.18 -0.02 -0.14 0.00 2.81 0.00 0.00 57.97 60.80 3hd6 h PHE 86 Cb 0.49 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 3hd6 h PHE 86 CO 0.04 0.31 -0.30 0.77 -1.61 0.00 0.00 178.31 177.52 3hd6 h SER 87 N 0.07 0.96 0.42 2.17 0.02 -1.91 0.32 113.55 115.59 3hd6 h SER 87 Ca 0.05 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3hd6 h SER 87 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3hd6 h SER 87 CO -0.00 1.18 -0.34 0.00 -1.14 0.00 0.00 176.83 176.52 3hd6 h ALA 88 N 0.88 -1.07 -0.21 3.77 0.00 -1.10 0.29 119.26 121.81 3hd6 h ALA 88 Ca 0.08 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hd6 h ALA 88 Cb 0.87 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3hd6 h ALA 88 CO 0.08 -1.08 -0.49 -0.24 0.00 0.00 0.00 179.25 177.53 3hd6 h VAL 89 N -0.74 1.31 0.15 0.00 3.04 -1.50 -2.60 116.25 115.91 3hd6 h VAL 89 Ca -0.05 -1.70 -0.30 0.00 -1.01 0.00 0.00 66.70 63.63 3hd6 h VAL 89 Cb 0.62 1.67 0.03 0.00 -2.01 0.00 0.00 31.29 31.60 3hd6 h VAL 89 CO -0.00 0.53 -1.28 1.23 -1.01 0.00 0.00 177.57 177.04 3hd6 h GLY 90 N 1.05 0.68 1.74 3.17 0.00 -0.38 -2.07 103.07 107.26 3hd6 h GLY 90 Ca 0.02 -1.49 -0.17 0.00 0.00 0.00 0.00 47.33 45.70 3hd6 h GLY 90 CO 0.09 1.31 -0.71 0.74 0.00 0.00 0.00 176.54 177.97 3hd6 h PHE 91 N 0.23 0.34 -0.55 5.60 0.04 -0.52 -1.92 116.94 120.17 3hd6 h PHE 91 Ca -0.20 -0.15 0.01 0.00 2.80 0.00 0.00 57.97 60.42 3hd6 h PHE 91 Cb 1.96 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 40.03 3hd6 h PHE 91 CO 0.12 0.88 0.36 -0.97 -0.60 0.00 0.00 178.31 178.10 3hd6 h ASN 92 N 0.17 0.63 -0.40 2.17 -1.24 -1.51 0.22 115.58 115.62 3hd6 h ASN 92 Ca -0.02 -0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.01 3hd6 h ASN 92 Cb 1.26 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 40.12 3hd6 h ASN 92 CO 0.11 0.45 0.18 0.15 -1.29 0.00 0.00 177.43 177.03 3hd6 h PHE 93 N 0.74 0.32 0.01 0.67 3.57 -1.27 -0.73 116.94 120.26 3hd6 h PHE 93 Ca 0.20 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3hd6 h PHE 93 Cb -0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3hd6 h PHE 93 CO -0.04 0.15 -0.01 1.25 -2.23 0.00 0.00 178.31 177.44 3hd6 h LEU 94 N 0.36 -0.01 -0.96 0.59 5.85 -0.98 -1.44 115.31 118.71 3hd6 h LEU 94 Ca 0.18 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3hd6 h LEU 94 Cb 0.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3hd6 h LEU 94 CO -0.15 0.45 0.31 0.17 -0.34 0.00 0.00 178.44 178.87 3hd6 h LEU 95 N -0.48 0.96 -0.40 2.25 8.10 -0.48 -2.34 115.31 122.93 3hd6 h LEU 95 Ca -0.00 -0.13 -0.18 0.00 0.11 0.00 0.00 57.88 57.68 3hd6 h LEU 95 Cb 0.46 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 3hd6 h LEU 95 CO 0.00 0.85 -0.63 0.00 -4.11 0.00 0.00 178.44 174.55 3hd6 h ALA 96 N 1.29 0.58 -0.85 0.17 0.00 -1.12 0.80 119.26 120.14 3hd6 h ALA 96 Ca 0.24 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3hd6 h ALA 96 Cb 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3hd6 h ALA 96 CO -0.02 0.71 0.43 0.00 0.00 0.00 0.00 179.25 180.36 3hd6 h ALA 97 N 0.86 1.16 -0.01 0.00 0.00 -0.99 0.02 119.26 120.29 3hd6 h ALA 97 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hd6 h ALA 97 Cb 1.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hd6 h ALA 97 CO 0.12 0.65 -0.02 0.35 0.00 0.00 0.00 179.25 180.35 3hd6 h PHE 98 N 1.20 0.04 -0.93 0.00 3.57 -1.34 -3.35 116.94 116.13 3hd6 h PHE 98 Ca 0.29 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.82 3hd6 h PHE 98 Cb 0.08 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 3hd6 h PHE 98 CO 0.01 0.59 0.61 0.78 -2.23 0.00 0.00 178.31 178.07 3hd6 h GLY 99 N -0.51 1.34 1.24 2.40 0.00 -0.52 -2.18 103.07 104.84 3hd6 h GLY 99 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3hd6 h GLY 99 CO 0.00 0.39 0.31 0.16 0.00 0.00 0.00 176.54 177.41 3hd6 h ILE 100 N 1.16 1.22 -0.10 2.60 3.07 -1.14 0.19 117.51 124.51 3hd6 h ILE 100 Ca 0.37 -0.66 -0.02 0.00 1.55 0.00 0.00 64.86 66.11 3hd6 h ILE 100 Cb 0.02 0.37 -0.00 0.00 -0.27 0.00 0.00 36.82 36.94 3hd6 h ILE 100 CO -0.11 0.27 -0.01 1.56 -1.05 0.00 0.00 178.15 178.81 3hd6 h GLN 101 N 0.97 0.19 -0.27 0.16 4.20 -1.54 -2.05 115.11 116.77 3hd6 h GLN 101 Ca 0.23 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 3hd6 h GLN 101 Cb 0.13 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3hd6 h GLN 101 CO -0.03 0.45 -0.31 2.35 -0.67 0.00 0.00 178.83 180.63 3hd6 h TRP 102 N -0.10 0.64 -0.59 2.96 -0.00 -1.28 -2.91 115.95 114.66 3hd6 h TRP 102 Ca 0.03 -0.16 -0.05 0.00 -0.00 0.00 0.00 58.89 58.71 3hd6 h TRP 102 Cb 0.37 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.36 3hd6 h TRP 102 CO 0.04 0.80 0.17 0.00 -0.00 0.00 0.00 178.44 179.45 3hd6 h ALA 103 N 1.19 0.77 -0.96 2.65 0.00 -0.58 0.17 119.26 122.50 3hd6 h ALA 103 Ca 0.06 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.88 3hd6 h ALA 103 Cb 0.77 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3hd6 h ALA 103 CO 0.06 0.45 0.58 -0.07 0.00 0.00 0.00 179.25 180.27 3hd6 h LEU 104 N 0.83 0.84 0.13 0.00 3.38 -1.18 0.35 115.31 119.66 3hd6 h LEU 104 Ca 0.19 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hd6 h LEU 104 Cb 0.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hd6 h LEU 104 CO -0.00 0.43 -0.06 -0.07 0.09 0.00 0.00 178.44 178.82 3hd6 h LEU 105 N 0.91 -0.15 -0.00 1.67 3.38 -1.32 -1.20 115.31 118.59 3hd6 h LEU 105 Ca 0.48 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hd6 h LEU 105 Cb 0.51 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hd6 h LEU 105 CO -0.28 0.38 0.00 0.24 0.09 0.00 0.00 178.44 178.87 3hd6 h MET 106 N -0.76 0.00 -0.18 1.13 2.86 -0.68 0.14 114.93 117.43 3hd6 h MET 106 Ca -0.02 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3hd6 h MET 106 Cb 0.54 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3hd6 h MET 106 CO 0.03 0.15 -0.13 1.96 1.06 0.00 0.00 176.91 179.97 3hd6 h GLN 107 N -0.14 0.30 -0.26 1.72 4.20 -1.09 -3.14 115.11 116.70 3hd6 h GLN 107 Ca 0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3hd6 h GLN 107 Cb 0.14 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3hd6 h GLN 107 CO -0.00 0.44 0.07 0.78 -0.67 0.00 0.00 178.83 179.45 3hd6 h GLY 108 N 0.80 0.44 1.72 3.46 0.00 -0.40 -3.09 103.07 106.00 3hd6 h GLY 108 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.15 3hd6 h GLY 108 CO 0.02 0.25 0.11 1.49 0.00 0.00 0.00 176.54 178.42 3hd6 h TRP 109 N 0.25 0.00 0.00 5.60 6.55 -0.70 0.73 115.95 128.39 3hd6 h TRP 109 Ca 0.08 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.92 3hd6 h TRP 109 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 3hd6 h TRP 109 CO 0.01 0.00 0.00 1.19 -1.05 0.00 0.00 178.44 178.59 3hd6 n PHE 110 N -3.79 0.00 -2.75 0.49 3.72 -1.17 -3.78 117.46 110.19 3hd6 n PHE 110 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 3hd6 n PHE 110 Cb 0.22 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 3hd6 n PHE 110 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3hd6 n HIS 111 N -0.51 -0.16 -1.69 1.38 8.25 0.25 -5.12 115.22 117.62 3hd6 n HIS 111 Ca 0.01 -2.09 -0.43 0.00 -0.26 0.00 0.00 57.72 54.94 3hd6 n HIS 111 Cb 0.00 0.48 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 3hd6 n HIS 111 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hd6 n PHE 112 N -0.81 2.28 -4.10 4.41 0.99 -1.17 -4.74 117.46 114.31 3hd6 n PHE 112 Ca -0.01 0.46 -0.35 0.00 -0.00 0.00 0.00 57.45 57.55 3hd6 n PHE 112 Cb 0.83 -2.46 -0.09 0.00 -1.00 0.00 0.00 39.48 36.76 3hd6 n PHE 112 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3hd6 s LEU 113 N -0.42 3.81 -1.34 4.37 1.43 0.20 -4.50 118.68 122.23 3hd6 s LEU 113 Ca 0.62 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3hd6 s LEU 113 Cb -0.60 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3hd6 s LEU 113 CO 0.55 0.26 0.00 1.67 0.23 0.00 0.00 176.35 179.06 3hd6 n GLN 114 N 2.95 -1.15 -1.15 1.70 7.27 -1.26 -0.33 117.38 125.41 3hd6 n GLN 114 Ca -0.18 0.79 -0.05 0.00 0.07 0.00 0.00 57.00 57.63 3hd6 n GLN 114 Cb 0.53 -5.07 -0.02 0.00 2.41 0.00 0.00 30.24 28.09 3hd6 n GLN 114 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3hd6 n ASP 115 N -0.73 -5.79 0.00 1.69 10.43 -1.26 -4.59 116.55 116.29 3hd6 n ASP 115 Ca -0.17 0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.32 3hd6 n ASP 115 Cb 0.60 -3.74 0.00 0.00 1.84 0.00 0.00 41.12 39.82 3hd6 n ASP 115 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3hd6 n ARG 116 N 0.06 0.00 -4.88 -1.24 1.85 -1.09 -5.04 116.66 106.32 3hd6 n ARG 116 Ca -0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.54 3hd6 n ARG 116 Cb 0.53 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.78 3hd6 n ARG 116 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3hd6 s TYR 117 N 0.00 1.71 -0.41 2.89 2.02 0.55 -4.61 117.35 119.51 3hd6 s TYR 117 Ca 0.00 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.16 3hd6 s TYR 117 Cb 0.00 -1.13 0.05 0.00 -0.40 0.00 0.00 41.96 40.48 3hd6 s TYR 117 CO 0.00 -0.11 0.26 0.42 -1.57 0.00 0.00 175.55 174.55 3hd6 s ILE 118 N -0.17 4.65 -0.37 2.71 1.01 0.64 0.59 121.20 130.26 3hd6 s ILE 118 Ca 0.01 -1.03 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 3hd6 s ILE 118 Cb -0.10 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.68 3hd6 s ILE 118 CO 0.01 -0.38 0.66 -0.69 0.00 0.00 0.00 174.94 174.54 3hd6 s VAL 119 N 1.54 4.85 -0.16 2.92 1.01 -1.26 -1.06 120.40 128.25 3hd6 s VAL 119 Ca 0.03 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 3hd6 s VAL 119 Cb -0.21 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3hd6 s VAL 119 CO 0.06 -0.38 0.23 0.68 0.00 0.00 0.00 175.10 175.69 3hd6 s VAL 120 N 2.80 5.35 0.00 2.92 -7.23 -0.24 -4.96 120.40 119.03 3hd6 s VAL 120 Ca 0.25 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 60.83 3hd6 s VAL 120 Cb -0.14 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.24 3hd6 s VAL 120 CO 0.16 0.44 0.00 0.61 -0.31 0.00 0.00 175.10 176.00 3hd6 n GLY 121 N 3.23 4.38 0.33 2.32 0.00 -1.26 -4.63 105.19 109.56 3hd6 n GLY 121 Ca -0.14 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 43.99 3hd6 n GLY 121 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hd6 h VAL 122 N 0.90 1.09 -0.91 1.61 2.07 -1.97 -1.50 116.25 117.53 3hd6 h VAL 122 Ca 0.00 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3hd6 h VAL 122 Cb 0.00 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.02 3hd6 h VAL 122 CO 0.00 0.13 0.59 -0.08 0.02 0.00 0.00 177.57 178.23 3hd6 h GLU 123 N 0.72 1.01 -0.73 1.57 4.81 -1.95 -1.16 114.58 118.85 3hd6 h GLU 123 Ca 0.24 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3hd6 h GLU 123 Cb 0.06 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3hd6 h GLU 123 CO -0.06 0.67 0.24 -0.91 -0.73 0.00 0.00 179.01 178.21 3hd6 h ASN 124 N 1.04 1.06 -0.47 1.04 4.21 -1.65 -2.49 115.58 118.33 3hd6 h ASN 124 Ca 0.39 -0.19 -0.07 0.00 1.21 0.00 0.00 56.30 57.64 3hd6 h ASN 124 Cb 0.18 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 3hd6 h ASN 124 CO -0.14 0.98 0.03 -0.07 -1.29 0.00 0.00 177.43 176.93 3hd6 h LEU 125 N 1.09 0.79 -0.19 1.61 4.07 -1.12 -0.86 115.31 120.71 3hd6 h LEU 125 Ca 0.24 -0.29 0.03 0.00 0.08 0.00 0.00 57.88 57.94 3hd6 h LEU 125 Cb 0.29 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 3hd6 h LEU 125 CO -0.01 0.88 -0.01 0.40 -1.08 0.00 0.00 178.44 178.62 3hd6 h ILE 126 N 0.67 0.85 -0.35 1.22 2.04 -1.15 -1.41 117.51 119.39 3hd6 h ILE 126 Ca 0.14 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 3hd6 h ILE 126 Cb 0.46 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3hd6 h ILE 126 CO 0.02 0.01 -0.15 0.78 0.00 0.00 0.00 178.15 178.80 3hd6 h ASN 127 N 0.04 0.62 -0.62 1.72 2.35 -1.32 -1.82 115.58 116.55 