#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlb n LEU 4 N 0.00 0.00 -4.77 2.41 -0.00 -1.26 -4.10 117.00 109.28 3dlb n LEU 4 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 3dlb n LEU 4 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 3dlb n LEU 4 CO 0.00 0.00 1.09 -0.83 -0.00 0.00 0.00 177.39 177.65 3dlb s GLY 5 N 0.00 2.94 0.18 1.47 0.00 -1.26 -4.77 107.32 105.87 3dlb s GLY 5 Ca 0.00 1.49 -0.12 0.00 0.00 0.00 0.00 44.72 46.09 3dlb s GLY 5 CO 0.00 2.13 0.54 0.54 0.00 0.00 0.00 173.10 176.31 3dlb s LYS 6 N -2.25 3.88 -0.09 2.90 1.02 -1.26 -3.67 119.74 120.28 3dlb s LYS 6 Ca 0.56 0.37 -0.01 0.00 0.02 0.00 0.00 55.97 56.91 3dlb s LYS 6 Cb -0.44 -2.80 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3dlb s LYS 6 CO 0.59 0.41 -0.00 0.99 -0.92 0.00 0.00 175.35 176.41 3dlb s THR 7 N -1.63 0.45 0.55 2.17 2.01 -0.83 -4.96 115.64 113.39 3dlb s THR 7 Ca 0.42 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 62.21 3dlb s THR 7 Cb -0.13 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3dlb s THR 7 CO 0.20 0.21 1.38 -1.84 -0.69 0.00 0.00 174.62 173.88 3dlb n GLU 8 N 5.12 1.73 -3.71 4.92 0.00 -1.26 -0.85 120.64 126.59 3dlb n GLU 8 Ca -0.08 0.64 -0.14 0.00 0.00 0.00 0.00 57.16 57.58 3dlb n GLU 8 Cb 0.50 -2.60 -0.09 0.00 0.00 0.00 0.00 31.44 29.25 3dlb n GLU 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3dlb s VAL 9 N -1.28 0.02 -0.22 3.84 0.11 0.13 -4.18 120.40 118.82 3dlb s VAL 9 Ca 0.71 -0.19 -0.10 0.00 -2.93 0.00 0.00 61.98 59.48 3dlb s VAL 9 Cb -0.41 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.72 3dlb s VAL 9 CO 0.49 -0.10 0.13 -0.36 -3.33 0.00 0.00 175.10 171.93 3dlb s PHE 10 N -0.59 3.31 0.53 1.54 0.08 0.12 0.11 117.98 123.08 3dlb s PHE 10 Ca -0.07 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.15 3dlb s PHE 10 Cb -0.03 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 3dlb s PHE 10 CO 0.03 0.10 0.78 -0.51 -0.10 0.00 0.00 175.22 175.53 3dlb s LEU 11 N 0.83 3.38 -0.60 -0.37 1.43 -0.54 0.68 118.68 123.50 3dlb s LEU 11 Ca 0.07 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3dlb s LEU 11 Cb -0.13 -3.17 0.29 0.00 0.03 0.00 0.00 46.19 43.20 3dlb s LEU 11 CO 0.02 -0.98 2.20 -0.46 0.23 0.00 0.00 176.35 177.37 3dlb n ASN 12 N -2.34 7.13 -4.58 2.29 6.94 -1.19 -4.48 115.26 119.03 3dlb n ASN 12 Ca 0.04 -3.52 -0.24 0.00 -0.02 0.00 0.00 54.58 50.84 3dlb n ASN 12 Cb 0.58 -1.08 -0.09 0.00 -2.36 0.00 0.00 39.78 36.84 3dlb n ASN 12 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3dlb s ARG 13 N -3.00 2.01 -0.09 -3.83 0.52 -1.26 -2.67 118.95 110.63 3dlb s ARG 13 Ca 0.53 -1.64 -0.08 0.00 -0.52 0.00 0.00 55.73 54.02 3dlb s ARG 13 Cb 0.41 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.95 3dlb s ARG 13 CO -0.17 0.28 0.24 -0.06 0.02 0.00 0.00 175.30 175.62 3dlb s PHE 14 N -2.45 -0.28 0.02 -0.53 0.40 -0.47 -0.89 117.98 113.78 3dlb s PHE 14 Ca 0.32 0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 57.15 3dlb s PHE 14 Cb -0.04 0.09 -0.06 0.00 0.51 0.00 0.00 43.02 43.52 3dlb s PHE 14 CO 0.18 -0.15 0.50 0.00 0.70 0.00 0.00 175.22 176.45 3dlb s ALA 15 N 0.33 3.61 0.46 5.36 0.00 -0.62 -0.86 121.76 130.05 3dlb s ALA 15 Ca -0.02 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.89 3dlb s ALA 15 Cb -0.03 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3dlb s ALA 15 CO -0.01 0.37 0.01 -0.51 0.00 0.00 0.00 175.76 175.62 3dlb s LEU 16 N -0.83 2.57 0.77 0.00 1.43 0.02 -2.94 118.68 119.71 3dlb s LEU 16 Ca 0.27 -1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 51.69 3dlb s LEU 16 Cb -0.18 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.16 3dlb s LEU 16 CO 0.16 -0.67 0.22 -2.11 0.23 0.00 0.00 176.35 174.18 3dlb n ARG 17 N -1.14 0.12 -1.48 1.70 1.85 -0.59 -4.01 116.66 113.12 3dlb n ARG 17 Ca -0.13 0.07 -0.30 0.00 -1.00 0.00 0.00 57.85 56.49 3dlb n ARG 17 Cb 0.67 -1.60 0.08 0.00 -1.05 0.00 0.00 32.46 30.56 3dlb n ARG 17 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3dlb s PRO 18 N -2.56 2.36 0.10 2.89 0.02 -1.26 -2.65 135.00 133.91 3dlb s PRO 18 Ca 0.59 0.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 3dlb s PRO 18 Cb -0.32 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 3dlb s PRO 18 CO 0.64 -1.48 1.12 -0.51 -0.33 0.00 0.00 177.00 176.44 3dlb s LEU 19 N -5.75 4.42 0.77 -5.54 1.02 -0.64 -4.83 118.68 108.12 3dlb s LEU 19 Ca 0.60 1.99 -0.11 0.00 0.02 0.00 0.00 54.13 56.63 3dlb s LEU 19 Cb -0.15 -3.59 0.05 0.00 0.02 0.00 0.00 46.19 42.52 3dlb s LEU 19 CO 0.55 -0.33 1.08 0.54 0.02 0.00 0.00 176.35 178.22 3dlb s ASN 20 N 0.53 4.73 0.26 2.29 2.20 -1.26 -4.86 114.94 118.83 3dlb s ASN 20 Ca 0.54 1.44 -0.06 0.00 -0.94 0.00 0.00 52.86 53.84 3dlb s ASN 20 Cb -0.28 -2.22 0.49 0.00 -2.00 0.00 0.00 41.25 37.24 3dlb s ASN 20 CO 0.31 -1.84 1.62 1.55 -2.94 0.00 0.00 177.10 175.81 3dlb h PRO 21 N -0.99 0.09 -0.89 3.55 0.13 -1.99 -1.94 132.00 129.96 3dlb h PRO 21 Ca -0.46 -0.01 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 3dlb h PRO 21 Cb 1.25 -0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 3dlb h PRO 21 CO 0.58 0.06 0.48 0.93 -0.23 0.00 0.00 178.00 179.81 3dlb h GLU 22 N 0.09 0.63 0.00 0.86 3.07 -1.92 0.54 114.58 117.86 3dlb h GLU 22 Ca 0.44 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3dlb h GLU 22 Cb 0.80 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3dlb h GLU 22 CO -0.71 0.42 0.00 0.39 -1.40 0.00 0.00 179.01 177.71 3dlb n GLU 23 N -4.85 0.26 0.01 2.33 1.02 -0.74 -2.29 120.64 116.38 3dlb n GLU 23 Ca 0.19 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 3dlb n GLU 23 Cb 0.47 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3dlb n GLU 23 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dlb n LEU 24 N -1.37 0.66 -3.38 -4.62 4.77 0.12 -4.38 117.00 108.80 3dlb n LEU 24 Ca 0.11 -0.12 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 3dlb n LEU 24 Cb 0.28 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3dlb n LEU 24 CO 0.24 0.10 0.03 0.54 -1.33 0.00 0.00 177.39 176.97 3dlb n ARG 25 N -1.77 2.29 -1.13 3.23 3.00 -0.85 -2.15 116.66 119.28 3dlb n ARG 25 Ca 0.03 -4.47 -0.31 0.00 -0.01 0.00 0.00 57.85 53.09 3dlb n ARG 25 Cb 0.40 -2.11 0.11 0.00 0.00 0.00 0.00 32.46 30.86 3dlb n ARG 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3dlb s PRO 26 N -2.32 1.91 0.27 5.56 0.04 -1.24 -4.40 135.00 134.82 3dlb s PRO 26 Ca 0.39 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 3dlb s PRO 26 Cb 0.16 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.76 3dlb s PRO 26 CO -0.03 -1.93 1.03 -1.58 0.04 0.00 0.00 177.00 174.54 3dlb s TRP 27 N -2.76 3.73 0.06 0.56 0.52 -0.31 -0.75 118.94 119.99 3dlb s TRP 27 Ca 0.64 1.78 0.05 0.00 0.02 0.00 0.00 56.10 58.59 3dlb s TRP 27 Cb -0.19 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 28.93 3dlb s TRP 27 CO 0.55 -0.16 -0.06 0.50 0.02 0.00 0.00 176.95 177.81 3dlb s ARG 28 N -1.39 2.42 -0.04 4.98 3.52 0.28 -0.80 118.95 127.93 3dlb s ARG 28 Ca 0.44 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 55.18 3dlb s ARG 28 Cb -0.29 -2.45 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 3dlb s ARG 28 CO 0.37 0.56 0.09 -0.51 -0.81 0.00 0.00 175.30 174.99 3dlb s LEU 29 N -1.89 1.10 0.15 -0.88 1.02 -0.74 -1.66 118.68 115.77 3dlb s LEU 29 Ca 0.21 0.17 -0.18 0.00 0.02 0.00 0.00 54.13 54.34 3dlb s LEU 29 Cb -0.11 0.18 -0.07 0.00 0.02 0.00 0.00 46.19 46.20 3dlb s LEU 29 CO 0.12 -0.11 0.63 -0.70 0.02 0.00 0.00 176.35 176.31 3dlb s GLU 30 N 0.85 4.18 0.28 1.70 2.12 -0.74 -0.55 118.70 126.53 3dlb s GLU 30 Ca -0.07 0.74 0.11 0.00 0.36 0.00 0.00 54.97 56.11 3dlb s GLU 30 Cb -0.09 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 3dlb s GLU 30 CO -0.03 0.52 -0.15 0.08 -0.54 0.00 0.00 175.26 175.13 3dlb s VAL 31 N -1.34 2.66 -0.12 3.70 1.01 -1.26 0.72 120.40 125.78 3dlb s VAL 31 Ca 0.36 -2.28 -0.10 0.00 0.00 0.00 0.00 61.98 59.95 3dlb s VAL 31 Cb -0.18 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.79 3dlb s VAL 31 CO 0.20 -0.38 0.31 0.68 0.00 0.00 0.00 175.10 175.92 3dlb s VAL 32 N -2.48 -0.00 -0.02 2.92 -7.23 -0.86 -4.97 120.40 107.75 3dlb s VAL 32 Ca 0.31 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.55 3dlb s VAL 32 Cb -0.05 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 3dlb s VAL 32 CO 0.16 0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.99 3dlb s LEU 33 N 0.28 2.35 -0.04 1.32 1.43 -1.26 -1.79 118.68 120.97 3dlb s LEU 33 Ca -0.01 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3dlb s LEU 33 Cb -0.03 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.79 3dlb s LEU 33 CO -0.01 0.32 0.03 -0.62 0.23 0.00 0.00 176.35 176.31 3dlb s ASP 34 N -0.76 0.87 0.65 2.29 3.68 -0.30 -3.87 116.67 119.23 3dlb s ASP 34 Ca 0.11 0.03 -0.11 0.00 2.13 0.00 0.00 52.55 54.71 3dlb s ASP 34 Cb -0.10 -0.19 -0.02 0.00 -1.45 0.00 0.00 42.92 41.16 3dlb s ASP 34 CO 0.00 -0.19 1.05 -2.84 0.13 0.00 0.00 175.17 173.32 3dlb s PRO 35 N 1.71 3.36 0.16 4.34 0.02 -1.26 -0.96 135.00 142.37 3dlb s PRO 35 Ca -0.01 0.65 -0.33 0.00 0.02 0.00 0.00 61.00 61.34 3dlb s PRO 35 Cb -0.13 -2.07 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 3dlb s PRO 35 CO -0.03 -0.71 1.71 -2.30 -0.33 0.00 0.00 177.00 175.33 3dlb n PRO 36 N -2.82 2.53 -2.19 5.54 -0.02 -1.25 -4.93 135.00 131.86 3dlb n PRO 36 Ca 0.06 0.92 -0.18 0.00 -2.02 0.00 0.00 63.50 62.28 3dlb n PRO 36 Cb 0.55 -2.75 0.09 0.00 -0.02 0.00 0.00 33.50 31.38 3dlb n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dlb n PRO 37 N 4.25 0.06 -2.03 0.52 -0.04 -1.26 -5.03 135.00 131.48 3dlb n PRO 37 Ca 0.17 -2.18 -0.39 0.00 -0.04 0.00 0.00 63.50 61.06 3dlb n PRO 37 Cb 0.33 -0.52 -0.00 0.00 -0.04 0.00 0.00 33.50 33.27 3dlb n PRO 37 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dlb s GLY 38 N -4.53 2.92 0.59 0.55 0.00 -1.26 -4.86 107.32 100.73 3dlb s GLY 38 Ca 0.53 1.26 0.29 0.00 0.00 0.00 0.00 44.72 46.79 3dlb s GLY 38 CO 0.35 1.84 1.94 -0.09 0.00 0.00 0.00 173.10 177.14 3dlb h ARG 39 N 2.63 0.00 -0.02 2.90 2.43 -2.03 0.26 114.38 120.55 3dlb h ARG 39 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3dlb h ARG 39 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3dlb h ARG 39 CO 0.62 0.00 0.00 -0.85 -1.51 0.00 0.00 179.97 178.23 3dlb n GLU 40 N -3.67 1.14 0.00 0.20 -0.00 -1.26 -3.22 120.64 113.83 3dlb n GLU 40 Ca 0.06 -0.20 0.05 0.00 -0.00 0.00 0.00 57.16 57.07 3dlb n GLU 40 Cb 0.58 -1.37 -0.03 0.00 -0.00 0.00 0.00 31.44 30.61 3dlb n GLU 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3dlb n GLU 41 N -0.64 3.15 -0.13 3.44 1.02 0.91 -4.70 120.64 123.69 3dlb n GLU 41 Ca 0.17 -0.24 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 3dlb n GLU 41 Cb 0.13 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3dlb n GLU 41 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dlb h VAL 42 N 0.44 1.12 -0.10 2.62 2.07 -1.57 -1.87 116.25 118.96 3dlb h VAL 42 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3dlb h VAL 42 Cb 0.27 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3dlb h VAL 42 CO 0.00 0.12 -0.09 1.88 0.02 0.00 0.00 177.57 179.50 3dlb h TYR 43 N 0.56 0.28 -0.47 1.57 -1.99 -1.84 -1.61 116.97 113.46 3dlb h TYR 43 Ca 0.15 -0.08 0.02 0.00 2.00 0.00 0.00 58.73 60.82 3dlb h TYR 43 Cb -0.03 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 3dlb h TYR 43 CO -0.04 0.64 0.31 -1.35 -0.00 0.00 0.00 178.16 177.73 3dlb h PRO 44 N -0.17 0.56 -0.17 4.88 0.11 -1.84 -2.21 132.00 133.16 3dlb h PRO 44 Ca 0.02 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 3dlb h PRO 44 Cb 0.59 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3dlb h PRO 44 CO 0.02 0.37 -0.69 -0.07 -0.21 0.00 0.00 178.00 177.42 3dlb h LEU 45 N 0.57 0.83 -1.27 2.35 4.07 -1.28 -3.11 115.31 117.47 3dlb h LEU 45 Ca 0.18 -0.51 -0.07 0.00 0.08 0.00 0.00 57.88 57.56 3dlb h LEU 45 Cb 0.03 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 3dlb h LEU 45 CO -0.04 1.29 -0.34 -0.07 -1.08 0.00 0.00 178.44 178.19 3dlb h LEU 46 N 0.51 0.04 -0.98 1.67 3.38 -0.77 0.96 115.31 120.12 3dlb h LEU 46 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3dlb h LEU 46 Cb 1.30 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 3dlb h LEU 46 CO 0.14 0.38 0.29 0.00 0.09 0.00 0.00 178.44 179.34 3dlb h ALA 47 N 1.63 1.19 -0.12 1.53 0.00 -1.42 0.94 119.26 123.00 3dlb h ALA 47 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3dlb h ALA 47 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3dlb h ALA 47 CO 0.05 0.59 -0.59 0.37 0.00 0.00 0.00 179.25 179.67 3dlb h GLN 48 N 1.01 0.39 -0.32 0.00 4.15 -0.95 -2.94 115.11 116.46 3dlb h GLN 48 Ca 0.24 -0.26 -0.17 0.00 0.77 0.00 0.00 58.65 59.23 3dlb h GLN 48 Cb 0.17 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 3dlb h GLN 48 CO -0.02 0.87 -0.46 0.28 -1.93 0.00 0.00 178.83 177.56 3dlb h VAL 49 N 0.29 1.28 -0.77 2.39 2.07 -0.26 -0.90 116.25 120.35 3dlb h VAL 49 Ca -0.00 -1.65 0.13 0.00 0.82 0.00 0.00 66.70 66.00 3dlb h VAL 49 Cb 1.11 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.31 3dlb h VAL 49 CO 0.10 0.54 0.36 0.00 0.02 0.00 0.00 177.57 178.59 3dlb h ALA 50 N 0.78 1.11 -0.05 1.67 0.00 -0.75 0.12 119.26 122.15 3dlb h ALA 50 Ca 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dlb h ALA 50 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dlb h ALA 50 CO 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 179.25 179.13 3dlb h ARG 51 N 0.54 0.15 -0.63 0.00 3.08 -1.32 -3.03 114.38 113.17 3dlb h ARG 51 Ca 0.41 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.43 3dlb h ARG 51 Cb 0.57 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3dlb h ARG 51 CO -0.35 0.69 0.42 0.00 -1.07 0.00 0.00 179.97 179.66 3dlb h ARG 52 N -0.37 0.57 0.00 0.04 2.47 -0.65 0.10 114.38 116.54 3dlb h ARG 52 Ca 0.00 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3dlb h ARG 52 Cb 0.69 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3dlb h ARG 52 CO 0.02 0.37 0.00 0.00 0.56 0.00 0.00 179.97 180.93 3dlb h ALA 53 N 1.66 1.00 -2.11 0.04 0.00 -0.76 -3.43 119.26 115.67 3dlb h ALA 53 Ca 0.28 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.43 3dlb h ALA 53 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3dlb h ALA 53 CO -0.09 0.00 -0.31 0.41 0.00 0.00 0.00 179.25 179.26 3dlb n GLY 54 N 0.26 -1.93 7.00 0.00 0.00 0.35 -1.36 105.19 109.51 3dlb n GLY 54 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3dlb n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 55 N -2.83 -1.67 3.34 -0.02 0.00 -1.26 -4.27 105.19 98.48 3dlb n GLY 55 Ca 0.01 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.25 3dlb n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dlb s VAL 56 N 0.00 5.91 -0.02 1.61 1.01 -1.26 -4.98 120.40 122.67 3dlb s VAL 56 Ca 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 61.98 58.80 3dlb s VAL 56 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3dlb s VAL 56 CO 0.00 -1.16 -0.10 0.42 0.00 0.00 0.00 175.10 174.26 3dlb s THR 57 N -0.92 0.81 0.30 3.92 -4.23 -1.26 -0.13 115.64 114.14 3dlb s THR 57 Ca 0.28 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 3dlb s THR 57 Cb -0.10 -0.71 -0.06 0.00 1.34 0.00 0.00 72.50 72.97 3dlb s THR 57 CO -0.08 0.25 0.06 -0.69 -0.54 0.00 0.00 174.62 173.62 3dlb s VAL 58 N 0.11 1.02 0.05 2.29 1.01 0.15 -4.66 120.40 120.37 3dlb s VAL 58 Ca -0.02 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 3dlb s VAL 58 Cb -0.08 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3dlb s VAL 58 CO 0.00 -0.03 0.96 -0.60 0.00 0.00 0.00 175.10 175.43 3dlb s ARG 59 N -3.92 4.61 -0.28 2.72 3.52 -1.26 -0.32 118.95 124.01 3dlb s ARG 59 Ca 0.36 1.40 -0.02 0.00 -0.13 0.00 0.00 55.73 57.35 3dlb s ARG 59 Cb 0.08 -3.42 0.09 0.00 -1.56 0.00 0.00 34.95 30.14 3dlb s ARG 59 CO 0.14 0.08 0.09 1.41 -0.81 0.00 0.00 175.30 176.21 3dlb s MET 60 N 0.54 0.65 6.97 5.12 -2.45 0.27 -4.82 119.30 125.58 3dlb s MET 60 Ca 0.49 -0.88 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 3dlb s MET 60 Cb -0.22 -1.91 0.00 0.00 1.25 0.00 0.00 34.83 33.95 3dlb s MET 60 CO 0.28 -0.92 0.00 0.41 1.05 0.00 0.00 175.02 175.84 3dlb n GLY 61 N 4.94 2.43 0.83 2.11 0.00 -1.26 -1.20 105.19 113.04 3dlb n GLY 61 Ca -0.04 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3dlb n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dlb n ASP 62 N 10.09 3.39 -0.24 1.61 9.92 -1.26 -4.99 116.55 135.06 3dlb n ASP 62 Ca 0.00 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 3dlb n ASP 62 Cb 0.00 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 3dlb n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dlb n GLY 63 N 0.42 5.21 3.79 0.44 0.00 -0.34 -4.37 105.19 110.35 3dlb n GLY 63 Ca 0.16 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 3dlb n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlb s LEU 64 N 0.00 3.29 -0.07 0.99 1.43 0.28 0.95 118.68 125.56 3dlb s LEU 64 Ca 0.00 -0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 3dlb s LEU 64 Cb 0.00 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3dlb s LEU 64 CO 0.00 -0.49 0.16 0.00 0.23 0.00 0.00 176.35 176.25 3dlb s ALA 65 N -2.48 -0.35 0.02 4.21 0.00 0.56 -1.80 121.76 121.92 3dlb s ALA 65 Ca 0.42 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.98 3dlb s ALA 65 Cb -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3dlb s ALA 65 CO 0.25 -0.12 -0.03 0.45 0.00 0.00 0.00 175.76 176.30 3dlb s SER 66 N 0.66 0.30 -0.00 0.00 0.15 0.02 0.33 113.70 115.16 3dlb s SER 66 Ca -0.05 -0.53 0.13 0.00 0.70 0.00 0.00 55.95 56.19 3dlb s SER 66 Cb -0.06 0.10 -0.15 0.00 -1.71 0.00 0.00 66.02 64.19 3dlb s SER 66 CO -0.03 -0.31 0.47 0.79 1.20 0.00 0.00 173.24 175.35 3dlb n TRP 67 N 1.50 0.00 -3.39 3.44 8.01 0.82 -1.16 117.44 126.66 3dlb n TRP 67 Ca -0.23 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.66 3dlb n TRP 67 Cb 0.55 -0.07 -0.04 0.00 -2.01 0.00 0.00 31.31 29.74 3dlb n TRP 67 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3dlb s SER 68 N -2.51 6.51 -0.02 -0.99 1.04 -1.24 -4.95 113.70 111.54 3dlb s SER 68 Ca 0.02 0.78 -0.37 0.00 0.48 0.00 0.00 55.95 56.86 3dlb s SER 68 Cb 0.09 -2.17 -0.15 0.00 0.10 0.00 0.00 66.02 63.89 3dlb s SER 68 CO 0.52 -0.13 1.54 -0.81 0.98 0.00 0.00 173.24 175.34 3dlb n PRO 69 N -0.58 1.43 0.21 4.02 -0.04 -1.26 -4.82 135.00 133.96 3dlb n PRO 69 Ca -0.01 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.12 3dlb n PRO 69 Cb 0.53 -2.22 0.61 0.00 -0.04 0.00 0.00 33.50 32.38 3dlb n PRO 69 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3dlb h PRO 70 N 5.99 0.00 0.00 0.54 0.11 -1.96 0.25 132.00 136.93 3dlb h PRO 70 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3dlb h PRO 70 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3dlb h PRO 70 CO 0.86 0.00 -0.44 1.49 -0.21 0.00 0.00 178.00 179.70 3dlb h GLU 71 N 0.00 0.00 0.00 1.05 4.57 -2.04 -3.15 114.58 115.00 3dlb h GLU 71 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3dlb h GLU 71 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 3dlb h GLU 71 CO -0.00 0.44 0.00 0.28 -1.18 0.00 0.00 179.01 178.55 3dlb h VAL 72 N 0.00 0.00 -4.31 0.32 2.07 -0.83 -3.47 116.25 110.03 3dlb h VAL 72 Ca -0.00 -0.72 -0.51 0.00 0.82 0.00 0.00 66.70 66.28 3dlb h VAL 72 Cb 1.04 1.70 0.13 0.00 -1.52 0.00 0.00 31.29 32.64 3dlb h VAL 72 CO 0.06 0.00 0.32 -0.76 0.02 0.00 0.00 177.57 177.21 3dlb s LEU 73 N -5.86 3.04 -0.85 2.57 1.43 -1.19 -4.83 118.68 112.99 3dlb s LEU 73 Ca 0.05 1.83 -0.09 0.00 -1.03 0.00 0.00 54.13 54.89 3dlb s LEU 73 Cb 0.07 -4.52 0.22 0.00 0.03 0.00 0.00 46.19 41.99 3dlb s LEU 73 CO 0.60 -2.04 0.76 -0.69 0.23 0.00 0.00 176.35 175.21 3dlb s VAL 74 N -2.88 5.14 0.62 -1.59 1.01 -0.47 -4.93 120.40 117.31 3dlb s VAL 74 Ca 0.61 -2.91 0.34 0.00 0.00 0.00 0.00 61.98 60.02 3dlb s VAL 74 Cb -0.17 -4.18 0.38 0.00 0.00 0.00 0.00 36.38 32.41 3dlb s VAL 74 CO 0.56 -1.03 2.24 -0.07 0.00 0.00 0.00 175.10 176.80 3dlb h LEU 75 N 7.21 0.00 -7.97 3.92 3.38 -1.94 -3.39 115.31 116.53 3dlb h LEU 75 Ca 0.10 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.67 3dlb h LEU 75 Cb 0.97 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.42 3dlb h LEU 75 CO 0.80 0.00 -0.78 -1.61 0.09 0.00 0.00 178.44 176.94 3dlb s GLU 76 N -4.45 0.78 0.01 1.13 2.02 -1.26 -0.57 118.70 116.36 3dlb s GLU 76 Ca -0.05 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 3dlb s GLU 76 Cb 0.14 -0.75 0.04 0.00 0.10 0.00 0.00 34.13 33.66 3dlb s GLU 76 CO 0.49 0.13 0.57 0.41 0.02 0.00 0.00 175.26 176.87 3dlb n GLY 77 N 3.15 0.58 3.71 -1.39 0.00 -1.14 -5.04 105.19 105.05 3dlb n GLY 77 Ca -0.16 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 3dlb n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dlb s THR 78 N -2.15 2.21 0.16 2.61 -4.23 -1.26 -1.24 115.64 111.74 3dlb s THR 78 Ca 0.13 -1.78 -0.06 0.00 -1.18 0.00 0.00 61.69 58.81 3dlb s THR 78 Cb -0.01 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 3dlb s THR 78 CO 0.00 0.00 0.21 -0.76 -0.54 0.00 0.00 174.62 173.53 3dlb s LEU 79 N -3.85 1.19 -0.14 4.79 1.02 0.14 -4.90 118.68 116.93 3dlb s LEU 79 Ca 0.39 -1.04 -0.06 0.00 0.02 0.00 0.00 54.13 53.44 3dlb s LEU 79 Cb 0.06 0.85 0.06 0.00 0.02 0.00 0.00 46.19 47.18 3dlb s LEU 79 CO 0.21 -0.85 0.30 0.00 0.02 0.00 0.00 176.35 176.03 3dlb s ALA 80 N -4.02 -0.70 -0.24 4.21 0.00 -1.26 -1.48 121.76 118.27 3dlb s ALA 80 Ca 0.22 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 3dlb s ALA 80 Cb 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 23.12 22.29 3dlb s ALA 80 CO 0.03 -0.50 0.05 0.50 0.00 0.00 0.00 175.76 175.84 3dlb s ARG 81 N 2.02 0.74 -0.51 0.00 3.52 0.27 -4.89 118.95 120.10 3dlb s ARG 81 Ca -0.03 -0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 54.67 3dlb s ARG 81 Cb -0.11 -2.06 0.03 0.00 -1.56 0.00 0.00 34.95 31.24 3dlb s ARG 81 CO -0.10 -0.78 0.63 -0.12 -0.81 0.00 0.00 175.30 174.13 3dlb n MET 82 N 4.96 -2.04 0.00 5.12 1.56 -1.26 -3.00 117.12 122.45 3dlb n MET 82 Ca -0.07 1.73 0.00 0.00 -0.27 0.00 0.00 57.70 59.09 3dlb n MET 82 Cb 0.45 -4.37 0.00 0.00 2.15 0.00 0.00 33.22 31.44 3dlb n MET 82 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3dlb n GLY 83 N -0.58 0.85 3.77 -5.12 0.00 -1.26 -4.91 105.19 97.93 3dlb n GLY 83 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3dlb n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dlb s GLN 84 N 0.00 3.91 0.08 1.61 -0.21 -1.16 -5.02 119.66 118.88 