#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyh h PRO 29 N 0.00 0.00 -3.99 -0.67 0.11 -2.00 -3.47 132.00 121.98 3jyh h PRO 29 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 3jyh h PRO 29 Cb 0.00 0.00 0.09 0.00 0.11 0.00 0.00 31.00 31.20 3jyh h PRO 29 CO 0.00 0.00 -0.40 0.41 -0.21 0.00 0.00 178.00 177.80 3jyh n GLY 30 N -1.12 -0.03 3.72 -0.55 0.00 -1.26 -4.52 105.19 101.43 3jyh n GLY 30 Ca -0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3jyh n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jyh s PHE 31 N -3.18 2.94 -0.16 1.61 0.08 -1.26 -4.74 117.98 113.26 3jyh s PHE 31 Ca 0.11 0.47 -0.15 0.00 0.12 0.00 0.00 56.93 57.48 3jyh s PHE 31 Cb -0.01 -4.07 -0.04 0.00 -0.57 0.00 0.00 43.02 38.32 3jyh s PHE 31 CO 0.36 -3.98 0.33 -0.65 -0.10 0.00 0.00 175.22 171.19 3jyh s GLN 32 N 0.98 4.26 -0.29 0.44 1.11 0.76 -4.87 119.66 122.06 3jyh s GLN 32 Ca 0.72 0.16 -0.26 0.00 0.01 0.00 0.00 55.36 55.99 3jyh s GLN 32 Cb -0.48 -3.44 0.01 0.00 -1.01 0.00 0.00 33.01 28.08 3jyh s GLN 32 CO 0.33 0.18 0.91 -2.00 0.01 0.00 0.00 175.29 174.72 3jyh s GLU 33 N 0.62 4.06 0.33 2.91 2.12 -1.26 -1.01 118.70 126.46 3jyh s GLU 33 Ca 0.18 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.43 3jyh s GLU 33 Cb -0.14 -3.71 -0.06 0.00 0.26 0.00 0.00 34.13 30.48 3jyh s GLU 33 CO 0.05 -0.72 -0.01 1.03 -0.54 0.00 0.00 175.26 175.08 3jyh s ARG 34 N 3.17 1.69 0.03 4.30 1.81 0.18 -5.01 118.95 125.12 3jyh s ARG 34 Ca 0.38 -1.91 0.07 0.00 -1.72 0.00 0.00 55.73 52.55 3jyh s ARG 34 Cb -0.14 -1.19 -0.02 0.00 -0.45 0.00 0.00 34.95 33.15 3jyh s ARG 34 CO 0.12 -0.05 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.43 3jyh s PHE 35 N -3.02 1.71 -0.10 -0.53 0.08 -1.26 -0.91 117.98 113.95 3jyh s PHE 35 Ca 0.33 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.05 3jyh s PHE 35 Cb 0.07 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.47 3jyh s PHE 35 CO 0.15 0.06 -0.18 0.12 -0.10 0.00 0.00 175.22 175.27 3jyh s PHE 36 N -0.72 2.67 -0.65 0.36 5.36 0.74 -4.88 117.98 120.86 3jyh s PHE 36 Ca 0.07 -0.68 -0.27 0.00 -0.96 0.00 0.00 56.93 55.09 3jyh s PHE 36 Cb -0.08 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.87 3jyh s PHE 36 CO 0.01 -0.20 1.49 -0.65 -1.46 0.00 0.00 175.22 174.42 3jyh s GLN 37 N 0.09 3.05 -0.10 10.12 -1.52 -1.26 0.13 119.66 130.17 3jyh s GLN 37 Ca -0.08 0.20 -0.05 0.00 -1.95 0.00 0.00 55.36 53.49 3jyh s GLN 37 Cb -0.15 -4.23 -0.04 0.00 -0.22 0.00 0.00 33.01 28.37 3jyh s GLN 37 CO 0.05 -2.27 0.08 -1.14 -0.25 0.00 0.00 175.29 171.76 3jyh s GLN 38 N 6.07 3.23 0.30 2.91 2.00 0.14 -4.82 119.66 129.51 3jyh s GLN 38 Ca 0.49 -0.26 -0.30 0.00 -2.00 0.00 0.00 55.36 53.30 3jyh s GLN 38 Cb -0.10 -3.01 -0.11 0.00 0.80 0.00 0.00 33.01 30.58 3jyh s GLN 38 CO 0.19 0.74 1.59 1.03 -0.50 0.00 0.00 175.29 178.35 3jyh s ARG 39 N -0.99 4.11 0.14 1.67 0.52 -1.26 0.18 118.95 123.31 3jyh s ARG 39 Ca 0.15 2.60 -0.15 0.00 -0.52 0.00 0.00 55.73 57.80 3jyh s ARG 39 Cb -0.12 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.34 3jyh s ARG 39 CO 0.04 -0.64 1.65 -0.07 0.02 0.00 0.00 175.30 176.30 3jyh h LEU 40 N 4.64 0.63 -7.20 2.53 3.38 -1.74 -3.43 115.31 114.13 3jyh h LEU 40 Ca -0.47 -0.21 -0.51 0.00 0.09 0.00 0.00 57.88 56.77 3jyh h LEU 40 Cb 1.22 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 41.41 3jyh h LEU 40 CO 0.78 0.68 -0.76 -0.62 0.09 0.00 0.00 178.44 178.60 3jyh s ASP 41 N -5.99 2.94 0.32 -0.43 -1.08 -1.26 -4.97 116.67 106.20 3jyh s ASP 41 Ca -0.13 -0.88 0.25 0.00 -0.52 0.00 0.00 52.55 51.27 3jyh s ASP 41 Cb 0.10 -0.54 0.66 0.00 -1.46 0.00 0.00 42.92 41.68 3jyh s ASP 41 CO 0.77 -0.33 1.72 0.45 0.52 0.00 0.00 175.17 178.30 3jyh h HIS 42 N 8.27 0.00 -0.01 -5.34 3.86 -1.93 -3.37 115.15 116.64 3jyh h HIS 42 Ca -0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3jyh h HIS 42 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3jyh h HIS 42 CO 0.27 0.00 -0.04 1.19 0.86 0.00 0.00 177.93 180.21 3jyh n PHE 43 N -2.63 0.00 -3.67 2.45 3.72 -1.26 -4.92 117.46 111.14 3jyh n PHE 43 Ca 0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 3jyh n PHE 43 Cb 0.45 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.83 3jyh n PHE 43 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3jyh s ASN 44 N -0.67 0.86 0.00 4.37 3.84 -1.26 -5.05 114.94 117.02 3jyh s ASN 44 Ca 0.06 0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.67 3jyh s ASN 44 Cb 0.05 0.13 1.24 0.00 -0.55 0.00 0.00 41.25 42.12 3jyh s ASN 44 CO 0.10 -0.24 1.89 0.49 -2.79 0.00 0.00 177.10 176.55 3jyh n PHE 45 N 5.28 0.00 -0.05 0.43 3.72 -1.26 -4.47 117.46 121.11 3jyh n PHE 45 Ca -0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 3jyh n PHE 45 Cb 0.50 -0.33 -0.04 0.00 -0.94 0.00 0.00 39.48 38.67 3jyh n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3jyh n GLU 46 N -1.30 0.21 -0.34 -1.08 1.02 -1.26 -4.04 120.64 113.84 3jyh n GLU 46 Ca 0.11 0.08 0.05 0.00 -0.02 0.00 0.00 57.16 57.38 3jyh n GLU 46 Cb 0.29 -0.92 0.23 0.00 -0.02 0.00 0.00 31.44 31.03 3jyh n GLU 46 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3jyh h ARG 47 N -0.27 1.00 0.00 3.49 1.12 -2.00 -1.98 114.38 115.73 3jyh h ARG 47 Ca -0.24 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.56 3jyh h ARG 47 Cb 1.24 -0.23 -0.03 0.00 -0.01 0.00 0.00 29.97 30.94 3jyh h ARG 47 CO -0.12 0.66 -0.32 1.19 -3.11 0.00 0.00 179.97 178.27 3jyh n PHE 48 N -4.54 0.00 0.00 2.20 3.72 -1.26 -5.08 117.46 112.50 3jyh n PHE 48 Ca 0.16 -1.03 0.00 0.00 -0.05 0.00 0.00 57.45 56.54 3jyh n PHE 48 Cb 0.27 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 3jyh n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jyh n GLY 49 N -1.01 1.36 1.23 1.37 0.00 -0.75 -1.15 105.19 106.24 3jyh n GLY 49 Ca 0.14 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.52 3jyh n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jyh n ASN 50 N 1.50 3.71 -4.73 1.61 5.15 -1.26 -4.75 115.26 116.49 3jyh n ASN 50 Ca 0.00 -1.99 -0.32 0.00 -0.60 0.00 0.00 54.58 51.67 3jyh n ASN 50 Cb 0.00 -0.39 0.11 0.00 -0.53 0.00 0.00 39.78 38.97 3jyh n ASN 50 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3jyh s LYS 51 N -1.16 1.90 0.13 1.20 1.02 -0.30 -4.93 119.74 117.61 3jyh s LYS 51 Ca 0.43 1.49 -0.00 0.00 0.02 0.00 0.00 55.97 57.91 3jyh s LYS 51 Cb 0.23 -1.83 -0.04 0.00 -0.52 0.00 0.00 37.83 35.67 3jyh s LYS 51 CO 0.31 -1.96 0.03 0.95 -0.92 0.00 0.00 175.35 173.77 3jyh s THR 52 N -2.48 0.25 0.03 2.17 -4.23 -1.26 -2.10 115.64 108.02 3jyh s THR 52 Ca 0.67 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 3jyh s THR 52 Cb -0.23 -2.01 -0.02 0.00 1.34 0.00 0.00 72.50 71.57 3jyh s THR 52 CO 0.51 -0.52 -0.00 0.72 -0.54 0.00 0.00 174.62 174.79 3jyh s PHE 53 N -3.94 0.34 -0.17 3.99 -0.12 0.13 -4.81 117.98 113.40 3jyh s PHE 53 Ca 0.22 -0.71 -0.29 0.00 -0.05 0.00 0.00 56.93 56.10 3jyh s PHE 53 Cb 0.07 -0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.21 3jyh s PHE 53 CO 0.01 -0.29 1.07 -2.14 -0.05 0.00 0.00 175.22 173.82 3jyh s PRO 54 N -2.55 4.32 -0.24 1.99 0.02 -1.26 0.27 135.00 137.55 3jyh s PRO 54 Ca -0.06 1.44 -0.10 0.00 0.02 0.00 0.00 61.00 62.30 3jyh s PRO 54 Cb -0.02 -3.62 -0.05 0.00 0.02 0.00 0.00 34.50 30.84 3jyh s PRO 54 CO -0.05 -0.52 0.14 -1.14 -0.33 0.00 0.00 177.00 175.10 3jyh s GLN 55 N 2.77 3.99 0.22 5.54 0.74 0.12 -4.25 119.66 128.79 3jyh s GLN 55 Ca 0.48 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.28 3jyh s GLN 55 Cb -0.18 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 3jyh s GLN 55 CO 0.12 0.02 1.06 0.50 -0.55 0.00 0.00 175.29 176.45 3jyh s ARG 56 N 1.14 4.67 0.03 1.67 3.52 -1.26 -0.18 118.95 128.54 3jyh s ARG 56 Ca 0.07 1.69 -0.03 0.00 -0.13 0.00 0.00 55.73 57.32 3jyh s ARG 56 Cb -0.14 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3jyh s ARG 56 CO 0.05 0.22 0.04 -0.59 -0.81 0.00 0.00 175.30 174.20 3jyh s PHE 57 N -0.72 0.27 -0.08 5.12 -0.12 -0.09 -1.56 117.98 120.81 3jyh s PHE 57 Ca 0.46 -0.60 0.01 0.00 -0.05 0.00 0.00 56.93 56.75 3jyh s PHE 57 Cb -0.29 -0.20 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 3jyh s PHE 57 CO 0.36 -0.31 -0.09 -0.51 -0.05 0.00 0.00 175.22 174.62 3jyh s LEU 58 N -2.03 3.00 0.00 -1.99 1.43 -0.16 -0.65 118.68 118.28 3jyh s LEU 58 Ca -0.07 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3jyh s LEU 58 Cb -0.02 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 3jyh s LEU 58 CO -0.04 0.32 -0.06 0.54 0.23 0.00 0.00 176.35 177.34 3jyh s VAL 59 N -0.56 0.43 -0.06 -1.59 0.11 -0.18 -1.20 120.40 