3hd6 h ASN 127 Ca 0.09 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3hd6 h ASN 127 Cb 0.12 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3hd6 h ASN 127 CO -0.16 0.79 0.33 0.00 -1.65 0.00 0.00 177.43 176.73 3hd6 h ALA 128 N 1.27 0.80 -0.52 -0.83 0.00 -0.80 -0.84 119.26 118.33 3hd6 h ALA 128 Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3hd6 h ALA 128 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hd6 h ALA 128 CO 0.04 0.33 -0.05 -0.44 0.00 0.00 0.00 179.25 179.13 3hd6 h ASP 129 N 0.84 0.90 -0.39 0.00 5.19 -1.03 -1.62 116.42 120.32 3hd6 h ASP 129 Ca 0.22 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3hd6 h ASP 129 Cb 0.07 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3hd6 h ASP 129 CO -0.03 0.99 0.25 -0.26 -3.12 0.00 0.00 179.24 177.07 3hd6 h PHE 130 N 0.83 0.49 -0.17 4.55 0.04 -1.09 0.03 116.94 121.63 3hd6 h PHE 130 Ca 0.15 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3hd6 h PHE 130 Cb 0.57 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3hd6 h PHE 130 CO 0.03 0.32 -0.08 0.00 -0.60 0.00 0.00 178.31 177.98 3hd6 h VAL 132 N -0.07 1.13 -0.75 0.00 2.07 -1.06 -2.00 116.25 115.56 3hd6 h VAL 132 Ca 0.09 -0.46 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3hd6 h VAL 132 Cb 0.21 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3hd6 h VAL 132 CO -0.21 0.16 0.50 0.00 0.02 0.00 0.00 177.57 178.04 3hd6 h ALA 133 N 1.70 1.91 -0.33 1.67 0.00 -0.39 0.10 119.26 123.93 3hd6 h ALA 133 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hd6 h ALA 133 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hd6 h ALA 133 CO -0.00 -0.09 -0.05 0.66 0.00 0.00 0.00 179.25 179.77 3hd6 h SER 134 N 0.58 0.50 -0.02 0.00 4.64 -1.24 -0.85 113.55 117.16 3hd6 h SER 134 Ca 0.36 -0.11 -0.20 0.00 -0.47 0.00 0.00 61.79 61.37 3hd6 h SER 134 Cb 0.60 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3hd6 h SER 134 CO -0.13 0.61 -0.72 0.58 -0.87 0.00 0.00 176.83 176.30 3hd6 h VAL 135 N 0.50 1.31 -0.93 0.95 2.07 -1.09 -2.11 116.25 116.95 3hd6 h VAL 135 Ca 0.10 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.70 3hd6 h VAL 135 Cb 0.41 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3hd6 h VAL 135 CO 0.02 0.62 0.59 0.00 0.02 0.00 0.00 177.57 178.82 3hd6 h VAL 137 N 1.09 0.41 -0.87 0.00 2.07 -1.06 -2.88 116.25 115.02 3hd6 h VAL 137 Ca 0.39 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.95 3hd6 h VAL 137 Cb 0.13 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3hd6 h VAL 137 CO -0.16 0.00 0.55 0.00 0.02 0.00 0.00 177.57 177.98 3hd6 h ALA 138 N -0.10 1.15 -0.99 1.67 0.00 -1.04 -0.79 119.26 119.16 3hd6 h ALA 138 Ca -0.03 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.05 3hd6 h ALA 138 Cb 0.56 -0.29 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3hd6 h ALA 138 CO -0.01 0.38 0.62 0.35 0.00 0.00 0.00 179.25 180.59 3hd6 h PHE 139 N 1.07 0.94 -0.67 0.00 3.57 -0.75 -0.97 116.94 120.12 3hd6 h PHE 139 Ca 0.35 0.03 0.17 0.00 3.53 0.00 0.00 57.97 62.06 3hd6 h PHE 139 Cb 0.04 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3hd6 h PHE 139 CO -0.02 0.19 0.47 0.78 -2.23 0.00 0.00 178.31 177.50 3hd6 h GLY 140 N 0.66 0.24 1.35 2.40 0.00 -0.92 0.18 103.07 106.98 3hd6 h GLY 140 Ca 0.57 -0.06 -0.27 0.00 0.00 0.00 0.00 47.33 47.57 3hd6 h GLY 140 CO -0.34 0.02 -1.09 0.00 0.00 0.00 0.00 176.54 175.12 3hd6 h ALA 141 N 1.67 0.16 -0.02 3.60 0.00 -1.27 -0.35 119.26 123.05 3hd6 h ALA 141 Ca 0.33 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hd6 h ALA 141 Cb 1.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3hd6 h ALA 141 CO -0.04 0.75 -0.42 1.33 0.00 0.00 0.00 179.25 180.86 3hd6 n VAL 142 N -3.78 0.00 -1.63 0.00 0.24 -0.88 -2.38 118.33 109.90 3hd6 n VAL 142 Ca -0.10 -0.28 -0.57 0.00 -2.04 0.00 0.00 64.34 61.34 3hd6 n VAL 142 Cb 0.91 1.26 -0.07 0.00 -1.47 0.00 0.00 33.84 34.47 3hd6 n VAL 142 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3hd6 n LEU 143 N 0.12 1.43 0.00 1.34 7.94 0.59 -1.93 117.00 126.49 3hd6 n LEU 143 Ca 0.10 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3hd6 n LEU 143 Cb 0.48 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.36 3hd6 n LEU 143 CO 0.27 -1.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.12 3hd6 n GLY 144 N 2.96 1.14 0.00 -3.96 0.00 -1.26 -4.78 105.19 99.29 3hd6 n GLY 144 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3hd6 n GLY 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hd6 n LYS 145 N -2.00 -0.36 -4.27 1.61 5.02 -0.81 -1.05 118.16 116.30 3hd6 n LYS 145 Ca 0.00 -0.56 -0.20 0.00 -2.02 0.00 0.00 58.31 55.53 3hd6 n LYS 145 Cb 0.00 -0.93 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 3hd6 n LYS 145 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hd6 s VAL 146 N -0.12 1.18 0.67 -0.18 -7.23 -1.24 -4.55 120.40 108.92 3hd6 s VAL 146 Ca 0.00 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 58.86 3hd6 s VAL 146 Cb 0.00 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.84 3hd6 s VAL 146 CO 0.00 -0.11 1.07 -0.94 -0.31 0.00 0.00 175.10 174.81 3hd6 s SER 147 N -1.49 5.78 0.56 4.85 1.04 -1.26 -4.91 113.70 118.26 3hd6 s SER 147 Ca 0.00 1.25 0.29 0.00 0.48 0.00 0.00 55.95 57.98 3hd6 s SER 147 Cb -0.09 -2.16 1.64 0.00 0.10 0.00 0.00 66.02 65.51 3hd6 s SER 147 CO 0.02 -1.14 2.16 1.55 0.98 0.00 0.00 173.24 176.81 3hd6 h PRO 148 N -0.51 0.00 -0.29 4.02 0.13 -1.94 -1.73 132.00 131.68 3hd6 h PRO 148 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 3hd6 h PRO 148 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3hd6 h PRO 148 CO 0.63 0.07 -0.16 0.82 -0.23 0.00 0.00 178.00 179.12 3hd6 h ILE 149 N 0.00 1.30 -0.92 -3.56 2.04 -1.93 -1.77 117.51 112.67 3hd6 h ILE 149 Ca -0.00 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 3hd6 h ILE 149 Cb 0.19 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 3hd6 h ILE 149 CO 0.01 0.41 0.54 1.56 0.00 0.00 0.00 178.15 180.67 3hd6 h GLN 150 N 0.37 1.26 -0.66 2.37 4.20 -1.60 -1.60 115.11 119.46 3hd6 h GLN 150 Ca 0.06 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 3hd6 h GLN 150 Cb 0.69 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3hd6 h GLN 150 CO 0.05 0.89 0.21 -0.07 -0.67 0.00 0.00 178.83 179.23 3hd6 h LEU 151 N 1.27 0.95 -0.53 1.46 3.38 -1.27 0.19 115.31 120.77 3hd6 h LEU 151 Ca 0.33 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3hd6 h LEU 151 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3hd6 h LEU 151 CO -0.06 0.90 0.02 -0.07 0.09 0.00 0.00 178.44 179.33 3hd6 h LEU 152 N 0.95 0.89 -0.42 1.67 3.38 -1.05 0.13 115.31 120.87 3hd6 h LEU 152 Ca 0.21 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hd6 h LEU 152 Cb 0.29 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hd6 h LEU 152 CO -0.01 0.97 0.17 0.40 0.09 0.00 0.00 178.44 180.06 3hd6 h ILE 153 N 0.79 1.20 -0.35 1.22 2.04 -1.07 -0.58 117.51 120.76 3hd6 h ILE 153 Ca 0.15 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3hd6 h ILE 153 Cb 0.50 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3hd6 h ILE 153 CO 0.02 0.22 0.14 -0.03 0.00 0.00 0.00 178.15 178.50 3hd6 h MET 154 N 0.53 0.29 -0.39 2.37 4.05 -0.43 -2.46 114.93 118.89 3hd6 h MET 154 Ca 0.14 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 3hd6 h MET 154 Cb 0.19 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3hd6 h MET 154 CO -0.01 0.19 0.20 1.15 0.23 0.00 0.00 176.91 178.67 3hd6 h THR 155 N 0.30 0.98 -0.27 -0.77 2.02 -0.46 0.27 112.91 114.98 3hd6 h THR 155 Ca 0.15 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.26 3hd6 h THR 155 Cb 0.11 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.00 3hd6 h THR 155 CO -0.14 0.07 -0.19 0.15 0.37 0.00 0.00 175.52 175.78 3hd6 h PHE 156 N 0.40 -0.49 -0.01 3.16 3.57 -0.84 -0.56 116.94 122.17 3hd6 h PHE 156 Ca 0.16 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.46 3hd6 h PHE 156 Cb 0.06 0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.07 3hd6 h PHE 156 CO -0.10 -0.27 -0.96 0.74 -2.23 0.00 0.00 178.31 175.49 3hd6 h PHE 157 N -0.17 0.78 -0.31 0.41 0.04 -1.20 -3.18 116.94 113.31 3hd6 h PHE 157 Ca 0.15 -0.42 -0.16 0.00 2.80 0.00 0.00 57.97 60.34 3hd6 h PHE 157 Cb 0.40 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 3hd6 h PHE 157 CO -0.37 1.24 -0.46 0.37 -0.60 0.00 0.00 178.31 178.49 3hd6 h GLN 158 N 0.30 0.81 -0.58 1.51 4.15 -0.22 -1.36 115.11 119.72 3hd6 h GLN 158 Ca -0.09 -0.46 0.04 0.00 0.77 0.00 0.00 58.65 58.91 3hd6 h GLN 158 Cb 1.60 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.28 3hd6 h GLN 158 CO 0.18 1.09 0.33 0.28 -1.93 0.00 0.00 178.83 178.78 3hd6 h VAL 159 N 0.64 1.01 -0.16 2.39 2.07 -1.21 0.23 116.25 121.22 3hd6 h VAL 159 Ca 0.04 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3hd6 h VAL 159 Cb 1.04 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3hd6 h VAL 159 CO 0.10 0.12 0.10 0.74 0.02 0.00 0.00 177.57 178.65 3hd6 h THR 160 N 0.64 1.03 -0.47 2.57 2.02 -1.48 -0.87 112.91 116.35 3hd6 h THR 160 Ca 0.25 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3hd6 h THR 160 Cb 0.10 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3hd6 h THR 160 CO -0.14 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 175.85 3hd6 h LEU 161 N 0.21 0.70 -0.50 2.58 3.38 -0.96 -1.80 115.31 118.92 3hd6 h LEU 161 Ca 0.06 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.90 3hd6 h LEU 161 Cb -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 3hd6 h LEU 161 CO -0.02 0.73 0.08 0.15 0.09 0.00 0.00 178.44 179.48 3hd6 h PHE 162 N 0.63 0.13 -0.62 1.13 3.57 -0.39 -0.19 116.94 121.20 3hd6 h PHE 162 Ca 0.15 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hd6 h PHE 162 Cb 0.29 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3hd6 h PHE 162 CO 0.02 -0.02 0.26 0.00 -2.23 0.00 0.00 178.31 176.34 3hd6 h ALA 163 N 1.40 0.80 -0.30 2.41 0.00 -0.77 0.77 119.26 123.56 3hd6 h ALA 163 Ca 0.25 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hd6 h ALA 163 Cb 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hd6 h ALA 163 CO -0.34 0.40 -0.13 0.28 0.00 0.00 0.00 179.25 179.46 3hd6 h VAL 164 N 0.86 1.29 -0.33 0.00 2.07 -1.12 -1.03 116.25 117.99 3hd6 h VAL 164 Ca 0.21 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3hd6 h VAL 164 Cb 0.18 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3hd6 h VAL 164 CO -0.02 0.39 0.17 -1.13 0.02 0.00 0.00 177.57 177.00 3hd6 h ASN 165 N 0.37 0.43 -0.85 0.57 -1.24 -0.86 -0.78 115.58 113.22 3hd6 h ASN 165 Ca 0.07 -0.11 0.06 0.00 0.71 0.00 0.00 56.30 57.03 3hd6 h ASN 165 Cb 0.65 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.53 3hd6 h ASN 165 CO 0.04 0.42 0.52 -0.08 -1.29 0.00 0.00 177.43 177.04 3hd6 h GLU 166 N 0.40 0.92 -0.34 6.67 4.81 -0.84 -1.03 114.58 125.18 3hd6 h GLU 166 Ca 0.11 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 3hd6 h GLU 166 Cb 0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3hd6 h GLU 166 CO -0.02 0.61 0.04 0.35 -0.73 0.00 0.00 179.01 179.27 3hd6 h PHE 167 N 0.95 0.61 -0.41 0.92 3.57 -0.88 -0.18 116.94 121.51 3hd6 h PHE 167 Ca 0.37 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hd6 h PHE 167 Cb 0.