3dlb s GLN 84 Ca 0.00 1.98 0.06 0.00 0.02 0.00 0.00 55.36 57.42 3dlb s GLN 84 Cb 0.00 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.34 3dlb s GLN 84 CO 0.00 -0.48 -0.16 -0.08 -2.12 0.00 0.00 175.29 172.45 3dlb s THR 85 N -1.36 1.29 0.25 -0.19 -1.32 -1.26 0.95 115.64 114.00 3dlb s THR 85 Ca 0.59 -1.41 -0.04 0.00 -1.21 0.00 0.00 61.69 59.62 3dlb s THR 85 Cb -0.34 -1.24 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 3dlb s THR 85 CO 0.43 -0.21 0.31 -0.31 -2.21 0.00 0.00 174.62 172.63 3dlb s TYR 86 N -1.35 0.97 -0.02 9.09 1.51 -0.55 -4.75 117.35 122.25 3dlb s TYR 86 Ca 0.01 -1.20 0.07 0.00 -1.01 0.00 0.00 57.07 54.94 3dlb s TYR 86 Cb -0.09 -0.27 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 3dlb s TYR 86 CO 0.03 -0.86 -0.23 0.00 -1.11 0.00 0.00 175.55 173.38 3dlb s ALA 87 N -3.84 1.91 0.18 3.71 0.00 -0.14 0.24 121.76 123.83 3dlb s ALA 87 Ca 0.33 -0.99 0.10 0.00 0.00 0.00 0.00 51.96 51.40 3dlb s ALA 87 Cb 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3dlb s ALA 87 CO 0.14 0.47 -0.22 1.52 0.00 0.00 0.00 175.76 177.68 3dlb s TYR 88 N -0.54 2.11 -0.02 0.00 1.13 -0.37 -1.15 117.35 118.51 3dlb s TYR 88 Ca 0.09 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 3dlb s TYR 88 Cb -0.09 -1.05 0.03 0.00 -1.10 0.00 0.00 41.96 39.75 3dlb s TYR 88 CO -0.01 0.44 0.01 0.50 -2.51 0.00 0.00 175.55 173.99 3dlb s ARG 89 N -2.73 0.12 0.08 -3.49 3.52 -0.74 -2.89 118.95 112.83 3dlb s ARG 89 Ca 0.19 0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.86 3dlb s ARG 89 Cb -0.07 -0.33 -0.05 0.00 -1.56 0.00 0.00 34.95 32.94 3dlb s ARG 89 CO 0.09 -0.13 0.30 -0.51 -0.81 0.00 0.00 175.30 174.24 3dlb s LEU 90 N 0.92 4.32 -0.38 -0.88 1.43 0.26 -2.02 118.68 122.33 3dlb s LEU 90 Ca -0.08 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 3dlb s LEU 90 Cb -0.12 -3.04 0.12 0.00 0.03 0.00 0.00 46.19 43.18 3dlb s LEU 90 CO -0.02 0.14 0.16 -0.31 0.23 0.00 0.00 176.35 176.55 3dlb s TYR 91 N -1.52 2.34 -0.17 0.29 1.51 0.22 -4.97 117.35 115.06 3dlb s TYR 91 Ca 0.36 -2.37 -0.37 0.00 -1.01 0.00 0.00 57.07 53.67 3dlb s TYR 91 Cb -0.13 -2.11 -0.14 0.00 -0.11 0.00 0.00 41.96 39.47 3dlb s TYR 91 CO 0.23 -0.84 1.77 -2.30 -1.11 0.00 0.00 175.55 173.30 3dlb n PRO 92 N 4.08 1.59 -1.53 -1.71 -0.02 -1.26 -1.80 135.00 134.34 3dlb n PRO 92 Ca 0.04 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 3dlb n PRO 92 Cb 0.38 -2.33 0.09 0.00 -0.02 0.00 0.00 33.50 31.63 3dlb n PRO 92 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3dlb n LYS 93 N 5.60 2.49 -0.20 -0.52 5.02 -0.67 -4.93 118.16 124.96 3dlb n LYS 93 Ca 0.24 -3.66 0.03 0.00 -2.02 0.00 0.00 58.31 52.89 3dlb n LYS 93 Cb 0.20 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.37 3dlb n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlb n GLY 94 N -0.78 -1.79 3.83 0.72 0.00 -1.24 -4.69 105.19 101.23 3dlb n GLY 94 Ca 0.29 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 3dlb n GLY 94 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlb s ARG 95 N -0.51 4.01 -0.05 1.61 3.52 -1.26 0.10 118.95 126.37 3dlb s ARG 95 Ca 0.00 0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 56.09 3dlb s ARG 95 Cb 0.00 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 30.20 3dlb s ARG 95 CO 0.00 0.67 0.08 0.50 -0.81 0.00 0.00 175.30 175.74 3dlb s ARG 96 N -1.07 -0.04 0.39 5.12 3.52 0.07 -4.88 118.95 122.07 3dlb s ARG 96 Ca 0.25 0.37 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 3dlb s ARG 96 Cb -0.18 -0.38 -0.09 0.00 -1.56 0.00 0.00 34.95 32.75 3dlb s ARG 96 CO 0.15 -0.27 1.24 -1.25 -0.81 0.00 0.00 175.30 174.36 3dlb s PRO 97 N 1.86 4.06 0.05 5.12 0.04 -1.26 -3.61 135.00 141.24 3dlb s PRO 97 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 3dlb s PRO 97 Cb -0.12 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 3dlb s PRO 97 CO -0.04 -0.37 -0.18 -0.51 0.04 0.00 0.00 177.00 175.95 3dlb s LEU 98 N -2.36 2.18 -0.21 -3.56 1.02 -0.91 -5.02 118.68 109.82 3dlb s LEU 98 Ca 0.56 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 3dlb s LEU 98 Cb -0.35 -0.79 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 3dlb s LEU 98 CO 0.45 0.09 -0.06 1.51 0.02 0.00 0.00 176.35 178.36 3dlb s ASP 99 N -1.22 4.27 0.60 2.29 3.84 -1.26 -4.91 116.67 120.28 3dlb s ASP 99 Ca 0.04 -0.37 0.33 0.00 -0.00 0.00 0.00 52.55 52.55 3dlb s ASP 99 Cb -0.08 -1.72 1.77 0.00 -1.38 0.00 0.00 42.92 41.51 3dlb s ASP 99 CO 0.02 0.01 1.99 -0.65 -0.00 0.00 0.00 175.17 176.54 3dlb h PRO 100 N 7.86 0.00 0.00 2.11 0.11 -1.85 -0.66 132.00 139.57 3dlb h PRO 100 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 3dlb h PRO 100 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3dlb h PRO 100 CO 0.60 0.00 -0.38 0.87 -0.21 0.00 0.00 178.00 178.88 3dlb h LYS 101 N 0.00 0.00 -5.50 1.05 6.56 -1.87 -3.36 116.57 113.45 3dlb h LYS 101 Ca 0.00 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.96 3dlb h LYS 101 Cb 0.38 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 31.91 3dlb h LYS 101 CO 0.00 0.38 0.15 0.34 -2.06 0.00 0.00 179.45 178.26 3dlb s ASP 102 N -6.37 6.45 0.39 0.86 -1.08 -0.25 -4.97 116.67 111.69 3dlb s ASP 102 Ca 0.03 0.21 0.22 0.00 -0.52 0.00 0.00 52.55 52.49 3dlb s ASP 102 Cb 0.09 -2.33 1.29 0.00 -1.46 0.00 0.00 42.92 40.51 3dlb s ASP 102 CO 0.70 -0.57 1.62 -0.65 0.52 0.00 0.00 175.17 176.79 3dlb h PRO 103 N 8.40 0.13 0.01 4.34 0.11 -1.85 -0.15 132.00 143.00 3dlb h PRO 103 Ca -0.26 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3dlb h PRO 103 Cb 1.11 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3dlb h PRO 103 CO 0.83 0.09 -0.07 0.78 -0.21 0.00 0.00 178.00 179.41 3dlb h GLY 104 N 0.14 0.04 1.69 -0.55 0.00 -1.93 -3.04 103.07 99.42 3dlb h GLY 104 Ca 0.80 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.98 3dlb h GLY 104 CO -0.59 0.07 -0.14 0.83 0.00 0.00 0.00 176.54 176.71 3dlb h GLU 105 N -0.89 0.37 -0.28 4.80 5.08 -1.68 -2.31 114.58 119.68 3dlb h GLU 105 Ca -0.01 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 3dlb h GLU 105 Cb 1.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3dlb h GLU 105 CO 0.01 0.52 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.17 3dlb h ARG 106 N 0.35 0.57 0.00 2.33 2.43 -1.16 -2.04 114.38 116.86 3dlb h ARG 106 Ca 0.07 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3dlb h ARG 106 Cb 0.47 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3dlb h ARG 106 CO 0.03 0.80 -0.17 0.66 -1.51 0.00 0.00 179.97 179.78 3dlb h SER 107 N 0.50 0.00 0.03 -3.80 4.64 -1.29 -1.84 113.55 111.79 3dlb h SER 107 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.31 3dlb h SER 107 Cb 0.75 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3dlb h SER 107 CO 0.06 0.17 -0.33 0.58 -0.87 0.00 0.00 176.83 176.44 3dlb h VAL 108 N 0.00 1.59 -0.81 0.95 2.07 -1.31 -2.80 116.25 115.95 3dlb h VAL 108 Ca -0.00 -2.17 0.09 0.00 0.82 0.00 0.00 66.70 65.43 3dlb h VAL 108 Cb 0.32 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.04 3dlb h VAL 108 CO 0.02 0.59 0.53 -0.07 0.02 0.00 0.00 177.57 178.66 3dlb h LEU 109 N -0.57 0.70 -1.07 2.57 3.38 -1.10 0.14 115.31 119.37 3dlb h LEU 109 Ca -0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3dlb h LEU 109 Cb 1.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3dlb h LEU 109 CO 0.06 0.43 -0.38 0.28 0.09 0.00 0.00 178.44 178.92 3dlb h SER 110 N 0.79 0.00 -0.12 -0.43 0.02 -1.39 -1.77 113.55 110.66 3dlb h SER 110 Ca 0.37 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.14 3dlb h SER 110 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dlb h SER 110 CO -0.14 0.38 -0.57 0.00 -1.14 0.00 0.00 176.83 175.36 3dlb h ALA 111 N 1.62 0.57 -0.49 3.77 0.00 -0.72 0.30 119.26 124.32 3dlb h ALA 111 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3dlb h ALA 111 Cb 0.83 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3dlb h ALA 111 CO 0.05 0.69 0.17 -0.07 0.00 0.00 0.00 179.25 180.09 3dlb h LEU 112 N 0.54 0.70 -0.34 0.00 3.38 -0.87 -1.05 115.31 117.66 3dlb h LEU 112 Ca 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3dlb h LEU 112 Cb 1.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3dlb h LEU 112 CO 0.12 0.71 0.21 0.00 0.09 0.00 0.00 178.44 179.57 3dlb h ALA 113 N 1.02 0.44 -0.50 1.53 0.00 -1.07 0.75 119.26 121.43 3dlb h ALA 113 Ca 0.16 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3dlb h ALA 113 Cb 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3dlb h ALA 113 CO -0.01 -0.07 0.24 -0.09 0.00 0.00 0.00 179.25 179.32 3dlb h ARG 114 N 0.45 0.45 0.00 0.00 2.43 -0.27 -0.28 114.38 117.16 3dlb h ARG 114 Ca 0.12 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3dlb h ARG 114 Cb -0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3dlb h ARG 114 CO -0.02 0.30 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.42 3dlb h ARG 115 N 0.47 0.00 -0.32 0.20 9.65 -0.62 -1.80 114.38 121.96 3dlb h ARG 115 Ca 0.22 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.02 3dlb h ARG 115 Cb 0.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3dlb h ARG 115 CO -0.17 0.23 -0.13 1.25 2.80 0.00 0.00 179.97 183.95 3dlb h LEU 116 N 0.00 0.67 -0.72 3.80 5.85 0.75 -1.43 115.31 124.24 3dlb h LEU 116 Ca -0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3dlb h LEU 116 Cb 0.41 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3dlb h LEU 116 CO 0.03 0.91 0.45 0.25 -0.34 0.00 0.00 178.44 179.74 3dlb h LEU 117 N 0.42 0.85 0.26 2.25 5.85 -0.53 -1.70 115.31 122.71 3dlb h LEU 117 Ca 0.07 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3dlb h LEU 117 Cb 0.65 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3dlb h LEU 117 CO 0.04 0.64 -0.13 1.56 -0.34 0.00 0.00 178.44 180.21 3dlb h GLN 118 N 0.98 -0.35 -0.87 1.25 4.20 -1.12 -0.59 115.11 118.61 3dlb h GLN 118 Ca 0.26 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.05 3dlb h GLN 118 Cb -0.07 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 3dlb h GLN 118 CO -0.05 -0.23 0.54 0.93 -0.67 0.00 0.00 178.83 179.35 3dlb h GLU 119 N -0.36 0.98 -0.47 1.46 4.39 -0.98 0.21 114.58 119.81 3dlb h GLU 119 Ca -0.03 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 3dlb h GLU 119 Cb 0.28 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3dlb h GLU 119 CO 0.05 0.65 -0.25 0.00 -1.16 0.00 0.00 179.01 178.30 3dlb h ARG 120 N 1.01 0.99 -0.56 2.33 3.08 -1.20 -2.92 114.38 117.12 3dlb h ARG 120 Ca 0.37 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3dlb h ARG 120 Cb 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3dlb h ARG 120 CO -0.16 1.12 0.10 -0.07 -1.07 0.00 0.00 179.97 179.89 3dlb h LEU 121 N 0.85 0.84 -1.84 3.04 3.38 -0.35 -2.63 115.31 118.60 3dlb h LEU 121 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dlb h LEU 121 Cb 0.83 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3dlb h LEU 121 CO 0.07 0.85 -0.10 -0.09 0.09 0.00 0.00 178.44 179.27 3dlb h ARG 122 N 0.85 0.00 -0.67 1.13 2.43 -0.42 -2.58 114.38 115.12 3dlb h ARG 122 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3dlb h ARG 122 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3dlb h ARG 122 CO 0.01 0.10 0.00 0.54 -1.51 0.00 0.00 179.97 179.10 3dlb n ARG 123 N -3.41 3.70 -2.82 0.20 1.74 -0.99 -4.96 116.66 110.12 3dlb n ARG 123 Ca -0.01 -2.84 -0.40 0.00 -0.77 0.00 0.00 57.85 53.82 3dlb n ARG 123 Cb 0.26 -1.89 -0.05 0.00 -1.02 0.00 0.00 32.46 29.76 3dlb n ARG 123 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dlb s LEU 124 N -1.80 4.57 0.06 0.55 1.43 -0.98 -5.03 118.68 117.50 3dlb s LEU 124 Ca 0.51 1.79 -0.30 0.00 -1.03 0.00 0.00 54.13 55.10 3dlb s LEU 124 Cb 0.33 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 3dlb s LEU 124 CO 0.25 0.09 1.06 -1.83 0.23 0.00 0.00 176.35 176.15 3dlb s GLU 125 N -0.72 4.55 -0.59 1.70 -1.05 -1.26 -4.40 118.70 116.93 3dlb s GLU 125 Ca 0.41 1.57 -0.23 0.00 -0.15 0.00 0.00 54.97 56.58 3dlb s GLU 125 Cb -0.24 -3.39 0.03 0.00 -0.44 0.00 0.00 34.13 30.10 3dlb s GLU 125 CO 0.29 -0.05 0.64 0.41 0.95 0.00 0.00 175.26 177.51 3dlb n GLY 126 N 2.75 -0.50 3.57 -3.83 0.00 -1.26 -4.98 105.19 100.94 3dlb n GLY 126 Ca 0.06 0.95 -0.06 0.00 0.00 0.00 0.00 46.02 46.97 3dlb n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dlb s VAL 127 N -2.13 0.00 -0.18 1.61 0.11 -1.26 -5.02 120.40 113.52 3dlb s VAL 127 Ca 0.23 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.26 3dlb s VAL 127 Cb -0.03 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 3dlb s VAL 127 CO 0.87 0.00 -0.10 0.86 -3.33 0.00 0.00 175.10 173.40 3dlb s TRP 128 N -2.36 2.88 -0.14 1.54 -0.11 -0.64 -4.97 118.94 115.14 3dlb s TRP 128 Ca 0.06 -0.95 -0.02 0.00 1.22 0.00 0.00 56.10 56.41 3dlb s TRP 128 Cb -0.01 -1.98 -0.02 0.00 -1.50 0.00 0.00 33.47 29.96 3dlb s TRP 128 CO -0.05 -0.47 -0.09 0.08 -4.62 0.00 0.00 176.95 171.79 3dlb s VAL 129 N 1.06 3.38 -0.53 5.86 1.01 -1.26 -0.76 120.40 129.16 3dlb s VAL 129 Ca -0.00 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3dlb s VAL 129 Cb -0.15 -2.45 0.30 0.00 0.00 0.00 0.00 36.38 34.08 3dlb s VAL 129 CO -0.02 0.51 0.77 1.21 0.00 0.00 0.00 175.10 177.58 3dlb n GLU 130 N 3.56 2.19 0.00 2.72 2.13 -1.11 -5.00 120.64 125.14 3dlb n GLU 130 Ca -0.18 -4.27 0.00 0.00 0.66 0.00 0.00 57.16 53.37 3dlb n GLU 130 Cb 0.53 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.26 3dlb n GLU 130 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dlb n GLY 131 N 0.47 1.12 1.05 8.31 0.00 -1.26 -3.71 105.19 111.17 3dlb n GLY 131 Ca 0.28 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.65 3dlb n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dlb n LEU 132 N 0.00 3.46 -4.89 0.99 4.77 -1.26 -4.82 117.00 115.24 3dlb n LEU 132 Ca 0.00 -1.88 -0.28 0.00 -0.03 0.00 0.00 56.01 53.81 3dlb n LEU 132 Cb 0.00 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.70 3dlb n LEU 132 CO 0.00 0.84 -0.15 0.00 -1.33 0.00 0.00 177.39 176.75 3dlb s ALA 133 N -1.07 3.87 -0.03 -1.18 0.00 -1.24 -0.69 121.76 121.43 3dlb s ALA 133 Ca 0.37 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3dlb s ALA 133 Cb 0.20 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3dlb s ALA 133 CO 0.26 0.66 -0.09 0.08 0.00 0.00 0.00 175.76 176.67 3dlb s VAL 134 N -1.62 0.78 -0.25 0.00 1.01 -0.73 -2.75 120.40 116.85 3dlb s VAL 134 Ca 0.33 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3dlb s VAL 134 Cb -0.12 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.63 3dlb s VAL 134 CO 0.27 0.25 -0.04 -0.31 0.00 0.00 0.00 175.10 175.27 3dlb s TYR 135 N 0.23 2.46 -0.16 5.22 1.51 0.06 -0.58 117.35 126.09 3dlb s TYR 135 Ca -0.04 -1.85 -0.22 0.00 -1.01 0.00 0.00 57.07 53.96 3dlb s TYR 135 Cb -0.09 -1.68 -0.23 0.00 -0.11 0.00 0.00 41.96 39.85 3dlb s TYR 135 CO 0.01 -0.79 0.46 0.00 -1.11 0.00 0.00 175.55 174.11 3dlb h ARG 136 N 7.94 0.07 -4.64 -0.62 3.08 -1.75 -1.71 114.38 116.75 3dlb h ARG 136 Ca -0.17 -0.12 -0.29 0.00 0.07 0.00 0.00 59.98 59.47 3dlb h ARG 136 Cb 1.06 0.05 -0.22 0.00 0.08 0.00 0.00 29.97 30.94 3dlb h ARG 136 CO 0.42 1.06 -0.74 -0.98 -1.07 0.00 0.00 179.97 178.66 3dlb s ARG 137 N -2.36 0.56 0.71 0.04 1.70 -1.16 -4.85 118.95 113.59 3dlb s ARG 137 Ca -0.24 -0.75 -0.15 0.00 -0.47 0.00 0.00 55.73 54.13 3dlb s ARG 137 Cb 0.03 -0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.08 3dlb s ARG 137 CO 0.67 0.07 1.17 -1.21 -1.08 0.00 0.00 175.30 174.92 3dlb s GLU 138 N -1.51 2.33 0.00 3.89 2.02 -1.26 -1.21 118.70 122.95 3dlb s GLU 138 Ca -0.08 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3dlb s GLU 138 Cb -0.10 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3dlb s GLU 138 CO 0.01 -1.66 0.03 0.72 0.02 0.00 0.00 175.26 174.37 3dlb n HIS 139 N -2.67 0.00 0.00 1.61 8.25 -0.59 -4.84 115.22 116.98 3dlb n HIS 139 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3dlb n HIS 139 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3dlb n HIS 139 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dlb n ALA 140 N -0.10 0.00 -1.07 -1.41 0.00 -1.25 -4.97 120.51 111.71 3dlb n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dlb n ALA 140 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3dlb n ALA 140 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3dlb n ARG 141 N -0.38 0.00 0.00 0.00 1.85 -1.26 -1.46 116.66 115.41 3dlb n ARG 141 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3dlb n ARG 141 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3dlb n ARG 141 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dlb n GLY 142 N 0.00 -1.24 3.61 2.89 0.00 -1.26 -4.26 105.19 104.94 3dlb n GLY 142 Ca 0.00 -1.60 -0.44 0.00 0.00 0.00 0.00 46.02 43.98 3dlb n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dlb n PRO 143 N -1.35 2.14 0.00 1.61 -0.04 -1.26 -3.44 135.00 132.66 3dlb n PRO 143 Ca 0.00 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3dlb n PRO 143 Cb 0.00 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 3dlb n PRO 143 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dlb n GLY 144 N 5.33 1.76 3.65 0.55 0.00 -1.26 -4.96 105.19 110.26 3dlb n GLY 144 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 3dlb n GLY 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3dlb s TRP 145 N -1.38 2.55 -0.30 1.61 1.48 -1.22 0.41 118.94 122.09 3dlb s TRP 145 Ca 0.00 -0.51 -0.16 0.00 -1.06 0.00 0.00 56.10 54.38 3dlb s TRP 145 Cb 0.00 -1.62 0.16 0.00 -1.16 0.00 0.00 33.47 30.85 3dlb s TRP 145 CO 0.00 0.42 1.02 -0.98 -4.06 0.00 0.00 176.95 173.35 3dlb s ARG 146 N -3.75 0.29 -0.01 3.25 1.70 -0.48 -4.04 118.95 115.92 3dlb s ARG 146 Ca 0.36 0.60 -0.18 0.00 -0.47 0.00 0.00 55.73 56.04 3dlb s ARG 146 Cb 0.02 0.22 -0.05 0.00 -0.57 0.00 0.00 34.95 34.57 3dlb s ARG 146 CO 0.20 -0.08 0.51 0.08 -1.08 0.00 0.00 175.30 174.93 3dlb s VAL 147 N 1.80 4.97 0.08 4.99 1.01 -0.54 -0.95 120.40 131.77 3dlb s VAL 147 Ca -0.06 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.06 3dlb s VAL 147 Cb -0.04 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3dlb s VAL 147 CO -0.16 0.47 -0.20 -0.76 0.00 0.00 0.00 175.10 174.46 3dlb s LEU 148 N -0.42 2.26 -0.08 3.92 1.43 0.86 -1.54 118.68 125.11 3dlb s LEU 148 Ca 0.27 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.80 3dlb s LEU 148 Cb -0.17 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3dlb s LEU 148 CO 0.15 0.07 -0.24 -0.83 0.23 0.00 0.00 176.35 175.72 3dlb s GLY 149 N -1.67 1.29 0.00 -3.19 0.00 -0.35 0.48 107.32 103.89 3dlb s GLY 149 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3dlb s GLY 149 CO 0.03 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.25 3dlb n GLY 150 N 3.21 3.58 3.61 0.20 0.00 -0.14 -2.27 105.19 113.39 3dlb n GLY 150 Ca -0.18 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 3dlb n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb s ALA 151 N -1.15 -1.78 0.10 4.61 0.00 0.25 -1.15 121.76 122.64 3dlb s ALA 151 Ca 0.00 1.91 -0.27 0.00 0.00 0.00 0.00 51.96 53.60 3dlb s ALA 151 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 3dlb s ALA 151 CO 0.00 -0.34 0.84 0.14 0.00 0.00 0.00 175.76 176.40 3dlb s VAL 152 N 0.11 4.55 0.39 0.00 -7.23 -0.68 -1.78 120.40 115.77 3dlb s VAL 152 Ca -0.02 1.82 0.06 0.00 -1.81 0.00 0.00 61.98 62.03 3dlb s VAL 152 Cb -0.04 -4.20 -0.08 0.00 0.56 0.00 0.00 36.38 32.62 3dlb s VAL 152 CO 0.02 0.38 0.02 -0.76 -0.31 0.00 0.00 175.10 174.46 3dlb s LEU 153 N -0.29 2.69 -0.06 1.32 1.43 0.13 -2.56 118.68 121.35 3dlb s LEU 153 Ca 0.41 -1.37 -0.21 0.00 -1.03 0.00 0.00 54.13 51.92 3dlb s LEU 153 Cb -0.22 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.28 3dlb s LEU 153 CO 0.26 -0.50 0.48 -0.62 0.23 0.00 0.00 176.35 176.21 3dlb s ASP 154 N -3.65 -0.42 -0.12 2.29 -1.08 -0.74 -4.79 116.67 108.15 3dlb s ASP 154 Ca 0.35 0.49 -0.04 0.00 -0.52 0.00 0.00 52.55 52.84 3dlb s ASP 154 Cb 0.10 0.53 0.06 0.00 -1.46 0.00 0.00 42.92 42.15 3dlb s ASP 154 CO 0.17 -0.45 0.17 -0.22 0.52 0.00 0.00 175.17 175.35 3dlb s LEU 155 N -0.97 -0.03 0.31 -1.34 2.96 -1.26 0.78 118.68 119.13 3dlb s LEU 155 Ca -0.10 0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 3dlb s LEU 155 Cb -0.03 0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.86 3dlb s LEU 155 CO 0.06 -0.28 0.26 -1.66 -1.32 0.00 0.00 176.35 173.41 3dlb s TRP 156 N 2.28 1.68 0.16 5.38 1.48 -0.24 -1.96 118.94 127.73 3dlb s TRP 156 Ca 0.04 -1.63 0.05 0.00 -1.06 0.00 0.00 56.10 53.50 3dlb s TRP 156 Cb -0.13 -0.69 -0.04 0.00 -1.16 0.00 0.00 33.47 31.45 3dlb s TRP 156 CO -0.08 -0.85 0.15 0.08 -4.06 0.00 0.00 176.95 172.19 3dlb s VAL 157 N -3.52 4.54 0.51 -0.66 1.01 -1.26 0.92 120.40 121.93 3dlb s VAL 157 Ca 0.40 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.41 3dlb s VAL 157 Cb 0.03 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.13 3dlb s VAL 157 CO 0.26 -0.11 0.55 -0.94 0.00 0.00 0.00 175.10 174.86 3dlb s SER 158 N -3.11 5.03 0.00 3.32 1.04 -0.91 -4.89 113.70 114.17 3dlb s SER 158 Ca 0.31 -0.88 0.16 0.00 0.48 0.00 0.00 55.95 56.03 3dlb s SER 158 Cb -0.10 -0.01 0.72 0.00 0.10 0.00 0.00 66.02 66.73 3dlb s SER 158 CO 0.24 -1.03 1.52 -0.90 0.98 0.00 0.00 173.24 174.05 3dlb n ASP 159 N -1.89 0.00 0.10 7.02 5.68 -1.26 -1.07 116.55 125.14 3dlb n ASP 159 Ca 0.07 0.45 0.10 0.00 -0.50 0.00 0.00 54.79 54.91 3dlb n ASP 159 Cb 0.62 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 3dlb n ASP 159 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3dlb h SER 160 N 0.00 0.00 0.00 -1.12 0.02 -1.94 -3.36 113.55 107.16 3dlb h SER 160 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dlb h SER 160 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3dlb h SER 160 CO 0.00 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 3dlb n GLY 161 N 1.20 1.28 3.28 -3.77 0.00 -0.23 -5.02 105.19 101.93 3dlb n GLY 161 Ca -0.01 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 3dlb n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb s ALA 162 N -2.00 1.67 0.36 4.61 0.00 -1.26 -1.63 121.76 123.52 3dlb s ALA 162 Ca 0.00 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 50.27 3dlb s ALA 162 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.94 3dlb s ALA 162 CO 0.00 0.10 1.29 -0.06 0.00 0.00 0.00 175.76 177.09 3dlb s PHE 163 N -2.41 2.97 -0.07 0.00 0.40 -1.08 -2.15 117.98 115.63 3dlb s PHE 163 Ca 0.13 1.43 0.02 0.00 -0.60 0.00 0.00 56.93 57.91 3dlb s PHE 163 Cb -0.03 -3.65 0.01 0.00 0.51 0.00 0.00 43.02 39.86 3dlb s PHE 