117.36 3jyh s VAL 59 Ca 0.08 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3jyh s VAL 59 Cb -0.12 -0.39 0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3jyh s VAL 59 CO 0.02 0.05 0.10 -0.55 -3.33 0.00 0.00 175.10 171.38 3jyh s SER 60 N -0.33 0.80 -0.11 3.54 0.15 -0.50 -0.17 113.70 117.08 3jyh s SER 60 Ca 0.00 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.02 3jyh s SER 60 Cb -0.03 0.05 0.67 0.00 -1.71 0.00 0.00 66.02 65.00 3jyh s SER 60 CO -0.00 -0.23 1.58 -0.90 1.20 0.00 0.00 173.24 174.89 3jyh n ASP 61 N 5.12 4.55 -0.30 5.45 5.75 -1.26 -1.86 116.55 134.00 3jyh n ASP 61 Ca -0.08 -2.46 0.12 0.00 -0.01 0.00 0.00 54.79 52.36 3jyh n ASP 61 Cb 0.50 -0.55 0.27 0.00 -1.03 0.00 0.00 41.12 40.32 3jyh n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3jyh h ARG 62 N 3.71 0.17 -0.02 0.11 2.43 -1.90 -2.01 114.38 116.88 3jyh h ARG 62 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3jyh h ARG 62 Cb 1.40 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3jyh h ARG 62 CO 0.21 0.11 -0.34 1.19 -1.51 0.00 0.00 179.97 179.64 3jyh n PHE 63 N -5.26 0.00 -2.49 2.20 3.72 -1.26 -4.98 117.46 109.39 3jyh n PHE 63 Ca 0.21 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 3jyh n PHE 63 Cb 0.67 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 3jyh n PHE 63 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3jyh s TRP 64 N -2.27 2.87 -0.82 1.38 -0.00 -0.76 -3.69 118.94 115.66 3jyh s TRP 64 Ca 0.20 1.01 -0.18 0.00 -0.00 0.00 0.00 56.10 57.13 3jyh s TRP 64 Cb 0.18 -3.72 0.14 0.00 -0.00 0.00 0.00 33.47 30.06 3jyh s TRP 64 CO 0.48 -1.41 0.95 0.08 -0.00 0.00 0.00 176.95 177.05 3jyh s VAL 65 N 3.93 4.91 0.18 5.86 1.01 -0.97 -4.98 120.40 130.34 3jyh s VAL 65 Ca 0.53 -1.57 -0.33 0.00 0.00 0.00 0.00 61.98 60.60 3jyh s VAL 65 Cb -0.17 -4.65 -0.14 0.00 0.00 0.00 0.00 36.38 31.43 3jyh s VAL 65 CO 0.18 -1.32 1.55 -2.11 0.00 0.00 0.00 175.10 173.40 3jyh n ARG 66 N 6.02 2.15 0.00 2.72 0.00 -1.26 -0.81 116.66 125.48 3jyh n ARG 66 Ca 0.13 0.77 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 3jyh n ARG 66 Cb 0.47 -2.53 0.00 0.00 -0.00 0.00 0.00 32.46 30.40 3jyh n ARG 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jyh n GLY 67 N 3.19 2.62 0.41 2.89 0.00 -1.26 -4.79 105.19 108.25 3jyh n GLY 67 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3jyh n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jyh n GLU 68 N -2.00 0.00 -2.63 1.61 -0.00 -0.69 -5.05 120.64 111.88 3jyh n GLU 68 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.82 3jyh n GLU 68 Cb 0.00 -0.76 -0.05 0.00 -0.00 0.00 0.00 31.44 30.63 3jyh n GLU 68 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3jyh s GLY 69 N -4.30 2.47 0.69 -1.84 0.00 0.01 -5.03 107.32 99.32 3jyh s GLY 69 Ca 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 44.72 45.15 3jyh s GLY 69 CO 0.00 0.85 0.94 -1.55 0.00 0.00 0.00 173.10 173.34 3jyh n PRO 70 N -0.87 -0.87 -3.98 2.90 -0.04 -1.26 -4.78 135.00 126.10 3jyh n PRO 70 Ca 0.09 -1.51 -0.35 0.00 -0.04 0.00 0.00 63.50 61.69 3jyh n PRO 70 Cb 0.53 -0.95 -0.12 0.00 -0.04 0.00 0.00 33.50 32.91 3jyh n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3jyh s ILE 71 N -3.03 4.17 -0.33 0.52 1.01 0.15 -1.12 121.20 122.56 3jyh s ILE 71 Ca 0.54 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.82 3jyh s ILE 71 Cb -0.01 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3jyh s ILE 71 CO 0.38 0.41 0.27 -0.36 0.00 0.00 0.00 174.94 175.63 3jyh s PHE 72 N 1.07 3.22 -0.26 3.97 0.40 0.32 -0.81 117.98 125.89 3jyh s PHE 72 Ca 0.03 -0.09 0.02 0.00 -0.60 0.00 0.00 56.93 56.29 3jyh s PHE 72 Cb -0.14 -2.51 0.07 0.00 0.51 0.00 0.00 43.02 40.94 3jyh s PHE 72 CO 0.02 -0.34 -0.07 0.12 0.70 0.00 0.00 175.22 175.65 3jyh s PHE 73 N 1.81 3.02 -0.27 0.36 5.36 -0.13 -0.18 117.98 127.95 3jyh s PHE 73 Ca 0.08 -2.22 -0.27 0.00 -0.96 0.00 0.00 56.93 53.56 3jyh s PHE 73 Cb -0.17 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.58 3jyh s PHE 73 CO 0.11 -0.86 0.95 -0.47 -1.46 0.00 0.00 175.22 173.49 3jyh s TYR 74 N 1.18 3.26 -0.88 10.12 5.04 0.94 -0.80 117.35 136.22 3jyh s TYR 74 Ca -0.05 1.20 -0.24 0.00 -2.44 0.00 0.00 57.07 55.55 3jyh s TYR 74 Cb -0.19 -3.31 0.06 0.00 0.35 0.00 0.00 41.96 38.87 3jyh s TYR 74 CO -0.06 -0.55 1.29 0.95 -1.34 0.00 0.00 175.55 175.84 3jyh s THR 75 N 3.18 4.03 0.36 4.34 -4.23 -0.56 -0.92 115.64 121.84 3jyh s THR 75 Ca 0.40 -0.48 -0.28 0.00 -1.18 0.00 0.00 61.69 60.15 3jyh s THR 75 Cb -0.14 -4.93 -0.12 0.00 1.34 0.00 0.00 72.50 68.65 3jyh s THR 75 CO 0.10 -1.79 1.37 0.61 -0.54 0.00 0.00 174.62 174.37 3jyh n GLY 76 N 6.04 0.84 0.00 3.99 0.00 0.52 -4.60 105.19 111.98 3jyh n GLY 76 Ca 0.18 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3jyh n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jyh n ASN 77 N 0.61 0.00 -2.78 1.61 6.94 -1.26 -4.07 115.26 116.31 3jyh n ASN 77 Ca 0.03 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.31 3jyh n ASN 77 Cb 0.37 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.71 3jyh n ASN 77 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3jyh n GLU 78 N 0.00 3.04 -2.71 -3.83 0.00 -1.26 -4.44 120.64 111.44 3jyh n GLU 78 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 57.16 55.40 3jyh n GLU 78 Cb 0.00 -2.46 0.01 0.00 0.00 0.00 0.00 31.44 28.98 3jyh n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jyh n GLY 79 N 3.02 0.49 3.67 -1.84 0.00 -1.26 -4.86 105.19 104.41 3jyh n GLY 79 Ca 0.63 -0.92 -0.47 0.00 0.00 0.00 0.00 46.02 45.26 3jyh n GLY 79 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jyh n ASP 80 N -0.54 3.13 0.27 1.61 -0.08 -1.26 -4.38 116.55 115.29 3jyh n ASP 80 Ca 0.02 1.05 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 3jyh n ASP 80 Cb 0.24 -1.40 0.77 0.00 2.34 0.00 0.00 41.12 43.06 3jyh n ASP 80 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3jyh h VAL 81 N 4.11 0.63 -0.19 5.18 3.04 -1.91 -1.46 116.25 125.65 3jyh h VAL 81 Ca -0.46 -0.33 -0.10 0.00 -1.01 0.00 0.00 66.70 64.80 3jyh h VAL 81 Cb 1.26 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3jyh h VAL 81 CO 0.90 0.08 -0.30 -0.50 -1.01 0.00 0.00 177.57 176.74 3jyh h TRP 82 N 0.00 0.42 -0.92 3.17 4.06 -1.98 -0.84 115.95 119.86 3jyh h TRP 82 Ca -0.00 -0.09 0.05 0.00 2.06 0.00 0.00 58.89 60.90 3jyh h TRP 82 Cb 0.20 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.20 3jyh h TRP 82 CO 0.00 0.64 0.59 0.00 -3.56 0.00 0.00 178.44 176.11 3jyh h ALA 83 N 1.36 1.24 -0.13 1.49 0.00 -1.64 0.29 119.26 121.86 3jyh h ALA 83 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3jyh h ALA 83 Cb 0.70 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3jyh h ALA 83 CO 0.05 0.41 -0.46 0.74 0.00 0.00 0.00 179.25 179.99 3jyh h PHE 84 N 1.11 0.72 -0.77 0.00 0.04 -1.51 -2.56 116.94 113.98 3jyh h PHE 84 Ca 0.38 -0.30 0.04 0.00 2.80 0.00 0.00 57.97 60.89 3jyh h PHE 84 Cb 0.08 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 3jyh h PHE 84 CO -0.02 1.07 0.48 0.00 -0.60 0.00 0.00 178.31 179.24 3jyh h ALA 85 N 0.51 1.02 0.00 2.45 0.00 -0.97 -1.73 119.26 120.54 3jyh h ALA 85 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3jyh h ALA 85 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3jyh h ALA 85 CO 0.10 0.25 -0.28 -0.91 0.00 0.00 0.00 179.25 178.41 3jyh h ASN 86 N 0.91 0.00 -0.01 0.00 2.35 -0.43 -3.33 115.58 115.08 3jyh h ASN 86 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3jyh h ASN 86 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3jyh h ASN 86 CO -0.13 0.28 -0.13 0.59 -1.65 0.00 0.00 177.43 176.38 3jyh n ASN 87 N -3.65 1.32 -2.40 5.81 3.02 -0.97 -4.61 115.26 113.79 3jyh n ASN 87 Ca -0.01 -1.16 -0.28 0.00 -0.03 0.00 0.00 54.58 53.10 3jyh n ASN 87 Cb 0.40 0.34 0.02 0.00 -0.61 0.00 0.00 39.78 39.92 3jyh n ASN 87 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3jyh n SER 88 N -0.05 5.30 0.23 6.41 7.64 -0.68 -3.85 113.62 128.63 3jyh n SER 88 Ca 0.04 -3.75 0.18 0.00 1.01 0.00 0.00 58.87 56.35 3jyh n SER 88 Cb 0.20 -0.53 0.83 0.00 -1.01 0.00 0.00 64.21 63.70 3jyh n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jyh h ALA 89 N 2.48 1.65 0.00 -0.43 0.00 -1.67 -2.31 119.26 118.98 3jyh h ALA 89 Ca 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3jyh h ALA 89 Cb 0.98 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3jyh h ALA 89 CO 0.94 -0.39 -0.14 0.35 0.00 0.00 0.00 179.25 180.01 3jyh h PHE 90 N 0.00 0.00 -0.29 0.00 3.57 -0.91 -2.06 116.94 117.26 3jyh h PHE 90 Ca 0.08 