#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bd6 s ILE 13 N 0.00 3.56 0.15 1.69 -4.36 -1.26 -5.06 121.20 115.92 3bd6 s ILE 13 Ca 0.00 -0.97 -0.18 0.00 -0.26 0.00 0.00 60.65 59.24 3bd6 s ILE 13 Cb 0.00 -2.60 0.02 0.00 1.25 0.00 0.00 42.46 41.13 3bd6 s ILE 13 CO 0.00 0.27 1.71 -1.28 0.24 0.00 0.00 174.94 175.88 3bd6 h SER 14 N 4.11 -0.14 0.29 4.36 0.87 -1.96 -2.77 113.55 118.32 3bd6 h SER 14 Ca -0.48 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 3bd6 h SER 14 Cb 1.17 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3bd6 h SER 14 CO 0.54 -0.04 0.00 1.33 -0.53 0.00 0.00 176.83 178.13 3bd6 n VAL 15 N -5.18 1.29 1.00 2.23 0.24 -1.26 -2.02 118.33 114.64 3bd6 n VAL 15 Ca 0.00 0.32 0.10 0.00 -2.04 0.00 0.00 64.34 62.73 3bd6 n VAL 15 Cb 0.16 -1.17 0.32 0.00 -1.47 0.00 0.00 33.84 31.68 3bd6 n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3bd6 n ARG 16 N -1.47 1.88 0.00 7.34 1.74 -1.04 -5.05 116.66 120.06 3bd6 n ARG 16 Ca 0.02 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 3bd6 n ARG 16 Cb 0.10 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3bd6 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bd6 n GLY 17 N 1.19 -2.55 3.83 -0.13 0.00 -0.86 -1.67 105.19 105.00 3bd6 n GLY 17 Ca 0.16 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 3bd6 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bd6 s LEU 18 N 0.00 4.37 -0.76 0.99 2.01 -1.26 -4.67 118.68 119.35 3bd6 s LEU 18 Ca 0.00 1.21 0.03 0.00 0.01 0.00 0.00 54.13 55.38 3bd6 s LEU 18 Cb 0.00 -3.30 0.27 0.00 0.01 0.00 0.00 46.19 43.16 3bd6 s LEU 18 CO 0.00 0.11 0.95 0.00 1.01 0.00 0.00 176.35 178.42 3bd6 n ALA 19 N 0.93 4.38 -1.77 4.21 0.00 -1.26 -3.82 120.51 123.17 3bd6 n ALA 19 Ca -0.05 -4.78 -0.36 0.00 0.00 0.00 0.00 53.44 48.24 3bd6 n ALA 19 Cb 0.51 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3bd6 n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3bd6 s GLY 20 N -2.28 2.74 0.23 0.00 0.00 -1.26 -4.87 107.32 101.88 3bd6 s GLY 20 Ca 0.37 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.98 3bd6 s GLY 20 CO 0.02 1.37 1.80 -2.08 0.00 0.00 0.00 173.10 174.21 3bd6 h VAL 21 N 1.53 0.91 -0.18 1.40 2.07 -1.99 -1.01 116.25 118.98 3bd6 h VAL 21 Ca -0.50 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3bd6 h VAL 21 Cb 1.26 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3bd6 h VAL 21 CO 0.58 0.13 0.06 -0.08 0.02 0.00 0.00 177.57 178.28 3bd6 h GLU 22 N 0.71 0.28 -0.36 1.57 4.57 -2.00 -2.38 114.58 116.97 3bd6 h GLU 22 Ca 0.36 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3bd6 h GLU 22 Cb 0.31 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 3bd6 h GLU 22 CO -0.24 0.38 0.02 -0.91 -1.18 0.00 0.00 179.01 177.08 3bd6 h ASN 23 N 0.12 0.60 -0.69 1.04 4.21 -1.87 -2.22 115.58 116.77 3bd6 h ASN 23 Ca 0.06 -0.29 -0.02 0.00 1.21 0.00 0.00 56.30 57.26 3bd6 h ASN 23 Cb 0.22 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 3bd6 h ASN 23 CO -0.00 0.75 0.37 0.58 -1.29 0.00 0.00 177.43 177.83 3bd6 h VAL 24 N 0.44 1.22 -0.47 2.81 2.07 -1.23 -0.68 116.25 120.42 3bd6 h VAL 24 Ca 0.10 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3bd6 h VAL 24 Cb 0.43 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3bd6 h VAL 24 CO 0.01 0.24 0.22 0.74 0.02 0.00 0.00 177.57 178.81 3bd6 h THR 25 N 0.96 1.19 -0.49 2.57 2.02 -1.38 -1.74 112.91 116.04 3bd6 h THR 25 Ca 0.24 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3bd6 h THR 25 Cb 0.06 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3bd6 h THR 25 CO -0.04 0.21 0.03 -0.08 0.37 0.00 0.00 175.52 176.01 3bd6 h GLU 26 N 0.61 0.85 -0.60 6.66 4.57 -1.14 -2.68 114.58 122.86 3bd6 h GLU 26 Ca 0.16 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3bd6 h GLU 26 Cb 0.14 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3bd6 h GLU 26 CO -0.02 0.88 0.32 -0.07 -1.18 0.00 0.00 179.01 178.94 3bd6 h LEU 27 N 0.72 0.75 -0.67 1.64 3.38 -1.03 -1.99 115.31 118.10 3bd6 h LEU 27 Ca 0.14 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3bd6 h LEU 27 Cb 0.48 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3bd6 h LEU 27 CO 0.02 0.63 0.43 0.11 0.09 0.00 0.00 178.44 179.72 3bd6 h LYS 28 N 0.81 0.83 -0.05 1.13 1.57 -1.20 0.39 116.57 120.05 3bd6 h LYS 28 Ca 0.21 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 3bd6 h LYS 28 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 3bd6 h LYS 28 CO -0.03 0.55 -0.81 1.57 -0.57 0.00 0.00 179.45 180.16 3bd6 h LYS 29 N 0.86 0.42 -0.10 3.15 2.10 -1.36 -1.98 116.57 119.67 3bd6 h LYS 29 Ca 0.26 -0.38 -0.13 0.00 -2.00 0.00 0.00 60.65 58.40 3bd6 h LYS 29 Cb -0.03 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 3bd6 h LYS 29 CO -0.09 1.03 -0.50 -0.91 -2.00 0.00 0.00 179.45 176.99 3bd6 h ASN 30 N 0.27 0.28 -0.24 7.07 2.35 -1.20 -0.22 115.58 123.88 3bd6 h ASN 30 Ca -0.05 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3bd6 h ASN 30 Cb 1.41 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3bd6 h ASN 30 CO 0.14 0.73 0.15 0.15 -1.65 0.00 0.00 177.43 176.95 3bd6 h PHE 31 N 0.20 0.31 -0.27 1.19 3.57 -0.81 -1.87 116.94 119.26 3bd6 h PHE 31 Ca 0.01 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3bd6 h PHE 31 Cb 0.95 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3bd6 h PHE 31 CO 0.02 0.22 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.19 3bd6 h ASN 32 N 0.32 0.50 -0.16 0.41 2.35 -1.12 -1.83 115.58 116.03 3bd6 h ASN 32 Ca 0.09 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3bd6 h ASN 32 Cb -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3bd6 h ASN 32 CO -0.02 0.72 0.08 -0.09 -1.65 0.00 0.00 177.43 176.47 3bd6 h ARG 33 N 0.45 0.23 -0.59 0.81 2.43 -0.93 -2.53 114.38 114.26 3bd6 h ARG 33 Ca 0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 3bd6 h ARG 33 Cb 0.62 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3bd6 h ARG 33 CO 0.04 0.26 0.06 0.45 -1.51 0.00 0.00 179.97 179.28 3bd6 h HIS 34 N 0.14 1.07 -0.80 2.20 3.86 -1.18 0.17 115.15 120.61 3bd6 h HIS 34 Ca 0.06 -0.16 0.07 0.00 -1.16 0.00 0.00 60.37 59.17 3bd6 h HIS 34 Cb 0.11 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 28.22 3bd6 h HIS 34 CO -0.03 0.94 0.48 1.25 0.86 0.00 0.00 177.93 181.42 3bd6 h LEU 35 N 0.89 0.72 0.11 2.43 5.85 -1.31 0.90 115.31 124.91 3bd6 h LEU 35 Ca 0.17 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3bd6 h LEU 35 Cb 0.47 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3bd6 h LEU 35 CO 0.02 0.45 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.78 3bd6 h HIS 36 N 0.85 -0.14 0.19 1.25 2.76 -1.19 -1.44 115.15 117.44 3bd6 h HIS 36 Ca 0.36 -0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 58.22 3bd6 h HIS 36 Cb 0.23 0.05 0.02 0.00 1.55 0.00 0.00 27.41 29.26 3bd6 h HIS 36 CO -0.05 -0.08 -1.36 0.74 -1.30 0.00 0.00 177.93 175.87 3bd6 h PHE 37 N -0.91 0.75 0.07 5.26 0.04 -0.71 -2.31 116.94 119.14 3bd6 h PHE 37 Ca -0.02 -0.55 -0.26 0.00 2.80 0.00 0.00 57.97 59.94 3bd6 h PHE 37 Cb 0.11 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3bd6 h PHE 37 CO 0.00 1.43 -1.39 1.15 -0.60 0.00 0.00 178.31 178.90 3bd6 h THR 38 N 0.12 0.95 0.00 -1.55 2.02 -1.04 -3.38 112.91 110.03 3bd6 h THR 38 Ca -0.20 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.68 3bd6 h THR 38 Cb 2.07 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 71.01 3bd6 h THR 38 CO 0.24 0.59 -0.96 0.18 0.37 0.00 0.00 175.52 175.95 3bd6 n LEU 39 N -4.06 0.63 -3.50 2.58 4.77 -0.02 -4.99 117.00 112.40 3bd6 n LEU 39 Ca -0.28 0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 3bd6 n LEU 39 Cb 0.82 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.86 3bd6 n LEU 39 CO 0.33 0.01 -0.03 0.52 -1.33 0.00 0.00 177.39 176.89 3bd6 n VAL 40 N -2.04 -7.17 -4.15 4.08 0.31 -0.87 -4.99 118.33 103.50 3bd6 n VAL 40 Ca 0.02 -1.09 -0.11 0.00 -0.01 0.00 0.00 64.34 63.16 3bd6 n VAL 40 Cb 0.45 -5.24 -0.09 0.00 -0.91 0.00 0.00 33.84 28.04 3bd6 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3bd6 s LYS 41 N -5.30 1.12 0.38 5.55 -0.14 -0.57 -5.02 119.74 115.76 3bd6 s LYS 41 Ca 0.42 -1.50 0.04 0.00 -1.36 0.00 0.00 55.97 53.56 3bd6 s LYS 41 Cb -0.11 0.28 -0.03 0.00 -1.68 0.00 0.00 37.83 36.29 3bd6 s LYS 41 CO 0.80 -0.36 0.11 0.16 -0.76 0.00 0.00 175.35 175.31 3bd6 s ASP 42 N -3.10 2.54 0.63 2.83 1.47 -1.26 -3.87 116.67 115.90 3bd6 s ASP 42 Ca 0.31 -1.59 0.42 0.00 1.18 0.00 0.00 52.55 52.87 3bd6 s ASP 42 Cb 0.06 0.36 2.23 0.00 -0.34 0.00 0.00 42.92 45.23 3bd6 s ASP 42 CO 0.07 -0.85 2.28 0.03 0.68 0.00 0.00 175.17 177.38 3bd6 h ARG 43 N 1.91 0.00 0.00 2.11 2.47 -1.97 -1.56 114.38 117.34 3bd6 h ARG 43 Ca -0.36 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.21 3bd6 h ARG 43 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.56 3bd6 h ARG 43 CO 0.59 0.00 -0.69 -0.91 0.56 0.00 0.00 179.97 179.52 3bd6 h ASN 44 N 0.00 0.00 0.00 7.04 2.35 -2.05 -3.36 115.58 119.56 3bd6 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bd6 h ASN 44 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3bd6 h ASN 44 CO 0.00 0.69 -0.22 1.33 -1.65 0.00 0.00 177.43 177.59 3bd6 n VAL 45 N -3.33 0.00 -1.97 2.81 0.24 -0.93 -5.04 118.33 110.10 3bd6 n VAL 45 Ca 0.01 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.49 3bd6 n VAL 45 Cb 0.79 0.97 -0.02 0.00 -1.47 0.00 0.00 33.84 34.11 3bd6 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bd6 s ALA 46 N -1.38 3.67 0.43 2.33 0.00 -0.63 -4.96 121.76 121.21 3bd6 s ALA 46 Ca 0.01 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3bd6 s ALA 46 Cb 0.03 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3bd6 s ALA 46 CO 0.15 -0.77 0.63 0.95 0.00 0.00 0.00 175.76 176.71 3bd6 s THR 47 N 0.23 4.05 0.48 0.00 -4.23 -1.26 -4.98 115.64 109.93 3bd6 s THR 47 Ca 0.62 -0.59 0.21 0.00 -1.18 0.00 0.00 61.69 60.75 3bd6 s THR 47 Cb -0.43 -3.48 0.38 0.00 1.34 0.00 0.00 72.50 70.31 3bd6 s THR 47 CO 0.41 -0.31 1.96 -0.65 -0.54 0.00 0.00 174.62 175.49 3bd6 h PRO 48 N 0.50 0.19 -0.63 3.99 0.11 -2.00 -1.25 132.00 132.92 3bd6 h PRO 48 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3bd6 h PRO 48 Cb 1.25 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 3bd6 h PRO 48 CO 0.57 0.13 0.17 -0.09 -0.21 0.00 0.00 178.00 178.57 3bd6 h ARG 49 N 0.20 1.00 -0.80 1.05 2.43 -1.96 -0.93 114.38 115.36 3bd6 h ARG 49 Ca 0.31 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3bd6 h ARG 49 Cb 0.93 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 3bd6 h ARG 49 CO -0.06 0.89 0.49 -0.44 -1.51 0.00 0.00 179.97 179.35 3bd6 h ASP 50 N 0.92 0.79 -0.60 -3.80 3.45 -1.63 -1.73 116.42 113.82 3bd6 h ASP 50 Ca 0.20 0.01 -0.09 0.00 0.43 0.00 0.00 57.03 57.58 3bd6 h ASP 50 Cb 0.33 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3bd6 h ASP 50 CO -0.00 0.52 0.03 1.88 -1.57 0.00 0.00 179.24 180.10 3bd6 h TYR 51 N 0.93 1.12 -0.21 4.55 0.05 -0.94 -0.83 116.97 121.64 3bd6 h TYR 51 Ca 0.34 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.97 3bd6 h TYR 51 Cb 0.10 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.51 3bd6 h TYR 51 CO -0.04 0.99 -0.03 -0.92 -1.05 0.00 0.00 178.16 177.11 3bd6 h TYR 52 N 0.93 -0.07 -0.64 4.88 3.20 -0.90 -1.89 116.97 122.49 3bd6 h TYR 52 Ca 0.17 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3bd6 h TYR 52 Cb 0.52 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3bd6 h TYR 52 CO 0.04 -0.07 0.21 0.74 -1.64 0.00 0.00 178.16 177.44 3bd6 h PHE 53 N 0.03 0.98 -0.69 -3.82 -1.00 -1.04 0.71 116.94 112.11 3bd6 h PHE 53 Ca 0.10 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3bd6 h PHE 53 Cb 0.14 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.38 3bd6 h PHE 53 CO -0.20 0.78 0.41 0.00 -1.61 0.00 0.00 178.31 177.69 3bd6 h ALA 54 N 1.30 0.88 -0.11 2.45 0.00 -0.99 -0.57 119.26 122.21 3bd6 h ALA 54 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3bd6 h ALA 54 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3bd6 h ALA 54 CO -0.01 0.36 0.02 1.25 0.00 0.00 0.00 179.25 180.87 3bd6 h LEU 55 N 0.94 0.18 -0.43 0.00 5.85 -0.81 -2.01 115.31 119.03 3bd6 h LEU 55 Ca 0.25 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3bd6 h LEU 55 Cb -0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3bd6 h LEU 55 CO -0.05 0.39 0.22 0.00 -0.34 0.00 0.00 178.44 178.66 3bd6 h ALA 56 N 0.80 0.53 -0.57 1.25 0.00 -0.69 -0.04 119.26 120.54 3bd6 h ALA 56 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bd6 h ALA 56 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3bd6 h ALA 56 CO 0.00 -0.14 0.26 0.45 0.00 0.00 0.00 179.25 179.82 3bd6 h HIS 57 N 0.44 0.80 -0.33 0.00 3.86 -1.11 0.14 115.15 118.94 3bd6 h HIS 57 Ca 0.18 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.32 3bd6 h HIS 57 Cb 0.08 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 3bd6 h HIS 57 CO -0.10 0.60 0.02 1.15 0.86 0.00 0.00 177.93 180.46 3bd6 h THR 58 N 0.80 1.25 -0.40 2.45 2.02 -0.55 -2.11 112.91 116.38 3bd6 h THR 58 Ca 0.20 -0.91 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 3bd6 h THR 58 Cb 0.11 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 3bd6 h THR 58 CO -0.02 0.30 -0.32 0.58 0.37 0.00 0.00 175.52 176.42 3bd6 h VAL 59 N 0.38 1.27 -0.88 3.16 2.07 -0.82 -3.06 116.25 118.37 3bd6 h VAL 59 Ca 0.10 -1.49 0.11 0.00 0.82 0.00 0.00 66.70 66.23 3bd6 h VAL 59 Cb 0.41 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 3bd6 h VAL 59 CO 0.01 0.50 0.52 -0.09 0.02 0.00 0.00 177.57 178.53 3bd6 h ARG 60 N 0.74 0.81 -0.99 1.57 2.43 -0.64 -1.83 114.38 116.48 3bd6 h ARG 60 Ca 0.07 -0.05 0.16 0.00 -0.81 0.00 0.00 59.98 59.35 3bd6 h ARG 60 Cb 0.91 -0.18 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 3bd6 h ARG 60 CO 0.08 0.54 0.62 -0.44 -1.51 0.00 0.00 179.97 179.26 3bd6 h ASP 61 N 0.84 0.83 0.67 -3.80 3.45 -1.27 -0.71 116.42 116.43 3bd6 h ASP 61 Ca 0.43 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.95 3bd6 h ASP 61 Cb 0.43 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.11 3bd6 h ASP 61 CO -0.26 0.37 -0.07 0.45 -1.57 0.00 0.00 179.24 178.16 3bd6 h HIS 62 N 0.85 0.00 -0.02 4.55 3.86 -1.40 -3.02 115.15 119.97 3bd6 h HIS 62 Ca 0.53 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.48 3bd6 h HIS 62 Cb 0.72 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.21 3bd6 h HIS 62 CO -0.00 0.07 -1.00 -0.07 0.86 0.00 0.00 177.93 177.78 3bd6 h LEU 63 N 0.00 0.90 -0.70 2.43 3.38 -1.11 -3.40 115.31 116.80 3bd6 h LEU 63 Ca -0.00 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 3bd6 h LEU 63 Cb 0.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3bd6 h LEU 63 CO 0.01 1.50 0.32 -0.37 0.09 0.00 0.00 178.44 179.99 3bd6 h VAL 64 N 0.41 1.23 -0.38 1.22 -1.51 -1.44 0.52 116.25 116.30 3bd6 h VAL 64 Ca -0.12 -0.68 0.03 0.00 -1.23 0.00 0.00 66.70 64.71 3bd6 h VAL 64 Cb 1.65 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 3bd6 h VAL 64 CO 0.20 0.28 0.18 1.23 -1.23 0.00 0.00 177.57 178.23 3bd6 h GLY 65 N 0.98 0.52 1.15 5.19 0.00 -1.77 0.11 103.07 109.24 3bd6 h GLY 65 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3bd6 h GLY 65 CO -0.03 0.09 0.01 3.21 0.00 0.00 0.00 176.54 179.82 3bd6 h ARG 66 N 0.38 1.02 -0.19 4.80 3.08 -1.65 -2.00 114.38 119.82 3bd6 h ARG 66 Ca 0.16 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 3bd6 h ARG 66 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3bd6 h ARG 66 CO -0.12 0.99 0.11 2.35 -1.07 0.00 0.00 179.97 182.24 3bd6 h TRP 67 N 0.94 0.25 -0.58 3.04 7.01 -0.41 0.59 115.95 126.80 3bd6 h TRP 67 Ca 0.17 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 3bd6 h TRP 67 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 3bd6 h TRP 67 CO 0.04 0.20 0.22 0.82 -2.79 0.00 0.00 178.44 176.92 3bd6 h ILE 68 N 0.23 1.23 0.00 2.65 2.04 -0.72 -2.66 117.51 120.27 3bd6 h ILE 68 Ca 0.07 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 3bd6 h ILE 68 Cb 0.02 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3bd6 h ILE 68 CO -0.01 0.28 -0.61 0.08 0.00 0.00 0.00 178.15 177.89 3bd6 h ARG 69 N 0.81 0.00 0.10 2.37 0.11 -1.22 -1.66 114.38 114.88 3bd6 h ARG 69 Ca 0.19 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.27 3bd6 h ARG 69 Cb 0.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.31 3bd6 h ARG 69 CO -0.01 0.61 -0.05 1.15 0.10 0.00 0.00 179.97 181.77 3bd6 h THR 70 N 0.00 1.03 0.00 0.08 2.02 -0.81 -0.65 112.91 114.58 3bd6 h THR 70 Ca -0.01 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 3bd6 h THR 70 Cb 1.31 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3bd6 h THR 70 CO 0.08 0.11 -0.31 1.56 0.37 0.00 0.00 175.52 177.33 3bd6 h GLN 71 N -0.34 0.00 -0.22 6.66 1.08 -1.45 -1.36 115.11 119.48 3bd6 h GLN 71 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3bd6 h GLN 71 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3bd6 h GLN 71 CO 0.02 0.31 0.01 0.37 -0.95 0.00 0.00 178.83 178.59 3bd6 h GLN 72 N 0.00 0.38 -0.55 1.46 4.15 -1.25 -2.75 115.11 116.55 3bd6 h GLN 72 Ca -0.00 -0.11 0.05 0.00 0.77 0.00 0.00 58.65 59.36 3bd6 h GLN 72 Cb 0.64 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 3bd6 h GLN 72 CO 0.04 0.55 0.27 1.25 -1.93 0.00 0.00 178.83 179.01 3bd6 h HIS 73 N 0.16 0.50 -0.40 3.99 2.76 -0.36 -1.98 115.15 119.81 3bd6 h HIS 73 Ca 0.06 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 3bd6 h HIS 73 Cb 0.37 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3bd6 h HIS 73 CO 0.03 0.23 0.00 1.88 -1.30 0.00 0.00 177.93 178.77 3bd6 h TYR 74 N 0.52 0.68 -0.28 5.26 0.05 -1.29 0.08 116.97 121.98 3bd6 h TYR 74 Ca 0.25 -0.08 -0.12 0.00 0.05 0.00 0.00 58.73 58.82 3bd6 h TYR 74 Cb 0.17 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 3bd6 h TYR 74 CO -0.11 0.64 -0.33 -0.92 -1.05 0.00 0.00 178.16 176.40 3bd6 h TYR 75 N 0.61 0.70 0.02 4.88 3.20 -1.14 0.01 116.97 125.25 3bd6 h TYR 75 Ca 0.13 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3bd6 h TYR 75 Cb 0.38 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3bd6 h TYR 75 CO 0.02 0.86 -0.19 0.93 -1.64 0.00 0.00 178.16 178.14 3bd6 h GLU 76 N 0.51 0.09 0.00 1.82 4.39 -1.05 -3.34 114.58 117.01 3bd6 h GLU 76 Ca 0.06 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3bd6 h GLU 76 Cb 0.82 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3bd6 h GLU 76 CO 0.07 0.97 -0.15 0.87 -1.16 0.00 0.00 179.01 179.61 3bd6 h LYS 77 N -0.72 0.00 -6.67 2.33 1.57 -1.07 -3.49 116.57 108.52 3bd6 h LYS 77 Ca -0.03 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.21 3bd6 h LYS 77 Cb 1.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.38 3bd6 h LYS 77 CO 0.04 0.15 -0.98 -3.47 -0.57 0.00 0.00 179.45 174.61 3bd6 n ASP 78 N -3.17 -4.38 -4.81 0.86 2.03 -0.01 -4.96 116.55 102.11 3bd6 n ASP 78 Ca 0.02 -1.19 -0.29 0.00 0.52 0.00 0.00 54.79 53.85 3bd6 n ASP 78 Cb 0.52 -2.33 0.12 0.00 -0.72 0.00 0.00 41.12 38.72 3bd6 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3bd6 s PRO 79 N -6.89 1.38 0.18 -0.67 0.04 -1.26 -4.98 135.00 122.81 3bd6 s PRO 79 Ca 0.47 0.31 -0.32 0.00 0.04 0.00 0.00 61.00 61.50 3bd6 s PRO 79 Cb -0.22 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 3bd6 s PRO 79 CO 0.93 -2.04 1.61 0.21 0.04 0.00 0.00 177.00 177.75 3bd6 s LYS 80 N -5.31 4.19 -0.09 4.56 2.20 -1.26 -4.97 119.74 119.06 3bd6 s LYS 80 Ca 0.63 2.43 -0.10 0.00 -0.36 0.00 0.00 55.97 58.57 3bd6 s LYS 80 Cb -0.14 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 3bd6 s LYS 80 CO 0.53 -0.64 0.23 1.03 -0.36 0.00 0.00 175.35 176.13 3bd6 s ARG 81 N 1.07 3.65 -0.22 4.03 3.00 -0.03 -4.55 118.95 125.90 3bd6 s ARG 81 Ca 0.71 0.04 -0.06 0.00 0.00 0.00 0.00 55.73 56.42 3bd6 s ARG 81 Cb -0.45 -3.22 -0.03 0.00 0.00 0.00 0.00 34.95 31.25 3bd6 s ARG 81 CO 0.32 0.71 0.03 0.42 0.00 0.00 0.00 175.30 176.78 3bd6 s ILE 82 N -0.91 4.20 -0.32 1.52 -1.09 -0.24 -1.25 121.20 123.11 3bd6 s ILE 82 Ca 0.17 -0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 3bd6 s ILE 82 Cb -0.13 -2.92 0.05 0.00 -1.58 0.00 0.00 42.46 37.87 3bd6 s ILE 82 CO 0.07 0.40 0.05 -0.31 -1.23 0.00 0.00 174.94 173.92 3bd6 s TYR 83 N 1.16 3.28 -0.50 3.97 2.02 0.74 -0.77 117.35 127.24 3bd6 s TYR 83 Ca 0.04 -1.73 -0.18 0.00 -0.37 0.00 0.00 57.07 54.83 3bd6 s TYR 83 Cb -0.14 -2.25 0.07 0.00 -0.40 0.00 0.00 41.96 39.23 3bd6 s TYR 83 CO 0.02 -0.79 0.55 -0.47 -1.57 0.00 0.00 175.55 173.30 3bd6 s TYR 84 N 1.30 3.11 -0.24 2.71 5.04 -0.11 -0.86 117.35 128.32 3bd6 s TYR 84 Ca -0.03 -0.69 -0.16 0.00 -2.44 0.00 0.00 57.07 53.75 3bd6 s TYR 84 Cb -0.20 -3.44 -0.03 0.00 0.35 0.00 0.00 41.96 38.64 3bd6 s TYR 84 CO 0.00 -0.96 0.43 -0.51 -1.34 0.00 0.00 175.55 173.17 3bd6 s LEU 85 N 2.29 4.09 -0.09 6.97 1.02 -0.31 -1.58 118.68 131.06 3bd6 s LEU 85 Ca 0.11 0.45 -0.12 0.00 0.02 0.00 0.00 54.13 54.59 3bd6 s LEU 85 Cb -0.21 -2.53 0.03 0.00 0.02 0.00 0.00 46.19 43.49 3bd6 s LEU 85 CO 0.10 -0.17 0.30 -0.55 0.02 0.00 0.00 176.35 176.05 3bd6 s SER 86 N 1.39 -0.28 0.00 2.29 0.15 -0.97 -1.78 113.70 114.50 3bd6 s SER 86 Ca 0.18 0.48 0.30 0.00 0.70 0.00 0.00 55.95 57.61 3bd6 s SER 86 Cb -0.15 0.55 1.40 0.00 -1.71 0.00 0.00 66.02 66.11 3bd6 s SER 86 CO 0.09 -0.19 1.96 0.18 1.20 0.00 0.00 173.24 176.48 3bd6 n LEU 87 N 2.51 0.40 -3.84 3.45 4.32 -1.26 -4.11 117.00 118.47 3bd6 n LEU 87 Ca -0.15 -0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.67 3bd6 n LEU 87 Cb 0.57 -0.14 -0.16 0.00 -1.62 0.00 0.00 43.42 42.07 3bd6 n LEU 87 CO 0.17 0.07 -0.38 -1.61 -1.22 0.00 0.00 177.39 174.43 3bd6 s GLU 88 N -2.34 0.33 -0.29 3.23 2.02 -1.26 -4.71 118.70 115.68 3bd6 s GLU 88 Ca 0.34 0.03 -0.02 0.00 0.02 0.00 0.00 54.97 55.34 3bd6 s GLU 88 Cb 0.21 -0.47 0.09 0.00 0.10 0.00 0.00 34.13 34.06 3bd6 s GLU 88 CO 0.44 -0.09 0.10 -0.06 0.02 0.00 0.00 175.26 175.66 3bd6 s PHE 89 N 0.82 1.30 -1.16 1.61 0.40 -0.35 -4.63 117.98 115.98 3bd6 s PHE 89 Ca -0.08 -1.43 -0.15 0.00 -0.60 0.00 0.00 56.93 54.67 3bd6 s PHE 89 Cb -0.12 -1.44 0.16 0.00 0.51 0.00 0.00 43.02 42.13 3bd6 s PHE 89 CO -0.01 -0.83 1.39 -0.47 0.70 0.00 0.00 175.22 175.99 3bd6 s TYR 90 N 1.76 3.40 0.05 0.36 6.14 -0.36 -3.55 117.35 125.15 3bd6 s TYR 90 Ca 0.08 -1.97 0.08 0.00 0.64 0.00 0.00 57.07 55.90 3bd6 s TYR 90 Cb -0.17 -4.33 -0.22 0.00 0.42 0.00 0.00 41.96 37.66 3bd6 s TYR 90 CO -0.26 -1.43 1.02 0.52 0.64 0.00 0.00 175.55 176.04 3bd6 h MET 91 N 7.49 0.02 0.00 4.97 2.86 -1.74 -3.41 114.93 125.13 3bd6 h MET 91 Ca 0.29 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3bd6 h MET 91 Cb 0.90 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.58 3bd6 h MET 91 CO 1.23 0.82 0.00 0.41 1.06 0.00 0.00 176.91 180.43 3bd6 n GLY 92 N 1.45 0.33 3.83 8.32 0.00 -0.96 -4.80 105.19 113.36 3bd6 n GLY 92 Ca -0.08 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3bd6 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bd6 s ARG 93 N 0.00 4.02 -0.04 1.61 0.52 -1.26 -1.54 118.95 122.26 3bd6 s ARG 93 Ca 0.00 1.02 0.09 0.00 -0.52 0.00 0.00 55.73 56.33 3bd6 s ARG 93 Cb 0.00 -2.15 -0.14 0.00 0.52 0.00 0.00 34.95 33.19 3bd6 s ARG 93 CO 0.00 -0.21 0.15 2.41 0.02 0.00 0.00 175.30 177.67 3bd6 n THR 94 N -1.27 0.24 0.40 0.02 -1.04 -1.26 -4.66 114.28 106.71 3bd6 n THR 94 Ca 0.07 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.61 3bd6 n THR 94 Cb 0.54 -0.12 -0.09 0.00 -1.82 0.00 0.00 70.33 68.84 3bd6 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3bd6 h LEU 95 N 0.00 -0.86 -0.75 -4.42 5.85 -1.96 -1.49 115.31 111.68 3bd6 h LEU 95 Ca -0.10 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3bd6 h LEU 95 Cb 0.88 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3bd6 h LEU 95 CO 0.01 -0.58 0.26 -0.61 -0.34 0.00 0.00 178.44 177.18 3bd6 h GLN 96 N -1.07 1.14 -0.90 1.25 4.15 -1.96 -2.03 115.11 115.68 3bd6 h GLN 96 Ca -0.10 -0.23 0.06 0.00 0.77 0.00 0.00 58.65 59.15 3bd6 h GLN 96 Cb 0.79 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 3bd6 h GLN 96 CO 0.17 0.95 0.57 -0.97 -1.93 0.00 0.00 178.83 177.62 3bd6 h ASN 97 N 1.09 0.91 -0.32 -0.69 -0.73 -1.81 0.15 115.58 114.18 3bd6 h ASN 97 Ca 0.24 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.35 3bd6 h ASN 97 Cb 0.27 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 3bd6 h ASN 97 CO -0.01 0.58 -0.08 0.74 -0.37 0.00 0.00 177.43 178.29 3bd6 h THR 98 N 1.04 1.28 -0.26 -3.57 2.02 -0.90 -1.90 112.91 110.63 3bd6 h THR 98 Ca 0.39 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3bd6 h THR 98 Cb 0.15 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3bd6 h THR 98 CO -0.17 0.37 0.16 0.24 0.37 0.00 0.00 175.52 176.49 3bd6 h MET 99 N 0.40 0.32 -0.13 6.66 2.86 -0.93 -1.79 114.93 122.33 3bd6 h MET 99 Ca 0.08 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3bd6 h MET 99 Cb 0.58 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 3bd6 h MET 99 CO 0.03 0.21 -0.19 0.28 1.06 0.00 0.00 176.91 178.31 3bd6 h VAL 100 N 0.33 0.52 0.00 -2.22 2.07 -0.90 0.03 116.25 116.09 3bd6 h VAL 100 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3bd6 h VAL 100 Cb -0.03 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3bd6 h VAL 100 CO -0.03 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.34 3bd6 h ASN 101 N -0.24 0.00 -0.12 0.57 4.21 -1.17 -2.70 115.58 116.13 3bd6 h ASN 101 Ca 0.10 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.61 3bd6 h ASN 101 Cb 0.38 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.58 3bd6 h ASN 101 CO -0.27 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.05 3bd6 n LEU 102 N -2.79 2.78 -3.39 1.61 4.32 -0.69 -0.83 117.00 118.02 3bd6 n LEU 102 Ca 0.01 -1.16 -0.21 0.00 -0.02 0.00 0.00 56.01 54.63 3bd6 n LEU 102 Cb 0.28 -0.07 0.08 0.00 -1.62 0.00 0.00 43.42 42.09 3bd6 n LEU 102 CO 0.25 0.53 0.21 0.00 -1.22 0.00 0.00 177.39 177.15 3bd6 n ALA 103 N 1.12 -1.37 0.32 -1.18 0.00 -0.56 -4.94 120.51 113.90 3bd6 n ALA 103 Ca 0.13 0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.90 3bd6 n ALA 103 Cb 0.50 -4.63 0.00 0.00 0.00 0.00 0.00 19.45 15.32 3bd6 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bd6 n LEU 104 N -4.58 1.09 0.02 0.00 4.32 -0.11 -4.49 117.00 113.25 3bd6 n LEU 104 Ca -0.05 -0.80 -0.12 0.00 -0.02 0.00 0.00 56.01 55.02 3bd6 n LEU 104 Cb 0.58 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.31 3bd6 n LEU 104 CO 0.60 0.23 0.83 -0.08 -1.22 0.00 0.00 177.39 177.75 3bd6 h GLU 105 N 0.88 0.02 -0.51 3.23 4.81 -1.64 -0.64 114.58 120.73 3bd6 h GLU 105 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3bd6 h GLU 105 Cb 0.