163 CO 0.04 -1.89 -0.12 -1.17 0.70 0.00 0.00 175.22 172.78 3dlb s LEU 164 N -2.08 1.62 -0.15 -0.37 2.96 0.26 -0.80 118.68 120.11 3dlb s LEU 164 Ca 0.52 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3dlb s LEU 164 Cb -0.38 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 3dlb s LEU 164 CO 0.50 0.02 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.25 3dlb s LEU 165 N 0.79 2.95 -0.06 -0.68 2.96 -0.03 -1.08 118.68 123.53 3dlb s LEU 165 Ca -0.12 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3dlb s LEU 165 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 3dlb s LEU 165 CO 0.02 0.14 0.08 -0.70 -1.32 0.00 0.00 176.35 174.57 3dlb s GLU 166 N 0.52 3.15 -0.08 1.98 2.12 0.23 -1.37 118.70 125.25 3dlb s GLU 166 Ca -0.06 -0.37 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 3dlb s GLU 166 Cb -0.15 -2.93 0.04 0.00 0.26 0.00 0.00 34.13 31.35 3dlb s GLU 166 CO 0.03 0.70 0.16 0.08 -0.54 0.00 0.00 175.26 175.70 3dlb s VAL 167 N -1.07 -0.12 -0.16 3.70 1.01 -1.09 -1.80 120.40 120.86 3dlb s VAL 167 Ca 0.18 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 3dlb s VAL 167 Cb -0.12 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 36.06 3dlb s VAL 167 CO 0.08 0.09 0.22 -0.62 0.00 0.00 0.00 175.10 174.88 3dlb s ASP 168 N 1.54 1.01 0.31 3.32 2.15 -1.06 -4.88 116.67 119.06 3dlb s ASP 168 Ca -0.05 0.08 -0.28 0.00 0.43 0.00 0.00 52.55 52.72 3dlb s ASP 168 Cb -0.12 0.45 -0.13 0.00 -0.30 0.00 0.00 42.92 42.82 3dlb s ASP 168 CO -0.06 -0.29 1.09 -2.65 -0.17 0.00 0.00 175.17 173.09 3dlb n PRO 169 N 5.33 1.58 -3.94 4.34 -0.02 -1.26 -1.69 135.00 139.34 3dlb n PRO 169 Ca -0.05 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3dlb n PRO 169 Cb 0.50 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 3dlb n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dlb s ALA 170 N -1.09 -0.24 0.08 3.55 0.00 -0.30 -4.81 121.76 118.96 3dlb s ALA 170 Ca 0.58 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3dlb s ALA 170 Cb -0.65 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3dlb s ALA 170 CO 0.60 -0.76 -0.14 1.52 0.00 0.00 0.00 175.76 176.98 3dlb s TYR 171 N -3.98 1.25 -0.05 0.00 1.13 -1.26 -0.96 117.35 113.47 3dlb s TYR 171 Ca 0.19 -0.49 0.02 0.00 -1.41 0.00 0.00 57.07 55.38 3dlb s TYR 171 Cb 0.01 -0.69 0.02 0.00 -1.10 0.00 0.00 41.96 40.20 3dlb s TYR 171 CO 0.04 0.07 -0.07 0.50 -2.51 0.00 0.00 175.55 173.58 3dlb s ARG 172 N -1.96 1.11 -0.38 -3.49 6.06 0.18 -4.95 118.95 115.52 3dlb s ARG 172 Ca 0.00 -0.22 -0.16 0.00 -2.50 0.00 0.00 55.73 52.85 3dlb s ARG 172 Cb -0.09 -1.01 0.00 0.00 0.06 0.00 0.00 34.95 33.91 3dlb s ARG 172 CO 0.02 -0.03 0.42 0.42 -2.50 0.00 0.00 175.30 173.63 3dlb s ILE 173 N 0.76 5.11 -0.01 4.11 1.01 -1.26 -0.10 121.20 130.82 3dlb s ILE 173 Ca -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 3dlb s ILE 173 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3dlb s ILE 173 CO 0.01 -0.25 0.17 -0.76 0.00 0.00 0.00 174.94 174.11 3dlb s LEU 174 N 2.13 4.31 -0.21 2.97 1.43 -0.13 -4.42 118.68 124.76 3dlb s LEU 174 Ca 0.13 0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 3dlb s LEU 174 Cb -0.17 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 3dlb s LEU 174 CO 0.13 0.27 0.11 0.00 0.23 0.00 0.00 176.35 177.08 3dlb n GLU 176 N 3.85 1.59 -4.16 0.00 1.02 1.38 -4.94 120.64 119.38 3dlb n GLU 176 Ca -0.16 -0.91 -0.15 0.00 -0.02 0.00 0.00 57.16 55.92 3dlb n GLU 176 Cb 0.52 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.60 3dlb n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dlb s MET 177 N -1.72 1.67 0.77 3.49 0.23 -1.26 -4.99 119.30 117.50 3dlb s MET 177 Ca 0.24 -1.76 -0.11 0.00 -1.03 0.00 0.00 55.69 53.03 3dlb s MET 177 Cb 0.12 0.37 0.06 0.00 -1.53 0.00 0.00 34.83 33.85 3dlb s MET 177 CO 0.18 -0.65 1.08 -1.54 -2.03 0.00 0.00 175.02 172.06 3dlb s SER 178 N -3.24 4.60 0.47 -1.18 1.04 -1.26 -4.54 113.70 109.59 3dlb s SER 178 Ca 0.35 1.63 0.24 0.00 0.48 0.00 0.00 55.95 58.65 3dlb s SER 178 Cb 0.02 -2.39 1.18 0.00 0.10 0.00 0.00 66.02 64.93 3dlb s SER 178 CO 0.20 -1.95 1.96 0.25 0.98 0.00 0.00 173.24 174.68 3dlb h LEU 179 N -1.07 0.00 0.02 2.42 6.46 0.14 0.28 115.31 123.56 3dlb h LEU 179 Ca -0.45 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.31 3dlb h LEU 179 Cb 1.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 3dlb h LEU 179 CO 0.55 0.19 -0.01 -0.08 -0.62 0.00 0.00 178.44 178.47 3dlb h GLU 180 N 0.00 -0.03 0.45 1.25 4.57 -1.78 -2.11 114.58 116.93 3dlb h GLU 180 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3dlb h GLU 180 Cb 0.50 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3dlb h GLU 180 CO 0.03 0.51 -0.33 0.00 -1.18 0.00 0.00 179.01 178.04 3dlb h ALA 181 N 0.36 -0.77 -0.74 2.92 0.00 -1.77 0.55 119.26 119.80 3dlb h ALA 181 Ca -0.00 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.90 3dlb h ALA 181 Cb 0.55 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3dlb h ALA 181 CO 0.01 -0.96 0.31 2.35 0.00 0.00 0.00 179.25 180.95 3dlb h TRP 182 N -0.76 0.53 -0.04 0.00 7.01 -1.03 -0.51 115.95 121.15 3dlb h TRP 182 Ca -0.05 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.82 3dlb h TRP 182 Cb 0.65 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3dlb h TRP 182 CO -0.13 0.09 -0.72 -0.07 -2.79 0.00 0.00 178.44 174.81 3dlb h LEU 183 N 0.47 0.28 -0.59 0.65 3.38 -1.21 -2.94 115.31 115.35 3dlb h LEU 183 Ca 0.40 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dlb h LEU 183 Cb 0.58 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3dlb h LEU 183 CO -0.38 0.90 0.36 0.00 0.09 0.00 0.00 178.44 179.41 3dlb h ALA 184 N 1.09 0.75 0.00 1.53 0.00 0.64 -1.77 119.26 121.50 3dlb h ALA 184 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3dlb h ALA 184 Cb 1.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dlb h ALA 184 CO 0.11 0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.63 3dlb n GLN 185 N -4.63 0.72 -0.02 0.00 6.02 -0.50 -4.86 117.38 114.10 3dlb n GLN 185 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 3dlb n GLN 185 Cb 0.05 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.16 3dlb n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dlb n GLY 186 N 0.19 1.72 3.76 1.08 0.00 -0.66 -5.05 105.19 106.23 3dlb n GLY 186 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3dlb n GLY 186 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dlb s HIS 187 N -2.61 2.71 1.20 1.61 3.76 -1.12 -4.99 115.29 115.85 3dlb s HIS 187 Ca 0.00 1.42 -0.13 0.00 -0.15 0.00 0.00 55.06 56.19 3dlb s HIS 187 Cb 0.00 -3.65 0.30 0.00 1.11 0.00 0.00 32.58 30.34 3dlb s HIS 187 CO 0.00 -2.18 1.02 -1.25 -0.85 0.00 0.00 174.74 171.48 3dlb s PRO 188 N -2.46 -1.20 -0.25 8.40 0.04 -1.26 -4.53 135.00 133.74 3dlb s PRO 188 Ca 0.61 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 3dlb s PRO 188 Cb -0.37 -1.53 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 3dlb s PRO 188 CO 0.46 -3.89 1.31 -1.17 0.04 0.00 0.00 177.00 173.76 3dlb s LEU 189 N -7.31 3.98 0.83 -3.56 2.96 -1.26 -4.92 118.68 109.40 3dlb s LEU 189 Ca 0.69 1.41 -0.11 0.00 -0.22 0.00 0.00 54.13 55.89 3dlb s LEU 189 Cb -0.25 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 42.99 3dlb s LEU 189 CO 0.65 -0.99 1.09 -2.16 -1.32 0.00 0.00 176.35 173.63 3dlb s PRO 190 N 3.98 1.82 0.06 0.98 0.04 -1.26 -4.99 135.00 135.64 3dlb s PRO 190 Ca 0.57 0.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 3dlb s PRO 190 Cb -0.19 -1.88 -0.25 0.00 0.04 0.00 0.00 34.50 32.22 3dlb s PRO 190 CO 0.21 -1.83 1.16 1.57 0.04 0.00 0.00 177.00 178.15 3dlb h LYS 191 N -1.24 0.67 -5.51 4.56 -0.00 -1.89 -3.42 116.57 109.73 3dlb h LYS 191 Ca -0.48 -0.75 -0.49 0.00 -0.00 0.00 0.00 60.65 58.93 3dlb h LYS 191 Cb 1.27 0.22 -0.26 0.00 -0.00 0.00 0.00 32.23 33.47 3dlb h LYS 191 CO 0.57 1.33 -0.81 1.03 -0.00 0.00 0.00 179.45 181.57 3dlb s ARG 192 N -3.24 1.09 0.13 0.07 3.00 -1.26 -0.40 118.95 118.34 3dlb s ARG 192 Ca -0.10 -0.76 0.08 0.00 0.00 0.00 0.00 55.73 54.95 3dlb s ARG 192 Cb 0.06 -1.12 -0.04 0.00 0.00 0.00 0.00 34.95 33.86 3dlb s ARG 192 CO 0.92 0.29 -0.19 0.08 0.00 0.00 0.00 175.30 176.39 3dlb s VAL 193 N -0.74 1.72 0.15 3.52 1.01 0.28 -1.00 120.40 125.34 3dlb s VAL 193 Ca 0.04 -1.71 0.09 0.00 0.00 0.00 0.00 61.98 60.41 3dlb s VAL 193 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3dlb s VAL 193 CO 0.01 -0.19 -0.17 -0.60 0.00 0.00 0.00 175.10 174.15 3dlb s ARG 194 N -2.33 1.81 0.53 2.72 3.00 -0.46 0.12 118.95 124.35 3dlb s ARG 194 Ca 0.10 -1.28 -0.19 0.00 -1.00 0.00 0.00 55.73 53.36 3dlb s ARG 194 Cb -0.08 -2.07 -0.06 0.00 0.00 0.00 0.00 34.95 32.74 3dlb s ARG 194 CO 0.05 0.45 1.09 -0.80 0.00 0.00 0.00 175.30 176.09 3dlb s ASN 195 N -2.46 5.90 0.05 -2.12 0.01 0.78 -1.32 114.94 115.78 3dlb s ASN 195 Ca 0.21 2.06 -0.02 0.00 -0.71 0.00 0.00 52.86 54.40 3dlb s ASN 195 Cb -0.09 -2.57 -0.27 0.00 0.41 0.00 0.00 41.25 38.73 3dlb s ASN 195 CO 0.12 -1.09 1.02 0.00 -1.51 0.00 0.00 177.10 175.64 3dlb h ALA 196 N 1.21 0.23 0.00 0.60 0.00 -1.47 -3.33 119.26 116.50 3dlb h ALA 196 Ca -0.49 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.41 3dlb h ALA 196 Cb 1.24 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dlb h ALA 196 CO 0.57 1.11 0.00 2.48 0.00 0.00 0.00 179.25 183.41 3dlb n TYR 197 N -3.45 0.00 -3.84 0.00 4.11 -1.26 -4.91 117.16 107.80 3dlb n TYR 197 Ca -0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.73 3dlb n TYR 197 Cb 1.02 -0.34 0.02 0.00 -0.00 0.00 0.00 39.34 40.04 3dlb n TYR 197 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.86 177.02 3dlb s ASP 198 N -2.69 0.01 0.00 9.48 1.47 -1.25 -5.05 116.67 118.64 3dlb s ASP 198 Ca 0.25 -0.94 0.12 0.00 1.18 0.00 0.00 52.55 53.15 3dlb s ASP 198 Cb 0.20 0.70 0.40 0.00 -0.34 0.00 0.00 42.92 43.88 3dlb s ASP 198 CO 0.48 -1.38 1.31 -2.11 0.68 0.00 0.00 175.17 174.15 3dlb n ARG 199 N -0.61 1.64 -2.05 2.11 -4.01 -1.26 -3.82 116.66 108.66 3dlb n ARG 199 Ca -0.06 -0.99 -0.41 0.00 -1.04 0.00 0.00 57.85 55.35 3dlb n ARG 199 Cb 0.60 -1.26 -0.02 0.00 -3.04 0.00 0.00 32.46 28.73 3dlb n ARG 199 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 3dlb s ARG 200 N -1.67 4.30 0.41 2.89 3.52 -1.26 -4.76 118.95 122.37 3dlb s ARG 200 Ca 0.22 2.27 0.08 0.00 -0.13 0.00 0.00 55.73 58.17 3dlb s ARG 200 Cb 0.12 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3dlb s ARG 200 CO 0.16 -0.34 0.25 0.95 -0.81 0.00 0.00 175.30 175.52 3dlb s THR 201 N -0.42 2.50 0.30 4.11 -4.23 -1.26 -0.16 115.64 116.48 3dlb s THR 201 Ca 0.55 -1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 59.39 3dlb s THR 201 Cb -0.41 -3.00 0.01 0.00 1.34 0.00 0.00 72.50 70.44 3dlb s THR 201 CO 0.47 -0.01 0.57 0.26 -0.54 0.00 0.00 174.62 175.36 3dlb s TRP 202 N -2.54 0.44 -0.26 3.99 0.52 0.32 -4.64 118.94 116.77 3dlb s TRP 202 Ca 0.43 -0.84 -0.10 0.00 0.02 0.00 0.00 56.10 55.61 3dlb s TRP 202 Cb 0.01 0.31 -0.05 0.00 -1.15 0.00 0.00 33.47 32.59 3dlb s TRP 202 CO 0.25 -1.18 0.16 -2.00 0.02 0.00 0.00 176.95 174.20 3dlb s GLU 203 N -3.40 3.94 -0.13 4.98 2.12 -0.98 -0.55 118.70 124.67 3dlb s GLU 203 Ca 0.22 -0.33 -0.23 0.00 0.36 0.00 0.00 54.97 54.99 3dlb s GLU 203 Cb -0.02 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 3dlb s GLU 203 CO 0.12 -0.11 0.71 -1.17 -0.54 0.00 0.00 175.26 174.27 3dlb s LEU 204 N 1.54 4.23 -0.27 2.70 0.20 0.46 -0.21 118.68 127.33 3dlb s LEU 204 Ca 0.07 1.08 -0.15 0.00 0.69 0.00 0.00 54.13 55.82 3dlb s LEU 204 Cb -0.15 -3.06 -0.13 0.00 -0.43 0.00 0.00 46.19 42.42 3dlb s LEU 204 CO 0.08 -0.23 -0.29 0.18 -0.29 0.00 0.00 176.35 175.80 3dlb n LEU 205 N 4.50 1.95 -3.81 -0.68 4.77 -0.99 -4.82 117.00 117.91 3dlb n LEU 205 Ca 0.00 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3dlb n LEU 205 Cb 0.50 -0.84 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3dlb n LEU 205 CO 0.46 0.52 0.94 0.00 -1.33 0.00 0.00 177.39 177.98 3dlb s ARG 206 N -2.50 0.81 0.44 3.23 1.70 -1.19 -5.06 118.95 116.37 3dlb s ARG 206 Ca -0.37 -0.49 0.05 0.00 -0.47 0.00 0.00 55.73 54.45 3dlb s ARG 206 Cb 0.14 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 3dlb s ARG 206 CO 0.50 -0.37 0.61 -1.17 -1.08 0.00 0.00 175.30 173.79 3dlb s LEU 207 N -3.31 3.63 0.05 -1.89 2.96 -1.26 -1.75 118.68 117.11 3dlb s LEU 207 Ca 0.20 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3dlb s LEU 207 Cb 0.00 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 3dlb s LEU 207 CO 0.01 -0.78 -0.09 -0.83 -1.32 0.00 0.00 176.35 173.34 3dlb s GLY 208 N -4.32 0.57 0.20 7.98 0.00 0.14 -4.74 107.32 107.16 3dlb s GLY 208 Ca 0.53 -0.83 0.24 0.00 0.00 0.00 0.00 44.72 44.66 3dlb s GLY 208 CO 0.34 -0.88 1.41 1.05 0.00 0.00 0.00 173.10 175.02 3dlb h GLU 209 N 4.38 0.00 -6.99 2.90 -0.00 -2.00 -3.35 114.58 109.52 3dlb h GLU 209 Ca -0.36 0.00 -0.56 0.00 -0.00 0.00 0.00 59.36 58.43 3dlb h GLU 209 Cb 1.20 0.00 0.16 0.00 -0.00 0.00 0.00 28.75 30.11 3dlb h GLU 209 CO 0.42 0.00 0.39 -0.85 -0.00 0.00 0.00 179.01 178.97 3dlb n GLU 210 N -2.39 1.16 -2.86 1.06 0.00 -1.26 -4.94 120.64 111.41 3dlb n GLU 210 Ca 0.03 0.45 -0.42 0.00 0.00 0.00 0.00 57.16 57.22 3dlb n GLU 210 Cb 0.47 -2.40 -0.04 0.00 0.00 0.00 0.00 31.44 29.47 3dlb n GLU 210 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 3dlb s ASP 211 N -1.22 6.76 0.26 -1.84 3.84 -1.26 -4.40 116.67 118.80 3dlb s ASP 211 Ca 0.78 0.82 -0.04 0.00 -0.00 0.00 0.00 52.55 54.11 3dlb s ASP 211 Cb -0.40 -2.45 0.53 0.00 -1.38 0.00 0.00 42.92 39.22 3dlb s ASP 211 CO 0.45 -0.66 1.65 1.55 -0.00 0.00 0.00 175.17 178.16 3dlb h PRO 212 N 8.03 0.18 -1.10 2.11 0.13 -1.92 0.17 132.00 139.60 3dlb h PRO 212 Ca -0.23 -0.01 0.31 0.00 -0.87 0.00 0.00 66.00 65.20 3dlb h PRO 212 Cb 1.09 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 3dlb h PRO 212 CO 0.92 0.12 0.78 1.57 -0.23 0.00 0.00 178.00 181.16 3dlb h LYS 213 N 0.19 0.07 0.00 0.86 2.10 -1.96 -2.54 116.57 115.29 3dlb h LYS 213 Ca 0.46 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 3dlb h LYS 213 Cb 0.84 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 3dlb h LYS 213 CO -0.61 0.05 0.00 0.39 -2.00 0.00 0.00 179.45 177.27 3dlb n GLU 214 N -4.28 1.95 -2.72 0.07 -0.58 0.47 -4.79 120.64 110.76 3dlb n GLU 214 Ca 0.24 -1.22 -0.42 0.00 -0.42 0.00 0.00 57.16 55.34 3dlb n GLU 214 Cb 1.12 -0.97 -0.03 0.00 -0.57 0.00 0.00 31.44 31.00 3dlb n GLU 214 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3dlb s LEU 215 N -0.72 4.19 -0.09 -4.62 2.96 -0.51 -4.96 118.68 114.94 3dlb s LEU 215 Ca 0.00 1.42 -0.19 0.00 -0.22 0.00 0.00 54.13 55.15 3dlb s LEU 215 Cb 0.00 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 3dlb s LEU 215 CO 0.00 -0.50 0.51 -2.16 -1.32 0.00 0.00 176.35 172.87 3dlb s PRO 216 N 2.37 4.31 0.52 0.98 0.04 -1.26 -0.43 135.00 141.54 3dlb s PRO 216 Ca 0.45 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 3dlb s PRO 216 Cb -0.17 -3.41 -0.07 0.00 0.04 0.00 0.00 34.50 30.89 3dlb s PRO 216 CO 0.14 0.22 0.99 -0.51 0.04 0.00 0.00 177.00 177.87 3dlb s LEU 217 N 0.41 3.61 0.00 -3.56 1.02 0.35 -4.86 118.68 115.65 3dlb s LEU 217 Ca 0.27 1.59 -0.00 0.00 0.02 0.00 0.00 54.13 56.02 3dlb s LEU 217 Cb -0.16 -4.51 -0.00 0.00 0.02 0.00 0.00 46.19 41.54 3dlb s LEU 217 CO 0.12 -0.64 0.01 -2.65 0.02 0.00 0.00 176.35 173.20 3dlb n PRO 218 N -1.63 -0.00 0.00 1.29 -0.02 -1.26 0.11 135.00 133.49 3dlb n PRO 218 Ca 0.07 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.60 3dlb n PRO 218 Cb 0.54 -0.01 0.28 0.00 -0.02 0.00 0.00 33.50 34.29 3dlb n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dlb n GLY 219 N -1.00 -0.64 0.00 -1.23 0.00 -1.26 -4.83 105.19 96.22 3dlb n GLY 219 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3dlb n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 220 N 0.21 2.46 3.77 -0.02 0.00 0.29 -5.09 105.19 106.80 3dlb n GLY 220 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3dlb n GLY 220 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dlb s LEU 221 N 0.00 4.40 0.57 0.99 2.96 -1.23 -4.51 118.68 121.87 3dlb s LEU 221 Ca 0.00 2.74 -0.19 0.00 -0.22 0.00 0.00 54.13 56.46 3dlb s LEU 221 Cb 0.00 -3.65 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3dlb s LEU 221 CO 0.00 -0.61 1.16 -0.94 -1.32 0.00 0.00 176.35 174.64 3dlb s SER 222 N -0.28 5.44 0.38 3.68 1.04 -1.26 0.13 113.70 122.82 3dlb s SER 222 Ca 0.51 2.25 0.14 0.00 0.48 0.00 0.00 55.95 59.33 3dlb s SER 222 Cb -0.41 -2.59 0.74 0.00 0.10 0.00 0.00 66.02 63.87 3dlb s SER 222 CO 0.53 -1.42 1.83 0.25 0.98 0.00 0.00 173.24 175.40 3dlb h LEU 223 N 0.97 0.00 0.02 2.42 7.12 -0.86 -2.02 115.31 122.96 3dlb h LEU 223 Ca -0.50 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.51 3dlb h LEU 223 Cb 1.28 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 3dlb h LEU 223 CO 0.56 0.37 -0.01 0.25 -0.13 0.00 0.00 178.44 179.48 3dlb h LEU 224 N 0.00 -0.02 -2.06 2.25 5.85 -1.80 -3.20 115.31 116.32 3dlb h LEU 224 Ca -0.00 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.14 3dlb h LEU 224 Cb 0.67 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3dlb h LEU 224 CO 0.05 0.66 0.18 0.44 -0.34 0.00 0.00 178.44 179.43 3dlb h ASP 225 N -0.73 0.00 0.60 1.25 3.32 -1.84 0.18 116.42 119.20 3dlb h ASP 225 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3dlb h ASP 225 Cb 0.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3dlb h ASP 225 CO 0.00 0.00 -0.35 0.22 -1.72 0.00 0.00 179.24 177.39 3dlb h TYR 226 N 0.00 -0.93 -0.02 4.55 3.20 -1.36 -0.18 116.97 122.23 3dlb h TYR 226 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3dlb h TYR 226 Cb 0.48 0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.08 3dlb h TYR 226 CO 0.00 -0.54 -0.12 0.45 -1.64 0.00 0.00 178.16 176.31 3dlb h HIS 227 N -0.89 0.16 -0.85 -3.82 3.86 -1.49 -3.13 115.15 108.99 3dlb h HIS 227 Ca -0.07 -0.07 0.18 0.00 -1.16 0.00 0.00 60.37 59.24 3dlb h HIS 227 Cb 0.72 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.01 3dlb h HIS 227 CO -0.09 0.79 -0.17 0.00 0.86 0.00 0.00 177.93 179.32 3dlb h ALA 228 N 0.34 0.62 -0.22 2.45 0.00 -0.65 0.67 119.26 122.47 3dlb h ALA 228 Ca -0.01 0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3dlb h ALA 228 Cb 0.81 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3dlb h ALA 228 CO 0.02 -0.41 -0.09 1.03 0.00 0.00 0.00 179.25 179.80 3dlb h SER 229 N 0.01 0.33 0.00 0.00 0.87 -1.09 -1.89 113.55 111.77 3dlb h SER 229 Ca 0.42 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 3dlb h SER 229 Cb 0.67 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3dlb h SER 229 CO -0.86 0.46 0.00 0.29 -0.53 0.00 0.00 176.83 176.19 3dlb n LYS 230 N -4.27 0.99 -1.29 2.24 4.76 0.23 -4.83 118.16 116.00 3dlb n LYS 230 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3dlb n LYS 230 Cb 0.27 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 3dlb n LYS 230 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dlb n GLY 231 N 0.16 1.13 0.02 0.72 0.00 -0.71 -4.76 105.19 101.75 3dlb n GLY 231 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3dlb n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dlb n ARG 232 N -1.25 0.06 0.01 1.61 1.74 -1.17 -3.15 116.66 114.52 3dlb n ARG 232 Ca -0.12 0.05 -0.05 0.00 -0.77 0.00 0.00 57.85 56.96 3dlb n ARG 232 Cb 0.51 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3dlb n ARG 232 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3dlb h LEU 233 N 0.00 0.00 -8.80 0.55 5.85 -1.79 -3.45 115.31 107.67 3dlb h LEU 233 Ca 0.00 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.01 3dlb h LEU 233 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3dlb h LEU 233 CO 0.00 0.82 1.16 0.00 -0.34 0.00 0.00 178.44 180.08 3dlb n GLN 234 N -3.01 1.06 -1.20 1.25 3.00 -1.19 -0.72 117.38 116.57 3dlb n GLN 234 Ca -0.12 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 3dlb n GLN 234 Cb 0.95 -2.21 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3dlb n GLN 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dlb n GLY 235 N 5.45 0.58 0.94 1.08 0.00 -1.26 -5.05 105.19 106.92 3dlb n GLY 235 Ca 0.35 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 3dlb n GLY 235 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dlb n ARG 236 N -1.97 0.16 -4.18 1.61 1.85 0.10 -5.15 116.66 109.07 3dlb n ARG 236 Ca 0.00 -0.87 -0.23 0.00 -1.00 0.00 0.00 57.85 55.74 3dlb n ARG 236 Cb 0.19 0.77 -0.17 0.00 -1.05 0.00 0.00 32.46 32.21 3dlb n ARG 236 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3dlb s GLU 237 N -2.31 1.21 0.30 2.89 2.12 -1.26 -5.04 118.70 116.61 3dlb s GLU 237 Ca 0.10 -0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 3dlb s GLU 237 Cb 0.00 -1.19 0.45 0.00 0.26 0.00 0.00 34.13 33.65 3dlb s GLU 237 CO 0.07 -0.12 1.92 0.78 -0.54 0.00 0.00 175.26 177.37 3dlb h GLY 238 N 7.48 1.02 0.00 -1.50 0.00 -1.93 -3.31 103.07 104.83 3dlb h GLY 238 Ca -0.32 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3dlb h GLY 238 CO 0.43 0.44 0.00 0.61 0.00 0.00 0.00 176.54 178.02 3dlb n GLY 239 N -1.20 0.54 3.95 4.60 0.00 -1.26 -0.33 105.19 111.49 3dlb n GLY 239 Ca 0.07 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3dlb n GLY 239 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlb s ARG 240 N 0.00 2.91 0.09 1.61 6.06 -1.26 -4.86 118.95 123.50 3dlb s ARG 240 Ca 0.00 -1.18 -0.30 0.00 -2.50 0.00 0.00 55.73 51.75 3dlb s ARG 240 Cb 0.00 -2.68 -0.06 0.00 0.06 0.00 0.00 34.95 32.27 3dlb s ARG 240 CO 0.00 -0.02 1.06 0.08 -2.50 0.00 0.00 175.30 173.91 3dlb s VAL 241 N -2.27 4.32 -0.26 7.11 1.01 -1.26 -0.71 120.40 128.34 3dlb s VAL 241 Ca 0.46 1.81 0.02 0.00 0.00 0.00 0.00 61.98 64.28 3dlb s VAL 241 Cb -0.08 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 32.21 3dlb s VAL 241 CO 0.30 0.22 -0.08 0.00 0.00 0.00 0.00 175.10 175.54 3dlb s ALA 242 N 0.42 2.40 -0.02 5.51 0.00 0.22 -0.69 121.76 129.60 3dlb s ALA 242 Ca 0.51 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 3dlb s ALA 242 Cb -0.26 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 3dlb s ALA 242 CO 0.31 -1.24 1.42 -1.58 0.00 0.00 0.00 175.76 174.67 3dlb s TRP 243 N 1.18 2.74 0.30 0.00 0.52 -0.72 -1.82 118.94 121.15 3dlb s TRP 243 Ca -0.06 0.76 0.08 0.00 0.02 0.00 0.00 56.10 56.89 3dlb s TRP 243 Cb -0.20 -3.68 -0.06 0.00 -1.15 0.00 0.00 33.47 28.39 3dlb s TRP 243 CO -0.06 -2.55 -0.07 0.08 0.02 0.00 0.00 176.95 174.37 3dlb s VAL 244 N 2.71 1.87 0.28 4.03 1.01 -0.26 -2.35 120.40 127.69 3dlb s VAL 244 Ca 0.64 -2.16 0.07 0.00 0.00 0.00 0.00 61.98 60.53 3dlb s VAL 244 Cb -0.31 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 3dlb s VAL 244 CO 0.26 -0.26 -0.07 0.00 0.00 0.00 0.00 175.10 175.02 3dlb s ALA 245 N -2.86 2.41 0.10 5.51 0.00 0.71 -0.28 121.76 127.34 3dlb s ALA 245 Ca 0.31 -1.