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hd6 h PHE 167 CO -0.03 0.64 0.26 0.82 -2.23 0.00 0.00 178.31 177.77 3hd6 h ILE 168 N 0.39 1.08 0.27 1.41 2.04 -0.79 -1.39 117.51 120.52 3hd6 h ILE 168 Ca 0.10 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 3hd6 h ILE 168 Cb 0.37 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3hd6 h ILE 168 CO 0.01 0.10 -0.13 -0.07 0.00 0.00 0.00 178.15 178.06 3hd6 h LEU 169 N 0.53 -0.31 0.01 1.44 4.07 -1.07 0.19 115.31 120.18 3hd6 h LEU 169 Ca 0.16 -0.22 -0.26 0.00 0.08 0.00 0.00 57.88 57.64 3hd6 h LEU 169 Cb -0.03 0.08 0.02 0.00 1.08 0.00 0.00 40.66 41.81 3hd6 h LEU 169 CO -0.05 0.13 -1.01 -0.07 -1.08 0.00 0.00 178.44 176.37 3hd6 h LEU 170 N -0.84 0.87 0.00 1.67 4.07 -1.09 -0.05 115.31 119.94 3hd6 h LEU 170 Ca -0.04 -0.75 -0.24 0.00 0.08 0.00 0.00 57.88 56.94 3hd6 h LEU 170 Cb 0.51 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 3hd6 h LEU 170 CO 0.06 1.50 -1.43 0.59 -1.08 0.00 0.00 178.44 178.09 3hd6 n ASN 171 N -3.90 1.88 0.08 -0.43 4.13 -0.55 -3.52 115.26 112.95 3hd6 n ASN 171 Ca -0.11 0.43 -0.22 0.00 1.68 0.00 0.00 54.58 56.36 3hd6 n ASN 171 Cb 0.87 -0.91 -0.14 0.00 -1.54 0.00 0.00 39.78 38.05 3hd6 n ASN 171 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 3hd6 h LEU 172 N -1.00 0.66 -0.09 3.41 3.38 -1.21 -3.34 115.31 117.13 3hd6 h LEU 172 Ca -0.36 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.71 3hd6 h LEU 172 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3hd6 h LEU 172 CO -0.22 1.51 -0.66 0.18 0.09 0.00 0.00 178.44 179.34 3hd6 n LEU 173 N -3.96 0.80 -3.66 1.67 4.77 0.02 -4.97 117.00 111.67 3hd6 n LEU 173 Ca -0.14 -0.24 -0.27 0.00 -0.03 0.00 0.00 56.01 55.33 3hd6 n LEU 173 Cb 0.92 -0.14 0.04 0.00 -2.33 0.00 0.00 43.42 41.91 3hd6 n LEU 173 CO 0.54 0.19 0.11 0.29 -1.33 0.00 0.00 177.39 177.19 3hd6 n LYS 174 N -1.36 -5.79 -2.88 3.23 4.76 -0.70 -4.91 118.16 110.51 3hd6 n LYS 174 Ca 0.06 0.68 -0.35 0.00 -2.87 0.00 0.00 58.31 55.83 3hd6 n LYS 174 Cb 0.34 -5.59 -0.07 0.00 -1.84 0.00 0.00 35.03 27.87 3hd6 n LYS 174 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hd6 s VAL 175 N -3.24 4.37 -0.18 -0.18 1.01 -0.12 -4.99 120.40 117.07 3hd6 s VAL 175 Ca 0.57 1.55 -0.09 0.00 0.00 0.00 0.00 61.98 64.01 3hd6 s VAL 175 Cb -0.28 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3hd6 s VAL 175 CO 0.71 -0.04 0.12 -0.54 0.00 0.00 0.00 175.10 175.35 3hd6 s LYS 176 N -2.52 3.98 -0.47 2.72 1.02 -1.26 -4.43 119.74 118.78 3hd6 s LYS 176 Ca 0.54 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.38 3hd6 s LYS 176 Cb -0.14 -3.34 0.26 0.00 -0.52 0.00 0.00 37.83 34.09 3hd6 s LYS 176 CO 0.19 0.41 0.88 -3.47 -0.92 0.00 0.00 175.35 172.44 3hd6 n ASP 177 N 3.15 -2.34 -0.21 2.83 2.03 -1.26 -4.93 116.55 115.82 3hd6 n ASP 177 Ca -0.17 -3.30 -0.03 0.00 0.52 0.00 0.00 54.79 51.81 3hd6 n ASP 177 Cb 0.53 1.49 0.08 0.00 -0.72 0.00 0.00 41.12 42.49 3hd6 n ASP 177 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hd6 h ALA 178 N 3.80 0.82 -0.32 -1.67 0.00 -1.80 -2.41 119.26 117.68 3hd6 h ALA 178 Ca -0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hd6 h ALA 178 Cb 1.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3hd6 h ALA 178 CO 0.32 0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3hd6 n GLY 179 N -1.27 1.18 2.30 0.00 0.00 0.21 -4.66 105.19 102.94 3hd6 n GLY 179 Ca 0.07 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3hd6 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd6 n GLY 180 N 1.36 -0.08 0.36 -0.02 0.00 -0.91 -4.71 105.19 101.19 3hd6 n GLY 180 Ca 0.18 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.95 3hd6 n GLY 180 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hd6 h SER 181 N -0.24 0.60 0.00 1.61 0.02 -1.84 0.27 113.55 113.98 3hd6 h SER 181 Ca -0.29 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.56 3hd6 h SER 181 Cb 1.21 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3hd6 h SER 181 CO 0.33 0.35 -0.93 0.23 -1.14 0.00 0.00 176.83 175.67 3hd6 n MET 182 N -4.50 0.51 0.15 3.45 2.81 -1.26 -0.92 117.12 117.35 3hd6 n MET 182 Ca 0.13 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.56 3hd6 n MET 182 Cb 0.36 -1.70 0.22 0.00 -0.71 0.00 0.00 33.22 31.39 3hd6 n MET 182 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3hd6 h THR 183 N -1.00 1.35 0.00 2.03 1.35 -1.90 -1.02 112.91 113.73 3hd6 h THR 183 Ca -0.18 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3hd6 h THR 183 Cb 0.91 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3hd6 h THR 183 CO -0.11 0.54 -0.77 -0.38 -0.25 0.00 0.00 175.52 174.55 3hd6 n ILE 184 N -3.81 1.34 0.01 6.82 5.41 -0.02 -4.47 119.36 124.63 3hd6 n ILE 184 Ca -0.01 0.20 -0.06 0.00 1.00 0.00 0.00 62.75 63.88 3hd6 n ILE 184 Cb 0.57 -2.16 -0.04 0.00 -0.71 0.00 0.00 39.64 37.30 3hd6 n ILE 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 3hd6 h HIS 185 N -0.77 -0.13 -0.35 1.39 3.86 -1.36 0.93 115.15 118.71 3hd6 h HIS 185 Ca 0.00 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3hd6 h HIS 185 Cb 0.77 0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 3hd6 h HIS 185 CO -0.33 0.16 0.15 1.15 0.86 0.00 0.00 177.93 179.93 3hd6 h THR 186 N -1.00 0.95 0.35 2.45 2.02 -1.08 0.35 112.91 116.95 3hd6 h THR 186 Ca -0.01 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3hd6 h THR 186 Cb 0.35 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3hd6 h THR 186 CO 0.02 0.06 -0.17 0.15 0.37 0.00 0.00 175.52 175.95 3hd6 h PHE 187 N 0.33 -0.44 -0.98 3.16 3.57 -1.28 -2.37 116.94 118.93 3hd6 h PHE 187 Ca 0.15 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3hd6 h PHE 187 Cb 0.09 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 3hd6 h PHE 187 CO -0.12 -0.19 0.64 0.78 -2.23 0.00 0.00 178.31 177.19 3hd6 h GLY 188 N -0.60 1.41 0.59 2.40 0.00 -0.72 -1.77 103.07 104.38 3hd6 h GLY 188 Ca -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3hd6 h GLY 188 CO 0.08 0.44 -0.03 0.00 0.00 0.00 0.00 176.54 177.03 3hd6 h ALA 189 N 1.42 0.05 0.00 3.60 0.00 -0.85 -0.33 119.26 123.15 3hd6 h ALA 189 Ca 0.38 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3hd6 h ALA 189 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hd6 h ALA 189 CO -0.11 -0.19 -0.58 1.88 0.00 0.00 0.00 179.25 180.25 3hd6 h TYR 190 N -0.36 0.00 0.49 0.00 0.05 -1.40 0.11 116.97 115.86 3hd6 h TYR 190 Ca 0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3hd6 h TYR 190 Cb 0.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 3hd6 h TYR 190 CO 0.08 0.58 -0.23 0.35 -1.05 0.00 0.00 178.16 177.89 3hd6 h PHE 191 N 0.00 -0.61 -0.74 4.88 3.57 -1.36 -1.06 116.94 121.63 3hd6 h PHE 191 Ca -0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.60 3hd6 h PHE 191 Cb 1.38 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 40.24 3hd6 h PHE 191 CO 0.00 -0.31 0.34 0.78 -2.23 0.00 0.00 178.31 176.89 3hd6 h GLY 192 N -0.82 1.13 1.49 2.40 0.00 -0.86 -0.20 103.07 106.21 3hd6 h GLY 192 Ca -0.07 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3hd6 h GLY 192 CO 0.11 -0.02 -0.58 1.41 0.00 0.00 0.00 176.54 177.46 3hd6 h LEU 193 N 0.53 0.60 -0.26 3.11 3.38 -0.80 0.26 115.31 122.13 3hd6 h LEU 193 Ca 0.39 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hd6 h LEU 193 Cb 0.51 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hd6 h LEU 193 CO -0.34 1.04 0.12 0.74 0.09 0.00 0.00 178.44 180.10 3hd6 h THR 194 N 0.40 1.15 -0.41 0.22 2.02 -0.85 -1.38 112.91 114.06 3hd6 h THR 194 Ca 0.00 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3hd6 h THR 194 Cb 1.13 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3hd6 h THR 194 CO 0.11 0.15 0.24 0.58 0.37 0.00 0.00 175.52 176.97 3hd6 h VAL 195 N 0.29 1.03 -0.32 3.16 2.07 -0.80 -2.00 116.25 119.67 3hd6 h VAL 195 Ca 0.09 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.37 3hd6 h VAL 195 Cb 0.13 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3hd6 h VAL 195 CO -0.01 0.09 -0.13 0.00 0.02 0.00 0.00 177.57 177.54 3hd6 h THR 196 N 0.48 1.24 -0.30 2.57 1.03 -0.89 -0.52 112.91 116.51 3hd6 h THR 196 Ca 0.17 -1.06 -0.01 0.00 -0.01 0.00 0.00 66.41 65.49 3hd6 h THR 196 Cb 0.02 1.13 -0.01 0.00 -1.07 0.00 0.00 68.15 68.22 3hd6 h THR 196 CO -0.08 0.35 0.15 -0.09 -0.01 0.00 0.00 175.52 175.84 3hd6 h ARG 197 N 0.51 0.44 -0.59 0.00 9.65 -0.95 -1.53 114.38 121.90 3hd6 h ARG 197 Ca 0.09 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3hd6 h ARG 197 Cb 0.52 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 3hd6 h ARG 197 CO 0.03 0.40 0.29 0.82 2.80 0.00 0.00 179.97 184.31 3hd6 h ILE 198 N 0.36 1.19 -0.18 1.20 1.08 -1.01 -1.87 117.51 118.29 3hd6 h ILE 198 Ca 0.11 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3hd6 h ILE 198 Cb 0.11 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3hd6 h ILE 198 CO -0.01 0.22 0.00 0.18 -0.69 0.00 0.00 178.15 177.85 3hd6 n LEU 199 N -4.36 2.13 -4.55 1.44 4.77 -0.24 -4.97 117.00 111.22 3hd6 n LEU 199 Ca 0.05 -1.08 -0.51 0.00 -0.03 0.00 0.00 56.01 54.44 3hd6 n LEU 199 Cb 0.12 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 3hd6 n LEU 199 CO 0.38 0.35 0.67 0.00 -1.33 0.00 0.00 177.39 177.45 3hd6 n TYR 200 N 0.17 1.07 -3.92 -1.77 9.36 -0.61 -4.96 117.16 116.50 3hd6 n TYR 200 Ca 0.08 0.76 -0.35 0.00 3.32 0.00 0.00 57.90 61.72 3hd6 n TYR 200 Cb 0.46 -2.23 -0.14 0.00 -0.63 0.00 0.00 39.34 36.80 3hd6 n TYR 200 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hd6 s ARG 201 N -0.19 2.55 0.41 2.98 0.52 -1.26 -5.00 118.95 118.96 3hd6 s ARG 201 Ca 0.78 -1.18 0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3hd6 s ARG 201 Cb -0.96 -3.14 0.86 0.00 0.52 0.00 0.00 34.95 32.24 3hd6 s ARG 201 CO 0.52 -0.56 1.98 -0.09 0.02 0.00 0.00 175.30 177.17 3hd6 h ARG 202 N 8.01 0.28 -0.47 3.54 2.43 -2.00 -2.91 114.38 123.26 3hd6 h ARG 202 Ca -0.24 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 58.61 3hd6 h ARG 202 Cb 1.07 -0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 30.41 3hd6 h ARG 202 CO 0.54 0.33 -0.06 0.09 -1.51 0.00 0.00 179.97 179.35 3hd6 n ASN 203 N -4.36 3.10 0.28 -3.80 3.02 -1.26 -4.71 115.26 107.53 3hd6 n ASN 203 Ca -0.00 -3.79 0.13 0.00 -0.03 0.00 0.00 54.58 50.89 3hd6 n ASN 203 Cb 0.19 -0.64 0.80 0.00 -0.61 0.00 0.00 39.78 39.52 3hd6 n ASN 203 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hd6 h LEU 204 N 1.19 0.00 -2.22 3.41 5.85 -1.73 -1.46 115.31 120.34 3hd6 h LEU 204 Ca 0.29 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.06 3hd6 h LEU 204 Cb 1.