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3jyh h PHE 90 Cb 0.69 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3jyh h PHE 90 CO 0.00 0.14 0.05 0.28 -2.23 0.00 0.00 178.31 176.55 3jyh h VAL 91 N 0.00 1.23 -0.57 1.41 2.07 -1.60 -0.61 116.25 118.18 3jyh h VAL 91 Ca -0.00 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 3jyh h VAL 91 Cb 0.27 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3jyh h VAL 91 CO 0.02 0.26 0.08 0.00 0.02 0.00 0.00 177.57 177.95 3jyh h ALA 92 N 0.87 0.76 -0.69 1.67 0.00 -1.69 0.47 119.26 120.66 3jyh h ALA 92 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3jyh h ALA 92 Cb 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3jyh h ALA 92 CO 0.01 0.52 0.42 0.93 0.00 0.00 0.00 179.25 181.13 3jyh h GLU 93 N 0.85 0.80 -0.32 0.00 5.08 -1.23 0.14 114.58 119.90 3jyh h GLU 93 Ca 0.17 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.32 3jyh h GLU 93 Cb 0.43 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3jyh h GLU 93 CO 0.01 0.53 -0.44 1.25 -1.00 0.00 0.00 179.01 179.36 3jyh h LEU 94 N 0.83 0.90 -0.58 1.33 5.85 -0.90 -2.63 115.31 120.11 3jyh h LEU 94 Ca 0.28 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3jyh h LEU 94 Cb 0.03 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3jyh h LEU 94 CO -0.11 1.21 0.27 0.00 -0.34 0.00 0.00 178.44 179.46 3jyh h ALA 95 N 0.82 0.75 -0.68 1.25 0.00 -0.44 0.87 119.26 121.83 3jyh h ALA 95 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3jyh h ALA 95 Cb 1.02 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3jyh h ALA 95 CO 0.10 -0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.59 3jyh h ALA 96 N 1.34 0.92 -0.02 0.00 0.00 -0.49 0.10 119.26 121.13 3jyh h ALA 96 Ca 0.27 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 3jyh h ALA 96 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3jyh h ALA 96 CO -0.22 -0.02 -0.65 1.49 0.00 0.00 0.00 179.25 179.85 3jyh h GLU 97 N 0.62 0.07 -0.04 0.00 4.81 -1.06 -3.31 114.58 115.68 3jyh h GLU 97 Ca 0.32 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3jyh h GLU 97 Cb 0.29 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3jyh h GLU 97 CO -0.23 0.70 0.00 0.54 -0.73 0.00 0.00 179.01 179.29 3jyh n ARG 98 N -3.78 1.23 -3.18 1.92 3.00 0.25 -4.98 116.66 111.12 3jyh n ARG 98 Ca -0.02 -1.46 -0.16 0.00 -0.01 0.00 0.00 57.85 56.20 3jyh n ARG 98 Cb 0.65 -1.30 0.05 0.00 0.00 0.00 0.00 32.46 31.85 3jyh n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3jyh n GLY 99 N 0.88 -0.05 3.90 -0.13 0.00 0.27 -4.48 105.19 105.59 3jyh n GLY 99 Ca 0.09 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3jyh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh s ALA 100 N -3.18 3.72 0.17 4.61 0.00 -0.66 -2.30 121.76 124.12 3jyh s ALA 100 Ca 0.37 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3jyh s ALA 100 Cb -0.16 -2.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 3jyh s ALA 100 CO 0.46 0.51 0.93 -1.17 0.00 0.00 0.00 175.76 176.49 3jyh s LEU 101 N -2.98 4.57 -0.18 0.00 2.96 -0.28 -3.26 118.68 119.52 3jyh s LEU 101 Ca 0.42 1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 56.12 3jyh s LEU 101 Cb -0.11 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3jyh s LEU 101 CO 0.26 0.06 0.01 -0.76 -1.32 0.00 0.00 176.35 174.60 3jyh s LEU 102 N -0.62 3.48 -0.06 -0.68 1.43 -0.78 0.12 118.68 121.57 3jyh s LEU 102 Ca 0.43 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3jyh s LEU 102 Cb -0.24 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3jyh s LEU 102 CO 0.30 0.14 0.01 -0.69 0.23 0.00 0.00 176.35 176.34 3jyh s VAL 103 N 0.56 0.28 -0.29 -1.59 1.01 0.75 -1.41 120.40 119.72 3jyh s VAL 103 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 3jyh s VAL 103 Cb -0.14 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.83 3jyh s VAL 103 CO 0.02 0.23 0.04 -0.36 0.00 0.00 0.00 175.10 175.02 3jyh s PHE 104 N 1.79 3.17 -0.21 5.22 0.08 -0.34 -0.04 117.98 127.65 3jyh s PHE 104 Ca 0.02 -1.36 -0.11 0.00 0.12 0.00 0.00 56.93 55.59 3jyh s PHE 104 Cb -0.13 -2.19 -0.05 0.00 -0.57 0.00 0.00 43.02 40.09 3jyh s PHE 104 CO -0.04 -0.68 0.19 0.00 -0.10 0.00 0.00 175.22 174.59 3jyh s ALA 105 N 1.39 3.63 0.32 5.36 0.00 -0.09 -0.99 121.76 131.38 3jyh s ALA 105 Ca -0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 3jyh s ALA 105 Cb -0.18 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.53 3jyh s ALA 105 CO 0.00 -0.04 0.98 -2.00 0.00 0.00 0.00 175.76 174.70 3jyh s GLU 106 N 0.76 4.56 0.08 0.00 2.12 -0.60 -0.36 118.70 125.27 3jyh s GLU 106 Ca 0.10 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 56.59 3jyh s GLU 106 Cb -0.13 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.32 3jyh s GLU 106 CO 0.02 0.23 1.02 -1.58 -0.54 0.00 0.00 175.26 174.41 3jyh s HIS 107 N -1.49 3.69 0.37 5.30 5.65 -1.26 -4.72 115.29 122.83 3jyh s HIS 107 Ca 0.49 1.68 -0.26 0.00 0.25 0.00 0.00 55.06 57.23 3jyh s HIS 107 Cb -0.22 -3.15 -0.12 0.00 -1.18 0.00 0.00 32.58 27.91 3jyh s HIS 107 CO 0.28 -0.15 0.97 2.89 -0.65 0.00 0.00 174.74 178.08 3jyh n ARG 108 N 3.22 1.30 -0.84 2.88 1.85 -1.26 -1.88 116.66 121.92 3jyh n ARG 108 Ca 0.04 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 3jyh n ARG 108 Cb 0.49 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.98 3jyh n ARG 108 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3jyh n TYR 109 N -0.23 0.00 -4.35 2.89 4.01 0.11 -5.00 117.16 114.59 3jyh n TYR 109 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.55 3jyh n TYR 109 Cb 0.36 -0.27 -0.12 0.00 -0.31 0.00 0.00 39.34 39.00 3jyh n TYR 109 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3jyh s TYR 110 N -3.38 2.44 0.00 -0.72 2.02 -0.79 -4.76 117.35 112.16 3jyh s TYR 110 Ca 0.00 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3jyh s TYR 110 Cb 0.00 -1.27 0.00 0.00 -0.40 0.00 0.00 41.96 40.29 3jyh s TYR 110 CO 0.00 0.41 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 3jyh n GLY 111 N 0.65 3.39 0.71 0.71 0.00 -1.26 -1.97 105.19 107.41 3jyh n GLY 111 Ca -0.15 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3jyh n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jyh n LYS 112 N 9.43 1.56 -2.96 1.61 5.02 -1.26 -4.80 118.16 126.76 3jyh n LYS 112 Ca 0.00 -1.63 -0.44 0.00 -2.02 0.00 0.00 58.31 54.22 3jyh n LYS 112 Cb 0.00 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 3jyh n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3jyh n SER 113 N 0.94 5.82 -4.17 4.39 7.64 -0.83 -4.76 113.62 122.63 3jyh n SER 113 Ca 0.11 -3.21 -0.35 0.00 1.01 0.00 0.00 58.87 56.43 3jyh n SER 113 Cb 0.43 -1.37 -0.14 0.00 -1.01 0.00 0.00 64.21 62.12 3jyh n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3jyh s LEU 114 N -1.43 3.74 0.54 -3.43 1.43 -1.26 0.05 118.68 118.32 3jyh s LEU 114 Ca 0.34 -1.20 0.22 0.00 -1.03 0.00 0.00 54.13 52.46 3jyh s LEU 114 Cb 0.01 -1.70 1.44 0.00 0.03 0.00 0.00 46.19 45.97 3jyh s LEU 114 CO 0.03 -0.23 2.13 -0.65 0.23 0.00 0.00 176.35 177.86 3jyh h PRO 115 N 7.99 0.00 -0.43 1.29 0.11 -1.94 -2.44 132.00 136.58 3jyh h PRO 115 Ca -0.23 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.56 3jyh h PRO 115 Cb 1.07 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.88 3jyh h PRO 115 CO 0.54 0.00 -0.79 1.19 -0.21 0.00 0.00 178.00 178.73 3jyh n PHE 116 N -4.29 1.54 -4.43 0.65 3.72 -1.26 -4.84 117.46 108.54 3jyh n PHE 116 Ca 0.00 -1.87 0.00 0.00 -0.05 0.00 0.00 57.45 55.54 3jyh n PHE 116 Cb 0.23 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 3jyh n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jyh n GLY 117 N -0.71 1.02 0.29 1.37 0.00 -0.92 -3.65 105.19 102.58 3jyh n GLY 117 Ca 0.29 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.88 3jyh n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh h ALA 118 N -0.89 1.03 0.00 4.61 0.00 -2.00 -0.83 119.26 121.19 3jyh h ALA 118 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jyh h ALA 118 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jyh h ALA 118 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3jyh n GLN 119 N -3.17 0.06 -0.32 0.00 10.64 -1.24 -4.08 117.38 119.27 3jyh n GLN 119 Ca -0.01 0.12 0.16 0.00 -1.83 0.00 0.00 57.00 55.44 3jyh n GLN 119 Cb 0.25 -1.57 0.35 0.00 -0.86 0.00 0.00 30.24 28.40 3jyh n GLN 119 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 3jyh h SER 120 N 0.00 0.37 -0.45 2.61 0.02 -1.25 -0.13 113.55 114.72 3jyh h SER 120 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3jyh h SER 120 Cb 0.48 