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.07 3dlb s ALA 245 Cb 0.03 0.13 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 3dlb s ALA 245 CO 0.14 -0.03 1.47 0.22 0.00 0.00 0.00 175.76 177.56 3dlb h ASP 246 N 2.27 -1.45 -0.23 0.00 3.58 -1.77 -2.61 116.42 116.20 3dlb h ASP 246 Ca -0.40 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3dlb h ASP 246 Cb 1.24 0.56 0.00 0.00 1.72 0.00 0.00 39.33 42.84 3dlb h ASP 246 CO 0.67 -0.43 0.00 -0.81 -2.88 0.00 0.00 179.24 175.79 3dlb n PRO 247 N -5.02 2.33 0.25 0.28 -0.04 -1.26 -4.47 135.00 127.07 3dlb n PRO 247 Ca -0.06 -1.17 0.14 0.00 -0.04 0.00 0.00 63.50 62.36 3dlb n PRO 247 Cb 0.33 -1.68 0.54 0.00 -0.04 0.00 0.00 33.50 32.66 3dlb n PRO 247 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3dlb h LYS 248 N 1.56 0.00 -2.31 0.54 1.57 -1.99 -3.08 116.57 112.87 3dlb h LYS 248 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 3dlb h LYS 248 Cb 0.93 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.82 3dlb h LYS 248 CO 0.15 0.10 -0.64 -0.25 -0.57 0.00 0.00 179.45 178.24 3dlb n ASP 249 N -3.22 3.25 0.26 0.86 10.43 -1.26 -4.94 116.55 121.92 3dlb n ASP 249 Ca 0.01 -3.32 0.17 0.00 2.57 0.00 0.00 54.79 54.22 3dlb n ASP 249 Cb 0.38 -0.68 0.89 0.00 1.84 0.00 0.00 41.12 43.55 3dlb n ASP 249 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 3dlb h PRO 250 N 4.36 0.00 0.00 -0.24 0.13 -1.94 -2.96 132.00 131.36 3dlb h PRO 250 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dlb h PRO 250 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3dlb h PRO 250 CO 0.78 0.00 -0.96 0.54 -0.23 0.00 0.00 178.00 178.13 3dlb n ARG 251 N -2.74 0.46 -3.79 0.86 1.74 -1.26 -4.83 116.66 107.10 3dlb n ARG 251 Ca -0.02 0.07 -0.37 0.00 -0.77 0.00 0.00 57.85 56.77 3dlb n ARG 251 Cb 0.10 -1.73 -0.13 0.00 -1.02 0.00 0.00 32.46 29.68 3dlb n ARG 251 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3dlb s LYS 252 N -3.29 2.91 0.20 5.56 2.20 -1.12 -5.09 119.74 121.12 3dlb s LYS 252 Ca 0.02 -0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 54.36 3dlb s LYS 252 Cb 0.12 -3.34 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 3dlb s LYS 252 CO 0.78 -0.50 1.09 -1.25 -0.36 0.00 0.00 175.35 175.11 3dlb s PRO 253 N 1.44 4.61 0.10 4.03 0.04 -1.26 -4.43 135.00 139.54 3dlb s PRO 253 Ca 0.01 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.86 3dlb s PRO 253 Cb -0.18 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 3dlb s PRO 253 CO 0.02 0.12 -0.24 0.96 0.04 0.00 0.00 177.00 177.90 3dlb s ILE 254 N -0.44 1.94 0.44 0.56 -4.36 0.61 -4.94 121.20 115.01 3dlb s ILE 254 Ca 0.48 -1.57 -0.09 0.00 -0.26 0.00 0.00 60.65 59.21 3dlb s ILE 254 Cb -0.30 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 3dlb s ILE 254 CO 0.36 0.06 0.79 -2.16 0.24 0.00 0.00 174.94 174.23 3dlb s PRO 255 N -1.82 3.69 0.12 0.37 0.04 -1.26 -1.11 135.00 135.03 3dlb s PRO 255 Ca 0.10 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.50 3dlb s PRO 255 Cb -0.10 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.09 3dlb s PRO 255 CO 0.04 -0.12 0.22 1.58 0.04 0.00 0.00 177.00 178.76 3dlb n HIS 256 N -1.70 -1.22 -3.96 0.56 -0.00 -0.76 -4.87 115.22 103.28 3dlb n HIS 256 Ca 0.02 -0.64 -0.21 0.00 0.46 0.00 0.00 57.72 57.35 3dlb n HIS 256 Cb 0.54 0.26 -0.17 0.00 -0.12 0.00 0.00 29.99 30.50 3dlb n HIS 256 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3dlb s LEU 257 N 0.00 1.00 0.32 0.27 1.43 -1.26 0.72 118.68 121.16 3dlb s LEU 257 Ca 0.06 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3dlb s LEU 257 Cb -0.01 -0.40 0.76 0.00 0.03 0.00 0.00 46.19 46.57 3dlb s LEU 257 CO 0.05 -0.12 1.80 0.71 0.23 0.00 0.00 176.35 179.02 3dlb h THR 258 N 6.24 0.75 -0.14 5.49 1.35 -0.99 0.16 112.91 125.76 3dlb h THR 258 Ca -0.31 -0.26 0.04 0.00 -0.55 0.00 0.00 66.41 65.33 3dlb h THR 258 Cb 1.14 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 3dlb h THR 258 CO 0.39 0.14 0.11 1.23 -0.25 0.00 0.00 175.52 177.14 3dlb h GLY 259 N 0.75 0.00 -3.06 5.82 0.00 -0.77 -1.90 103.07 103.92 3dlb h GLY 259 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3dlb h GLY 259 CO -0.32 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.26 3dlb n LEU 260 N -4.32 4.95 -4.41 3.11 4.77 0.04 -4.75 117.00 116.39 3dlb n LEU 260 Ca 0.00 -2.61 -0.25 0.00 -0.03 0.00 0.00 56.01 53.13 3dlb n LEU 260 Cb 0.24 -0.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 3dlb n LEU 260 CO 0.33 0.75 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.88 3dlb s LEU 261 N -2.15 2.47 -0.14 2.23 1.43 -0.72 -1.18 118.68 120.62 3dlb s LEU 261 Ca 0.51 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3dlb s LEU 261 Cb 0.35 -1.04 0.04 0.00 0.03 0.00 0.00 46.19 45.56 3dlb s LEU 261 CO 0.21 0.05 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 3dlb s VAL 262 N -2.00 0.87 0.34 -1.59 1.01 -0.43 0.56 120.40 119.17 3dlb s VAL 262 Ca 0.21 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3dlb s VAL 262 Cb -0.06 -1.06 -0.12 0.00 0.00 0.00 0.00 36.38 35.13 3dlb s VAL 262 CO 0.10 0.15 1.45 -0.81 0.00 0.00 0.00 175.10 175.99 3dlb n PRO 263 N 4.96 2.49 -3.04 2.72 -0.04 -1.26 -1.35 135.00 139.48 3dlb n PRO 263 Ca -0.11 0.88 -0.44 0.00 -0.04 0.00 0.00 63.50 63.79 3dlb n PRO 263 Cb 0.48 -2.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 3dlb n PRO 263 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3dlb s VAL 264 N -0.84 4.67 0.39 0.52 1.01 -0.17 -4.55 120.40 121.43 3dlb s VAL 264 Ca 0.57 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.64 3dlb s VAL 264 Cb -0.52 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.26 3dlb s VAL 264 CO 0.60 -1.16 1.02 -0.76 0.00 0.00 0.00 175.10 174.80 3dlb s LEU 265 N 3.12 4.14 0.35 3.92 1.02 -1.26 -4.54 118.68 125.43 3dlb s LEU 265 Ca 0.16 1.97 0.09 0.00 0.02 0.00 0.00 54.13 56.37 3dlb s LEU 265 Cb -0.21 -4.21 -0.06 0.00 0.02 0.00 0.00 46.19 41.74 3dlb s LEU 265 CO 0.09 -0.43 -0.02 0.28 0.02 0.00 0.00 176.35 176.29 3dlb s THR 266 N -1.71 2.43 0.31 5.49 -1.32 -1.26 -4.71 115.64 114.87 3dlb s THR 266 Ca 0.57 -2.05 -0.00 0.00 -1.21 0.00 0.00 61.69 59.01 3dlb s THR 266 Cb -0.20 -2.76 0.27 0.00 -1.51 0.00 0.00 72.50 68.30 3dlb s THR 266 CO 0.25 -0.18 1.96 0.17 -2.21 0.00 0.00 174.62 174.61 3dlb h LEU 267 N 1.87 0.89 0.69 9.08 -0.00 -2.00 -2.58 115.31 123.26 3dlb h LEU 267 Ca -0.43 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.41 3dlb h LEU 267 Cb 1.25 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.70 3dlb h LEU 267 CO 0.69 0.62 -0.39 1.05 -0.00 0.00 0.00 178.44 180.41 3dlb h GLU 268 N 1.03 -0.97 -0.95 0.17 -0.00 -1.99 -2.85 114.58 109.02 3dlb h GLU 268 Ca 0.32 0.07 0.23 0.00 -0.00 0.00 0.00 59.36 59.98 3dlb h GLU 268 Cb 0.01 0.22 -0.18 0.00 -0.00 0.00 0.00 28.75 28.80 3dlb h GLU 268 CO -0.09 -0.65 -0.09 -0.25 -0.00 0.00 0.00 179.01 177.93 3dlb n ASP 269 N -5.54 -0.21 -0.00 3.06 10.43 -0.98 -1.81 116.55 121.49 3dlb n ASP 269 Ca -0.14 1.62 -0.13 0.00 2.57 0.00 0.00 54.79 58.71 3dlb n ASP 269 Cb 0.42 -0.55 -0.10 0.00 1.84 0.00 0.00 41.12 42.74 3dlb n ASP 269 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3dlb h LEU 270 N 0.00 -0.01 0.00 0.64 3.38 -1.40 -3.48 115.31 114.43 3dlb h LEU 270 Ca 0.52 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dlb h LEU 270 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3dlb h LEU 270 CO -0.93 0.43 0.00 0.00 0.09 0.00 0.00 178.44 178.03 3dlb n HIS 271 N -4.89 0.00 0.00 1.13 1.44 -0.75 -5.16 115.22 107.00 3dlb n HIS 271 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 3dlb n HIS 271 Cb 0.23 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.34 3dlb n HIS 271 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 3dlb n GLU 272 N 5.75 0.00 -3.96 -1.40 0.00 -1.26 -4.88 120.64 114.89 3dlb n GLU 272 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 3dlb n GLU 272 Cb 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 31.44 30.73 3dlb n GLU 272 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3dlb n SER 276 N 0.00 -0.41 -2.26 -1.84 2.88 -1.26 -5.23 113.62 105.50 3dlb n SER 276 Ca 0.00 -1.02 -0.32 0.00 -1.33 0.00 0.00 58.87 56.20 3dlb n SER 276 Cb 0.00 -3.00 0.08 0.00 -0.75 0.00 0.00 64.21 60.54 3dlb n SER 276 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dlb n LEU 277 N -4.41 7.21 -4.06 2.46 4.32 -1.26 -4.93 117.00 116.33 3dlb n LEU 277 Ca -0.31 -4.28 -0.33 0.00 -0.02 0.00 0.00 56.01 51.08 3dlb n LEU 277 Cb 0.68 -0.88 -0.00 0.00 -1.62 0.00 0.00 43.42 41.60 3dlb n LEU 277 CO 0.75 1.51 0.03 0.00 -1.22 0.00 0.00 177.39 178.46 3dlb n ALA 278 N -0.92 -1.33 -3.87 -1.18 0.00 -1.26 -4.96 120.51 107.00 3dlb n ALA 278 Ca 0.60 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.81 3dlb n ALA 278 Cb 0.79 -3.82 -0.14 0.00 0.00 0.00 0.00 19.45 16.28 3dlb n ALA 278 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3dlb s LEU 279 N -7.25 3.66 -0.30 0.00 2.34 -1.26 -5.01 118.68 110.86 3dlb s LEU 279 Ca 0.65 -2.59 -0.17 0.00 0.06 0.00 0.00 54.13 52.08 3dlb s LEU 279 Cb -0.34 -1.37 0.20 0.00 -0.56 0.00 0.00 46.19 44.13 3dlb s LEU 279 CO 0.88 -0.29 1.26 -0.94 -1.06 0.00 0.00 176.35 176.20 3dlb s SER 280 N 0.34 -0.09 -0.26 1.48 1.04 -1.26 -5.12 113.70 109.83 3dlb s SER 280 Ca 0.15 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 3dlb s SER 280 Cb -0.23 1.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3dlb s SER 280 CO -0.04 -0.02 0.14 -0.76 0.98 0.00 0.00 173.24 173.54 3dlb s LEU 281 N 1.47 3.80 0.50 2.42 1.02 -1.26 -5.08 118.68 121.56 3dlb s LEU 281 Ca -0.05 -0.07 -0.20 0.00 0.02 0.00 0.00 54.13 53.83 3dlb s LEU 281 Cb -0.02 -2.04 -0.07 0.00 0.02 0.00 0.00 46.19 44.08 3dlb s LEU 281 CO -0.12 -0.03 1.10 -2.16 0.02 0.00 0.00 176.35 175.16 3dlb s PRO 282 N 1.59 3.60 0.33 1.29 0.04 -1.26 -4.72 135.00 135.88 3dlb s PRO 282 Ca 0.07 1.55 0.12 0.00 0.04 0.00 0.00 61.00 62.78 3dlb s PRO 282 Cb -0.15 -2.12 1.02 0.00 0.04 0.00 0.00 34.50 33.28 3dlb s PRO 282 CO 0.07 -0.63 1.65 2.35 0.04 0.00 0.00 177.00 180.48 3dlb h TRP 283 N 1.51 0.76 0.04 0.56 7.01 -1.80 0.60 115.95 124.63 3dlb h TRP 283 Ca -0.50 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.54 3dlb h TRP 283 Cb 1.24 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.13 3dlb h TRP 283 CO 0.54 -0.22 -0.02 1.49 -2.79 0.00 0.00 178.44 177.43 3dlb h GLU 284 N 0.26 -0.06 -0.24 2.65 4.57 -1.91 -2.21 114.58 117.64 3dlb h GLU 284 Ca 0.70 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.85 3dlb h GLU 284 Cb 1.59 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 3dlb h GLU 284 CO -0.65 0.29 -0.01 0.93 -1.18 0.00 0.00 179.01 178.39 3dlb h GLU 285 N -0.41 0.36 -0.25 1.92 3.07 -1.65 -2.78 114.58 114.84 3dlb h GLU 285 Ca -0.01 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 3dlb h GLU 285 Cb 0.37 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 3dlb h GLU 285 CO 0.01 0.40 0.01 -0.09 -1.40 0.00 0.00 179.01 177.94 3dlb h ARG 286 N 0.35 0.44 -0.20 2.33 2.43 -0.82 -2.67 114.38 116.24 3dlb h ARG 286 Ca 0.08 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dlb h ARG 286 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3dlb h ARG 286 CO 0.01 0.60 0.13 -0.09 -1.51 0.00 0.00 179.97 179.10 3dlb h ARG 287 N 0.23 0.27 -0.22 0.20 2.43 -1.15 -1.61 114.38 114.53 3dlb h ARG 287 Ca 0.07 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3dlb h ARG 287 Cb 0.39 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3dlb h ARG 287 CO 0.01 0.21 -0.12 0.07 -1.51 0.00 0.00 179.97 178.63 3dlb h ARG 288 N 0.25 0.35 -0.04 0.20 0.11 -1.54 -2.48 114.38 111.24 3dlb h ARG 288 Ca 0.07 -0.09 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 3dlb h ARG 288 Cb 0.01 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 3dlb h ARG 288 CO -0.01 0.48 -0.56 0.00 0.10 0.00 0.00 179.97 179.98 3dlb h ARG 289 N 0.33 0.13 0.00 0.08 3.08 -1.10 -1.28 114.38 115.62 3dlb h ARG 289 Ca 0.07 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3dlb h ARG 289 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3dlb h ARG 289 CO 0.02 0.65 -0.51 0.00 -1.07 0.00 0.00 179.97 179.06 3dlb h THR 290 N 0.10 1.06 -0.00 2.04 1.03 -0.86 -0.98 112.91 115.30 3dlb h THR 290 Ca -0.00 -1.99 -0.23 0.00 -0.01 0.00 0.00 66.41 64.18 3dlb h THR 290 Cb 1.01 2.18 0.00 0.00 -1.07 0.00 0.00 68.15 70.27 3dlb h THR 290 CO 0.08 0.50 -0.94 0.03 -0.01 0.00 0.00 175.52 175.18 3dlb h ARG 291 N 0.00 0.42 0.26 0.00 3.08 -1.20 -1.71 114.38 115.23 3dlb h ARG 291 Ca -0.01 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3dlb h ARG 291 Cb 1.14 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3dlb h ARG 291 CO 0.07 1.11 -0.12 1.49 -1.07 0.00 0.00 179.97 181.44 3dlb h GLU 292 N 0.23 -0.34 -0.72 0.04 4.81 -1.14 -2.16 114.58 115.32 3dlb h GLU 292 Ca -0.08 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 3dlb h GLU 292 Cb 1.58 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.97 3dlb h GLU 292 CO 0.16 0.02 0.37 0.82 -0.73 0.00 0.00 179.01 179.65 3dlb h ILE 293 N -0.78 0.87 -0.82 2.32 1.08 -1.23 -1.84 117.51 117.10 3dlb h ILE 293 Ca -0.04 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 3dlb h ILE 293 Cb 0.51 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.38 3dlb h ILE 293 CO 0.06 0.12 0.51 0.00 -0.69 0.00 0.00 178.15 178.14 3dlb h ALA 294 N 1.42 1.12 -0.62 1.87 0.00 -1.29 0.25 119.26 122.01 3dlb h ALA 294 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3dlb h ALA 294 Cb 0.34 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dlb h ALA 294 CO -0.25 0.25 0.41 0.77 0.00 0.00 0.00 179.25 180.43 3dlb h SER 295 N 0.94 0.72 0.65 0.00 0.02 -0.69 0.46 113.55 115.65 3dlb h SER 295 Ca 0.36 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3dlb h SER 295 Cb 0.15 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3dlb h SER 295 CO -0.17 0.52 -0.33 -0.25 -1.14 0.00 0.00 176.83 175.47 3dlb h TRP 296 N 0.85 -0.86 0.00 3.45 2.91 -0.41 -2.50 115.95 119.38 3dlb h TRP 296 Ca 0.23 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.23 3dlb h TRP 296 Cb -0.09 0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3dlb h TRP 296 CO -0.03 -0.53 -0.02 0.97 -1.03 0.00 0.00 178.44 177.80 3dlb h ILE 297 N -0.90 0.40 -0.61 2.65 6.09 -0.52 -1.19 117.51 123.43 3dlb h ILE 297 Ca -0.09 -0.11 -0.07 0.00 -1.37 0.00 0.00 64.86 63.22 3dlb h ILE 297 Cb 0.70 1.07 -0.02 0.00 0.47 0.00 0.00 36.82 39.03 3dlb h ILE 297 CO 0.14 0.02 0.09 1.23 -3.07 0.00 0.00 178.15 176.56 3dlb h GLY 298 N 0.20 1.09 1.38 8.18 0.00 -0.63 -0.24 103.07 113.05 3dlb h GLY 298 Ca -0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.48 3dlb h GLY 298 CO 0.00 0.68 -0.25 -0.09 0.00 0.00 0.00 176.54 176.88 3dlb h ARG 299 N 0.92 0.71 0.00 4.80 2.43 -0.78 -2.53 114.38 119.93 3dlb h ARG 299 Ca 0.18 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3dlb h ARG 299 Cb 0.43 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3dlb h ARG 299 CO 0.01 0.89 0.00 0.54 -1.51 0.00 0.00 179.97 179.90 3dlb n ARG 300 N -4.10 0.17 0.00 0.20 1.74 -1.07 -3.68 116.66 109.92 3dlb n ARG 300 Ca -0.00 0.23 -0.06 0.00 -0.77 0.00 0.00 57.85 57.24 3dlb n ARG 300 Cb 0.44 -1.74 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 3dlb n ARG 300 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dlb h LEU 301 N 0.00 0.00 1.84 0.55 3.38 -0.60 -3.49 115.31 116.98 3dlb h LEU 301 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3dlb h LEU 301 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 3dlb h LEU 301 CO 0.00 0.89 -0.54 0.61 0.09 0.00 0.00 178.44 179.49 3dlb n GLY 302 N 1.49 -0.44 1.95 0.83 0.00 -1.16 -4.90 105.19 102.96 3dlb n GLY 302 Ca -0.13 0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 3dlb n GLY 302 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dlb n LEU 303 N -3.31 4.65 0.00 0.99 4.32 -1.26 -5.08 117.00 117.31 3dlb n LEU 303 Ca -0.17 -4.62 0.00 0.00 -0.02 0.00 0.00 56.01 51.20 3dlb n LEU 303 Cb 0.65 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 3dlb n LEU 303 CO 0.36 2.02 0.00 0.61 -1.22 0.00 0.00 177.39 179.16 3dlb n GLY 304 N -0.73 -1.18 3.75 -0.72 0.00 -1.26 -1.54 105.19 103.51 3dlb n GLY 304 Ca 0.41 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 3dlb n GLY 304 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dlb s THR 305 N -1.66 4.47 -0.15 2.61 2.01 -1.26 -4.84 115.64 116.82 3dlb s THR 305 Ca 0.00 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.53 3dlb s THR 305 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3dlb s THR 305 CO 0.00 0.42 1.58 -2.84 -0.69 0.00 0.00 174.62 173.09 3dlb s PRO 306 N -0.54 3.99 -0.38 4.92 0.02 -1.26 -4.69 135.00 137.07 3dlb s PRO 306 Ca 0.40 1.85 -0.09 0.00 0.02 0.00 0.00 61.00 63.18 3dlb s PRO 306 Cb -0.23 -3.98 0.05 0.00 0.02 0.00 0.00 34.50 30.36 3dlb s PRO 306 CO 0.27 -1.05 0.19 -1.21 -0.33 0.00 0.00 177.00 174.86 3dlb s GLU 307 N 4.29 2.68 0.07 5.54 0.41 -1.15 -4.89 118.70 125.65 3dlb s GLU 307 Ca 0.70 -1.24 -0.37 0.00 -0.41 0.00 0.00 54.97 53.65 3dlb s GLU 307 Cb -0.27 -3.66 -0.17 0.00 -1.78 0.00 0.00 34.13 28.25 3dlb s GLU 307 CO 0.27 -0.77 1.30 0.00 -0.49 0.00 0.00 175.26 175.57 3dlb n ALA 308 N 4.91 -1.38 -2.57 5.21 0.00 -1.26 -1.59 120.51 123.83 3dlb n ALA 308 Ca -0.11 0.53 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 3dlb n ALA 308 Cb 0.45 -2.03 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 3dlb n ALA 308 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dlb s VAL 309 N 0.44 4.86 0.13 0.00 1.01 -0.07 -4.86 120.40 121.91 3dlb s VAL 309 Ca 0.86 1.70 0.11 0.00 0.00 0.00 0.00 61.98 64.65 3dlb s VAL 309 Cb -1.00 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.18 3dlb s VAL 309 CO 0.49 0.27 -0.27 0.00 0.00 0.00 0.00 175.10 175.59 3dlb s ARG 310 N 0.50 1.40 0.14 2.72 1.70 -1.26 -1.47 118.95 122.67 3dlb s ARG 310 Ca 0.42 -1.33 -0.04 0.00 -0.47 0.00 0.00 55.73 54.31 3dlb s ARG 310 Cb -0.20 -1.88 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 3dlb s ARG 310 CO 0.23 0.44 0.13 0.00 -1.08 0.00 0.00 175.30 175.02 3dlb s ALA 311 N -1.06 0.58 -0.24 7.88 0.00 0.29 -4.92 121.76 124.29 3dlb s ALA 311 Ca 0.14 -1.28 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 3dlb s ALA 311 Cb -0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 3dlb s ALA 311 CO 0.06 -0.54 0.64 1.14 0.00 0.00 0.00 175.76 177.06 3dlb s GLN 312 N -4.02 4.14 -0.33 0.00 1.03 -1.26 0.18 119.66 119.40 3dlb s GLN 312 Ca 0.22 0.59 -0.04 0.00 0.04 0.00 0.00 55.36 56.17 3dlb s GLN 312 Cb 0.06 -3.63 0.05 0.00 0.03 0.00 0.00 33.01 29.52 3dlb s GLN 312 CO 0.01 -0.37 0.07 0.00 -2.54 0.00 0.00 175.29 172.46 3dlb s ALA 313 N 2.37 2.95 0.06 2.60 0.00 -0.03 -4.04 121.76 125.67 3dlb s ALA 313 Ca 0.27 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 3dlb s ALA 313 Cb -0.16 -2.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 3dlb s ALA 313 CO 0.09 -1.35 0.64 0.71 0.00 0.00 0.00 175.76 175.84 3dlb s TYR 314 N 1.31 3.77 -0.51 0.00 2.02 0.54 -1.96 117.35 122.53 3dlb s TYR 314 Ca -0.02 1.33 -0.22 0.00 -0.37 0.00 0.00 57.07 57.78 3dlb s TYR 314 Cb -0.20 -2.62 0.04 0.00 -0.40 0.00 0.00 41.96 38.78 3dlb s TYR 314 CO 0.00 0.45 0.81 0.50 -1.57 0.00 0.00 175.55 175.74 3dlb s ARG 315 N -0.65 3.29 0.49 -0.62 3.52 -1.24 0.19 118.95 123.92 3dlb s ARG 315 Ca 0.32 -0.41 -0.24 0.00 -0.13 0.00 0.00 55.73 55.28 3dlb s ARG 315 Cb -0.20 -4.04 -0.07 0.00 -1.56 0.00 0.00 34.95 29.09 3dlb s ARG 315 CO 0.20 -1.31 1.36 -0.51 -0.81 0.00 0.00 175.30 174.23 3dlb s LEU 316 N 3.40 4.01 0.21 -0.88 1.43 -1.04 -4.02 118.68 121.79 3dlb s LEU 316 Ca 0.26 2.77 -0.31 0.00 -1.03 0.00 0.00 54.13 55.81 3dlb s LEU 316 Cb -0.14 -4.10 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 3dlb s LEU 316 CO 0.18 -1.28 1.62 -0.94 0.23 0.00 0.00 176.35 176.16 3dlb s SER 317 N -0.79 6.48 0.21 2.29 1.04 -1.26 -4.94 113.70 116.73 3dlb s SER 317 Ca 0.65 2.77 -0.30 0.00 0.48 0.00 0.00 55.95 59.55 3dlb s SER 317 Cb -0.40 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.02 3dlb s SER 317 CO 0.50 -0.88 1.30 -0.63 0.98 0.00 0.00 173.24 174.51 3dlb s ILE 318 N 0.87 3.21 0.19 -1.02 1.01 -1.26 -4.99 121.20 119.21 3dlb s ILE 318 Ca 0.70 1.