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 3hd6 h LEU 204 CO 0.54 0.05 0.24 1.05 -0.34 0.00 0.00 178.44 179.99 3hd6 h GLU 205 N 0.00 0.00 0.00 1.25 4.11 -1.85 0.06 114.58 118.15 3hd6 h GLU 205 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hd6 h GLU 205 Cb 0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hd6 h GLU 205 CO 0.01 0.00 -0.01 1.96 0.07 0.00 0.00 179.01 181.04 3hd6 h GLN 206 N 0.00 0.00 -0.24 1.06 4.20 -1.48 -1.87 115.11 116.78 3hd6 h GLN 206 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hd6 h GLN 206 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3hd6 h GLN 206 CO -0.00 0.01 0.00 0.43 -0.67 0.00 0.00 178.83 178.60 3hd6 n SER 207 N -3.23 2.90 0.22 1.46 7.64 0.00 -4.71 113.62 117.90 3hd6 n SER 207 Ca -0.03 -1.85 0.15 0.00 1.01 0.00 0.00 58.87 58.16 3hd6 n SER 207 Cb 0.11 -0.15 0.67 0.00 -1.01 0.00 0.00 64.21 63.83 3hd6 n SER 207 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3hd6 h LYS 208 N 3.43 0.00 0.00 1.43 3.64 -1.33 -1.14 116.57 122.60 3hd6 h LYS 208 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hd6 h LYS 208 Cb 0.80 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3hd6 h LYS 208 CO 0.00 0.00 0.00 1.05 -2.27 0.00 0.00 179.45 178.23 3hd6 h GLU 209 N 0.00 0.00 -0.01 1.90 9.09 -1.84 -2.55 114.58 121.17 3hd6 h GLU 209 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hd6 h GLU 209 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 3hd6 h GLU 209 CO 0.00 0.00 -0.58 0.54 0.05 0.00 0.00 179.01 179.02 3hd6 n ARG 210 N -2.79 1.41 -1.80 1.06 1.74 -0.44 -4.75 116.66 111.10 3hd6 n ARG 210 Ca 0.00 -0.47 -0.40 0.00 -0.77 0.00 0.00 57.85 56.21 3hd6 n ARG 210 Cb 0.22 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 3hd6 n ARG 210 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3hd6 n GLN 211 N -0.70 3.97 -3.87 5.56 7.27 -0.96 -4.31 117.38 124.33 3hd6 n GLN 211 Ca 0.06 -2.97 -0.02 0.00 0.07 0.00 0.00 57.00 54.13 3hd6 n GLN 211 Cb 0.33 -2.80 0.01 0.00 2.41 0.00 0.00 30.24 30.19 3hd6 n GLN 211 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3hd6 s ASN 212 N 1.34 -0.02 0.35 1.69 2.20 -1.26 -5.04 114.94 114.20 3hd6 s ASN 212 Ca 0.56 -0.55 0.08 0.00 -0.94 0.00 0.00 52.86 52.01 3hd6 s ASN 212 Cb 0.16 0.42 -0.03 0.00 -2.00 0.00 0.00 41.25 39.81 3hd6 s ASN 212 CO -0.07 -0.84 0.28 -0.94 -2.94 0.00 0.00 177.10 172.59 3hd6 s SER 213 N -3.40 5.11 0.42 3.54 1.04 -1.25 -0.99 113.70 118.17 3hd6 s SER 213 Ca 0.22 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.11 3hd6 s SER 213 Cb -0.02 -0.85 -0.07 0.00 0.10 0.00 0.00 66.02 65.18 3hd6 s SER 213 CO 0.04 -0.40 0.03 0.68 0.98 0.00 0.00 173.24 174.57 3hd6 s VAL 214 N -2.36 2.00 0.19 5.02 -7.23 -1.26 -4.82 120.40 111.94 3hd6 s VAL 214 Ca 0.41 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.45 3hd6 s VAL 214 Cb -0.04 -2.96 0.16 0.00 0.56 0.00 0.00 36.38 34.10 3hd6 s VAL 214 CO 0.26 0.00 1.62 0.22 -0.31 0.00 0.00 175.10 176.89 3hd6 h TYR 215 N 1.70 -0.55 -0.07 2.82 3.20 -2.00 -1.75 116.97 120.32 3hd6 h TYR 215 Ca -0.44 0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.35 3hd6 h TYR 215 Cb 1.25 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.82 3hd6 h TYR 215 CO 0.76 -0.31 -0.58 1.96 -1.64 0.00 0.00 178.16 178.35 3hd6 h GLN 216 N -0.09 0.21 0.00 1.82 7.50 -1.99 -2.82 115.11 119.74 3hd6 h GLN 216 Ca 0.25 -0.14 -0.09 0.00 0.50 0.00 0.00 58.65 59.17 3hd6 h GLN 216 Cb 0.48 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 3hd6 h GLN 216 CO -0.59 0.73 -0.42 0.66 -1.50 0.00 0.00 178.83 177.71 3hd6 h SER 217 N 0.16 0.00 0.61 1.46 4.64 -1.64 -2.11 113.55 116.67 3hd6 h SER 217 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3hd6 h SER 217 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3hd6 h SER 217 CO 0.09 0.42 -0.68 0.44 -0.87 0.00 0.00 176.83 176.23 3hd6 h ASP 218 N 0.00 0.07 -0.25 4.97 3.32 -1.20 -1.88 116.42 121.46 3hd6 h ASP 218 Ca -0.00 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 3hd6 h ASP 218 Cb 0.84 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3hd6 h ASP 218 CO 0.05 0.73 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.78 3hd6 h LEU 219 N 0.04 0.84 -0.88 1.55 3.38 -1.32 -2.39 115.31 116.54 3hd6 h LEU 219 Ca -0.01 -0.53 0.01 0.00 0.09 0.00 0.00 57.88 57.44 3hd6 h LEU 219 Cb 1.20 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 3hd6 h LEU 219 CO 0.09 1.21 0.58 -0.26 0.09 0.00 0.00 178.44 180.16 3hd6 h PHE 220 N 0.50 1.10 -0.33 1.13 0.04 -1.35 -2.68 116.94 115.36 3hd6 h PHE 220 Ca 0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3hd6 h PHE 220 Cb 1.06 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 3hd6 h PHE 220 CO 0.08 0.69 0.03 0.00 -0.60 0.00 0.00 178.31 178.51 3hd6 h ALA 221 N 1.33 1.45 0.00 2.45 0.00 -1.26 -2.02 119.26 121.20 3hd6 h ALA 221 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hd6 h ALA 221 Cb -0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3hd6 h ALA 221 CO -0.07 0.40 -0.07 0.52 0.00 0.00 0.00 179.25 180.02 3hd6 h MET 222 N 0.48 0.00 -0.39 0.00 2.86 -1.07 -0.59 114.93 116.23 3hd6 h MET 222 Ca 0.11 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3hd6 h MET 222 Cb 0.26 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3hd6 h MET 222 CO 0.00 0.07 0.24 0.82 1.06 0.00 0.00 176.91 179.11 3hd6 h ILE 223 N 0.00 1.12 -0.02 -1.22 2.04 -1.31 -0.58 117.51 117.54 3hd6 h ILE 223 Ca -0.00 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3hd6 h ILE 223 Cb 0.27 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3hd6 h ILE 223 CO 0.01 0.12 0.01 1.23 0.00 0.00 0.00 178.15 179.51 3hd6 h GLY 224 N 0.51 0.03 0.42 5.37 0.00 -1.19 -2.40 103.07 105.81 3hd6 h GLY 224 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3hd6 h GLY 224 CO -0.03 0.02 -0.03 -0.84 0.00 0.00 0.00 176.54 175.66 3hd6 h THR 225 N -0.17 0.72 -0.30 4.70 2.02 -1.14 -2.32 112.91 116.41 3hd6 h THR 225 Ca 0.01 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 3hd6 h THR 225 Cb 0.21 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3hd6 h THR 225 CO -0.00 0.01 -0.39 -0.07 0.37 0.00 0.00 175.52 175.44 3hd6 h LEU 226 N 0.06 0.76 -0.77 2.58 3.38 -1.07 -1.12 115.31 119.12 3hd6 h LEU 226 Ca 0.16 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 3hd6 h LEU 226 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hd6 h LEU 226 CO -0.30 1.06 -0.49 -0.26 0.09 0.00 0.00 178.44 178.55 3hd6 h PHE 227 N 0.59 0.37 -0.22 1.13 -1.00 -1.27 0.19 116.94 116.73 3hd6 h PHE 227 Ca 0.05 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 3hd6 h PHE 227 Cb 0.93 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.40 3hd6 h PHE 227 CO 0.05 0.74 0.08 -0.07 -1.61 0.00 0.00 178.31 177.49 3hd6 h LEU 228 N 0.24 0.31 -0.18 1.54 3.38 -1.30 -2.30 115.31 117.00 3hd6 h LEU 228 Ca 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3hd6 h LEU 228 Cb 0.95 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3hd6 h LEU 228 CO 0.08 0.41 -0.05 -0.25 0.09 0.00 0.00 178.44 178.72 3hd6 h TRP 229 N 0.19 0.40 -0.48 1.13 7.01 -0.95 -1.10 115.95 122.15 3hd6 h TRP 229 Ca 0.07 -0.09 -0.09 0.00 2.11 0.00 0.00 58.89 60.89 3hd6 h TRP 229 Cb 0.21 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 3hd6 h TRP 229 CO -0.00 0.62 -0.07 0.52 -2.79 0.00 0.00 178.44 176.72 3hd6 h MET 230 N 0.06 0.84 -0.01 2.65 2.86 -1.02 -3.21 114.93 117.10 3hd6 h MET 230 Ca 0.05 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3hd6 h MET 230 Cb 0.50 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3hd6 h MET 230 CO 0.02 0.88 -0.32 0.66 1.06 0.00 0.00 176.91 179.21 3hd6 n TYR 231 N -4.18 0.00 -0.18 -0.22 4.01 -0.86 -4.39 117.16 111.34 3hd6 n TYR 231 Ca 0.02 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.79 3hd6 n TYR 231 Cb 0.35 -0.05 0.30 0.00 -0.31 0.00 0.00 39.34 39.64 3hd6 n TYR 231 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 3hd6 h TRP 232 N 2.14 0.84 -0.38 -0.72 2.91 -1.20 -1.13 115.95 118.40 3hd6 h TRP 232 Ca 0.00 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.12 3hd6 h TRP 232 Cb 0.66 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.01 3hd6 h TRP 232 CO 0.00 0.49 0.26 -1.35 -1.03 0.00 0.00 178.44 176.82 3hd6 h PRO 233 N 0.87 0.16 -0.19 2.65 0.11 -1.80 -0.51 132.00 133.29 3hd6 h PRO 233 Ca 0.28 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 3hd6 h PRO 233 Cb 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hd6 h PRO 233 CO -0.08 0.10 -0.41 0.77 -0.21 0.00 0.00 178.00 178.17 3hd6 h SER 234 N 0.16 0.69 -0.65 -2.05 0.02 -1.53 -2.99 113.55 107.20 3hd6 h SER 234 Ca 0.18 -0.56 0.13 0.00 -0.84 0.00 0.00 61.79 60.70 3hd6 h SER 234 Cb 0.49 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.73 3hd6 h SER 234 CO -0.03 1.12 0.10 0.15 -1.14 0.00 0.00 176.83 177.03 3hd6 h PHE 235 N 0.28 0.13 0.00 3.45 3.57 -0.78 0.19 116.94 123.79 3hd6 h PHE 235 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3hd6 h PHE 235 Cb 1.02 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3hd6 h PHE 235 CO 0.09 -0.10 -0.08 0.09 -2.23 0.00 0.00 178.31 176.09 3hd6 n ASN 236 N -5.19 0.16 -0.00 0.41 3.02 -0.38 -3.88 115.26 109.40 3hd6 n ASN 236 Ca 0.11 0.41 0.02 0.00 -0.03 0.00 0.00 54.58 55.08 3hd6 n ASN 236 Cb 0.38 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3hd6 n ASN 236 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hd6 n SER 237 N -1.59 1.45 -0.22 6.41 3.41 -0.85 -4.17 113.62 118.06 3hd6 n SER 237 Ca 0.07 -0.40 0.03 0.00 -0.26 0.00 0.00 58.87 58.31 3hd6 n SER 237 Cb 0.35 1.06 0.14 0.00 -0.26 0.00 0.00 64.21 65.50 3hd6 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hd6 h ALA 238 N 0.47 0.84 -0.43 7.33 0.00 -0.75 -2.61 119.26 124.11 3hd6 h ALA 238 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hd6 h ALA 238 Cb 0.12 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hd6 h ALA 238 CO 0.00 -0.29 0.00 0.44 0.00 0.00 0.00 179.25 179.40 3hd6 n ILE 239 N -5.11 0.73 -1.84 0.00 -5.35 -1.26 -4.93 119.36 101.60 3hd6 n ILE 239 Ca 0.11 -0.87 -0.41 0.00 -0.27 0.00 0.00 62.75 61.32 3hd6 n ILE 239 Cb 0.38 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 3hd6 n ILE 239 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3hd6 s SER 240 N -1.14 6.42 -0.07 7.28 0.01 -0.99 -4.96 113.70 120.25 3hd6 s SER 240 Ca 0.34 2.97 -0.03 0.00 1.31 0.00 0.00 55.95 60.54 3hd6 s SER 240 Cb 0.19 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3hd6 s SER 240 CO 0.25 -0.84 -0.05 1.88 0.41 0.00 0.00 173.24 174.90 3hd6 h TYR 241 N 3.60 0.00 -4.00 2.43 0.05 -1.91 -3.44 116.97 113.69 3hd6 h TYR 241 Ca -0.49 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.76 3hd6 h TYR 241 Cb 1.23 0.00 0.09 0.00 1.01 0.00 0.00 36.73 39.06 3hd6 h TYR 241 CO 0.55 0.00 0.56 -1.01 -1.05 0.00 0.00 178.16 177.21 3hd6 s HIS 242 N -1.51 2.69 0.37 4.88 3.76 -1.26 -4.92 115.29 119.30 3hd6 s HIS 242 Ca -0.04 1.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.37 3hd6 s HIS 242 Cb 0.01 -3.59 0.71 0.00 1.11 0.00 0.00 32.58 30.82 3hd6 s HIS 242 CO 0.06 -2.08 1.97 0.78 -0.85 0.00 0.00 174.74 174.63 3hd6 h GLY 243 N 2.06 0.62 0.71 -2.22 0.00 -2.00 -2.32 103.07 99.92 3hd6 h GLY 243 Ca -0.50 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 46.56 3hd6 h GLY 243 CO 0.60 0.27 -0.17 -1.80 0.00 0.00 0.00 176.54 175.45 3hd6 h ASP 244 N 0.58 -0.46 0.47 0.19 1.82 -1.99 -1.82 116.42 115.22 3hd6 h ASP 244 Ca 0.14 0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.73 3hd6 h ASP 244 Cb 0.10 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 3hd6 h ASP 244 CO -0.02 -0.24 -0.50 0.77 -1.61 0.00 0.00 179.24 177.65 3hd6 h SER 245 N -0.32 0.03 0.00 2.28 4.64 -1.85 -2.72 113.55 115.62 3hd6 h SER 245 Ca 0.03 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hd6 h SER 245 Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3hd6 h SER 245 CO -0.09 0.53 -0.00 -0.61 -0.87 0.00 0.00 176.83 175.78 3hd6 h GLN 246 N 0.03 -0.01 -0.71 4.77 4.15 -1.18 0.46 115.11 122.63 3hd6 h GLN 246 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.52 3hd6 h GLN 246 Cb 0.89 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.50 3hd6 h GLN 246 CO 0.07 0.10 0.32 1.25 -1.93 0.00 0.00 178.83 178.63 3hd6 h HIS 247 N -0.11 0.56 -0.27 3.99 2.76 -1.32 -1.45 115.15 119.31 3hd6 h HIS 247 Ca -0.00 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 3hd6 h HIS 247 Cb 0.10 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 3hd6 h HIS 247 CO -0.04 0.16 -0.35 -0.09 -1.30 0.00 0.00 177.93 176.30 3hd6 h ARG 248 N 0.53 0.72 -0.56 5.26 2.43 -1.16 -2.55 114.38 119.04 3hd6 h ARG 248 Ca 0.36 -0.41 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3hd6 h ARG 248 Cb 0.44 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.97 3hd6 h ARG 248 CO -0.31 1.03 0.28 0.00 -1.51 0.00 0.00 179.97 179.46 3hd6 h ALA 249 N 0.68 0.73 -0.12 2.80 0.00 0.29 -0.90 119.26 122.73 3hd6 h ALA 249 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hd6 h ALA 249 Cb 0.94 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hd6 h ALA 249 CO 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 179.25 179.31 3hd6 h ALA 250 N 1.31 0.16 -0.22 0.00 0.00 -1.22 -2.13 119.26 117.15 3hd6 h ALA 250 Ca 0.25 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3hd6 h ALA 250 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hd6 h ALA 