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3bd6 h GLU 105 CO 0.00 0.12 0.09 -0.91 -0.73 0.00 0.00 179.01 177.58 3bd6 h ASN 106 N -0.08 0.80 -0.40 1.04 2.35 -1.59 -0.06 115.58 117.65 3bd6 h ASN 106 Ca 0.01 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3bd6 h ASN 106 Cb 0.10 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3bd6 h ASN 106 CO -0.00 0.86 0.25 0.00 -1.65 0.00 0.00 177.43 176.89 3bd6 h ALA 107 N 0.98 0.51 -0.41 -0.83 0.00 -1.63 0.18 119.26 118.05 3bd6 h ALA 107 Ca 0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3bd6 h ALA 107 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3bd6 h ALA 107 CO 0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 179.25 179.10 3bd6 h ASP 109 N 0.67 0.36 0.02 0.00 3.58 -0.61 -0.88 116.42 119.56 3bd6 h ASP 109 Ca 0.11 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 3bd6 h ASP 109 Cb 0.62 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.58 3bd6 h ASP 109 CO 0.04 0.30 -0.01 -0.08 -2.88 0.00 0.00 179.24 176.61 3bd6 h GLU 110 N 0.38 -0.03 -0.56 0.28 4.57 -0.48 -1.67 114.58 117.07 3bd6 h GLU 110 Ca 0.11 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.36 3bd6 h GLU 110 Cb 0.01 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.55 3bd6 h GLU 110 CO -0.02 0.23 0.22 0.00 -1.18 0.00 0.00 179.01 178.27 3bd6 h ALA 111 N 0.68 0.70 -0.18 2.92 0.00 -0.75 -0.88 119.26 121.75 3bd6 h ALA 111 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3bd6 h ALA 111 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3bd6 h ALA 111 CO 0.00 -0.17 -0.53 1.79 0.00 0.00 0.00 179.25 180.34 3bd6 h THR 112 N 0.42 1.32 -0.73 0.00 1.35 -1.18 -2.50 112.91 111.59 3bd6 h THR 112 Ca 0.27 -1.78 0.01 0.00 -0.55 0.00 0.00 66.41 64.36 3bd6 h THR 112 Cb 0.28 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 3bd6 h THR 112 CO -0.25 0.55 0.48 0.22 -0.25 0.00 0.00 175.52 176.26 3bd6 h TYR 113 N 0.40 0.90 0.00 4.73 3.20 -0.74 0.14 116.97 125.60 3bd6 h TYR 113 Ca 0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3bd6 h TYR 113 Cb 1.07 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3bd6 h TYR 113 CO 0.04 0.55 -0.16 1.96 -1.64 0.00 0.00 178.16 178.92 3bd6 h GLN 114 N 0.96 0.00 -0.01 1.82 4.20 -1.06 -1.73 115.11 119.30 3bd6 h GLN 114 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3bd6 h GLN 114 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3bd6 h GLN 114 CO -0.07 0.16 -0.09 1.28 -0.67 0.00 0.00 178.83 179.43 3bd6 n LEU 115 N -3.31 0.63 0.00 1.46 4.32 -0.90 -4.94 117.00 114.25 3bd6 n LEU 115 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 3bd6 n LEU 115 Cb 0.39 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3bd6 n LEU 115 CO 0.32 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 3bd6 n GLY 116 N 1.23 0.74 3.33 -0.72 0.00 -0.65 -5.07 105.19 104.05 3bd6 n GLY 116 Ca 0.16 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 3bd6 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bd6 s LEU 117 N 0.00 2.32 -0.36 0.99 1.43 0.43 -5.00 118.68 118.49 3bd6 s LEU 117 Ca 0.00 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 3bd6 s LEU 117 Cb 0.00 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3bd6 s LEU 117 CO 0.00 0.10 0.31 -0.62 0.23 0.00 0.00 176.35 176.37 3bd6 s ASP 118 N -2.06 6.12 0.29 2.29 3.68 -1.26 -3.34 116.67 122.38 3bd6 s ASP 118 Ca 0.11 -0.45 -0.02 0.00 2.13 0.00 0.00 52.55 54.32 3bd6 s ASP 118 Cb -0.10 -2.17 0.41 0.00 -1.45 0.00 0.00 42.92 39.62 3bd6 s ASP 118 CO 0.05 -0.33 1.89 -0.03 0.13 0.00 0.00 175.17 176.89 3bd6 h MET 119 N 8.52 0.97 -0.16 4.34 1.85 -1.91 -2.43 114.93 126.11 3bd6 h MET 119 Ca -0.30 -0.12 -0.05 0.00 -0.61 0.00 0.00 59.70 58.62 3bd6 h MET 119 Cb 1.14 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.98 3bd6 h MET 119 CO 0.68 0.74 -0.11 0.93 -0.40 0.00 0.00 176.91 178.76 3bd6 h GLU 120 N 0.97 0.26 -0.40 0.39 5.08 -2.00 -0.92 114.58 117.96 3bd6 h GLU 120 Ca 0.24 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3bd6 h GLU 120 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3bd6 h GLU 120 CO -0.03 0.38 -0.26 1.49 -1.00 0.00 0.00 179.01 179.59 3bd6 h GLU 121 N 0.25 0.88 -0.43 2.33 4.81 -1.87 -3.06 114.58 117.49 3bd6 h GLU 121 Ca 0.05 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 58.78 3bd6 h GLU 121 Cb 0.35 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3bd6 h GLU 121 CO 0.02 1.06 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.22 3bd6 h LEU 122 N 0.70 0.72 -1.50 1.64 4.07 -1.14 -3.09 115.31 116.71 3bd6 h LEU 122 Ca 0.08 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3bd6 h LEU 122 Cb 0.83 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 3bd6 h LEU 122 CO 0.07 0.84 0.22 -0.33 -1.08 0.00 0.00 178.44 178.16 3bd6 h GLU 123 N 0.68 0.55 0.00 1.13 5.08 -1.09 -2.52 114.58 118.41 3bd6 h GLU 123 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3bd6 h GLU 123 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3bd6 h GLU 123 CO 0.03 0.41 0.00 0.93 -1.00 0.00 0.00 179.01 179.38 3bd6 h GLU 124 N 0.56 0.00 -0.01 2.33 4.39 -1.45 -3.02 114.58 117.39 3bd6 h GLU 124 Ca 0.15 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.69 3bd6 h GLU 124 Cb 0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3bd6 h GLU 124 CO -0.02 0.00 -0.73 0.82 -1.16 0.00 0.00 179.01 177.92 3bd6 h ILE 125 N 0.00 1.50 -3.16 3.13 2.04 -1.55 -3.45 117.51 116.02 3bd6 h ILE 125 Ca 0.00 -2.44 -0.53 0.00 1.00 0.00 0.00 64.86 62.89 3bd6 h ILE 125 Cb 0.42 2.32 0.07 0.00 -0.74 0.00 0.00 36.82 38.89 3bd6 h ILE 125 CO 0.00 0.70 0.90 -0.70 0.00 0.00 0.00 178.15 179.05 3bd6 s GLU 126 N -3.39 4.14 0.28 2.37 2.12 -1.14 -4.98 118.70 118.10 3bd6 s GLU 126 Ca -0.01 2.54 -0.29 0.00 0.36 0.00 0.00 54.97 57.57 3bd6 s GLU 126 Cb 0.12 -3.05 -0.09 0.00 0.26 0.00 0.00 34.13 31.36 3bd6 s GLU 126 CO 0.79 -0.63 1.04 -1.21 -0.54 0.00 0.00 175.26 174.70 3bd6 s GLU 127 N -0.01 4.65 0.35 4.30 0.41 -1.26 -4.97 118.70 122.17 3bd6 s GLU 127 Ca 0.66 1.65 -0.29 0.00 -0.41 0.00 0.00 54.97 56.58 3bd6 s GLU 127 Cb -0.47 -3.13 -0.11 0.00 -1.78 0.00 0.00 34.13 28.64 3bd6 s GLU 127 CO 0.43 0.27 1.48 -0.51 -0.49 0.00 0.00 175.26 176.44 3bd6 s ASP 128 N -1.08 6.42 -0.94 -0.19 1.11 -1.26 -4.57 116.67 116.16 3bd6 s ASP 128 Ca 0.45 2.97 -0.22 0.00 0.18 0.00 0.00 52.55 55.93 3bd6 s ASP 128 Cb -0.28 -2.66 0.08 0.00 1.07 0.00 0.00 42.92 41.13 3bd6 s ASP 128 CO 0.36 -0.83 1.28 0.00 1.18 0.00 0.00 175.17 177.16 3bd6 s ALA 129 N -0.89 2.99 -0.85 5.23 0.00 -0.59 -4.90 121.76 122.75 3bd6 s ALA 129 Ca 0.54 -2.35 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 3bd6 s ALA 129 Cb -0.46 -4.28 0.20 0.00 0.00 0.00 0.00 23.12 18.58 3bd6 s ALA 129 CO 0.58 -3.29 2.32 0.41 0.00 0.00 0.00 175.76 175.79 3bd6 n GLY 130 N 6.13 5.18 1.82 0.00 0.00 -1.26 -2.16 105.19 114.90 3bd6 n GLY 130 Ca 0.24 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 3bd6 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bd6 n LEU 131 N 0.52 6.12 -3.91 0.99 4.77 -1.23 -0.94 117.00 123.32 3bd6 n LEU 131 Ca 0.53 -3.11 -0.08 0.00 -0.03 0.00 0.00 56.01 53.32 3bd6 n LEU 131 Cb 0.35 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 3bd6 n LEU 131 CO 0.49 1.14 0.37 -0.83 -1.33 0.00 0.00 177.39 177.23 3bd6 s GLY 132 N 0.25 0.13 -0.23 -0.72 0.00 -1.26 -1.21 107.32 104.28 3bd6 s GLY 132 Ca 0.28 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 3bd6 s GLY 132 CO 0.00 -0.27 -0.09 0.70 0.00 0.00 0.00 173.10 173.44 3bd6 n ASN 133 N -0.44 2.01 0.00 1.64 3.02 -1.26 -4.48 115.26 115.75 3bd6 n ASN 133 Ca -0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3bd6 n ASN 133 Cb 0.60 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3bd6 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bd6 n GLY 134 N 2.12 0.52 0.12 7.41 0.00 -1.26 -4.91 105.19 109.19 3bd6 n GLY 134 Ca -0.43 0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3bd6 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bd6 h GLY 135 N 0.00 0.32 0.98 -0.02 0.00 -1.99 -1.00 103.07 101.37 3bd6 h GLY 135 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3bd6 h GLY 135 CO 0.00 0.06 0.28 -2.00 0.00 0.00 0.00 176.54 174.88 3bd6 h LEU 136 N 0.24 0.68 -0.43 3.11 6.46 -1.99 0.28 115.31 123.67 3bd6 h LEU 136 Ca 0.10 -0.11 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 3bd6 h LEU 136 Cb 0.04 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 3bd6 h LEU 136 CO -0.08 0.59 -0.54 1.23 -0.62 0.00 0.00 178.44 179.02 3bd6 h GLY 137 N 0.72 0.77 1.77 3.75 0.00 -1.78 -2.95 103.07 105.34 3bd6 h GLY 137 Ca 0.19 -0.89 -0.16 0.00 0.00 0.00 0.00 47.33 46.47 3bd6 h GLY 137 CO -0.03 0.80 -0.67 -0.09 0.00 0.00 0.00 176.54 176.55 3bd6 h ARG 138 N 0.54 0.23 -0.77 4.80 9.65 -1.04 -0.89 114.38 126.89 3bd6 h ARG 138 Ca 0.01 -0.18 0.02 0.00 -1.10 0.00 0.00 59.98 58.74 3bd6 h ARG 138 Cb 1.11 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.68 3bd6 h ARG 138 CO 0.11 0.82 0.50 1.25 2.80 0.00 0.00 179.97 185.45 3bd6 h LEU 139 N 0.16 0.84 -0.96 3.80 5.85 -0.92 -0.99 115.31 123.09 3bd6 h LEU 139 Ca -0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3bd6 h LEU 139 Cb 1.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3bd6 h LEU 139 CO 0.10 0.59 0.62 0.00 -0.34 0.00 0.00 178.44 179.41 3bd6 h ALA 140 N 1.31 1.22 -0.25 1.25 0.00 -1.40 0.28 119.26 121.67 3bd6 h ALA 140 Ca 0.30 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3bd6 h ALA 140 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3bd6 h ALA 140 CO -0.09 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 3bd6 h ALA 141 N 1.34 0.34 -0.71 0.00 0.00 -1.24 -1.70 119.26 117.30 3bd6 h ALA 141 Ca 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3bd6 h ALA 141 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3bd6 h ALA 141 CO -0.07 0.09 0.47 0.00 0.00 0.00 0.00 179.25 179.73 3bd6 h PHE 143 N 0.95 1.00 -0.63 0.00 -1.00 -0.77 -1.44 116.94 115.04 3bd6 h PHE 143 Ca 0.26 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 61.05 3bd6 h PHE 143 Cb -0.09 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.11 3bd6 h PHE 143 CO -0.03 0.59 0.34 -0.07 -1.61 0.00 0.00 178.31 177.53 3bd6 h LEU 144 N 1.05 0.80 -0.18 1.54 3.38 -1.08 0.00 115.31 120.81 3bd6 h LEU 144 Ca 0.32 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3bd6 h LEU 144 Cb -0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3bd6 h LEU 144 CO -0.10 0.68 0.11 -0.78 0.09 0.00 0.00 178.44 178.44 3bd6 h ASP 145 N 0.87 0.19 -0.42 -0.43 3.58 -1.20 -2.49 116.42 116.52 3bd6 h ASP 145 Ca 0.22 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.55 3bd6 h ASP 145 Cb 0.06 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3bd6 h ASP 145 CO -0.03 0.14 -0.18 0.28 -2.88 0.00 0.00 179.24 176.57 3bd6 h SER 146 N 0.23 0.92 -0.86 2.28 0.02 -1.05 -1.57 113.55 113.53 3bd6 h SER 146 Ca 0.07 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3bd6 h SER 146 Cb -0.01 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 3bd6 h SER 146 CO -0.03 1.08 0.44 0.24 -1.14 0.00 0.00 176.83 177.42 3bd6 h MET 147 N 0.80 1.22 -0.43 3.45 2.86 -0.90 0.49 114.93 122.41 3bd6 h MET 147 Ca 0.11 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 3bd6 h MET 147 Cb 0.72 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3bd6 h MET 147 CO 0.06 0.91 -0.23 0.00 1.06 0.00 0.00 176.91 178.71 3bd6 h ALA 148 N 1.24 0.61 -0.15 6.32 0.00 -1.37 -0.50 119.26 125.40 3bd6 h ALA 148 Ca 0.30 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3bd6 h ALA 148 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3bd6 h ALA 148 CO -0.04 0.60 -0.14 1.15 0.00 0.00 0.00 179.25 180.81 3bd6 h THR 149 N 0.74 1.18 -0.55 0.00 2.02 -0.93 -2.53 112.91 112.85 3bd6 h THR 149 Ca 0.09 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3bd6 h THR 149 Cb 0.80 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3bd6 h THR 149 CO 0.07 0.25 0.00 0.18 0.37 0.00 0.00 175.52 176.39 3bd6 n LEU 150 N -4.26 3.14 -1.62 2.58 4.77 0.13 -4.73 117.00 117.01 3bd6 n LEU 150 Ca -0.01 -1.57 -0.14 0.00 -0.03 0.00 0.00 56.01 54.26 3bd6 n LEU 150 Cb 0.28 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3bd6 n LEU 150 CO 0.38 0.72 -0.18 0.61 -1.33 0.00 0.00 177.39 177.59 3bd6 n GLY 151 N 1.29 -0.20 3.81 -0.72 0.00 -0.95 -0.36 105.19 108.06 3bd6 n GLY 151 Ca 0.19 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3bd6 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bd6 s LEU 152 N -4.09 4.42 -1.30 0.99 1.43 -0.24 -4.71 118.68 115.19 3bd6 s LEU 152 Ca 0.00 1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 3bd6 s LEU 152 Cb 0.00 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.96 3bd6 s LEU 152 CO 0.00 0.13 1.83 0.00 0.23 0.00 0.00 176.35 178.54 3bd6 n ALA 153 N 1.11 3.58 -2.42 4.21 0.00 -1.26 -4.62 120.51 121.11 3bd6 n ALA 153 Ca -0.05 -3.74 -0.31 0.00 0.00 0.00 0.00 53.44 49.33 3bd6 n ALA 153 Cb 0.51 -3.59 -0.13 0.00 0.00 0.00 0.00 19.45 16.24 3bd6 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bd6 s ALA 154 N 4.93 2.48 -0.06 0.00 0.00 -1.26 -1.08 121.76 126.77 3bd6 s ALA 154 Ca 0.55 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3bd6 s ALA 154 Cb 0.05 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3bd6 s ALA 154 CO 0.07 0.56 -0.11 0.71 0.00 0.00 0.00 175.76 176.99 3bd6 s TYR 155 N -0.86 1.33 -0.11 0.00 2.02 0.05 -4.03 117.35 115.74 3bd6 s TYR 155 Ca 0.13 -0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 3bd6 s TYR 155 Cb -0.10 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 3bd6 s TYR 155 CO 0.04 -0.27 0.56 0.20 -1.57 0.00 0.00 175.55 174.50 3bd6 s GLY 156 N 0.74 2.41 -0.10 0.71 0.00 -0.98 -0.93 107.32 109.17 3bd6 s GLY 156 Ca -0.13 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.51 3bd6 s GLY 156 CO 0.03 0.95 -0.22 -0.19 0.00 0.00 0.00 173.10 173.67 3bd6 s TYR 157 N 0.84 2.43 0.00 1.90 2.02 -0.62 -0.18 117.35 123.75 3bd6 s TYR 157 Ca 0.29 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 3bd6 s TYR 157 Cb -0.16 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3bd6 s TYR 157 CO 0.12 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 3bd6 n GLY 158 N 3.68 3.48 3.47 0.71 0.00 -0.96 -2.29 105.19 113.28 3bd6 n GLY 158 Ca -0.20 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3bd6 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bd6 s ILE 159 N -2.30 3.28 -1.02 -0.61 1.01 -1.26 -0.99 121.20 119.31 3bd6 s ILE 159 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 59.83 3bd6 s ILE 159 Cb 0.00 -2.34 0.10 0.00 0.01 0.00 0.00 42.46 40.23 3bd6 s ILE 159 CO 0.00 0.57 1.32 -0.60 0.00 0.00 0.00 174.94 176.23 3bd6 s ARG 160 N -0.36 3.67 0.26 2.79 3.52 -0.18 -4.75 118.95 123.89 3bd6 s ARG 160 Ca 0.04 -1.61 -0.30 0.00 -0.13 0.00 0.00 55.73 53.74 3bd6 s ARG 160 Cb -0.12 -5.14 -0.10 0.00 -1.56 0.00 0.00 34.95 28.03 3bd6 s ARG 160 CO 0.02 -1.97 1.31 0.71 -0.81 0.00 0.00 175.30 174.56 3bd6 s TYR 161 N 3.56 3.17 0.21 5.12 2.02 -1.26 -4.77 117.35 125.41 3bd6 s TYR 161 Ca 0.40 1.29 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 3bd6 s TYR 161 Cb -0.02 -3.64 0.16 0.00 -0.40 0.00 0.00 41.96 38.05 3bd6 s TYR 161 CO -0.08 -1.90 1.51 1.49 -1.57 0.00 0.00 175.55 175.01 3bd6 h GLU 162 N 4.53 0.41 -4.76 -0.62 4.81 -0.91 -3.42 114.58 114.61 3bd6 h GLU 162 Ca -0.46 -0.28 -0.63 0.00 -0.13 0.00 0.00 59.36 57.86 3bd6 h GLU 162 Cb 1.22 0.04 -0.36 0.00 0.63 0.00 0.00 28.75 30.28 3bd6 h GLU 162 CO 0.73 0.89 -0.84 -0.06 -0.73 0.00 0.00 179.01 179.00 3bd6 s PHE 163 N -3.83 2.42 0.00 0.92 0.40 0.24 -4.24 117.98 113.89 3bd6 s PHE 163 Ca -0.06 -1.44 0.00 0.00 -0.60 0.00 0.00 56.93 54.83 3bd6 s PHE 163 Cb 0.11 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.94 3bd6 s PHE 163 CO 0.82 -0.73 0.00 0.41 0.70 0.00 0.00 175.22 176.43 3bd6 n GLY 164 N 4.70 0.25 3.73 4.36 0.00 -1.22 -1.68 105.19 115.32 3bd6 n GLY 164 Ca -0.18 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 3bd6 n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3bd6 n ILE 165 N 0.00 0.54 -1.61 -0.61 0.13 -0.11 -4.55 119.36 113.15 3bd6 n ILE 165 Ca 0.00 -0.13 -0.39 0.00 -1.10 0.00 0.00 62.75 61.13 3bd6 n ILE 165 Cb 0.00 -1.92 0.04 0.00 -0.84 0.00 0.00 39.64 36.92 3bd6 n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 3bd6 n PHE 166 N 2.96 0.91 -2.50 9.51 1.16 -1.26 -4.54 117.46 123.69 3bd6 n PHE 166 Ca 0.12 0.47 -0.42 0.00 -1.87 0.00 0.00 57.45 55.76 3bd6 n PHE 166 Cb 0.35 -2.17 -0.03 0.00 -1.61 0.00 0.00 39.48 36.02 3bd6 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3bd6 s ASN 167 N -1.04 7.18 -0.24 5.98 0.01 -0.24 -4.89 114.94 121.70 3bd6 s ASN 167 Ca 0.70 1.94 -0.16 0.00 -0.71 0.00 0.00 52.86 54.64 3bd6 s ASN 167 Cb -0.46 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.58 3bd6 s ASN 167 CO 0.51 -0.38 0.39 -1.58 -1.51 0.00 0.00 177.10 174.54 3bd6 s GLN 168 N 0.82 4.09 0.01 -0.60 0.74 -1.26 -1.37 119.66 122.09 3bd6 s GLN 168 Ca 0.56 0.13 0.04 0.00 0.05 0.00 0.00 55.36 56.14 3bd6 s GLN 168 Cb -0.27 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3bd6 s GLN 168 CO 0.30 -0.17 -0.08 0.15 -0.55 0.00 0.00 175.29 174.94 3bd6 s LYS 169 N 1.74 2.51 -0.25 1.67 -0.14 -0.19 -3.87 119.74 121.20 3bd6 s LYS 169 Ca 0.17 -0.75 -0.07 0.00 -1.36 0.00 0.00 55.97 53.97 3bd6 s LYS 169 Cb -0.15 -2.47 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3bd6 s LYS 169 CO 0.09 0.60 0.06 0.42 -0.76 0.00 0.00 175.35 175.75 3bd6 s ILE 170 N -0.99 4.16 -0.18 2.17 -1.09 -1.26 0.38 121.20 124.38 3bd6 s ILE 170 Ca 0.17 -0.28 -0.00 0.00 -2.23 0.00 0.00 60.65 58.31 3bd6 s ILE 170 Cb -0.11 -2.97 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3bd6 s ILE 170 CO 0.07 0.31 -0.07 0.00 -1.23 0.00 0.00 174.94 174.03 3bd6 n GLY 172 N 4.80 0.04 1.90 0.00 0.00 -1.26 -1.66 105.19 109.00 3bd6 n GLY 172 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3bd6 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bd6 n GLY 173 N -0.98 1.77 3.89 -0.02 0.00 -1.26 -5.04 105.19 103.54 3bd6 n GLY 173 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3bd6 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bd6 s TRP 174 N -2.71 3.56 0.11 1.61 0.52 -0.67 -3.76 118.94 117.61 3bd6 s TRP 174 Ca 0.00 0.54 -0.31 0.00 0.02 0.00 0.00 56.10 56.36 3bd6 s TRP 174 Cb 0.00 -1.97 -0.07 0.00 -1.15 0.00 0.00 33.47 30.27 3bd6 s TRP 174 CO 0.00 0.58 1.31 -1.14 0.02 0.00 0.00 176.95 177.72 3bd6 s GLN 175 N -1.96 4.38 0.04 4.98 0.74 -1.26 -0.53 119.66 126.05 3bd6 s GLN 175 Ca 0.30 1.97 0.09 0.00 0.05 0.00 0.00 55.36 57.76 3bd6 s GLN 175 Cb -0.13 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 3bd6 s GLN 175 CO 0.18 -0.33 -0.24 -1.64 -0.55 0.00 0.00 175.29 172.71 3bd6 s MET 176 N 0.84 1.89 -0.10 1.67 -1.94 0.16 -4.91 119.30 116.90 3bd6 s MET 176 Ca 0.61 -1.07 -0.03 0.00 -1.71 0.00 0.00 55.69 53.49 3bd6 s MET 176 Cb -0.34 -2.05 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 3bd6 s MET 176 CO 0.31 0.52 0.02 -1.21 -0.01 0.00 0.00 175.02 174.65 3bd6 s GLU 177 N -1.29 3.18 0.08 2.03 8.01 -1.26 -1.02 118.70 128.42 3bd6 s GLU 177 Ca 0.13 -0.38 0.04 0.00 0.01 0.00 0.00 54.97 54.77 3bd6 s GLU 177 Cb -0.10 -2.88 -0.03 0.00 -4.31 0.00 0.00 34.13 26.80 3bd6 s GLU 177 CO 0.03 0.63 -0.12 -1.83 0.01 0.00 0.00 175.26 173.98 3bd6 s GLU 178 N -0.67 0.79 0.20 1.61 -1.05 -0.47 -4.98 118.70 114.13 3bd6 s GLU 178 Ca 0.11 -1.00 -0.33 0.00 -0.15 0.00 0.00 54.97 53.61 3bd6 s GLU 178 Cb -0.12 -0.66 -0.13 0.00 -0.44 0.00 0.00 34.13 32.78 3bd6 s GLU 178 CO 0.02 0.13 1.61 0.00 0.95 0.00 0.00 175.26 177.97 3bd6 n ALA 179 N 1.06 1.94 -2.91 -0.84 0.00 -1.26 -1.08 120.51 117.41 3bd6 n ALA 179 Ca -0.20 0.42 -0.44 0.00 0.00 0.00 0.00 53.44 53.23 3bd6 n ALA 179 Cb 0.55 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 3bd6 n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bd6 s ASP 180 N 0.88 6.92 -1.48 0.00 3.68 -1.26 -4.67 116.67 120.73 3bd6 s ASP 180 Ca 0.75 -2.65 -0.11 0.00 2.13 0.00 0.00 52.55 52.67 3bd6 s ASP 180 Cb -0.60 -2.42 0.02 0.00 -1.45 0.00 0.00 42.92 38.47 3bd6 s ASP 180 CO 0.39 -0.88 2.46 -0.67 0.13 0.00 0.00 175.17 176.59 3bd6 n ASP 181 N 6.16 6.21 0.18 -0.34 2.03 -1.26 -3.44 116.55 126.10 3bd6 n ASP 181 Ca 0.34 -2.81 0.14 0.00 0.52 0.00 0.00 54.79 52.97 3bd6 n ASP 181 Cb 0.45 -1.57 0.57 0.00 -0.72 0.00 0.00 41.12 39.85 3bd6 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3bd6 h TRP 182 N 5.46 0.00 -0.11 -0.67 5.08 -1.91 -2.72 115.95 121.07 3bd6 h TRP 182 Ca 0.67 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.64 3bd6 h TRP 182 Cb 0.48 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.64 3bd6 h TRP 182 CO 1.60 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.04 3bd6 n LEU 183 N -2.54 2.72 -0.24 0.11 4.77 -1.26 -4.60 117.00 115.96 3bd6 n LEU 183 Ca 0.01 -0.99 -0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3bd6 n LEU 183 Cb 0.25 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3bd6 n LEU 183 CO 0.22 0.49 0.70 -0.09 -1.33 0.00 0.00 177.39 177.38 3bd6 h ARG 184 N 4.05 -0.04 -0.02 3.23 2.43 -1.87 -0.25 114.38 121.92 3bd6 h ARG 184 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bd6 h ARG 184 Cb 0.87 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 3bd6 h ARG 184 CO 0.00 -0.02 -0.03 0.66 -1.51 0.00 0.00 179.97 179.07 3bd6 n TYR 185 N -5.47 0.00 0.00 2.20 4.01 -1.26 -5.04 117.16 111.60 3bd6 n TYR 185 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3bd6 n TYR 185 Cb 0.37 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 3bd6 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bd6 n GLY 186 N 1.21 1.65 2.99 2.72 0.00 -0.11 -4.98 105.19 108.67 3bd6 n GLY 186 Ca 0.18 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 3bd6 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bd6 s ASN 187 N -0.48 4.44 0.45 1.61 2.47 -1.26 -4.88 114.94 117.29 3bd6 s ASN 187 Ca 0.00 -1.72 0.30 0.00 0.42 0.00 0.00 52.86 51.86 3bd6 s ASN 187 Cb 0.00 -1.45 1.22 0.00 -1.45 0.00 0.00 41.25 39.57 3bd6 s ASN 187 CO 0.00 -0.31 1.89 1.55 -3.72 0.00 0.00 177.10 176.51 3bd6 h PRO 188 N 7.77 0.00 0.01 0.43 0.13 -1.99 -3.22 132.00 135.13 3bd6 h PRO 188 Ca -0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.80 3bd6 h PRO 188 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3bd6 h PRO 188 CO 0.48 0.00 -1.02 -1.49 -0.23 0.00 0.00 178.00 175.74 3bd6 h TRP 189 N 0.00 0.05 -3.85 1.56 4.06 -1.95 -3.47 115.95 112.35 3bd6 h TRP 189 Ca 0.00 -0.04 -0.49 0.00 2.06 0.00 0.00 58.89 60.43 3bd6 h TRP 189 Cb 0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3bd6 h TRP 189 CO 0.00 1.03 0.19 -1.83 -3.56 0.00 0.00 178.44 174.27 3bd6 s GLU 190 N -2.71 3.87 -0.18 0.49 -1.05 -1.22 -4.34 118.70 113.57 3bd6 s GLU 190 Ca 0.00 0.65 -0.00 0.00 -0.15 0.00 0.00 54.97 55.47 3bd6 s GLU 190 Cb 0.10 -2.32 0.04 0.00 -0.44 0.00 0.00 34.13 31.51 3bd6 s GLU 190 CO 0.83 -0.07 -0.07 0.21 0.95 0.00 0.00 175.26 177.11 3bd6 s LYS 191 N -3.76 1.61 0.32 -4.83 2.47 0.60 -4.95 119.74 111.21 3bd6 s LYS 191 Ca 0.54 -0.61 -0.29 0.00 -1.56 0.00 0.00 55.97 54.04 3bd6 s LYS 191 Cb -0.10 -2.13 -0.11 0.00 -1.46 0.00 0.00 37.83 34.03 3bd6 s LYS 191 CO 0.29 -0.43 1.56 0.00 0.16 0.00 0.00 175.35 176.92 3bd6 s ALA 192 N 1.56 3.68 -0.53 3.13 0.00 -1.26 -1.06 121.76 127.28 3bd6 s ALA 192 Ca 0.00 1.57 0.07 0.00 0.00 0.00 0.00 51.96 53.60 3bd6 s ALA 192 Cb -0.16 -3.63 0.32 0.00 0.00 0.00 0.00 23.12 19.65 3bd6 s ALA 192 CO -0.08 -1.01 0.84 0.54 0.00 0.00 0.00 175.76 176.05 3bd6 n ARG 193 N 1.56 2.44 0.10 0.00 5.12 0.26 -4.91 116.66 121.23 3bd6 n ARG 193 Ca 0.06 -4.38 0.07 0.00 -1.93 0.00 0.00 57.85 51.66 3bd6 n ARG 193 Cb 0.38 -2.05 0.38 0.00 -1.16 0.00 0.00 32.46 30.01 3bd6 n ARG 193 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3bd6 n PRO 194 N 0.17 0.09 0.19 5.56 -0.04 -1.26 -0.99 135.00 138.72 3bd6 n PRO 194 Ca 0.29 0.58 0.14 0.00 -0.04 0.00 0.00 63.50 64.47 3bd6 n PRO 194 Cb 0.46 -1.79 0.44 0.00 -0.04 0.00 0.00 33.50 32.57 3bd6 n PRO 194 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3bd6 h GLU 195 N 0.00 0.00 -0.49 0.54 9.09 -1.94 -3.07 114.58 118.71 3bd6 h GLU 195 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 3bd6 h GLU 195 Cb 0.01 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.03 3bd6 h GLU 195 CO 0.00 0.00 0.10 1.19 0.05 0.00 0.00 179.01 180.35 3bd6 n PHE 196 N -2.72 1.62 -1.87 2.06 3.72 -0.16 -5.01 117.46 115.11 3bd6 n PHE 196 Ca 0.03 -1.21 -0.41 0.00 -0.05 0.00 0.00 57.45 55.81 3bd6 n PHE 196 Cb 0.38 -0.52 -0.01 0.00 -0.94 0.00 0.00 39.48 38.38 3bd6 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3bd6 s THR 197 N -3.01 2.25 0.01 4.37 2.01 -1.16 -4.65 115.64 115.46 3bd6 s THR 197 Ca 0.48 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.74 3bd6 s THR 197 Cb 0.40 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 3bd6 s THR 197 CO 0.09 0.04 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.18 3bd6 s LEU 198 N -0.93 2.09 0.24 4.42 1.02 -0.50 -4.94 118.68 120.06 3bd6 s LEU 198 Ca 0.59 -0.30 -0.27 0.00 0.02 0.00 0.00 54.13 54.17 3bd6 s LEU 198 Cb -0.45 -0.52 -0.09 0.00 0.02 0.00 0.00 46.19 45.14 3bd6 s LEU 198 CO 0.51 0.07 0.89 -2.16 0.02 0.00 0.00 176.35 175.67 3bd6 s PRO 199 N -0.63 4.69 -0.05 1.29 0.04 -1.26 0.06 135.00 139.15 3bd6 s PRO 199 Ca 0.02 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.46 3bd6 s PRO 199 Cb -0.06 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 3bd6 s PRO 199 CO 0.00 0.48 -0.24 0.08 0.04 0.00 0.00 177.00 177.36 3bd6 s VAL 200 N -1.28 1.94 -0.07 -0.36 1.01 0.12 -4.85 120.40 116.91 3bd6 s VAL 200 Ca 0.42 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 3bd6 s VAL 200 Cb -0.23 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3bd6 s VAL 200 CO 0.28 0.54 0.05 -1.00 0.00 0.00 0.00 175.10 174.98 3bd6 s HIS 201 N -0.23 3.28 0.09 5.22 3.76 -1.26 -0.62 115.29 125.53 3bd6 s HIS 201 Ca -0.01 0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 3bd6 s HIS 201 Cb -0.12 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 3bd6 s HIS 201 CO 0.02 0.55 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.33 3bd6 s PHE 202 N -0.99 0.88 0.00 1.40 0.40 -0.03 -4.97 117.98 114.67 3bd6 s PHE 202 Ca 0.16 -0.88 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 3bd6 s PHE 202 Cb -0.12 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 42.90 3bd6 s PHE 202 CO 0.06 -0.14 0.00 0.66 0.70 0.00 0.00 175.22 176.50 3bd6 n TYR 203 N 0.08 0.00 -4.18 0.36 4.01 0.20 -0.70 117.16 116.93 3bd6 n TYR 203 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3bd6 n TYR 203 Cb 0.60 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 3bd6 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bd6 n GLY 204 N 0.00 -0.83 3.45 2.72 0.00 -1.24 -4.59 105.19 104.71 3bd6 n GLY 204 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3bd6 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bd6 s ARG 205 N 0.00 1.28 -0.21 1.61 1.70 -0.32 -4.87 118.95 118.15 3bd6 s ARG 205 Ca 0.00 -0.86 -0.11 0.00 -0.47 0.00 0.00 55.73 54.30 3bd6 s ARG 205 Cb 0.00 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 3bd6 s ARG 205 CO 0.00 -0.53 0.17 0.08 -1.08 0.00 0.00 175.30 173.94 3bd6 s VAL 206 N -3.87 5.38 -0.09 4.99 1.01 -1.26 -1.20 120.40 125.36 3bd6 s VAL 206 Ca 0.08 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.32 3bd6 s VAL 206 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3bd6 s VAL 206 CO -0.05 0.40 -0.12 -0.70 0.00 0.00 0.00 175.10 174.63 3bd6 s GLU 207 N 0.63 2.90 -0.18 2.72 2.12 0.13 -4.95 118.70 122.06 3bd6 s GLU 207 Ca 0.09 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 3bd6 s GLU 207 Cb -0.12 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3bd6 s GLU 207 CO 0.01 0.47 0.01 -1.01 -0.54 0.00 0.00 175.26 174.20 3bd6 s HIS 208 N -0.31 3.09 0.16 5.30 3.76 -1.26 0.41 115.29 126.44 3bd6 s HIS 208 Ca 0.03 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3bd6 s HIS 208 Cb -0.13 -2.05 -0.00 0.00 1.11 0.00 0.00 32.58 31.51 3bd6 s HIS 208 CO 0.03 -0.07 0.01 0.25 -0.85 0.00 0.00 174.74 174.10 3bd6 n THR 209 N 3.85 0.00 -0.08 1.30 -2.24 -0.48 -5.01 114.28 111.61 3bd6 n THR 209 Ca -0.17 -0.76 -0.04 0.00 -2.27 0.00 0.00 64.05 60.81 3bd6 n THR 209 Cb 0.52 0.17 0.18 0.00 -2.10 0.00 0.00 70.33 69.10 3bd6 n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3bd6 h SER 210 N 0.41 0.70 -1.25 3.42 0.02 -2.02 -3.15 113.55 111.67 3bd6 h SER 210 Ca -0.13 -0.17 -0.55 0.00 -0.84 0.00 0.00 61.79 60.10 3bd6 h SER 210 Cb 0.40 -0.19 -0.20 0.00 0.14 0.00 0.00 62.40 62.56 3bd6 h SER 210 CO 0.21 0.78 0.53 0.00 -1.14 0.00 0.00 176.83 177.21 3bd6 n GLN 211 N -4.22 2.47 0.00 3.45 3.00 -1.26 -5.02 117.38 115.79 3bd6 n GLN 211 Ca 0.02 -2.58 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 3bd6 n GLN 211 Cb 0.30 -2.17 0.00 0.00 0.00 0.00 0.00 30.24 28.37 3bd6 n GLN 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3bd6 n GLY 212 N 0.58 -0.59 3.83 1.08 0.00 -1.19 -4.89 105.19 104.01 3bd6 n GLY 212 Ca 0.50 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3bd6 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd6 s ALA 213 N -1.44 3.17 -0.04 4.61 0.00 -1.26 -1.38 121.76 125.41 3bd6 s ALA 213 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.23 3bd6 s ALA 213 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3bd6 s ALA 213 CO 0.00 0.22 -0.06 0.15 0.00 0.00 0.00 175.76 176.06 3bd6 s LYS 214 N -3.05 0.92 -0.40 0.00 1.02 0.17 -4.89 119.74 113.49 3bd6 s LYS 214 Ca 0.58 -0.19 -0.17 0.00 0.02 0.00 0.00 55.97 56.21 3bd6 s LYS 214 Cb -0.10 -0.87 0.01 0.00 -0.52 0.00 0.00 37.83 36.36 3bd6 s LYS 214 CO 0.15 -0.01 0.43 -0.46 -0.92 0.00 0.00 175.35 174.55 3bd6 s TRP 215 N 0.63 3.17 0.33 3.18 -0.00 -1.26 0.18 118.94 125.18 3bd6 s TRP 215 Ca -0.09 -0.27 0.05 0.00 -0.00 0.00 0.00 56.10 55.78 3bd6 s TRP 215 Cb -0.12 -2.87 -0.07 0.00 -0.00 0.00 0.00 33.47 30.41 3bd6 s TRP 215 CO 0.01 -0.65 0.03 0.14 -0.00 0.00 0.00 176.95 176.48 3bd6 s VAL 216 N 2.15 1.37 -1.60 5.86 -7.23 -0.34 -4.81 120.40 115.80 3bd6 s VAL 216 Ca 0.13 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.24 3bd6 s VAL 216 Cb -0.17 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.00 3bd6 s VAL 216 CO 0.13 -0.05 0.52 0.47 -0.31 0.00 0.00 175.10 175.87 3bd6 n ASP 217 N -0.71 -6.14 -4.89 4.85 8.00 -1.26 -1.17 116.55 115.24 3bd6 n ASP 217 Ca -0.03 -0.