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 3dlb s ILE 318 Cb -0.46 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 3dlb s ILE 318 CO 0.35 0.16 1.39 -2.16 0.00 0.00 0.00 174.94 174.68 3dlb s PRO 319 N -0.22 4.32 -0.87 2.79 0.04 -1.26 -4.95 135.00 134.85 3dlb s PRO 319 Ca 0.56 2.16 -0.25 0.00 0.04 0.00 0.00 61.00 63.51 3dlb s PRO 319 Cb -0.36 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.01 3dlb s PRO 319 CO 0.39 -0.38 1.58 -1.59 0.04 0.00 0.00 177.00 177.04 3dlb s LYS 320 N 0.20 3.13 0.08 4.56 0.00 -1.26 -4.95 119.74 121.49 3dlb s LYS 320 Ca 0.60 -0.50 -0.21 0.00 0.00 0.00 0.00 55.97 55.87 3dlb s LYS 320 Cb -0.39 -4.89 -0.07 0.00 0.00 0.00 0.00 37.83 32.48 3dlb s LYS 320 CO 0.37 -2.54 0.62 -0.51 0.00 0.00 0.00 175.35 173.30 3dlb s LEU 321 N 6.88 4.52 -0.28 2.77 1.02 -1.26 -1.64 118.68 130.70 3dlb s LEU 321 Ca 0.52 1.33 -0.14 0.00 0.02 0.00 0.00 54.13 55.86 3dlb s LEU 321 Cb -0.05 -2.99 0.10 0.00 0.02 0.00 0.00 46.19 43.27 3dlb s LEU 321 CO 0.02 0.22 0.66 0.00 0.02 0.00 0.00 176.35 177.27 3dlb s MET 322 N -0.92 0.65 0.00 1.70 0.23 -1.13 -1.46 119.30 118.37 3dlb s MET 322 Ca 0.31 1.29 0.00 0.00 -1.03 0.00 0.00 55.69 56.26 3dlb s MET 322 Cb -0.20 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.48 3dlb s MET 322 CO 0.20 -0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.43 3dlb n GLY 323 N 4.71 0.56 0.32 3.16 0.00 -1.26 -2.60 105.19 110.09 3dlb n GLY 323 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dlb n GLY 323 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dlb h ARG 324 N 0.00 0.81 -4.35 1.61 2.43 -0.83 -3.36 114.38 110.70 3dlb h ARG 324 Ca 0.00 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 3dlb h ARG 324 Cb 0.00 -0.16 -0.15 0.00 -0.42 0.00 0.00 29.97 29.24 3dlb h ARG 324 CO 0.00 0.62 -0.66 -0.98 -1.51 0.00 0.00 179.97 177.44 3dlb s ARG 325 N -5.49 0.80 0.33 0.20 1.70 -1.26 -4.99 118.95 110.23 3dlb s ARG 325 Ca -0.10 -1.35 -0.20 0.00 -0.47 0.00 0.00 55.73 53.62 3dlb s ARG 325 Cb 0.17 0.23 -0.14 0.00 -0.57 0.00 0.00 34.95 34.64 3dlb s ARG 325 CO 0.78 -0.20 0.13 0.00 -1.08 0.00 0.00 175.30 174.93 3dlb n ALA 326 N -0.01 -2.79 -3.14 7.88 0.00 -1.26 -4.71 120.51 116.48 3dlb n ALA 326 Ca -0.09 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 3dlb n ALA 326 Cb 0.63 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.66 3dlb n ALA 326 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dlb s VAL 327 N -1.40 0.08 -0.14 0.00 1.01 -0.53 -4.76 120.40 114.66 3dlb s VAL 327 Ca 0.53 -0.64 0.16 0.00 0.00 0.00 0.00 61.98 62.03 3dlb s VAL 327 Cb -0.60 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 3dlb s VAL 327 CO 0.55 -0.35 1.11 -1.28 0.00 0.00 0.00 175.10 175.12 3dlb h SER 328 N 4.17 0.00 -4.84 3.32 0.87 -1.94 -3.37 113.55 111.76 3dlb h SER 328 Ca -0.31 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.19 3dlb h SER 328 Cb 1.19 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.95 3dlb h SER 328 CO 0.40 0.53 0.09 -1.59 -0.53 0.00 0.00 176.83 175.73 3dlb s LYS 329 N -2.95 0.95 0.26 2.24 -2.85 -1.26 -4.97 119.74 111.15 3dlb s LYS 329 Ca 0.00 0.28 -0.11 0.00 -1.00 0.00 0.00 55.97 55.15 3dlb s LYS 329 Cb 0.08 0.45 0.38 0.00 -2.06 0.00 0.00 37.83 36.68 3dlb s LYS 329 CO 0.78 -0.27 1.57 -1.35 0.10 0.00 0.00 175.35 176.18 3dlb h PRO 330 N 3.47 -0.01 0.00 1.78 0.11 -1.92 0.48 132.00 135.91 3dlb h PRO 330 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3dlb h PRO 330 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dlb h PRO 330 CO 0.35 -0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 3dlb n ALA 331 N -3.50 1.15 0.26 -0.75 0.00 -1.26 -1.58 120.51 114.82 3dlb n ALA 331 Ca 0.13 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.89 3dlb n ALA 331 Cb 0.45 -1.32 0.60 0.00 0.00 0.00 0.00 19.45 19.19 3dlb n ALA 331 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3dlb h ASP 332 N 0.00 0.00 0.65 0.00 3.32 -0.45 -2.31 116.42 117.63 3dlb h ASP 332 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3dlb h ASP 332 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3dlb h ASP 332 CO 0.00 0.09 -0.07 0.00 -1.72 0.00 0.00 179.24 177.55 3dlb h ALA 333 N 1.91 1.08 0.00 3.45 0.00 -1.41 -1.24 119.26 123.04 3dlb h ALA 333 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dlb h ALA 333 Cb 0.59 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dlb h ALA 333 CO 0.01 0.08 -0.00 -0.07 0.00 0.00 0.00 179.25 179.27 3dlb h LEU 334 N 0.00 0.00 0.00 0.00 3.38 -1.59 0.32 115.31 117.41 3dlb h LEU 334 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dlb h LEU 334 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dlb h LEU 334 CO 0.01 0.00 -0.29 0.54 0.09 0.00 0.00 178.44 178.79 3dlb n ARG 335 N -3.09 4.19 -0.00 1.13 1.74 -0.73 -3.29 116.66 116.61 3dlb n ARG 335 Ca -0.02 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 3dlb n ARG 335 Cb 0.17 -0.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.91 3dlb n ARG 335 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dlb n VAL 336 N -0.99 0.00 0.00 1.55 0.31 -0.55 -4.90 118.33 113.75 3dlb n VAL 336 Ca 0.00 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3dlb n VAL 336 Cb 0.00 0.69 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 3dlb n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dlb n GLY 337 N 1.44 2.38 3.76 2.92 0.00 0.11 -4.56 105.19 111.24 3dlb n GLY 337 Ca 0.01 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3dlb n GLY 337 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dlb s PHE 338 N -1.45 2.51 0.13 1.61 2.99 -1.24 -0.85 117.98 121.69 3dlb s PHE 338 Ca 0.00 1.56 -0.19 0.00 0.00 0.00 0.00 56.93 58.30 3dlb s PHE 338 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 43.02 39.79 3dlb s PHE 338 CO 0.00 -1.85 1.73 -0.92 -0.00 0.00 0.00 175.22 174.17 3dlb h TYR 339 N -0.06 0.04 -2.29 0.36 3.20 -0.35 -2.98 116.97 114.89 3dlb h TYR 339 Ca -0.47 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.14 3dlb h TYR 339 Cb 1.25 0.02 -0.34 0.00 1.54 0.00 0.00 36.73 39.21 3dlb h TYR 339 CO 0.53 -0.00 -0.59 0.50 -1.64 0.00 0.00 178.16 176.96 3dlb s ARG 340 N -6.18 0.26 0.76 1.82 3.52 -0.85 -4.59 118.95 113.68 3dlb s ARG 340 Ca -0.13 0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 3dlb s ARG 340 Cb 0.10 -0.92 0.15 0.00 -1.56 0.00 0.00 34.95 32.73 3dlb s ARG 340 CO 0.69 -0.72 1.04 0.00 -0.81 0.00 0.00 175.30 175.51 3dlb s ALA 341 N 2.39 3.64 0.04 6.12 0.00 -1.26 -3.29 121.76 129.40 3dlb s ALA 341 Ca 0.09 -1.82 -0.28 0.00 0.00 0.00 0.00 51.96 49.94 3dlb s ALA 341 Cb -0.15 -1.99 0.10 0.00 0.00 0.00 0.00 23.12 21.07 3dlb s ALA 341 CO -0.17 -1.63 1.06 1.14 0.00 0.00 0.00 175.76 176.16 3dlb s GLN 342 N -5.23 0.81 0.24 0.00 -2.07 -1.26 -5.00 119.66 107.14 3dlb s GLN 342 Ca 0.68 -0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 53.51 3dlb s GLN 342 Cb -0.04 0.30 -0.11 0.00 -1.09 0.00 0.00 33.01 32.07 3dlb s GLN 342 CO 0.46 -0.37 1.60 -2.00 -1.32 0.00 0.00 175.29 173.66 3dlb s GLU 343 N -2.93 4.17 -0.03 9.60 2.12 -1.26 -4.52 118.70 125.84 3dlb s GLU 343 Ca 0.11 2.49 0.03 0.00 0.36 0.00 0.00 54.97 57.96 3dlb s GLU 343 Cb 0.00 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.32 3dlb s GLU 343 CO -0.03 -0.62 -0.10 0.99 -0.54 0.00 0.00 175.26 174.96 3dlb s THR 344 N 0.55 0.89 -0.15 -1.70 2.01 0.32 -5.01 115.64 112.54 3dlb s THR 344 Ca 0.67 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.27 3dlb s THR 344 Cb -0.46 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.27 3dlb s THR 344 CO 0.39 0.28 -0.16 0.00 -0.69 0.00 0.00 174.62 174.44 3dlb s ALA 345 N 0.26 2.00 -0.02 7.40 0.00 -1.26 -0.46 121.76 129.68 3dlb s ALA 345 Ca -0.05 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.99 3dlb s ALA 345 Cb -0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 3dlb s ALA 345 CO 0.01 -0.34 -0.21 -0.51 0.00 0.00 0.00 175.76 174.71 3dlb s LEU 346 N 1.37 2.04 -0.01 0.00 1.43 -0.67 -0.56 118.68 122.27 3dlb s LEU 346 Ca 0.04 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3dlb s LEU 346 Cb -0.13 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3dlb s LEU 346 CO -0.10 0.26 -0.23 0.00 0.23 0.00 0.00 176.35 176.50 3dlb s ALA 347 N -0.48 2.30 -0.19 4.21 0.00 -1.05 0.39 121.76 126.95 3dlb s ALA 347 Ca 0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 3dlb s ALA 347 Cb -0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3dlb s ALA 347 CO -0.01 0.54 0.05 -1.17 0.00 0.00 0.00 175.76 175.17 3dlb s LEU 348 N -0.77 3.66 -0.33 0.00 0.20 -1.13 -1.20 118.68 119.11 3dlb s LEU 348 Ca 0.11 -0.00 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 3dlb s LEU 348 Cb -0.10 -1.93 0.08 0.00 -0.43 0.00 0.00 46.19 43.81 3dlb s LEU 348 CO 0.00 0.13 0.05 -0.22 -0.29 0.00 0.00 176.35 176.03 3dlb s LEU 349 N 0.60 4.38 -0.62 -0.68 0.20 0.41 -1.24 118.68 121.72 3dlb s LEU 349 Ca 0.02 -1.64 -0.23 0.00 0.69 0.00 0.00 54.13 52.97 3dlb s LEU 349 Cb -0.13 -1.72 0.06 0.00 -0.43 0.00 0.00 46.19 43.97 3dlb s LEU 349 CO 0.02 -0.35 0.97 0.00 -0.29 0.00 0.00 176.35 176.70 3dlb s ARG 350 N 1.15 3.20 -0.02 1.98 3.03 -1.26 -1.92 118.95 125.11 3dlb s ARG 350 Ca 0.01 -0.56 0.20 0.00 2.03 0.00 0.00 55.73 57.41 3dlb s ARG 350 Cb -0.21 -4.15 0.61 0.00 -1.03 0.00 0.00 34.95 30.18 3dlb s ARG 350 CO -0.03 -1.70 1.52 -0.11 -1.13 0.00 0.00 175.30 173.84 3dlb n LEU 351 N 7.71 3.95 -0.05 -1.89 0.00 -0.18 -4.58 117.00 121.96 3dlb n LEU 351 Ca -0.01 -2.08 -0.03 0.00 0.00 0.00 0.00 56.01 53.89 3dlb n LEU 351 Cb 0.46 -0.47 -0.01 0.00 0.00 0.00 0.00 43.42 43.40 3dlb n LEU 351 CO 0.64 0.93 -0.23 0.44 0.00 0.00 0.00 177.39 179.17 3dlb h ASP 352 N 3.94 0.00 0.00 1.96 3.45 -1.91 -3.45 116.42 120.42 3dlb h ASP 352 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3dlb h ASP 352 Cb 1.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 3dlb h ASP 352 CO 0.04 0.58 0.00 0.61 -1.57 0.00 0.00 179.24 178.90 3dlb n GLY 353 N 1.67 0.00 0.00 2.75 0.00 -1.26 -5.06 105.19 103.29 3dlb n GLY 353 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3dlb n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb n ALA 354 N 0.00 0.00 -1.49 4.61 0.00 -1.26 -5.14 120.51 117.23 3dlb n ALA 354 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3dlb n ALA 354 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3dlb n ALA 354 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3dlb n GLN 355 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.02 117.38 114.10 3dlb n GLN 355 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3dlb n GLN 355 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3dlb n GLN 355 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dlb n GLY 356 N 4.25 2.94 3.68 1.08 0.00 -1.26 -4.89 105.19 110.98 3dlb n GLY 356 Ca 0.00 -2.00 -0.49 0.00 0.00 0.00 0.00 46.02 43.53 3dlb n GLY 356 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dlb n TRP 357 N 0.00 2.23 -1.98 1.61 7.02 -1.26 -4.89 117.44 120.17 3dlb n TRP 357 Ca 0.00 0.17 -0.42 0.00 -1.02 0.00 0.00 57.50 56.23 3dlb n TRP 357 Cb 0.00 -2.59 -0.03 0.00 -2.42 0.00 0.00 31.31 26.27 3dlb n TRP 357 CO 0.00 0.00 0.00 -2.14 -2.02 0.00 0.00 177.69 173.53 3dlb s PRO 358 N 3.08 4.19 0.09 -0.99 0.02 -1.26 -4.77 135.00 135.35 3dlb s PRO 358 Ca 0.90 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 64.12 3dlb s PRO 358 Cb -0.76 -3.86 0.14 0.00 0.02 0.00 0.00 34.50 30.04 3dlb s PRO 358 CO 0.50 -0.80 0.51 -1.91 -0.33 0.00 0.00 177.00 174.97 3dlb n GLU 359 N 6.62 -0.04 0.24 5.54 4.07 -1.26 0.22 120.64 136.03 3dlb n GLU 359 Ca 0.17 0.51 0.16 0.00 -0.06 0.00 0.00 57.16 57.93 3dlb n GLU 359 Cb 0.42 -0.76 0.67 0.00 -0.06 0.00 0.00 31.44 31.71 3dlb n GLU 359 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3dlb h PHE 360 N 0.00 0.00 0.21 4.31 -0.00 -2.00 -1.91 116.94 117.55 3dlb h PHE 360 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.97 57.78 3dlb h PHE 360 Cb 0.23 0.00 0.02 0.00 -0.00 0.00 0.00 35.95 36.20 3dlb h PHE 360 CO -0.26 0.00 -1.62 -0.07 -0.00 0.00 0.00 178.31 176.36 3dlb h LEU 361 N 0.00 0.68 -0.53 2.10 3.38 0.24 -3.05 115.31 118.14 3dlb h LEU 361 Ca 0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3dlb h LEU 361 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3dlb h LEU 361 CO 0.00 1.75 0.35 -0.09 0.09 0.00 0.00 178.44 180.54 3dlb h ARG 362 N 0.08 0.69 0.15 1.13 2.43 -1.23 -2.28 114.38 115.36 3dlb h ARG 362 Ca -0.31 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.82 3dlb h ARG 362 Cb 2.10 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.47 3dlb h ARG 362 CO 0.20 0.46 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.85 3dlb h ARG 363 N 0.71 -0.37 -0.54 0.20 2.43 -1.46 0.40 114.38 115.76 3dlb h ARG 363 Ca 0.19 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3dlb h ARG 363 Cb -0.08 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3dlb h ARG 363 CO -0.04 -0.25 0.36 0.00 -1.51 0.00 0.00 179.97 178.53 3dlb h ALA 364 N 0.41 0.69 0.21 2.80 0.00 -1.41 0.69 119.26 122.64 3dlb h ALA 364 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dlb h ALA 364 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dlb h ALA 364 CO -0.07 0.12 -0.10 -0.07 0.00 0.00 0.00 179.25 179.13 3dlb h LEU 365 N 0.73 -0.24 -1.46 0.00 3.38 -1.28 0.51 115.31 116.94 3dlb h LEU 365 Ca 0.20 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3dlb h LEU 365 Cb -0.08 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3dlb h LEU 365 CO -0.05 -0.04 0.44 -0.07 0.09 0.00 0.00 178.44 178.81 3dlb h LEU 366 N -0.42 0.57 0.18 1.67 3.38 -0.71 -0.43 115.31 119.56 3dlb h LEU 366 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 3dlb h LEU 366 Cb 0.32 -0.12 0.03 0.00 0.09 0.00 0.00 40.66 40.99 3dlb h LEU 366 CO 0.05 0.37 -1.36 -0.09 0.09 0.00 0.00 178.44 177.49 3dlb h ARG 367 N 0.65 0.54 -0.05 1.13 2.43 -0.67 -2.16 114.38 116.25 3dlb h ARG 367 Ca 0.29 -0.83 0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3dlb h ARG 367 Cb 0.30 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 3dlb h ARG 367 CO -0.09 1.39 -0.01 0.00 -1.51 0.00 0.00 179.97 179.75 3dlb h ALA 368 N 0.27 0.03 -0.03 2.80 0.00 0.10 -0.76 119.26 121.67 3dlb h ALA 368 Ca -0.22 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3dlb h ALA 368 Cb 2.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3dlb h ALA 368 CO 0.25 -0.49 -0.38 0.74 0.00 0.00 0.00 179.25 179.37 3dlb h PHE 369 N 0.00 0.06 -0.57 0.00 -1.00 -1.21 -2.16 116.94 112.07 3dlb h PHE 369 Ca 0.02 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 3dlb h PHE 369 Cb 0.03 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 3dlb h PHE 369 CO -0.11 0.43 0.28 0.78 -1.61 0.00 0.00 178.31 178.08 3dlb h GLY 370 N 1.16 0.87 2.00 -1.45 0.00 -0.82 0.35 103.07 105.19 3dlb h GLY 370 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3dlb h GLY 370 CO 0.05 0.41 -0.07 0.00 0.00 0.00 0.00 176.54 176.93 3dlb h ALA 371 N 1.11 1.03 0.00 3.60 0.00 -0.69 -2.57 119.26 121.75 3dlb h ALA 371 Ca 0.20 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3dlb h ALA 371 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3dlb h ALA 371 CO -0.03 0.08 -1.50 0.43 0.00 0.00 0.00 179.25 178.24 3dlb n SER 372 N -3.22 0.76 -1.27 0.00 7.64 -0.78 -4.52 113.62 112.24 3dlb n SER 372 Ca -0.00 0.34 -0.02 0.00 1.01 0.00 0.00 58.87 60.20 3dlb n SER 372 Cb 0.31 0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.83 3dlb n SER 372 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dlb n GLY 373 N 1.41 0.37 3.04 0.23 0.00 0.12 -4.95 105.19 105.40 3dlb n GLY 373 Ca -0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 3dlb n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb s ALA 374 N -3.04 0.30 0.10 4.61 0.00 -0.93 -5.02 121.76 117.78 3dlb s ALA 374 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 3dlb s ALA 374 Cb -0.00 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.27 3dlb s ALA 374 CO 0.08 -0.27 0.95 -1.12 0.00 0.00 0.00 175.76 175.40 3dlb s SER 375 N -2.18 7.47 0.01 0.00 0.01 -1.26 -4.63 113.70 113.13 3dlb s SER 375 Ca -0.05 1.76 0.03 0.00 1.31 0.00 0.00 55.95 58.99 3dlb s SER 375 Cb -0.01 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 3dlb s SER 375 CO -0.05 -0.07 -0.08 -0.22 0.41 0.00 0.00 173.24 173.22 3dlb s LEU 376 N 0.06 2.10 -0.10 2.44 2.96 -1.26 -0.52 118.68 124.35 3dlb s LEU 376 Ca 0.46 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 3dlb s LEU 376 Cb -0.23 -0.35 0.01 0.00 0.50 0.00 0.00 46.19 46.12 3dlb s LEU 376 CO 0.29 0.00 -0.18 -0.13 -1.32 0.00 0.00 176.35 175.02 3dlb s ARG 377 N -0.70 2.43 -0.93 1.98 0.52 0.40 -4.96 118.95 117.68 3dlb s ARG 377 Ca -0.01 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.47 3dlb s ARG 377 Cb -0.05 -1.97 0.24 0.00 0.52 0.00 0.00 34.95 33.68 3dlb s ARG 377 CO 0.00 0.02 0.87 -0.51 0.02 0.00 0.00 175.30 175.70 3dlb s LEU 378 N 0.76 6.22 1.09 2.53 1.02 -1.26 -1.67 118.68 127.36 3dlb s LEU 378 Ca -0.11 -3.25 -0.16 0.00 0.02 0.00 0.00 54.13 50.63 3dlb s LEU 378 Cb -0.16 -2.12 0.23 0.00 0.02 0.00 0.00 46.19 44.17 3dlb s LEU 378 CO 0.02 -0.37 1.14 -1.00 0.02 0.00 0.00 176.35 176.16 3dlb s HIS 379 N -0.69 1.28 -0.18 0.29 3.76 0.16 -4.96 115.29 114.95 3dlb s HIS 379 Ca 0.24 0.63 -0.07 0.00 -0.15 0.00 0.00 55.06 55.72 3dlb s HIS 379 Cb -0.11 -3.49 0.08 0.00 1.11 0.00 0.00 32.58 30.18 3dlb s HIS 379 CO -0.09 -3.30 0.39 0.99 -0.85 0.00 0.00 174.74 171.89 3dlb s THR 380 N -3.15 -0.50 -0.63 1.30 2.01 -1.26 -2.83 115.64 110.59 3dlb s THR 380 Ca 0.69 0.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.59 3dlb s THR 380 Cb -0.12 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.81 3dlb s THR 380 CO 0.56 0.07 1.16 -0.76 -0.69 0.00 0.00 174.62 174.95 3dlb s LEU 381 N 2.35 3.55 -0.08 4.42 1.43 -0.37 -4.82 118.68 125.16 3dlb s LEU 381 Ca -0.03 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3dlb s LEU 381 Cb -0.11 -2.88 0.13 0.00 0.03 0.00 0.00 46.19 43.36 3dlb s LEU 381 CO -0.12 -1.53 1.10 1.41 0.23 0.00 0.00 176.35 177.44 3dlb n HIS 382 N 8.48 0.55 -3.76 0.29 8.25 -1.26 -4.69 115.22 123.08 3dlb n HIS 382 Ca 0.05 -0.65 -0.37 0.00 -0.26 0.00 0.00 57.72 56.48 3dlb n HIS 382 Cb 0.48 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 3dlb n HIS 382 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dlb s ALA 383 N -0.73 3.82 1.43 -1.41 0.00 -1.26 -5.08 121.76 118.52 3dlb s ALA 383 Ca 0.11 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 3dlb s ALA 383 Cb 0.09 -2.11 0.37 0.00 0.00 0.00 0.00 23.12 21.47 3dlb s ALA 383 CO 0.02 0.56 0.94 -1.01 0.00 0.00 0.00 175.76 176.27 3dlb s HIS 384 N -0.98 -0.72 1.15 0.00 3.76 -1.26 -4.95 115.29 112.29 3dlb s HIS 384 Ca 0.17 0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 55.43 3dlb s HIS 384 Cb -0.13 -2.94 0.27 0.00 1.11 0.00 0.00 32.58 30.89 3dlb s HIS 384 CO 0.07 -5.00 0.61 -2.30 -0.85 0.00 0.00 174.74 167.26 3dlb n PRO 385 N -5.63 -3.07 -1.03 8.40 -0.02 -1.26 -4.47 135.00 127.92 3dlb n PRO 385 Ca 0.14 -1.02 -0.34 0.00 -2.02 0.00 0.00 63.50 60.25 3dlb n PRO 385 Cb 0.60 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 32.41 3dlb n PRO 385 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dlb n SER 386 N -3.57 1.44 -3.68 2.55 2.88 -1.26 -4.70 113.62 107.28 3dlb n SER 386 Ca 0.10 -2.53 -0.28 0.00 -1.33 0.00 0.00 58.87 54.82 3dlb n SER 386 Cb 0.42 -1.05 -0.12 0.00 -0.75 0.00 0.00 64.21 62.71 3dlb n SER 386 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dlb s GLN 387 N 7.21 1.56 0.00 -1.46 -0.21 -1.26 -5.06 119.66 120.44 3dlb s GLN 387 Ca 0.72 -2.48 0.00 0.00 0.02 0.00 0.00 55.36 53.61 3dlb s GLN 387 Cb 0.08 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.67 3dlb s GLN 387 CO 0.26 -1.27 0.00 0.41 -2.12 0.00 0.00 175.29 172.57 3dlb n GLY 388 N 2.81 3.68 0.12 3.09 0.00 -1.26 -4.63 105.19 108.99 3dlb n GLY 388 Ca 0.19 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.52 3dlb n GLY 388 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dlb n LEU 389 N 0.00 0.65 -0.24 0.99 7.99 -1.26 -1.88 117.00 123.26 3dlb n LEU 389 Ca 0.00 0.64 -0.03 0.00 -0.01 0.00 0.00 56.01 56.61 3dlb n LEU 389 Cb 0.00 -0.54 0.14 0.00 -0.11 0.00 0.00 43.42 42.92 3dlb n LEU 389 CO 0.00 -0.49 1.09 0.00 -1.51 0.00 0.00 177.39 176.48 3dlb h ALA 390 N 2.32 1.20 0.11 -1.18 0.00 -1.99 -1.13 119.26 118.59 3dlb h ALA 390 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dlb h ALA 390 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dlb h ALA 390 CO 0.00 0.60 -0.05 0.35 0.00 0.00 0.00 179.25 180.14 3dlb h PHE 391 N 1.05 -0.14 -0.91 0.00 3.57 -1.63 0.41 116.94 119.29 3dlb h PHE 391 Ca 0.25 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.97 3dlb h PHE 391 Cb 0.13 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3dlb h PHE 391 CO 0.01 -0.04 0.61 -0.09 -2.23 0.00 0.00 178.31 176.58 3dlb h ARG 392 N -0.21 0.30 -0.04 1.11 9.65 -1.48 -1.17 114.38 122.54 3dlb h ARG 392 Ca -0.02 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 3dlb h ARG 392 Cb 0.17 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 3dlb h ARG 392 CO 0.03 0.20 -0.29 1.49 2.80 0.00 0.00 179.97 184.19 3dlb h GLU 393 N 0.31 0.26 -0.37 0.20 4.57 0.19 -2.33 114.58 117.40 3dlb h GLU 393 Ca 0.47 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 3dlb h GLU 393 Cb 1.33 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 3dlb h GLU 393 CO -0.15 0.90 0.25 0.00 -1.18 0.00 0.00 179.01 178.83 3dlb h ALA 394 N 0.36 1.91 0.00 2.92 0.00 0.87 -1.32 119.26 124.01 3dlb h ALA 394 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dlb h ALA 394 Cb 0.