250 CO -0.18 -0.22 -0.62 0.82 0.00 0.00 0.00 179.25 179.04 3hd6 h ILE 251 N 0.01 1.29 -0.55 0.00 2.04 -1.30 -1.31 117.51 117.70 3hd6 h ILE 251 Ca 0.04 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.05 3hd6 h ILE 251 Cb 0.22 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hd6 h ILE 251 CO -0.00 0.59 0.27 0.78 0.00 0.00 0.00 178.15 179.79 3hd6 h ASN 252 N 0.56 0.68 -0.14 1.72 2.35 -1.17 -0.72 115.58 118.87 3hd6 h ASN 252 Ca -0.01 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3hd6 h ASN 252 Cb 1.22 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 3hd6 h ASN 252 CO 0.13 0.58 -0.12 0.74 -1.65 0.00 0.00 177.43 177.10 3hd6 h THR 253 N 0.77 1.35 -0.63 2.81 2.02 -1.14 -1.26 112.91 116.82 3hd6 h THR 253 Ca 0.19 -1.27 0.10 0.00 0.77 0.00 0.00 66.41 66.21 3hd6 h THR 253 Cb 0.06 1.88 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3hd6 h THR 253 CO -0.03 0.37 0.23 0.22 0.37 0.00 0.00 175.52 176.68 3hd6 h TYR 254 N -0.05 0.39 0.04 3.16 3.20 -0.97 -0.65 116.97 122.09 3hd6 h TYR 254 Ca 0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hd6 h TYR 254 Cb 0.64 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.84 3hd6 h TYR 254 CO 0.08 0.08 -0.02 0.00 -1.64 0.00 0.00 178.16 176.66 3hd6 h SER 256 N -0.34 0.79 -0.75 0.00 0.87 -0.93 -1.75 113.55 111.44 3hd6 h SER 256 Ca -0.01 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3hd6 h SER 256 Cb 0.31 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3hd6 h SER 256 CO 0.01 0.52 0.23 -0.07 -0.53 0.00 0.00 176.83 176.99 3hd6 h LEU 257 N 0.93 1.09 -0.34 2.23 3.38 -1.15 -1.15 115.31 120.31 3hd6 h LEU 257 Ca 0.34 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hd6 h LEU 257 Cb 0.10 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3hd6 h LEU 257 CO -0.15 1.01 0.20 0.00 0.09 0.00 0.00 178.44 179.60 3hd6 h ALA 258 N 1.12 0.43 -0.38 1.53 0.00 -0.83 -2.46 119.26 118.68 3hd6 h ALA 258 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3hd6 h ALA 258 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hd6 h ALA 258 CO -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 179.25 178.94 3hd6 h ALA 259 N 1.07 0.87 -0.93 0.00 0.00 -1.20 -2.92 119.26 116.16 3hd6 h ALA 259 Ca 0.12 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3hd6 h ALA 259 Cb 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3hd6 h ALA 259 CO -0.02 0.63 0.60 0.00 0.00 0.00 0.00 179.25 180.46 3hd6 h VAL 261 N 1.02 1.18 -0.43 0.00 2.07 -1.24 -0.57 116.25 118.29 3hd6 h VAL 261 Ca 0.41 -0.53 -0.12 0.00 0.82 0.00 0.00 66.70 67.28 3hd6 h VAL 261 Cb 0.26 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hd6 h VAL 261 CO -0.17 0.20 -0.21 -0.07 0.02 0.00 0.00 177.57 177.35 3hd6 h LEU 262 N 0.55 0.88 0.09 2.57 4.07 -1.47 -1.37 115.31 120.62 3hd6 h LEU 262 Ca 0.15 -0.32 -0.26 0.00 0.08 0.00 0.00 57.88 57.53 3hd6 h LEU 262 Cb 0.13 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 3hd6 h LEU 262 CO -0.02 1.06 -1.20 0.71 -1.08 0.00 0.00 178.44 177.91 3hd6 h THR 263 N 0.75 1.53 -0.25 0.22 1.35 -1.46 -1.49 112.91 113.55 3hd6 h THR 263 Ca 0.10 -3.14 0.01 0.00 -0.55 0.00 0.00 66.41 62.83 3hd6 h THR 263 Cb 0.75 2.90 -0.02 0.00 -1.73 0.00 0.00 68.15 70.05 3hd6 h THR 263 CO 0.06 0.91 0.15 0.28 -0.25 0.00 0.00 175.52 176.66 3hd6 h SER 264 N 0.05 0.25 -0.51 5.36 0.02 -1.04 -0.63 113.55 117.04 3hd6 h SER 264 Ca -0.11 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3hd6 h SER 264 Cb 1.92 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 64.38 3hd6 h SER 264 CO 0.18 0.18 0.28 0.58 -1.14 0.00 0.00 176.83 176.91 3hd6 h VAL 265 N 0.31 1.17 -0.19 2.27 2.07 -1.28 0.02 116.25 120.62 3hd6 h VAL 265 Ca 0.10 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3hd6 h VAL 265 Cb -0.01 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3hd6 h VAL 265 CO -0.04 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.78 3hd6 h ALA 266 N 1.12 0.20 -0.11 1.67 0.00 -1.06 -2.15 119.26 118.93 3hd6 h ALA 266 Ca 0.18 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 3hd6 h ALA 266 Cb 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hd6 h ALA 266 CO -0.03 -0.39 -0.70 0.82 0.00 0.00 0.00 179.25 178.95 3hd6 h ILE 267 N 0.12 1.35 -0.27 0.00 1.08 -1.00 -1.21 117.51 117.59 3hd6 h ILE 267 Ca 0.08 -2.05 0.05 0.00 -0.39 0.00 0.00 64.86 62.56 3hd6 h ILE 267 Cb 0.07 2.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 3hd6 h ILE 267 CO -0.11 0.62 -0.05 -1.28 -0.69 0.00 0.00 178.15 176.65 3hd6 h SER 268 N 0.35 -0.20 -0.17 1.72 0.87 -0.87 -1.54 113.55 113.71 3hd6 h SER 268 Ca -0.03 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3hd6 h SER 268 Cb 1.28 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 3hd6 h SER 268 CO 0.13 -0.07 0.06 -1.28 -0.53 0.00 0.00 176.83 175.14 3hd6 h SER 269 N 0.02 0.23 -0.66 6.23 0.87 -1.34 -2.99 113.55 115.92 3hd6 h SER 269 Ca 0.13 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3hd6 h SER 269 Cb 0.19 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3hd6 h SER 269 CO -0.26 0.34 0.44 0.00 -0.53 0.00 0.00 176.83 176.82 3hd6 h ALA 270 N 0.90 1.64 -0.00 6.23 0.00 -0.96 -1.94 119.26 125.12 3hd6 h ALA 270 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hd6 h ALA 270 Cb 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hd6 h ALA 270 CO -0.00 0.29 -0.15 1.28 0.00 0.00 0.00 179.25 180.66 3hd6 n LEU 271 N -4.46 0.57 -4.81 0.00 4.77 -0.60 -4.81 117.00 107.66 3hd6 n LEU 271 Ca 0.08 -0.03 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 3hd6 n LEU 271 Cb 0.13 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3hd6 n LEU 271 CO 0.35 0.11 -0.02 -2.28 -1.33 0.00 0.00 177.39 174.21 3hd6 s HIS 272 N -2.52 3.60 0.49 -1.77 2.46 -0.73 -4.99 115.29 111.83 3hd6 s HIS 272 Ca 0.27 0.71 0.13 0.00 0.47 0.00 0.00 55.06 56.64 3hd6 s HIS 272 Cb 0.20 -2.19 1.14 0.00 -0.13 0.00 0.00 32.58 31.60 3hd6 s HIS 272 CO 0.49 0.54 2.12 0.87 -2.47 0.00 0.00 174.74 176.29 3hd6 h LYS 273 N 5.44 0.15 -0.51 2.88 1.79 -1.87 -1.60 116.57 122.85 3hd6 h LYS 273 Ca -0.49 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 3hd6 h LYS 273 Cb 1.20 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3hd6 h LYS 273 CO 0.65 0.11 0.00 1.63 -1.08 0.00 0.00 179.45 180.76 3hd6 n LYS 274 N -4.51 2.67 -1.04 3.15 5.02 -1.26 -4.96 118.16 117.23 3hd6 n LYS 274 Ca -0.01 -2.32 -0.01 0.00 -2.02 0.00 0.00 58.31 53.95 3hd6 n LYS 274 Cb 0.09 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 3hd6 n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hd6 n GLY 275 N 1.13 0.45 3.82 0.72 0.00 -0.60 -5.00 105.19 105.71 3hd6 n GLY 275 Ca 0.18 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3hd6 n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hd6 s LYS 276 N -1.01 4.26 0.48 1.61 1.02 -1.26 -4.57 119.74 120.27 3hd6 s LYS 276 Ca 0.00 1.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.89 3hd6 s LYS 276 Cb 0.00 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 3hd6 s LYS 276 CO 0.00 0.12 0.91 -0.51 -0.92 0.00 0.00 175.35 174.94 3hd6 s LEU 277 N -2.78 3.70 -0.11 3.17 1.43 -1.26 -4.26 118.68 118.57 3hd6 s LEU 277 Ca 0.56 1.42 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 3hd6 s LEU 277 Cb -0.12 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.77 3hd6 s LEU 277 CO 0.17 -0.52 -0.22 -0.62 0.23 0.00 0.00 176.35 175.39 3hd6 s ASP 278 N -3.09 2.97 0.55 2.29 -1.08 -1.26 -5.02 116.67 112.03 3hd6 s ASP 278 Ca 0.56 -0.55 0.30 0.00 -0.52 0.00 0.00 52.55 52.34 3hd6 s ASP 278 Cb -0.10 -1.36 1.62 0.00 -1.46 0.00 0.00 42.92 41.62 3hd6 s ASP 278 CO 0.31 0.13 2.14 0.24 0.52 0.00 0.00 175.17 178.51 3hd6 h MET 279 N 6.90 0.00 -0.79 4.34 2.86 -1.98 -1.11 114.93 125.15 3hd6 h MET 279 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3hd6 h MET 279 Cb 1.22 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 3hd6 h MET 279 CO 0.49 0.08 0.50 0.28 1.06 0.00 0.00 176.91 179.32 3hd6 h VAL 280 N 0.00 1.21 -0.24 -2.22 2.07 -1.98 -0.38 116.25 114.70 3hd6 h VAL 280 Ca -0.00 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 3hd6 h VAL 280 Cb 0.23 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3hd6 h VAL 280 CO 0.01 0.21 -0.27 0.45 0.02 0.00 0.00 177.57 178.00 3hd6 h HIS 281 N 1.07 0.73 0.00 1.57 3.86 -1.63 -2.26 115.15 118.50 3hd6 h HIS 281 Ca 0.29 -0.23 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3hd6 h HIS 281 Cb -0.09 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3hd6 h HIS 281 CO -0.01 0.94 -0.45 0.82 0.86 0.00 0.00 177.93 180.09 3hd6 h ILE 282 N 0.31 1.29 0.02 2.45 5.03 -1.34 0.48 117.51 125.75 3hd6 h ILE 282 Ca 0.04 -1.56 -0.20 0.00 -0.12 0.00 0.00 64.86 63.01 3hd6 h ILE 282 Cb 0.83 1.85 -0.02 0.00 -3.03 0.00 0.00 36.82 36.45 3hd6 h ILE 282 CO 0.06 0.44 -0.94 1.56 -0.68 0.00 0.00 178.15 178.59 3hd6 h GLN 283 N 0.00 0.08 0.00 2.37 4.20 -1.06 -3.40 115.11 117.31 3hd6 h GLN 283 Ca -0.00 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3hd6 h GLN 283 Cb 0.81 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3hd6 h GLN 283 CO 0.06 0.96 -1.11 0.09 -0.67 0.00 0.00 178.83 178.15 3hd6 n ASN 284 N -3.52 0.52 0.22 1.46 3.02 -0.85 -4.68 115.26 111.43 3hd6 n ASN 284 Ca -0.02 0.02 0.09 0.00 -0.03 0.00 0.00 54.58 54.64 3hd6 n ASN 284 Cb 0.87 -0.06 0.50 0.00 -0.61 0.00 0.00 39.78 40.48 3hd6 n ASN 284 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hd6 h ALA 285 N -0.07 1.13 0.00 5.41 0.00 -1.06 -2.12 119.26 122.55 3hd6 h ALA 285 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hd6 h ALA 285 Cb 1.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hd6 h ALA 285 CO -0.03 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.79 3hd6 n THR 286 N -3.58 1.17 1.02 0.00 -2.24 -1.19 -2.05 114.28 107.40 3hd6 n THR 286 Ca -0.01 0.37 0.11 0.00 -2.27 0.00 0.00 64.05 62.25 3hd6 n THR 286 Cb 0.39 -1.26 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 3hd6 n THR 286 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hd6 n LEU 287 N -1.82 1.19 0.13 3.22 4.77 -0.80 -4.47 117.00 119.22 3hd6 n LEU 287 Ca 0.02 -0.48 0.03 0.00 -0.03 0.00 0.00 56.01 55.55 3hd6 n LEU 287 Cb 0.13 -0.04 0.42 0.00 -2.33 0.00 0.00 43.42 41.59 3hd6 n LEU 287 CO 0.12 0.26 0.91 0.00 -1.33 0.00 0.00 177.39 177.35 3hd6 h ALA 288 N 3.27 1.56 0.00 -1.18 0.00 -1.52 -1.77 119.26 119.61 3hd6 h ALA 288 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3hd6 h ALA 288 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3hd6 h ALA 288 CO 0.00 0.32 -0.22 0.78 0.00 0.00 0.00 179.25 180.12 3hd6 h GLY 289 N 0.67 0.00 0.69 0.00 0.00 -1.79 -1.41 103.07 101.23 3hd6 h GLY 289 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hd6 h GLY 289 CO 0.02 0.00 -0.04 -1.33 0.00 0.00 0.00 176.54 175.19 3hd6 h GLY 290 N 0.86 0.20 0.99 4.60 0.00 -1.62 -3.07 103.07 105.03 3hd6 h GLY 290 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3hd6 h GLY 290 CO 0.03 0.16 0.18 -2.08 0.00 0.00 0.00 176.54 174.83 3hd6 h VAL 291 N -0.17 1.06 0.00 4.60 2.07 -1.46 -3.02 116.25 119.33 3hd6 h VAL 291 Ca 0.02 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3hd6 h VAL 291 Cb 0.48 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hd6 h VAL 291 CO 0.01 0.07 -0.05 0.00 0.02 0.00 0.00 177.57 177.62 3hd6 h ALA 292 N 1.11 1.08 -0.57 1.67 0.00 -1.31 -2.30 119.26 118.94 3hd6 h ALA 292 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hd6 h ALA 292 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hd6 h ALA 292 CO -0.03 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.61 3hd6 n VAL 293 N -3.26 0.96 -0.15 0.00 0.24 -1.16 -3.83 118.33 111.13 3hd6 n VAL 293 Ca -0.01 -0.98 -0.04 0.00 -2.04 0.00 0.00 64.34 