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3jyh h SER 120 CO 0.00 -0.03 0.00 0.35 -1.14 0.00 0.00 176.83 176.01 3jyh n THR 121 N -5.05 1.44 -4.09 -2.27 -2.24 -1.26 -3.77 114.28 97.03 3jyh n THR 121 Ca 0.25 -0.86 -0.31 0.00 -2.27 0.00 0.00 64.05 60.85 3jyh n THR 121 Cb 0.73 -0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 3jyh n THR 121 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jyh s GLN 122 N -1.86 2.87 0.20 -0.78 -1.52 -0.06 -4.72 119.66 113.78 3jyh s GLN 122 Ca 0.37 -0.66 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 3jyh s GLN 122 Cb 0.25 -2.73 -0.16 0.00 -0.22 0.00 0.00 33.01 30.15 3jyh s GLN 122 CO 0.16 0.58 1.01 -2.13 -0.25 0.00 0.00 175.29 174.66 3jyh n ARG 123 N 0.71 0.95 -0.12 2.91 0.63 -1.26 -1.85 116.66 118.63 3jyh n ARG 123 Ca -0.10 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 3jyh n ARG 123 Cb 0.52 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3jyh n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jyh n GLY 124 N 1.76 1.23 0.00 5.14 0.00 -1.26 -4.86 105.19 107.20 3jyh n GLY 124 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3jyh n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3jyh n HIS 125 N -2.00 0.00 1.48 1.61 8.25 -0.77 -4.77 115.22 119.02 3jyh n HIS 125 Ca 0.00 -0.35 0.14 0.00 -0.26 0.00 0.00 57.72 57.25 3jyh n HIS 125 Cb 0.00 -0.03 0.58 0.00 1.12 0.00 0.00 29.99 31.65 3jyh n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3jyh n THR 126 N -0.35 0.00 0.31 1.59 -2.24 -1.25 -4.49 114.28 107.85 3jyh n THR 126 Ca 0.00 -0.13 0.18 0.00 -2.27 0.00 0.00 64.05 61.83 3jyh n THR 126 Cb 0.20 0.15 1.02 0.00 -2.10 0.00 0.00 70.33 69.60 3jyh n THR 126 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3jyh h GLU 127 N 1.22 0.00 -0.65 -0.78 4.11 -1.91 -0.57 114.58 115.99 3jyh h GLU 127 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3jyh h GLU 127 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3jyh h GLU 127 CO 0.00 0.01 0.00 1.28 0.07 0.00 0.00 179.01 180.37 3jyh n LEU 128 N -3.56 3.54 -4.39 3.06 4.77 -1.26 -4.82 117.00 114.34 3jyh n LEU 128 Ca -0.03 -1.75 -0.44 0.00 -0.03 0.00 0.00 56.01 53.75 3jyh n LEU 128 Cb 0.09 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 3jyh n LEU 128 CO 0.25 0.88 0.53 -0.22 -1.33 0.00 0.00 177.39 177.50 3jyh s LEU 129 N -1.03 5.29 0.13 2.23 2.96 -0.23 -4.83 118.68 123.20 3jyh s LEU 129 Ca 0.44 -1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 52.77 3jyh s LEU 129 Cb 0.23 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3jyh s LEU 129 CO 0.30 -1.12 0.16 0.42 -1.32 0.00 0.00 176.35 174.79 3jyh s THR 130 N 2.73 0.10 0.19 3.68 -4.23 -1.26 -4.84 115.64 112.01 3jyh s THR 130 Ca 0.16 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 3jyh s THR 130 Cb -0.20 -1.82 0.10 0.00 1.34 0.00 0.00 72.50 71.92 3jyh s THR 130 CO 0.04 -0.46 1.81 0.58 -0.54 0.00 0.00 174.62 176.05 3jyh h VAL 131 N 2.73 1.02 -0.58 2.29 2.07 -1.99 -2.41 116.25 119.39 3jyh h VAL 131 Ca -0.33 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3jyh h VAL 131 Cb 1.21 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3jyh h VAL 131 CO 0.55 0.12 0.13 -0.33 0.02 0.00 0.00 177.57 178.06 3jyh h GLU 132 N 0.66 0.93 -0.40 1.57 3.07 -1.98 -0.19 114.58 118.23 3jyh h GLU 132 Ca 0.25 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3jyh h GLU 132 Cb 0.08 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3jyh h GLU 132 CO -0.13 0.86 0.25 1.96 -1.40 0.00 0.00 179.01 180.55 3jyh h GLN 133 N 0.83 0.54 -0.69 2.33 1.08 -1.87 -2.10 115.11 115.23 3jyh h GLN 133 Ca 0.18 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3jyh h GLN 133 Cb 0.36 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.64 3jyh h GLN 133 CO 0.00 0.39 0.34 0.00 -0.95 0.00 0.00 178.83 178.62 3jyh h ALA 134 N 1.12 0.89 -0.60 3.87 0.00 -1.04 -0.85 119.26 122.64 3jyh h ALA 134 Ca 0.14 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3jyh h ALA 134 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3jyh h ALA 134 CO -0.03 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 3jyh h LEU 135 N 0.96 1.02 -1.02 0.00 3.38 -0.93 -2.15 115.31 116.58 3jyh h LEU 135 Ca 0.24 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3jyh h LEU 135 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3jyh h LEU 135 CO -0.03 1.07 -0.29 0.00 0.09 0.00 0.00 178.44 179.28 3jyh h ALA 136 N 1.03 1.17 0.03 1.53 0.00 -1.17 0.36 119.26 122.21 3jyh h ALA 136 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3jyh h ALA 136 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3jyh h ALA 136 CO 0.03 0.53 -0.11 -0.44 0.00 0.00 0.00 179.25 179.26 3jyh h ASP 137 N 0.31 -0.31 -0.90 0.00 3.32 -0.82 -1.32 116.42 116.71 3jyh h ASP 137 Ca 0.04 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3jyh h ASP 137 Cb 0.67 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3jyh h ASP 137 CO 0.05 -0.16 0.59 -0.26 -1.72 0.00 0.00 179.24 177.74 3jyh h PHE 138 N -0.20 1.13 -0.31 4.55 0.04 -0.74 -0.08 116.94 121.33 3jyh h PHE 138 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3jyh h PHE 138 Cb 0.23 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3jyh h PHE 138 CO -0.16 0.71 0.16 0.00 -0.60 0.00 0.00 178.31 178.43 3jyh h ALA 139 N 1.33 0.40 -0.47 2.45 0.00 -0.74 -1.51 119.26 120.72 3jyh h ALA 139 Ca 0.33 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3jyh h ALA 139 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3jyh h ALA 139 CO -0.07 -0.05 -0.15 0.93 0.00 0.00 0.00 179.25 179.90 3jyh h GLU 140 N 0.38 0.93 -0.27 0.00 5.08 -0.94 -2.15 114.58 117.62 3jyh h GLU 140 Ca 0.11 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3jyh h GLU 140 Cb 0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3jyh h GLU 140 CO -0.02 1.04 -0.09 1.25 -1.00 0.00 0.00 179.01 180.19 3jyh h LEU 141 N 0.78 -0.32 -0.88 1.33 5.85 -0.96 -1.61 115.31 119.50 3jyh h LEU 141 Ca 0.11 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3jyh h LEU 141 Cb 0.72 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3jyh h LEU 141 CO 0.05 -0.12 0.54 0.25 -0.34 0.00 0.00 178.44 178.83 3jyh h LEU 142 N -0.04 1.05 -0.67 2.25 5.85 -1.17 0.14 115.31 122.73 3jyh h LEU 142 Ca 0.13 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3jyh h LEU 142 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3jyh h LEU 142 CO -0.30 0.80 0.19 0.03 -0.34 0.00 0.00 178.44 178.82 3jyh h ARG 143 N 1.21 1.05 -0.52 1.25 3.08 -1.25 -1.46 114.38 117.74 3jyh h ARG 143 Ca 0.32 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3jyh h ARG 143 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3jyh h ARG 143 CO -0.06 0.93 0.03 0.00 -1.07 0.00 0.00 179.97 179.80 3jyh h ALA 144 N 1.08 0.70 -0.44 0.04 0.00 -0.71 -1.78 119.26 118.16 3jyh h ALA 144 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3jyh h ALA 144 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3jyh h ALA 144 CO -0.00 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.85 3jyh h LEU 145 N 0.78 0.59 -0.42 0.00 3.38 -0.69 -0.47 115.31 118.48 3jyh h LEU 145 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jyh h LEU 145 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3jyh h LEU 145 CO 0.02 0.58 0.22 0.03 0.09 0.00 0.00 178.44 179.39 3jyh h ARG 146 N 0.56 0.59 0.30 1.13 3.08 -1.14 -2.12 114.38 116.77 3jyh h ARG 146 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3jyh h ARG 146 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3jyh h ARG 146 CO -0.01 0.48 -0.14 0.00 -1.07 0.00 0.00 179.97 179.22 3jyh h ARG 147 N 0.54 -0.39 0.00 0.04 3.08 -1.22 0.35 114.38 116.79 3jyh h ARG 147 Ca 0.15 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3jyh h ARG 147 Cb 0.07 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3jyh h ARG 147 CO -0.02 -0.18 -0.12 -0.44 -1.07 0.00 0.00 179.97 178.14 3jyh h ASP 148 N -0.53 0.00 -0.02 7.04 5.19 -1.08 -2.39 116.42 124.62 3jyh h ASP 148 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3jyh h ASP 148 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3jyh h ASP 148 CO 0.07 0.12 -0.08 0.18 -3.12 0.00 0.00 179.24 176.41 3jyh n LEU 149 N -3.60 2.60 -3.64 1.55 4.77 -0.80 -4.98 117.00 112.91 3jyh n LEU 149 Ca -0.02 -0.95 -0.24 0.00 -0.03 0.00 0.00 56.01 54.77 3jyh n LEU 149 Cb 0.25 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3jyh n LEU 149 CO 0.30 0.45 -0.07 0.61 -1.33 0.00 0.00 177.39 177.35 3jyh n GLY 150 N 1.23 -0.66 2.41 -0.72 0.00 -0.90 -4.93 