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3dlb h ALA 394 CO 0.06 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.27 3dlb h LEU 395 N 0.35 -0.00 -0.75 0.00 3.38 -1.27 -2.01 115.31 115.00 3dlb h LEU 395 Ca 0.16 -0.59 0.09 0.00 0.09 0.00 0.00 57.88 57.62 3dlb h LEU 395 Cb 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3dlb h LEU 395 CO -0.03 0.59 0.40 -0.09 0.09 0.00 0.00 178.44 179.39 3dlb h ARG 396 N -0.60 0.66 -0.02 1.13 2.43 -1.00 -1.03 114.38 115.96 3dlb h ARG 396 Ca -0.00 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3dlb h ARG 396 Cb 0.59 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3dlb h ARG 396 CO 0.00 0.43 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.64 3dlb h LYS 397 N 0.68 -0.04 -0.97 0.20 3.64 -1.26 -1.58 116.57 117.24 3dlb h LYS 397 Ca 0.36 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 3dlb h LYS 397 Cb 0.35 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.11 3dlb h LYS 397 CO -0.25 -0.03 0.62 0.00 -2.27 0.00 0.00 179.45 177.51 3dlb h ALA 398 N 0.97 1.35 -0.08 5.00 0.00 -0.51 0.93 119.26 126.92 3dlb h ALA 398 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3dlb h ALA 398 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dlb h ALA 398 CO -0.05 0.38 -0.66 -0.22 0.00 0.00 0.00 179.25 178.70 3dlb h LYS 399 N 1.10 0.34 -0.45 0.00 3.11 -1.04 -0.13 116.57 119.50 3dlb h LYS 399 Ca 0.42 -0.25 -0.14 0.00 -2.81 0.00 0.00 60.65 57.87 3dlb h LYS 399 Cb 0.20 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 3dlb h LYS 399 CO -0.18 0.88 -0.26 1.49 -2.81 0.00 0.00 179.45 178.56 3dlb h GLU 400 N 0.24 0.98 0.00 1.90 4.81 -0.58 -2.17 114.58 119.76 3dlb h GLU 400 Ca -0.02 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3dlb h GLU 400 Cb 1.21 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3dlb h GLU 400 CO 0.11 1.11 0.00 0.39 -0.73 0.00 0.00 179.01 179.89 3dlb n GLU 401 N -4.09 0.68 0.00 1.92 1.02 0.26 -4.87 120.64 115.56 3dlb n GLU 401 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3dlb n GLU 401 Cb 0.48 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 3dlb n GLU 401 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dlb n GLY 402 N 0.31 0.69 3.76 0.62 0.00 -0.81 -5.05 105.19 104.71 3dlb n GLY 402 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3dlb n GLY 402 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dlb s VAL 403 N -2.00 2.53 -0.11 1.61 1.01 -0.08 -4.40 120.40 118.96 3dlb s VAL 403 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3dlb s VAL 403 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 3dlb s VAL 403 CO 0.00 0.03 0.10 0.00 0.00 0.00 0.00 175.10 175.23 3dlb n GLN 404 N -0.35 6.22 -3.59 2.72 6.02 0.27 -4.62 117.38 124.05 3dlb n GLN 404 Ca 0.06 -0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.99 3dlb n GLN 404 Cb 0.45 -0.61 -0.04 0.00 1.02 0.00 0.00 30.24 31.06 3dlb n GLN 404 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dlb s ALA 405 N -1.22 -2.00 -0.01 -1.58 0.00 -1.24 -4.10 121.76 111.61 3dlb s ALA 405 Ca 0.01 1.61 0.07 0.00 0.00 0.00 0.00 51.96 53.66 3dlb s ALA 405 Cb 0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3dlb s ALA 405 CO 0.09 -0.40 -0.24 0.08 0.00 0.00 0.00 175.76 175.30 3dlb s VAL 406 N -1.61 1.89 -0.27 0.00 1.01 -0.77 -2.52 120.40 118.13 3dlb s VAL 406 Ca 0.04 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 3dlb s VAL 406 Cb -0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3dlb s VAL 406 CO -0.04 0.51 0.14 -0.22 0.00 0.00 0.00 175.10 175.50 3dlb s LEU 407 N -0.63 3.80 -0.33 3.92 2.96 -0.34 -2.24 118.68 125.82 3dlb s LEU 407 Ca 0.09 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 3dlb s LEU 407 Cb -0.09 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.57 3dlb s LEU 407 CO -0.01 -0.04 0.15 -0.69 -1.32 0.00 0.00 176.35 174.44 3dlb s VAL 408 N 1.70 4.38 -0.52 1.68 1.01 -0.47 -0.45 120.40 127.73 3dlb s VAL 408 Ca 0.07 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3dlb s VAL 408 Cb -0.16 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 32.96 3dlb s VAL 408 CO 0.08 -0.06 0.59 -0.76 0.00 0.00 0.00 175.10 174.94 3dlb s LEU 409 N 1.55 5.24 -0.02 3.92 1.43 -0.81 -1.28 118.68 128.70 3dlb s LEU 409 Ca 0.03 -1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 51.89 3dlb s LEU 409 Cb -0.18 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3dlb s LEU 409 CO 0.05 -0.88 0.22 0.28 0.23 0.00 0.00 176.35 176.25 3dlb s THR 410 N 2.39 0.06 0.85 5.49 -1.32 -1.06 -1.01 115.64 121.03 3dlb s THR 410 Ca 0.12 -0.46 -0.12 0.00 -1.21 0.00 0.00 61.69 60.01 3dlb s THR 410 Cb -0.22 -0.47 0.11 0.00 -1.51 0.00 0.00 72.50 70.41 3dlb s THR 410 CO 0.09 -0.25 1.19 -2.84 -2.21 0.00 0.00 174.62 170.60 3dlb s PRO 411 N -1.02 1.39 0.17 7.08 0.02 -1.26 -1.35 135.00 140.04 3dlb s PRO 411 Ca -0.11 1.70 -0.33 0.00 0.02 0.00 0.00 61.00 62.29 3dlb s PRO 411 Cb -0.05 -1.75 -0.16 0.00 0.02 0.00 0.00 34.50 32.55 3dlb s PRO 411 CO 0.02 -2.38 1.11 -2.30 -0.33 0.00 0.00 177.00 173.11 3dlb n PRO 412 N -3.63 1.02 -4.24 5.54 -0.02 -1.26 -4.81 135.00 127.61 3dlb n PRO 412 Ca 0.13 0.36 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 3dlb n PRO 412 Cb 0.51 -1.82 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 3dlb n PRO 412 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3dlb s MET 413 N -0.47 2.25 0.57 -0.52 -1.94 -1.26 -5.10 119.30 112.83 3dlb s MET 413 Ca 0.73 -1.17 -0.19 0.00 -1.71 0.00 0.00 55.69 53.35 3dlb s MET 413 Cb -0.87 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.65 3dlb s MET 413 CO 0.53 0.45 1.16 0.00 -0.01 0.00 0.00 175.02 177.15 3dlb s ALA 414 N -1.69 2.62 -1.37 3.03 0.00 -1.26 -4.81 121.76 118.28 3dlb s ALA 414 Ca 0.26 0.89 0.15 0.00 0.00 0.00 0.00 51.96 53.26 3dlb s ALA 414 Cb -0.09 -3.40 0.76 0.00 0.00 0.00 0.00 23.12 20.39 3dlb s ALA 414 CO 0.17 -0.96 1.44 -2.67 0.00 0.00 0.00 175.76 173.74 3dlb n TRP 415 N -1.48 0.00 -0.07 0.00 4.27 -1.26 -1.51 117.44 117.40 3dlb n TRP 415 Ca 0.12 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.61 3dlb n TRP 415 Cb 0.50 -0.32 -0.11 0.00 -1.36 0.00 0.00 31.31 30.03 3dlb n TRP 415 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 3dlb h GLU 416 N 0.00 -0.00 0.00 -2.67 5.08 -1.99 -2.69 114.58 112.30 3dlb h GLU 416 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dlb h GLU 416 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dlb h GLU 416 CO 0.00 0.87 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.43 3dlb h ASP 417 N -1.00 0.00 -0.01 1.42 5.19 -1.78 -0.37 116.42 119.88 3dlb h ASP 417 Ca -0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 3dlb h ASP 417 Cb 0.87 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.40 3dlb h ASP 417 CO 0.00 0.01 -0.76 -0.09 -3.12 0.00 0.00 179.24 175.28 3dlb h ARG 418 N 0.00 0.53 0.00 3.56 2.43 -1.31 -2.47 114.38 117.12 3dlb h ARG 418 Ca -0.00 -0.56 -0.11 0.00 -0.81 0.00 0.00 59.98 58.50 3dlb h ARG 418 Cb 0.04 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 3dlb h ARG 418 CO 0.00 1.19 -0.53 -0.91 -1.51 0.00 0.00 179.97 178.21 3dlb h ASN 419 N 0.09 0.00 0.67 -3.80 4.21 -1.03 -2.49 115.58 113.22 3dlb h ASN 419 Ca -0.09 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.38 3dlb h ASN 419 Cb 1.45 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.66 3dlb h ASN 419 CO 0.15 0.53 -0.32 -0.09 -1.29 0.00 0.00 177.43 176.41 3dlb h ARG 420 N 0.00 -0.87 -0.55 0.81 2.43 -1.08 -1.80 114.38 113.32 3dlb h ARG 420 Ca -0.01 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 3dlb h ARG 420 Cb 1.10 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 30.76 3dlb h ARG 420 CO 0.07 -0.56 -0.01 1.25 -1.51 0.00 0.00 179.97 179.21 3dlb h LEU 421 N -1.19 -0.26 -2.03 3.80 5.85 -1.48 0.47 115.31 120.47 3dlb h LEU 421 Ca -0.09 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3dlb h LEU 421 Cb 0.71 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3dlb h LEU 421 CO 0.15 -0.10 0.04 0.11 -0.34 0.00 0.00 178.44 178.31 3dlb h LYS 422 N 0.11 0.00 -0.18 1.25 1.57 -1.46 -1.50 116.57 116.36 3dlb h LYS 422 Ca 0.28 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.87 3dlb h LYS 422 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3dlb h LYS 422 CO -0.47 0.00 -0.64 0.00 -0.57 0.00 0.00 179.45 177.76 3dlb h ALA 423 N 1.97 0.31 0.48 3.86 0.00 0.77 -2.02 119.26 124.64 3dlb h ALA 423 Ca 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3dlb h ALA 423 Cb 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dlb h ALA 423 CO -0.00 0.59 -0.27 1.25 0.00 0.00 0.00 179.25 180.82 3dlb h LEU 424 N 0.46 -0.66 0.23 0.00 5.85 -0.04 -2.76 115.31 118.39 3dlb h LEU 424 Ca -0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dlb h LEU 424 Cb 1.27 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 3dlb h LEU 424 CO 0.14 -0.44 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.55 3dlb h LEU 425 N -0.70 -0.47 -2.41 2.25 3.38 -1.46 -2.37 115.31 113.52 3dlb h LEU 425 Ca -0.06 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dlb h LEU 425 Cb 0.56 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dlb h LEU 425 CO 0.08 -0.28 0.19 0.25 0.09 0.00 0.00 178.44 178.77 3dlb h LEU 426 N -0.42 0.00 0.40 1.67 5.85 -1.36 0.39 115.31 121.84 3dlb h LEU 426 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3dlb h LEU 426 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3dlb h LEU 426 CO -0.01 0.00 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.81 3dlb h ARG 427 N 0.00 -0.52 0.00 1.25 9.65 -1.11 -1.59 114.38 122.06 3dlb h ARG 427 Ca 0.02 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3dlb h ARG 427 Cb 0.39 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 3dlb h ARG 427 CO -0.00 -0.32 0.00 0.39 2.80 0.00 0.00 179.97 182.84 3dlb n GLU 428 N -5.30 0.86 -0.86 0.20 -0.58 -0.02 -4.86 120.64 110.08 3dlb n GLU 428 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 3dlb n GLU 428 Cb 0.24 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 3dlb n GLU 428 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dlb n GLY 429 N 0.46 0.51 3.28 0.62 0.00 -0.60 -4.89 105.19 104.57 3dlb n GLY 429 Ca 0.06 -0.50 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 3dlb n GLY 429 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlb s LEU 430 N 0.00 6.10 1.17 0.99 1.43 -0.34 -4.92 118.68 123.10 3dlb s LEU 430 Ca 0.00 -1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 50.95 3dlb s LEU 430 Cb 0.00 -2.14 0.20 0.00 0.03 0.00 0.00 46.19 44.27 3dlb s LEU 430 CO 0.00 -0.76 0.42 -2.65 0.23 0.00 0.00 176.35 173.59 3dlb n PRO 431 N 4.93 -2.18 -3.62 1.29 -0.02 -1.26 -3.35 135.00 130.79 3dlb n PRO 431 Ca -0.08 -0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 60.67 3dlb n PRO 431 Cb 0.41 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 3dlb n PRO 431 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dlb s SER 432 N -2.09 -0.28 -0.08 2.55 1.04 -1.26 -1.85 113.70 111.74 3dlb s SER 432 Ca 0.61 -0.23 -0.03 0.00 0.48 0.00 0.00 55.95 56.78 3dlb s SER 432 Cb -0.17 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.47 3dlb s SER 432 CO 0.65 -0.83 0.16 -1.58 0.98 0.00 0.00 173.24 172.61 3dlb s GLN 433 N -3.57 0.07 0.21 4.02 2.00 -0.95 -4.90 119.66 116.55 3dlb s GLN 433 Ca 0.01 0.47 -0.14 0.00 -2.00 0.00 0.00 55.36 53.70 3dlb s GLN 433 Cb 0.01 -0.21 -0.08 0.00 0.80 0.00 0.00 33.01 33.53 3dlb s GLN 433 CO -0.10 -0.23 0.61 0.42 -0.50 0.00 0.00 175.29 175.49 3dlb s ILE 434 N 1.68 4.80 -0.28 -2.34 -1.09 -1.26 -1.37 121.20 121.34 3dlb s ILE 434 Ca -0.04 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 3dlb s ILE 434 Cb -0.12 -3.70 0.15 0.00 -1.58 0.00 0.00 42.46 37.21 3dlb s ILE 434 CO -0.06 0.07 0.37 -0.22 -1.23 0.00 0.00 174.94 173.87 3dlb s LEU 435 N -2.39 -0.61 0.19 2.97 0.20 -0.41 -4.92 118.68 113.71 3dlb s LEU 435 Ca 0.44 -0.31 -0.33 0.00 0.69 0.00 0.00 54.13 54.63 3dlb s LEU 435 Cb -0.13 0.96 -0.13 0.00 -0.43 0.00 0.00 46.19 46.45 3dlb s LEU 435 CO 0.20 -0.35 1.64 0.59 -0.29 0.00 0.00 176.35 178.14 3dlb n ASN 436 N 5.35 3.52 -0.30 3.68 3.02 -1.25 -2.57 115.26 126.71 3dlb n ASN 436 Ca -0.01 1.08 0.08 0.00 -0.03 0.00 0.00 54.58 55.69 3dlb n ASN 436 Cb 0.49 -1.50 0.19 0.00 -0.61 0.00 0.00 39.78 38.35 3dlb n ASN 436 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3dlb h VAL 437 N 3.67 0.20 -0.99 2.41 3.04 -1.53 -3.39 116.25 119.67 3dlb h VAL 437 Ca -0.44 -0.02 -0.25 0.00 -1.01 0.00 0.00 66.70 64.98 3dlb h VAL 437 Cb 1.23 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3dlb h VAL 437 CO 0.91 0.01 0.79 -2.84 -1.01 0.00 0.00 177.57 175.43 3dlb s PRO 438 N -6.11 1.99 -0.04 4.17 0.02 -1.26 -4.85 135.00 128.92 3dlb s PRO 438 Ca -0.14 0.71 0.04 0.00 0.02 0.00 0.00 61.00 61.63 3dlb s PRO 438 Cb 0.25 -4.71 -0.00 0.00 0.02 0.00 0.00 34.50 30.05 3dlb s PRO 438 CO 0.76 -3.75 -0.16 -1.17 -0.33 0.00 0.00 177.00 172.35 3dlb s LEU 439 N 12.77 1.90 -0.02 -5.54 2.96 -1.26 -5.13 118.68 124.36 3dlb s LEU 439 Ca 0.89 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 3dlb s LEU 439 Cb -0.13 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.65 3dlb s LEU 439 CO 0.14 0.14 -0.13 -0.13 -1.32 0.00 0.00 176.35 175.05 3dlb s ARG 440 N 0.03 1.13 0.04 1.98 0.52 -1.26 -5.06 118.95 116.32 3dlb s ARG 440 Ca -0.03 -0.47 -0.07 0.00 -0.52 0.00 0.00 55.73 54.64 3dlb s ARG 440 Cb -0.11 -1.07 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 3dlb s ARG 440 CO 0.02 0.26 0.56 0.39 0.02 0.00 0.00 175.30 176.55 3dlb n GLU 441 N 2.85 -0.11 -0.27 3.54 -0.58 -1.26 -1.08 120.64 123.74 3dlb n GLU 441 Ca -0.15 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 3dlb n GLU 441 Cb 0.55 -0.82 0.00 0.00 -0.57 0.00 0.00 31.44 30.60 3dlb n GLU 441 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dlb n GLU 442 N -3.61 0.66 -1.60 3.49 -0.58 -1.26 -3.96 120.64 113.78 3dlb n GLU 442 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 3dlb n GLU 442 Cb 0.06 -1.17 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 3dlb n GLU 442 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3dlb n GLU 443 N 1.47 3.02 -0.26 3.49 1.02 -0.24 -4.90 120.64 124.24 3dlb n GLU 443 Ca 0.00 -3.82 0.24 0.00 -0.02 0.00 0.00 57.16 53.57 3dlb n GLU 443 Cb 0.33 -2.15 0.43 0.00 -0.02 0.00 0.00 31.44 30.03 3dlb n GLU 443 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3dlb n ARG 444 N -0.84 -0.04 0.02 3.49 -4.01 -1.25 -2.09 116.66 111.94 3dlb n ARG 444 Ca 0.43 0.92 -0.13 0.00 -1.04 0.00 0.00 57.85 58.03 3dlb n ARG 444 Cb 0.90 -1.70 -0.09 0.00 -3.04 0.00 0.00 32.46 28.53 3dlb n ARG 444 CO 0.00 0.00 0.00 1.25 -3.04 0.00 0.00 177.63 175.84 3dlb h HIS 445 N 0.00 -0.04 0.44 2.89 -0.00 -1.96 -2.75 115.15 113.73 3dlb h HIS 445 Ca 0.59 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.94 3dlb h HIS 445 Cb 1.69 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.12 3dlb h HIS 445 CO -0.01 0.28 -0.21 -0.09 -0.00 0.00 0.00 177.93 177.90 3dlb h ARG 446 N -0.36 -0.57 -0.02 5.26 2.43 -1.86 -3.15 114.38 116.11 3dlb h ARG 446 Ca -0.00 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3dlb h ARG 446 Cb 0.33 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3dlb h ARG 446 CO 0.01 -0.28 -0.41 0.11 -1.51 0.00 0.00 179.97 177.89 3dlb h TRP 447 N -0.83 0.05 -0.34 2.20 5.08 -1.70 -1.31 115.95 119.11 3dlb h TRP 447 Ca -0.06 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.84 3dlb h TRP 447 Cb 0.56 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 26.69 3dlb h TRP 447 CO 0.00 0.45 -0.01 0.93 -1.28 0.00 0.00 178.44 178.52 3dlb h GLU 448 N 0.04 0.53 -0.02 0.12 5.08 -1.56 -0.25 114.58 118.52 3dlb h GLU 448 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 3dlb h GLU 448 Cb 0.74 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3dlb h GLU 448 CO 0.05 0.57 -0.26 -0.91 -1.00 0.00 0.00 179.01 177.47 3dlb h ASN 449 N 0.51 0.25 -0.81 1.42 4.21 -1.44 -2.45 115.58 117.27 3dlb h ASN 449 Ca 0.11 -0.73 0.17 0.00 1.21 0.00 0.00 56.30 57.05 3dlb h ASN 449 Cb 0.35 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 37.37 3dlb h ASN 449 CO 0.01 0.95 0.32 0.00 -1.29 0.00 0.00 177.43 177.43 3dlb h ALA 450 N 0.31 1.19 -0.21 -0.83 0.00 -0.95 0.72 119.26 119.48 3dlb h ALA 450 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3dlb h ALA 450 Cb 0.98 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3dlb h ALA 450 CO 0.05 -0.26 -0.02 -0.07 0.00 0.00 0.00 179.25 178.95 3dlb h LEU 451 N 0.42 0.28 -0.41 0.00 4.07 -1.03 -1.62 115.31 117.02 3dlb h LEU 451 Ca 0.47 -0.04 -0.17 0.00 0.08 0.00 0.00 57.88 58.21 3dlb h LEU 451 Cb 0.79 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 3dlb h LEU 451 CO -0.46 0.35 -0.56 -0.07 -1.08 0.00 0.00 178.44 176.62 3dlb h LEU 452 N 0.30 0.77 -0.46 1.67 3.38 0.88 -2.40 115.31 119.46 3dlb h LEU 452 Ca 0.07 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3dlb h LEU 452 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3dlb h LEU 452 CO 0.01 1.17 -0.14 1.23 0.09 0.00 0.00 178.44 180.80 3dlb h GLY 453 N 0.90 0.98 0.72 0.83 0.00 -0.59 0.10 103.07 106.01 3dlb h GLY 453 Ca 0.01 -0.83 0.04 0.00 0.00 0.00 0.00 47.33 46.55 3dlb h GLY 453 CO 0.11 0.75 0.22 -2.00 0.00 0.00 0.00 176.54 175.63 3dlb h LEU 454 N 0.74 0.30 -0.22 3.11 7.12 -1.31 -0.25 115.31 124.81 3dlb h LEU 454 Ca 0.11 0.03 -0.16 0.00 0.13 0.00 0.00 57.88 58.00 3dlb h LEU 454 Cb 0.70 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 3dlb h LEU 454 CO 0.05 0.21 -0.47 -0.07 -0.13 0.00 0.00 178.44 178.03 3dlb h LEU 455 N 0.43 0.79 -1.14 2.25 3.38 -1.20 -0.78 115.31 119.04 3dlb h LEU 455 Ca 0.20 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3dlb h LEU 455 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3dlb h LEU 455 CO -0.16 1.20 0.58 0.00 0.09 0.00 0.00 178.44 180.16 3dlb h ALA 456 N 0.61 1.38 -0.07 1.53 0.00 -0.60 -1.05 119.26 121.07 3dlb h ALA 456 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3dlb h ALA 456 Cb 1.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3dlb h ALA 456 CO 0.10 0.57 -0.64 0.87 0.00 0.00 0.00 179.25 180.16 3dlb h LYS 457 N 1.18 0.25 0.00 0.00 1.57 -0.92 -2.90 116.57 115.76 3dlb h LYS 457 Ca 0.32 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3dlb h LYS 457 Cb -0.12 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3dlb h LYS 457 CO -0.07 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 3dlb n ALA 458 N -2.47 1.79 -0.32 3.86 0.00 -0.31 -4.72 120.51 118.34 3dlb n ALA 458 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3dlb n ALA 458 Cb 0.64 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3dlb n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlb n GLY 459 N -0.44 0.75 3.66 0.00 0.00 -1.09 -4.91 105.19 103.15 3dlb n GLY 459 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dlb n GLY 459 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dlb s LEU 460 N 0.00 4.13 -1.14 0.99 2.96 -0.48 -5.01 118.68 120.13 3dlb s LEU 460 Ca 0.00 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.33 3dlb s LEU 460 Cb 0.00 -2.61 0.16 0.00 0.50 0.00 0.00 46.19 44.24 3dlb s LEU 460 CO 0.00 -0.15 1.36 -1.58 -1.32 0.00 0.00 176.35 174.66 3dlb s GLN 461 N 1.60 3.97 0.13 1.98 0.74 -1.21 -3.40 119.66 123.48 3dlb s GLN 461 Ca 0.21 -2.39 -0.30 0.00 0.05 0.00 0.00 55.36 52.93 3dlb s GLN 461 Cb -0.15 -5.03 -0.07 0.00 1.10 0.00 0.00 33.01 28.86 3dlb s GLN 461 CO 0.09 -1.77 1.57 0.28 -0.55 0.00 0.00 175.29 174.91 3dlb h VAL 462 N 4.94 0.09 -3.87 1.34 2.07 -1.89 -2.22 116.25 116.71 3dlb h VAL 462 Ca 0.28 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.51 3dlb h VAL 462 Cb 0.91 0.09 -0.19 0.00 -1.52 0.00 0.00 31.29 30.58 3dlb h VAL 462 CO 1.21 0.00 -0.73 -0.69 0.02 0.00 0.00 177.57 177.38 3dlb s VAL 463 N -5.82 0.74 -0.01 2.57 1.01 -1.26 -0.05 120.40 117.58 3dlb s VAL 463 Ca -0.15 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 60.47 3dlb s VAL 463 Cb 0.09 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3dlb s VAL 463 CO 0.63 -0.51 -0.21 0.00 0.00 0.00 0.00 175.10 175.02 3dlb s ALA 464 N -2.10 1.73 0.16 5.51 0.00 -1.07 -4.63 121.76 121.37 3dlb s ALA 464 Ca -0.01 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3dlb s ALA 464 Cb -0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 23.12 22.57 3dlb s ALA 464 CO -0.00 0.42 0.58 -0.51 0.00 0.00 0.00 175.76 176.25 3dlb s LEU 465 N -0.58 4.33 0.00 0.00 1.43 -1.25 -2.85 118.68 119.76 3dlb s LEU 465 Ca 0.08 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3dlb s LEU 465 Cb -0.08 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3dlb s LEU 465 CO -0.00 0.08 0.08 -1.54 0.23 0.00 0.00 176.35 175.20 3dlb n SER 466 N 0.75 0.00 0.00 2.29 3.41 -0.65 -4.88 113.62 114.55 3dlb n SER 466 Ca -0.05 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3dlb n SER 466 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3dlb n SER 466 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dlb n GLY 467 N -0.26 -2.15 3.08 5.00 0.00 -1.26 -5.08 105.19 104.51 3dlb n GLY 467 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3dlb n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb n ALA 468 N 0.00 -2.74 -2.44 4.61 0.00 -1.26 -5.06 120.51 113.61 3dlb n ALA 468 Ca 0.00 0.56 -0.23 0.00 0.00 0.00 0.00 53.44 53.77 3dlb n ALA 468 Cb 0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 19.45 16.77 3dlb n ALA 468 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dlb s TYR 469 N -2.65 2.16 0.09 0.00 1.51 -1.26 -5.07 117.35 112.13 3dlb s TYR 469 Ca 0.16 -0.40 -0.34 0.00 -1.01 0.00 0.00 57.07 55.48 3dlb s TYR 469 Cb -0.04 -0.96 -0.16 0.00 -0.11 0.00 0.00 41.96 40.69 3dlb s TYR 469 CO 0.79 0.63 1.58 -1.35 -1.11 0.00 0.00 175.55 176.08 3dlb h PRO 470 N 2.33 -0.89 -6.06 -1.71 0.11 -1.97 -3.43 132.00 120.38 3dlb h PRO 470 Ca -0.40 0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.17 3dlb h PRO 470 Cb 1.25 0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.52 3dlb h PRO 470 CO 0.61 -0.59 -0.28 0.00 -0.21 0.00 0.00 178.00 177.53 3dlb s ALA 471 N -5.91 3.75 -2.23 -0.75 0.00 -1.26 -4.78 121.76 110.58 3dlb s ALA 471 Ca -0.18 -0.42 0.20 0.00 0.00 0.00 0.00 51.96 51.57 3dlb s ALA 471 Cb 0.05 -2.22 0.34 0.00 0.00 0.00 0.00 23.12 21.29 3dlb s ALA 471 CO 0.61 0.58 1.30 -0.85 0.00 0.00 0.00 175.76 177.41 3dlb n GLU 472 N 0.96 2.27 -3.66 0.00 0.28 -1.13 -4.80 120.64 114.56 3dlb n GLU 472 Ca -0.09 -2.09 -0.08 0.00 -0.16 0.00 0.00 57.16 54.74 3dlb n GLU 472 Cb 0.52 -1.45 -0.09 0.00 1.43 0.00 0.00 31.44 31.86 3dlb n GLU 472 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3dlb s LEU 473 N -1.42 -0.60 -0.09 -1.84 2.96 -1.24 -3.49 118.68 112.95 3dlb s LEU 473 Ca 0.33 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 55.31 3dlb s LEU 473 Cb 0.20 1.51 0.02 0.00 0.50 0.00 0.00 46.19 48.41 3dlb s LEU 473 CO 0.28 -0.22 -0.12 0.00 -1.32 0.00 0.00 176.35 174.97 3dlb s ALA 474 N 2.33 1.40 -0.08 5.97 0.00 -0.71 -1.75 121.76 128.93 3dlb s ALA 474 Ca -0.04 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.40 3dlb s ALA 474 Cb -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3dlb s ALA 474 CO -0.14 -0.12 -0.15 0.54 0.00 0.00 0.00 175.76 175.89 3dlb s VAL 475 N 1.10 1.37 0.21 0.00 0.11 0.56 -1.23 120.40 122.53 3dlb s VAL 475 Ca -0.06 -0.62 -0.10 0.00 -2.93 0.00 0.00 61.98 58.28 3dlb s VAL 475 Cb -0.14 -1.23 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 3dlb s VAL 475 CO -0.02 0.41 0.53 -0.83 -3.33 0.00 0.00 175.10 171.86 3dlb s GLY 476 N 0.60 2.30 0.10 6.54 0.00 -0.12 -1.92 107.32 114.82 3dlb s GLY 476 Ca -0.15 -0.28 0.10 0.00 0.00 0.00 0.00 44.72 44.39 3dlb s GLY 476 CO 0.05 -0.12 -0.26 -1.36 0.00 0.00 0.00 173.10 171.40 3dlb s PHE 477 N -1.75 2.29 -0.15 1.90 0.40 0.20 -1.99 117.98 118.88 3dlb s PHE 477 Ca 0.45 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.31 3dlb s PHE 477 Cb -0.12 -1.28 0.05 0.00 0.51 0.00 0.00 43.02 42.18 3dlb s PHE 477 CO 0.21 0.26 0.35 0.34 0.70 0.00 0.00 175.22 177.09 3dlb s ASP 478 N -1.78 -0.42 -0.09 1.36 -1.08 -0.23 -4.13 116.67 110.30 3dlb s ASP 478 Ca 0.13 0.76 0.14 0.00 -0.52 0.00 0.00 52.55 53.06 3dlb s ASP 478 Cb -0.10 0.66 0.21 0.00 -1.46 0.00 0.00 42.92 42.23 3dlb s ASP 478 CO 0.05 -0.17 1.10 0.00 0.52 0.00 0.00 175.17 176.66 3dlb n ALA 479 N 4.05 2.18 -2.64 3.66 0.00 -1.26 -1.21 120.51 125.28 3dlb n ALA 479 Ca -0.22 -2.18 -0.22 0.00 0.00 0.00 0.00 53.44 50.81 3dlb n ALA 479 Cb 0.55 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.73 3dlb n ALA 479 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlb n GLY 480 N -1.16 0.11 4.20 0.00 0.00 -1.26 -1.29 105.19 105.80 3dlb n GLY 480 Ca 0.12 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.79 3dlb n GLY 480 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 481 N 0.08 0.80 3.66 -0.02 0.00 -1.26 -4.94 105.19 103.52 3dlb n GLY 481 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3dlb n GLY 481 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dlb s ARG 482 N 0.00 4.15 0.00 1.61 0.52 -0.41 -4.86 118.95 119.96 3dlb s ARG 482 Ca 0.00 2.45 