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.93 3bd6 n ASP 217 Cb 0.66 -4.98 -0.00 0.00 -0.02 0.00 0.00 41.12 36.78 3bd6 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3bd6 s THR 218 N -3.17 4.80 -0.04 -3.53 -4.23 -1.26 -3.59 115.64 104.63 3bd6 s THR 218 Ca 0.26 0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 3bd6 s THR 218 Cb -0.11 -3.84 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 3bd6 s THR 218 CO 0.32 -0.91 0.45 -1.10 -0.54 0.00 0.00 174.62 172.84 3bd6 s GLN 219 N -4.75 4.12 -0.18 3.99 -0.21 0.12 -4.91 119.66 117.85 3bd6 s GLN 219 Ca 0.51 0.45 -0.07 0.00 0.02 0.00 0.00 55.36 56.27 3bd6 s GLN 219 Cb -0.11 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.56 3bd6 s GLN 219 CO 0.46 0.48 0.05 0.08 -2.12 0.00 0.00 175.29 174.23 3bd6 s VAL 220 N -0.41 4.68 -0.07 1.09 1.01 -1.26 -0.85 120.40 124.59 3bd6 s VAL 220 Ca 0.25 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3bd6 s VAL 220 Cb -0.16 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 3bd6 s VAL 220 CO 0.13 0.47 -0.24 -0.69 0.00 0.00 0.00 175.10 174.77 3bd6 s VAL 221 N 0.34 2.17 0.28 2.92 1.01 0.20 -4.53 120.40 122.78 3bd6 s VAL 221 Ca 0.02 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.76 3bd6 s VAL 221 Cb -0.13 -1.80 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 3bd6 s VAL 221 CO 0.00 0.57 0.82 -0.76 0.00 0.00 0.00 175.10 175.73 3bd6 s LEU 222 N -0.12 4.31 -0.28 3.92 1.43 0.10 0.12 118.68 128.16 3bd6 s LEU 222 Ca -0.05 1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 3bd6 s LEU 222 Cb -0.14 -3.82 0.04 0.00 0.03 0.00 0.00 46.19 42.29 3bd6 s LEU 222 CO 0.04 -0.04 -0.01 0.00 0.23 0.00 0.00 176.35 176.57 3bd6 s ALA 223 N -1.62 2.81 -0.23 4.21 0.00 0.11 -0.82 121.76 126.22 3bd6 s ALA 223 Ca 0.47 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3bd6 s ALA 223 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3bd6 s ALA 223 CO 0.21 -1.08 0.10 1.41 0.00 0.00 0.00 175.76 176.40 3bd6 s MET 224 N 1.31 3.85 0.18 0.00 1.75 0.38 -1.41 119.30 125.36 3bd6 s MET 224 Ca -0.02 -0.39 -0.22 0.00 -1.25 0.00 0.00 55.69 53.81 3bd6 s MET 224 Cb -0.18 -3.36 -0.08 0.00 2.84 0.00 0.00 34.83 34.04 3bd6 s MET 224 CO -0.02 -0.01 0.73 -1.25 -0.65 0.00 0.00 175.02 173.82 3bd6 s PRO 225 N 1.17 4.39 -0.15 4.11 0.04 -1.26 -0.50 135.00 142.79 3bd6 s PRO 225 Ca 0.05 0.99 0.02 0.00 0.04 0.00 0.00 61.00 62.10 3bd6 s PRO 225 Cb -0.14 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.31 3bd6 s PRO 225 CO 0.04 0.50 -0.21 0.71 0.04 0.00 0.00 177.00 178.08 3bd6 s TYR 226 N -1.30 2.70 -0.17 0.56 1.51 -0.02 -0.57 117.35 120.06 3bd6 s TYR 226 Ca 0.38 -1.44 -0.09 0.00 -1.01 0.00 0.00 57.07 54.91 3bd6 s TYR 226 Cb -0.20 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.76 3bd6 s TYR 226 CO 0.23 -0.67 0.14 -0.51 -1.11 0.00 0.00 175.55 173.62 3bd6 s ASP 227 N 0.96 6.27 -0.08 2.29 -0.00 -0.23 -1.22 116.67 124.67 3bd6 s ASP 227 Ca -0.03 0.31 0.05 0.00 -0.00 0.00 0.00 52.55 52.88 3bd6 s ASP 227 Cb -0.15 -2.08 -0.01 0.00 -0.00 0.00 0.00 42.92 40.68 3bd6 s ASP 227 CO -0.05 0.26 -0.24 -0.89 -0.00 0.00 0.00 175.17 174.24 3bd6 s THR 228 N -0.10 2.04 0.35 -1.27 2.01 -0.06 -0.29 115.64 118.31 3bd6 s THR 228 Ca 0.10 -1.03 -0.27 0.00 0.31 0.00 0.00 61.69 60.80 3bd6 s THR 228 Cb -0.11 -1.74 -0.09 0.00 0.01 0.00 0.00 72.50 70.56 3bd6 s THR 228 CO 0.00 0.56 1.11 -2.16 -0.69 0.00 0.00 174.62 173.44 3bd6 s PRO 229 N 0.08 4.33 -0.38 4.92 0.04 -1.26 -0.95 135.00 141.78 3bd6 s PRO 229 Ca -0.11 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.71 3bd6 s PRO 229 Cb -0.16 -2.85 0.11 0.00 0.04 0.00 0.00 34.50 31.64 3bd6 s PRO 229 CO 0.06 -0.05 0.11 0.08 0.04 0.00 0.00 177.00 177.24 3bd6 s VAL 230 N -1.38 2.08 0.17 -0.36 1.01 0.85 -4.87 120.40 117.91 3bd6 s VAL 230 Ca 0.52 -2.41 -0.30 0.00 0.00 0.00 0.00 61.98 59.79 3bd6 s VAL 230 Cb -0.29 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.50 3bd6 s VAL 230 CO 0.37 -0.67 1.02 -2.16 0.00 0.00 0.00 175.10 173.66 3bd6 s PRO 231 N 0.74 4.68 0.73 2.72 0.04 -1.26 -0.94 135.00 141.71 3bd6 s PRO 231 Ca 0.12 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 3bd6 s PRO 231 Cb -0.20 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.05 3bd6 s PRO 231 CO -0.08 0.22 1.08 0.20 0.04 0.00 0.00 177.00 178.45 3bd6 s GLY 232 N -0.32 1.64 -0.58 0.56 0.00 0.16 -4.76 107.32 104.03 3bd6 s GLY 232 Ca 0.47 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.79 3bd6 s GLY 232 CO 0.33 0.24 1.57 -0.47 0.00 0.00 0.00 173.10 174.76 3bd6 s TYR 233 N -3.16 2.05 -1.16 1.90 6.14 -1.26 -4.12 117.35 117.75 3bd6 s TYR 233 Ca 0.59 0.51 -0.05 0.00 0.64 0.00 0.00 57.07 58.76 3bd6 s TYR 233 Cb -0.13 -4.31 0.04 0.00 0.42 0.00 0.00 41.96 37.98 3bd6 s TYR 233 CO 0.54 -2.18 0.29 0.54 0.64 0.00 0.00 175.55 175.38 3bd6 n ARG 234 N 8.89 -3.02 -0.02 4.97 3.00 -0.01 -4.82 116.66 125.64 3bd6 n ARG 234 Ca 0.15 0.53 0.02 0.00 -0.01 0.00 0.00 57.85 58.53 3bd6 n ARG 234 Cb 0.50 -5.19 0.02 0.00 0.00 0.00 0.00 32.46 27.79 3bd6 n ARG 234 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3bd6 n ASN 235 N -2.09 1.64 -0.27 0.55 2.04 -1.26 -4.95 115.26 110.92 3bd6 n ASN 235 Ca -0.07 -1.46 -0.04 0.00 -0.44 0.00 0.00 54.58 52.57 3bd6 n ASN 235 Cb 0.57 -0.02 -0.02 0.00 -2.53 0.00 0.00 39.78 37.78 3bd6 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3bd6 n ASN 236 N 0.03 -5.27 -4.73 0.53 3.02 -1.26 -1.02 115.26 106.55 3bd6 n ASN 236 Ca 0.02 0.09 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 3bd6 n ASN 236 Cb 0.16 -3.09 -0.05 0.00 -0.61 0.00 0.00 39.78 36.20 3bd6 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bd6 s VAL 237 N -1.52 4.88 -0.22 2.41 1.01 -1.26 -4.78 120.40 120.92 3bd6 s VAL 237 Ca 0.00 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.50 3bd6 s VAL 237 Cb 0.00 -4.07 0.07 0.00 0.00 0.00 0.00 36.38 32.37 3bd6 s VAL 237 CO 0.00 0.32 0.03 -0.69 0.00 0.00 0.00 175.10 174.75 3bd6 s VAL 238 N 0.31 0.82 0.83 2.92 1.01 -1.26 -0.66 120.40 124.36 3bd6 s VAL 238 Ca 0.38 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3bd6 s VAL 238 Cb -0.19 -1.33 0.17 0.00 0.00 0.00 0.00 36.38 35.03 3bd6 s VAL 238 CO 0.21 -0.27 1.13 0.20 0.00 0.00 0.00 175.10 176.37 3bd6 s ASN 239 N 1.71 3.75 -0.06 3.32 0.01 -0.11 -4.66 114.94 118.89 3bd6 s ASN 239 Ca -0.00 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 51.90 3bd6 s ASN 239 Cb -0.18 0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 3bd6 s ASN 239 CO -0.11 -2.28 -0.21 -0.89 -1.51 0.00 0.00 177.10 172.11 3bd6 s THR 240 N -3.43 1.74 -0.28 1.60 2.01 -1.26 -0.11 115.64 115.92 3bd6 s THR 240 Ca 0.71 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 3bd6 s THR 240 Cb -0.03 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 3bd6 s THR 240 CO 0.48 0.49 0.12 -0.32 -0.69 0.00 0.00 174.62 174.70 3bd6 s MET 241 N 0.12 3.48 -0.28 4.92 1.75 -0.13 -2.32 119.30 126.86 3bd6 s MET 241 Ca -0.09 -0.61 -0.06 0.00 -1.25 0.00 0.00 55.69 53.68 3bd6 s MET 241 Cb -0.14 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.07 3bd6 s MET 241 CO 0.04 -0.31 0.06 0.50 -0.65 0.00 0.00 175.02 174.67 3bd6 s ARG 242 N 1.62 3.20 -0.12 4.11 3.52 0.74 -0.88 118.95 131.14 3bd6 s ARG 242 Ca 0.05 -0.78 -0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3bd6 s ARG 242 Cb -0.16 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.88 3bd6 s ARG 242 CO 0.05 -0.38 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.55 3bd6 s LEU 243 N 1.51 2.91 0.06 -0.88 1.43 -0.36 -2.28 118.68 121.08 3bd6 s LEU 243 Ca 0.03 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 3bd6 s LEU 243 Cb -0.17 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 3bd6 s LEU 243 CO 0.02 0.20 0.56 0.26 0.23 0.00 0.00 176.35 177.63 3bd6 s TRP 244 N 0.13 3.79 -0.04 0.29 0.52 -0.16 -0.84 118.94 122.62 3bd6 s TRP 244 Ca -0.05 1.25 0.06 0.00 0.02 0.00 0.00 56.10 57.38 3bd6 s TRP 244 Cb -0.14 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 3bd6 s TRP 244 CO 0.04 0.57 -0.22 0.45 0.02 0.00 0.00 176.95 177.81 3bd6 s SER 245 N -1.01 3.37 0.01 2.95 0.15 0.34 -1.02 113.70 118.50 3bd6 s SER 245 Ca 0.29 -0.40 -0.26 0.00 0.70 0.00 0.00 55.95 56.28 3bd6 s SER 245 Cb -0.19 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 3bd6 s SER 245 CO 0.18 0.30 0.81 0.00 1.20 0.00 0.00 173.24 175.73 3bd6 s ALA 246 N -0.47 3.30 -0.02 5.45 0.00 -1.26 -0.47 121.76 128.30 3bd6 s ALA 246 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.35 3bd6 s ALA 246 Cb -0.12 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3bd6 s ALA 246 CO 0.01 -0.06 -0.05 0.15 0.00 0.00 0.00 175.76 175.81 3bd6 s LYS 247 N 0.44 0.55 0.32 0.00 -0.14 0.00 -4.64 119.74 116.28 3bd6 s LYS 247 Ca 0.42 -0.16 -0.27 0.00 -1.36 0.00 0.00 55.97 54.60 3bd6 s LYS 247 Cb -0.20 -0.56 -0.09 0.00 -1.68 0.00 0.00 37.83 35.29 3bd6 s LYS 247 CO 0.23 0.05 1.04 0.00 -0.76 0.00 0.00 175.35 175.91 3bd6 s ALA 248 N 0.25 3.26 0.79 5.17 0.00 -1.26 0.03 121.76 129.99 3bd6 s ALA 248 Ca -0.03 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 3bd6 s ALA 248 Cb -0.07 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.84 3bd6 s ALA 248 CO -0.00 -0.10 1.10 -1.25 0.00 0.00 0.00 175.76 175.51 3bd6 s PRO 249 N -1.88 2.11 0.43 0.00 0.04 -1.26 -4.86 135.00 129.58 3bd6 s PRO 249 Ca 0.50 1.25 0.23 0.00 0.04 0.00 0.00 61.00 63.02 3bd6 s PRO 249 Cb -0.26 -1.87 0.85 0.00 0.04 0.00 0.00 34.50 33.25 3bd6 s PRO 249 CO 0.33 -1.77 1.80 -0.91 0.04 0.00 0.00 177.00 176.49 3bd6 h ASN 250 N -1.15 0.00 -0.29 6.66 2.35 -2.00 -1.99 115.58 119.16 3bd6 h ASN 250 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3bd6 h ASN 250 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 3bd6 h ASN 250 CO 0.50 0.25 0.00 -0.90 -1.65 0.00 0.00 177.43 175.63 3bd6 n ASP 251 N -3.40 1.56 -4.68 5.81 5.75 -1.26 -4.88 116.55 115.45 3bd6 n ASP 251 Ca 0.00 -2.00 -0.47 0.00 -0.01 0.00 0.00 54.79 52.31 3bd6 n ASP 251 Cb 0.45 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3bd6 n ASP 251 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3bd6 n PHE 252 N 0.35 2.34 -1.04 2.11 7.35 -0.75 -0.51 117.46 127.31 3bd6 n PHE 252 Ca 0.10 0.04 -0.06 0.00 -0.76 0.00 0.00 57.45 56.77 3bd6 n PHE 252 Cb 0.25 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.41 3bd6 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3bd6 n ASN 253 N 5.77 -4.48 -4.07 -2.13 5.03 -1.26 -4.78 115.26 109.34 3bd6 n ASN 253 Ca 0.21 0.16 -0.32 0.00 0.87 0.00 0.00 54.58 55.49 3bd6 n ASN 253 Cb 0.30 -3.22 -0.15 0.00 -1.02 0.00 0.00 39.78 35.69 3bd6 n ASN 253 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3bd6 s LEU 254 N -1.60 2.94 0.00 3.41 1.43 0.34 -4.86 118.68 120.33 3bd6 s LEU 254 Ca 0.00 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.96 3bd6 s LEU 254 Cb 0.00 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3bd6 s LEU 254 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3bd6 n GLY 261 N 4.52 -2.46 0.17 -3.19 0.00 -1.26 -4.90 105.19 98.07 3bd6 n GLY 261 Ca -0.16 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3bd6 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3bd6 h TYR 262 N 0.00 -0.33 -0.09 1.61 3.20 -2.00 -2.00 116.97 117.37 3bd6 h TYR 262 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3bd6 h TYR 262 Cb 0.00 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3bd6 h TYR 262 CO 0.00 -0.20 0.01 0.82 -1.64 0.00 0.00 178.16 177.15 3bd6 h ILE 263 N -0.24 0.95 -0.90 1.81 1.08 -2.02 -2.51 117.51 115.68 3bd6 h ILE 263 Ca 0.03 -0.01 0.01 0.00 -0.39 0.00 0.00 64.86 64.50 3bd6 h ILE 263 Cb 0.28 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 3bd6 h ILE 263 CO -0.10 0.01 0.60 -0.61 -0.69 0.00 0.00 178.15 177.35 3bd6 h GLN 264 N 0.04 1.18 -0.84 2.37 5.75 -1.97 -1.19 115.11 120.45 3bd6 h GLN 264 Ca 0.04 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3bd6 h GLN 264 Cb 0.04 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.28 3bd6 h GLN 264 CO -0.06 0.78 0.47 0.00 -2.65 0.00 0.00 178.83 177.37 3bd6 h ALA 265 N 1.44 1.24 -0.30 3.38 0.00 -0.98 0.15 119.26 124.18 3bd6 h ALA 265 Ca 0.33 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3bd6 h ALA 265 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 3bd6 h ALA 265 CO -0.08 0.62 -0.11 0.28 0.00 0.00 0.00 179.25 179.97 3bd6 h VAL 266 N 1.18 1.29 -0.04 0.00 2.07 -1.03 -3.11 116.25 116.60 3bd6 h VAL 266 Ca 0.30 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 3bd6 h VAL 266 Cb 0.01 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3bd6 h VAL 266 CO -0.05 0.38 -0.21 -0.07 0.02 0.00 0.00 177.57 177.63 3bd6 h LEU 267 N 0.37 0.06 0.00 2.57 3.38 -0.78 -2.52 115.31 118.40 3bd6 h LEU 267 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3bd6 h LEU 267 Cb 0.62 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3bd6 h LEU 267 CO 0.04 0.28 0.00 0.47 0.09 0.00 0.00 178.44 179.32 3bd6 n ASP 268 N -4.26 0.00 0.15 -0.43 8.00 0.47 -2.89 116.55 117.60 3bd6 n ASP 268 Ca -0.02 0.06 0.09 0.00 0.71 0.00 0.00 54.79 55.64 3bd6 n ASP 268 Cb 0.29 -0.31 0.60 0.00 -0.02 0.00 0.00 41.12 41.68 3bd6 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3bd6 h ARG 269 N 0.00 0.13 -1.02 -1.24 3.08 -1.48 -2.15 114.38 111.70 3bd6 h ARG 269 Ca 0.00 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.29 3bd6 h ARG 269 Cb 0.21 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 3bd6 h ARG 269 CO 0.00 0.09 0.66 -0.91 -1.07 0.00 0.00 179.97 178.73 3bd6 h ASN 270 N 0.13 0.47 -0.33 7.04 -0.26 -1.76 -2.28 115.58 118.60 3bd6 h ASN 270 Ca 0.09 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.94 3bd6 h ASN 270 Cb 0.18 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 3bd6 h ASN 270 CO -0.01 0.11 0.14 -0.07 -1.06 0.00 0.00 177.43 176.54 3bd6 h LEU 271 N 0.43 0.19 -0.58 1.61 4.07 -1.64 -0.10 115.31 119.28 3bd6 h LEU 271 Ca 0.58 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.47 3bd6 h LEU 271 Cb 1.42 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 43.13 3bd6 h LEU 271 CO -0.29 0.14 0.01 0.00 -1.08 0.00 0.00 178.44 177.23 3bd6 h ALA 272 N 1.19 0.78 0.00 1.53 0.00 -1.59 -3.19 119.26 117.97 3bd6 h ALA 272 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bd6 h ALA 272 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3bd6 h ALA 272 CO -0.12 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.12 3bd6 n GLU 273 N -4.24 0.05 0.29 0.00 1.02 -0.93 -3.07 120.64 113.77 3bd6 n GLU 273 Ca 0.02 0.07 0.20 0.00 -0.02 0.00 0.00 57.16 57.43 3bd6 n GLU 273 Cb 0.33 -1.57 0.99 0.00 -0.02 0.00 0.00 31.44 31.18 3bd6 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3bd6 h ASN 274 N 0.00 0.00 -0.68 1.62 2.35 -1.01 -3.13 115.58 114.72 3bd6 h ASN 274 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3bd6 h ASN 274 Cb 0.52 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 3bd6 h ASN 274 CO 0.00 0.00 0.33 0.40 -1.65 0.00 0.00 177.43 176.51 3bd6 h ILE 275 N 0.00 0.84 -0.58 2.81 2.04 -1.76 -2.28 117.51 118.58 3bd6 h ILE 275 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3bd6 h ILE 275 Cb 0.11 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3bd6 h ILE 275 CO 0.00 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 3bd6 n SER 276 N -4.89 5.50 -0.02 1.72 3.41 -1.18 -4.63 113.62 113.54 3bd6 n SER 276 Ca 0.10 -2.84 -0.16 0.00 -0.26 0.00 0.00 58.87 55.72 3bd6 n SER 276 Cb 0.27 -0.66 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 3bd6 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3bd6 h ARG 277 N 3.96 0.31 -3.30 4.33 9.65 -1.52 -2.09 114.38 125.71 3bd6 h ARG 277 Ca 0.00 -0.29 -0.19 0.00 -1.10 0.00 0.00 59.98 58.40 3bd6 h ARG 277 Cb 1.86 0.07 -0.27 0.00 -1.39 0.00 0.00 29.97 30.25 3bd6 h ARG 277 CO 0.43 0.97 -0.52 0.54 2.80 0.00 0.00 179.97 184.18 3bd6 s VAL 278 N -3.37 -0.01 0.04 0.20 0.11 -1.26 -0.59 120.40 115.52 3bd6 s VAL 278 Ca -0.14 0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3bd6 s VAL 278 Cb 0.03 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 3bd6 s VAL 278 CO 0.78 0.01 1.23 -0.22 -3.33 0.00 0.00 175.10 173.57 3bd6 s LEU 279 N 0.23 4.35 -0.02 2.54 2.96 -0.68 -4.99 118.68 123.06 3bd6 s LEU 279 Ca -0.01 2.00 -0.30 0.00 -0.22 0.00 0.00 54.13 55.61 3bd6 s LEU 279 Cb -0.02 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.03 3bd6 s LEU 279 CO -0.01 -0.53 1.76 -0.31 -1.32 0.00 0.00 176.35 175.95 3bd6 s TYR 280 N 1.42 1.75 -0.12 5.38 1.51 -1.26 -4.84 117.35 121.18 3bd6 s TYR 280 Ca 0.59 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 3bd6 s TYR 280 Cb -0.29 -4.03 0.18 0.00 -0.11 0.00 0.00 41.96 37.71 3bd6 s TYR 280 CO 0.28 -4.44 1.27 -0.35 -1.11 0.00 0.00 175.55 171.20 3bd6 n PRO 281 N 7.25 1.35 -3.53 -1.71 -0.04 -1.26 -4.88 135.00 132.18 3bd6 n PRO 281 Ca 0.18 -0.83 -0.37 0.00 -0.04 0.00 0.00 63.50 62.44 3bd6 n PRO 281 Cb 0.42 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.47 3bd6 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3bd6 s ASN 282 N 0.39 6.25 -0.26 3.54 0.01 -1.26 -4.42 114.94 119.19 3bd6 s ASN 282 Ca 0.16 0.28 -0.09 0.00 -0.71 0.00 0.00 52.86 52.49 3bd6 s ASN 282 Cb 0.13 -2.16 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3bd6 s ASN 282 CO 0.03 -0.02 0.13 -0.62 -1.51 0.00 0.00 177.10 175.11 3bd6 s ASP 283 N 1.14 5.68 -1.39 -1.22 2.15 -1.26 -4.59 116.67 117.18 3bd6 s ASP 283 Ca 0.13 -0.06 -0.02 0.00 0.43 0.00 0.00 52.55 53.02 3bd6 s ASP 283 Cb -0.14 -2.03 0.02 0.00 -0.30 0.00 0.00 42.92 40.46 3bd6 s ASP 283 CO 0.07 -0.01 0.63 0.59 -0.17 0.00 0.00 175.17 176.27 3bd6 n ASN 284 N 4.80 -1.33 -3.66 -0.34 3.02 -1.26 -4.98 115.26 111.51 3bd6 n ASN 284 Ca -0.15 -0.89 -0.08 0.00 -0.03 0.00 0.00 54.58 53.43 3bd6 n ASN 284 Cb 0.52 -3.61 -0.08 0.00 -0.61 0.00 0.00 39.78 36.00 3bd6 n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3bd6 s PHE 285 N -3.72 -0.92 -0.16 3.10 5.36 -1.26 -4.29 117.98 116.09 3bd6 s PHE 285 Ca 0.11 1.85 -0.17 0.00 -0.96 0.00 0.00 56.93 57.76 3bd6 s PHE 285 Cb -0.06 0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 43.10 3bd6 s PHE 285 CO 0.85 -0.47 0.45 0.12 -1.46 0.00 0.00 175.22 174.70 3bd6 s PHE 286 N 1.63 3.45 -0.20 10.12 2.19 0.08 -4.86 117.98 130.39 3bd6 s PHE 286 Ca -0.10 0.77 0.01 0.00 0.33 0.00 0.00 56.93 57.95 3bd6 s PHE 286 Cb -0.07 -2.54 0.03 0.00 -1.31 0.00 0.00 43.02 39.14 3bd6 s PHE 286 CO -0.17 0.09 -0.14 -2.00 1.83 0.00 0.00 175.22 174.82 3bd6 s GLU 287 N 0.94 2.45 -1.30 10.12 2.12 -1.26 -4.96 118.70 126.81 3bd6 s GLU 287 Ca 0.23 -0.89 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 3bd6 s GLU 287 Cb -0.15 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.76 3bd6 s GLU 287 CO 0.09 -0.35 2.68 0.41 -0.54 0.00 0.00 175.26 177.55 3bd6 n GLY 288 N 4.63 4.71 3.88 -1.50 0.00 -1.26 -4.94 105.19 110.71 3bd6 n GLY 288 Ca -0.17 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 3bd6 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bd6 s LYS 289 N 0.06 3.64 0.24 1.61 -0.14 -1.26 -5.00 119.74 118.88 3bd6 s LYS 289 Ca 0.61 0.02 -0.05 0.00 -1.36 0.00 0.00 55.97 55.18 3bd6 s LYS 289 Cb 0.20 -3.08 0.33 0.00 -1.68 0.00 0.00 37.83 33.61 3bd6 s LYS 289 CO -0.09 0.64 1.86 1.49 -0.76 0.00 0.00 175.35 178.49 3bd6 h GLU 290 N 4.04 1.00 -0.91 1.68 4.81 -2.00 -2.16 114.58 121.04 3bd6 h GLU 290 Ca -0.50 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3bd6 h GLU 290 Cb 1.20 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 3bd6 h GLU 290 CO 0.65 0.66 0.60 1.25 -0.73 0.00 0.00 179.01 181.44 3bd6 h LEU 291 N 1.03 0.98 -0.65 1.64 5.85 -1.99 -0.80 115.31 121.37 3bd6 h LEU 291 Ca 0.38 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.03 3bd6 h LEU 291 Cb 0.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3bd6 h LEU 291 CO -0.16 0.68 0.20 -0.09 -0.34 0.00 0.00 178.44 178.72 3bd6 h ARG 292 N 1.14 1.02 -0.60 1.25 9.65 -1.76 -1.51 114.38 123.56 3bd6 h ARG 292 Ca 0.36 -0.22 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 3bd6 h ARG 292 Cb 0.01 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 3bd6 h ARG 292 CO -0.11 0.89 0.28 1.25 2.80 0.00 0.00 179.97 185.09 3bd6 h LEU 293 N 0.95 0.80 -0.83 3.80 5.85 -1.08 -1.38 115.31 123.41 3bd6 h LEU 293 Ca 0.21 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3bd6 h LEU 293 Cb 0.30 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3bd6 h LEU 293 CO -0.01 0.71 0.54 0.11 -0.34 0.00 0.00 178.44 179.46 3bd6 h LYS 294 N 0.83 1.05 -0.43 1.25 1.57 -0.95 -1.37 116.57 118.52 3bd6 h LYS 294 Ca 0.21 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3bd6 h LYS 294 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3bd6 h LYS 294 CO -0.02 0.70 0.28 1.96 -0.57 0.00 0.00 179.45 181.79 3bd6 h GLN 295 N 1.08 0.56 -0.76 3.15 4.20 -0.86 0.03 115.11 122.51 3bd6 h GLN 295 Ca 0.32 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 3bd6 h GLN 295 Cb -0.06 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3bd6 h GLN 295 CO -0.09 0.37 0.35 0.93 -0.67 0.00 0.00 178.83 179.72 3bd6 h GLU 296 N 0.57 1.10 -0.13 1.46 5.08 -0.74 -2.23 114.58 119.69 3bd6 h GLU 296 Ca 0.16 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 3bd6 h GLU 296 Cb -0.05 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.01 3bd6 h GLU 296 CO -0.04 0.87 -0.81 -0.92 -1.00 0.00 0.00 179.01 177.10 3bd6 h TYR 297 N 1.07 1.07 -0.35 4.33 3.20 -1.11 -3.05 116.97 122.13 3bd6 h TYR 297 Ca 0.26 -0.49 0.07 0.00 3.14 0.00 0.00 58.73 61.71 3bd6 h TYR 297 Cb 0.14 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 3bd6 h TYR 297 CO 0.01 1.32 -0.09 0.35 -1.64 0.00 0.00 178.16 178.12 3bd6 h PHE 298 N 0.52 -0.18 -0.60 -3.82 3.57 -0.79 0.21 116.94 115.86 3bd6 h PHE 298 Ca -0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3bd6 h PHE 298 Cb 1.45 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 3bd6 h PHE 298 CO 0.09 -0.15 0.10 -0.24 -2.23 0.00 0.00 178.31 175.88 3bd6 h VAL 299 N 0.00 1.26 -0.19 1.41 3.04 -1.48 -2.69 116.25 117.60 3bd6 h VAL 299 Ca 0.17 -0.99 -0.04 0.00 -1.01 0.00 0.00 66.70 64.83 3bd6 h VAL 299 Cb 0.25 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 3bd6 h VAL 299 CO -0.36 0.37 -0.04 0.58 -1.01 0.00 0.00 177.57 177.11 3bd6 h VAL 300 N 0.89 1.28 -0.13 1.51 2.07 -1.30 -1.85 116.25 118.72 3bd6 h VAL 300 Ca 0.18 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3bd6 h VAL 300 Cb 0.42 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3bd6 h VAL 300 CO 0.01 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.90 3bd6 h ALA 301 N 0.74 0.17 -0.43 1.67 0.00 -0.60 -1.27 119.26 119.54 3bd6 h ALA 301 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3bd6 h ALA 301 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3bd6 h ALA 301 CO 0.02 -0.14 0.16 0.00 0.00 0.00 0.00 179.25 179.29 3bd6 h ALA 302 N 0.76 0.56 -0.12 0.00 0.00 -1.55 -2.76 119.26 116.15 3bd6 h ALA 302 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bd6 h ALA 302 Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3bd6 h ALA 302 CO 0.01 0.17 0.07 1.15 0.00 0.00 0.00 179.25 180.64 3bd6 h THR 303 N 0.55 1.08 -0.82 0.00 2.02 -1.29 -2.28 112.91 112.17 3bd6 h THR 303 Ca 0.14 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3bd6 h THR 303 Cb 0.21 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3bd6 h THR 303 CO -0.01 0.07 0.41 -0.07 0.37 0.00 0.00 175.52 176.29 3bd6 h LEU 304 N 0.10 1.06 -0.82 2.58 3.38 -1.23 0.10 115.31 120.49 3bd6 h LEU 304 Ca 0.04 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3bd6 h LEU 304 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3bd6 h LEU 304 CO -0.01 0.88 0.54 1.56 0.09 0.00 0.00 178.44 181.51 3bd6 h GLN 305 N 1.17 1.07 -0.39 1.13 4.20 -1.39 -0.99 115.11 119.91 3bd6 h GLN 305 Ca 0.29 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3bd6 h GLN 305 Cb 0.09 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3bd6 h GLN 305 CO -0.04 0.71 0.11 0.22 -0.67 0.00 0.00 178.83 179.16 3bd6 h ASP 306 N 1.11 0.59 -0.19 1.46 -0.00 -0.77 -0.55 116.42 118.07 3bd6 h ASP 306 Ca 0.30 -0.22 0.01 0.00 -0.00 0.00 0.00 57.03 57.12 3bd6 h ASP 306 Cb -0.13 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.03 3bd6 h ASP 306 CO -0.07 0.65 0.10 0.40 -0.00 0.00 0.00 179.24 180.32 3bd6 h ILE 307 N 0.49 1.00 -0.50 2.25 2.04 -0.78 -1.51 117.51 120.50 3bd6 h ILE 307 Ca 0.13 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 3bd6 h ILE 307 Cb 0.28 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3bd6 h ILE 307 CO -0.00 0.04 -0.01 0.40 0.00 0.00 0.00 178.15 178.58 3bd6 h ILE 308 N 0.20 1.26 -0.27 -0.67 2.04 -1.07 -0.30 117.51 118.70 3bd6 h ILE 308 Ca 0.08 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3bd6 h ILE 308 Cb 0.01 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3bd6 h ILE 308 CO -0.05 0.38 0.01 -0.09 0.00 0.00 0.00 178.15 178.41 3bd6 h ARG 309 N 0.76 0.10 -0.44 2.37 2.43 -1.00 -0.63 114.38 117.96 3bd6 h ARG 309 Ca 0.14 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3bd6 h ARG 309 Cb 0.53 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3bd6 h ARG 309 CO 0.03 0.07 0.02 -0.09 -1.51 0.00 0.00 179.97 178.48 3bd6 h ARG 310 N 0.10 0.69 -0.42 0.20 2.43 -1.01 -1.44 114.38 114.94 3bd6 h ARG 310 Ca 0.13 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3bd6 h ARG 310 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3bd6 h ARG 310 CO -0.21 0.69 -0.03 0.35 -1.51 0.00 0.00 179.97 179.26 3bd6 h PHE 311 N 0.66 0.84 -0.19 2.20 3.57 -0.62 -3.18 116.94 120.22 3bd6 h PHE 311 Ca 0.14 -0.16 -0.14 0.00 3.53 0.00 0.00 57.97 61.33 3bd6 h PHE 311 Cb 0.38 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3bd6 h PHE 311 CO 0.02 0.85 -0.49 0.87 -2.23 0.00 0.00 178.31 177.32 3bd6 h LYS 312 N 0.59 0.50 -2.19 1.11 1.57 -0.91 -3.31 116.57 113.93 3bd6 h LYS 312 Ca 0.11 -0.29 -0.69 0.00 -1.87 0.00 0.00 60.65 57.91 3bd6 h LYS 312 Cb 0.53 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 32.66 3bd6 h LYS 312 CO 0.03 0.88 1.17 0.43 -0.57 0.00 0.00 179.45 181.39 3bd6 n SER 313 N -3.98 7.31 -4.37 0.86 7.64 -0.56 -4.89 113.62 115.63 3bd6 n SER 313 Ca -0.02 -3.46 -0.21 0.00 1.01 0.00 0.00 58.87 56.18 3bd6 n SER 313 Cb 0.56 -1.21 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 3bd6 n SER 313 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3bd6 s SER 314 N -0.39 2.86 0.00 6.43 1.04 -1.25 -4.92 113.70 117.48 3bd6 s SER 314 Ca 0.52 -0.95 0.11 0.00 0.48 0.00 0.00 55.95 56.10 3bd6 s SER 314 Cb 0.31 -0.18 0.46 0.00 0.10 0.00 0.00 66.02 66.71 3bd6 s SER 314 CO -0.23 -0.06 1.34 1.17 0.98 0.00 0.00 173.24 176.45 3bd6 n LYS 315 N -0.12 0.00 0.00 4.02 4.81 -1.26 -3.70 118.16 121.91 3bd6 n LYS 315 Ca -0.10 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 3bd6 n LYS 315 Cb 0.59 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.13 3bd6 n LYS 315 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3bd6 n PHE 316 N -1.51 0.00 0.00 5.64 7.35 -1.26 -5.12 117.46 122.56 3bd6 n PHE 316 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3bd6 n PHE 316 Cb 0.12 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.58 3bd6 n PHE 316 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bd6 n GLY 317 N 0.98 2.28 4.65 7.13 0.00 -1.24 -5.24 105.19 113.76 3bd6 n GLY 317 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3bd6 n GLY 317 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bd6 n THR 324 N 1.17 0.00 -3.44 2.61 -1.04 -1.26 -5.02 114.28 107.30 3bd6 n THR 324 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3bd6 n THR 324 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3bd6 n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3bd6 s ASN 325 N 0.00 6.04 0.00 8.00 3.04 -1.26 -4.94 114.94 125.82 3bd6 s ASN 325 Ca 0.00 -1.32 0.30 0.00 0.04 0.00 0.00 52.86 51.88 3bd6 s ASN 325 Cb 0.00 -2.14 1.51 0.00 -1.54 0.00 0.00 41.25 39.08 3bd6 s ASN 325 CO 0.00 -0.61 2.01 0.49 -3.04 0.00 0.00 177.10 175.95 3bd6 n PHE 326 N 5.14 0.00 -0.01 0.43 3.72 -1.26 -3.55 117.46 121.93 3bd6 n PHE 326 Ca -0.12 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.33 3bd6 n PHE 326 Cb 0.44 -0.04 0.43 0.00 -0.94 0.00 0.00 39.48 39.37 3bd6 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3bd6 h ASP 327 N 0.85 0.46 0.00 4.37 5.19 -1.98 -1.97 116.42 123.34 3bd6 h ASP 327 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3bd6 h ASP 327 Cb 0.23 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3bd6 h ASP 327 CO 0.00 0.33 -0.01 0.00 -3.12 0.00 0.00 179.24 176.43 3bd6 n ALA 328 N -2.48 2.60 -0.04 3.45 0.00 -1.23 -4.39 120.51 118.42 3bd6 n ALA 328 Ca 0.04 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.96 3bd6 n ALA 328 Cb 0.10 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3bd6 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3bd6 h PHE 329 N 2.27 -0.45 0.00 0.00 3.04 -1.55 -1.60 116.94 118.65 3bd6 h PHE 329 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 3bd6 h PHE 329 Cb 0.50 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.24 3bd6 h PHE 329 CO 0.00 -0.25 0.00 -2.30 -2.02 0.00 0.00 178.31 173.74 3bd6 n PRO 330 N -5.33 0.20 0.20 6.41 -0.02 -1.26 -0.95 135.00 134.24 3bd6 n PRO 330 Ca -0.01 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 3bd6 n PRO 330 Cb 0.25 -1.91 0.19 0.00 -0.02 0.00 0.00 33.50 32.00 3bd6 n PRO 330 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3bd6 h ASP 331 N 0.00 0.00 0.00 2.55 3.32 -1.58 -3.35 116.42 117.36 3bd6 h ASP 331 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bd6 h ASP 331 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3bd6 h ASP 331 CO 0.00 0.00 -0.26 0.29 -1.72 0.00 0.00 179.24 177.55 3bd6 n LYS 332 N -2.96 5.23 -4.05 3.56 4.76 -0.75 -4.58 118.16 119.37 3bd6 n LYS 332 Ca 0.04 -0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.30 3bd6 n LYS 332 Cb 0.52 -0.74 -0.16 0.00 -1.84 0.00 0.00 35.03 32.81 3bd6 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3bd6 s VAL 333 N -1.48 0.35 -0.05 -0.18 1.01 -0.13 -0.85 120.40 119.06 3bd6 s VAL 333 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3bd6 s VAL 333 Cb 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3bd6 s VAL 333 CO 0.19 0.17 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 3bd6 s ALA 334 N 0.83 1.74 -0.20 5.51 0.00 -0.38 -4.49 121.76 124.76 3bd6 s ALA 334 Ca -0.10 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3bd6 s ALA 334 Cb -0.13 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3bd6 s ALA 334 CO -0.01 0.31 -0.15 0.42 0.00 0.00 0.00 175.76 176.33 3bd6 s ILE 335 N 0.04 2.38 -0.26 0.00 1.01 -0.36 -0.19 121.20 123.81 3bd6 s ILE 335 Ca -0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 3bd6 s ILE 335 Cb -0.13 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3bd6 s ILE 335 CO 0.03 0.41 0.14 -1.58 0.00 0.00 0.00 174.94 173.94 3bd6 s GLN 336 N 1.30 3.85 -0.36 2.79 2.00 -0.04 -1.44 119.66 127.76 3bd6 s GLN 336 Ca 0.03 -0.38 -0.19 0.00 -2.00 0.00 0.00 55.36 52.82 3bd6 s GLN 336 Cb -0.14 -3.50 0.00 0.00 0.80 0.00 0.00 33.01 30.17 3bd6 s GLN 336 CO -0.09 -0.14 0.56 -0.51 -0.50 0.00 0.00 175.29 174.60 3bd6 s LEU 337 N 1.59 4.34 -0.81 3.68 1.43 0.12 -1.16 118.68 127.87 3bd6 s LEU 337 Ca 0.07 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.92 3bd6 s LEU 337 Cb -0.15 -2.66 0.06 0.00 0.03 0.00 0.00 46.19 43.46 3bd6 s LEU 337 CO 0.07 -0.54 1.22 0.21 0.23 0.00 0.00 176.35 177.54 3bd6 s ASN 338 N 1.79 6.30 0.54 2.29 2.47 -0.73 -1.76 114.94 125.83 3bd6 s ASN 338 Ca 0.21 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.48 3bd6 s ASN 338 Cb -0.15 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 3bd6 s ASN 338 CO 0.14 -1.57 0.00 -0.67 -3.72 0.00 0.00 177.10 171.28 3bd6 n ASP 339 N 8.51 -3.16 -0.23 -4.21 4.64 -0.48 -4.18 116.55 117.44 3bd6 n ASP 339 Ca 0.11 0.00 0.14 0.00 -1.38 0.00 0.00 54.79 53.65 3bd6 n ASP 339 Cb 0.49 0.00 0.55 0.00 -1.04 0.00 0.00 41.12 41.11 3bd6 n ASP 339 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3bd6 n THR 340 N -1.03 0.00 -0.30 5.18 -2.24 -1.26 -4.36 114.28 110.26 3bd6 n THR 340 Ca 0.00 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.72 3bd6 n THR 340 Cb 0.00 0.16 0.21 0.00 -2.10 0.00 0.00 70.33 68.60 3bd6 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3bd6 h HIS 341 N 1.13 0.85 -0.68 4.78 3.86 -1.97 0.10 115.15 123.23 3bd6 h HIS 341 Ca 0.00 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 58.94 3bd6 h HIS 341 Cb 0.41 -0.25 -0.18 0.00 1.06 0.00 0.00 27.41 28.45 3bd6 h HIS 341 CO 0.00 0.28 0.38 -0.35 0.86 0.00 0.00 177.93 179.10 3bd6 n PRO 342 N -4.79 2.45 0.30 2.45 -0.04 -1.26 -4.63 135.00 129.48 3bd6 n PRO 342 Ca 0.16 -2.32 0.16 0.00 -0.04 0.00 0.00 63.50 61.46 3bd6 n PRO 342 Cb 0.37 -1.95 0.95 0.00 -0.04 0.00 0.00 33.50 32.83 3bd6 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bd6 h SER 343 N 1.32 0.00 0.22 3.54 4.64 -1.05 -1.60 113.55 120.62 3bd6 h SER 343 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3bd6 h SER 343 Cb 2.