105.19 101.61 3jyh n GLY 150 Ca 0.12 0.31 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 3jyh n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n ALA 151 N -4.08 4.22 0.27 4.61 0.00 0.12 -4.88 120.51 120.77 3jyh n ALA 151 Ca -0.20 -3.56 0.16 0.00 0.00 0.00 0.00 53.44 49.84 3jyh n ALA 151 Cb 0.64 -0.59 0.74 0.00 0.00 0.00 0.00 19.45 20.24 3jyh n ALA 151 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3jyh h GLN 152 N 2.48 0.00 -0.01 0.00 7.50 -1.92 -2.24 115.11 120.91 3jyh h GLN 152 Ca 0.17 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.32 3jyh h GLN 152 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.82 3jyh h GLN 152 CO 0.60 0.08 -0.46 -0.25 -1.50 0.00 0.00 178.83 177.30 3jyh n ASP 153 N -3.30 1.79 -4.64 1.46 8.00 -1.26 -4.94 116.55 113.67 3jyh n ASP 153 Ca -0.01 -1.37 -0.43 0.00 0.71 0.00 0.00 54.79 53.69 3jyh n ASP 153 Cb 0.27 0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 3jyh n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jyh s ALA 154 N -2.51 3.51 0.50 2.24 0.00 -0.85 -4.89 121.76 119.75 3jyh s ALA 154 Ca 0.19 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.05 3jyh s ALA 154 Cb 0.18 -3.69 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3jyh s ALA 154 CO 0.58 -1.47 1.32 -2.14 0.00 0.00 0.00 175.76 174.04 3jyh s PRO 155 N 3.75 3.45 -0.07 0.00 0.02 -1.26 -4.73 135.00 136.16 3jyh s PRO 155 Ca 0.51 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.73 3jyh s PRO 155 Cb -0.16 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 3jyh s PRO 155 CO 0.17 -0.91 -0.19 0.00 -0.33 0.00 0.00 177.00 175.74 3jyh s ALA 156 N -1.33 2.44 -0.13 -1.55 0.00 -1.26 -0.68 121.76 119.26 3jyh s ALA 156 Ca 0.66 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.65 3jyh s ALA 156 Cb -0.38 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 3jyh s ALA 156 CO 0.46 0.43 -0.17 0.42 0.00 0.00 0.00 175.76 176.91 3jyh s ILE 157 N -0.27 2.65 0.16 0.00 -1.09 0.01 0.05 121.20 122.71 3jyh s ILE 157 Ca 0.01 -0.80 -0.21 0.00 -2.23 0.00 0.00 60.65 57.42 3jyh s ILE 157 Cb -0.13 -2.09 -0.08 0.00 -1.58 0.00 0.00 42.46 38.59 3jyh s ILE 157 CO 0.03 0.53 0.69 0.00 -1.23 0.00 0.00 174.94 174.96 3jyh s ALA 158 N 0.45 3.48 0.02 9.38 0.00 -0.34 -0.96 121.76 133.80 3jyh s ALA 158 Ca -0.12 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.04 3jyh s ALA 158 Cb -0.16 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3jyh s ALA 158 CO 0.05 0.35 -0.12 -0.06 0.00 0.00 0.00 175.76 175.98 3jyh s PHE 159 N -1.30 1.03 -0.16 0.00 0.08 0.02 -0.37 117.98 117.27 3jyh s PHE 159 Ca 0.37 -0.30 -0.31 0.00 0.12 0.00 0.00 56.93 56.81 3jyh s PHE 159 Cb -0.19 -0.63 0.14 0.00 -0.57 0.00 0.00 43.02 41.77 3jyh s PHE 159 CO 0.22 0.00 1.10 0.20 -0.10 0.00 0.00 175.22 176.64 3jyh s GLY 160 N -0.85 -0.24 0.07 4.36 0.00 -0.89 -1.50 107.32 108.28 3jyh s GLY 160 Ca 0.01 1.90 0.09 0.00 0.00 0.00 0.00 44.72 46.72 3jyh s GLY 160 CO 0.01 0.80 -0.24 -0.32 0.00 0.00 0.00 173.10 173.34 3jyh s GLY 161 N -1.60 1.50 0.00 0.20 0.00 -1.26 -1.20 107.32 104.96 3jyh s GLY 161 Ca 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.45 3jyh s GLY 161 CO -0.04 -1.23 0.00 -1.26 0.00 0.00 0.00 173.10 170.57 3jyh n SER 162 N 1.44 0.00 -0.31 1.64 2.88 0.03 -0.06 113.62 119.23 3jyh n SER 162 Ca -0.17 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.60 3jyh n SER 162 Cb 0.52 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.51 3jyh n SER 162 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3jyh h TYR 163 N 0.00 0.58 -0.58 0.66 3.20 -1.90 0.20 116.97 119.13 3jyh h TYR 163 Ca 0.00 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3jyh h TYR 163 Cb 0.00 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3jyh h TYR 163 CO 0.00 0.07 0.39 0.78 -1.64 0.00 0.00 178.16 177.76 3jyh h GLY 164 N 0.36 0.62 1.80 1.82 0.00 -0.73 -2.18 103.07 104.76 3jyh h GLY 164 Ca 0.57 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 3jyh h GLY 164 CO -0.25 0.13 -0.71 -1.33 0.00 0.00 0.00 176.54 174.38 3jyh h GLY 165 N 0.47 0.21 0.66 4.60 0.00 -0.26 -1.52 103.07 107.23 3jyh h GLY 165 Ca 0.26 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3jyh h GLY 165 CO -0.07 0.28 0.05 -0.33 0.00 0.00 0.00 176.54 176.46 3jyh h MET 166 N 0.13 0.14 -0.77 4.80 2.07 -1.05 -2.13 114.93 118.13 3jyh h MET 166 Ca -0.02 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 3jyh h MET 166 Cb 1.27 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.93 3jyh h MET 166 CO 0.11 0.10 0.32 -0.07 1.07 0.00 0.00 176.91 178.43 3jyh h LEU 167 N 0.15 1.05 -0.10 1.22 3.38 -1.23 0.25 115.31 120.03 3jyh h LEU 167 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3jyh h LEU 167 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3jyh h LEU 167 CO -0.18 0.92 0.05 0.28 0.09 0.00 0.00 178.44 179.60 3jyh h SER 168 N 1.10 0.13 0.00 -0.43 0.02 -1.24 0.34 113.55 113.47 3jyh h SER 168 Ca 0.26 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3jyh h SER 168 Cb 0.19 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3jyh h SER 168 CO -0.02 0.20 -0.00 0.00 -1.14 0.00 0.00 176.83 175.87 3jyh h ALA 169 N 0.93 -0.00 -0.50 3.77 0.00 -1.02 -2.25 119.26 120.19 3jyh h ALA 169 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jyh h ALA 169 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3jyh h ALA 169 CO -0.00 -0.47 0.25 1.88 0.00 0.00 0.00 179.25 180.91 3jyh h TYR 170 N -0.05 0.67 -0.46 0.00 0.05 -0.37 0.11 116.97 116.93 3jyh h TYR 170 Ca -0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3jyh h TYR 170 Cb 0.05 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 3jyh h TYR 170 CO -0.06 0.48 0.07 1.25 -1.05 0.00 0.00 178.16 178.86 3jyh h LEU 171 N 0.69 0.72 -0.65 3.88 5.85 -0.17 -1.02 115.31 124.61 3jyh h LEU 171 Ca 0.18 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 3jyh h LEU 171 Cb 0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3jyh h LEU 171 CO -0.03 0.80 0.02 -0.09 -0.34 0.00 0.00 178.44 178.81 3jyh h ARG 172 N 0.62 1.07 -0.61 1.25 9.65 -0.75 0.25 114.38 125.87 3jyh h ARG 172 Ca 0.14 -0.33 -0.07 0.00 -1.10 0.00 0.00 59.98 58.62 3jyh h ARG 172 Cb 0.38 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3jyh h ARG 172 CO 0.01 1.03 0.09 0.52 2.80 0.00 0.00 179.97 184.42 3jyh h MET 173 N 0.99 1.01 0.00 0.20 2.86 -0.62 -3.14 114.93 116.23 3jyh h MET 173 Ca 0.18 -0.28 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 3jyh h MET 173 Cb 0.53 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3jyh h MET 173 CO 0.03 0.95 -1.75 1.63 1.06 0.00 0.00 176.91 178.84 3jyh n LYS 174 N -4.28 0.64 -2.94 1.72 4.76 -0.40 -4.53 118.16 113.13 3jyh n LYS 174 Ca 0.03 0.07 -0.20 0.00 -2.87 0.00 0.00 58.31 55.34 3jyh n LYS 174 Cb 0.29 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 3jyh n LYS 174 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3jyh n TYR 175 N -2.71 1.83 0.54 2.13 4.01 0.07 -4.92 117.16 118.11 3jyh n TYR 175 Ca -0.13 -3.61 0.10 0.00 -0.16 0.00 0.00 57.90 54.10 3jyh n TYR 175 Cb 0.84 -0.39 0.42 0.00 -0.31 0.00 0.00 39.34 39.89 3jyh n TYR 175 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3jyh n PRO 176 N -0.02 0.09 0.09 -0.72 -0.04 -1.18 -1.35 135.00 131.86 3jyh n PRO 176 Ca 0.26 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 3jyh n PRO 176 Cb 0.61 -1.65 0.45 0.00 -0.04 0.00 0.00 33.50 32.87 3jyh n PRO 176 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3jyh n HIS 177 N -1.81 0.71 -0.03 0.54 1.44 -1.26 -3.94 115.22 110.87 3jyh n HIS 177 Ca 0.04 0.23 -0.01 0.00 -2.01 0.00 0.00 57.72 55.96 3jyh n HIS 177 Cb 0.23 -0.87 -0.08 0.00 0.12 0.00 0.00 29.99 29.40 3jyh n HIS 177 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3jyh n LEU 178 N -2.10 0.00 -4.01 2.39 4.77 -0.46 -4.96 117.00 112.63 3jyh n LEU 178 Ca 0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 3jyh n LEU 178 Cb 0.36 0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 3jyh n LEU 178 CO 0.26 0.15 -0.45 0.68 -1.33 0.00 0.00 177.39 176.71 3jyh s VAL 179 N -2.38 0.96 -0.99 4.08 -7.23 -0.82 -4.44 120.40 109.59 3jyh s VAL 179 Ca -0.04 -0.41 0.27 0.00 -1.81 0.00 0.00 61.98 59.99 3jyh s VAL 179 Cb 0.04 -0.88 0.15 0.00 0.56 0.00 0.00 36.38 36.26 3jyh s VAL 179 CO 0.40 0.31 1.73 0.00 -0.31 0.00 0.00 175.10 177.22 3jyh n ALA 180 N 3.59 2.77 0.00 1.32 0.00 0.11 -4.48 120.51 123.82 3jyh n ALA 180 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3jyh n ALA 180 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3jyh