61.27 3hd6 n VAL 293 Cb 0.24 0.54 0.02 0.00 -1.47 0.00 0.00 33.84 33.17 3hd6 n VAL 293 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hd6 h GLY 294 N 3.45 0.21 0.53 7.63 0.00 -1.29 0.32 103.07 113.93 3hd6 h GLY 294 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 3hd6 h GLY 294 CO 0.00 -0.20 -0.42 -0.84 0.00 0.00 0.00 176.54 175.08 3hd6 h THR 295 N -0.07 1.54 0.00 4.70 2.02 -1.81 0.63 112.91 119.91 3hd6 h THR 295 Ca 0.22 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.26 3hd6 h THR 295 Cb 0.42 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3hd6 h THR 295 CO -0.52 0.60 -0.30 0.00 0.37 0.00 0.00 175.52 175.67 3hd6 h ALA 296 N 0.21 0.84 -0.79 6.16 0.00 -1.76 -3.38 119.26 120.53 3hd6 h ALA 296 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3hd6 h ALA 296 Cb 1.21 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 3hd6 h ALA 296 CO 0.08 0.00 0.43 0.00 0.00 0.00 0.00 179.25 179.76 3hd6 h ALA 297 N 2.13 1.13 0.00 0.00 0.00 -0.53 0.17 119.26 122.17 3hd6 h ALA 297 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hd6 h ALA 297 Cb 0.94 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hd6 h ALA 297 CO 0.00 0.01 -0.04 1.05 0.00 0.00 0.00 179.25 180.28 3hd6 h GLU 298 N 0.70 0.00 0.00 0.00 4.11 -1.82 -3.27 114.58 114.29 3hd6 h GLU 298 Ca 0.40 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.56 3hd6 h GLU 298 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3hd6 h GLU 298 CO -0.28 0.04 -1.73 -1.33 0.07 0.00 0.00 179.01 175.78 3hd6 n MET 299 N -3.13 0.64 -2.43 1.06 2.81 0.45 -4.74 117.12 111.78 3hd6 n MET 299 Ca 0.02 0.23 -0.43 0.00 -1.81 0.00 0.00 57.70 55.71 3hd6 n MET 299 Cb 0.41 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 3hd6 n MET 299 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3hd6 s MET 300 N -2.68 4.16 0.03 0.03 -1.94 -0.28 -4.91 119.30 113.71 3hd6 s MET 300 Ca -0.05 1.57 0.26 0.00 -1.71 0.00 0.00 55.69 55.76 3hd6 s MET 300 Cb 0.08 -3.79 1.08 0.00 2.01 0.00 0.00 34.83 34.21 3hd6 s MET 300 CO 0.82 -0.79 1.82 1.28 -0.01 0.00 0.00 175.02 178.14 3hd6 n LEU 301 N 6.83 0.09 -3.94 -0.03 4.77 -1.26 -4.78 117.00 118.68 3hd6 n LEU 301 Ca 0.14 0.51 -0.18 0.00 -0.03 0.00 0.00 56.01 56.45 3hd6 n LEU 301 Cb 0.45 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 3hd6 n LEU 301 CO 0.57 -0.08 -0.41 -0.04 -1.33 0.00 0.00 177.39 176.11 3hd6 s MET 302 N -3.02 0.61 0.45 3.23 -1.94 -1.26 -5.05 119.30 112.32 3hd6 s MET 302 Ca 0.12 -0.17 0.24 0.00 -1.71 0.00 0.00 55.69 54.17 3hd6 s MET 302 Cb 0.16 -0.61 1.05 0.00 2.01 0.00 0.00 34.83 37.44 3hd6 s MET 302 CO 0.48 0.05 1.89 -1.00 -0.01 0.00 0.00 175.02 176.43 3hd6 h PRO 303 N 6.46 0.00 -0.20 2.03 0.13 -1.99 -3.20 132.00 135.24 3hd6 h PRO 303 Ca -0.33 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 3hd6 h PRO 303 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3hd6 h PRO 303 CO 0.49 0.22 0.09 0.10 -0.23 0.00 0.00 178.00 178.67 3hd6 h TYR 304 N 0.00 0.26 -0.68 1.56 -0.00 -1.99 -0.57 116.97 115.55 3hd6 h TYR 304 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.68 3hd6 h TYR 304 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.25 3hd6 h TYR 304 CO 0.00 0.20 0.22 0.78 -0.00 0.00 0.00 178.16 179.36 3hd6 h GLY 305 N 0.36 1.10 1.06 0.10 0.00 -1.99 -1.98 103.07 101.73 3hd6 h GLY 305 Ca 0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3hd6 h GLY 305 CO -0.01 0.58 0.17 0.00 0.00 0.00 0.00 176.54 177.28 3hd6 h ALA 306 N 1.25 0.93 -0.82 3.60 0.00 -1.28 -1.50 119.26 121.43 3hd6 h ALA 306 Ca 0.22 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hd6 h ALA 306 Cb 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3hd6 h ALA 306 CO -0.01 0.66 0.54 -0.07 0.00 0.00 0.00 179.25 180.36 3hd6 h LEU 307 N 1.06 0.94 -0.59 0.00 3.38 -1.13 -1.52 115.31 117.45 3hd6 h LEU 307 Ca 0.22 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3hd6 h LEU 307 Cb 0.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hd6 h LEU 307 CO 0.00 0.69 0.22 0.40 0.09 0.00 0.00 178.44 179.83 3hd6 h ILE 308 N 1.11 1.23 -0.28 1.22 2.04 -0.97 0.14 117.51 122.01 3hd6 h ILE 308 Ca 0.30 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 3hd6 h ILE 308 Cb -0.12 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3hd6 h ILE 308 CO -0.06 0.29 0.15 0.40 0.00 0.00 0.00 178.15 178.92 3hd6 h ILE 309 N 0.82 1.13 -0.83 -0.67 2.04 -1.00 -1.11 117.51 117.89 3hd6 h ILE 309 Ca 0.19 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3hd6 h ILE 309 Cb 0.24 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3hd6 h ILE 309 CO -0.01 0.13 0.46 1.23 0.00 0.00 0.00 178.15 179.95 3hd6 h GLY 310 N 0.33 1.24 0.80 5.37 0.00 -1.16 -1.34 103.07 108.31 3hd6 h GLY 310 Ca 0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hd6 h GLY 310 CO -0.01 0.53 -0.24 -2.75 0.00 0.00 0.00 176.54 174.07 3hd6 h PHE 311 N 1.16 -0.63 -0.47 5.60 3.57 -0.27 -2.01 116.94 123.90 3hd6 h PHE 311 Ca 0.29 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.69 3hd6 h PHE 311 Cb 0.03 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3hd6 h PHE 311 CO 0.01 -0.36 -0.12 0.28 -2.23 0.00 0.00 178.31 175.89 3hd6 h VAL 312 N -0.55 1.27 -0.01 1.41 2.07 -1.13 -3.14 116.25 116.17 3hd6 h VAL 312 Ca -0.02 -1.24 -0.16 0.00 0.82 0.00 0.00 66.70 66.10 3hd6 h VAL 312 Cb 0.48 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3hd6 h VAL 312 CO -0.01 0.43 -0.72 0.00 0.02 0.00 0.00 177.57 177.29 3hd6 h GLY 314 N 1.97 1.13 0.70 0.00 0.00 -1.38 0.29 103.07 105.77 3hd6 h GLY 314 Ca -0.01 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hd6 h GLY 314 CO 0.10 0.43 -0.01 -2.22 0.00 0.00 0.00 176.54 174.84 3hd6 h ILE 315 N 1.08 1.20 -0.42 2.60 2.04 -1.41 -2.26 117.51 120.35 3hd6 h ILE 315 Ca 0.29 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3hd6 h ILE 315 Cb -0.10 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3hd6 h ILE 315 CO -0.06 0.18 0.10 0.40 0.00 0.00 0.00 178.15 178.77 3hd6 h ILE 316 N -0.33 1.23 -0.32 -0.67 2.04 -1.02 -1.10 117.51 117.33 3hd6 h ILE 316 Ca -0.00 -0.79 0.01 0.00 1.00 0.00 0.00 64.86 65.08 3hd6 h ILE 316 Cb 0.32 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3hd6 h ILE 316 CO 0.01 0.28 0.19 -1.28 0.00 0.00 0.00 178.15 177.34 3hd6 h SER 317 N 0.54 0.30 -0.32 1.72 0.87 -0.98 -0.18 113.55 115.51 3hd6 h SER 317 Ca 0.13 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3hd6 h SER 317 Cb 0.31 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3hd6 h SER 317 CO 0.00 0.22 0.07 0.74 -0.53 0.00 0.00 176.83 177.33 3hd6 h THR 318 N 0.38 1.23 -0.96 2.23 2.02 -1.26 -1.47 112.91 115.08 3hd6 h THR 318 Ca 0.13 -0.77 0.11 0.00 0.77 0.00 0.00 66.41 66.66 3hd6 h THR 318 Cb 0.00 1.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 3hd6 h THR 318 CO -0.06 0.25 0.61 -0.07 0.37 0.00 0.00 175.52 176.63 3hd6 h LEU 319 N 0.35 0.87 0.06 2.58 3.38 -1.05 -1.96 115.31 119.54 3hd6 h LEU 319 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3hd6 h LEU 319 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hd6 h LEU 319 CO 0.00 0.48 -0.03 1.23 0.09 0.00 0.00 178.44 180.21 3hd6 h GLY 320 N 0.94 -0.09 0.57 0.83 0.00 -0.38 0.12 103.07 105.06 3hd6 h GLY 320 Ca 0.47 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.90 3hd6 h GLY 320 CO -0.23 -0.03 0.29 0.74 0.00 0.00 0.00 176.54 177.30 3hd6 h PHE 321 N -0.10 0.51 -0.03 5.60 -1.00 -0.88 0.14 116.94 121.18 3hd6 h PHE 321 Ca -0.01 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3hd6 h PHE 321 Cb 0.08 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 39.50 3hd6 h PHE 321 CO -0.07 0.21 -0.36 0.28 -1.61 0.00 0.00 178.31 176.76 3hd6 h VAL 322 N 0.52 1.46 0.00 -0.55 2.07 -1.14 -3.39 116.25 115.23 3hd6 h VAL 322 Ca 0.28 -1.87 -0.20 0.00 0.82 0.00 0.00 66.70 65.73 3hd6 h VAL 322 Cb 0.25 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 3hd6 h VAL 322 CO -0.22 0.53 -1.77 -1.22 0.02 0.00 0.00 177.57 174.91 3hd6 n TYR 323 N -4.41 0.00 0.02 1.57 4.01 0.41 -4.62 117.16 114.14 3hd6 n TYR 323 Ca -0.09 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.46 3hd6 n TYR 323 Cb 0.54 -0.52 -0.14 0.00 -0.31 0.00 0.00 39.34 38.91 3hd6 n TYR 323 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hd6 h LEU 324 N 0.00 0.36 -0.22 7.72 5.85 -0.83 -3.06 115.31 125.12 3hd6 h LEU 324 Ca -0.30 -0.94 0.06 0.00 0.84 0.00 0.00 57.88 57.53 3hd6 h LEU 324 Cb 1.49 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3hd6 h LEU 324 CO -0.04 1.27 -0.24 0.74 -0.34 0.00 0.00 178.44 179.83 3hd6 h THR 325 N -0.50 0.40 -0.79 1.05 2.02 -1.05 0.98 112.91 115.01 3hd6 h THR 325 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3hd6 h THR 325 Cb 1.45 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 3hd6 h THR 325 CO 0.11 0.00 0.45 -0.65 0.37 0.00 0.00 175.52 175.80 3hd6 h PRO 326 N -0.26 1.09 -0.00 6.66 0.11 -1.81 -1.19 132.00 136.59 3hd6 h PRO 326 Ca 0.13 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hd6 h PRO 326 Cb 0.46 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3hd6 h PRO 326 CO -0.37 0.79 0.00 0.35 -0.21 0.00 0.00 178.00 178.56 3hd6 h PHE 327 N 1.10 0.01 -0.32 0.65 3.57 -1.30 0.27 116.94 120.92 3hd6 h PHE 327 Ca 0.28 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3hd6 h PHE 327 Cb 0.00 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3hd6 h PHE 327 CO 0.01 0.12 0.01 -0.07 -2.23 0.00 0.00 178.31 176.15 3hd6 h LEU 328 N -0.11 0.45 -0.08 0.59 3.38 -0.57 0.23 115.31 119.20 3hd6 h LEU 328 Ca 0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 3hd6 h LEU 328 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hd6 h LEU 328 CO -0.00 0.51 -0.29 -0.08 0.09 0.00 0.00 178.44 178.67 3hd6 h GLU 329 N 0.47 0.34 0.49 1.13 4.81 -1.17 -0.55 114.58 120.10 3hd6 h GLU 329 Ca 0.10 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.05 3hd6 h GLU 329 Cb 0.29 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.72 3hd6 h GLU 329 CO 0.01 0.88 -0.24 0.77 -0.73 0.00 0.00 179.01 179.70 3hd6 h SER 330 N -0.13 -0.56 0.36 1.04 0.02 -0.65 -2.99 113.55 110.64 3hd6 h SER 330 Ca -0.01 -0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.63 3hd6 h SER 330 Cb 0.92 0.14 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 3hd6 h SER 330 CO 0.06 -0.25 -1.85 0.54 -1.14 0.00 0.00 176.83 174.20 3hd6 n ARG 331 N -5.29 0.65 -0.01 3.45 5.12 0.80 -4.43 116.66 116.94 3hd6 n ARG 331 Ca -0.11 0.13 0.01 0.00 -1.93 0.00 0.00 57.85 55.95 3hd6 n ARG 331 Cb 0.31 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 3hd6 n ARG 331 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hd6 n LEU 332 N -2.83 1.38 -2.56 0.55 4.32 -0.87 -5.02 117.00 111.98 3hd6 n LEU 332 Ca -0.18 -1.17 -0.18 0.00 -0.02 0.00 0.00 56.01 54.46 3hd6 n LEU 332 Cb 0.97 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 42.79 3hd6 n LEU 332 CO 0.44 0.32 0.03 1.41 -1.22 0.00 0.00 177.39 178.37 3hd6 n HIS 333 N 0.08 -1.71 -3.57 -1.77 8.25 -0.33 -4.93 115.22 111.25 3hd6 n HIS 333 Ca 0.02 0.48 -0.41 0.00 -0.26 0.00 0.00 57.72 57.55 3hd6 n HIS 333 Cb 0.10 -3.92 -0.09 0.00 1.12 0.00 0.00 29.99 27.19 3hd6 n HIS 333 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hd6 s ILE 334 N -3.09 4.33 -0.48 1.59 1.01 -0.54 -4.62 121.20 119.41 3hd6 s ILE 334 Ca 0.28 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 3hd6 s ILE 334 Cb -0.12 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.71 3hd6 s ILE 334 CO 0.34 -0.57 0.58 -1.10 0.00 0.00 0.00 174.94 174.19 3hd6 s GLN 335 N 1.44 3.13 -0.56 2.79 -0.21 -1.26 -3.15 119.66 121.83 3hd6 s GLN 335 Ca 0.04 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.62 3hd6 s GLN 335 Cb -0.24 -4.06 0.14 0.00 1.00 