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 3bd6 h SER 343 CO 0.73 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.87 3bd6 n LEU 344 N -3.75 0.00 -0.19 5.97 4.77 -1.26 -2.06 117.00 120.48 3bd6 n LEU 344 Ca -0.03 0.49 0.10 0.00 -0.03 0.00 0.00 56.01 56.54 3bd6 n LEU 344 Cb 0.09 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.10 3bd6 n LEU 344 CO 0.26 -0.38 1.21 0.00 -1.33 0.00 0.00 177.39 177.16 3bd6 h ALA 345 N 2.23 1.85 0.79 -1.18 0.00 -1.65 -0.75 119.26 120.54 3bd6 h ALA 345 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3bd6 h ALA 345 Cb 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3bd6 h ALA 345 CO 0.00 -0.01 -0.38 0.82 0.00 0.00 0.00 179.25 179.68 3bd6 h ILE 346 N 0.64 0.00 0.00 0.00 2.04 -1.66 0.17 117.51 118.70 3bd6 h ILE 346 Ca 0.35 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 3bd6 h ILE 346 Cb 0.52 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3bd6 h ILE 346 CO -0.13 0.00 -0.25 1.55 0.00 0.00 0.00 178.15 179.32 3bd6 h PRO 347 N -1.28 0.00 -0.40 2.37 0.13 -1.75 -2.34 132.00 128.73 3bd6 h PRO 347 Ca -0.11 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 3bd6 h PRO 347 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3bd6 h PRO 347 CO 0.18 0.25 -0.12 1.49 -0.23 0.00 0.00 178.00 179.57 3bd6 h GLU 348 N 0.00 0.79 -0.51 0.86 4.57 -1.10 0.42 114.58 119.60 3bd6 h GLU 348 Ca -0.00 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3bd6 h GLU 348 Cb 0.57 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3bd6 h GLU 348 CO 0.03 0.93 0.27 1.25 -1.18 0.00 0.00 179.01 180.32 3bd6 h LEU 349 N 0.61 0.65 -0.64 1.64 5.85 -0.82 -1.18 115.31 121.42 3bd6 h LEU 349 Ca 0.10 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3bd6 h LEU 349 Cb 0.65 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3bd6 h LEU 349 CO 0.04 0.56 0.38 0.24 -0.34 0.00 0.00 178.44 179.32 3bd6 h MET 350 N 0.68 0.71 0.07 1.25 2.86 -1.32 -0.93 114.93 118.25 3bd6 h MET 350 Ca 0.18 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 3bd6 h MET 350 Cb 0.06 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3bd6 h MET 350 CO -0.03 0.47 -0.12 -0.09 1.06 0.00 0.00 176.91 178.20 3bd6 h ARG 351 N 0.73 -0.23 0.00 1.72 2.43 -0.55 0.66 114.38 119.14 3bd6 h ARG 351 Ca 0.27 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3bd6 h ARG 351 Cb 0.08 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3bd6 h ARG 351 CO -0.13 -0.15 -0.00 0.28 -1.51 0.00 0.00 179.97 178.45 3bd6 h VAL 352 N -0.24 0.99 -0.56 0.20 2.07 -1.07 0.17 116.25 117.81 3bd6 h VAL 352 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3bd6 h VAL 352 Cb 0.26 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3bd6 h VAL 352 CO -0.07 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.64 3bd6 h LEU 353 N -0.01 0.81 0.00 2.57 3.38 -1.01 -0.81 115.31 120.24 3bd6 h LEU 353 Ca 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3bd6 h LEU 353 Cb 0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3bd6 h LEU 353 CO -0.00 0.79 -0.10 0.58 0.09 0.00 0.00 178.44 179.80 3bd6 h VAL 354 N 0.79 0.94 0.02 1.22 2.07 -0.83 -0.24 116.25 120.22 3bd6 h VAL 354 Ca 0.18 -1.73 -0.23 0.00 0.82 0.00 0.00 66.70 65.74 3bd6 h VAL 354 Cb 0.26 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3bd6 h VAL 354 CO -0.01 0.32 -0.98 0.44 0.02 0.00 0.00 177.57 177.36 3bd6 h ASP 355 N -1.00 0.47 0.00 0.57 3.45 -0.77 -2.97 116.42 116.16 3bd6 h ASP 355 Ca -0.02 -0.40 -0.33 0.00 0.43 0.00 0.00 57.03 56.71 3bd6 h ASP 355 Cb 0.59 -0.14 -0.06 0.00 -0.56 0.00 0.00 39.33 39.16 3bd6 h ASP 355 CO -0.01 1.21 -2.23 0.18 -1.57 0.00 0.00 179.24 176.82 3bd6 n LEU 356 N -3.69 2.71 0.01 1.55 4.77 -0.62 -4.54 117.00 117.19 3bd6 n LEU 356 Ca -0.06 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3bd6 n LEU 356 Cb 0.86 -0.74 0.17 0.00 -2.33 0.00 0.00 43.42 41.38 3bd6 n LEU 356 CO 0.51 0.79 0.32 -0.62 -1.33 0.00 0.00 177.39 177.06 3bd6 n GLU 357 N -3.31 0.09 -2.61 3.23 -0.58 -0.41 -4.98 120.64 112.08 3bd6 n GLU 357 Ca -0.39 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.20 3bd6 n GLU 357 Cb 0.89 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 30.23 3bd6 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3bd6 n ARG 358 N -1.66 -2.65 -2.59 3.49 5.12 -0.79 -4.96 116.66 112.62 3bd6 n ARG 358 Ca 0.04 0.69 -0.33 0.00 -1.93 0.00 0.00 57.85 56.33 3bd6 n ARG 358 Cb 0.37 -5.04 -0.05 0.00 -1.16 0.00 0.00 32.46 26.58 3bd6 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bd6 s LEU 359 N -4.75 3.81 0.64 0.55 1.02 -0.17 -4.99 118.68 114.79 3bd6 s LEU 359 Ca 0.13 1.74 -0.15 0.00 0.02 0.00 0.00 54.13 55.88 3bd6 s LEU 359 Cb -0.06 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.60 3bd6 s LEU 359 CO 0.17 -0.59 1.10 1.51 0.02 0.00 0.00 176.35 178.55 3bd6 s ASP 360 N -2.35 5.32 0.15 2.29 -4.77 -1.26 -4.37 116.67 111.68 3bd6 s ASP 360 Ca 0.63 1.95 -0.23 0.00 -3.30 0.00 0.00 52.55 51.60 3bd6 s ASP 360 Cb -0.12 -2.55 0.02 0.00 -1.09 0.00 0.00 42.92 39.19 3bd6 s ASP 360 CO 0.21 -1.48 1.62 -0.25 0.70 0.00 0.00 175.17 175.96 3bd6 h TRP 361 N 0.18 -0.74 -0.97 2.11 2.91 -1.97 -1.68 115.95 115.79 3bd6 h TRP 361 Ca -0.47 0.04 0.05 0.00 1.13 0.00 0.00 58.89 59.64 3bd6 h TRP 361 Cb 1.24 0.36 -0.06 0.00 -0.51 0.00 0.00 29.16 30.19 3bd6 h TRP 361 CO 0.56 -0.35 0.63 -0.44 -1.03 0.00 0.00 178.44 177.80 3bd6 h ASP 362 N -0.28 1.02 -0.09 2.65 3.45 -1.99 0.74 116.42 121.91 3bd6 h ASP 362 Ca 0.13 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 3bd6 h ASP 362 Cb 0.49 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.04 3bd6 h ASP 362 CO -0.40 0.67 -0.14 0.50 -1.57 0.00 0.00 179.24 178.31 3bd6 h LYS 363 N 1.17 0.25 -0.80 3.56 1.63 -1.89 -2.24 116.57 118.26 3bd6 h LYS 363 Ca 0.40 -0.15 0.11 0.00 -0.85 0.00 0.00 60.65 60.16 3bd6 h LYS 363 Cb 0.09 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.66 3bd6 h LYS 363 CO -0.15 0.72 0.43 0.00 -3.45 0.00 0.00 179.45 176.99 3bd6 h ALA 364 N 0.53 1.14 -0.47 5.00 0.00 -0.92 -1.81 119.26 122.73 3bd6 h ALA 364 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3bd6 h ALA 364 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3bd6 h ALA 364 CO 0.03 0.01 0.01 2.35 0.00 0.00 0.00 179.25 181.65 3bd6 h TRP 365 N 0.69 0.89 -0.42 0.00 2.91 -0.83 -0.67 115.95 118.52 3bd6 h TRP 365 Ca 0.40 -0.15 0.05 0.00 1.13 0.00 0.00 58.89 60.32 3bd6 h TRP 365 Cb 0.44 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 3bd6 h TRP 365 CO -0.08 0.85 0.16 1.49 -1.03 0.00 0.00 178.44 179.83 3bd6 h GLU 366 N 0.68 0.33 -0.30 2.65 4.81 -1.04 -1.04 114.58 120.67 3bd6 h GLU 366 Ca 0.14 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3bd6 h GLU 366 Cb 0.48 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3bd6 h GLU 366 CO 0.02 0.22 0.14 0.28 -0.73 0.00 0.00 179.01 178.94 3bd6 h VAL 367 N 0.34 1.16 0.10 0.32 2.07 -1.07 -2.20 116.25 116.96 3bd6 h VAL 367 Ca 0.19 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3bd6 h VAL 367 Cb 0.16 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3bd6 h VAL 367 CO -0.18 0.16 -0.10 0.74 0.02 0.00 0.00 177.57 178.21 3bd6 h THR 368 N 0.35 0.78 -0.38 2.57 2.02 -0.89 -1.48 112.91 115.88 3bd6 h THR 368 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3bd6 h THR 368 Cb 0.12 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3bd6 h THR 368 CO -0.01 0.00 0.24 0.58 0.37 0.00 0.00 175.52 176.70 3bd6 h VAL 369 N -0.22 1.07 0.00 3.16 2.07 -1.14 -1.17 116.25 120.02 3bd6 h VAL 369 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 3bd6 h VAL 369 Cb 0.21 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3bd6 h VAL 369 CO -0.03 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.72 3bd6 h LYS 370 N 0.49 0.00 0.16 1.57 1.57 -1.27 -2.11 116.57 116.97 3bd6 h LYS 370 Ca 0.14 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.57 3bd6 h LYS 370 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3bd6 h LYS 370 CO -0.05 0.04 -1.85 1.15 -0.57 0.00 0.00 179.45 178.17 3bd6 h THR 371 N 0.00 0.81 -2.99 -0.16 2.02 -0.43 -3.47 112.91 108.68 3bd6 h THR 371 Ca -0.00 -2.45 -0.61 0.00 0.77 0.00 0.00 66.41 64.12 3bd6 h THR 371 Cb 0.33 2.65 -0.05 0.00 -1.74 0.00 0.00 68.15 69.34 3bd6 h THR 371 CO 0.01 0.87 -0.27 0.00 0.37 0.00 0.00 175.52 176.50 3bd6 s ALA 373 N -1.21 0.20 -0.08 0.00 0.00 -0.52 -1.84 121.76 118.32 3bd6 s ALA 373 Ca 0.26 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3bd6 s ALA 373 Cb -0.15 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.12 3bd6 s ALA 373 CO 0.14 -0.14 -0.12 -0.47 0.00 0.00 0.00 175.76 175.17 3bd6 s TYR 374 N -1.48 1.53 -0.24 0.00 6.14 -0.38 -0.70 117.35 122.22 3bd6 s TYR 374 Ca -0.15 -0.61 -0.07 0.00 0.64 0.00 0.00 57.07 56.89 3bd6 s TYR 374 Cb -0.10 -1.13 -0.03 0.00 0.42 0.00 0.00 41.96 41.12 3bd6 s TYR 374 CO -0.01 -0.32 0.06 0.99 0.64 0.00 0.00 175.55 176.91 3bd6 s THR 375 N 0.80 4.31 0.04 4.34 2.01 -0.72 -1.54 115.64 124.88 3bd6 s THR 375 Ca -0.12 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 3bd6 s THR 375 Cb -0.15 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 3bd6 s THR 375 CO 0.02 0.35 0.53 0.21 -0.69 0.00 0.00 174.62 175.04 3bd6 s ASN 376 N 1.50 6.98 0.00 3.53 3.84 -0.38 -1.38 114.94 129.02 3bd6 s ASN 376 Ca 0.06 1.16 0.05 0.00 0.21 0.00 0.00 52.86 54.34 3bd6 s ASN 376 Cb -0.15 -2.33 -0.04 0.00 -0.55 0.00 0.00 41.25 38.18 3bd6 s ASN 376 CO 0.03 0.26 0.27 1.41 -2.79 0.00 0.00 177.10 176.29 3bd6 n HIS 377 N 1.92 0.00 -3.52 0.43 8.25 -1.26 -4.20 115.22 116.84 3bd6 n HIS 377 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 3bd6 n HIS 377 Cb 0.51 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 3bd6 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3bd6 s THR 378 N -1.34 0.00 -1.42 1.59 -1.32 -1.26 -4.54 115.64 107.35 3bd6 s THR 378 Ca 0.03 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.64 3bd6 s THR 378 Cb 0.04 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.08 3bd6 s THR 378 CO 0.19 0.00 0.83 1.33 -2.21 0.00 0.00 174.62 174.75 3bd6 n VAL 379 N 0.23 0.00 -1.78 5.08 0.24 -1.26 -4.99 118.33 115.85 3bd6 n VAL 379 Ca -0.11 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 3bd6 n VAL 379 Cb 0.60 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.15 3bd6 n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3bd6 s LEU 380 N -1.48 4.39 0.37 1.34 1.43 -1.26 -4.89 118.68 118.59 3bd6 s LEU 380 Ca 0.13 2.64 0.06 0.00 -1.03 0.00 0.00 54.13 55.93 3bd6 s LEU 380 Cb 0.11 -3.56 0.76 0.00 0.03 0.00 0.00 46.19 43.53 3bd6 s LEU 380 CO 0.25 -0.98 1.99 1.55 0.23 0.00 0.00 176.35 179.39 3bd6 h PRO 381 N 8.89 0.69 0.00 1.29 0.13 -1.98 -2.26 132.00 138.76 3bd6 h PRO 381 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3bd6 h PRO 381 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3bd6 h PRO 381 CO 0.94 0.46 0.00 1.05 -0.23 0.00 0.00 178.00 180.22 3bd6 h GLU 382 N 0.71 0.00 0.00 0.86 9.09 -1.91 -2.84 114.58 120.49 3bd6 h GLU 382 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 3bd6 h GLU 382 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.23 3bd6 h GLU 382 CO -0.07 0.00 -0.91 0.00 0.05 0.00 0.00 179.01 178.07 3bd6 n ALA 383 N -1.83 3.56 -2.29 1.06 0.00 -0.85 -0.74 120.51 119.42 3bd6 n ALA 383 Ca 0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 3bd6 n ALA 383 Cb 0.22 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 3bd6 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bd6 s LEU 384 N -3.67 4.40 -0.32 0.00 1.43 -1.07 -4.31 118.68 115.14 3bd6 s LEU 384 Ca 0.06 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 3bd6 s LEU 384 Cb 0.15 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.80 3bd6 s LEU 384 CO 0.79 -0.45 1.05 -1.61 0.23 0.00 0.00 176.35 176.36 3bd6 s GLU 385 N 0.66 4.06 -0.36 1.70 2.02 -1.26 -4.79 118.70 120.73 3bd6 s GLU 385 Ca 0.57 1.04 0.00 0.00 0.02 0.00 0.00 54.97 56.61 3bd6 s GLU 385 Cb -0.31 -3.73 0.12 0.00 0.10 0.00 0.00 34.13 30.30 3bd6 s GLU 385 CO 0.31 -0.88 0.16 1.03 0.02 0.00 0.00 175.26 175.90 3bd6 s ARG 386 N 3.58 0.88 -0.03 1.61 0.52 -1.26 -1.89 118.95 122.37 3bd6 s ARG 386 Ca 0.44 -1.41 -0.26 0.00 -0.52 0.00 0.00 55.73 53.98 3bd6 s ARG 386 Cb -0.12 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 3bd6 s ARG 386 CO 0.15 -1.07 0.82 -1.58 0.02 0.00 0.00 175.30 173.64 3bd6 s TRP 387 N 1.15 3.63 0.20 -0.53 0.52 -0.75 -4.72 118.94 118.43 3bd6 s TRP 387 Ca 0.13 1.45 -0.33 0.00 0.02 0.00 0.00 56.10 57.38 3bd6 s TRP 387 Cb -0.20 -2.94 -0.13 0.00 -1.15 0.00 0.00 33.47 29.05 3bd6 s TRP 387 CO -0.14 0.06 1.61 -2.30 0.02 0.00 0.00 176.95 176.21 3bd6 n PRO 388 N 3.74 2.40 -0.28 4.98 -0.02 -1.26 -0.19 135.00 144.37 3bd6 n PRO 388 Ca 0.02 0.87 0.12 0.00 -2.02 0.00 0.00 63.50 62.48 3bd6 n PRO 388 Cb 0.51 -2.65 0.37 0.00 -0.02 0.00 0.00 33.50 31.71 3bd6 n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bd6 h VAL 389 N 3.60 0.83 -0.07 -1.45 2.07 -1.44 -2.28 116.25 117.51 3bd6 h VAL 389 Ca -0.44 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3bd6 h VAL 389 Cb 1.24 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3bd6 h VAL 389 CO 0.89 0.13 -0.21 1.12 0.02 0.00 0.00 177.57 179.52 3bd6 h HIS 390 N 0.71 0.12 -0.08 1.57 2.07 -1.90 0.12 115.15 117.75 3bd6 h HIS 390 Ca 0.46 -0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.95 3bd6 h HIS 390 Cb 0.73 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.68 3bd6 h HIS 390 CO -0.00 0.32 -0.01 -0.07 -3.07 0.00 0.00 177.93 175.10 3bd6 h LEU 391 N 0.11 0.15 -1.15 6.12 3.38 -1.79 -2.90 115.31 119.22 3bd6 h LEU 391 Ca 0.02 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3bd6 h LEU 391 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3bd6 h LEU 391 CO 0.03 0.46 -0.13 -0.07 0.09 0.00 0.00 178.44 178.81 3bd6 h LEU 392 N -0.16 0.42 -0.50 1.67 3.38 -1.37 -0.86 115.31 117.89 3bd6 h LEU 392 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3bd6 h LEU 392 Cb 0.38 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3bd6 h LEU 392 CO 0.01 0.58 0.31 -0.08 0.09 0.00 0.00 178.44 179.35 3bd6 h GLU 393 N 0.40 0.67 0.02 1.13 4.81 -0.79 0.98 114.58 121.81 3bd6 h GLU 393 Ca 0.08 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3bd6 h GLU 393 Cb 0.48 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.72 3bd6 h GLU 393 CO 0.03 0.47 -0.25 1.15 -0.73 0.00 0.00 179.01 179.68 3bd6 h THR 394 N 0.67 1.62 0.11 0.32 2.02 -1.32 -3.30 112.91 113.04 3bd6 h THR 394 Ca 0.18 -2.16 -0.27 0.00 0.77 0.00 0.00 66.41 64.94 3bd6 h THR 394 Cb -0.04 3.04 0.03 0.00 -1.74 0.00 0.00 68.15 69.44 3bd6 h THR 394 CO -0.04 0.58 -1.11 0.25 0.37 0.00 0.00 175.52 175.58 3bd6 h LEU 395 N -0.65 0.78 -5.99 2.58 5.85 -1.19 -3.37 115.31 113.31 3bd6 h LEU 395 Ca -0.04 -0.84 -0.54 0.00 0.84 0.00 0.00 57.88 57.30 3bd6 h LEU 395 Cb 1.09 -0.25 -0.40 0.00 0.37 0.00 0.00 40.66 41.48 3bd6 h LEU 395 CO 0.05 1.54 -1.08 0.18 -0.34 0.00 0.00 178.44 178.78 3bd6 n LEU 396 N -3.90 0.71 -0.13 2.25 4.77 0.33 -0.63 117.00 120.40 3bd6 n LEU 396 Ca -0.13 -4.85 0.01 0.00 -0.03 0.00 0.00 56.01 51.01 3bd6 n LEU 396 Cb 0.92 0.53 0.29 0.00 -2.33 0.00 0.00 43.42 42.84 3bd6 n LEU 396 CO 0.55 2.13 1.17 1.55 -1.33 0.00 0.00 177.39 181.46 3bd6 h PRO 397 N 3.74 0.81 -0.26 3.23 0.13 -1.62 -2.03 132.00 136.00 3bd6 h PRO 397 Ca 0.09 -0.07 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 3bd6 h PRO 397 Cb 0.88 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3bd6 h PRO 397 CO 0.51 0.57 -0.50 -0.09 -0.23 0.00 0.00 178.00 178.26 3bd6 h ARG 398 N 0.83 0.71 -0.57 0.86 9.65 -1.91 -2.97 114.38 120.97 3bd6 h ARG 398 Ca 0.22 -0.42 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 3bd6 h ARG 398 Cb -0.03 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3bd6 h ARG 398 CO -0.04 1.04 0.08 0.45 2.80 0.00 0.00 179.97 184.30 3bd6 h HIS 399 N 0.56 0.98 -0.55 2.20 3.86 -1.74 -1.90 115.15 118.56 3bd6 h HIS 399 Ca 0.02 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3bd6 h HIS 399 Cb 1.06 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 3bd6 h HIS 399 CO 0.05 0.84 0.29 1.25 0.86 0.00 0.00 177.93 181.23 3bd6 h LEU 400 N 0.88 0.69 -0.82 2.43 6.46 -1.42 -0.32 115.31 123.20 3bd6 h LEU 400 Ca 0.18 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3bd6 h LEU 400 Cb 0.40 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.12 3bd6 h LEU 400 CO 0.01 0.59 0.54 1.56 -0.62 0.00 0.00 178.44 180.52 3bd6 h GLN 401 N 0.73 1.07 -0.57 1.25 4.20 -1.32 -0.53 115.11 119.95 3bd6 h GLN 401 Ca 0.19 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 3bd6 h GLN 401 Cb 0.06 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3bd6 h GLN 401 CO -0.03 0.71 -0.07 0.82 -0.67 0.00 0.00 178.83 179.59 3bd6 h ILE 402 N 1.11 1.27 -0.66 2.54 2.04 -1.04 -2.15 117.51 120.62 3bd6 h ILE 402 Ca 0.30 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 3bd6 h ILE 402 Cb -0.12 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 3bd6 h ILE 402 CO -0.07 0.44 0.22 0.40 0.00 0.00 0.00 178.15 179.14 3bd6 h ILE 403 N 0.93 1.25 -0.77 -0.67 2.04 -0.68 0.56 117.51 120.17 3bd6 h ILE 403 Ca 0.15 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3bd6 h ILE 403 Cb 0.64 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3bd6 h ILE 403 CO 0.04 0.32 0.51 1.88 0.00 0.00 0.00 178.15 180.91 3bd6 h TYR 404 N 0.95 0.97 -0.42 1.37 0.05 -0.96 -0.62 116.97 118.31 3bd6 h TYR 404 Ca 0.21 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.90 3bd6 h TYR 404 Cb 0.28 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3bd6 h TYR 404 CO 0.02 0.61 -0.19 1.49 -1.05 0.00 0.00 178.16 179.04 3bd6 h GLU 405 N 1.05 0.88 -0.41 4.88 4.57 -1.04 -1.52 114.58 122.98 3bd6 h GLU 405 Ca 0.28 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3bd6 h GLU 405 Cb -0.12 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 3bd6 h GLU 405 CO -0.06 1.02 0.19 0.82 -1.18 0.00 0.00 179.01 179.80 3bd6 h ILE 406 N 0.70 0.95 -0.30 2.32 2.04 -0.71 -2.31 117.51 120.20 3bd6 h ILE 406 Ca 0.10 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.82 3bd6 h ILE 406 Cb 0.76 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3bd6 h ILE 406 CO 0.06 0.07 0.19 -1.13 0.00 0.00 0.00 178.15 177.35 3bd6 h ASN 407 N 0.39 0.35 -0.01 1.72 -1.24 -0.93 -0.55 115.58 115.31 3bd6 h ASN 407 Ca 0.18 -0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.18 3bd6 h ASN 407 Cb 0.11 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3bd6 h ASN 407 CO -0.14 0.27 -0.07 -0.61 -1.29 0.00 0.00 177.43 175.59 3bd6 h GLN 408 N 0.40 -0.12 -0.60 6.67 4.15 -1.16 0.35 115.11 124.80 3bd6 h GLN 408 Ca 0.11 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 3bd6 h GLN 408 Cb -0.03 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3bd6 h GLN 408 CO -0.02 -0.08 0.06 0.00 -1.93 0.00 0.00 178.83 176.85 3bd6 h ARG 409 N -0.13 0.99 -0.09 1.69 3.08 -1.30 -1.23 114.38 117.40 3bd6 h ARG 409 Ca 0.03 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 3bd6 h ARG 409 Cb 0.17 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3bd6 h ARG 409 CO -0.08 0.94 0.03 0.35 -1.07 0.00 0.00 179.97 180.14 3bd6 h PHE 410 N 0.92 0.13 0.00 3.04 3.57 -0.92 -2.81 116.94 120.88 3bd6 h PHE 410 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3bd6 h PHE 410 Cb 0.46 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3bd6 h PHE 410 CO 0.03 0.26 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.07 3bd6 h LEU 411 N -0.03 0.00 -0.99 0.59 3.38 -0.79 -1.34 115.31 116.13 3bd6 h LEU 411 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3bd6 h LEU 411 Cb 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3bd6 h LEU 411 CO -0.00 0.23 0.03 0.78 0.09 0.00 0.00 178.44 179.56 3bd6 h ASN 412 N 0.00 0.72 -0.42 -0.43 -0.26 -1.11 -1.12 115.58 112.96 3bd6 h ASN 412 Ca -0.00 -0.16 -0.13 0.00 -0.56 0.00 0.00 56.30 55.45 3bd6 h ASN 412 Cb 0.51 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 3bd6 h ASN 412 CO 0.03 0.77 -0.21 0.03 -1.06 0.00 0.00 177.43 176.99 3bd6 h ARG 413 N 0.72 0.93 -0.31 0.81 3.08 -1.01 -2.39 114.38 116.21 3bd6 h ARG 413 Ca 0.15 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3bd6 h ARG 413 Cb 0.40 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3bd6 h ARG 413 CO 0.01 1.04 0.08 0.28 -1.07 0.00 0.00 179.97 180.32 3bd6 h VAL 414 N 0.81 1.21 -0.57 2.04 2.07 -1.14 -2.29 116.25 118.39 3bd6 h VAL 414 Ca 0.11 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3bd6 h VAL 414 Cb 0.77 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3bd6 h VAL 414 CO 0.06 0.23 0.31 0.00 0.02 0.00 0.00 177.57 178.19 3bd6 h ALA 415 N 0.92 1.48 -0.00 1.67 0.00 -1.17 0.75 119.26 122.90 3bd6 h ALA 415 Ca 0.10 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3bd6 h ALA 415 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3bd6 h ALA 415 CO -0.00 0.43 -0.70 0.00 0.00 0.00 0.00 179.25 178.99 3bd6 h ALA 416 N 1.56 0.85 0.07 0.00 0.00 -1.32 -2.85 119.26 117.56 3bd6 h ALA 416 Ca 0.20 -0.63 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 3bd6 h ALA 416 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bd6 h ALA 416 CO -0.03 0.86 -1.39 0.00 0.00 0.00 0.00 179.25 178.69 3bd6 h ALA 417 N 1.29 0.35 -2.10 0.00 0.00 -0.80 -3.40 119.26 114.61 3bd6 h ALA 417 Ca -0.01 -1.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.23 3bd6 h ALA 417 Cb 1.23 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 18.79 3bd6 h ALA 417 CO 0.09 1.22 -0.89 1.19 0.00 0.00 0.00 179.25 180.87 3bd6 n PHE 418 N -3.37 1.33 -1.86 0.00 3.72 0.20 -5.10 117.46 112.37 3bd6 n PHE 418 Ca -0.11 -3.81 -0.41 0.00 -0.05 0.00 0.00 57.45 53.06 3bd6 n PHE 418 Cb 1.02 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 3bd6 n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3bd6 s PRO 419 N -1.70 4.17 0.00 -1.08 0.02 -1.08 -2.26 135.00 133.08 3bd6 s PRO 419 Ca 0.37 2.48 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3bd6 s PRO 419 Cb 0.16 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3bd6 s PRO 419 CO -0.07 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 3bd6 n GLY 420 N 2.16 2.54 3.57 0.52 0.00 -1.26 -4.95 105.19 107.78 3bd6 n GLY 420 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 3bd6 n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bd6 s ASP 421 N -3.72 6.85 0.30 1.61 3.68 -0.96 -4.79 116.67 119.65 3bd6 s ASP 421 Ca 0.00 -2.48 0.10 0.00 2.13 0.00 0.00 52.55 52.30 3bd6 s ASP 421 Cb 0.00 -2.57 0.47 0.00 -1.45 0.00 0.00 42.92 39.37 3bd6 s ASP 421 CO 0.00 -1.14 1.69 -0.37 0.13 0.00 0.00 175.17 175.47 3bd6 h VAL 422 N 5.52 1.36 -0.03 1.11 -1.51 -1.92 -2.96 116.25 117.82 3bd6 h VAL 422 Ca 0.44 -1.74 -0.15 0.00 -1.23 0.00 0.00 66.70 64.02 3bd6 h VAL 422 Cb 0.87 1.