n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyh n GLY 181 N 1.49 0.59 2.98 0.00 0.00 -1.24 -4.85 105.19 104.17 3jyh n GLY 181 Ca 0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 3jyh n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh s ALA 182 N -2.00 -0.31 -0.35 4.61 0.00 -0.40 -1.19 121.76 122.12 3jyh s ALA 182 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 3jyh s ALA 182 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3jyh s ALA 182 CO 0.00 -0.09 0.21 -1.17 0.00 0.00 0.00 175.76 174.71 3jyh s LEU 183 N 0.37 4.53 -0.61 0.00 2.96 0.50 -1.32 118.68 125.11 3jyh s LEU 183 Ca -0.03 -0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 53.06 3jyh s LEU 183 Cb -0.04 -2.05 0.16 0.00 0.50 0.00 0.00 46.19 44.75 3jyh s LEU 183 CO -0.02 -0.30 0.49 0.00 -1.32 0.00 0.00 176.35 175.21 3jyh s ALA 184 N 1.62 3.65 -0.10 5.97 0.00 0.40 -2.09 121.76 131.20 3jyh s ALA 184 Ca 0.04 -2.91 -0.17 0.00 0.00 0.00 0.00 51.96 48.92 3jyh s ALA 184 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3jyh s ALA 184 CO 0.08 -2.06 0.46 0.00 0.00 0.00 0.00 175.76 174.23 3jyh s ALA 185 N 0.75 3.51 -1.39 0.00 0.00 -0.34 -2.12 121.76 122.17 3jyh s ALA 185 Ca 0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 3jyh s ALA 185 Cb -0.21 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.31 3jyh s ALA 185 CO -0.03 0.08 0.39 0.43 0.00 0.00 0.00 175.76 176.62 3jyh n SER 186 N 3.39 -0.93 -4.32 0.00 7.64 0.11 -0.79 113.62 118.72 3jyh n SER 186 Ca -0.08 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.28 3jyh n SER 186 Cb 0.52 -2.63 -0.09 0.00 -1.01 0.00 0.00 64.21 60.99 3jyh n SER 186 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jyh s ALA 187 N -3.97 3.37 -1.39 -0.43 0.00 -1.26 -2.97 121.76 115.11 3jyh s ALA 187 Ca 0.10 -2.08 -0.08 0.00 0.00 0.00 0.00 51.96 49.90 3jyh s ALA 187 Cb -0.04 -2.77 0.08 0.00 0.00 0.00 0.00 23.12 20.38 3jyh s ALA 187 CO 0.92 -1.64 2.39 -0.35 0.00 0.00 0.00 175.76 177.09 3jyh n PRO 188 N 5.01 4.06 0.25 0.00 -0.04 -1.26 -4.41 135.00 138.62 3jyh n PRO 188 Ca -0.11 -3.13 0.12 0.00 -0.04 0.00 0.00 63.50 60.34 3jyh n PRO 188 Cb 0.44 -2.78 0.66 0.00 -0.04 0.00 0.00 33.50 31.77 3jyh n PRO 188 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3jyh h VAL 189 N 3.04 0.51 0.02 0.52 -1.51 -1.88 -2.52 116.25 114.43 3jyh h VAL 189 Ca 0.67 -0.71 -0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3jyh h VAL 189 Cb 0.39 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 3jyh h VAL 189 CO 1.61 0.14 -0.01 -0.07 -1.23 0.00 0.00 177.57 178.01 3jyh h LEU 190 N 0.00 -0.03 -0.97 4.19 3.38 -1.51 -3.29 115.31 117.09 3jyh h LEU 190 Ca -0.00 -0.70 0.04 0.00 0.09 0.00 0.00 57.88 57.31 3jyh h LEU 190 Cb 0.47 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3jyh h LEU 190 CO 0.02 0.77 0.63 0.00 0.09 0.00 0.00 178.44 179.95 3jyh h ALA 191 N -0.13 1.29 0.00 1.53 0.00 -1.06 -1.57 119.26 119.33 3jyh h ALA 191 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3jyh h ALA 191 Cb 0.72 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3jyh h ALA 191 CO 0.01 0.49 -0.04 -0.39 0.00 0.00 0.00 179.25 179.32 3jyh h VAL 192 N 1.20 0.08 -0.05 0.00 -1.51 -1.60 -1.79 116.25 112.58 3jyh h VAL 192 Ca 0.39 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3jyh h VAL 192 Cb 0.04 1.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3jyh h VAL 192 CO -0.13 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 176.24 3jyh n ALA 193 N -2.11 2.58 -0.90 5.19 0.00 -0.96 -1.71 120.51 122.59 3jyh n ALA 193 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3jyh n ALA 193 Cb 0.37 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3jyh n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyh n GLY 194 N 1.12 0.48 3.89 0.00 0.00 -0.67 -4.43 105.19 105.57 3jyh n GLY 194 Ca 0.19 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3jyh n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jyh s LEU 195 N 0.00 4.31 0.00 0.99 1.43 -0.63 -4.98 118.68 119.81 3jyh s LEU 195 Ca 0.00 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 3jyh s LEU 195 Cb 0.00 -3.07 0.00 0.00 0.03 0.00 0.00 46.19 43.15 3jyh s LEU 195 CO 0.00 0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.32 3jyh n GLY 196 N 0.52 -1.82 3.65 -3.19 0.00 -1.26 -3.87 105.19 99.22 3jyh n GLY 196 Ca -0.06 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3jyh n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyh s ASP 197 N -4.00 5.60 0.00 1.61 -1.08 -1.26 -4.97 116.67 112.57 3jyh s ASP 197 Ca 0.00 0.11 0.19 0.00 -0.52 0.00 0.00 52.55 52.33 3jyh s ASP 197 Cb 0.00 -1.91 0.84 0.00 -1.46 0.00 0.00 42.92 40.39 3jyh s ASP 197 CO 0.00 0.22 1.61 -1.54 0.52 0.00 0.00 175.17 175.97 3jyh n SER 198 N 3.26 0.00 -0.34 -0.34 3.41 -1.26 -1.69 113.62 116.65 3jyh n SER 198 Ca -0.17 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3jyh n SER 198 Cb 0.53 -0.47 0.37 0.00 -0.26 0.00 0.00 64.21 64.37 3jyh n SER 198 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jyh n ASN 199 N -1.47 1.29 0.02 4.04 3.02 -1.26 -1.26 115.26 119.63 3jyh n ASN 199 Ca 0.05 -1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 3jyh n ASN 199 Cb 0.21 0.13 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3jyh n ASN 199 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3jyh h GLN 200 N 1.69 0.06 0.27 3.52 -0.00 -1.64 -2.52 115.11 116.49 3jyh h GLN 200 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 3jyh h GLN 200 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 3jyh h GLN 200 CO 0.00 0.07 -0.21 0.35 0.00 0.00 0.00 178.83 179.04 3jyh h PHE 201 N 0.04 -0.54 0.00 3.99 3.57 -1.80 -1.15 116.94 121.05 3jyh h PHE 201 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3jyh h PHE 201 Cb 0.02 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3jyh h PHE 201 CO -0.07 -0.31 -0.10 0.74 -2.23 0.00 0.00 178.31 176.34 3jyh h PHE 202 N -0.48 0.00 -0.50 0.41 0.04 -1.78 -1.05 116.94 113.57 3jyh h PHE 202 Ca -0.02 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 3jyh h PHE 202 Cb 0.42 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 3jyh h PHE 202 CO -0.12 0.10 0.04 -0.09 -0.60 0.00 0.00 178.31 177.64 3jyh h ARG 203 N 0.00 0.85 -0.29 1.51 2.43 -1.20 -2.01 114.38 115.67 3jyh h ARG 203 Ca -0.00 -0.25 -0.19 0.00 -0.81 0.00 0.00 59.98 58.73 3jyh h ARG 203 Cb 0.79 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3jyh h ARG 203 CO 0.01 0.87 -0.55 -0.44 -1.51 0.00 0.00 179.97 178.35 3jyh h ASP 204 N 0.72 0.99 -0.24 -3.80 3.32 -0.61 0.34 116.42 117.14 3jyh h ASP 204 Ca 0.15 -0.53 0.06 0.00 0.02 0.00 0.00 57.03 56.72 3jyh h ASP 204 Cb 0.46 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.66 3jyh h ASP 204 CO 0.02 1.34 -0.17 0.58 -1.72 0.00 0.00 179.24 179.29 3jyh h VAL 205 N 0.68 0.53 -0.55 -1.35 2.07 -1.25 -1.99 116.25 114.38 3jyh h VAL 205 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3jyh h VAL 205 Cb 1.17 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3jyh h VAL 205 CO 0.12 0.00 0.28 0.74 0.02 0.00 0.00 177.57 178.73 3jyh h THR 206 N -0.16 0.93 -0.96 2.57 2.02 -1.10 -1.81 112.91 114.39 3jyh h THR 206 Ca 0.13 -0.18 0.13 0.00 0.77 0.00 0.00 66.41 67.27 3jyh h THR 206 Cb 0.36 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 67.04 3jyh h THR 206 CO -0.33 0.10 0.59 0.00 0.37 0.00 0.00 175.52 176.24 3jyh h ALA 207 N 1.31 1.48 -0.51 6.16 0.00 -0.64 -0.26 119.26 126.80 3jyh h ALA 207 Ca 0.25 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3jyh h ALA 207 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3jyh h ALA 207 CO -0.18 0.12 0.30 -0.44 0.00 0.00 0.00 179.25 179.05 3jyh h ASP 208 N 0.88 0.49 -0.05 0.00 5.19 -0.58 0.14 116.42 122.49 3jyh h ASP 208 Ca 0.50 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.72 3jyh h ASP 208 Cb 0.58 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3jyh h ASP 208 CO -0.30 0.34 -0.69 -0.26 -3.12 0.00 0.00 179.24 175.22 3jyh h PHE 209 N 0.60 0.89 -0.35 4.55 0.04 -1.17 -2.49 116.94 119.01 3jyh h PHE 209 Ca 0.21 -0.37 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 3jyh h PHE 209 Cb 0.03 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3jyh h PHE 209 CO -0.07 1.16 0.21 1.49 -0.60 0.00 0.00 178.31 180.50 3jyh h GLU 210 N 0.48 0.47 -0.91 1.51 4.57 -0.93 0.51 114.58 120.29 3jyh h GLU 210 Ca -0.02 -0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.21 3jyh h GLU 210 Cb 1.29 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 