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 3dlb s ARG 482 Cb 0.00 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.37 3dlb s ARG 482 CO 0.00 -0.92 0.54 -0.85 0.02 0.00 0.00 175.30 174.10 3dlb n GLU 483 N 7.39 0.47 -3.60 3.54 -0.00 -1.26 -4.70 120.64 122.48 3dlb n GLU 483 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.30 3dlb n GLU 483 Cb 0.42 -1.26 -0.04 0.00 -0.00 0.00 0.00 31.44 30.56 3dlb n GLU 483 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3dlb s SER 484 N 1.15 -0.18 -0.18 -1.84 1.04 -1.26 -4.61 113.70 107.82 3dlb s SER 484 Ca 0.00 0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.62 3dlb s SER 484 Cb 0.00 0.16 0.47 0.00 0.10 0.00 0.00 66.02 66.75 3dlb s SER 484 CO 0.00 -0.21 1.34 0.49 0.98 0.00 0.00 173.24 175.84 3dlb n PHE 485 N 0.32 1.44 -0.02 5.02 3.01 -1.26 -4.24 117.46 121.73 3dlb n PHE 485 Ca -0.03 -0.69 -0.00 0.00 1.01 0.00 0.00 57.45 57.74 3dlb n PHE 485 Cb 0.58 -0.44 -0.00 0.00 -0.01 0.00 0.00 39.48 39.61 3dlb n PHE 485 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3dlb h ARG 486 N 1.90 0.00 -4.65 -1.08 2.43 -1.89 -3.40 114.38 107.69 3dlb h ARG 486 Ca 0.11 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.68 3dlb h ARG 486 Cb 1.61 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 31.19 3dlb h ARG 486 CO 0.41 0.00 2.12 1.19 -1.51 0.00 0.00 179.97 182.18 3dlb n PHE 487 N -2.95 2.12 0.00 2.20 3.72 -1.26 -4.66 117.46 116.63 3dlb n PHE 487 Ca -0.01 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.59 3dlb n PHE 487 Cb 0.02 -1.90 0.00 0.00 -0.94 0.00 0.00 39.48 36.66 3dlb n PHE 487 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dlb n GLY 488 N 4.74 -0.89 0.00 1.37 0.00 -1.26 -4.97 105.19 104.18 3dlb n GLY 488 Ca 0.49 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3dlb n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 489 N -0.07 3.58 3.07 -0.02 0.00 -1.26 -4.72 105.19 105.77 3dlb n GLY 489 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 3dlb n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlb s ALA 490 N 0.00 -0.21 -0.04 4.61 0.00 -0.35 -3.87 121.76 121.90 3dlb s ALA 490 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 3dlb s ALA 490 Cb 0.00 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.25 3dlb s ALA 490 CO 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 175.76 175.69 3dlb s ALA 491 N -1.40 -0.30 -0.06 0.00 0.00 -0.54 -1.06 121.76 118.40 3dlb s ALA 491 Ca -0.15 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3dlb s ALA 491 Cb -0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 3dlb s ALA 491 CO 0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 175.76 175.49 3dlb s ALA 493 N 0.13 2.59 -0.11 0.00 0.00 0.16 -0.95 121.76 123.58 3dlb s ALA 493 Ca -0.07 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3dlb s ALA 493 Cb -0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 3dlb s ALA 493 CO 0.04 0.48 -0.21 0.08 0.00 0.00 0.00 175.76 176.14 3dlb s VAL 494 N -0.44 2.29 -1.97 0.00 1.01 -0.36 -1.96 120.40 118.96 3dlb s VAL 494 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3dlb s VAL 494 Cb -0.12 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3dlb s VAL 494 CO 0.02 0.55 0.05 0.61 0.00 0.00 0.00 175.10 176.32 3dlb n GLY 495 N 3.60 -0.04 1.20 4.51 0.00 -1.20 -1.74 105.19 111.50 3dlb n GLY 495 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3dlb n GLY 495 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 496 N -0.43 -4.45 3.57 -0.02 0.00 -1.23 -4.31 105.19 98.32 3dlb n GLY 496 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3dlb n GLY 496 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dlb n ASP 497 N 0.62 -3.08 0.00 1.61 5.75 -1.26 -3.40 116.55 116.80 3dlb n ASP 497 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3dlb n ASP 497 Cb 0.00 -4.33 0.00 0.00 -1.03 0.00 0.00 41.12 35.76 3dlb n ASP 497 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dlb n GLY 498 N -1.46 0.93 2.05 6.12 0.00 -1.26 -3.84 105.19 107.74 3dlb n GLY 498 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 3dlb n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 499 N -1.78 1.09 0.00 -0.02 0.00 -1.22 -4.74 105.19 98.53 3dlb n GLY 499 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3dlb n GLY 499 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dlb n HIS 500 N 2.21 0.00 0.00 1.61 -0.00 -1.26 -3.24 115.22 114.54 3dlb n HIS 500 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 3dlb n HIS 500 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.13 3dlb n HIS 500 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 3dlb n LEU 501 N 0.00 0.00 0.00 0.27 7.94 -0.83 -4.62 117.00 119.77 3dlb n LEU 501 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3dlb n LEU 501 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3dlb n LEU 501 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3dlb n LEU 502 N 0.00 0.00 -4.21 -1.96 -0.00 -1.21 -4.88 117.00 104.74 3dlb n LEU 502 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.73 3dlb n LEU 502 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.26 3dlb n LEU 502 CO 0.00 0.00 -0.53 0.86 -0.00 0.00 0.00 177.39 177.72 3dlb s TRP 503 N -0.57 1.94 0.21 1.47 -0.00 -1.26 0.40 118.94 121.12 3dlb s TRP 503 Ca 0.00 -0.45 -0.14 0.00 -0.00 0.00 0.00 56.10 55.51 3dlb s TRP 503 Cb 0.00 -1.27 0.05 0.00 -0.00 0.00 0.00 33.47 32.26 3dlb s TRP 503 CO 0.00 -0.09 0.70 -2.37 -0.00 0.00 0.00 176.95 175.19 3dlb n THR 504 N 2.75 0.00 -3.51 5.86 5.66 -0.02 -5.00 114.28 120.03 3dlb n THR 504 Ca -0.16 -0.57 -0.11 0.00 -3.05 0.00 0.00 64.05 60.15 3dlb n THR 504 Cb 0.53 0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 69.94 3dlb n THR 504 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 3dlb s LEU 505 N 0.00 -0.42 -0.41 1.09 -0.00 -1.26 -1.47 118.68 116.21 3dlb s LEU 505 Ca 0.15 -0.12 -0.37 0.00 -0.00 0.00 0.00 54.13 53.78 3dlb s LEU 505 Cb -0.03 2.53 -0.16 0.00 -0.00 0.00 0.00 46.19 48.53 3dlb s LEU 505 CO 0.06 -1.01 1.48 -2.65 -0.00 0.00 0.00 176.35 174.23 3dlb n PRO 506 N -0.38 0.00 0.00 1.48 -0.02 -1.25 -4.94 135.00 129.90 3dlb n PRO 506 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3dlb n PRO 506 Cb 0.64 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 3dlb n PRO 506 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dlb n GLU 507 N 4.41 -1.13 -3.41 -0.52 -0.58 -1.26 -4.92 120.64 113.23 3dlb n GLU 507 Ca 0.33 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.63 3dlb n GLU 507 Cb -0.04 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 3dlb n GLU 507 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dlb s ALA 508 N -2.00 3.54 0.26 0.62 0.00 -1.26 -5.04 121.76 117.87 3dlb s ALA 508 Ca 0.00 -2.41 0.01 0.00 0.00 0.00 0.00 51.96 49.57 3dlb s ALA 508 Cb 0.00 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 20.07 3dlb s ALA 508 CO 0.00 -1.89 0.10 1.04 0.00 0.00 0.00 175.76 175.01 3dlb n GLN 509 N 5.13 1.24 -3.96 0.00 6.02 -1.26 -5.14 117.38 119.41 3dlb n GLN 509 Ca -0.12 -1.72 -0.16 0.00 -0.01 0.00 0.00 57.00 54.99 3dlb n GLN 509 Cb 0.41 0.32 -0.16 0.00 1.02 0.00 0.00 30.24 31.83 3dlb n GLN 509 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dlb s ALA 510 N -2.40 0.32 0.00 -1.58 0.00 -1.26 -5.08 121.76 111.76 3dlb s ALA 510 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3dlb s ALA 510 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3dlb s ALA 510 CO 0.05 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3dlb n GLY 511 N 3.88 2.56 3.60 0.00 0.00 -1.26 -5.02 105.19 108.96 3dlb n GLY 511 Ca -0.24 -2.06 -0.45 0.00 0.00 0.00 0.00 46.02 43.26 3dlb n GLY 511 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dlb n GLU 512 N -0.36 1.41 -4.19 1.61 2.13 -1.26 -4.94 120.64 115.03 3dlb n GLU 512 Ca 0.00 0.49 -0.34 0.00 0.66 0.00 0.00 57.16 57.97 3dlb n GLU 512 Cb 0.00 -1.92 -0.10 0.00 0.27 0.00 0.00 31.44 29.68 3dlb n GLU 512 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 3dlb s ARG 513 N -1.23 3.70 -0.33 5.31 6.06 -1.26 -5.08 118.95 126.13 3dlb s ARG 513 Ca 0.62 -0.40 -0.22 0.00 -2.50 0.00 0.00 55.73 53.23 3dlb s ARG 513 Cb -0.72 -3.05 -0.00 0.00 0.06 0.00 0.00 34.95 31.24 3dlb s ARG 513 CO 0.58 0.35 0.70 -1.50 -2.50 0.00 0.00 175.30 172.93 3dlb s ILE 514 N 0.11 4.85 0.21 4.11 -1.16 -1.26 -4.84 121.20 123.22 3dlb s ILE 514 Ca 0.03 0.89 -0.08 0.00 -0.51 0.00 0.00 60.65 60.98 3dlb s ILE 514 Cb -0.13 -4.10 0.33 0.00 0.61 0.00 0.00 42.46 39.18 3dlb s ILE 514 CO 0.01 -0.27 1.23 -0.81 -2.81 0.00 0.00 174.94 172.30 3dlb n PRO 515 N 6.11 -0.09 0.12 3.50 -0.04 -1.26 0.37 135.00 143.71 3dlb n PRO 515 Ca 0.01 1.23 0.20 0.00 -0.04 0.00 0.00 63.50 64.90 3dlb n PRO 515 Cb 0.48 -1.84 0.76 0.00 -0.04 0.00 0.00 33.50 32.87 3dlb n PRO 515 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3dlb h GLN 516 N 0.00 0.00 0.10 0.54 4.20 -1.94 0.24 115.11 118.25 3dlb h GLN 516 Ca 0.36 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.79 3dlb h GLN 516 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 3dlb h GLN 516 CO -0.81 0.00 -1.33 0.93 -0.67 0.00 0.00 178.83 176.95 3dlb h GLU 517 N 0.00 0.21 0.31 1.46 5.08 -0.40 -2.25 114.58 118.98 3dlb h GLU 517 Ca 0.17 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3dlb h GLU 517 Cb 0.94 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3dlb h GLU 517 CO -0.00 1.12 -0.15 0.28 -1.00 0.00 0.00 179.01 179.26 3dlb h VAL 518 N 0.06 0.00 -0.88 3.13 2.07 -0.44 -0.66 116.25 119.53 3dlb h VAL 518 Ca -0.16 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.46 3dlb h VAL 518 Cb 1.96 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.58 3dlb h VAL 518 CO 0.17 0.00 -0.34 0.58 0.02 0.00 0.00 177.57 178.01 3dlb h VAL 519 N -0.46 0.06 -0.33 2.57 2.07 -1.30 0.30 116.25 119.16 3dlb h VAL 519 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3dlb h VAL 519 Cb 0.31 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 3dlb h VAL 519 CO 0.07 0.00 -0.06 -0.25 0.02 0.00 0.00 177.57 177.35 3dlb h TRP 520 N -0.04 -0.13 -0.88 1.57 -0.00 -1.34 -2.50 115.95 112.63 3dlb h TRP 520 Ca 0.34 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.25 3dlb h TRP 520 Cb 0.60 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.83 3dlb h TRP 520 CO -0.78 -0.12 0.51 -0.44 -0.00 0.00 0.00 178.44 177.61 3dlb h ASP 521 N 0.03 1.08 -0.33 2.65 3.32 0.11 0.47 116.42 123.75 3dlb h ASP 521 Ca 0.16 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3dlb h ASP 521 Cb 0.24 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3dlb h ASP 521 CO -0.32 0.85 0.08 -0.07 -1.72 0.00 0.00 179.24 178.06 3dlb h LEU 522 N 1.22 0.05 -0.58 1.55 3.38 -0.69 0.37 115.31 120.61 3dlb h LEU 522 Ca 0.31 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 3dlb h LEU 522 Cb -0.01 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dlb h LEU 522 CO -0.05 0.06 -0.11 0.25 0.09 0.00 0.00 178.44 178.68 3dlb h LEU 523 N 0.20 1.02 -0.85 1.67 5.85 -1.12 -2.57 115.31 119.52 3dlb h LEU 523 Ca 0.15 -0.34 0.15 0.00 0.84 0.00 0.00 57.88 58.68 3dlb h LEU 523 Cb 0.16 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 3dlb h LEU 523 CO -0.19 1.13 0.43 -0.08 -0.34 0.00 0.00 178.44 179.39 3dlb h GLU 524 N 0.90 0.60 -0.08 1.25 4.57 0.90 -1.37 114.58 121.36 3dlb h GLU 524 Ca 0.14 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3dlb h GLU 524 Cb 0.68 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3dlb h GLU 524 CO 0.05 0.40 -0.09 1.49 -1.18 0.00 0.00 179.01 179.68 3dlb h GLU 525 N 0.62 0.20 -0.96 1.92 4.57 -0.66 -3.14 114.58 117.13 3dlb h GLU 525 Ca 0.46 -0.11 0.14 0.00 -1.18 0.00 0.00 59.36 58.68 3dlb h GLU 525 Cb 0.65 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.17 3dlb h GLU 525 CO -0.36 0.64 0.61 1.79 -1.18 0.00 0.00 179.01 180.51 3dlb h THR 526 N -0.24 0.84 -0.62 0.32 1.35 -1.01 0.35 112.91 113.89 3dlb h THR 526 Ca 0.01 -0.28 -0.06 0.00 -0.55 0.00 0.00 66.41 65.53 3dlb h THR 526 Cb 0.61 -0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 3dlb h THR 526 CO 0.02 0.15 0.15 -0.07 -0.25 0.00 0.00 175.52 175.52 3dlb h LEU 527 N 0.82 0.92 -0.26 3.87 3.38 -1.26 0.10 115.31 122.88 3dlb h LEU 527 Ca 0.49 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 3dlb h LEU 527 Cb 0.67 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dlb h LEU 527 CO -0.26 0.89 -0.22 -0.50 0.09 0.00 0.00 178.44 178.44 3dlb h TRP 528 N 0.93 0.71 -0.02 1.13 4.06 -1.03 0.37 115.95 122.11 3dlb h TRP 528 Ca 0.20 -0.21 0.03 0.00 2.06 0.00 0.00 58.89 60.98 3dlb h TRP 528 Cb 0.33 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.28 3dlb h TRP 528 CO 0.02 0.91 -0.39 0.00 -3.56 0.00 0.00 178.44 175.42 3dlb h ALA 529 N 0.69 -0.59 -0.73 1.49 0.00 -0.58 0.21 119.26 119.75 3dlb h ALA 529 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3dlb h ALA 529 Cb 0.77 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3dlb h ALA 529 CO 0.06 -0.91 0.48 0.35 0.00 0.00 0.00 179.25 179.22 3dlb h PHE 530 N -0.53 0.65 0.18 0.00 3.57 -0.70 -0.67 116.94 119.44 3dlb h PHE 530 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3dlb h PHE 530 Cb 0.62 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3dlb h PHE 530 CO -0.41 0.31 -0.08 -0.09 -2.23 0.00 0.00 178.31 175.81 3dlb h ARG 531 N 0.61 -0.23 -0.80 1.11 1.12 0.27 -1.41 114.38 115.05 3dlb h ARG 531 Ca 0.33 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 59.39 3dlb h ARG 531 Cb 0.49 0.05 -0.11 0.00 -0.01 0.00 0.00 29.97 30.39 3dlb h ARG 531 CO -0.12 -0.15 0.31 0.00 -3.11 0.00 0.00 179.97 176.90 3dlb h ARG 532 N -0.25 0.40 0.00 0.20 3.08 -0.66 0.82 114.38 117.97 3dlb h ARG 532 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dlb h ARG 532 Cb 0.18 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3dlb h ARG 532 CO 0.04 0.27 0.00 1.63 -1.07 0.00 0.00 179.97 180.83 3dlb n LYS 533 N -5.03 0.19 0.00 0.04 5.02 -0.28 -4.12 118.16 113.98 3dlb n LYS 533 Ca 0.17 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3dlb n LYS 533 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3dlb n LYS 533 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlb n ALA 534 N -1.39 0.00 0.00 7.82 0.00 -0.53 -5.04 120.51 121.37 3dlb n ALA 534 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3dlb n ALA 534 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3dlb n ALA 534 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlb n GLY 535 N 0.00 3.19 3.48 0.00 0.00 0.28 -5.02 105.19 107.12 3dlb n GLY 535 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3dlb n GLY 535 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dlb s ARG 536 N -0.48 1.36 0.31 1.61 1.81 -1.24 -4.95 118.95 117.38 3dlb s ARG 536 Ca 0.00 -1.12 -0.28 0.00 -1.72 0.00 0.00 55.73 52.61 3dlb s ARG 536 Cb 0.00 0.45 -0.10 0.00 -0.45 0.00 0.00 34.95 34.86 3dlb s ARG 536 CO 0.00 -0.55 1.14 -0.51 -0.68 0.00 0.00 175.30 174.70 3dlb s LEU 537 N -2.96 4.46 0.40 2.53 1.02 -1.26 -4.29 118.68 118.58 3dlb s LEU 537 Ca 0.17 2.34 -0.27 0.00 0.02 0.00 0.00 54.13 56.39 3dlb s LEU 537 Cb 0.01 -3.71 -0.10 0.00 0.02 0.00 0.00 46.19 42.41 3dlb s LEU 537 CO 0.03 -0.30 1.43 -2.16 0.02 0.00 0.00 176.35 175.37 3dlb s PRO 538 N -1.68 3.96 0.16 1.29 0.04 -1.26 -4.93 135.00 132.59 3dlb s PRO 538 Ca 0.48 2.45 -0.04 0.00 0.04 0.00 0.00 61.00 63.92 3dlb s PRO 538 Cb -0.33 -2.84 0.03 0.00 0.04 0.00 0.00 34.50 31.40 3dlb s PRO 538 CO 0.42 -0.61 1.42 0.66 0.04 0.00 0.00 177.00 178.94 3dlb h SER 539 N 2.75 0.60 -3.96 6.66 4.64 -1.93 -3.45 113.55 118.86 3dlb h SER 539 Ca -0.51 -0.38 -0.21 0.00 -0.47 0.00 0.00 61.79 60.23 3dlb h SER 539 Cb 1.25 -0.18 -0.26 0.00 -0.31 0.00 0.00 62.40 62.90 3dlb h SER 539 CO 0.63 1.12 -0.67 -0.60 -0.87 0.00 0.00 176.83 176.45 3dlb s ARG 540 N -3.72 0.10 0.05 4.77 3.52 -1.26 -1.50 118.95 120.91 3dlb s ARG 540 Ca -0.07 -0.05 0.06 0.00 -0.13 0.00 0.00 55.73 55.55 3dlb s ARG 540 Cb 0.10 0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 3dlb s ARG 540 CO 0.85 -0.02 -0.18 0.08 -0.81 0.00 0.00 175.30 175.22 3dlb s VAL 541 N -0.23 1.46 -0.24 7.11 1.01 -0.25 -2.81 120.40 126.44 3dlb s VAL 541 Ca -0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 3dlb s VAL 541 Cb -0.02 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3dlb s VAL 541 CO -0.00 0.08 -0.01 -0.22 0.00 0.00 0.00 175.10 174.94 3dlb s LEU 542 N -1.30 3.15 -0.32 3.92 2.96 -0.72 -2.34 118.68 124.03 3dlb s LEU 542 Ca 0.05 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 3dlb s LEU 542 Cb -0.09 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.85 3dlb s LEU 542 CO 0.02 -0.06 0.12 -0.76 -1.32 0.00 0.00 176.35 174.34 3dlb s LEU 543 N 1.48 4.14 -0.21 -0.68 1.43 -0.46 -0.32 118.68 124.06 3dlb s LEU 543 Ca 0.05 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 3dlb s LEU 543 Cb -0.15 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 3dlb s LEU 543 CO -0.02 -0.26 0.05 -0.76 0.23 0.00 0.00 176.35 175.60 3dlb s LEU 544 N 1.50 3.56 0.20 1.79 1.43 -0.81 -1.39 118.68 124.96 3dlb s LEU 544 Ca 0.02 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 3dlb s LEU 544 Cb -0.18 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3dlb s LEU 544 CO 0.04 0.07 -0.15 0.00 0.23 0.00 0.00 176.35 176.54 3dlb s ARG 545 N 0.96 1.33 0.11 1.70 1.70 -0.51 -0.62 118.95 123.62 3dlb s ARG 545 Ca 0.03 -1.55 -0.30 0.00 -0.47 0.00 0.00 55.73 53.44 3dlb s ARG 545 Cb -0.14 -1.19 -0.06 0.00 -0.57 0.00 0.00 34.95 32.99 3dlb s ARG 545 CO 0.03 0.21 1.06 0.34 -1.08 0.00 0.00 175.30 175.86 3dlb s ASP 546 N -3.18 7.31 0.28 -2.89 2.15 -1.26 0.73 116.67 119.80 3dlb s ASP 546 Ca 0.21 1.93 -0.02 0.00 0.43 0.00 0.00 52.55 55.10 3dlb s ASP 546 Cb -0.02 -2.59 0.41 0.00 -0.30 0.00 0.00 42.92 40.42 3dlb s ASP 546 CO 0.07 -0.24 1.91 1.23 -0.17 0.00 0.00 175.17 177.98 3dlb h GLY 547 N 5.84 1.41 -0.77 2.66 0.00 -0.55 -2.96 103.07 108.69 3dlb h GLY 547 Ca -0.43 -0.47 0.38 0.00 0.00 0.00 0.00 47.33 46.81 3dlb h GLY 547 CO 0.74 0.38 0.76 0.07 0.00 0.00 0.00 176.54 178.49 3dlb h ARG 548 N 1.17 0.19 -7.07 4.80 -0.00 -1.93 -3.40 114.38 108.13 3dlb h ARG 548 Ca 0.39 -0.01 -0.46 0.00 -0.00 0.00 0.00 59.98 59.90 3dlb h ARG 548 Cb 0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 29.97 30.00 3dlb h ARG 548 CO -0.13 0.12 0.36 0.08 -0.00 0.00 0.00 179.97 180.40 3dlb s VAL 549 N -5.40 4.08 -0.13 0.08 1.01 -1.12 -4.91 120.40 114.01 3dlb s VAL 549 Ca -0.08 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.95 3dlb s VAL 549 Cb 0.29 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3dlb s VAL 549 CO 0.81 -0.30 0.70 -2.16 0.00 0.00 0.00 175.10 174.16 3dlb s PRO 550 N -3.25 4.33 0.00 2.72 0.04 -1.26 -4.95 135.00 132.63 3dlb s PRO 550 Ca 0.65 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3dlb s PRO 550 Cb -0.13 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3dlb s PRO 550 CO 0.17 -0.12 0.76 0.00 0.04 0.00 0.00 177.00 177.86 3dlb n GLN 551 N 4.51 0.00 -0.08 4.56 10.64 -1.26 -2.57 117.38 133.18 3dlb n GLN 551 Ca -0.00 0.29 0.07 0.00 -1.83 0.00 0.00 57.00 55.53 3dlb n GLN 551 Cb 0.50 -1.62 0.43 0.00 -0.86 0.00 0.00 30.24 28.69 3dlb n GLN 551 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3dlb h ASP 552 N 0.00 0.49 0.10 2.61 5.19 -2.04 -2.68 116.42 120.09 3dlb h ASP 552 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3dlb h ASP 552 Cb 0.24 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3dlb h ASP 552 CO 0.00 0.32 0.00 -0.62 -3.12 0.00 0.00 179.24 175.82 3dlb n GLU 553 N -4.47 0.04 0.00 3.56 1.02 -1.06 -2.05 120.64 117.67 3dlb n GLU 553 Ca 0.07 0.50 0.11 0.00 -0.02 0.00 0.00 57.16 57.82 3dlb n GLU 553 Cb 0.21 -1.63 0.06 0.00 -0.02 0.00 0.00 31.44 30.07 3dlb n GLU 553 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dlb n PHE 554 N -1.71 0.00 -0.07 -0.32 3.01 -1.01 -4.03 117.46 113.33 3dlb n PHE 554 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.39 3dlb n PHE 554 Cb 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 3dlb n PHE 554 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dlb h ALA 555 N 4.02 -0.10 -0.29 4.37 0.00 -1.58 0.23 119.26 125.91 3dlb h ALA 555 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3dlb h ALA 555 Cb 0.84 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3dlb h ALA 555 CO 0.00 -0.66 0.15 1.37 0.00 0.00 0.00 179.25 180.12 3dlb h LEU 556 N -0.23 0.24 -0.53 0.00 -0.00 -1.82 -0.99 115.31 111.97 3dlb h LEU 556 Ca 0.15 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.12 3dlb h LEU 556 Cb 0.46 -0.04 -0.07 0.00 -0.00 0.00 0.00 40.66 41.02 3dlb h LEU 556 CO -0.42 0.18 0.16 0.00 -0.00 0.00 0.00 178.44 178.36 3dlb h ALA 557 N 1.14 0.64 -0.59 0.17 0.00 -1.49 -0.93 119.26 118.21 3dlb h ALA 557 Ca 0.12 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3dlb h ALA 557 Cb 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3dlb h ALA 557 CO -0.07 -0.25 0.16 -0.07 0.00 0.00 0.00 179.25 179.02 3dlb h LEU 558 N 0.32 0.88 -1.61 0.00 3.38 -0.11 -2.36 115.31 115.81 3dlb h LEU 558 Ca 0.27 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dlb h LEU 558 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dlb h LEU 558 CO -0.30 0.87 -0.21 -0.33 0.09 0.00 0.00 178.44 178.55 3dlb h GLU 559 N 0.85 0.00 -0.14 1.13 5.08 -0.56 -1.74 114.58 119.20 3dlb h GLU 559 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3dlb h GLU 559 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3dlb h GLU 559 CO -0.00 0.21 -0.38 0.00 -1.00 0.00 0.00 179.01 177.85 3dlb h ALA 560 N 1.79 0.23 -0.84 3.43 0.00 -0.80 -1.73 119.26 121.34 3dlb h ALA 560 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3dlb h ALA 560 Cb 0.45 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3dlb h ALA 560 CO 0.03 0.32 0.46 -0.07 0.00 0.00 0.00 179.25 179.99 3dlb h LEU 561 N 0.12 1.04 -0.19 0.00 3.38 -1.10 0.58 115.31 119.14 3dlb h LEU 561 Ca -0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dlb h LEU 561 Cb 0.99 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3dlb h LEU 561 CO 0.08 0.83 0.11 0.00 0.09 0.00 0.00 178.44 179.56 3dlb h ALA 562 N 1.34 0.25 -0.52 1.53 0.00 -1.27 0.32 119.26 120.91 3dlb h ALA 562 Ca 0.30 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3dlb h ALA 562 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3dlb h ALA 562 CO -0.05 -0.23 0.33 0.00 0.00 0.00 0.00 179.25 179.29 3dlb h ARG 563 N 0.23 0.64 0.00 0.00 