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.92 3bd6 h VAL 422 CO 1.45 0.50 -0.65 -0.78 -1.23 0.00 0.00 177.57 176.86 3bd6 h ASP 423 N 0.05 0.13 -0.74 4.19 3.58 -2.00 -2.94 116.42 118.70 3bd6 h ASP 423 Ca -0.00 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3bd6 h ASP 423 Cb 0.91 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 3bd6 h ASP 423 CO 0.07 0.75 0.44 -0.09 -2.88 0.00 0.00 179.24 177.53 3bd6 h ARG 424 N 0.08 1.01 -0.48 0.28 2.43 -1.93 -1.00 114.38 114.76 3bd6 h ARG 424 Ca -0.01 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3bd6 h ARG 424 Cb 1.17 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 3bd6 h ARG 424 CO 0.09 0.72 0.21 -0.07 -1.51 0.00 0.00 179.97 179.41 3bd6 h LEU 425 N 1.01 0.27 -0.64 3.80 3.38 -1.45 0.22 115.31 121.90 3bd6 h LEU 425 Ca 0.26 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.15 3bd6 h LEU 425 Cb -0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3bd6 h LEU 425 CO -0.05 0.19 -0.31 0.08 0.09 0.00 0.00 178.44 178.44 3bd6 h ARG 426 N 0.42 0.73 -0.30 1.13 0.11 -1.33 -2.60 114.38 112.53 3bd6 h ARG 426 Ca 0.22 -0.33 -0.09 0.00 0.10 0.00 0.00 59.98 59.88 3bd6 h ARG 426 Cb 0.17 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 3bd6 h ARG 426 CO -0.18 0.94 -0.20 0.00 0.10 0.00 0.00 179.97 180.63 3bd6 h ARG 427 N 0.62 0.55 0.00 0.08 3.08 -0.66 -3.21 114.38 114.83 3bd6 h ARG 427 Ca 0.07 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3bd6 h ARG 427 Cb 0.83 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3bd6 h ARG 427 CO 0.07 0.72 -0.81 -1.33 -1.07 0.00 0.00 179.97 177.54 3bd6 n MET 428 N -4.15 0.22 -1.66 0.04 2.81 0.02 -4.96 117.12 109.43 3bd6 n MET 428 Ca 0.00 0.02 -0.42 0.00 -1.81 0.00 0.00 57.70 55.50 3bd6 n MET 428 Cb 0.38 -1.59 0.01 0.00 -0.71 0.00 0.00 33.22 31.30 3bd6 n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3bd6 n SER 429 N -1.88 2.09 0.18 7.83 2.88 -0.99 -4.88 113.62 118.85 3bd6 n SER 429 Ca 0.03 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 3bd6 n SER 429 Cb 0.41 -1.44 0.28 0.00 -0.75 0.00 0.00 64.21 62.72 3bd6 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3bd6 h LEU 430 N 1.99 0.00 -8.94 2.46 3.38 -1.91 -3.42 115.31 108.87 3bd6 h LEU 430 Ca -0.46 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.89 3bd6 h LEU 430 Cb 1.31 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 3bd6 h LEU 430 CO 0.59 0.37 -0.20 -0.69 0.09 0.00 0.00 178.44 178.60 3bd6 s VAL 431 N -3.43 5.16 -0.20 1.22 1.01 -1.26 -0.34 120.40 122.56 3bd6 s VAL 431 Ca 0.01 0.61 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 3bd6 s VAL 431 Cb 0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3bd6 s VAL 431 CO 0.69 0.14 0.39 -1.61 0.00 0.00 0.00 175.10 174.70 3bd6 s GLU 432 N 2.11 4.18 0.38 2.72 2.02 0.10 -4.97 118.70 125.24 3bd6 s GLU 432 Ca 0.16 0.19 -0.14 0.00 0.02 0.00 0.00 54.97 55.20 3bd6 s GLU 432 Cb -0.16 -3.53 -0.08 0.00 0.10 0.00 0.00 34.13 30.46 3bd6 s GLU 432 CO 0.10 -0.02 0.78 -2.00 0.02 0.00 0.00 175.26 174.14 3bd6 s GLU 433 N 1.26 3.91 0.00 1.61 2.56 -1.26 -2.06 118.70 124.72 3bd6 s GLU 433 Ca 0.19 0.63 0.00 0.00 0.00 0.00 0.00 54.97 55.79 3bd6 s GLU 433 Cb -0.15 -2.38 0.00 0.00 2.00 0.00 0.00 34.13 33.61 3bd6 s GLU 433 CO 0.08 0.03 0.00 0.41 -0.56 0.00 0.00 175.26 175.22 3bd6 n GLY 434 N -0.87 -0.75 0.12 -1.50 0.00 -1.26 -4.94 105.19 95.98 3bd6 n GLY 434 Ca 0.03 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3bd6 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd6 h ALA 435 N 0.00 0.22 -3.26 4.61 0.00 -2.07 -3.38 119.26 115.39 3bd6 h ALA 435 Ca 0.00 0.07 -0.66 0.00 0.00 0.00 0.00 54.91 54.32 3bd6 h ALA 435 Cb 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 17.79 17.62 3bd6 h ALA 435 CO 0.00 -0.42 -0.78 0.14 0.00 0.00 0.00 179.25 178.19 3bd6 s VAL 436 N -6.19 2.89 0.23 0.00 -7.23 -1.26 -5.11 120.40 103.74 3bd6 s VAL 436 Ca -0.13 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3bd6 s VAL 436 Cb 0.11 -2.22 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 3bd6 s VAL 436 CO 0.69 0.52 1.19 -0.54 -0.31 0.00 0.00 175.10 176.65 3bd6 s LYS 437 N 0.57 4.51 0.13 4.82 1.02 -1.26 -4.85 119.74 124.68 3bd6 s LYS 437 Ca -0.09 1.91 0.06 0.00 0.02 0.00 0.00 55.97 57.87 3bd6 s LYS 437 Cb -0.16 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3bd6 s LYS 437 CO 0.03 -0.02 -0.13 1.03 -0.92 0.00 0.00 175.35 175.34 3bd6 s ARG 438 N -0.79 1.03 -0.23 1.68 0.52 -0.87 -1.08 118.95 119.20 3bd6 s ARG 438 Ca 0.50 -1.29 -0.09 0.00 -0.52 0.00 0.00 55.73 54.33 3bd6 s ARG 438 Cb -0.34 -0.84 -0.04 0.00 0.52 0.00 0.00 34.95 34.25 3bd6 s ARG 438 CO 0.40 0.15 0.13 0.42 0.02 0.00 0.00 175.30 176.42 3bd6 s ILE 439 N -2.40 5.08 -0.54 1.52 -1.09 0.74 0.03 121.20 124.53 3bd6 s ILE 439 Ca 0.11 0.08 -0.27 0.00 -2.23 0.00 0.00 60.65 58.34 3bd6 s ILE 439 Cb -0.03 -3.36 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 3bd6 s ILE 439 CO 0.03 0.36 1.08 0.21 -1.23 0.00 0.00 174.94 175.38 3bd6 s ASN 440 N 1.10 6.45 0.38 3.58 3.84 0.54 -1.80 114.94 129.03 3bd6 s ASN 440 Ca 0.06 0.02 0.16 0.00 0.21 0.00 0.00 52.86 53.32 3bd6 s ASN 440 Cb -0.14 -2.50 0.76 0.00 -0.55 0.00 0.00 41.25 38.81 3bd6 s ASN 440 CO 0.04 -1.32 1.80 0.24 -2.79 0.00 0.00 177.10 175.07 3bd6 h MET 441 N 9.37 0.00 -0.57 0.43 2.86 -1.69 -2.50 114.93 122.83 3bd6 h MET 441 Ca -0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 3bd6 h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 3bd6 h MET 441 CO 1.13 0.37 0.03 0.00 1.06 0.00 0.00 176.91 179.50 3bd6 h ALA 442 N 1.63 0.96 -0.41 6.32 0.00 -1.91 -1.43 119.26 124.42 3bd6 h ALA 442 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3bd6 h ALA 442 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3bd6 h ALA 442 CO 0.05 0.63 -0.27 0.45 0.00 0.00 0.00 179.25 180.11 3bd6 h HIS 443 N 0.90 1.00 -0.34 0.00 3.86 -1.86 -2.20 115.15 116.52 3bd6 h HIS 443 Ca 0.17 -0.25 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3bd6 h HIS 443 Cb 0.49 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 3bd6 h HIS 443 CO 0.03 1.03 0.18 1.25 0.86 0.00 0.00 177.93 181.29 3bd6 h LEU 444 N 0.74 0.29 -0.77 2.43 6.46 -1.27 -2.30 115.31 120.90 3bd6 h LEU 444 Ca 0.09 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3bd6 h LEU 444 Cb 0.82 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.66 3bd6 h LEU 444 CO 0.07 0.21 0.47 0.00 -0.62 0.00 0.00 178.44 178.57 3bd6 h ILE 446 N 1.05 1.24 -1.00 0.00 2.04 -1.27 -2.18 117.51 117.38 3bd6 h ILE 446 Ca 0.28 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.43 3bd6 h ILE 446 Cb -0.06 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 3bd6 h ILE 446 CO -0.05 0.22 0.65 0.00 0.00 0.00 0.00 178.15 178.96 3bd6 h ALA 447 N 0.75 1.42 -0.63 1.87 0.00 -1.35 -3.10 119.26 118.22 3bd6 h ALA 447 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bd6 h ALA 447 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3bd6 h ALA 447 CO 0.00 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.09 3bd6 n GLY 448 N -1.37 2.18 3.35 0.00 0.00 -0.72 -4.94 105.19 103.70 3bd6 n GLY 448 Ca 0.16 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 3bd6 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bd6 s SER 449 N -1.13 3.12 0.07 1.61 0.01 -0.83 -3.92 113.70 112.63 3bd6 s SER 449 Ca 0.46 -0.66 0.26 0.00 1.31 0.00 0.00 55.95 57.32 3bd6 s SER 449 Cb 0.24 -0.24 0.74 0.00 0.21 0.00 0.00 66.02 66.97 3bd6 s SER 449 CO 0.32 0.20 1.61 0.00 0.41 0.00 0.00 173.24 175.79 3bd6 n HIS 450 N 1.36 0.33 -3.80 2.43 1.44 -0.76 -4.83 115.22 111.39 3bd6 n HIS 450 Ca -0.18 0.10 -0.13 0.00 -2.01 0.00 0.00 57.72 55.50 3bd6 n HIS 450 Cb 0.53 -0.56 -0.13 0.00 0.12 0.00 0.00 29.99 29.94 3bd6 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bd6 s ALA 451 N -3.06 -0.31 -0.09 1.59 0.00 -1.26 -4.56 121.76 114.07 3bd6 s ALA 451 Ca 0.11 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.56 3bd6 s ALA 451 Cb 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3bd6 s ALA 451 CO 0.64 -0.10 -0.09 0.08 0.00 0.00 0.00 175.76 176.29 3bd6 s VAL 452 N 0.48 1.02 0.03 0.00 1.01 0.68 -1.25 120.40 122.36 3bd6 s VAL 452 Ca -0.03 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3bd6 s VAL 452 Cb -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 3bd6 s VAL 452 CO -0.02 0.35 -0.17 0.54 0.00 0.00 0.00 175.10 175.80 3bd6 s ASN 453 N 1.25 2.02 0.72 3.32 4.22 -0.59 -0.27 114.94 125.60 3bd6 s ASN 453 Ca -0.04 -0.44 -0.01 0.00 -2.14 0.00 0.00 52.86 50.23 3bd6 s ASN 453 Cb -0.14 -0.17 0.12 0.00 1.28 0.00 0.00 41.25 42.35 3bd6 s ASN 453 CO -0.03 0.12 0.99 -0.83 -2.04 0.00 0.00 177.10 175.31 3bd6 s GLY 454 N -0.98 1.76 0.00 0.45 0.00 -1.05 -1.25 107.32 106.24 3bd6 s GLY 454 Ca 0.05 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.17 3bd6 s GLY 454 CO 0.01 -1.12 1.02 3.33 0.00 0.00 0.00 173.10 176.34 3bd6 n VAL 455 N -2.83 0.65 -3.51 1.40 0.24 -1.26 -2.01 118.33 111.01 3bd6 n VAL 455 Ca 0.14 -0.82 -0.12 0.00 -2.04 0.00 0.00 64.34 61.50 3bd6 n VAL 455 Cb 0.60 0.73 -0.04 0.00 -1.47 0.00 0.00 33.84 33.67 3bd6 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bd6 s ALA 456 N -0.87 -1.79 0.18 2.33 0.00 -1.26 -0.82 121.76 119.54 3bd6 s ALA 456 Ca 0.13 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 3bd6 s ALA 456 Cb 0.07 0.13 0.18 0.00 0.00 0.00 0.00 23.12 23.50 3bd6 s ALA 456 CO 0.10 -0.52 1.70 -0.09 0.00 0.00 0.00 175.76 176.95 3bd6 h ARG 457 N 2.42 0.17 -0.64 0.00 2.43 -1.90 0.03 114.38 116.89 3bd6 h ARG 457 Ca -0.25 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.86 3bd6 h ARG 457 Cb 1.21 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 3bd6 h ARG 457 CO 0.35 0.11 0.21 0.97 -1.51 0.00 0.00 179.97 180.10 3bd6 h ILE 458 N 0.18 1.24 -0.14 1.20 2.10 -1.90 -1.80 117.51 118.38 3bd6 h ILE 458 Ca 0.24 -0.81 -0.02 0.00 1.08 0.00 0.00 64.86 65.35 3bd6 h ILE 458 Cb 0.34 0.52 -0.00 0.00 -1.09 0.00 0.00 36.82 36.59 3bd6 h ILE 458 CO -0.35 0.32 -0.01 -0.74 -1.08 0.00 0.00 178.15 176.28 3bd6 h HIS 459 N 0.94 0.28 -0.36 2.19 2.76 -1.49 -1.22 115.15 118.25 3bd6 h HIS 459 Ca 0.21 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3bd6 h HIS 459 Cb 0.26 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3bd6 h HIS 459 CO 0.02 0.50 0.09 0.77 -1.30 0.00 0.00 177.93 178.01 3bd6 h SER 460 N -0.02 0.48 -0.33 3.26 0.02 -0.89 -1.37 113.55 114.70 3bd6 h SER 460 Ca 0.04 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3bd6 h SER 460 Cb 0.39 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3bd6 h SER 460 CO 0.01 0.49 -0.16 -0.33 -1.14 0.00 0.00 176.83 175.70 3bd6 h GLU 461 N 0.52 0.68 -0.99 3.45 4.39 -1.22 -2.92 114.58 118.49 3bd6 h GLU 461 Ca 0.12 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.58 3bd6 h GLU 461 Cb 0.19 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 3bd6 h GLU 461 CO -0.00 0.89 0.64 0.82 -1.16 0.00 0.00 179.01 180.20 3bd6 h ILE 462 N 0.45 1.13 -0.75 3.13 2.04 -0.68 -1.43 117.51 121.40 3bd6 h ILE 462 Ca 0.07 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3bd6 h ILE 462 Cb 0.69 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 3bd6 h ILE 462 CO 0.05 0.22 0.49 -0.07 0.00 0.00 0.00 178.15 178.84 3bd6 h LEU 463 N 1.20 0.85 -0.46 1.44 3.38 -1.20 0.16 115.31 120.68 3bd6 h LEU 463 Ca 0.41 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 3bd6 h LEU 463 Cb 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3bd6 h LEU 463 CO -0.14 0.61 -0.58 0.11 0.09 0.00 0.00 178.44 178.52 3bd6 h LYS 464 N 1.00 0.00 0.00 1.13 1.57 -1.24 -1.41 116.57 117.62 3bd6 h LYS 464 Ca 0.28 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.74 3bd6 h LYS 464 Cb -0.09 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.16 3bd6 h LYS 464 CO -0.07 0.58 -1.96 1.63 -0.57 0.00 0.00 179.45 179.06 3bd6 n LYS 465 N -3.46 0.65 0.00 3.15 5.02 -0.58 -3.86 118.16 119.08 3bd6 n LYS 465 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3bd6 n LYS 465 Cb 0.68 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3bd6 n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bd6 n THR 466 N -2.94 0.00 0.17 -0.18 -2.24 0.54 -4.71 114.28 104.91 3bd6 n THR 466 Ca -0.23 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.58 3bd6 n THR 466 Cb 1.09 -0.06 0.42 0.00 -2.10 0.00 0.00 70.33 69.68 3bd6 n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 3bd6 h ILE 467 N 0.00 1.18 -0.20 2.28 3.07 -1.68 -2.64 117.51 119.52 3bd6 h ILE 467 Ca 0.00 -0.84 -0.05 0.00 1.55 0.00 0.00 64.86 65.52 3bd6 h ILE 467 Cb 0.00 1.36 -0.03 0.00 -0.27 0.00 0.00 36.82 37.88 3bd6 h ILE 467 CO 0.00 0.25 -0.06 0.49 -1.05 0.00 0.00 178.15 177.78 3bd6 n PHE 468 N -4.25 0.68 -0.21 0.16 0.99 -0.54 -4.80 117.46 109.49 3bd6 n PHE 468 Ca -0.02 -1.17 0.02 0.00 -0.00 0.00 0.00 57.45 56.28 3bd6 n PHE 468 Cb 0.29 -0.32 0.12 0.00 -1.00 0.00 0.00 39.48 38.57 3bd6 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3bd6 h LYS 469 N 1.07 0.22 -0.75 -1.08 3.64 -1.43 -0.83 116.57 117.41 3bd6 h LYS 469 Ca 0.06 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3bd6 h LYS 469 Cb 1.36 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 3bd6 h LYS 469 CO 0.20 0.15 0.50 -0.44 -2.27 0.00 0.00 179.45 177.59 3bd6 h ASP 470 N 0.23 0.86 -0.32 4.20 3.32 -1.87 -1.44 116.42 121.40 3bd6 h ASP 470 Ca 0.34 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.23 3bd6 h ASP 470 Cb 0.53 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3bd6 h ASP 470 CO -0.45 0.62 -0.32 -0.26 -1.72 0.00 0.00 179.24 177.11 3bd6 h PHE 471 N 1.02 0.99 -0.71 4.55 0.04 -1.78 -2.37 116.94 118.67 3bd6 h PHE 471 Ca 0.28 -0.27 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3bd6 h PHE 471 Cb -0.11 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3bd6 h PHE 471 CO -0.02 1.05 0.28 -0.92 -0.60 0.00 0.00 178.31 178.09 3bd6 h TYR 472 N 0.71 1.08 -0.49 -0.55 3.20 -0.85 0.42 116.97 120.49 3bd6 h TYR 472 Ca 0.08 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3bd6 h TYR 472 Cb 0.87 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3bd6 h TYR 472 CO 0.05 0.82 -0.03 0.93 -1.64 0.00 0.00 178.16 178.29 3bd6 h GLU 473 N 1.04 0.84 -0.07 1.82 5.08 -1.12 -1.73 114.58 120.44 3bd6 h GLU 473 Ca 0.24 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3bd6 h GLU 473 Cb 0.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3bd6 h GLU 473 CO -0.02 0.86 -0.33 1.25 -1.00 0.00 0.00 179.01 179.77 3bd6 h LEU 474 N 0.77 0.41 -6.31 1.33 5.85 -1.11 -3.41 115.31 112.85 3bd6 h LEU 474 Ca 0.14 -0.65 -0.58 0.00 0.84 0.00 0.00 57.88 57.63 3bd6 h LEU 474 Cb 0.51 -0.12 -0.39 0.00 0.37 0.00 0.00 40.66 41.03 3bd6 h LEU 474 CO 0.03 0.99 -0.96 -0.62 -0.34 0.00 0.00 178.44 177.54 3bd6 n GLU 475 N -4.41 0.61 0.12 1.25 1.02 0.11 -4.99 120.64 114.35 3bd6 n GLU 475 Ca -0.08 -3.38 0.03 0.00 -0.02 0.00 0.00 57.16 53.71 3bd6 n GLU 475 Cb 0.51 -1.62 0.42 0.00 -0.02 0.00 0.00 31.44 30.72 3bd6 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3bd6 h PRO 476 N 5.05 0.25 0.00 3.49 0.13 -1.52 -2.79 132.00 136.61 3bd6 h PRO 476 Ca 0.20 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3bd6 h PRO 476 Cb 0.87 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 3bd6 h PRO 476 CO 0.45 0.34 -0.01 1.12 -0.23 0.00 0.00 178.00 179.67 3bd6 h HIS 477 N 0.24 0.00 0.00 1.56 2.07 -1.94 -2.66 115.15 114.42 3bd6 h HIS 477 Ca 0.05 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.47 3bd6 h HIS 477 Cb 0.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.25 3bd6 h HIS 477 CO 0.00 0.01 -0.50 -0.22 -3.07 0.00 0.00 177.93 174.16 3bd6 h LYS 478 N 0.00 0.00 -5.65 5.12 3.64 -1.73 -3.46 116.57 114.49 3bd6 h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 3bd6 h LYS 478 Cb 0.10 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 3bd6 h LYS 478 CO 0.00 0.50 -0.04 -0.06 -2.27 0.00 0.00 179.45 177.58 3bd6 s PHE 479 N -3.35 3.43 0.22 1.91 0.08 -1.01 -0.23 117.98 119.03 3bd6 s PHE 479 Ca 0.01 0.86 0.02 0.00 0.12 0.00 0.00 56.93 57.94 3bd6 s PHE 479 Cb 0.10 -2.66 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 3bd6 s PHE 479 CO 0.72 -0.01 0.05 -0.65 -0.10 0.00 0.00 175.22 175.23 3bd6 s GLN 480 N 1.30 1.28 -0.05 0.44 -0.21 0.62 -4.96 119.66 118.09 3bd6 s GLN 480 Ca 0.26 -1.66 0.04 0.00 0.02 0.00 0.00 55.36 54.02 3bd6 s GLN 480 Cb -0.15 -0.29 -0.02 0.00 1.00 0.00 0.00 33.01 33.54 3bd6 s GLN 480 CO 0.10 -0.21 -0.17 1.21 -2.12 0.00 0.00 175.29 174.10 3bd6 s ASN 481 N -3.26 3.81 -0.34 5.90 3.04 -1.26 -2.54 114.94 120.29 3bd6 s ASN 481 Ca 0.32 -0.27 -0.01 0.00 0.04 0.00 0.00 52.86 52.94 3bd6 s ASN 481 Cb 0.07 -0.82 0.12 0.00 -1.54 0.00 0.00 41.25 39.08 3bd6 s ASN 481 CO 0.09 0.32 0.17 -0.54 -3.04 0.00 0.00 177.10 174.11 3bd6 s LYS 482 N -0.59 0.56 0.24 0.43 -0.14 -0.85 -4.95 119.74 114.44 3bd6 s LYS 482 Ca 0.09 -1.15 -0.31 0.00 -1.36 0.00 0.00 55.97 53.24 3bd6 s LYS 482 Cb -0.11 -1.50 -0.12 0.00 -1.68 0.00 0.00 37.83 34.43 3bd6 s LYS 482 CO 0.01 -1.12 1.66 0.99 -0.76 0.00 0.00 175.35 176.13 3bd6 s THR 483 N 1.36 2.09 1.07 2.17 2.01 -1.26 -4.26 115.64 118.82 3bd6 s THR 483 Ca 0.14 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 3bd6 s THR 483 Cb -0.20 -3.04 0.19 0.00 0.01 0.00 0.00 72.50 69.45 3bd6 s THR 483 CO -0.14 0.01 0.81 0.59 -0.69 0.00 0.00 174.62 175.20 3bd6 n ASN 484 N 3.20 -1.32 -3.57 3.53 5.03 -0.00 -4.65 115.26 117.47 3bd6 n ASN 484 Ca 0.12 0.07 -0.10 0.00 0.87 0.00 0.00 54.58 55.54 3bd6 n ASN 484 Cb 0.36 -1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 37.83 3bd6 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3bd6 s GLY 485 N -2.33 0.58 0.09 7.41 0.00 -1.26 -4.82 107.32 106.99 3bd6 s GLY 485 Ca 0.65 -0.88 0.05 0.00 0.00 0.00 0.00 44.72 44.54 3bd6 s GLY 485 CO 0.64 -0.53 -0.13 -0.26 0.00 0.00 0.00 173.10 172.82 3bd6 s ILE 486 N -3.41 1.12 -0.10 0.90 -4.36 0.04 -4.52 121.20 110.86 3bd6 s ILE 486 Ca 0.20 -1.51 -0.30 0.00 -0.26 0.00 0.00 60.65 58.78 3bd6 s ILE 486 Cb -0.03 -1.27 -0.01 0.00 1.25 0.00 0.00 42.46 42.40 3bd6 s ILE 486 CO 0.12 -0.38 1.03 0.28 0.24 0.00 0.00 174.94 176.23 3bd6 s THR 487 N -1.85 4.71 -1.33 8.37 -1.32 -1.26 -0.87 115.64 122.10 3bd6 s THR 487 Ca 0.03 1.99 0.21 0.00 -1.21 0.00 0.00 61.69 62.71 3bd6 s THR 487 Cb -0.07 -4.28 0.33 0.00 -1.51 0.00 0.00 72.50 66.97 3bd6 s THR 487 CO 0.02 -0.00 1.69 -0.81 -2.21 0.00 0.00 174.62 173.30 3bd6 n PRO 488 N 5.08 0.23 0.14 7.08 -0.04 -1.26 -1.74 135.00 144.49 3bd6 n PRO 488 Ca 0.09 0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.59 3bd6 n PRO 488 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 3bd6 n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bd6 h ARG 489 N 0.00 -0.38 -0.68 0.54 -0.00 -1.91 -2.46 114.38 109.49 3bd6 h ARG 489 Ca 0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.46 3bd6 h ARG 489 Cb 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.27 3bd6 h ARG 489 CO 0.00 -0.25 0.26 -0.09 0.00 0.00 0.00 179.97 179.89 3bd6 h ARG 490 N -0.70 1.02 -0.54 0.04 2.43 -1.97 0.17 114.38 114.83 3bd6 h ARG 490 Ca -0.04 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3bd6 h ARG 490 Cb 0.30 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3bd6 h ARG 490 CO 0.07 0.85 0.00 0.91 -1.51 0.00 0.00 179.97 180.29 3bd6 n TRP 491 N -4.38 0.72 0.09 2.20 7.02 -0.71 -2.87 117.44 119.50 3bd6 n TRP 491 Ca 0.05 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.17 3bd6 n TRP 491 Cb 0.18 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 3bd6 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3bd6 n LEU 492 N 1.19 -0.16 -0.02 -0.99 7.94 -0.96 -4.79 117.00 119.21 3bd6 n LEU 492 Ca 0.19 0.31 -0.11 0.00 -1.11 0.00 0.00 56.01 55.29 3bd6 n LEU 492 Cb 0.49 0.30 -0.05 0.00 0.53 0.00 0.00 43.42 44.69 3bd6 n LEU 492 CO 0.14 -0.66 0.87 0.58 -1.11 0.00 0.00 177.39 177.20 3bd6 h VAL 493 N 0.00 1.10 0.22 1.96 2.07 -1.18 0.23 116.25 120.65 3bd6 h VAL 493 Ca 0.00 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3bd6 h VAL 493 Cb 0.00 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3bd6 h VAL 493 CO 0.00 0.09 -0.11 0.25 0.02 0.00 0.00 177.57 177.82 3bd6 h LEU 494 N 0.09 -0.25 0.00 2.57 6.46 -1.11 -3.22 115.31 119.85 3bd6 h LEU 494 Ca 0.04 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 3bd6 h LEU 494 Cb 0.08 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 3bd6 h LEU 494 CO -0.01 0.14 -0.62 0.00 -0.62 0.00 0.00 178.44 177.34 3bd6 n ASN 496 N -2.87 1.31 -0.10 0.00 2.85 0.80 -4.86 115.26 112.39 3bd6 n ASN 496 Ca 0.01 -3.01 0.00 0.00 -0.11 0.00 0.00 54.58 51.48 3bd6 n ASN 496 Cb 0.56 -0.63 0.29 0.00 1.24 0.00 0.00 39.78 41.24 3bd6 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3bd6 h PRO 497 N 3.53 0.75 -0.82 1.20 0.13 -1.66 -1.91 132.00 133.22 3bd6 h PRO 497 Ca 0.10 -0.09 0.10 0.00 -0.87 0.00 0.00 66.00 65.24 3bd6 h PRO 497 Cb 0.85 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 31.76 3bd6 h PRO 497 CO 0.56 0.58 0.46 0.78 -0.23 0.00 0.00 178.00 180.15 3bd6 h GLY 498 N 0.85 1.27 1.22 1.56 0.00 -1.91 -0.91 103.07 105.16 3bd6 h GLY 498 Ca 0.19 -0.30 -0.29 0.00 0.00 0.00 0.00 47.33 46.93 3bd6 h GLY 498 CO -0.03 0.11 -1.17 -2.00 0.00 0.00 0.00 176.54 173.46 3bd6 h LEU 499 N 0.77 0.90 -1.38 3.11 5.85 -1.83 -3.02 115.31 119.72 3bd6 h LEU 499 Ca 0.40 -0.79 0.07 0.00 0.84 0.00 0.00 57.88 58.40 3bd6 h LEU 499 Cb 0.38 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3bd6 h LEU 499 CO -0.26 1.59 0.48 0.00 -0.34 0.00 0.00 178.44 179.91 3bd6 h ALA 500 N 0.33 1.70 -0.02 1.25 0.00 -1.07 -2.38 119.26 119.07 3bd6 h ALA 500 Ca -0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3bd6 h ALA 500 Cb 1.83 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3bd6 h ALA 500 CO 0.23 0.18 -0.10 1.49 0.00 0.00 0.00 179.25 181.04 3bd6 h GLU 501 N 0.76 0.11 0.00 0.00 4.57 -1.19 -1.43 114.58 117.40 3bd6 h GLU 501 Ca 0.32 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 3bd6 h GLU 501 Cb 0.27 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3bd6 h GLU 501 CO -0.11 0.74 -0.17 -0.84 -1.18 0.00 0.00 179.01 177.45 3bd6 h ILE 502 N -0.49 1.00 -0.12 2.32 3.07 -1.46 -0.23 117.51 121.60 3bd6 h ILE 502 Ca -0.01 -0.61 -0.07 0.00 1.55 0.00 0.00 64.86 65.72 3bd6 h ILE 502 Cb 0.75 1.34 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 3bd6 h ILE 502 CO 0.02 0.17 -0.21 0.40 -1.05 0.00 0.00 178.15 177.48 3bd6 h ILE 503 N 0.00 1.38 -0.33 0.16 2.04 -1.43 -3.27 117.51 116.06 3bd6 h ILE 503 Ca -0.00 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 3bd6 h ILE 503 Cb 0.33 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3bd6 h ILE 503 CO 0.02 0.43 0.10 0.00 0.00 0.00 0.00 178.15 178.70 3bd6 h ALA 504 N 0.54 1.56 -0.71 1.87 0.00 -0.56 -1.59 119.26 120.37 3bd6 h ALA 504 Ca 0.01 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.88 3bd6 h ALA 504 Cb 0.79 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 3bd6 h ALA 504 CO 0.05 0.34 0.47 0.93 0.00 0.00 0.00 179.25 181.03 3bd6 h GLU 505 N 0.47 0.66 0.02 0.00 5.08 -1.11 0.26 114.58 119.97 3bd6 h GLU 505 Ca 0.11 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 3bd6 h GLU 505 Cb 0.15 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3bd6 h GLU 505 CO -0.01 0.44 -1.34 0.00 -1.00 0.00 0.00 179.01 177.10 3bd6 h ARG 506 N 0.68 0.05 -0.05 2.33 2.47 -1.48 -3.43 114.38 114.96 3bd6 h ARG 506 Ca 0.32 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3bd6 h ARG 506 Cb 0.36 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 3bd6 h ARG 506 CO -0.11 1.04 0.00 0.44 0.56 0.00 0.00 179.97 181.90 3bd6 n ILE 507 N -4.29 0.32 -2.47 2.04 -5.35 -0.66 -5.12 119.36 103.84 3bd6 n ILE 507 Ca -0.31 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 3bd6 n ILE 507 Cb 0.74 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3bd6 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bd6 n GLY 508 N 0.14 -1.91 0.31 3.28 0.00 0.08 -4.66 105.19 102.44 3bd6 n GLY 508 Ca 0.03 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.48 3bd6 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bd6 n GLU 509 N 0.00 1.48 0.29 1.61 1.02 -1.26 -4.15 120.64 119.63 3bd6 n GLU 509 Ca 0.00 -0.66 0.15 0.00 -0.02 0.00 0.00 57.16 56.63 3bd6 n GLU 509 Cb 0.00 -1.33 0.86 0.00 -0.02 0.00 0.00 31.44 30.95 3bd6 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3bd6 h GLU 510 N 1.52 0.00 0.00 3.49 5.08 -1.96 -2.80 114.58 119.91 3bd6 h GLU 510 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3bd6 h GLU 510 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3bd6 h GLU 510 CO 0.00 0.05 -0.12 0.10 -1.00 0.00 0.00 179.01 178.04 3bd6 h TYR 511 N 0.00 0.00 -0.31 4.33 -0.00 -1.80 -2.61 116.97 116.58 3bd6 h TYR 511 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 3bd6 h TYR 511 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.86 3bd6 h TYR 511 CO 0.00 0.12 0.21 0.82 -0.00 0.00 0.00 178.16 179.31 3bd6 h ILE 512 N 0.00 1.01 -0.14 -0.90 2.04 -1.85 -1.38 117.51 116.29 3bd6 h ILE 512 Ca -0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3bd6 h ILE 512 Cb 0.32 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3bd6 h ILE 512 CO 0.02 0.06 0.00 -1.54 0.00 0.00 0.00 178.15 176.68 3bd6 n SER 513 N -4.49 2.79 -2.87 1.72 3.41 -1.10 -4.67 113.62 108.42 3bd6 n SER 513 Ca 0.03 -2.56 -0.12 0.00 -0.26 0.00 0.00 58.87 55.95 3bd6 n SER 513 Cb 0.15 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3bd6 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bd6 n ASP 514 N -0.54 -2.21 0.29 4.04 4.64 -0.60 -5.03 116.55 117.14 3bd6 n ASP 514 Ca 0.12 -3.11 0.19 0.00 -1.38 0.00 0.00 54.79 50.62 3bd6 n ASP 514 Cb 0.56 1.21 0.99 0.00 -1.04 0.00 0.00 41.12 42.84 3bd6 n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 3bd6 h LEU 515 N 4.15 0.00 -2.80 -2.67 5.85 -1.64 -1.73 115.31 116.48 3bd6 h LEU 515 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3bd6 h LEU 515 Cb 1.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 3bd6 h LEU 515 CO 0.33 0.00 0.05 0.44 -0.34 0.00 0.00 178.44 178.92 3bd6 h ASP 516 N 0.00 0.00 0.61 1.25 3.32 -1.85 -1.88 116.42 117.86 3bd6 h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3bd6 h ASP 516 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3bd6 h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 3bd6 h GLN 517 N 0.00 0.00 -0.02 3.56 4.20 -1.64 -2.66 115.11 118.55 3bd6 h GLN 517 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3bd6 h GLN 517 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3bd6 h GLN 517 CO -0.00 0.00 0.08 -0.07 -0.67 0.00 0.00 178.83 178.17 3bd6 h LEU 518 N 0.00 0.00 -1.99 1.46 3.38 -1.58 -1.64 115.31 114.94 3bd6 h LEU 518 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3bd6 h LEU 518 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3bd6 h LEU 518 CO 0.00 0.00 0.23 0.03 0.09 0.00 0.00 178.44 178.79 3bd6 h ARG 519 N 0.00 0.01 -0.14 1.13 3.08 -1.07 -0.41 114.38 116.98 3bd6 h ARG 519 Ca 0.01 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3bd6 h ARG 519 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3bd6 h ARG 519 CO -0.00 0.00 0.27 0.87 -1.07 0.00 0.00 179.97 180.04 3bd6 h LYS 520 N 0.01 0.00 0.00 0.04 1.57 -1.55 -1.52 116.57 115.12 3bd6 h LYS 520 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3bd6 h LYS 520 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3bd6 h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3bd6 n LEU 521 N -3.37 0.64 0.26 2.94 4.77 -0.16 -2.94 117.00 119.14 3bd6 n LEU 521 Ca 0.01 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.70 3bd6 n LEU 521 Cb 0.37 -0.52 0.64 0.00 -2.33 0.00 0.00 43.42 41.58 3bd6 n LEU 521 CO 0.22 -0.46 1.05 -0.07 -1.33 0.00 0.00 177.39 176.80 3bd6 h LEU 522 N 0.00 0.00 0.00 2.23 4.07 -1.46 -1.07 115.31 119.08 3bd6 h LEU 522 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3bd6 h LEU 522 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3bd6 h LEU 522 CO 0.00 0.02 0.00 -1.54 -1.08 0.00 0.00 178.44 175.84 3bd6 n SER 523 N -4.46 0.00 -0.24 -0.43 3.41 -1.15 -2.88 113.62 107.87 3bd6 n SER 523 Ca -0.03 -1.15 0.02 0.00 -0.26 0.00 0.00 58.87 57.46 3bd6 n SER 523 Cb 0.11 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 3bd6 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3bd6 n TYR 524 N -0.79 0.10 0.28 7.33 4.01 -0.41 -4.69 117.16 122.99 3bd6 n TYR 524 Ca 0.11 -0.25 0.15 0.00 -0.16 0.00 0.00 57.90 57.75 3bd6 n TYR 524 Cb 0.05 -0.02 0.81 0.00 -0.31 0.00 0.00 39.34 39.87 3bd6 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3bd6 h VAL 525 N 0.93 0.45 -0.23 -0.72 3.04 -1.58 -1.60 116.25 116.54 3bd6 h VAL 525 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 3bd6 h VAL 525 Cb 0.40 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3bd6 h VAL 525 CO 0.00 0.08 0.00 0.47 -1.01 0.00 0.00 177.57 177.11 3bd6 n ASP 526 N -3.57 2.74 -4.62 3.17 10.43 -1.26 -4.87 116.55 118.58 3bd6 n ASP 526 Ca -0.02 -1.81 -0.43 0.00 2.57 0.00 0.00 54.79 55.10 3bd6 n ASP 526 Cb 0.20 -0.15 -0.02 0.00 1.84 0.00 0.00 41.12 42.99 3bd6 n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3bd6 s ASP 527 N -1.14 6.71 0.37 -2.24 3.68 -0.60 -4.92 116.67 118.53 3bd6 s ASP 527 Ca 0.24 0.88 0.12 0.00 2.13 0.00 0.00 52.55 55.92 3bd6 s ASP 527 Cb 0.14 -2.54 0.73 0.00 -1.45 0.00 0.00 42.92 39.81 3bd6 s ASP 527 CO 0.20 -1.11 1.85 -0.08 0.13 0.00 0.00 175.17 176.16 3bd6 h GLU 528 N 9.01 0.06 -0.14 4.34 4.57 -1.92 -1.34 114.58 129.17 3bd6 h GLU 528 Ca -0.23 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 3bd6 h GLU 528 Cb 1.07 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3bd6 h GLU 528 CO 1.07 0.38 -0.02 0.00 -1.18 0.00 0.00 179.01 179.25 3bd6 h ALA 529 N 1.63 0.19 -0.29 2.92 0.00 -1.95 -2.65 119.26 119.11 3bd6 h ALA 529 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3bd6 h ALA 529 Cb 0.59 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3bd6 h ALA 529 CO 0.04 -0.07 0.10 0.35 0.00 0.00 0.00 179.25 179.67 3bd6 h PHE 530 N -0.03 0.45 -0.62 0.00 -0.00 -1.80 -1.76 116.94 113.17 3bd6 h PHE 530 Ca 0.04 -0.04 0.12 0.00 -0.00 0.00 0.00 57.97 58.09 3bd6 h PHE 530 Cb 0.43 -0.13 -0.09 0.00 -0.00 0.00 0.00 35.95 36.16 3bd6 h PHE 530 CO 0.05 0.47 0.12 0.82 -0.00 0.00 0.00 178.31 179.77 3bd6 h ILE 531 N 0.31 0.61 -0.59 1.41 2.04 -1.31 0.33 117.51 120.30 3bd6 h ILE 531 Ca 0.09 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 3bd6 h ILE 531 Cb 0.22 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3bd6 h ILE 531 CO -0.00 0.05 0.15 -0.09 0.00 0.00 0.00 178.15 178.25 3bd6 h ARG 532 N 0.25 0.94 -0.28 2.37 2.43 -1.25 -2.53 114.38 116.31 3bd6 h ARG 532 Ca 0.33 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.18 3bd6 h ARG 532 Cb 0.51 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3bd6 h ARG 532 CO -0.43 0.86 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.24 3bd6 h ASP 533 N 0.85 0.66 -0.30 -3.80 3.32 -0.61 -0.53 116.42 116.00 3bd6 h ASP 533 Ca 0.19 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.83 3bd6 h ASP 533 Cb 0.34 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3bd6 h ASP 533 CO 0.00 0.96 0.06 0.58 -1.72 0.00 0.00 179.24 179.12 3bd6 h VAL 534 N 0.36 0.86 -0.32 -1.35 2.07 -0.95 0.04 116.25 116.96 3bd6 h VAL 534 Ca 0.05 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3bd6 h VAL 534 Cb 0.75 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3bd6 h VAL 534 CO 0.05 0.03 -0.11 0.00 0.02 0.00 0.00 177.57 177.57 3bd6 h ALA 535 N 1.22 1.22 -0.33 1.67 0.00 -1.40 -2.48 119.26 119.17 3bd6 h ALA 535 Ca 0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3bd6 h ALA 535 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3bd6 h ALA 535 CO -0.18 0.51 0.05 -0.22 0.00 0.00 0.00 179.25 179.41 3bd6 h LYS 536 N 0.50 0.55 -0.89 0.00 3.64 -0.64 -2.06 116.57 117.67 3bd6 h LYS 536 Ca 0.09 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3bd6 h LYS 536 Cb 0.49 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3bd6 h LYS 536 CO 0.03 0.63 0.58 0.28 -2.27 0.00 0.00 179.45 178.70 3bd6 h VAL 537 N 0.38 1.23 -0.23 2.00 2.07 -0.80 -1.39 116.25 119.51 3bd6 h VAL 537 Ca 0.10 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3bd6 h VAL 537 Cb 0.35 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3bd6 h VAL 537 CO 0.01 0.23 0.05 0.50 0.02 0.00 0.00 177.57 178.38 3bd6 h LYS 538 N 1.21 0.38 -0.56 1.57 1.63 -1.37 -1.63 116.57 117.79 3bd6 h LYS 538 Ca 0.32 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 60.05 3bd6 h LYS 538 Cb -0.12 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.43 3bd6 h LYS 538 CO -0.07 0.50 0.34 0.37 -3.45 0.00 0.00 179.45 177.14 3bd6 h GLN 539 N 0.20 0.67 -0.57 1.90 5.75 -1.13 -0.14 115.11 121.78 3bd6 h GLN 539 Ca 0.07 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.57 3bd6 h GLN 539 Cb 0.29 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3bd6 h GLN 539 CO 0.00 0.44 0.32 0.93 -2.65 0.00 0.00 178.83 177.87 3bd6 h GLU 540 N 0.69 0.61 -0.84 1.69 5.08 -1.20 0.38 114.58 120.99 3bd6 h GLU 540 Ca 0.22 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3bd6 h GLU 540 Cb -0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 3bd6 h GLU 540 CO -0.09 0.40 0.46 -0.91 -1.00 0.00 0.00 179.01 177.87 3bd6 h ASN 541 N 0.62 1.05 -0.41 1.42 2.35 -0.84 -1.10 115.58 118.67 3bd6 h ASN 541 Ca 0.24 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 3bd6 h ASN 541 Cb 0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3bd6 h ASN 541 CO -0.13 0.85 -0.25 0.11 -1.65 0.00 0.00 177.43 176.35 3bd6 h LYS 542 N 1.16 0.93 -0.35 0.81 1.57 -0.59 -1.49 116.57 118.61 3bd6 h LYS 542 Ca 0.29 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3bd6 h LYS 542 Cb 0.