29.71 3jyh h GLU 210 CO 0.14 0.36 0.59 0.78 -1.18 0.00 0.00 179.01 179.70 3jyh h GLY 211 N 0.45 1.34 0.52 1.92 0.00 -0.69 -2.16 103.07 104.44 3jyh h GLY 211 Ca 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 3jyh h GLY 211 CO -0.02 0.20 -0.01 -1.61 0.00 0.00 0.00 176.54 175.10 3jyh h GLN 212 N 0.90 -0.02 -1.03 4.80 5.75 -0.96 -3.47 115.11 121.08 3jyh h GLN 212 Ca 0.43 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 59.08 3jyh h GLN 212 Cb 0.43 0.00 -0.22 0.00 1.07 0.00 0.00 27.48 28.77 3jyh h GLN 212 CO -0.19 0.46 0.02 0.45 -2.65 0.00 0.00 178.83 176.92 3jyh s SER 213 N -5.66 -0.84 0.56 -0.69 0.15 0.12 -5.02 113.70 102.32 3jyh s SER 213 Ca -0.16 0.84 0.24 0.00 0.70 0.00 0.00 55.95 57.57 3jyh s SER 213 Cb 0.02 1.83 1.53 0.00 -1.71 0.00 0.00 66.02 67.69 3jyh s SER 213 CO 0.66 -0.16 2.16 -0.65 1.20 0.00 0.00 173.24 176.45 3jyh h PRO 214 N 7.82 0.00 -0.26 5.44 0.11 -1.77 -1.42 132.00 141.92 3jyh h PRO 214 Ca -0.17 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.81 3jyh h PRO 214 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3jyh h PRO 214 CO 0.09 0.00 -0.38 0.87 -0.21 0.00 0.00 178.00 178.36 3jyh h LYS 215 N 0.00 0.59 0.14 1.05 1.57 -1.93 -2.69 116.57 115.30 3jyh h LYS 215 Ca 0.04 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3jyh h LYS 215 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3jyh h LYS 215 CO -0.00 0.88 -0.07 0.00 -0.57 0.00 0.00 179.45 179.69 3jyh h THR 217 N -0.36 0.86 -0.70 0.00 2.02 -1.52 0.15 112.91 113.35 3jyh h THR 217 Ca -0.02 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 3jyh h THR 217 Cb 0.29 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3jyh h THR 217 CO 0.03 0.11 0.30 -0.61 0.37 0.00 0.00 175.52 175.72 3jyh h GLN 218 N 0.63 1.04 -0.74 6.66 5.75 -1.43 -1.41 115.11 125.60 3jyh h GLN 218 Ca 0.35 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3jyh h GLN 218 Cb 0.36 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 3jyh h GLN 218 CO -0.26 0.84 0.37 0.78 -2.65 0.00 0.00 178.83 177.91 3jyh h GLY 219 N 0.99 1.12 0.95 2.39 0.00 -0.47 -0.57 103.07 107.48 3jyh h GLY 219 Ca 0.24 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3jyh h GLY 219 CO -0.02 0.51 0.04 -2.08 0.00 0.00 0.00 176.54 174.99 3jyh h VAL 220 N 1.02 1.06 -0.54 4.60 2.07 -0.59 -0.24 116.25 123.63 3jyh h VAL 220 Ca 0.26 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3jyh h VAL 220 Cb 0.09 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 3jyh h VAL 220 CO -0.04 0.05 0.28 0.03 0.02 0.00 0.00 177.57 177.91 3jyh h ARG 221 N 0.05 0.52 -0.11 1.57 3.08 -1.08 -1.43 114.38 116.98 3jyh h ARG 221 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jyh h ARG 221 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3jyh h ARG 221 CO -0.00 0.34 0.06 0.93 -1.07 0.00 0.00 179.97 180.23 3jyh h GLU 222 N 0.53 0.12 -0.26 0.04 5.08 -1.01 -0.10 114.58 118.99 3jyh h GLU 222 Ca 0.24 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.65 3jyh h GLU 222 Cb 0.15 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3jyh h GLU 222 CO -0.17 0.08 -0.13 0.00 -1.00 0.00 0.00 179.01 177.80 3jyh h ALA 223 N 1.05 0.08 -0.80 3.43 0.00 -0.79 0.43 119.26 122.67 3jyh h ALA 223 Ca 0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3jyh h ALA 223 Cb -0.00 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3jyh h ALA 223 CO -0.02 -0.53 0.45 0.74 0.00 0.00 0.00 179.25 179.88 3jyh h PHE 224 N -0.09 1.08 -0.62 0.00 0.04 -1.05 -2.19 116.94 114.10 3jyh h PHE 224 Ca 0.14 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 3jyh h PHE 224 Cb 0.30 -0.35 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3jyh h PHE 224 CO -0.31 0.75 0.23 -0.09 -0.60 0.00 0.00 178.31 178.29 3jyh h ARG 225 N 1.10 0.95 -0.50 1.51 2.43 -0.63 -1.87 114.38 117.37 3jyh h ARG 225 Ca 0.28 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3jyh h ARG 225 Cb 0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3jyh h ARG 225 CO -0.05 0.82 0.32 1.96 -1.51 0.00 0.00 179.97 181.51 3jyh h GLN 226 N 0.88 0.64 -0.49 0.20 4.20 -0.66 -0.44 115.11 119.44 3jyh h GLN 226 Ca 0.21 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3jyh h GLN 226 Cb 0.24 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3jyh h GLN 226 CO -0.01 0.42 0.12 0.82 -0.67 0.00 0.00 178.83 179.51 3jyh h ILE 227 N 0.66 1.24 -0.16 2.54 2.04 -1.24 -0.12 117.51 122.47 3jyh h ILE 227 Ca 0.19 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3jyh h ILE 227 Cb -0.06 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3jyh h ILE 227 CO -0.05 0.30 0.08 0.50 0.00 0.00 0.00 178.15 178.98 3jyh h LYS 228 N 0.67 0.16 -0.59 2.37 3.64 -1.15 -1.48 116.57 120.20 3jyh h LYS 228 Ca 0.15 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3jyh h LYS 228 Cb 0.32 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3jyh h LYS 228 CO 0.00 0.11 0.30 -0.44 -2.27 0.00 0.00 179.45 177.15 3jyh h ASP 229 N 0.16 0.43 -0.62 4.20 3.32 -0.78 -0.93 116.42 122.20 3jyh h ASP 229 Ca 0.06 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3jyh h ASP 229 Cb 0.01 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3jyh h ASP 229 CO -0.04 0.28 0.30 -0.07 -1.72 0.00 0.00 179.24 177.99 3jyh h LEU 230 N 0.57 0.82 -1.06 1.55 3.38 -0.83 -1.56 115.31 118.18 3jyh h LEU 230 Ca 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3jyh h LEU 230 Cb 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3jyh h LEU 230 CO -0.18 0.71 0.45 -0.26 0.09 0.00 0.00 178.44 179.25 3jyh h PHE 231 N 0.86 1.08 -0.37 1.13 0.04 -0.69 0.14 116.94 119.14 3jyh h PHE 231 Ca 0.21 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.87 3jyh h PHE 231 Cb 0.11 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3jyh h PHE 231 CO 0.00 0.74 -0.19 -0.07 -0.60 0.00 0.00 178.31 178.20 3jyh h LEU 232 N 1.11 0.69 -0.72 1.54 3.38 -0.81 -2.16 115.31 118.35 3jyh h LEU 232 Ca 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3jyh h LEU 232 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3jyh h LEU 232 CO -0.05 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3jyh n GLN 233 N -4.14 1.44 -1.35 1.13 10.64 -0.62 -4.89 117.38 119.59 3jyh n GLN 233 Ca 0.00 -0.60 -0.12 0.00 -1.83 0.00 0.00 57.00 54.45 3jyh n GLN 233 Cb 0.40 -1.19 -0.05 0.00 -0.86 0.00 0.00 30.24 28.53 3jyh n GLN 233 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3jyh n GLY 234 N 0.69 1.30 2.42 2.61 0.00 -0.81 -4.92 105.19 106.48 3jyh n GLY 234 Ca 0.06 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3jyh n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n ALA 235 N 1.22 6.95 -0.09 4.61 0.00 0.46 -4.72 120.51 128.94 3jyh n ALA 235 Ca -0.12 -3.78 -0.11 0.00 0.00 0.00 0.00 53.44 49.43 3jyh n ALA 235 Cb 0.41 -2.84 -0.04 0.00 0.00 0.00 0.00 19.45 16.99 3jyh n ALA 235 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3jyh h TYR 236 N 4.48 0.54 -0.96 0.00 0.05 -1.88 -2.92 116.97 116.28 3jyh h TYR 236 Ca 0.70 -0.10 0.10 0.00 0.05 0.00 0.00 58.73 59.47 3jyh h TYR 236 Cb 0.38 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 37.91 3jyh h TYR 236 CO 1.67 0.66 0.60 -0.44 -1.05 0.00 0.00 178.16 179.60 3jyh h ASP 237 N 0.26 0.91 -0.43 3.88 3.32 -1.85 -0.92 116.42 121.60 3jyh h ASP 237 Ca 0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3jyh h ASP 237 Cb 0.45 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3jyh h ASP 237 CO 0.02 0.53 0.27 0.74 -1.72 0.00 0.00 179.24 179.07 3jyh h THR 238 N 1.01 1.13 -0.05 0.35 2.02 -1.91 -0.22 112.91 115.24 3jyh h THR 238 Ca 0.45 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3jyh h THR 238 Cb 0.35 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3jyh h THR 238 CO -0.23 0.12 0.01 0.58 0.37 0.00 0.00 175.52 176.37 3jyh h VAL 239 N 0.57 1.21 -0.34 3.16 2.07 -1.25 0.20 116.25 121.87 3jyh h VAL 239 Ca 0.15 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 67.09 3jyh h VAL 239 Cb -0.03 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 3jyh h VAL 239 CO -0.03 0.18 -0.37 -0.09 0.02 0.00 0.00 177.57 177.28 3jyh h ARG 240 N -0.17 -0.31 -0.01 1.57 2.43 -1.08 0.15 114.38 116.96 3jyh h ARG 240 Ca 0.01 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3jyh h ARG 240 Cb 0.28 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 3jyh h ARG 240 CO 0.00 -0.21 0.01 2.35 -1.51 0.00 0.00 179.97 180.61 3jyh h TRP 241 N -0.32 0.02 0.03 2.20 2.91 -0.93 0.34 115.95 120.19 3jyh h TRP 241 Ca 0.14 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 