0.00 0.00 33.01 29.86 3hd6 s GLN 335 CO 0.02 -1.11 0.32 0.34 -2.12 0.00 0.00 175.29 172.74 3hd6 s ASP 336 N 2.42 4.52 0.16 5.90 2.15 -1.26 -4.71 116.67 125.85 3hd6 s ASP 336 Ca 0.15 -3.09 -0.20 0.00 0.43 0.00 0.00 52.55 49.84 3hd6 s ASP 336 Cb -0.18 -1.68 0.06 0.00 -0.30 0.00 0.00 42.92 40.82 3hd6 s ASP 336 CO 0.13 -0.23 1.64 0.74 -0.17 0.00 0.00 175.17 177.28 3hd6 h THR 337 N 5.33 0.47 -0.50 1.71 2.02 -1.49 -1.60 112.91 118.86 3hd6 h THR 337 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hd6 h THR 337 Cb 0.88 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3hd6 h THR 337 CO 0.70 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.59 3hd6 n GLY 339 N 1.36 -0.48 0.27 0.00 0.00 -0.60 -4.88 105.19 100.85 3hd6 n GLY 339 Ca 0.18 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.53 3hd6 n GLY 339 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3hd6 h ILE 340 N -2.32 0.63 -0.41 -0.61 3.07 -1.85 -0.23 117.51 115.79 3hd6 h ILE 340 Ca -0.58 -0.42 0.07 0.00 1.55 0.00 0.00 64.86 65.48 3hd6 h ILE 340 Cb 1.37 1.26 -0.02 0.00 -0.27 0.00 0.00 36.82 39.16 3hd6 h ILE 340 CO 0.59 0.10 0.28 -1.13 -1.05 0.00 0.00 178.15 176.94 3hd6 h ASN 341 N 0.00 0.21 1.22 2.16 -1.24 -1.90 0.17 115.58 116.19 3hd6 h ASN 341 Ca -0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 3hd6 h ASN 341 Cb 0.25 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3hd6 h ASN 341 CO 0.01 0.13 -0.82 0.78 -1.29 0.00 0.00 177.43 176.25 3hd6 h ASN 342 N 0.24 0.00 0.00 1.15 2.35 -1.37 -0.27 115.58 117.67 3hd6 h ASN 342 Ca 0.18 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.72 3hd6 h ASN 342 Cb 0.43 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3hd6 h ASN 342 CO -0.03 0.40 -1.63 -0.11 -1.65 0.00 0.00 177.43 174.40 3hd6 n LEU 343 N -3.02 1.66 -0.07 1.61 7.94 -1.07 -4.36 117.00 119.69 3hd6 n LEU 343 Ca -0.02 0.28 -0.16 0.00 -1.11 0.00 0.00 56.01 55.00 3hd6 n LEU 343 Cb 0.72 -0.66 -0.14 0.00 0.53 0.00 0.00 43.42 43.88 3hd6 n LEU 343 CO 0.41 0.11 -1.06 1.41 -1.11 0.00 0.00 177.39 177.14 3hd6 n HIS 344 N -4.12 0.49 0.03 1.96 8.25 0.48 -4.21 115.22 118.09 3hd6 n HIS 344 Ca -0.30 0.12 -0.01 0.00 -0.26 0.00 0.00 57.72 57.27 3hd6 n HIS 344 Cb 0.64 -1.07 -0.01 0.00 1.12 0.00 0.00 29.99 30.68 3hd6 n HIS 344 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3hd6 h GLY 345 N 2.29 -0.10 0.78 -1.41 0.00 -1.25 -1.78 103.07 101.61 3hd6 h GLY 345 Ca -0.49 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3hd6 h GLY 345 CO 0.00 -0.03 -0.01 -2.22 0.00 0.00 0.00 176.54 174.28 3hd6 h ILE 346 N -0.20 1.27 0.00 2.60 2.04 -1.31 -1.31 117.51 120.59 3hd6 h ILE 346 Ca -0.01 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 3hd6 h ILE 346 Cb 0.07 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3hd6 h ILE 346 CO 0.02 0.27 -0.15 -0.65 0.00 0.00 0.00 178.15 177.63 3hd6 h PRO 347 N 0.02 0.00 -0.25 2.37 0.11 -1.76 -0.01 132.00 132.48 3hd6 h PRO 347 Ca 0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3hd6 h PRO 347 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3hd6 h PRO 347 CO 0.01 0.15 0.08 0.78 -0.21 0.00 0.00 178.00 178.82 3hd6 h GLY 348 N 0.67 0.41 0.93 -0.55 0.00 -0.94 0.15 103.07 103.74 3hd6 h GLY 348 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3hd6 h GLY 348 CO 0.02 0.22 0.09 -2.22 0.00 0.00 0.00 176.54 174.65 3hd6 h ILE 349 N 0.23 1.23 -0.32 2.60 2.04 -0.86 0.02 117.51 122.44 3hd6 h ILE 349 Ca 0.08 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.21 3hd6 h ILE 349 Cb 0.22 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3hd6 h ILE 349 CO -0.00 0.27 0.03 0.40 0.00 0.00 0.00 178.15 178.85 3hd6 h ILE 350 N 0.48 0.80 -0.72 -0.67 2.04 -0.96 0.01 117.51 118.49 3hd6 h ILE 350 Ca 0.12 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3hd6 h ILE 350 Cb 0.31 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 3hd6 h ILE 350 CO 0.00 0.02 0.40 1.23 0.00 0.00 0.00 178.15 179.81 3hd6 h GLY 351 N 0.13 1.06 0.99 5.37 0.00 -0.41 0.21 103.07 110.44 3hd6 h GLY 351 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3hd6 h GLY 351 CO -0.23 0.15 0.34 -1.33 0.00 0.00 0.00 176.54 175.46 3hd6 h GLY 352 N 0.72 0.87 0.87 4.60 0.00 -0.49 -0.13 103.07 109.51 3hd6 h GLY 352 Ca 0.33 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3hd6 h GLY 352 CO -0.20 0.37 -0.01 -2.22 0.00 0.00 0.00 176.54 174.47 3hd6 h ILE 353 N 0.79 1.26 -0.39 2.60 2.04 -0.28 -2.26 117.51 121.28 3hd6 h ILE 353 Ca 0.21 -0.96 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 3hd6 h ILE 353 Cb 0.02 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3hd6 h ILE 353 CO -0.04 0.31 -0.02 0.58 0.00 0.00 0.00 178.15 178.98 3hd6 h VAL 354 N 0.29 1.22 -0.76 1.67 2.07 -0.53 -1.84 116.25 118.37 3hd6 h VAL 354 Ca 0.08 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3hd6 h VAL 354 Cb 0.45 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3hd6 h VAL 354 CO 0.02 0.31 0.47 1.23 0.02 0.00 0.00 177.57 179.62 3hd6 h GLY 355 N 0.91 1.11 0.80 2.17 0.00 -0.88 0.76 103.07 107.94 3hd6 h GLY 355 Ca 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hd6 h GLY 355 CO 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 176.54 176.79 3hd6 h ALA 356 N 1.34 -0.11 -0.68 3.60 0.00 -0.87 0.12 119.26 122.65 3hd6 h ALA 356 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hd6 h ALA 356 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3hd6 h ALA 356 CO -0.13 -0.46 0.43 0.28 0.00 0.00 0.00 179.25 179.36 3hd6 h VAL 357 N -0.32 1.19 -0.50 0.00 2.07 -1.21 -0.31 116.25 117.17 3hd6 h VAL 357 Ca -0.01 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 3hd6 h VAL 357 Cb 0.27 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3hd6 h VAL 357 CO 0.02 0.19 -0.11 0.74 0.02 0.00 0.00 177.57 178.43 3hd6 h THR 358 N 0.93 1.27 -0.43 2.57 2.02 -0.80 -2.28 112.91 116.20 3hd6 h THR 358 Ca 0.25 -1.24 0.05 0.00 0.77 0.00 0.00 66.41 66.23 3hd6 h THR 358 Cb -0.06 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3hd6 h THR 358 CO -0.05 0.43 0.16 0.00 0.37 0.00 0.00 175.52 176.43 3hd6 h ALA 359 N 0.90 0.51 0.00 6.16 0.00 -0.36 -2.75 119.26 123.73 3hd6 h ALA 359 Ca 0.13 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hd6 h ALA 359 Cb 0.66 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hd6 h ALA 359 CO 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 179.25 178.86 3hd6 h ALA 360 N 1.27 1.35 -0.06 0.00 0.00 -0.81 -3.44 119.26 117.57 3hd6 h ALA 360 Ca 0.20 -0.20 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3hd6 h ALA 360 Cb 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hd6 h ALA 360 CO -0.19 0.27 2.67 0.43 0.00 0.00 0.00 179.25 182.43 3hd6 n SER 361 N -3.85 3.33 0.00 0.00 7.64 -0.88 -4.28 113.62 115.58 3hd6 n SER 361 Ca -0.02 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.09 3hd6 n SER 361 Cb 0.31 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3hd6 n SER 361 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hd6 n ASP 384 N 7.07 0.00 -0.12 6.43 4.64 -1.26 -5.00 116.55 128.31 3hd6 n ASP 384 Ca 0.51 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.90 3hd6 n ASP 384 Cb 0.40 0.00 0.22 0.00 -1.04 0.00 0.00 41.12 40.70 3hd6 n ASP 384 CO 0.00 0.00 0.00 -0.25 -0.82 0.00 0.00 177.20 176.13 3hd6 h TRP 385 N 0.00 0.83 -0.45 -0.67 7.01 -1.98 0.51 115.95 121.20 3hd6 h TRP 385 Ca 0.00 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 3hd6 h TRP 385 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3hd6 h TRP 385 CO 0.00 0.67 0.07 0.00 -2.79 0.00 0.00 178.44 176.39 3hd6 h THR 386 N 0.79 1.21 -0.09 2.65 1.03 -1.99 0.17 112.91 116.69 3hd6 h THR 386 Ca 0.18 -0.80 -0.03 0.00 -0.01 0.00 0.00 66.41 65.76 3hd6 h THR 386 Cb 0.23 0.80 -0.00 0.00 -1.07 0.00 0.00 68.15 68.10 3hd6 h THR 386 CO -0.01 0.29 -0.05 0.00 -0.01 0.00 0.00 175.52 175.74 3hd6 h ALA 387 N 1.42 0.13 -0.43 0.00 0.00 -1.77 -2.13 119.26 116.47 3hd6 h ALA 387 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3hd6 h ALA 387 Cb 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3hd6 h ALA 387 CO 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 179.25 179.28 3hd6 h ARG 388 N -0.18 0.26 -0.46 0.00 3.08 -0.60 -1.53 114.38 114.96 3hd6 h ARG 388 Ca 0.02 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3hd6 h ARG 388 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 3hd6 h ARG 388 CO 0.01 0.17 -0.05 0.00 -1.07 0.00 0.00 179.97 179.04 3hd6 h THR 389 N 0.27 1.25 -0.75 2.04 1.03 -0.69 -1.96 112.91 114.10 3hd6 h THR 389 Ca 0.21 -1.08 0.04 0.00 -0.01 0.00 0.00 66.41 65.57 3hd6 h THR 389 Cb 0.23 0.95 -0.05 0.00 -1.07 0.00 0.00 68.15 68.21 3hd6 h THR 389 CO -0.24 0.38 0.46 -0.61 -0.01 0.00 0.00 175.52 175.50 3hd6 h GLN 390 N 0.73 0.85 -0.73 0.00 5.75 -1.01 -2.01 115.11 118.69 3hd6 h GLN 390 Ca 0.13 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.63 3hd6 h GLN 390 Cb 0.52 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 3hd6 h GLN 390 CO 0.03 0.57 0.44 0.78 -2.65 0.00 0.00 178.83 177.99 3hd6 h GLY 391 N 0.88 1.07 1.38 2.39 0.00 -0.55 -0.85 103.07 107.39 3hd6 h GLY 391 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 3hd6 h GLY 391 CO -0.13 0.23 -0.25 0.50 0.00 0.00 0.00 176.54 176.89 3hd6 h LYS 392 N 0.82 0.71 0.00 4.80 1.79 -1.03 -2.72 116.57 120.94 3hd6 h LYS 392 Ca 0.31 -0.29 -0.15 0.00 -2.18 0.00 0.00 60.65 58.34 3hd6 h LYS 392 Cb 0.12 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3hd6 h LYS 392 CO -0.15 0.89 -0.73 0.74 -1.08 0.00 0.00 179.45 179.11 3hd6 h PHE 393 N 0.61 0.00 -0.55 -1.35 -1.00 -0.94 -0.74 116.94 112.98 3hd6 h PHE 393 Ca 0.08 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.88 3hd6 h PHE 393 Cb 0.74 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.27 3hd6 h PHE 393 CO 0.04 0.73 0.34 1.96 -1.61 0.00 0.00 178.31 179.77 3hd6 h GLN 394 N 0.00 0.66 -0.64 1.51 1.08 -1.04 -0.06 115.11 116.63 3hd6 h GLN 394 Ca -0.01 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 3hd6 h GLN 394 Cb 1.36 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 3hd6 h GLN 394 CO 0.10 0.44 0.14 0.82 -0.95 0.00 0.00 178.83 179.37 3hd6 h ILE 395 N 0.68 1.25 -0.67 2.54 1.08 -1.20 -2.03 117.51 119.17 3hd6 h ILE 395 Ca 0.21 -0.94 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 3hd6 h ILE 395 Cb -0.01 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 3hd6 h ILE 395 CO -0.08 0.36 0.44 1.88 -0.69 0.00 0.00 178.15 180.06 3hd6 h TYR 396 N 0.96 0.83 -1.00 1.37 0.05 -0.65 -1.60 116.97 116.93 3hd6 h TYR 396 Ca 0.20 0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.04 3hd6 h TYR 396 Cb 0.36 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.76 3hd6 h TYR 396 CO 0.03 0.52 0.66 0.78 -1.05 0.00 0.00 178.16 179.09 3hd6 h GLY 397 N 0.90 1.48 0.92 3.88 0.00 -0.65 0.38 103.07 109.98 3hd6 h GLY 397 Ca 0.25 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hd6 h GLY 397 CO -0.06 0.41 0.13 -2.00 0.00 0.00 0.00 176.54 175.02 3hd6 h LEU 398 N 1.25 0.43 -0.62 3.11 5.85 -0.90 -0.59 115.31 123.84 3hd6 h LEU 398 Ca 0.41 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3hd6 h LEU 398 Cb 0.