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3bd6 h LYS 542 CO -0.05 1.07 0.08 -0.07 -0.57 0.00 0.00 179.45 179.91 3bd6 h LEU 543 N 0.79 0.54 -0.91 2.94 3.38 -0.76 0.01 115.31 121.31 3bd6 h LEU 543 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3bd6 h LEU 543 Cb 0.82 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3bd6 h LEU 543 CO 0.07 0.64 0.58 0.50 0.09 0.00 0.00 178.44 180.32 3bd6 h LYS 544 N 0.42 1.21 -0.04 1.13 3.64 -1.12 -0.70 116.57 121.12 3bd6 h LYS 544 Ca 0.11 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 3bd6 h LYS 544 Cb 0.31 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3bd6 h LYS 544 CO 0.00 0.82 -0.84 0.35 -2.27 0.00 0.00 179.45 177.51 3bd6 h PHE 545 N 1.24 0.56 -0.24 1.91 3.57 -1.15 -1.42 116.94 121.42 3bd6 h PHE 545 Ca 0.33 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3bd6 h PHE 545 Cb -0.11 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3bd6 h PHE 545 CO -0.00 1.07 -0.04 0.00 -2.23 0.00 0.00 178.31 177.11 3bd6 h ALA 546 N 0.84 1.48 -0.14 2.41 0.00 -0.75 -1.82 119.26 121.28 3bd6 h ALA 546 Ca -0.05 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 3bd6 h ALA 546 Cb 1.45 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3bd6 h ALA 546 CO 0.14 0.37 -0.79 0.00 0.00 0.00 0.00 179.25 178.97 3bd6 h ALA 547 N 1.60 0.31 -0.59 0.00 0.00 -1.00 -3.09 119.26 116.49 3bd6 h ALA 547 Ca 0.08 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3bd6 h ALA 547 Cb 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3bd6 h ALA 547 CO 0.01 0.69 0.37 -0.92 0.00 0.00 0.00 179.25 179.40 3bd6 h TYR 548 N 0.53 0.70 -0.86 0.00 5.03 -0.96 -1.71 116.97 119.70 3bd6 h TYR 548 Ca -0.06 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 3bd6 h TYR 548 Cb 1.42 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 39.43 3bd6 h TYR 548 CO 0.09 0.41 0.46 -0.07 -1.32 0.00 0.00 178.16 177.73 3bd6 h LEU 549 N 0.74 1.08 -0.14 2.82 3.38 -1.38 -0.84 115.31 120.97 3bd6 h LEU 549 Ca 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3bd6 h LEU 549 Cb -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 3bd6 h LEU 549 CO -0.08 0.88 -0.07 -0.33 0.09 0.00 0.00 178.44 178.92 3bd6 h GLU 550 N 1.20 0.30 -0.53 1.13 5.08 -1.43 -0.77 114.58 119.56 3bd6 h GLU 550 Ca 0.30 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3bd6 h GLU 550 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3bd6 h GLU 550 CO -0.05 0.63 -0.03 0.00 -1.00 0.00 0.00 179.01 178.56 3bd6 h ARG 551 N -0.04 0.93 0.00 2.33 3.08 -1.19 -1.87 114.38 117.62 3bd6 h ARG 551 Ca 0.03 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3bd6 h ARG 551 Cb 0.54 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3bd6 h ARG 551 CO 0.02 0.94 -2.08 -1.91 -1.07 0.00 0.00 179.97 175.87 3bd6 n GLU 552 N -4.18 0.72 0.00 0.04 4.07 -0.33 -4.65 120.64 116.32 3bd6 n GLU 552 Ca 0.02 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.00 3bd6 n GLU 552 Cb 0.34 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 3bd6 n GLU 552 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3bd6 n TYR 553 N -2.40 0.00 -3.73 4.31 4.01 -0.35 -5.03 117.16 113.97 3bd6 n TYR 553 Ca -0.14 -0.08 -0.28 0.00 -0.16 0.00 0.00 57.90 57.23 3bd6 n TYR 553 Cb 0.76 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.77 3bd6 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3bd6 n LYS 554 N -0.08 -3.32 -4.66 -0.72 4.76 -0.70 -4.92 118.16 108.51 3bd6 n LYS 554 Ca 0.00 0.41 -0.33 0.00 -2.87 0.00 0.00 58.31 55.52 3bd6 n LYS 554 Cb 0.41 -5.13 -0.13 0.00 -1.84 0.00 0.00 35.03 28.34 3bd6 n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3bd6 s VAL 555 N -3.05 3.39 -0.16 -0.18 -7.23 -1.12 -4.95 120.40 107.09 3bd6 s VAL 555 Ca 0.55 -0.56 -0.07 0.00 -1.81 0.00 0.00 61.98 60.09 3bd6 s VAL 555 Cb -0.29 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 3bd6 s VAL 555 CO 0.67 0.54 0.07 -1.00 -0.31 0.00 0.00 175.10 175.07 3bd6 s HIS 556 N 0.05 3.32 0.09 2.82 3.76 -1.26 -3.19 115.29 120.87 3bd6 s HIS 556 Ca -0.03 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 3bd6 s HIS 556 Cb -0.14 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 3bd6 s HIS 556 CO 0.04 0.32 -0.08 0.96 -0.85 0.00 0.00 174.74 175.13 3bd6 s ILE 557 N -0.06 0.72 -0.42 0.60 -4.36 -1.26 -5.12 121.20 111.30 3bd6 s ILE 557 Ca 0.07 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.57 3bd6 s ILE 557 Cb -0.12 -1.35 0.02 0.00 1.25 0.00 0.00 42.46 42.26 3bd6 s ILE 557 CO 0.01 -0.68 0.77 0.21 0.24 0.00 0.00 174.94 175.49 3bd6 s ASN 558 N -2.55 6.45 0.00 4.36 2.47 -1.26 -4.94 114.94 119.46 3bd6 s ASN 558 Ca 0.05 0.02 0.17 0.00 0.42 0.00 0.00 52.86 53.52 3bd6 s ASN 558 Cb -0.00 -2.38 0.78 0.00 -1.45 0.00 0.00 41.25 38.19 3bd6 s ASN 558 CO -0.02 -0.85 1.51 -2.65 -3.72 0.00 0.00 177.10 171.37 3bd6 n PRO 559 N 6.59 0.13 0.02 0.43 -0.02 -1.26 -2.16 135.00 138.73 3bd6 n PRO 559 Ca 0.02 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3bd6 n PRO 559 Cb 0.48 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.69 3bd6 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3bd6 n ASN 560 N -1.39 0.55 -4.82 2.55 5.03 -1.26 -4.88 115.26 111.05 3bd6 n ASN 560 Ca 0.06 -0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.14 3bd6 n ASN 560 Cb 0.16 0.21 0.07 0.00 -1.02 0.00 0.00 39.78 39.20 3bd6 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3bd6 s SER 561 N -3.50 4.98 -0.09 6.41 1.04 -0.92 -4.95 113.70 116.67 3bd6 s SER 561 Ca 0.09 1.38 -0.30 0.00 0.48 0.00 0.00 55.95 57.60 3bd6 s SER 561 Cb 0.16 -2.18 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 3bd6 s SER 561 CO 0.70 -1.67 1.31 -0.22 0.98 0.00 0.00 173.24 174.35 3bd6 s LEU 562 N -5.62 4.25 -0.67 2.42 0.20 0.05 -4.78 118.68 114.55 3bd6 s LEU 562 Ca 0.59 1.87 -0.25 0.00 0.69 0.00 0.00 54.13 57.04 3bd6 s LEU 562 Cb -0.14 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.12 3bd6 s LEU 562 CO 0.54 -0.71 1.10 -0.36 -0.29 0.00 0.00 176.35 176.63 3bd6 s PHE 563 N 2.92 2.54 -0.44 5.38 2.99 -1.26 -0.62 117.98 129.49 3bd6 s PHE 563 Ca 0.59 -0.20 -0.14 0.00 0.00 0.00 0.00 56.93 57.18 3bd6 s PHE 563 Cb -0.26 -4.41 0.05 0.00 0.00 0.00 0.00 43.02 38.41 3bd6 s PHE 563 CO 0.21 -1.76 0.34 0.34 -0.00 0.00 0.00 175.22 174.34 3bd6 s ASP 564 N 3.52 6.05 -0.04 1.36 3.68 0.13 -1.60 116.67 129.77 3bd6 s ASP 564 Ca 0.30 -1.17 0.04 0.00 2.13 0.00 0.00 52.55 53.85 3bd6 s ASP 564 Cb -0.12 -2.14 -0.00 0.00 -1.45 0.00 0.00 42.92 39.20 3bd6 s ASP 564 CO 0.15 -0.55 -0.17 0.54 0.13 0.00 0.00 175.17 175.27 3bd6 s VAL 565 N 1.63 1.41 -0.30 1.11 0.11 -0.54 0.05 120.40 123.87 3bd6 s VAL 565 Ca 0.04 -0.70 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 3bd6 s VAL 565 Cb -0.22 -1.21 0.09 0.00 -1.53 0.00 0.00 36.38 33.51 3bd6 s VAL 565 CO 0.07 0.41 0.04 -1.58 -3.33 0.00 0.00 175.10 170.71 3bd6 s GLN 566 N 0.05 1.20 -0.12 1.54 0.74 -0.31 -1.73 119.66 121.03 3bd6 s GLN 566 Ca -0.04 -1.31 0.02 0.00 0.05 0.00 0.00 55.36 54.07 3bd6 s GLN 566 Cb -0.11 -2.56 0.01 0.00 1.10 0.00 0.00 33.01 31.45 3bd6 s GLN 566 CO 0.02 -0.86 -0.17 0.14 -0.55 0.00 0.00 175.29 173.87 3bd6 s VAL 567 N 1.32 1.65 0.00 1.34 -7.23 -1.26 -1.80 120.40 114.42 3bd6 s VAL 567 Ca 0.06 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3bd6 s VAL 567 Cb -0.18 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.26 3bd6 s VAL 567 CO -0.14 0.47 0.00 2.29 -0.31 0.00 0.00 175.10 177.41 3bd6 n LYS 568 N 4.27 0.00 -1.71 4.82 2.85 -1.01 -4.99 118.16 122.39 3bd6 n LYS 568 Ca -0.19 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.68 3bd6 n LYS 568 Cb 0.51 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.92 3bd6 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3bd6 n ARG 569 N -0.32 1.66 -2.45 -1.58 5.12 -1.26 -3.99 116.66 113.84 3bd6 n ARG 569 Ca 0.00 0.61 -0.43 0.00 -1.93 0.00 0.00 57.85 56.10 3bd6 n ARG 569 Cb 0.00 -2.45 -0.02 0.00 -1.16 0.00 0.00 32.46 28.83 3bd6 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bd6 s ILE 570 N -1.29 4.32 -0.06 0.55 -1.09 -0.53 -4.90 121.20 118.21 3bd6 s ILE 570 Ca 0.68 1.58 -0.13 0.00 -2.23 0.00 0.00 60.65 60.56 3bd6 s ILE 570 Cb -0.45 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 3bd6 s ILE 570 CO 0.52 -0.18 0.30 -1.00 -1.23 0.00 0.00 174.94 173.35 3bd6 s HIS 571 N 3.56 -0.24 0.26 3.97 3.76 -1.26 -4.73 115.29 120.62 3bd6 s HIS 571 Ca 0.53 0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 55.88 3bd6 s HIS 571 Cb -0.20 0.10 0.31 0.00 1.11 0.00 0.00 32.58 33.89 3bd6 s HIS 571 CO 0.14 -0.29 1.92 0.93 -0.85 0.00 0.00 174.74 176.59 3bd6 h GLU 572 N 4.62 1.24 0.00 1.40 5.08 -1.97 -2.79 114.58 122.15 3bd6 h GLU 572 Ca -0.28 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3bd6 h GLU 572 Cb 1.18 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3bd6 h GLU 572 CO 0.36 0.84 -0.23 0.10 -1.00 0.00 0.00 179.01 179.08 3bd6 h TYR 573 N 1.27 0.00 0.00 4.33 -0.00 -1.98 -2.40 116.97 118.19 3bd6 h TYR 573 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 3bd6 h TYR 573 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.62 3bd6 h TYR 573 CO 0.00 0.23 0.00 1.63 -0.00 0.00 0.00 178.16 180.03 3bd6 n LYS 574 N -3.89 0.23 -3.57 0.10 5.02 -1.06 -2.98 118.16 112.02 3bd6 n LYS 574 Ca -0.02 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.26 3bd6 n LYS 574 Cb 0.32 -1.77 0.08 0.00 -0.02 0.00 0.00 35.03 33.63 3bd6 n LYS 574 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3bd6 n ARG 575 N -2.17 -7.00 -0.01 1.97 1.74 -0.91 -4.05 116.66 106.23 3bd6 n ARG 575 Ca 0.06 0.80 0.22 0.00 -0.77 0.00 0.00 57.85 58.16 3bd6 n ARG 575 Cb 0.41 -5.79 0.72 0.00 -1.02 0.00 0.00 32.46 26.78 3bd6 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3bd6 h GLN 576 N -2.27 0.00 -0.31 5.56 7.50 -1.85 -1.78 115.11 121.96 3bd6 h GLN 576 Ca -0.58 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 58.50 3bd6 h GLN 576 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 3bd6 h GLN 576 CO 0.55 0.00 -0.08 -0.07 -1.50 0.00 0.00 178.83 177.72 3bd6 h LEU 577 N 0.00 0.49 -0.58 1.46 3.38 -1.90 -1.52 115.31 116.65 3bd6 h LEU 577 Ca 0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3bd6 h LEU 577 Cb 1.19 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3bd6 h LEU 577 CO -0.00 0.62 0.12 0.25 0.09 0.00 0.00 178.44 179.53 3bd6 h LEU 578 N 0.48 0.89 -0.38 1.67 5.85 -1.70 -1.89 115.31 120.24 3bd6 h LEU 578 Ca 0.09 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3bd6 h LEU 578 Cb 0.44 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3bd6 h LEU 578 CO 0.02 0.90 0.16 -1.13 -0.34 0.00 0.00 178.44 178.05 3bd6 h ASN 579 N 0.84 0.20 -0.88 1.25 -0.00 -1.44 -2.29 115.58 113.25 3bd6 h ASN 579 Ca 0.18 0.03 0.10 0.00 -0.00 0.00 0.00 56.30 56.61 3bd6 h ASN 579 Cb 0.37 -0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 38.61 3bd6 h ASN 579 CO 0.01 0.15 0.52 0.00 -0.00 0.00 0.00 177.43 178.11 3bd6 h LEU 581 N 0.86 0.90 -0.24 0.00 3.38 -0.98 -1.96 115.31 117.27 3bd6 h LEU 581 Ca 0.43 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3bd6 h LEU 581 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3bd6 h LEU 581 CO -0.25 0.92 0.03 -0.74 0.09 0.00 0.00 178.44 178.48 3bd6 h HIS 582 N 0.89 0.43 -0.43 1.13 2.76 -0.81 -1.67 115.15 117.44 3bd6 h HIS 582 Ca 0.18 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3bd6 h HIS 582 Cb 0.42 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.20 3bd6 h HIS 582 CO 0.03 0.54 0.04 0.28 -1.30 0.00 0.00 177.93 177.52 3bd6 h VAL 583 N 0.19 0.72 -0.49 5.26 2.07 -1.04 -0.76 116.25 122.21 3bd6 h VAL 583 Ca 0.07 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 3bd6 h VAL 583 Cb 0.35 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3bd6 h VAL 583 CO 0.01 0.03 0.04 0.40 0.02 0.00 0.00 177.57 178.06 3bd6 h ILE 584 N 0.16 1.24 -0.48 4.57 2.04 -1.32 -1.37 117.51 122.34 3bd6 h ILE 584 Ca 0.21 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.15 3bd6 h ILE 584 Cb 0.29 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3bd6 h ILE 584 CO -0.32 0.34 0.30 0.74 0.00 0.00 0.00 178.15 179.21 3bd6 h THR 585 N 0.75 1.07 -0.53 -0.27 2.02 -0.55 0.36 112.91 115.76 3bd6 h THR 585 Ca 0.15 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3bd6 h THR 585 Cb 0.40 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3bd6 h THR 585 CO 0.01 0.11 0.22 -0.07 0.37 0.00 0.00 175.52 176.16 3bd6 h LEU 586 N 0.60 0.73 -0.12 2.58 4.07 -0.77 -1.09 115.31 121.31 3bd6 h LEU 586 Ca 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 3bd6 h LEU 586 Cb -0.01 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 3bd6 h LEU 586 CO -0.07 0.69 0.07 0.22 -1.08 0.00 0.00 178.44 178.28 3bd6 h TYR 587 N 0.72 0.16 -0.55 1.13 5.03 -1.00 -1.89 116.97 120.57 3bd6 h TYR 587 Ca 0.18 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.45 3bd6 h TYR 587 Cb 0.18 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.39 3bd6 h TYR 587 CO 0.00 0.15 0.18 -0.91 -1.32 0.00 0.00 178.16 176.26 3bd6 h ASN 588 N 0.13 0.75 -0.54 -2.11 2.35 -0.79 -1.04 115.58 114.33 3bd6 h ASN 588 Ca 0.04 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 3bd6 h ASN 588 Cb 0.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3bd6 h ASN 588 CO -0.01 0.71 -0.07 0.03 -1.65 0.00 0.00 177.43 176.44 3bd6 h ARG 589 N 0.80 1.01 -0.18 0.81 3.08 -1.08 -1.94 114.38 116.88 3bd6 h ARG 589 Ca 0.18 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 3bd6 h ARG 589 Cb 0.22 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3bd6 h ARG 589 CO -0.01 1.03 0.06 0.82 -1.07 0.00 0.00 179.97 180.81 3bd6 h ILE 590 N 0.91 1.18 0.00 2.04 2.04 -0.99 -1.88 117.51 120.81 3bd6 h ILE 590 Ca 0.15 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3bd6 h ILE 590 Cb 0.62 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3bd6 h ILE 590 CO 0.04 0.17 -0.02 0.11 0.00 0.00 0.00 178.15 178.45 3bd6 h LYS 591 N 0.13 0.00 0.11 2.37 1.79 -1.12 -1.19 116.57 118.66 3bd6 h LYS 591 Ca 0.06 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.30 3bd6 h LYS 591 Cb 0.21 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3bd6 h LYS 591 CO -0.00 0.02 -0.95 -0.22 -1.08 0.00 0.00 179.45 177.21 3bd6 h LYS 592 N 0.00 0.46 -2.52 3.15 3.64 -1.17 -3.40 116.57 116.73 3bd6 h LYS 592 Ca -0.00 -0.64 -0.60 0.00 -1.27 0.00 0.00 60.65 58.15 3bd6 h LYS 592 Cb 0.04 0.21 -0.40 0.00 -0.41 0.00 0.00 32.23 31.67 3bd6 h LYS 592 CO 0.00 1.27 -0.78 0.39 -2.27 0.00 0.00 179.45 178.06 3bd6 n GLU 593 N -4.01 1.32 0.13 1.90 1.02 -0.72 -4.99 120.64 115.28 3bd6 n GLU 593 Ca -0.13 -3.94 0.04 0.00 -0.02 0.00 0.00 57.16 53.11 3bd6 n GLU 593 Cb 0.86 -1.93 0.45 0.00 -0.02 0.00 0.00 31.44 30.80 3bd6 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3bd6 h PRO 594 N 4.99 0.24 -0.57 3.49 0.11 -1.44 -2.76 132.00 136.04 3bd6 h PRO 594 Ca 0.18 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3bd6 h PRO 594 Cb 0.80 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3bd6 h PRO 594 CO 0.60 0.29 0.00 0.09 -0.21 0.00 0.00 178.00 178.77 3bd6 n ASN 595 N -4.36 3.21 -4.83 -2.05 4.13 -1.26 -4.86 115.26 105.24 3bd6 n ASN 595 Ca -0.01 -2.17 -0.38 0.00 1.68 0.00 0.00 54.58 53.70 3bd6 n ASN 595 Cb 0.20 -0.42 -0.06 0.00 -1.54 0.00 0.00 39.78 37.95 3bd6 n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3bd6 s LYS 596 N -1.55 4.01 0.10 3.52 2.36 -1.04 -5.06 119.74 122.08 3bd6 s LYS 596 Ca 0.36 0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 53.99 3bd6 s LYS 596 Cb 0.21 -3.22 -0.06 0.00 -1.05 0.00 0.00 37.83 33.71 3bd6 s LYS 596 CO 0.20 0.67 1.15 0.12 1.55 0.00 0.00 175.35 179.05 3bd6 s PHE 597 N -1.09 3.51 0.03 4.03 5.36 -1.26 -5.04 117.98 123.50 3bd6 s PHE 597 Ca 0.26 1.44 0.05 0.00 -0.96 0.00 0.00 56.93 57.72 3bd6 s PHE 597 Cb -0.18 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.14 3bd6 s PHE 597 CO 0.15 -0.94 -0.14 0.14 -1.46 0.00 0.00 175.22 172.97 3bd6 s VAL 598 N 0.53 1.08 0.08 3.12 -7.23 -1.26 -5.11 120.40 111.62 3bd6 s VAL 598 Ca 0.55 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 3bd6 s VAL 598 Cb -0.29 -0.97 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 3bd6 s VAL 598 CO 0.32 0.07 1.82 -0.69 -0.31 0.00 0.00 175.10 176.31 3bd6 s VAL 599 N -0.72 2.79 0.35 1.32 1.01 -1.26 -4.94 120.40 118.95 3bd6 s VAL 599 Ca 0.02 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3bd6 s VAL 599 Cb -0.07 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 3bd6 s VAL 599 CO 0.01 -0.00 1.24 -2.84 0.00 0.00 0.00 175.10 173.50 3bd6 s PRO 600 N 3.19 4.27 0.01 2.72 0.02 -1.26 -4.94 135.00 139.01 3bd6 s PRO 600 Ca 0.81 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.92 3bd6 s PRO 600 Cb -0.43 -2.95 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 3bd6 s PRO 600 CO 0.36 -0.21 -0.12 1.03 -0.33 0.00 0.00 177.00 177.74 3bd6 s ARG 601 N -1.93 0.85 -0.33 5.54 0.52 -0.63 -0.77 118.95 122.20 3bd6 s ARG 601 Ca 0.51 -0.56 -0.06 0.00 -0.52 0.00 0.00 55.73 55.11 3bd6 s ARG 601 Cb -0.36 -0.82 0.04 0.00 0.52 0.00 0.00 34.95 34.33 3bd6 s ARG 601 CO 0.47 0.21 0.09 0.99 0.02 0.00 0.00 175.30 177.08 3bd6 s THR 602 N -0.58 3.65 -0.32 0.02 2.01 0.21 -2.09 115.64 118.53 3bd6 s THR 602 Ca 0.02 -1.19 -0.19 0.00 0.31 0.00 0.00 61.69 60.64 3bd6 s THR 602 Cb -0.06 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.36 3bd6 s THR 602 CO 0.00 -0.18 0.56 -0.69 -0.69 0.00 0.00 174.62 173.62 3bd6 s VAL 603 N 1.37 4.99 -0.18 3.82 1.01 0.53 -0.69 120.40 131.26 3bd6 s VAL 603 Ca -0.02 0.59 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3bd6 s VAL 603 Cb -0.20 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 3bd6 s VAL 603 CO 0.02 -0.16 -0.11 -0.04 0.00 0.00 0.00 175.10 174.81 3bd6 s MET 604 N 2.48 3.28 -0.06 2.72 -1.94 0.11 -1.02 119.30 124.87 3bd6 s MET 604 Ca 0.21 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.53 3bd6 s MET 604 Cb -0.15 -2.76 0.00 0.00 2.01 0.00 0.00 34.83 33.93 3bd6 s MET 604 CO 0.12 -0.05 -0.18 0.42 -0.01 0.00 0.00 175.02 175.33 3bd6 s ILE 605 N 1.01 1.51 0.10 2.53 1.01 -0.71 -1.17 121.20 125.49 3bd6 s ILE 605 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 3bd6 s ILE 605 Cb -0.15 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3bd6 s ILE 605 CO -0.02 0.44 0.25 -0.83 0.00 0.00 0.00 174.94 174.78 3bd6 s GLY 606 N 0.20 0.04 0.00 6.18 0.00 -0.75 -0.42 107.32 112.58 3bd6 s GLY 606 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.13 3bd6 s GLY 606 CO 0.04 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.06 3bd6 n GLY 607 N -0.11 4.25 3.89 0.20 0.00 -1.26 -2.40 105.19 109.75 3bd6 n GLY 607 Ca -0.15 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3bd6 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bd6 s LYS 608 N -3.04 3.60 -0.09 1.61 1.02 -1.26 -4.64 119.74 116.93 3bd6 s LYS 608 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.85 3bd6 s LYS 608 Cb 0.00 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3bd6 s LYS 608 CO 0.00 0.56 0.09 0.00 -0.92 0.00 0.00 175.35 175.08 3bd6 s ALA 609 N -1.47 3.63 0.28 5.17 0.00 -1.26 -1.45 121.76 126.66 3bd6 s ALA 609 Ca 0.34 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.26 3bd6 s ALA 609 Cb -0.13 -1.74 -0.12 0.00 0.00 0.00 0.00 23.12 21.13 3bd6 s ALA 609 CO 0.21 0.62 1.53 0.00 0.00 0.00 0.00 175.76 178.12 3bd6 n ALA 610 N 1.89 2.05 -0.24 0.00 0.00 -1.26 -4.87 120.51 118.08 3bd6 n ALA 610 Ca -0.18 0.39 0.23 0.00 0.00 0.00 0.00 53.44 53.88 3bd6 n ALA 610 Cb 0.54 -2.40 0.59 0.00 0.00 0.00 0.00 19.45 18.18 3bd6 n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3bd6 h PRO 611 N 4.57 0.25 -0.20 0.00 0.11 -1.99 -1.21 132.00 133.53 3bd6 h PRO 611 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3bd6 h PRO 611 Cb 1.24 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bd6 h PRO 611 CO 0.78 0.16 0.00 0.41 -0.21 0.00 0.00 178.00 179.14 3bd6 n GLY 612 N -1.58 0.84 3.39 -0.55 0.00 -1.26 -4.79 105.19 101.23 3bd6 n GLY 612 Ca 0.20 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 3bd6 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bd6 s TYR 613 N -1.76 3.28 0.12 1.61 6.04 -0.46 -4.92 117.35 121.26 3bd6 s TYR 613 Ca 0.34 -1.46 -0.20 0.00 0.04 0.00 0.00 57.07 55.79 3bd6 s TYR 613 Cb 0.20 -4.07 -0.07 0.00 -1.04 0.00 0.00 41.96 36.98 3bd6 s TYR 613 CO 0.30 -1.29 1.75 1.25 -1.54 0.00 0.00 175.55 176.02 3bd6 h HIS 614 N 8.60 0.12 -0.84 4.97 -0.00 -1.86 -2.24 115.15 123.89 3bd6 h HIS 614 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3bd6 h HIS 614 Cb 1.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.38 3bd6 h HIS 614 CO 1.04 0.06 0.54 1.98 -0.00 0.00 0.00 177.93 181.56 3bd6 h MET 615 N 0.15 1.12 -0.46 5.26 1.85 -1.98 -1.00 114.93 119.87 3bd6 h MET 615 Ca 0.07 -0.08 -0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3bd6 h MET 615 Cb 0.03 -0.25 -0.02 0.00 0.43 0.00 0.00 31.60 31.79 3bd6 h MET 615 CO -0.06 0.76 0.06 0.00 -0.40 0.00 0.00 176.91 177.26 3bd6 h ALA 616 N 1.30 1.23 -0.26 0.39 0.00 -1.86 -1.07 119.26 118.98 3bd6 h ALA 616 Ca 0.31 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3bd6 h ALA 616 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3bd6 h ALA 616 CO -0.06 0.52 -0.27 0.87 0.00 0.00 0.00 179.25 180.31 3bd6 h LYS 617 N 0.69 0.52 -0.29 0.00 1.57 -0.78 -2.70 116.57 115.58 3bd6 h LYS 617 Ca 0.15 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3bd6 h LYS 617 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3bd6 h LYS 617 CO 0.01 0.74 -0.27 0.52 -0.57 0.00 0.00 179.45 179.88 3bd6 h MET 618 N 0.45 0.59 -0.58 3.15 2.86 -0.58 -2.56 114.93 118.25 3bd6 h MET 618 Ca 0.06 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3bd6 h MET 618 Cb 0.70 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 3bd6 h MET 618 CO 0.05 0.80 0.05 0.82 1.06 0.00 0.00 176.91 179.69 3bd6 h ILE 619 N 0.51 1.26 -0.17 -1.22 2.04 -1.09 -0.61 117.51 118.24 3bd6 h ILE 619 Ca 0.07 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3bd6 h ILE 619 Cb 0.73 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3bd6 h ILE 619 CO 0.06 0.38 0.08 0.40 0.00 0.00 0.00 178.15 179.07 3bd6 h ILE 620 N 0.89 1.00 -0.78 -0.67 2.04 -1.38 -1.52 117.51 117.08 3bd6 h ILE 620 Ca 0.17 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.00 3bd6 h ILE 620 Cb 0.48 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3bd6 h ILE 620 CO 0.02 0.03 0.50 0.50 0.00 0.00 0.00 178.15 179.21 3bd6 h LYS 621 N 0.18 0.96 -0.36 2.37 1.63 -1.28 -2.24 116.57 117.83 3bd6 h LYS 621 Ca 0.07 -0.06 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3bd6 h LYS 621 Cb 0.01 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 3bd6 h LYS 621 CO -0.05 0.64 0.11 1.25 -3.45 0.00 0.00 179.45 177.95 3bd6 h LEU 622 N 0.99 0.09 -0.39 5.20 6.46 -0.80 -0.53 115.31 126.33 3bd6 h LEU 622 Ca 0.31 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.13 3bd6 h LEU 622 Cb -0.01 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 3bd6 h LEU 622 CO -0.10 0.09 0.24 0.40 -0.62 0.00 0.00 178.44 178.45 3bd6 h ILE 623 N 0.25 1.07 -0.47 4.05 2.04 -0.81 -0.44 117.51 123.19 3bd6 h ILE 623 Ca 0.17 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 3bd6 h ILE 623 Cb 0.16 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3bd6 h ILE 623 CO -0.19 0.09 -0.07 0.71 0.00 0.00 0.00 178.15 178.69 3bd6 h THR 624 N 0.49 1.26 -0.52 -0.27 1.35 -1.27 -2.29 112.91 111.66 3bd6 h THR 624 Ca 0.15 -1.13 -0.07 0.00 -0.55 0.00 0.00 66.41 64.80 3bd6 h THR 624 Cb -0.02 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 3bd6 h THR 624 CO -0.05 0.39 0.03 0.00 -0.25 0.00 0.00 175.52 175.64 3bd6 h ALA 625 N 1.16 1.07 -0.19 6.62 0.00 -0.58 -0.36 119.26 126.98 3bd6 h ALA 625 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3bd6 h ALA 625 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3bd6 h ALA 625 CO 0.03 0.59 0.07 0.82 0.00 0.00 0.00 179.25 180.76 3bd6 h ILE 626 N 0.81 1.18 -0.62 0.00 2.04 -0.99 -2.99 117.51 116.94 3bd6 h ILE 626 Ca 0.16 -0.55 0.11 0.00 1.00 0.00 0.00 64.86 65.59 3bd6 h ILE 626 Cb 0.44 1.18 -0.09 0.00 -0.74 0.00 0.00 36.82 37.61 3bd6 h ILE 626 CO 0.02 0.17 0.16 1.23 0.00 0.00 0.00 178.15 179.73 3bd6 h GLY 627 N 0.14 0.82 0.97 5.37 0.00 -1.05 0.11 103.07 109.43 3bd6 h GLY 627 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.46 3bd6 h GLY 627 CO -0.00 -0.10 0.42 -0.55 0.00 0.00 0.00 176.54 176.30 3bd6 h ASP 628 N 0.30 0.32 0.03 0.19 3.45 -0.95 0.12 116.42 119.88 3bd6 h ASP 628 Ca 0.32 0.01 -0.19 0.00 0.43 0.00 0.00 57.03 57.60 3bd6 h ASP 628 Cb 0.47 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 3bd6 h ASP 628 CO -0.39 0.19 -1.01 0.58 -1.57 0.00 0.00 179.24 177.04 3bd6 h VAL 629 N 0.36 1.15 -0.16 -1.35 2.07 -1.22 -3.38 116.25 113.71 3bd6 h VAL 629 Ca 0.29 -2.28 -0.06 0.00 0.82 0.00 0.00 66.70 65.47 3bd6 h VAL 629 Cb 0.65 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 3bd6 h VAL 629 CO -0.08 0.50 -0.12 0.58 0.02 0.00 0.00 177.57 178.47 3bd6 h VAL 630 N -0.80 1.33 0.00 2.57 2.07 -0.61 -3.07 116.25 117.74 3bd6 h VAL 630 Ca -0.25 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3bd6 h VAL 630 Cb 1.36 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3bd6 h VAL 630 CO -0.08 0.37 0.00 0.59 0.02 0.00 0.00 177.57 178.46 3bd6 n ASN 631 N -4.57 0.59 -0.21 0.57 3.02 0.39 -2.91 115.26 112.14 3bd6 n ASN 631 Ca -0.06 0.64 0.02 0.00 -0.03 0.00 0.00 54.58 55.16 3bd6 n ASN 631 Cb 0.34 -0.77 0.05 0.00 -0.61 0.00 0.00 39.78 38.79 3bd6 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3bd6 n HIS 632 N -2.15 0.14 -2.87 3.10 8.25 -1.22 -4.96 115.22 115.50 3bd6 n HIS 632 Ca 0.02 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.64 3bd6 n HIS 632 Cb 0.23 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 3bd6 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3bd6 s ASP 633 N -0.89 6.64 0.47 0.41 -1.08 -1.14 -4.94 116.67 116.14 3bd6 s ASP 633 Ca 0.08 0.53 0.17 