3.08 -0.61 -2.36 114.38 115.35 3dlb h ARG 563 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dlb h ARG 563 Cb 0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3dlb h ARG 563 CO -0.01 0.42 -0.00 0.93 -1.07 0.00 0.00 179.97 180.24 3dlb h GLU 564 N 0.66 0.00 0.00 0.04 4.39 -0.53 -3.46 114.58 115.68 3dlb h GLU 564 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3dlb h GLU 564 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3dlb h GLU 564 CO -0.07 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.19 3dlb n GLY 565 N -0.40 0.83 3.46 -3.84 0.00 -0.39 -5.06 105.19 99.79 3dlb n GLY 565 Ca -0.01 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 3dlb n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlb s ILE 566 N -2.00 4.58 0.84 -0.61 1.01 1.00 -4.95 121.20 121.06 3dlb s ILE 566 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3dlb s ILE 566 Cb 0.00 -3.23 0.10 0.00 0.01 0.00 0.00 42.46 39.34 3dlb s ILE 566 CO 0.00 0.21 1.09 0.00 0.00 0.00 0.00 174.94 176.25 3dlb s ALA 567 N 1.64 1.88 0.24 9.38 0.00 -0.57 -4.09 121.76 130.24 3dlb s ALA 567 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.84 3dlb s ALA 567 Cb -0.16 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.78 3dlb s ALA 567 CO 0.06 -2.07 0.76 1.52 0.00 0.00 0.00 175.76 176.02 3dlb s TYR 568 N -2.94 -0.22 -0.14 0.00 1.13 -1.26 -1.09 117.35 112.83 3dlb s TYR 568 Ca 0.62 -0.19 -0.06 0.00 -1.41 0.00 0.00 57.07 56.04 3dlb s TYR 568 Cb -0.17 0.68 0.07 0.00 -1.10 0.00 0.00 41.96 41.43 3dlb s TYR 568 CO 0.56 -1.11 0.31 -0.51 -2.51 0.00 0.00 175.55 172.29 3dlb s ASP 569 N -2.90 0.04 -0.28 -0.18 1.01 -0.99 -4.24 116.67 109.14 3dlb s ASP 569 Ca 0.10 0.70 -0.07 0.00 0.71 0.00 0.00 52.55 53.99 3dlb s ASP 569 Cb -0.05 0.81 -0.01 0.00 1.01 0.00 0.00 42.92 44.68 3dlb s ASP 569 CO 0.04 -0.22 0.09 -0.22 0.21 0.00 0.00 175.17 175.07 3dlb s LEU 570 N 2.19 3.75 -0.04 1.23 2.96 -0.16 -1.35 118.68 127.27 3dlb s LEU 570 Ca -0.02 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3dlb s LEU 570 Cb -0.11 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3dlb s LEU 570 CO -0.10 -0.14 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.85 3dlb s VAL 571 N 1.56 2.03 -0.08 1.68 1.01 -0.49 -1.01 120.40 125.10 3dlb s VAL 571 Ca 0.04 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3dlb s VAL 571 Cb -0.16 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3dlb s VAL 571 CO 0.03 0.57 -0.01 -0.94 0.00 0.00 0.00 175.10 174.75 3dlb s SER 572 N -0.39 5.14 -0.00 3.32 1.04 -0.66 -1.42 113.70 120.73 3dlb s SER 572 Ca 0.03 0.11 0.05 0.00 0.48 0.00 0.00 55.95 56.63 3dlb s SER 572 Cb -0.12 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.56 3dlb s SER 572 CO 0.01 0.37 -0.16 -0.69 0.98 0.00 0.00 173.24 173.75 3dlb s VAL 573 N -0.89 2.94 -0.13 5.02 1.01 0.22 -1.65 120.40 126.93 3dlb s VAL 573 Ca 0.14 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3dlb s VAL 573 Cb -0.11 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.13 3dlb s VAL 573 CO 0.03 0.47 0.26 0.00 0.00 0.00 0.00 175.10 175.85 3dlb s ARG 574 N -1.09 0.16 0.00 2.72 1.70 -0.84 0.21 118.95 121.81 3dlb s ARG 574 Ca 0.13 0.72 0.27 0.00 -0.47 0.00 0.00 55.73 56.39 3dlb s ARG 574 Cb -0.11 -0.05 0.96 0.00 -0.57 0.00 0.00 34.95 35.19 3dlb s ARG 574 CO 0.03 -0.27 1.70 1.63 -1.08 0.00 0.00 175.30 177.31 3dlb n LYS 575 N 5.20 0.58 -3.09 3.89 4.01 -1.26 -1.20 118.16 126.28 3dlb n LYS 575 Ca -0.09 -0.26 -0.19 0.00 -0.51 0.00 0.00 58.31 57.26 3dlb n LYS 575 Cb 0.50 -1.49 0.01 0.00 -0.51 0.00 0.00 35.03 33.54 3dlb n LYS 575 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3dlb s SER 576 N -2.61 5.71 -1.31 4.39 1.04 -1.26 -4.62 113.70 115.05 3dlb s SER 576 Ca 0.23 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 3dlb s SER 576 Cb 0.19 -0.97 0.05 0.00 0.10 0.00 0.00 66.02 65.40 3dlb s SER 576 CO 0.53 -0.71 0.14 0.61 0.98 0.00 0.00 173.24 174.78 3dlb n GLY 577 N -1.89 -0.16 0.54 7.32 0.00 -1.26 -4.69 105.19 105.05 3dlb n GLY 577 Ca 0.05 0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.28 3dlb n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 578 N -1.88 0.17 7.00 -0.02 0.00 -1.26 -4.91 105.19 104.29 3dlb n GLY 578 Ca -0.16 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3dlb n GLY 578 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlb n GLY 579 N 1.24 -0.43 3.66 -0.02 0.00 -1.26 -4.79 105.19 103.58 3dlb n GLY 579 Ca 0.09 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3dlb n GLY 579 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dlb s ARG 580 N 0.00 2.04 -0.13 1.61 1.81 -1.26 -4.27 118.95 118.74 3dlb s ARG 580 Ca 0.00 -2.24 -0.07 0.00 -1.72 0.00 0.00 55.73 51.71 3dlb s ARG 580 Cb 0.00 -1.42 0.05 0.00 -0.45 0.00 0.00 34.95 33.14 3dlb s ARG 580 CO 0.00 -0.25 0.31 0.08 -0.68 0.00 0.00 175.30 174.77 3dlb s VAL 581 N -2.89 -0.08 0.13 3.52 1.01 -1.26 -3.17 120.40 117.66 3dlb s VAL 581 Ca 0.20 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.39 3dlb s VAL 581 Cb 0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3dlb s VAL 581 CO 0.10 0.06 -0.15 -0.31 0.00 0.00 0.00 175.10 174.80 3dlb s TYR 582 N 1.44 1.49 0.55 5.22 2.02 0.22 -4.86 117.35 123.44 3dlb s TYR 582 Ca -0.08 -0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 55.91 3dlb s TYR 582 Cb -0.10 -0.77 -0.06 0.00 -0.40 0.00 0.00 41.96 40.64 3dlb s TYR 582 CO -0.10 0.19 1.02 -2.14 -1.57 0.00 0.00 175.55 172.95 3dlb s PRO 583 N -2.75 3.62 0.08 -1.71 0.02 -1.26 0.12 135.00 133.13 3dlb s PRO 583 Ca 0.11 1.09 0.03 0.00 0.02 0.00 0.00 61.00 62.25 3dlb s PRO 583 Cb -0.05 -2.08 -0.24 0.00 0.02 0.00 0.00 34.50 32.15 3dlb s PRO 583 CO 0.04 -0.55 1.15 0.28 -0.33 0.00 0.00 177.00 177.59 3dlb h VAL 584 N 0.69 1.53 -1.92 3.83 2.07 -1.91 -3.42 116.25 117.12 3dlb h VAL 584 Ca -0.47 -3.21 0.04 0.00 0.82 0.00 0.00 66.70 63.88 3dlb h VAL 584 Cb 1.20 2.84 -0.20 0.00 -1.52 0.00 0.00 31.29 33.61 3dlb h VAL 584 CO 0.59 0.90 0.40 -1.10 0.02 0.00 0.00 177.57 178.39 3dlb s GLN 585 N -2.68 0.82 1.82 1.57 -0.21 -1.26 -5.07 119.66 114.66 3dlb s GLN 585 Ca -0.02 0.06 0.00 0.00 0.02 0.00 0.00 55.36 55.42 3dlb s GLN 585 Cb 0.09 0.39 0.00 0.00 1.00 0.00 0.00 33.01 34.48 3dlb s GLN 585 CO 0.84 -0.29 0.00 0.41 -2.12 0.00 0.00 175.29 174.14 3dlb n GLY 586 N 0.54 -1.51 3.83 3.09 0.00 -1.26 -4.93 105.19 104.94 3dlb n GLY 586 Ca -0.13 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 3dlb n GLY 586 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlb s ARG 587 N 0.00 2.23 -0.15 1.61 3.52 -1.26 -4.80 118.95 120.10 3dlb s ARG 587 Ca 0.00 -2.19 -0.04 0.00 -0.13 0.00 0.00 55.73 53.37 3dlb s ARG 587 Cb 0.00 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.53 3dlb s ARG 587 CO 0.00 -0.47 -0.01 -1.17 -0.81 0.00 0.00 175.30 172.84 3dlb s LEU 588 N -4.07 3.44 0.00 -0.88 0.20 -1.26 -4.97 118.68 111.14 3dlb s LEU 588 Ca 0.21 -0.03 0.00 0.00 0.69 0.00 0.00 54.13 55.00 3dlb s LEU 588 Cb -0.00 -1.83 0.00 0.00 -0.43 0.00 0.00 46.19 43.93 3dlb s LEU 588 CO 0.13 0.21 0.00 0.00 -0.29 0.00 0.00 176.35 176.40 3dlb n ALA 589 N 3.26 0.00 -1.48 5.97 0.00 -1.26 -4.96 120.51 122.04 3dlb n ALA 589 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3dlb n ALA 589 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3dlb n ALA 589 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dlb n ASP 590 N -1.94 0.00 -4.46 0.00 4.64 -1.26 -4.31 116.55 109.22 3dlb n ASP 590 Ca 0.00 0.00 -0.34 0.00 -1.38 0.00 0.00 54.79 53.07 3dlb n ASP 590 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.04 3dlb n ASP 590 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dlb n GLY 591 N 2.97 1.69 3.89 0.27 0.00 -1.24 -2.86 105.19 109.91 3dlb n GLY 591 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3dlb n GLY 591 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlb s LEU 592 N 8.02 4.38 -0.27 0.99 1.43 -0.67 -2.50 118.68 130.06 3dlb s LEU 592 Ca 0.63 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 3dlb s LEU 592 Cb 0.03 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.87 3dlb s LEU 592 CO 0.11 0.32 -0.01 -0.47 0.23 0.00 0.00 176.35 176.54 3dlb s TYR 593 N -1.19 3.12 -0.41 0.29 5.04 0.13 -1.34 117.35 122.99 3dlb s TYR 593 Ca 0.22 -1.42 0.00 0.00 -2.44 0.00 0.00 57.07 53.43 3dlb s TYR 593 Cb -0.13 -2.13 0.11 0.00 0.35 0.00 0.00 41.96 40.17 3dlb s TYR 593 CO 0.12 -0.69 0.17 0.08 -1.34 0.00 0.00 175.55 173.88 3dlb s VAL 594 N 1.37 2.87 0.37 3.14 1.01 -0.73 -0.34 120.40 128.08 3dlb s VAL 594 Ca 0.00 -2.35 -0.25 0.00 0.00 0.00 0.00 61.98 59.38 3dlb s VAL 594 Cb -0.17 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 3dlb s VAL 594 CO -0.02 -0.68 1.04 -2.16 0.00 0.00 0.00 175.10 173.28 3dlb s PRO 595 N 0.83 4.31 -0.03 2.72 0.04 -1.26 -0.81 135.00 140.80 3dlb s PRO 595 Ca 0.11 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 3dlb s PRO 595 Cb -0.21 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 3dlb s PRO 595 CO -0.05 -0.01 -0.07 1.28 0.04 0.00 0.00 177.00 178.18 3dlb n LEU 596 N 0.23 0.57 0.00 -3.56 4.32 -0.42 -4.75 117.00 113.39 3dlb n LEU 596 Ca 0.04 0.09 -0.25 0.00 -0.02 0.00 0.00 56.01 55.86 3dlb n LEU 596 Cb 0.49 -0.21 -0.07 0.00 -1.62 0.00 0.00 43.42 42.01 3dlb n LEU 596 CO 0.46 -0.05 -0.17 -0.62 -1.22 0.00 0.00 177.39 175.79 3dlb n GLU 597 N -3.33 0.65 -0.22 3.23 1.02 -1.17 -4.99 120.64 115.83 3dlb n GLU 597 Ca -0.09 -3.32 0.15 0.00 -0.02 0.00 0.00 57.16 53.88 3dlb n GLU 597 Cb 0.47 1.62 0.46 0.00 -0.02 0.00 0.00 31.44 33.97 3dlb n GLU 597 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3dlb h ASP 598 N 1.47 0.49 0.00 1.62 2.03 -2.02 -3.07 116.42 116.94 3dlb h ASP 598 Ca -0.32 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 3dlb h ASP 598 Cb 1.16 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 3dlb h ASP 598 CO 0.51 0.24 -0.01 0.29 -1.03 0.00 0.00 179.24 179.25 3dlb n LYS 599 N -4.52 1.96 -4.19 4.15 4.76 -1.26 -4.88 118.16 114.19 3dlb n LYS 599 Ca 0.16 -2.05 -0.16 0.00 -2.87 0.00 0.00 58.31 53.39 3dlb n LYS 599 Cb 0.54 -1.25 -0.13 0.00 -1.84 0.00 0.00 35.03 32.35 3dlb n LYS 599 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3dlb s THR 600 N -1.97 0.68 0.16 -0.18 -4.23 -1.16 -0.50 115.64 108.44 3dlb s THR 600 Ca 0.17 -0.77 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 3dlb s THR 600 Cb 0.15 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.37 3dlb s THR 600 CO 0.02 -0.09 0.44 0.72 -0.54 0.00 0.00 174.62 175.16 3dlb s PHE 601 N -0.79 -0.10 0.26 3.99 -0.71 -0.70 -1.30 117.98 118.63 3dlb s PHE 601 Ca -0.02 -0.23 0.07 0.00 -1.04 0.00 0.00 56.93 55.71 3dlb s PHE 601 Cb -0.07 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 3dlb s PHE 601 CO 0.00 -0.80 0.18 -0.51 -1.34 0.00 0.00 175.22 172.75 3dlb s LEU 602 N -2.85 3.71 -0.07 -1.99 1.43 0.01 -1.14 118.68 117.77 3dlb s LEU 602 Ca 0.07 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 3dlb s LEU 602 Cb 0.01 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 44.02 3dlb s LEU 602 CO -0.07 -0.06 0.10 -0.22 0.23 0.00 0.00 176.35 176.33 3dlb s LEU 603 N -3.83 0.09 0.17 1.79 2.96 -0.96 -1.78 118.68 117.12 3dlb s LEU 603 Ca 0.33 0.08 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 3dlb s LEU 603 Cb -0.07 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 3dlb s LEU 603 CO 0.24 -0.26 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.22 3dlb s LEU 604 N 2.21 3.22 -0.38 -0.68 1.02 -0.45 -1.99 118.68 121.63 3dlb s LEU 604 Ca 0.04 -0.43 0.07 0.00 0.02 0.00 0.00 54.13 53.82 3dlb s LEU 604 Cb -0.13 -1.89 0.18 0.00 0.02 0.00 0.00 46.19 44.37 3dlb s LEU 604 CO -0.05 0.10 0.57 0.42 0.02 0.00 0.00 176.35 177.41 3dlb s THR 605 N -1.67 -0.85 0.00 5.49 -4.23 -1.14 -1.67 115.64 111.57 3dlb s THR 605 Ca 0.26 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 3dlb s THR 605 Cb -0.09 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.45 3dlb s THR 605 CO 0.17 -0.13 0.00 1.33 -0.54 0.00 0.00 174.62 175.46 3dlb n VAL 606 N 4.55 0.00 0.00 2.29 0.24 -1.26 -4.99 118.33 119.16 3dlb n VAL 606 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3dlb n VAL 606 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 3dlb n VAL 606 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dlb n HIS 607 N 0.00 0.00 0.00 6.34 -0.00 -1.26 -5.02 115.22 115.28 3dlb n HIS 607 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dlb n HIS 607 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3dlb n HIS 607 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 3dlb n ARG 608 N 0.00 0.00 -3.13 -1.40 -4.01 -1.26 -4.60 116.66 102.26 3dlb n ARG 608 Ca 0.00 0.00 -0.23 0.00 -1.04 0.00 0.00 57.85 56.58 3dlb n ARG 608 Cb 0.00 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.37 3dlb n ARG 608 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 3dlb n ASP 609 N 0.00 2.45 0.00 2.89 10.43 -1.26 -5.04 116.55 126.02 3dlb n ASP 609 Ca 0.00 -3.27 0.00 0.00 2.57 0.00 0.00 54.79 54.09 3dlb n ASP 609 Cb 0.00 -0.61 0.00 0.00 1.84 0.00 0.00 41.12 42.35 3dlb n ASP 609 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 3dlb n PHE 610 N 0.31 0.00 0.04 1.24 7.35 -1.26 -4.89 117.46 120.24 3dlb n PHE 610 Ca 0.27 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.97 3dlb n PHE 610 Cb 0.51 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.27 3dlb n PHE 610 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dlb h ARG 611 N 0.00 0.00 0.00 -4.13 3.08 -2.00 -3.48 114.38 107.86 3dlb h ARG 611 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dlb h ARG 611 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3dlb h ARG 611 CO 0.00 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 3dlb n GLY 612 N 1.38 -0.08 3.57 0.04 0.00 -1.26 -3.41 105.19 105.42 3dlb n GLY 612 Ca -0.09 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 3dlb n GLY 612 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dlb s THR 613 N 0.50 3.64 0.20 2.61 -1.32 -1.26 -4.58 115.64 115.43 3dlb s THR 613 Ca 0.00 -0.50 -0.29 0.00 -1.21 0.00 0.00 61.69 59.69 3dlb s THR 613 Cb 0.00 -2.49 -0.08 0.00 -1.51 0.00 0.00 72.50 68.42 3dlb s THR 613 CO 0.00 0.59 0.89 -2.84 -2.21 0.00 0.00 174.62 171.05 3dlb s PRO 614 N -0.74 4.75 -0.53 7.08 0.02 -1.26 -5.02 135.00 139.31 3dlb s PRO 614 Ca 0.11 1.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.35 3dlb s PRO 614 Cb -0.11 -3.29 0.10 0.00 0.02 0.00 0.00 34.50 31.22 3dlb s PRO 614 CO 0.01 0.50 0.53 1.03 -0.33 0.00 0.00 177.00 178.74 3dlb s ARG 615 N -1.02 3.01 1.06 5.54 0.52 -1.26 -4.52 118.95 122.29 3dlb s ARG 615 Ca 0.40 -1.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.03 3dlb s ARG 615 Cb -0.25 -4.23 0.23 0.00 0.52 0.00 0.00 34.95 31.22 3dlb s ARG 615 CO 0.30 -1.29 1.07 -1.25 0.02 0.00 0.00 175.30 174.15 3dlb s PRO 616 N 1.93 -0.11 -0.23 3.54 0.04 -1.26 -5.00 135.00 133.91 3dlb s PRO 616 Ca 0.06 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.71 3dlb s PRO 616 Cb -0.26 -1.66 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3dlb s PRO 616 CO 0.05 -3.15 0.14 -0.51 0.04 0.00 0.00 177.00 173.58 3dlb s LEU 617 N -6.79 4.06 -0.12 -3.56 1.43 -0.84 -4.56 118.68 108.29 3dlb s LEU 617 Ca 0.67 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.66 3dlb s LEU 617 Cb -0.21 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3dlb s LEU 617 CO 0.61 0.08 0.60 -0.75 0.23 0.00 0.00 176.35 177.11 3dlb s LYS 618 N 0.98 4.34 -0.04 1.70 2.20 -0.34 -2.26 119.74 126.32 3dlb s LYS 618 Ca 0.07 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 3dlb s LYS 618 Cb -0.13 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3dlb s LYS 618 CO 0.04 0.02 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.37 3dlb s LEU 619 N 1.03 1.90 -0.16 5.43 1.02 -0.29 -1.98 118.68 125.63 3dlb s LEU 619 Ca 0.31 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 54.13 3dlb s LEU 619 Cb -0.16 -0.93 0.03 0.00 0.02 0.00 0.00 46.19 45.15 3dlb s LEU 619 CO 0.13 0.14 -0.14 -0.69 0.02 0.00 0.00 176.35 175.82 3dlb s VAL 620 N 0.06 1.61 -0.44 -1.59 1.01 -0.66 -1.72 120.40 118.67 3dlb s VAL 620 Ca -0.04 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 3dlb s VAL 620 Cb -0.11 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3dlb s VAL 620 CO 0.02 0.41 1.37 -2.28 0.00 0.00 0.00 175.10 174.62 3dlb s HIS 621 N 1.46 2.44 -0.20 5.22 2.46 0.34 -1.65 115.29 125.37 3dlb s HIS 621 Ca 0.04 0.66 0.09 0.00 0.47 0.00 0.00 55.06 56.31 3dlb s HIS 621 Cb -0.13 -4.34 -0.22 0.00 -0.13 0.00 0.00 32.58 27.76 3dlb s HIS 621 CO -0.10 -1.88 0.02 0.39 -2.47 0.00 0.00 174.74 170.70 3dlb n GLU 622 N 8.12 0.67 -3.98 2.88 1.02 -0.18 -4.87 120.64 124.31 3dlb n GLU 622 Ca 0.15 0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 3dlb n GLU 622 Cb 0.48 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 3dlb n GLU 622 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dlb s ALA 623 N -2.52 0.12 0.00 0.62 0.00 -1.03 -4.97 121.76 113.98 3dlb s ALA 623 Ca -0.21 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3dlb s ALA 623 Cb 0.07 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3dlb s ALA 623 CO 0.73 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3dlb n GLY 624 N 1.43 3.04 0.00 0.00 0.00 -1.26 -0.99 105.19 107.42 3dlb n GLY 624 Ca -0.23 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3dlb n GLY 624 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dlb n ASP 625 N 0.00 1.80 -4.77 1.61 2.03 -1.26 -5.04 116.55 110.92 3dlb n ASP 625 Ca 0.00 -0.30 -0.41 0.00 0.52 0.00 0.00 54.79 54.60 3dlb n ASP 625 Cb 0.00 0.96 -0.02 0.00 -0.72 0.00 0.00 41.12 41.34 3dlb n ASP 625 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3dlb s THR 626 N -1.32 2.56 0.55 5.18 2.01 -1.26 -4.97 115.64 118.39 3dlb s THR 626 Ca 0.00 0.55 -0.21 0.00 0.31 0.00 0.00 61.69 62.34 3dlb s THR 626 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3dlb s THR 626 CO 0.00 0.13 1.21 -2.65 -0.69 0.00 0.00 174.62 172.61 3dlb n PRO 627 N 0.89 1.41 -0.03 4.92 -0.02 -1.26 -4.85 135.00 136.06 3dlb n PRO 627 Ca 0.01 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3dlb n PRO 627 Cb 0.41 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3dlb n PRO 627 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3dlb h LEU 628 N 1.15 0.11 -0.47 2.45 3.38 -1.93 -2.42 115.31 117.58 3dlb h LEU 628 Ca -0.49 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.58 3dlb h LEU 628 Cb 1.33 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 3dlb h LEU 628 CO 0.55 0.09 -0.17 -0.08 0.09 0.00 0.00 178.44 178.92 3dlb h GLU 629 N 0.17 -0.06 -0.58 1.13 4.81 -1.99 0.19 114.58 118.24 3dlb h GLU 629 Ca 0.07 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3dlb h GLU 629 Cb 0.03 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 3dlb h GLU 629 CO -0.06 -0.04 0.32 0.00 -0.73 0.00 0.00 179.01 178.49 3dlb h ALA 630 N 1.33 0.76 -0.77 2.92 0.00 -1.87 -1.84 119.26 119.79 3dlb h ALA 630 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3dlb h ALA 630 Cb 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dlb h ALA 630 CO -0.52 -0.01 0.34 -0.07 0.00 0.00 0.00 179.25 178.99 3dlb h LEU 631 N 0.60 1.04 -1.45 0.00 4.07 -0.71 -2.55 115.31 116.31 3dlb h LEU 631 Ca 0.26 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 3dlb h LEU 631 Cb 0.14 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3dlb h LEU 631 CO -0.16 0.91 -0.20 0.00 -1.08 0.00 0.00 178.44 177.91 3dlb h ALA 632 N 1.17 1.54 -0.08 1.53 0.00 -0.16 -1.55 119.26 121.71 3dlb h ALA 632 Ca 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dlb h ALA 632 Cb 0.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dlb h ALA 632 CO -0.03 0.33 -0.08 0.45 0.00 0.00 0.00 179.25 179.93 3dlb h HIS 633 N 0.11 0.23 -0.30 0.00 3.86 -1.00 -0.99 115.15 117.06 3dlb h HIS 633 Ca 0.02 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3dlb h HIS 633 Cb 0.42 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 3dlb h HIS 633 CO 0.00 0.63 0.09 0.37 0.86 0.00 0.00 177.93 179.88 3dlb h GLN 634 N -0.23 0.46 -0.00 2.45 4.15 -1.31 0.63 115.11 121.27 3dlb h GLN 634 Ca 0.01 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3dlb h GLN 634 Cb 0.59 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 3dlb h GLN 634 CO 0.02 0.52 0.00 0.82 -1.93 0.00 0.00 178.83 178.26 3dlb h ILE 635 N 0.32 1.11 -0.79 2.39 2.04 -1.32 -0.39 117.51 120.87 3dlb h ILE 635 Ca 0.09 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3dlb h ILE 635 Cb 0.26 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3dlb h ILE 635 CO -0.00 0.09 0.44 0.15 0.00 0.00 0.00 178.15 178.83 3dlb h PHE 636 N -0.14 0.81 -0.19 1.37 3.57 -1.11 0.64 116.94 121.89 3dlb h PHE 636 Ca 0.00 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 3dlb h PHE 636 Cb 0.14 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3dlb h PHE 636 CO -0.03 0.33 -0.32 0.45 -2.23 0.00 0.00 178.31 176.51 3dlb h HIS 637 N 0.76 0.45 -0.38 0.41 3.86 -0.57 -2.86 115.15 116.82 3dlb h HIS 637 Ca 0.38 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.36 3dlb h HIS 637 Cb 0.34 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3dlb h HIS 637 CO -0.07 0.67 -0.26 -0.07 0.86 0.00 0.00 177.93 179.06 3dlb h LEU 638 N 0.34 0.88 -0.03 2.43 3.38 0.42 -2.61 115.31 120.12 3dlb h LEU 638 Ca 0.04 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.61 3dlb h LEU 638 Cb 0.74 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3dlb h LEU 638 CO 0.06 1.13 -0.37 0.74 0.09 0.00 0.00 178.44 180.09 3dlb h THR 639 N 0.64 0.23 0.41 0.22 2.02 -0.73 -2.84 112.91 112.87 3dlb h THR 639 Ca 0.07 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3dlb h THR 639 Cb 0.83 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3dlb h THR 639 CO 0.07 0.00 -0.20 0.03 0.37 0.00 0.00 175.52 175.79 3dlb h ARG 640 N -0.50 -0.54 -0.98 6.66 -0.00 -1.53 -2.99 114.38 114.49 3dlb h ARG 640 Ca 0.06 0.04 0.40 0.00 -0.50 0.00 0.00 59.98 59.98 3dlb h ARG 640 Cb 0.60 0.12 -0.18 0.00 0.00 0.00 0.00 29.97 30.52 3dlb h ARG 640 CO -0.31 -0.35 0.50 -0.11 0.00 0.00 0.00 179.97 179.70 3dlb n LEU 641 N -5.32 0.32 -0.07 3.04 7.94 -0.99 -5.01 117.00 116.90 3dlb n LEU 641 Ca -0.11 1.64 0.01 0.00 -1.11 0.00 0.00 56.01 56.44 3dlb n LEU 641 Cb 0.24 -0.79 0.01 0.00 0.53 0.00 0.00 43.42 43.41 3dlb n LEU 641 CO 0.36 -1.82 0.28 -1.22 -1.11 0.00 0.00 177.39 173.88