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3hd6 h LEU 398 CO -0.14 0.48 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.14 3hd6 h LEU 399 N 0.36 0.86 -0.54 2.25 3.38 -0.89 -1.69 115.31 119.04 3hd6 h LEU 399 Ca 0.10 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 3hd6 h LEU 399 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3hd6 h LEU 399 CO -0.01 1.06 0.11 0.58 0.09 0.00 0.00 178.44 180.27 3hd6 h VAL 400 N 0.73 1.25 -0.38 1.22 2.07 -0.90 -1.86 116.25 118.37 3hd6 h VAL 400 Ca 0.10 -0.91 0.03 0.00 0.82 0.00 0.00 66.70 66.73 3hd6 h VAL 400 Cb 0.77 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hd6 h VAL 400 CO 0.06 0.33 0.19 0.74 0.02 0.00 0.00 177.57 178.91 3hd6 h THR 401 N 0.77 0.98 -0.82 2.57 2.02 -0.83 -0.88 112.91 116.72 3hd6 h THR 401 Ca 0.17 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 3hd6 h THR 401 Cb 0.37 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3hd6 h THR 401 CO 0.01 0.07 0.35 -0.07 0.37 0.00 0.00 175.52 176.24 3hd6 h LEU 402 N 0.39 1.11 -0.35 2.58 3.38 -1.24 -0.52 115.31 120.65 3hd6 h LEU 402 Ca 0.16 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hd6 h LEU 402 Cb 0.07 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3hd6 h LEU 402 CO -0.11 0.97 0.07 0.00 0.09 0.00 0.00 178.44 179.46 3hd6 h ALA 403 N 1.19 0.47 -0.72 1.53 0.00 -0.99 -1.00 119.26 119.74 3hd6 h ALA 403 Ca 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3hd6 h ALA 403 Cb 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hd6 h ALA 403 CO -0.03 0.15 0.25 0.52 0.00 0.00 0.00 179.25 180.15 3hd6 h MET 404 N 0.42 1.10 -0.43 0.00 2.86 -1.01 -0.82 114.93 117.05 3hd6 h MET 404 Ca 0.11 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 3hd6 h MET 404 Cb 0.33 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3hd6 h MET 404 CO 0.00 0.92 0.20 0.00 1.06 0.00 0.00 176.91 179.10 3hd6 h ALA 405 N 1.12 0.55 0.40 6.32 0.00 -0.92 0.65 119.26 127.39 3hd6 h ALA 405 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hd6 h ALA 405 Cb 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hd6 h ALA 405 CO -0.01 0.13 -0.19 1.25 0.00 0.00 0.00 179.25 180.42 3hd6 h LEU 406 N 0.55 -0.46 -0.13 0.00 5.85 -1.03 0.04 115.31 120.13 3hd6 h LEU 406 Ca 0.15 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hd6 h LEU 406 Cb 0.13 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hd6 h LEU 406 CO -0.02 -0.11 0.07 0.24 -0.34 0.00 0.00 178.44 178.28 3hd6 h MET 407 N -0.85 0.18 -0.83 1.25 2.86 -1.18 -0.97 114.93 115.39 3hd6 h MET 407 Ca -0.06 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3hd6 h MET 407 Cb 0.55 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 3hd6 h MET 407 CO 0.09 0.21 0.53 0.78 1.06 0.00 0.00 176.91 179.58 3hd6 h GLY 408 N 0.11 1.20 1.55 8.32 0.00 -0.95 -2.47 103.07 110.83 3hd6 h GLY 408 Ca 0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 3hd6 h GLY 408 CO -0.01 0.35 -0.18 -1.33 0.00 0.00 0.00 176.54 175.37 3hd6 h GLY 409 N 1.03 0.58 0.76 4.60 0.00 -0.61 -1.05 103.07 108.39 3hd6 h GLY 409 Ca 0.33 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3hd6 h GLY 409 CO -0.11 0.40 0.01 -2.22 0.00 0.00 0.00 176.54 174.61 3hd6 h ILE 410 N 0.48 1.23 0.27 2.60 2.04 -0.91 0.24 117.51 123.47 3hd6 h ILE 410 Ca 0.08 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3hd6 h ILE 410 Cb 0.59 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 3hd6 h ILE 410 CO 0.04 0.20 -0.13 0.40 0.00 0.00 0.00 178.15 178.65 3hd6 h ILE 411 N -0.14 0.74 -0.45 -0.67 2.04 -1.32 -1.47 117.51 116.24 3hd6 h ILE 411 Ca 0.02 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3hd6 h ILE 411 Cb 0.30 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3hd6 h ILE 411 CO 0.00 0.01 -0.07 0.58 0.00 0.00 0.00 178.15 178.67 3hd6 h VAL 412 N -0.38 1.27 -0.47 1.67 2.07 -1.22 -2.55 116.25 116.64 3hd6 h VAL 412 Ca -0.04 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.41 3hd6 h VAL 412 Cb 0.29 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 3hd6 h VAL 412 CO 0.06 0.40 -0.13 1.23 0.02 0.00 0.00 177.57 179.15 3hd6 h GLY 413 N 0.67 0.33 1.45 2.17 0.00 -0.41 -0.27 103.07 107.01 3hd6 h GLY 413 Ca 0.12 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 3hd6 h GLY 413 CO 0.04 -0.18 0.09 1.41 0.00 0.00 0.00 176.54 177.90 3hd6 h LEU 414 N -0.01 0.64 -0.21 3.11 3.38 -1.06 0.10 115.31 121.25 3hd6 h LEU 414 Ca 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hd6 h LEU 414 Cb 0.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hd6 h LEU 414 CO -0.49 0.65 -0.07 0.40 0.09 0.00 0.00 178.44 179.02 3hd6 h ILE 415 N 0.67 1.29 0.00 1.22 2.04 -0.99 -3.13 117.51 118.61 3hd6 h ILE 415 Ca 0.15 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3hd6 h ILE 415 Cb 0.28 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3hd6 h ILE 415 CO 0.00 0.33 -0.20 -0.07 0.00 0.00 0.00 178.15 178.21 3hd6 h LEU 416 N 0.14 0.00 -0.91 1.44 3.38 -0.61 -2.63 115.31 116.13 3hd6 h LEU 416 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hd6 h LEU 416 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hd6 h LEU 416 CO 0.02 0.20 0.00 -0.09 0.09 0.00 0.00 178.44 178.66 3hd6 h ARG 417 N 0.00 0.00 -6.83 1.13 2.43 -0.93 -3.45 114.38 106.73 3hd6 h ARG 417 Ca -0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 3hd6 h ARG 417 Cb 0.49 0.00 0.11 0.00 -0.42 0.00 0.00 29.97 30.15 3hd6 h ARG 417 CO 0.03 0.00 0.64 1.28 -1.51 0.00 0.00 179.97 180.40 3hd6 n LEU 418 N -2.84 4.11 -0.64 3.80 4.77 -0.99 -4.86 117.00 120.34 3hd6 n LEU 418 Ca 0.02 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 3hd6 n LEU 418 Cb 0.34 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 3hd6 n LEU 418 CO 0.27 -0.18 0.29 -0.81 -1.33 0.00 0.00 177.39 175.63 3hd6 n PRO 419 N 0.57 0.90 0.01 3.23 -0.04 -1.26 -4.07 135.00 134.33 3hd6 n PRO 419 Ca 0.03 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 3hd6 n PRO 419 Cb 0.37 -1.34 0.06 0.00 -0.04 0.00 0.00 33.50 32.56 3hd6 n PRO 419 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hd6 n PHE 420 N 0.19 0.14 0.76 0.54 3.72 -1.26 -4.43 117.46 117.12 3hd6 n PHE 420 Ca 0.00 0.04 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 3hd6 n PHE 420 Cb 0.29 -0.30 0.19 0.00 -0.94 0.00 0.00 39.48 38.72 3hd6 n PHE 420 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3hd6 n TRP 421 N -1.74 0.22 -1.13 1.38 5.03 -1.26 -4.95 117.44 114.99 3hd6 n TRP 421 Ca 0.03 -0.11 -0.02 0.00 3.03 0.00 0.00 57.50 60.43 3hd6 n TRP 421 Cb 0.39 0.00 -0.01 0.00 -1.03 0.00 0.00 31.31 30.66 3hd6 n TRP 421 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3hd6 n GLY 422 N 1.40 0.52 3.65 6.99 0.00 -1.26 -4.60 105.19 111.88 3hd6 n GLY 422 Ca 0.17 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 3hd6 n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hd6 n GLN 423 N -2.81 1.19 -1.98 1.61 0.00 -1.26 -4.55 117.38 109.57 3hd6 n GLN 423 Ca -0.02 0.45 -0.29 0.00 0.00 0.00 0.00 57.00 57.14 3hd6 n GLN 423 Cb 0.10 -2.27 0.07 0.00 0.00 0.00 0.00 30.24 28.14 3hd6 n GLN 423 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 3hd6 s PRO 424 N -2.71 2.22 0.86 2.61 0.04 -1.26 -4.79 135.00 131.97 3hd6 s PRO 424 Ca 0.73 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 3hd6 s PRO 424 Cb -0.44 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.19 3hd6 s PRO 424 CO 0.49 -1.38 1.13 -1.54 0.04 0.00 0.00 177.00 175.73 3hd6 s SER 425 N -4.51 4.01 0.56 6.66 1.04 -1.26 -4.93 113.70 115.26 3hd6 s SER 425 Ca 0.61 1.04 0.29 0.00 0.48 0.00 0.00 55.95 58.37 3hd6 s SER 425 Cb -0.11 -1.66 1.66 0.00 0.10 0.00 0.00 66.02 66.01 3hd6 s SER 425 CO 0.49 -2.25 2.17 0.44 0.98 0.00 0.00 173.24 175.07 3hd6 h ASP 426 N -1.28 0.00 -0.07 7.02 5.19 -1.97 -1.36 116.42 123.94 3hd6 h ASP 426 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 3hd6 h ASP 426 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3hd6 h ASP 426 CO 0.62 0.06 0.00 -1.84 -3.12 0.00 0.00 179.24 174.96 3hd6 n GLU 427 N -3.69 2.08 -0.42 3.56 0.28 -1.26 -3.45 120.64 117.73 3hd6 n GLU 427 Ca -0.02 -1.57 0.06 0.00 -0.16 0.00 0.00 57.16 55.47 3hd6 n GLU 427 Cb 0.16 -1.47 0.19 0.00 1.43 0.00 0.00 31.44 31.75 3hd6 n GLU 427 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hd6 n ASN 428 N 0.89 2.18 -4.89 -1.84 3.02 -0.52 -4.50 115.26 109.60 3hd6 n ASN 428 Ca 0.16 -3.54 -0.29 0.00 -0.03 0.00 0.00 54.58 50.89 3hd6 n ASN 428 Cb 0.50 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3hd6 n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hd6 n PHE 430 N -1.94 -1.49 -3.88 0.00 3.72 -0.22 -4.86 117.46 108.79 3hd6 n PHE 430 Ca 0.01 0.29 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 3hd6 n PHE 430 Cb 0.55 -4.15 -0.16 0.00 -0.94 0.00 0.00 39.48 34.78 3hd6 n PHE 430 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3hd6 s GLU 431 N -5.37 1.32 0.41 -1.08 2.56 -1.26 -4.04 118.70 111.24 3hd6 s GLU 431 Ca 0.17 -0.82 0.08 0.00 0.00 0.00 0.00 54.97 54.40 3hd6 s GLU 431 Cb -0.07 -2.44 0.87 0.00 2.00 0.00 0.00 34.13 34.48 3hd6 s GLU 431 CO 0.21 -0.61 2.04 -0.44 -0.56 0.00 0.00 175.26 175.89 3hd6 h ASP 432 N 8.04 0.48 -0.16 -1.70 3.32 -1.00 -2.92 116.42 122.47 3hd6 h ASP 432 Ca -0.17 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.92 3hd6 h ASP 432 Cb 1.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 3hd6 h ASP 432 CO 0.39 0.33 0.27 0.00 -1.72 0.00 0.00 179.24 178.51 3hd6 h ALA 433 N 1.72 1.66 -0.63 3.45 0.00 -1.83 0.78 119.26 124.42 3hd6 h ALA 433 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hd6 h ALA 433 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hd6 h ALA 433 CO -0.05 -0.35 0.30 0.28 0.00 0.00 0.00 179.25 179.43 3hd6 h VAL 434 N 0.00 1.20 -0.00 0.00 2.07 -1.88 -3.33 116.25 114.32 3hd6 h VAL 434 Ca 0.08 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hd6 h VAL 434 Cb 0.61 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hd6 h VAL 434 CO -0.00 0.24 -0.05 -1.22 0.02 0.00 0.00 177.57 176.56 3hd6 n TYR 435 N -4.35 0.00 -4.75 1.57 4.01 0.06 -4.92 117.16 108.78 3hd6 n TYR 435 Ca 0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.55 3hd6 n TYR 435 Cb 0.13 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 3hd6 n TYR 435 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3hd6 s TRP 436 N -0.88 1.69 0.04 -0.72 0.52 -0.00 -5.10 118.94 114.49 3hd6 s TRP 436 Ca 0.01 -0.34 -0.30 0.00 0.02 0.00 0.00 56.10 55.48 3hd6 s TRP 436 Cb 0.01 -1.05 -0.08 0.00 -1.15 0.00 0.00 33.47 31.21 3hd6 s TRP 436 CO 0.05 0.03 1.66 -2.00 0.02 0.00 0.00 176.95 176.70 3hd6 s GLU 437 N -0.80 4.20 0.26 4.98 2.56 -1.26 -4.40 118.70 124.23 3hd6 s GLU 437 Ca 0.07 2.31 -0.19 0.00 0.00 0.00 0.00 54.97 57.15 3hd6 s GLU 437 Cb -0.08 -3.70 -0.09 0.00 2.00 0.00 0.00 34.13 32.27 3hd6 s GLU 437 CO 0.00 -0.76 0.75 -1.64 -0.56 0.00 0.00 175.26 173.06 3hd6 s MET 438 N 2.98 4.23 0.25 4.30 -1.94 -1.26 -4.97 119.30 122.88 3hd6 s MET 438 Ca 0.74 0.88 -0.29 0.00 -1.71 0.00 0.00 55.69 55.31 3hd6 s MET 438 Cb -0.38 -2.76 -0.15 0.00 2.01 0.00 0.00 34.83 33.55 3hd6 s MET 438 CO 0.32 0.32 1.00 -2.30 -0.01 0.00 0.00 175.02 174.35 3hd6 n PRO 439 N 0.44 1.16 0.14 2.03 -0.02 -1.26 -4.80 135.00 132.69 3hd6 n PRO 439 Ca -0.00 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 3hd6 n PRO 439 Cb 0.51 -1.77 0.31 0.00 -0.02 0.00 0.00 33.50 32.54 3hd6 n PRO 439 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hd6 h GLU 440 N 2.24 0.11 0.00 -0.52 5.08 -1.93 -2.34 114.58 117.22 3hd6 h GLU 440 Ca -0.39 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3hd6 h GLU 440 Cb 1.35 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3hd6 h GLU 440 CO 0.63 0.46 -0.05 0.78 -1.00 0.00 0.00 179.01 179.82 3hd6 h GLY 441 N 1.12 0.00 0.00 -3.84 0.00 -2.04 -3.08 103.07 95.22 3hd6 h GLY 441 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.12 3hd6 h GLY 441 CO 0.05 0.00 -1.22 3.43 0.00 0.00 0.00 176.54 178.80 3hd6 h ASN 442 N 0.00 0.00 0.00 0.19 -0.26 -1.82 -3.56 115.58 110.13 3hd6 h ASN 442 Ca -0.00 -0.47 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 3hd6 h ASN 442 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 3hd6 h ASN 442 CO 0.01 1.45 0.00 -1.54 -1.06 0.00 0.00 177.43 176.29