0.00 -0.52 0.00 0.00 52.55 52.81 3bd6 s ASP 633 Cb 0.04 -2.44 1.11 0.00 -1.46 0.00 0.00 42.92 40.17 3bd6 s ASP 633 CO 0.05 -0.78 2.02 1.55 0.52 0.00 0.00 175.17 178.53 3bd6 h PRO 634 N 8.41 0.00 -0.18 4.34 0.13 -1.93 -2.32 132.00 140.45 3bd6 h PRO 634 Ca -0.24 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 3bd6 h PRO 634 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3bd6 h PRO 634 CO 0.95 0.17 -0.30 0.28 -0.23 0.00 0.00 178.00 178.86 3bd6 h VAL 635 N 0.00 1.27 -0.44 1.56 2.07 -1.97 -2.91 116.25 115.83 3bd6 h VAL 635 Ca -0.00 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.13 3bd6 h VAL 635 Cb 0.31 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3bd6 h VAL 635 CO 0.02 0.40 -0.03 0.58 0.02 0.00 0.00 177.57 178.57 3bd6 h VAL 636 N 0.31 1.27 0.00 2.57 2.07 -1.76 -3.49 116.25 117.22 3bd6 h VAL 636 Ca 0.04 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3bd6 h VAL 636 Cb 0.70 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3bd6 h VAL 636 CO 0.05 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.63 3bd6 n GLY 637 N -0.33 1.81 1.83 2.17 0.00 -1.10 -2.64 105.19 106.93 3bd6 n GLY 637 Ca -0.00 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 3bd6 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bd6 n ASP 638 N 3.76 4.22 0.11 1.61 3.85 -1.26 -4.48 116.55 124.36 3bd6 n ASP 638 Ca 0.00 -3.36 0.04 0.00 -0.71 0.00 0.00 54.79 50.76 3bd6 n ASP 638 Cb 0.00 -0.73 0.00 0.00 -1.35 0.00 0.00 41.12 39.04 3bd6 n ASP 638 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 3bd6 h ARG 639 N 2.03 0.00 -2.82 0.11 3.08 -1.85 -3.44 114.38 111.49 3bd6 h ARG 639 Ca 0.31 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.19 3bd6 h ARG 639 Cb 2.27 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 32.02 3bd6 h ARG 639 CO 0.72 0.32 -0.44 -1.17 -1.07 0.00 0.00 179.97 178.33 3bd6 s LEU 640 N -6.09 -0.04 -0.02 3.04 2.96 -1.26 -1.60 118.68 115.67 3bd6 s LEU 640 Ca 0.02 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 3bd6 s LEU 640 Cb 0.08 0.95 -0.00 0.00 0.50 0.00 0.00 46.19 47.71 3bd6 s LEU 640 CO 0.76 -0.20 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.37 3bd6 s ARG 641 N 1.79 0.90 -0.19 1.98 1.81 -0.89 -4.66 118.95 119.69 3bd6 s ARG 641 Ca -0.05 -0.32 0.01 0.00 -1.72 0.00 0.00 55.73 53.64 3bd6 s ARG 641 Cb -0.11 -0.85 0.03 0.00 -0.45 0.00 0.00 34.95 33.58 3bd6 s ARG 641 CO -0.10 0.15 -0.16 0.08 -0.68 0.00 0.00 175.30 174.60 3bd6 s VAL 642 N 0.02 1.91 -0.06 3.52 1.01 -1.26 -0.35 120.40 125.19 3bd6 s VAL 642 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3bd6 s VAL 642 Cb -0.07 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3bd6 s VAL 642 CO 0.00 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.65 3bd6 s ILE 643 N 1.31 1.54 -0.27 2.22 1.09 -0.19 -4.52 121.20 122.38 3bd6 s ILE 643 Ca 0.01 -0.74 -0.18 0.00 -1.10 0.00 0.00 60.65 58.64 3bd6 s ILE 643 Cb -0.15 -1.34 -0.02 0.00 -1.06 0.00 0.00 42.46 39.88 3bd6 s ILE 643 CO -0.10 0.44 0.52 0.12 -0.10 0.00 0.00 174.94 175.82 3bd6 s PHE 644 N 0.29 3.25 -0.57 3.97 2.19 -1.26 -1.74 117.98 124.11 3bd6 s PHE 644 Ca -0.11 0.57 -0.28 0.00 0.33 0.00 0.00 56.93 57.45 3bd6 s PHE 644 Cb -0.15 -2.76 0.03 0.00 -1.31 0.00 0.00 43.02 38.84 3bd6 s PHE 644 CO 0.04 -0.32 1.16 -0.51 1.83 0.00 0.00 175.22 177.43 3bd6 s LEU 645 N 2.33 3.53 0.35 6.12 1.02 0.44 -4.97 118.68 127.51 3bd6 s LEU 645 Ca 0.21 0.10 -0.27 0.00 0.02 0.00 0.00 54.13 54.20 3bd6 s LEU 645 Cb -0.16 -3.18 -0.09 0.00 0.02 0.00 0.00 46.19 42.79 3bd6 s LEU 645 CO 0.10 -1.44 1.12 -0.70 0.02 0.00 0.00 176.35 175.46 3bd6 s GLU 646 N 4.82 4.31 -1.33 1.70 2.12 -1.26 -3.98 118.70 125.07 3bd6 s GLU 646 Ca 0.42 1.77 -0.06 0.00 0.36 0.00 0.00 54.97 57.46 3bd6 s GLU 646 Cb -0.08 -2.85 0.02 0.00 0.26 0.00 0.00 34.13 31.47 3bd6 s GLU 646 CO 0.26 -0.08 1.07 -1.71 -0.54 0.00 0.00 175.26 174.25 3bd6 n ASN 647 N 0.49 -4.47 -4.69 -1.70 5.15 -1.25 -4.91 115.26 103.87 3bd6 n ASN 647 Ca 0.02 -0.62 -0.44 0.00 -0.60 0.00 0.00 54.58 52.94 3bd6 n ASN 647 Cb 0.46 -4.83 -0.04 0.00 -0.53 0.00 0.00 39.78 34.84 3bd6 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3bd6 n TYR 648 N -4.65 2.48 -3.83 1.20 9.36 -1.26 -4.87 117.16 115.59 3bd6 n TYR 648 Ca -0.10 0.16 -0.06 0.00 3.32 0.00 0.00 57.90 61.22 3bd6 n TYR 648 Cb 0.60 -2.60 0.01 0.00 -0.63 0.00 0.00 39.34 36.72 3bd6 n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 3bd6 s ARG 649 N 1.09 1.81 0.14 2.98 1.70 -1.26 -4.73 118.95 120.68 3bd6 s ARG 649 Ca 0.78 -1.14 -0.19 0.00 -0.47 0.00 0.00 55.73 54.71 3bd6 s ARG 649 Cb -0.61 0.53 -0.00 0.00 -0.57 0.00 0.00 34.95 34.30 3bd6 s ARG 649 CO 0.36 -0.85 1.71 0.28 -1.08 0.00 0.00 175.30 175.73 3bd6 h VAL 650 N 2.00 0.82 -0.44 4.99 2.07 -1.96 -0.62 116.25 123.12 3bd6 h VAL 650 Ca -0.28 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3bd6 h VAL 650 Cb 1.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3bd6 h VAL 650 CO 0.35 0.01 0.25 0.77 0.02 0.00 0.00 177.57 178.98 3bd6 h SER 651 N 0.07 0.52 0.04 0.57 4.64 -1.97 -1.62 113.55 115.80 3bd6 h SER 651 Ca 0.12 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3bd6 h SER 651 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3bd6 h SER 651 CO -0.20 0.41 -0.71 0.25 -0.87 0.00 0.00 176.83 175.71 3bd6 h LEU 652 N 0.60 0.70 -1.08 5.97 5.85 -1.74 -3.11 115.31 122.50 3bd6 h LEU 652 Ca 0.16 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3bd6 h LEU 652 Cb -0.01 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3bd6 h LEU 652 CO -0.03 1.20 0.62 0.00 -0.34 0.00 0.00 178.44 179.89 3bd6 h ALA 653 N 0.79 1.49 0.00 1.25 0.00 -0.39 -0.37 119.26 122.03 3bd6 h ALA 653 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3bd6 h ALA 653 Cb 1.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3bd6 h ALA 653 CO 0.13 0.35 -0.06 0.93 0.00 0.00 0.00 179.25 180.60 3bd6 h GLU 654 N 1.06 0.00 0.03 0.00 5.08 -1.25 -1.92 114.58 117.58 3bd6 h GLU 654 Ca 0.43 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.47 3bd6 h GLU 654 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 3bd6 h GLU 654 CO -0.18 0.06 -1.74 1.63 -1.00 0.00 0.00 179.01 177.79 3bd6 n LYS 655 N -3.31 0.62 0.07 2.33 5.02 -0.70 -4.50 118.16 117.68 3bd6 n LYS 655 Ca -0.01 0.42 -0.18 0.00 -2.02 0.00 0.00 58.31 56.52 3bd6 n LYS 655 Cb 0.23 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.48 3bd6 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3bd6 h VAL 656 N -0.70 1.34 -0.03 -0.18 3.04 -1.07 -3.33 116.25 115.33 3bd6 h VAL 656 Ca -0.45 -2.42 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 3bd6 h VAL 656 Cb 1.56 2.50 -0.00 0.00 -2.01 0.00 0.00 31.29 33.34 3bd6 h VAL 656 CO -0.18 0.73 0.00 0.40 -1.01 0.00 0.00 177.57 177.52 3bd6 h ILE 657 N 0.29 0.99 0.00 3.17 2.04 -1.58 -1.27 117.51 121.15 3bd6 h ILE 657 Ca -0.12 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3bd6 h ILE 657 Cb 1.72 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 3bd6 h ILE 657 CO 0.20 0.00 -0.00 -0.65 0.00 0.00 0.00 178.15 177.70 3bd6 h PRO 658 N 0.02 0.00 -0.00 2.37 0.11 -1.79 -2.16 132.00 130.55 3bd6 h PRO 658 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3bd6 h PRO 658 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 3bd6 h PRO 658 CO -0.02 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.44 3bd6 n ALA 659 N -2.10 3.17 -1.77 -0.75 0.00 -0.52 -4.75 120.51 113.78 3bd6 n ALA 659 Ca -0.03 -0.29 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 3bd6 n ALA 659 Cb 0.08 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.25 3bd6 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bd6 s ALA 660 N -2.91 3.25 -0.24 0.00 0.00 -0.81 -4.63 121.76 116.43 3bd6 s ALA 660 Ca 0.14 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 3bd6 s ALA 660 Cb 0.18 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.93 3bd6 s ALA 660 CO 0.63 0.19 -0.14 -0.25 0.00 0.00 0.00 175.76 176.18 3bd6 n ASP 661 N 0.88 2.00 -4.05 0.00 8.00 -0.71 -4.10 116.55 118.57 3bd6 n ASP 661 Ca 0.01 -0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 3bd6 n ASP 661 Cb 0.49 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.88 3bd6 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3bd6 s LEU 662 N -6.75 1.69 -0.26 0.64 0.20 -0.63 -0.65 118.68 112.92 3bd6 s LEU 662 Ca -0.33 -0.38 -0.09 0.00 0.69 0.00 0.00 54.13 54.01 3bd6 s LEU 662 Cb 0.09 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.81 3bd6 s LEU 662 CO 0.61 0.03 0.13 -0.55 -0.29 0.00 0.00 176.35 176.28 3bd6 s SER 663 N 0.85 5.58 -0.41 3.68 0.15 0.53 -1.46 113.70 122.61 3bd6 s SER 663 Ca -0.10 -0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 3bd6 s SER 663 Cb -0.15 -2.02 0.02 0.00 -1.71 0.00 0.00 66.02 62.15 3bd6 s SER 663 CO 0.01 -0.03 0.60 -1.61 1.20 0.00 0.00 173.24 173.40 3bd6 s GLU 664 N 1.64 3.37 -0.56 5.44 0.41 -0.70 -1.46 118.70 126.83 3bd6 s GLU 664 Ca 0.07 -0.33 0.06 0.00 -0.41 0.00 0.00 54.97 54.35 3bd6 s GLU 664 Cb -0.15 -3.91 0.21 0.00 -1.78 0.00 0.00 34.13 28.49 3bd6 s GLU 664 CO 0.07 -0.90 0.53 1.04 -0.49 0.00 0.00 175.26 175.51 3bd6 n GLN 665 N 6.07 1.40 -0.77 1.61 1.13 -0.44 -4.77 117.38 121.61 3bd6 n GLN 665 Ca -0.03 -3.98 0.02 0.00 -1.94 0.00 0.00 57.00 51.07 3bd6 n GLN 665 Cb 0.48 -1.93 0.19 0.00 0.11 0.00 0.00 30.24 29.09 3bd6 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3bd6 n ILE 666 N 1.78 2.29 -1.77 5.09 -5.35 -1.26 -2.44 119.36 117.70 3bd6 n ILE 666 Ca 0.25 -3.29 -0.37 0.00 -0.27 0.00 0.00 62.75 59.07 3bd6 n ILE 666 Cb 0.43 -0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.05 3bd6 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3bd6 s SER 667 N -3.20 4.67 0.26 7.28 1.04 -1.26 -4.65 113.70 117.85 3bd6 s SER 667 Ca 0.40 2.59 -0.31 0.00 0.48 0.00 0.00 55.95 59.11 3bd6 s SER 667 Cb 0.38 -2.62 -0.12 0.00 0.10 0.00 0.00 66.02 63.77 3bd6 s SER 667 CO -0.05 -1.96 1.65 -0.89 0.98 0.00 0.00 173.24 172.97 3bd6 s THR 668 N -1.44 2.02 0.04 2.02 2.01 -1.16 -4.66 115.64 114.47 3bd6 s THR 668 Ca 0.82 0.02 -0.36 0.00 0.31 0.00 0.00 61.69 62.47 3bd6 s THR 668 Cb -0.36 -3.01 -0.15 0.00 0.01 0.00 0.00 72.50 68.98 3bd6 s THR 668 CO 0.39 0.00 1.51 0.00 -0.69 0.00 0.00 174.62 175.83 3bd6 n ALA 669 N 2.83 -0.07 -0.10 7.40 0.00 -1.26 -2.10 120.51 127.21 3bd6 n ALA 669 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3bd6 n ALA 669 Cb 0.36 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3bd6 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bd6 n GLY 670 N 3.17 0.58 0.07 0.00 0.00 -1.26 -4.66 105.19 103.10 3bd6 n GLY 670 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3bd6 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bd6 n THR 671 N -2.01 0.88 -2.95 2.61 -2.24 -0.89 -4.86 114.28 104.82 3bd6 n THR 671 Ca 0.00 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 60.97 3bd6 n THR 671 Cb 0.00 -0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 67.21 3bd6 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bd6 s GLU 672 N -2.31 3.23 0.20 -0.78 2.56 -1.26 -4.73 118.70 115.60 3bd6 s GLU 672 Ca -0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 54.97 54.10 3bd6 s GLU 672 Cb 0.05 -4.09 0.22 0.00 2.00 0.00 0.00 34.13 32.31 3bd6 s GLU 672 CO 0.39 -1.44 1.66 0.00 -0.56 0.00 0.00 175.26 175.30 3bd6 h ALA 673 N 9.24 0.47 0.00 6.30 0.00 -1.89 -2.90 119.26 130.49 3bd6 h ALA 673 Ca -0.27 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bd6 h ALA 673 Cb 1.08 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3bd6 h ALA 673 CO 1.06 -0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.35 3bd6 n SER 674 N -5.31 -0.01 0.00 0.00 2.88 -1.26 -4.21 113.62 105.70 3bd6 n SER 674 Ca 0.07 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 3bd6 n SER 674 Cb 0.31 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 3bd6 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3bd6 n GLY 675 N 1.77 -2.19 0.00 0.46 0.00 -1.26 -0.82 105.19 103.15 3bd6 n GLY 675 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3bd6 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bd6 n THR 676 N -1.08 0.00 -0.29 2.61 -2.24 -1.26 -4.76 114.28 107.26 3bd6 n THR 676 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3bd6 n THR 676 Cb 0.00 -0.14 0.20 0.00 -2.10 0.00 0.00 70.33 68.29 3bd6 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3bd6 h GLY 677 N 0.00 1.32 -0.01 3.38 0.00 -1.95 -1.83 103.07 103.98 3bd6 h GLY 677 Ca 0.00 -0.27 0.17 0.00 0.00 0.00 0.00 47.33 47.23 3bd6 h GLY 677 CO 0.00 0.04 0.32 3.45 0.00 0.00 0.00 176.54 180.34 3bd6 h ASN 678 N 0.69 0.26 0.00 0.19 -0.00 -1.94 -2.40 115.58 112.37 3bd6 h ASN 678 Ca 0.43 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.86 3bd6 h ASN 678 Cb 0.52 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.96 3bd6 h ASN 678 CO -0.31 0.05 0.00 0.23 -0.00 0.00 0.00 177.43 177.40 3bd6 n MET 679 N -5.04 0.42 0.00 4.14 2.81 -0.69 -2.36 117.12 116.41 3bd6 n MET 679 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3bd6 n MET 679 Cb 0.50 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 3bd6 n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3bd6 n PHE 681 N 0.77 0.00 -0.29 2.03 3.72 -0.90 -1.95 117.46 120.84 3bd6 n PHE 681 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3bd6 n PHE 681 Cb 0.21 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.82 3bd6 n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3bd6 h MET 682 N 0.00 1.17 0.00 -1.08 4.05 -1.68 -2.32 114.93 115.08 3bd6 h MET 682 Ca 0.00 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 3bd6 h MET 682 Cb 0.00 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 3bd6 h MET 682 CO 0.00 0.93 -0.07 1.25 0.23 0.00 0.00 176.91 179.25 3bd6 h LEU 683 N 1.15 0.00 -2.95 3.39 5.85 -1.69 -3.25 115.31 117.82 3bd6 h LEU 683 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3bd6 h LEU 683 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3bd6 h LEU 683 CO -0.03 0.07 0.00 0.59 -0.34 0.00 0.00 178.44 178.73 3bd6 n ASN 684 N -3.20 3.46 0.00 1.25 3.02 -1.01 -4.92 115.26 113.85 3bd6 n ASN 684 Ca 0.00 -2.20 0.00 0.00 -0.03 0.00 0.00 54.58 52.36 3bd6 n ASN 684 Cb 0.35 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 3bd6 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bd6 n GLY 685 N 0.64 0.89 3.80 7.41 0.00 -1.14 -4.77 105.19 112.03 3bd6 n GLY 685 Ca 0.17 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 3bd6 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd6 s ALA 686 N -2.00 3.64 0.41 4.61 0.00 -0.90 -4.78 121.76 122.73 3bd6 s ALA 686 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 3bd6 s ALA 686 Cb 0.00 -1.56 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 3bd6 s ALA 686 CO 0.00 0.73 0.72 -0.51 0.00 0.00 0.00 175.76 176.71 3bd6 s LEU 687 N -2.11 3.81 -0.17 0.00 1.43 0.18 -4.43 118.68 117.39 3bd6 s LEU 687 Ca 0.27 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 3bd6 s LEU 687 Cb -0.12 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.25 3bd6 s LEU 687 CO 0.19 -0.42 -0.10 -0.89 0.23 0.00 0.00 176.35 175.36 3bd6 s THR 688 N -2.45 3.15 -0.25 5.49 2.01 -1.26 -0.35 115.64 121.97 3bd6 s THR 688 Ca 0.48 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 3bd6 s THR 688 Cb -0.10 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3bd6 s THR 688 CO 0.36 0.49 0.14 -0.51 -0.69 0.00 0.00 174.62 174.40 3bd6 s ILE 689 N 0.85 5.00 0.12 1.82 2.07 -0.53 -1.28 121.20 129.24 3bd6 s ILE 689 Ca -0.03 0.06 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 3bd6 s ILE 689 Cb -0.15 -3.34 0.07 0.00 0.13 0.00 0.00 42.46 39.17 3bd6 s ILE 689 CO 0.01 0.32 0.84 -0.83 -1.91 0.00 0.00 174.94 173.37 3bd6 s GLY 690 N 1.36 -0.36 0.61 1.50 0.00 -0.35 -1.33 107.32 108.75 3bd6 s GLY 690 Ca 0.06 0.43 -0.08 0.00 0.00 0.00 0.00 44.72 45.13 3bd6 s GLY 690 CO 0.06 0.13 0.96 -0.51 0.00 0.00 0.00 173.10 173.74 3bd6 s THR 691 N -3.40 3.99 -1.29 0.90 -4.23 -1.02 -2.24 115.64 108.36 3bd6 s THR 691 Ca 0.08 0.33 -0.17 0.00 -1.18 0.00 0.00 61.69 60.75 3bd6 s THR 691 Cb -0.02 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.23 3bd6 s THR 691 CO -0.04 -0.70 2.01 0.23 -0.54 0.00 0.00 174.62 175.59 3bd6 n MET 692 N -2.69 2.64 -4.14 3.99 2.81 -1.26 -4.70 117.12 113.77 3bd6 n MET 692 Ca 0.05 -2.68 -0.15 0.00 -1.81 0.00 0.00 57.70 53.11 3bd6 n MET 692 Cb 0.56 -3.33 -0.12 0.00 -0.71 0.00 0.00 33.22 29.62 3bd6 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3bd6 s ASP 693 N 4.06 1.12 0.74 7.83 3.68 -1.26 -4.65 116.67 128.19 3bd6 s ASP 693 Ca 0.52 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.70 3bd6 s ASP 693 Cb 0.10 -0.01 0.00 0.00 -1.45 0.00 0.00 42.92 41.55 3bd6 s ASP 693 CO 0.01 -0.11 0.00 0.61 0.13 0.00 0.00 175.17 175.81 3bd6 n GLY 694 N 1.65 2.54 0.09 2.66 0.00 -1.09 -1.74 105.19 109.31 3bd6 n GLY 694 Ca -0.21 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.72 3bd6 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd6 n ALA 695 N 8.11 2.04 -0.35 4.61 0.00 0.00 -3.24 120.51 131.69 3bd6 n ALA 695 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3bd6 n ALA 695 Cb 0.00 -1.43 0.37 0.00 0.00 0.00 0.00 19.45 18.39 3bd6 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bd6 h ASN 696 N 0.00 0.71 -0.48 0.00 4.21 -1.54 0.73 115.58 119.20 3bd6 h ASN 696 Ca 0.00 0.13 0.03 0.00 1.21 0.00 0.00 56.30 57.66 3bd6 h ASN 696 Cb 0.55 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 3bd6 h ASN 696 CO 0.00 0.15 0.27 0.58 -1.29 0.00 0.00 177.43 177.14 3bd6 h VAL 697 N 0.63 1.02 -0.00 2.81 2.07 -1.64 -0.48 116.25 120.65 3bd6 h VAL 697 Ca 0.63 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.76 3bd6 h VAL 697 Cb 1.14 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3bd6 h VAL 697 CO -0.45 0.10 -0.89 -0.33 0.02 0.00 0.00 177.57 176.02 3bd6 h GLU 698 N 0.54 0.30 -0.03 1.57 5.08 -1.36 -1.90 114.58 118.78 3bd6 h GLU 698 Ca 0.20 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3bd6 h GLU 698 Cb 0.05 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bd6 h GLU 698 CO -0.11 1.01 0.02 0.52 -1.00 0.00 0.00 179.01 179.45 3bd6 h MET 699 N 0.17 0.04 -0.88 2.33 2.86 -0.69 -0.06 114.93 118.69 3bd6 h MET 699 Ca -0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3bd6 h MET 699 Cb 1.51 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.12 3bd6 h MET 699 CO 0.14 0.03 0.50 0.00 1.06 0.00 0.00 176.91 178.65 3bd6 h ALA 700 N 1.00 1.22 -0.60 6.32 0.00 -1.08 -0.83 119.26 125.29 3bd6 h ALA 700 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bd6 h ALA 700 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3bd6 h ALA 700 CO -0.00 0.64 0.32 1.49 0.00 0.00 0.00 179.25 181.70 3bd6 h GLU 701 N 1.23 0.84 -0.26 0.00 4.81 -1.14 0.35 114.58 120.40 3bd6 h GLU 701 Ca 0.31 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3bd6 h GLU 701 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3bd6 h GLU 701 CO -0.05 0.65 -0.05 0.93 -0.73 0.00 0.00 179.01 179.76 3bd6 h GLU 702 N 0.81 0.49 0.00 1.92 4.39 -0.60 -3.29 114.58 118.30 3bd6 h GLU 702 Ca 0.21 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 3bd6 h GLU 702 Cb 0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3bd6 h GLU 702 CO -0.03 0.70 -0.81 0.00 -1.16 0.00 0.00 179.01 177.71 3bd6 h ALA 703 N 0.78 0.68 0.00 3.43 0.00 -1.12 -3.46 119.26 119.57 3bd6 h ALA 703 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3bd6 h ALA 703 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bd6 h ALA 703 CO 0.02 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3bd6 n GLY 704 N 1.26 1.36 0.31 0.00 0.00 0.12 -4.64 105.19 103.60 3bd6 n GLY 704 Ca -0.02 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.74 3bd6 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bd6 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.86 -0.81 114.58 118.60 3bd6 h GLU 705 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3bd6 h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bd6 h GLU 705 CO 0.00 0.00 -0.13 0.93 -1.00 0.00 0.00 179.01 178.81 3bd6 h GLU 706 N 0.00 0.00 -0.63 2.33 3.07 -1.90 -2.72 114.58 114.74 3bd6 h GLU 706 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3bd6 h GLU 706 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 3bd6 h GLU 706 CO -0.00 0.13 0.00 0.09 -1.40 0.00 0.00 179.01 177.83 3bd6 n ASN 707 N -3.66 4.83 -4.21 1.42 3.02 -0.31 -4.91 115.26 111.44 3bd6 n ASN 707 Ca -0.02 -2.51 -0.18 0.00 -0.03 0.00 0.00 54.58 51.84 3bd6 n ASN 707 Cb 0.25 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 3bd6 n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3bd6 s PHE 708 N -1.97 1.30 -0.93 3.10 0.40 -1.03 -4.80 117.98 114.06 3bd6 s PHE 708 Ca 0.51 -0.54 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 3bd6 s PHE 708 Cb 0.34 -0.70 0.24 0.00 0.51 0.00 0.00 43.02 43.40 3bd6 s PHE 708 CO 0.23 0.10 0.86 -0.06 0.70 0.00 0.00 175.22 177.05 3bd6 s PHE 709 N -1.91 3.96 -0.06 0.36 0.08 -0.41 -4.96 117.98 115.04 3bd6 s PHE 709 Ca 0.05 -2.66 -0.16 0.00 0.12 0.00 0.00 56.93 54.28 3bd6 s PHE 709 Cb -0.06 -3.58 -0.05 0.00 -0.57 0.00 0.00 43.02 38.76 3bd6 s PHE 709 CO 0.02 -0.88 0.41 0.42 -0.10 0.00 0.00 175.22 175.10 3bd6 s ILE 710 N -0.87 5.11 0.17 0.64 1.01 -1.26 -1.21 121.20 124.80 3bd6 s ILE 710 Ca 0.26 0.84 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 3bd6 s ILE 710 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3bd6 s ILE 710 CO -0.09 0.48 0.27 0.72 0.00 0.00 0.00 174.94 176.32 3bd6 s PHE 711 N -0.35 0.51 0.00 3.97 -0.71 -0.95 -4.97 117.98 115.47 3bd6 s PHE 711 Ca 0.23 -0.86 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 3bd6 s PHE 711 Cb -0.16 -0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.54 3bd6 s PHE 711 CO 0.11 -0.72 0.00 0.41 -1.34 0.00 0.00 175.22 173.68 3bd6 n GLY 712 N -0.23 -0.66 3.74 1.99 0.00 -1.26 -4.25 105.19 104.52 3bd6 n GLY 712 Ca -0.06 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3bd6 n GLY 712 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bd6 n MET 713 N -0.64 2.44 -2.29 1.61 2.81 -1.26 -4.90 117.12 114.89 3bd6 n MET 713 Ca 0.00 0.86 -0.26 0.00 -1.81 0.00 0.00 57.70 56.49 3bd6 n MET 713 Cb 0.00 -2.53 0.05 0.00 -0.71 0.00 0.00 33.22 30.03 3bd6 n MET 713 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3bd6 s ARG 714 N -2.04 2.47 0.27 0.03 1.81 -1.26 -4.53 118.95 115.70 3bd6 s ARG 714 Ca 0.54 -0.20 -0.01 0.00 -1.72 0.00 0.00 55.73 54.34 3bd6 s ARG 714 Cb -0.51 -2.22 0.59 0.00 -0.45 0.00 0.00 34.95 32.36 3bd6 s ARG 714 CO 0.63 -1.02 1.66 0.28 -0.68 0.00 0.00 175.30 176.17 3bd6 h VAL 715 N -0.41 0.38 -0.58 3.52 2.07 -1.83 -0.25 116.25 119.15 3bd6 h VAL 715 Ca -0.45 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3bd6 h VAL 715 Cb 1.29 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3bd6 h VAL 715 CO 0.60 0.04 0.30 -0.33 0.02 0.00 0.00 177.57 178.20 3bd6 h GLU 716 N 0.22 0.80 -0.22 1.57 3.07 -1.95 -2.14 114.58 115.93 3bd6 h GLU 716 Ca 0.49 -0.09 -0.14 0.00 -0.50 0.00 0.00 59.36 59.12 3bd6 h GLU 716 Cb 0.92 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 3bd6 h GLU 716 CO -0.61 0.61 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.73 3bd6 h ASP 717 N 0.81 0.59 -0.32 1.42 3.45 -1.44 -1.98 116.42 118.95 3bd6 h ASP 717 Ca 0.20 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.36 3bd6 h ASP 717 Cb 0.05 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 3bd6 h ASP 717 CO -0.03 0.95 0.08 0.58 -1.57 0.00 0.00 179.24 179.25 3bd6 h VAL 718 N 0.44 1.21 -0.70 -1.35 2.07 -0.85 -1.97 116.25 115.11 3bd6 h VAL 718 Ca 0.03 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3bd6 h VAL 718 Cb 0.95 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3bd6 h VAL 718 CO 0.08 0.24 0.34 0.44 0.02 0.00 0.00 177.57 178.69 3bd6 h ASP 719 N 0.36 0.92 -1.00 0.57 3.32 -1.35 -0.44 116.42 118.81 3bd6 h ASP 719 Ca 0.10 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3bd6 h ASP 719 Cb 0.28 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3bd6 h ASP 719 CO -0.00 0.79 0.66 0.03 -1.72 0.00 0.00 179.24 179.00 3bd6 h ARG 720 N 0.98 1.29 -0.32 3.56 3.08 -1.28 -1.54 114.38 120.15 3bd6 h ARG 720 Ca 0.24 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.07 3bd6 h ARG 720 Cb 0.12 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3bd6 h ARG 720 CO -0.03 0.85 -0.39 1.25 -1.07 0.00 0.00 179.97 180.59 3bd6 h LEU 721 N 1.33 0.81 -0.78 3.04 6.46 -0.80 -2.71 115.31 122.67 3bd6 h LEU 721 Ca 0.38 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 3bd6 h LEU 721 Cb -0.11 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.56 3bd6 h LEU 721 CO -0.09 1.10 0.27 0.44 -0.62 0.00 0.00 178.44 179.54 3bd6 h ASP 722 N 0.63 1.10 -0.44 1.25 3.32 -0.78 0.26 116.42 121.76 3bd6 h ASP 722 Ca 0.05 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 3bd6 h ASP 722 Cb 0.94 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3bd6 h ASP 722 CO 0.09 1.00 -0.13 1.56 -1.72 0.00 0.00 179.24 180.04 3bd6 h GLN 723 N 1.14 0.92 0.05 3.56 4.20 -1.21 -2.98 115.11 120.78 3bd6 h GLN 723 Ca 0.25 -0.33 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 3bd6 h GLN 723 Cb 0.28 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3bd6 h GLN 723 CO -0.01 0.99 -1.05 -0.09 -0.67 0.00 0.00 178.83 178.00 3bd6 h ARG 724 N 0.82 0.34 0.00 1.46 2.43 -1.38 -3.50 114.38 114.54 3bd6 h ARG 724 Ca 0.13 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3bd6 h ARG 724 Cb 0.66 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3bd6 h ARG 724 CO 0.05 1.13 0.00 0.41 -1.51 0.00 0.00 179.97 180.05 3bd6 n GLY 725 N 1.15 2.02 3.63 2.80 0.00 0.91 -5.02 105.19 110.68 3bd6 n GLY 725 Ca -0.07 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 3bd6 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bd6 s TYR 726 N 0.00 2.94 -0.38 1.61 5.04 -1.19 -4.89 117.35 120.47 3bd6 s TYR 726 Ca 0.00 1.01 -0.02 0.00 -2.44 0.00 0.00 57.07 55.61 3bd6 s TYR 726 Cb 0.00 -3.89 0.09 0.00 0.35 0.00 0.00 41.96 38.51 3bd6 s TYR 726 CO 0.00 -1.17 0.15 1.21 -1.34 0.00 0.00 175.55 174.40 3bd6 s ASN 727 N 2.18 5.15 0.40 4.32 3.04 -1.26 -4.98 114.94 123.80 3bd6 s ASN 727 Ca 0.50 -1.84 0.12 0.00 0.04 0.00 0.00 52.86 51.68 3bd6 s ASN 727 Cb -0.13 -1.79 0.84 0.00 -1.54 0.00 0.00 41.25 38.63 3bd6 s ASN 727 CO 0.21 -0.46 1.92 0.00 -3.04 0.00 0.00 177.10 175.73 3bd6 h ALA 728 N 8.02 1.55 -0.86 1.71 0.00 -1.88 -2.84 119.26 124.95 3bd6 h ALA 728 Ca -0.15 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.64 3bd6 h ALA 728 Cb 1.05 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3bd6 h ALA 728 CO 0.65 0.33 0.56 0.37 0.00 0.00 0.00 179.25 181.16 3bd6 h GLN 729 N 0.10 0.80 -0.40 0.00 5.75 -1.92 -2.11 115.11 117.33 3bd6 h GLN 729 Ca 0.02 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 3bd6 h GLN 729 Cb 0.42 -0.18 -0.08 0.00 1.07 0.00 0.00 27.48 28.71 3bd6 h GLN 729 CO 0.03 0.53 -0.10 1.49 -2.65 0.00 0.00 178.83 178.12 3bd6 h GLU 730 N 0.82 -0.00 -0.37 1.69 4.81 -1.93 0.78 114.58 120.38 3bd6 h GLU 730 Ca 0.40 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3bd6 h GLU 730 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3bd6 h GLU 730 CO -0.17 -0.00 0.02 1.88 -0.73 0.00 0.00 179.01 180.01 3bd6 h TYR 731 N -0.00 0.71 -0.63 0.92 -1.99 -1.55 -2.24 116.97 112.18 3bd6 h TYR 731 Ca 0.19 -0.12 0.09 0.00 2.00 0.00 0.00 58.73 60.90 3bd6 h TYR 731 Cb 0.30 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 38.77 3bd6 h TYR 731 CO -0.36 0.73 0.26 -0.92 -0.00 0.00 0.00 178.16 177.88 3bd6 h TYR 732 N 0.48 0.46 -0.24 4.88 5.03 -1.10 -1.25 116.97 125.23 3bd6 h TYR 732 Ca 0.11 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.36 3bd6 h TYR 732 Cb 0.44 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.59 3bd6 h TYR 732 CO 0.03 0.14 -0.24 -0.44 -1.32 0.00 0.00 178.16 176.34 3bd6 h ASP 733 N 0.47 0.45 -0.00 -2.11 3.32 -0.61 -3.32 116.42 114.62 3bd6 h ASP 733 Ca 0.31 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3bd6 h ASP 733 Cb 0.35 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3bd6 h ASP 733 CO -0.28 0.69 -0.77 0.54 -1.72 0.00 0.00 179.24 177.70 3bd6 n ARG 734 N -4.13 0.95 -3.99 3.56 1.74 -0.86 -4.77 116.66 109.15 3bd6 n ARG 734 Ca -0.00 -0.24 -0.31 0.00 -0.77 0.00 0.00 57.85 56.53 3bd6 n ARG 734 Cb 0.39 -1.39 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3bd6 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3bd6 s ILE 735 N -2.64 2.12 0.33 0.55 1.01 -0.50 -5.00 121.20 117.06 3bd6 s ILE 735 Ca 0.10 -2.24 0.02 0.00 0.00 0.00 0.00 60.65 58.52 3bd6 s ILE 735 Cb 0.15 -2.57 0.28 0.00 0.01 0.00 0.00 42.46 40.32 3bd6 s ILE 735 CO 0.70 -0.61 1.96 -0.65 0.00 0.00 0.00 174.94 176.34 3bd6 h PRO 736 N 7.67 0.92 -0.34 2.79 0.11 -1.86 -1.54 132.00 139.74 3bd6 h PRO 736 Ca -0.05 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 3bd6 h PRO 736 Cb 1.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3bd6 h PRO 736 CO 0.51 0.61 -0.21 0.93 -0.21 0.00 0.00 178.00 179.64 3bd6 h GLU 737 N 0.94 0.65 -0.41 1.05 5.08 -1.95 -1.89 114.58 118.06 3bd6 h GLU 737 Ca 0.32 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 3bd6 h GLU 737 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3bd6 h GLU 737 CO -0.10 0.81 -0.35 1.25 -1.00 0.00 0.00 179.01 179.63 3bd6 h LEU 738 N 0.58 1.02 -0.42 1.33 5.85 -1.80 -3.04 115.31 118.82 3bd6 h LEU 738 Ca 0.09 -0.45 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3bd6 h LEU 738 Cb 0.67 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3bd6 h LEU 738 CO 0.05 1.25 0.23 -0.09 -0.34 0.00 0.00 178.44 179.54 3bd6 h ARG 739 N 0.79 0.45 -0.71 1.25 2.43 -1.10 -2.53 114.38 114.97 3bd6 h ARG 739 Ca 0.07 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 3bd6 h ARG 739 Cb 0.94 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.32 3bd6 h ARG 739 CO 0.09 0.30 0.37 0.37 -1.51 0.00 0.00 179.97 179.59 3bd6 h GLN 740 N 0.46 0.64 -0.27 0.20 4.15 -1.32 -0.91 115.11 118.05 3bd6 h GLN 740 Ca 0.17 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3bd6 h GLN 740 Cb 0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3bd6 h GLN 740 CO -0.10 0.42 0.11 0.82 -1.93 0.00 0.00 178.83 178.15 3bd6 h ILE 741 N 0.65 1.17 -0.84 2.39 2.04 -1.38 -0.22 117.51 121.33 3bd6 h ILE 741 Ca 0.33 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3bd6 h ILE 741 Cb 0.29 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3bd6 h ILE 741 CO -0.23 0.18 0.44 0.40 0.00 0.00 0.00 178.15 178.94 3bd6 h ILE 742 N 0.29 1.25 -0.59 -0.67 1.08 -1.12 -0.07 117.51 117.68 3bd6 h ILE 742 Ca 0.09 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.89 3bd6 h ILE 742 Cb 0.18 0.14 -0.03 0.00 -3.07 0.00 0.00 36.82 34.04 3bd6 h ILE 742 CO -0.01 0.29 0.31 -0.33 -0.69 0.00 0.00 178.15 177.72 3bd6 h GLU 743 N 1.18 0.83 -0.61 2.37 5.08 -0.96 -0.58 114.58 121.89 3bd6 h GLU 743 Ca 0.29 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3bd6 h GLU 743 Cb 0.06 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3bd6 h GLU 743 CO -0.04 0.65 0.38 1.96 -1.00 0.00 0.00 179.01 180.95 3bd6 h GLN 744 N 0.80 0.82 -0.33 2.33 4.20 -0.40 0.63 115.11 123.16 3bd6 h GLN 744 Ca 0.21 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3bd6 h GLN 744 Cb 0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3bd6 h GLN 744 CO -0.03 0.57 0.07 -0.07 -0.67 0.00 0.00 178.83 178.70 3bd6 h LEU 745 N 0.82 0.51 -0.50 1.46 3.38 -0.85 -1.41 115.31 118.73 3bd6 h LEU 745 Ca 0.22 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3bd6 h LEU 745 Cb -0.05 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3bd6 h LEU 745 CO -0.04 0.62 -0.08 0.28 0.09 0.00 0.00 178.44 179.31 3bd6 h SER 746 N 0.37 0.93 1.46 -0.43 0.02 -0.90 -3.22 113.55 111.79 3bd6 h SER 746 Ca 0.10 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3bd6 h SER 746 Cb 0.32 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3bd6 h SER 746 CO 0.00 1.05 0.00 0.77 -1.14 0.00 0.00 176.83 177.52 3bd6 h SER 747 N 0.79 0.00 0.00 3.07 4.64 -0.90 -3.43 113.55 117.71 3bd6 h SER 747 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3bd6 h SER 747 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3bd6 h SER 747 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3bd6 n GLY 748 N 0.86 1.41 0.33 -0.77 0.00 -1.12 -4.85 105.19 101.06 3bd6 n GLY 748 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3bd6 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3bd6 h PHE 749 N 0.00 0.93 -0.34 1.61 3.04 -1.52 -2.44 116.94 118.22 3bd6 h PHE 749 Ca 0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 3bd6 h PHE 749 Cb 0.03 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.24 3bd6 h PHE 749 CO 0.00 0.65 0.00 1.19 -2.02 0.00 0.00 178.31 178.13 3bd6 n PHE 750 N -4.36 0.44 -2.95 0.41 3.72 -1.26 -4.56 117.46 108.90 3bd6 n PHE 750 Ca 0.07 -0.22 -0.13 0.00 -0.05 0.00 0.00 57.45 57.11 3bd6 n PHE 750 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 3bd6 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3bd6 n SER 751 N 1.23 -2.09 -0.11 4.37 3.41 -0.95 -4.78 113.62 114.70 3bd6 n SER 751 Ca 0.19 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 3bd6 n SER 751 Cb 0.54 0.92 0.28 0.00 -0.26 0.00 0.00 64.21 65.69 3bd6 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3bd6 h PRO 752 N 4.64 0.78 0.00 4.33 0.11 -1.73 -2.56 132.00 137.56 3bd6 h PRO 752 Ca 0.04 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 65.89 3bd6 h PRO 752 Cb 1.01 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3bd6 h PRO 752 CO 0.26 0.60 -0.81 0.87 -0.21 0.00 0.00 178.00 178.71 3bd6 h LYS 753 N 0.78 0.00 -2.61 1.05 1.57 -1.96 -3.37 116.57 112.04 3bd6 h LYS 753 Ca 0.20 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.37 3bd6 h LYS 753 Cb 0.08 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.97 3bd6 h LYS 753 CO -0.03 0.76 -0.70 1.04 -0.57 0.00 0.00 179.45 179.95 3bd6 n GLN 754 N -3.28 1.65 0.15 3.15 6.02 -1.00 -4.99 117.38 119.07 3bd6 n GLN 754 Ca 0.00 -4.20 0.18 0.00 -0.01 0.00 0.00 57.00 52.98 3bd6 n GLN 754 Cb 0.85 -2.07 0.78 0.00 1.02 0.00 0.00 30.24 30.82 3bd6 n GLN 754 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3bd6 h PRO 755 N 4.94 0.00 -0.63 -1.09 0.13 -1.64 -0.95 132.00 132.75 3bd6 h PRO 755 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3bd6 h PRO 755 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3bd6 h PRO 755 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 3bd6 n ASP 756 N -3.87 4.38 -0.34 1.44 3.85 -1.26 -3.29 116.55 117.46 3bd6 n ASP 756 Ca 0.04 -2.32 0.12 0.00 -0.71 0.00 0.00 54.79 51.92 3bd6 n ASP 756 Cb 0.45 -0.53 0.30 0.00 -1.35 0.00 0.00 41.12 39.99 3bd6 n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3bd6 h LEU 757 N 3.87 0.73 -3.59 -2.12 5.85 -1.50 -2.11 115.31 116.44 3bd6 h LEU 757 Ca 0.00 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3bd6 h LEU 757 Cb 1.28 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3bd6 h LEU 757 CO 0.15 0.26 0.07 0.49 -0.34 0.00 0.00 178.44 179.08 3bd6 n PHE 758 N -4.79 2.10 -0.08 1.25 3.01 -1.26 -4.54 117.46 113.14 3bd6 n PHE 758 Ca 0.22 -0.88 0.04 0.00 1.01 0.00 0.00 57.45 57.84 3bd6 n PHE 758 Cb 0.54 -0.55 0.38 0.00 -0.01 0.00 0.00 39.48 39.84 3bd6 n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3bd6 h LYS 759 N 3.43 0.65 -0.55 -1.08 2.10 -1.70 -1.90 116.57 117.53 3bd6 h LYS 759 Ca 0.08 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.60 3bd6 h LYS 759 Cb 2.04 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 33.20 3bd6 h LYS 759 CO 0.54 0.43 -0.00 -0.44 -2.00 0.00 0.00 179.45 177.98 3bd6 h ASP 760 N 0.67 0.92 -0.10 7.07 3.32 -1.83 -0.94 116.42 125.52 3bd6 h ASP 760 Ca 0.22 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3bd6 h ASP 760 Cb 0.04 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3bd6 h ASP 760 CO -0.05 0.98 -0.03 0.40 -1.72 0.00 0.00 179.24 178.81 3bd6 h ILE 761 N 0.87 1.30 -0.36 0.35 2.04 -1.71 -1.88 117.51 118.12 3bd6 h ILE 761 Ca 0.16 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3bd6 h ILE 761 Cb 0.52 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3bd6 h ILE 761 CO 0.03 0.28 0.23 0.58 0.00 0.00 0.00 178.15 179.27 3bd6 h VAL 762 N -0.13 1.07 -0.68 1.67 2.07 -1.33 -1.30 116.25 117.64 3bd6 h VAL 762 Ca 0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3bd6 h VAL 762 Cb 0.46 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3bd6 h VAL 762 CO 0.01 0.08 0.42 -1.13 0.02 0.00 0.00 177.57 176.97 3bd6 h ASN 763 N 0.47 0.81 -0.08 0.57 -1.24 -1.17 -0.16 115.58 114.77 3bd6 h ASN 763 Ca 0.13 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 3bd6 h ASN 763 Cb -0.04 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 3bd6 h ASN 763 CO -0.04 0.62 0.05 -0.03 -1.29 0.00 0.00 177.43 176.74 3bd6 h MET 764 N 0.92 0.11 -0.78 6.67 4.05 -1.15 -0.03 114.93 124.72 3bd6 h MET 764 Ca 0.24 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.68 3bd6 h MET 764 Cb -0.04 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.69 3bd6 h MET 764 CO -0.05 0.14 0.50 -0.07 0.23 0.00 0.00 176.91 177.67 3bd6 h LEU 765 N 0.05 0.84 0.02 3.39 4.07 -0.91 -1.05 115.31 121.71 3bd6 h LEU 765 Ca 0.03 -0.01 -0.24 0.00 0.08 0.00 0.00 57.88 57.74 3bd6 h LEU 765 Cb 0.06 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3bd6 h LEU 765 CO -0.00 0.58 -1.09 0.24 -1.08 0.00 0.00 178.44 177.08 3bd6 h MET 766 N 0.99 0.14 0.00 1.13 2.86 -0.94 -3.42 114.93 115.69 3bd6 h MET 766 Ca 0.31 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3bd6 h MET 766 Cb -0.01 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3bd6 h MET 766 CO -0.10 1.09 -0.81 0.72 1.06 0.00 0.00 176.91 178.87 3bd6 n HIS 767 N -3.47 0.00 -2.67 -0.22 8.25 -0.04 -4.43 115.22 112.64 3bd6 n HIS 767 Ca -0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 3bd6 n HIS 767 Cb 0.96 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.10 3bd6 n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3bd6 n HIS 768 N -1.74 1.22 -3.03 4.41 -0.00 -0.48 -5.04 115.22 110.56 3bd6 n HIS 768 Ca 0.00 -2.84 -0.44 0.00 -0.00 0.00 0.00 57.72 54.44 3bd6 n HIS 768 Cb 0.41 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 29.98 3bd6 n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3bd6 s ASP 769 N -3.12 6.18 0.57 4.39 2.15 -0.73 -4.87 116.67 121.26 3bd6 s ASP 769 Ca 0.28 -1.24 0.38 0.00 0.43 0.00 0.00 52.55 52.40 3bd6 s ASP 769 Cb 0.45 -2.34 1.89 0.00 -0.30 0.00 0.00 42.92 42.62 3bd6 s ASP 769 CO 0.03 -1.21 2.14 0.03 -0.17 0.00 0.00 175.17 175.99 3bd6 h ARG 770 N 9.30 0.00 -0.18 4.34 3.08 -1.97 -3.20 114.38 125.74 3bd6 h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3bd6 h ARG 770 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3bd6 h ARG 770 CO 1.12 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.21 3bd6 n PHE 771 N -2.94 0.24 -3.72 3.04 3.72 -1.26 -5.02 117.46 111.52 3bd6 n PHE 771 Ca -0.01 -0.40 -0.22 0.00 -0.05 0.00 0.00 57.45 56.76 3bd6 n PHE 771 Cb 0.15 -0.03 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3bd6 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3bd6 n LYS 772 N 0.20 -4.93 -0.11 -1.08 5.02 -1.21 -4.73 118.16 111.31 3bd6 n LYS 772 Ca 0.07 0.61 -0.05 0.00 -2.02 0.00 0.00 58.31 56.92 3bd6 n LYS 772 Cb 0.33 -5.19 0.02 0.00 -0.02 0.00 0.00 35.03 30.17 3bd6 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3bd6 h VAL 773 N -1.89 0.66 -0.69 -0.18 2.07 -1.94 -2.65 116.25 111.63 3bd6 h VAL 773 Ca -0.61 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3bd6 h VAL 773 Cb 1.36 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 3bd6 h VAL 773 CO 0.57 0.01 0.45 -0.26 0.02 0.00 0.00 177.57 178.36 3bd6 h PHE 774 N 0.05 0.88 0.00 1.57 0.05 -1.91 -2.92 116.94 114.66 3bd6 h PHE 774 Ca 0.19 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 3bd6 h PHE 774 Cb 0.28 -0.30 -0.00 0.00 2.00 0.00 0.00 35.95 37.93 3bd6 h PHE 774 CO -0.30 0.56 -0.11 0.00 -0.18 0.00 0.00 178.31 178.28 3bd6 h ALA 775 N 1.55 1.60 -0.03 2.45 0.00 -1.85 -2.38 119.26 120.60 3bd6 h ALA 775 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bd6 h ALA 775 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3bd6 h ALA 775 CO -0.05 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 3bd6 n ASP 776 N -4.09 2.86 0.09 0.00 8.00 -1.11 -4.68 116.55 117.62 3bd6 n ASP 776 Ca -0.02 -1.93 -0.13 0.00 0.71 0.00 0.00 54.79 53.42 3bd6 n ASP 776 Cb 0.19 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 3bd6 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3bd6 h TYR 777 N 4.36 -0.14 0.09 1.24 5.03 -1.34 -1.48 116.97 124.74 3bd6 h TYR 777 Ca 0.00 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 3bd6 h TYR 777 Cb 0.93 0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.25 3bd6 h TYR 777 CO 0.00 -0.07 -0.04 0.93 -1.32 0.00 0.00 178.16 177.67 3bd6 h GLU 778 N -0.17 -0.11 -0.45 1.82 5.08 -1.83 -1.71 114.58 117.20 3bd6 h GLU 778 Ca -0.02 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3bd6 h GLU 778 Cb 0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3bd6 h GLU 778 CO 0.02 -0.07 0.16 0.93 -1.00 0.00 0.00 179.01 179.06 3bd6 h GLU 779 N -0.13 0.66 -0.02 2.33 5.08 -1.87 -2.35 114.58 118.27 3bd6 h GLU 779 Ca -0.01 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3bd6 h GLU 779 Cb 0.10 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3bd6 h GLU 779 CO 0.02 0.56 0.00 -0.92 -1.00 0.00 0.00 179.01 177.67 3bd6 h TYR 780 N 0.65 0.03 -0.49 4.33 3.20 -1.02 -0.97 116.97 122.70 3bd6 h TYR 780 Ca 0.16 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3bd6 h TYR 780 Cb 0.17 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3bd6 h TYR 780 CO 0.01 0.28 0.27 0.28 -1.64 0.00 0.00 178.16 177.35 3bd6 h VAL 781 N -0.22 1.17 -0.83 1.81 2.07 -1.21 -0.71 116.25 118.33 3bd6 h VAL 781 Ca 0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3bd6 h VAL 781 Cb 0.26 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3bd6 h VAL 781 CO 0.00 0.18 0.45 0.11 0.02 0.00 0.00 177.57 178.34 3bd6 h LYS 782 N 0.65 1.16 -0.64 1.57 1.57 -1.44 -2.10 116.57 117.34 3bd6 h LYS 782 Ca 0.17 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3bd6 h LYS 782 Cb 0.05 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3bd6 h LYS 782 CO -0.03 0.85 0.14 0.00 -0.57 0.00 0.00 179.45 179.85 3bd6 h GLN 784 N 0.95 0.33 -0.76 0.00 1.08 -0.87 -1.55 115.11 114.29 3bd6 h GLN 784 Ca 0.20 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3bd6 h GLN 784 Cb 0.38 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3bd6 h GLN 784 CO 0.00 0.22 0.26 0.93 -0.95 0.00 0.00 178.83 179.29 3bd6 h GLU 785 N 0.34 1.18 -0.38 1.46 5.08 -0.98 -2.07 114.58 119.21 3bd6 h GLU 785 Ca 0.09 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 3bd6 h GLU 785 Cb -0.03 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3bd6 h GLU 785 CO -0.02 0.99 -0.08 0.00 -1.00 0.00 0.00 179.01 178.90 3bd6 h ARG 786 N 1.13 0.64 -0.20 2.33 3.08 -1.04 -1.55 114.38 118.76 3bd6 h ARG 786 Ca 0.25 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3bd6 h ARG 786 Cb 0.29 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3bd6 h ARG 786 CO -0.01 0.71 0.10 0.28 -1.07 0.00 0.00 179.97 179.98 3bd6 h VAL 787 N 0.59 1.13 -0.73 2.04 2.07 -1.20 -2.27 116.25 117.89 3bd6 h VAL 787 Ca 0.11 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3bd6 h VAL 787 Cb 0.49 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3bd6 h VAL 787 CO 0.03 0.13 0.36 0.28 0.02 0.00 0.00 177.57 178.38 3bd6 h SER 788 N 0.19 0.93 -0.29 0.57 0.02 -1.17 -1.60 113.55 112.21 3bd6 h SER 788 Ca 0.07 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3bd6 h SER 788 Cb 0.12 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3bd6 h SER 788 CO -0.01 0.78 0.17 0.00 -1.14 0.00 0.00 176.83 176.64 3bd6 h ALA 789 N 1.36 0.37 -0.49 3.77 0.00 -1.17 -2.86 119.26 120.23 3bd6 h ALA 789 Ca 0.25 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3bd6 h ALA 789 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3bd6 h ALA 789 CO -0.03 -0.12 -0.08 1.25 0.00 0.00 0.00 179.25 180.26 3bd6 h LEU 790 N 0.37 0.87 -1.91 0.00 6.46 -1.11 -2.97 115.31 117.01 3bd6 h LEU 790 Ca 0.10 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 3bd6 h LEU 790 Cb 0.02 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.71 3bd6 h LEU 790 CO -0.02 0.98 -0.11 0.22 -0.62 0.00 0.00 178.44 178.89 3bd6 h TYR 791 N 0.80 0.00 0.00 1.25 3.20 -1.17 -0.98 116.97 120.07 3bd6 h TYR 791 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3bd6 h TYR 791 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3bd6 h TYR 791 CO 0.03 0.11 0.00 0.87 -1.64 0.00 0.00 178.16 177.53 3bd6 h LYS 792 N 0.00 0.00 -3.29 1.82 1.57 -1.34 -3.33 116.57 112.00 3bd6 h LYS 792 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3bd6 h LYS 792 Cb 0.23 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.14 3bd6 h LYS 792 CO 0.01 0.00 -0.48 1.21 -0.57 0.00 0.00 179.45 179.62 3bd6 s ASN 793 N -4.87 4.91 0.30 0.86 3.84 -0.37 -4.99 114.94 114.62 3bd6 s ASN 793 Ca -0.03 -3.41 0.06 0.00 0.21 0.00 0.00 52.86 49.69 3bd6 s ASN 793 Cb 0.10 -1.72 0.76 0.00 -0.55 0.00 0.00 41.25 39.85 3bd6 s ASN 793 CO 0.37 -0.19 1.74 -0.65 -2.79 0.00 0.00 177.10 175.58 3bd6 h PRO 794 N 6.10 0.57 -0.47 0.43 0.11 -1.77 -1.03 132.00 135.95 3bd6 h PRO 794 Ca 0.05 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 3bd6 h PRO 794 Cb 0.84 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3bd6 h PRO 794 CO 0.73 0.38 0.10 -0.09 -0.21 0.00 0.00 178.00 178.91 3bd6 h ARG 795 N 0.59 0.76 0.01 1.05 2.43 -1.94 -1.29 114.38 115.99 3bd6 h ARG 795 Ca 0.58 -0.19 -0.21 0.00 -0.81 0.00 0.00 59.98 59.36 3bd6 h ARG 795 Cb 1.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3bd6 h ARG 795 CO -0.45 0.75 -0.92 0.93 -1.51 0.00 0.00 179.97 178.78 3bd6 h GLU 796 N 0.63 0.19 0.09 0.20 4.39 -1.67 -1.58 114.58 116.83 3bd6 h GLU 796 Ca 0.14 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.64 3bd6 h GLU 796 Cb 0.35 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 3bd6 h GLU 796 CO 0.00 0.98 -0.18 2.35 -1.16 0.00 0.00 179.01 181.00 3bd6 h TRP 797 N 0.10 -0.48 -0.60 4.33 2.91 -1.15 -2.33 115.95 118.74 3bd6 h TRP 797 Ca -0.05 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 3bd6 h TRP 797 Cb 1.57 0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 30.39 3bd6 h TRP 797 CO 0.03 -0.27 0.21 1.15 -1.03 0.00 0.00 178.44 178.53 3bd6 h THR 798 N -0.34 1.22 -0.77 2.65 2.02 -1.19 -1.05 112.91 115.44 3bd6 h THR 798 Ca 0.03 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.43 3bd6 h THR 798 Cb 0.37 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 3bd6 h THR 798 CO -0.11 0.28 0.29 0.03 0.37 0.00 0.00 175.52 176.38 3bd6 h ARG 799 N 0.87 1.17 -0.60 6.66 3.08 -1.20 -0.09 114.38 124.26 3bd6 h ARG 799 Ca 0.20 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3bd6 h ARG 799 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3bd6 h ARG 799 CO -0.01 0.96 -0.01 1.98 -1.07 0.00 0.00 179.97 181.81 3bd6 h MET 800 N 1.13 1.07 -0.29 0.04 4.05 -0.99 -2.27 114.93 117.67 3bd6 h MET 800 Ca 0.25 -0.35 0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3bd6 h MET 800 Cb 0.25 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 3bd6 h MET 800 CO -0.02 1.05 0.00 0.28 0.23 0.00 0.00 176.91 178.46 3bd6 h VAL 801 N 0.96 0.80 -0.84 -5.77 2.07 -0.74 -1.67 116.25 111.06 3bd6 h VAL 801 Ca 0.17 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3bd6 h VAL 801 Cb 0.58 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3bd6 h VAL 801 CO 0.03 0.02 0.55 0.40 0.02 0.00 0.00 177.57 178.59 3bd6 h ILE 802 N 0.09 1.12 -0.07 4.57 2.04 -0.84 -0.79 117.51 123.62 3bd6 h ILE 802 Ca 0.14 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3bd6 h ILE 802 Cb 0.18 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3bd6 h ILE 802 CO -0.23 0.19 -0.25 0.03 0.00 0.00 0.00 178.15 177.89 3bd6 h ARG 803 N 1.02 0.11 0.18 2.37 3.08 -0.81 -1.28 114.38 119.06 3bd6 h ARG 803 Ca 0.34 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3bd6 h ARG 803 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3bd6 h ARG 803 CO -0.11 0.37 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.16 3bd6 h ASN 804 N 0.11 -0.21 -0.73 7.04 -0.26 -0.29 -3.18 115.58 118.05 3bd6 h ASN 804 Ca 0.02 -0.32 0.10 0.00 -0.56 0.00 0.00 56.30 55.53 3bd6 h ASN 804 Cb 0.51 0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 37.75 3bd6 h ASN 804 CO 0.04 0.33 0.37 0.40 -1.06 0.00 0.00 177.43 177.51 3bd6 h ILE 805 N -0.86 0.84 0.00 2.81 2.04 -1.20 -2.18 117.51 118.96 3bd6 h ILE 805 Ca -0.02 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3bd6 h ILE 805 Cb 0.52 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3bd6 h ILE 805 CO 0.04 0.11 -0.13 0.00 0.00 0.00 0.00 178.15 178.17 3bd6 h ALA 806 N 1.44 1.46 -0.39 1.87 0.00 -1.34 -2.64 119.26 119.66 3bd6 h ALA 806 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3bd6 h ALA 806 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3bd6 h ALA 806 CO -0.28 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.39 3bd6 n THR 807 N -3.91 1.81 1.44 0.00 -2.24 -0.86 -2.19 114.28 108.34 3bd6 n THR 807 Ca -0.02 -1.43 0.14 0.00 -2.27 0.00 0.00 64.05 60.47 3bd6 n THR 807 Cb 0.22 0.07 0.63 0.00 -2.10 0.00 0.00 70.33 69.15 3bd6 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3bd6 n SER 808 N 0.23 0.47 -0.35 3.42 3.41 -0.99 -4.37 113.62 115.45 3bd6 n SER 808 Ca 0.20 -0.62 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 3bd6 n SER 808 Cb 0.76 -0.07 0.33 0.00 -0.26 0.00 0.00 64.21 64.97 3bd6 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bd6 h GLY 809 N 4.96 1.71 1.55 5.00 0.00 -1.79 -1.71 103.07 112.78 3bd6 h GLY 809 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3bd6 h GLY 809 CO 0.00 -0.04 0.19 1.70 0.00 0.00 0.00 176.54 178.38 3bd6 h LYS 810 N 0.75 0.00 -0.64 4.80 3.64 -1.89 -2.80 116.57 120.43 3bd6 h LYS 810 Ca 0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 3bd6 h LYS 810 Cb 0.90 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3bd6 h LYS 810 CO -0.36 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.01 3bd6 n PHE 811 N -3.71 1.37 -2.38 1.91 3.01 -0.64 -4.75 117.46 112.28 3bd6 n PHE 811 Ca 0.01 -0.53 -0.41 0.00 1.01 0.00 0.00 57.45 57.53 3bd6 n PHE 811 Cb 0.30 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 3bd6 n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3bd6 s SER 812 N -0.79 7.09 0.26 4.37 0.15 -1.06 -0.78 113.70 122.95 3bd6 s SER 812 Ca 0.44 2.23 0.22 0.00 0.70 0.00 0.00 55.95 59.54 3bd6 s SER 812 Cb 0.29 -2.61 1.00 0.00 -1.71 0.00 0.00 66.02 63.00 3bd6 s SER 812 CO 0.19 -0.36 1.67 -1.54 1.20 0.00 0.00 173.24 174.40 3bd6 n SER 813 N 2.46 0.60 -0.28 5.45 3.41 -0.05 -1.84 113.62 123.37 3bd6 n SER 813 Ca 0.04 0.68 -0.05 0.00 -0.26 0.00 0.00 58.87 59.28 3bd6 n SER 813 Cb 0.45 -0.80 0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3bd6 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3bd6 h ASP 814 N 0.00 0.99 -0.15 4.04 3.32 -1.92 0.27 116.42 122.98 3bd6 h ASP 814 Ca 0.00 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3bd6 h ASP 814 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3bd6 h ASP 814 CO 0.00 0.84 0.04 -0.09 -1.72 0.00 0.00 179.24 178.30 3bd6 h ARG 815 N 1.07 0.23 -0.22 3.56 1.12 -1.68 -1.71 114.38 116.76 3bd6 h ARG 815 Ca 0.26 -0.06 0.04 0.00 -1.11 0.00 0.00 59.98 59.12 3bd6 h ARG 815 Cb 0.10 -0.03 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 3bd6 h ARG 815 CO -0.04 0.39 -0.06 1.15 -3.11 0.00 0.00 179.97 178.30 3bd6 h THR 816 N 0.04 0.77 -0.43 0.20 2.02 -1.40 -2.11 112.91 111.99 3bd6 h THR 816 Ca 0.05 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 3bd6 h THR 816 Cb 0.26 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3bd6 h THR 816 CO 0.00 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 176.10 3bd6 h ILE 817 N -0.01 1.27 -0.77 3.11 1.08 -0.94 -1.89 117.51 119.36 3bd6 h ILE 817 Ca 0.11 -1.31 0.04 0.00 -0.39 0.00 0.00 64.86 63.31 3bd6 h ILE 817 Cb 0.17 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 3bd6 h ILE 817 CO -0.23 0.45 0.50 0.00 -0.69 0.00 0.00 178.15 178.18 3bd6 h ALA 818 N 1.04 1.58 -0.14 1.87 0.00 -1.07 0.96 119.26 123.50 3bd6 h ALA 818 Ca 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3bd6 h ALA 818 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3bd6 h ALA 818 CO 0.05 0.32 -0.11 1.96 0.00 0.00 0.00 179.25 181.48 3bd6 h GLN 819 N 0.90 0.32 -0.44 0.00 4.20 -0.83 -1.76 115.11 117.49 3bd6 h GLN 819 Ca 0.31 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 58.94 3bd6 h GLN 819 Cb 0.12 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 3bd6 h GLN 819 CO -0.10 0.69 0.05 1.88 -0.67 0.00 0.00 178.83 180.68 3bd6 h TYR 820 N -0.05 0.06 -0.11 2.96 0.05 -1.10 0.75 116.97 119.53 3bd6 h TYR 820 Ca 0.02 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.86 3bd6 h TYR 820 Cb 0.62 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 3bd6 h TYR 820 CO 0.08 -0.04 -0.04 0.00 -1.05 0.00 0.00 178.16 177.11 3bd6 h ALA 821 N 1.36 0.07 0.08 3.88 0.00 -0.73 0.03 119.26 123.96 3bd6 h ALA 821 Ca 0.22 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 3bd6 h ALA 821 Cb 0.30 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.21 3bd6 h ALA 821 CO -0.32 -0.49 -1.19 0.00 0.00 0.00 0.00 179.25 177.25 3bd6 h ARG 822 N -0.01 0.65 0.00 0.00 3.08 -1.18 0.14 114.38 117.06 3bd6 h ARG 822 Ca 0.06 -0.82 0.00 0.00 0.07 0.00 0.00 59.98 59.29 3bd6 h ARG 822 Cb 0.10 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3bd6 h ARG 822 CO -0.13 1.37 -1.45 0.39 -1.07 0.00 0.00 179.97 179.08 3bd6 n GLU 823 N -3.82 0.45 0.01 0.04 1.02 0.24 -4.29 120.64 114.30 3bd6 n GLU 823 Ca -0.13 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3bd6 n GLU 823 Cb 0.96 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3bd6 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bd6 n ILE 824 N -2.12 0.22 0.16 -3.67 5.41 -0.18 -4.87 119.36 114.31 3bd6 n ILE 824 Ca -0.01 0.07 0.10 0.00 1.00 0.00 0.00 62.75 63.91 3bd6 n ILE 824 Cb 0.49 -1.42 0.08 0.00 -0.71 0.00 0.00 39.64 38.09 3bd6 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 3bd6 h TRP 825 N 0.00 0.00 -3.56 1.39 6.55 -1.04 -3.48 115.95 115.80 3bd6 h TRP 825 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 3bd6 h TRP 825 Cb 0.73 0.00 0.07 0.00 -0.86 0.00 0.00 29.16 29.10 3bd6 h TRP 825 CO 0.00 0.10 -0.36 0.41 -1.05 0.00 0.00 178.44 177.54 3bd6 n GLY 826 N 1.16 0.15 3.17 1.49 0.00 0.32 -4.93 105.19 106.55 3bd6 n GLY 826 Ca 0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3bd6 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bd6 s VAL 827 N -3.17 0.97 -0.22 1.61 -7.23 -0.26 -5.02 120.40 107.08 3bd6 s VAL 827 Ca 0.23 -1.49 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 3bd6 s VAL 827 Cb -0.10 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.58 3bd6 s VAL 827 CO 0.37 -0.44 0.13 -1.61 -0.31 0.00 0.00 175.10 173.25 3bd6 s GLU 828 N -2.36 4.07 0.71 4.82 0.41 -1.26 -3.52 118.70 121.56 3bd6 s GLU 828 Ca 0.02 -0.28 -0.15 0.00 -0.41 0.00 0.00 54.97 54.15 3bd6 s GLU 828 Cb -0.06 -3.45 0.03 0.00 -1.78 0.00 0.00 34.13 28.87 3bd6 s GLU 828 CO 0.01 0.14 1.16 -2.14 -0.49 0.00 0.00 175.26 173.94 3bd6 s PRO 829 N 0.82 2.37 -0.05 0.39 0.02 -1.26 -4.94 135.00 132.35 3bd6 s PRO 829 Ca 0.07 1.60 -0.02 0.00 0.02 0.00 0.00 61.00 62.67 3bd6 s PRO 829 Cb -0.13 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.55 3bd6 s PRO 829 CO 0.02 -1.63 0.10 0.45 -0.33 0.00 0.00 177.00 175.61 3bd6 s SER 830 N -2.29 0.12 0.00 2.53 0.15 0.51 -5.02 113.70 109.71 3bd6 s SER 830 Ca 0.71 0.19 0.20 0.00 0.70 0.00 0.00 55.95 57.75 3bd6 s SER 830 Cb -0.25 0.07 0.58 0.00 -1.71 0.00 0.00 66.02 64.71 3bd6 s SER 830 CO 0.44 -0.16 1.46 0.54 1.20 0.00 0.00 173.24 176.73 3bd6 n ARG 831 N 4.37 2.03 -2.33 5.44 5.12 -1.26 -3.23 116.66 126.80 3bd6 n ARG 831 Ca -0.24 -1.57 -0.41 0.00 -1.93 0.00 0.00 57.85 53.70 3bd6 n ARG 831 Cb 0.51 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.35 3bd6 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3bd6 s GLN 832 N -1.63 4.45 0.34 5.56 -0.21 -1.26 -5.01 119.66 121.90 3bd6 s GLN 832 Ca 0.34 1.91 -0.28 0.00 0.02 0.00 0.00 55.36 57.35 3bd6 s GLN 832 Cb 0.19 -3.24 -0.10 0.00 1.00 0.00 0.00 33.01 30.85 3bd6 s GLN 832 CO 0.27 -0.17 1.28 1.03 -2.12 0.00 0.00 175.29 175.58 3bd6 s ARG 833 N 0.05 4.33 0.34 2.91 3.00 -1.26 -4.96 118.95 123.34 3bd6 s ARG 833 Ca 0.55 2.15 -0.20 0.00 0.00 0.00 0.00 55.73 58.23 3bd6 s ARG 833 Cb -0.33 -3.03 -0.10 0.00 0.00 0.00 0.00 34.95 31.50 3bd6 s ARG 833 CO 0.36 -0.19 0.84 -0.51 0.00 0.00 0.00 175.30 175.79 3bd6 s LEU 834 N -1.87 4.13 0.37 2.53 1.43 -0.19 -5.04 118.68 120.04 3bd6 s LEU 834 Ca 0.50 1.53 -0.28 0.00 -1.03 0.00 0.00 54.13 54.84 3bd6 s LEU 834 Cb -0.38 -4.11 -0.11 0.00 0.03 0.00 0.00 46.19 41.62 3bd6 s LEU 834 CO 0.50 -0.18 1.48 -2.16 0.23 0.00 0.00 176.35 176.22 3bd6 s PRO 835 N -2.68 4.13 0.00 1.29 0.04 -1.26 -4.61 135.00 131.90 3bd6 s PRO 835 Ca 0.54 2.55 0.26 0.00 0.04 0.00 0.00 61.00 64.38 3bd6 s PRO 835 Cb -0.13 -2.98 0.54 0.00 0.04 0.00 0.00 34.50 31.98 3bd6 s PRO 835 CO 0.18 -0.51 1.46 0.00 0.04 0.00 0.00 177.00 178.16