3jyh h TRP 241 Cb 0.56 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 3jyh h TRP 241 CO -0.54 0.12 -0.02 0.93 -1.03 0.00 0.00 178.44 177.91 3jyh h GLU 242 N -0.10 -0.04 0.00 2.65 4.39 -0.45 -3.25 114.58 117.79 3jyh h GLU 242 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3jyh h GLU 242 Cb 0.11 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3jyh h GLU 242 CO -0.00 0.53 -0.43 0.35 -1.16 0.00 0.00 179.01 178.29 3jyh h PHE 243 N -0.65 0.00 -0.94 4.33 3.57 -0.81 -3.41 116.94 119.04 3jyh h PHE 243 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3jyh h PHE 243 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3jyh h PHE 243 CO 0.13 0.43 0.00 0.41 -2.23 0.00 0.00 178.31 177.05 3jyh n GLY 244 N 0.29 0.71 3.80 2.40 0.00 0.11 -4.80 105.19 107.69 3jyh n GLY 244 Ca -0.00 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 3jyh n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyh s THR 245 N -2.41 4.37 0.16 2.61 -4.23 -0.65 0.83 115.64 116.32 3jyh s THR 245 Ca 0.00 1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 61.96 3jyh s THR 245 Cb 0.00 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 70.00 3jyh s THR 245 CO 0.00 0.04 1.59 0.00 -0.54 0.00 0.00 174.62 175.71 3jyh s GLN 247 N -4.88 3.93 0.73 0.00 1.11 -1.26 -5.06 119.66 114.23 3jyh s GLN 247 Ca -0.12 0.52 -0.14 0.00 0.01 0.00 0.00 55.36 55.62 3jyh s GLN 247 Cb 0.12 -2.54 0.04 0.00 -1.01 0.00 0.00 33.01 29.62 3jyh s GLN 247 CO 0.85 0.24 1.18 -1.25 0.01 0.00 0.00 175.29 176.31 3jyh s PRO 248 N -2.86 2.19 0.07 2.91 0.04 -1.26 -4.92 135.00 131.17 3jyh s PRO 248 Ca 0.51 1.64 0.09 0.00 0.04 0.00 0.00 61.00 63.28 3jyh s PRO 248 Cb -0.11 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3jyh s PRO 248 CO 0.19 -1.77 -0.25 -0.51 0.04 0.00 0.00 177.00 174.70 3jyh s LEU 249 N -5.24 2.29 0.00 -3.56 1.43 -1.26 -5.03 118.68 107.30 3jyh s LEU 249 Ca 0.72 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 3jyh s LEU 249 Cb -0.26 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3jyh s LEU 249 CO 0.46 0.24 0.00 -1.54 0.23 0.00 0.00 176.35 175.73 3jyh n SER 250 N 1.49 0.00 -4.11 2.29 3.41 -1.26 -4.76 113.62 110.68 3jyh n SER 250 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.17 3jyh n SER 250 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3jyh n SER 250 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jyh n ASP 251 N -0.72 2.54 0.03 4.04 5.68 -1.26 -5.04 116.55 121.83 3jyh n ASP 251 Ca 0.00 -2.96 -0.00 0.00 -0.50 0.00 0.00 54.79 51.33 3jyh n ASP 251 Cb 0.00 0.53 0.30 0.00 -1.14 0.00 0.00 41.12 40.81 3jyh n ASP 251 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3jyh h GLU 252 N 0.00 0.45 -0.51 0.11 -0.00 -2.00 -2.82 114.58 109.81 3jyh h GLU 252 Ca -0.34 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.36 58.90 3jyh h GLU 252 Cb 1.12 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.78 3jyh h GLU 252 CO 0.56 0.53 0.29 -0.22 -0.00 0.00 0.00 179.01 180.17 3jyh h LYS 253 N 0.42 0.70 -0.46 1.06 3.64 -1.99 -1.26 116.57 118.69 3jyh h LYS 253 Ca 0.09 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3jyh h LYS 253 Cb 0.39 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3jyh h LYS 253 CO 0.02 0.54 0.29 -0.44 -2.27 0.00 0.00 179.45 177.58 3jyh h ASP 254 N 0.68 0.48 -0.45 4.20 3.32 -1.91 -1.20 116.42 121.54 3jyh h ASP 254 Ca 0.18 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.27 3jyh h ASP 254 Cb 0.03 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3jyh h ASP 254 CO -0.03 0.34 0.21 0.25 -1.72 0.00 0.00 179.24 178.29 3jyh h LEU 255 N 0.58 0.28 -0.29 1.55 5.85 -1.33 -0.08 115.31 121.87 3jyh h LEU 255 Ca 0.18 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3jyh h LEU 255 Cb -0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3jyh h LEU 255 CO -0.06 0.20 0.14 0.74 -0.34 0.00 0.00 178.44 179.12 3jyh h THR 256 N 0.41 1.15 -0.36 1.05 2.02 -1.01 -0.98 112.91 115.20 3jyh h THR 256 Ca 0.20 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.98 3jyh h THR 256 Cb 0.14 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3jyh h THR 256 CO -0.16 0.15 0.18 -0.61 0.37 0.00 0.00 175.52 175.45 3jyh h GLN 257 N 0.33 0.35 -0.74 6.66 5.75 -1.02 0.17 115.11 126.62 3jyh h GLN 257 Ca 0.10 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3jyh h GLN 257 Cb 0.12 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3jyh h GLN 257 CO -0.01 0.23 0.48 1.25 -2.65 0.00 0.00 178.83 178.13 3jyh h LEU 258 N 0.36 0.81 -0.40 -2.39 6.46 -0.75 -0.18 115.31 119.21 3jyh h LEU 258 Ca 0.15 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 3jyh h LEU 258 Cb 0.06 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3jyh h LEU 258 CO -0.11 0.57 0.08 -0.26 -0.62 0.00 0.00 178.44 178.10 3jyh h PHE 259 N 0.95 0.69 -0.02 1.25 0.04 -0.66 -0.14 116.94 119.05 3jyh h PHE 259 Ca 0.28 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.97 3jyh h PHE 259 Cb -0.05 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3jyh h PHE 259 CO -0.03 0.67 -0.02 0.52 -0.60 0.00 0.00 178.31 178.85 3jyh h MET 260 N 0.51 -0.02 -0.14 1.51 2.86 -0.39 0.28 114.93 119.53 3jyh h MET 260 Ca 0.12 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.81 3jyh h MET 260 Cb 0.34 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 3jyh h MET 260 CO 0.00 -0.02 -0.26 0.35 1.06 0.00 0.00 176.91 178.05 3jyh h PHE 261 N -0.02 -0.70 -0.58 -0.22 3.57 -0.98 -1.11 116.94 116.91 3jyh h PHE 261 Ca 0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3jyh h PHE 261 Cb 0.05 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3jyh h PHE 261 CO -0.10 -0.34 -0.07 0.00 -2.23 0.00 0.00 178.31 175.57 3jyh h ALA 262 N 0.60 0.79 -0.53 2.41 0.00 -0.80 -2.92 119.26 118.81 3jyh h ALA 262 Ca 0.10 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3jyh h ALA 262 Cb 0.48 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3jyh h ALA 262 CO -0.32 0.68 0.26 -0.09 0.00 0.00 0.00 179.25 179.77 3jyh h ARG 263 N 0.95 0.48 -0.15 0.00 2.43 -0.27 -2.29 114.38 115.53 3jyh h ARG 263 Ca 0.15 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3jyh h ARG 263 Cb 0.64 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3jyh h ARG 263 CO 0.04 0.32 0.11 -0.97 -1.51 0.00 0.00 179.97 177.96 3jyh h ASN 264 N 0.50 0.00 -0.85 -3.80 -1.24 -1.01 -0.83 115.58 108.35 3jyh h ASN 264 Ca 0.24 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.26 3jyh h ASN 264 Cb 0.17 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 3jyh h ASN 264 CO -0.18 0.00 0.56 0.00 -1.29 0.00 0.00 177.43 176.52 3jyh h ALA 265 N 1.92 1.41 -0.28 1.57 0.00 -1.33 -1.92 119.26 120.63 3jyh h ALA 265 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3jyh h ALA 265 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3jyh h ALA 265 CO -0.00 0.54 -0.08 0.74 0.00 0.00 0.00 179.25 180.45 3jyh h PHE 266 N 1.13 0.61 -0.42 0.00 0.04 -1.20 -2.57 116.94 114.53 3jyh h PHE 266 Ca 0.31 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 61.03 3jyh h PHE 266 Cb -0.11 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 37.81 3jyh h PHE 266 CO -0.00 0.75 -0.09 1.15 -0.60 0.00 0.00 178.31 179.52 3jyh h THR 267 N 0.30 0.59 0.01 -1.55 2.02 -1.28 -0.90 112.91 112.10 3jyh h THR 267 Ca 0.07 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 3jyh h THR 267 Cb 0.56 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3jyh h THR 267 CO 0.03 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.50 3jyh h VAL 268 N 0.01 1.20 -0.50 3.16 2.07 -1.33 -1.10 116.25 119.76 3jyh h VAL 268 Ca 0.20 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3jyh h VAL 268 Cb 0.31 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3jyh h VAL 268 CO -0.42 0.16 0.25 -0.07 0.02 0.00 0.00 177.57 177.50 3jyh h LEU 269 N -0.28 0.35 -0.09 2.57 3.38 -1.37 -0.27 115.31 119.59 3jyh h LEU 269 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3jyh h LEU 269 Cb 0.27 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3jyh h LEU 269 CO 0.00 0.24 0.03 0.00 0.09 0.00 0.00 178.44 178.81 3jyh h ALA 270 N 1.27 0.12 -0.46 1.53 0.00 -1.09 -2.22 119.26 118.41 3jyh h ALA 270 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jyh h ALA 270 Cb 0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3jyh h ALA 270 CO -0.16 -0.27 0.28 0.52 0.00 0.00 0.00 179.25 179.62 3jyh h MET 271 N -0.03 0.61 -0.75 0.00 2.86 -0.97 -2.95 114.93 113.71 3jyh h MET 271 Ca 0.03 -0.04 -0.36 0.00 -2.06 0.00 0.00 59.70 57.27 3jyh h MET 271 Cb 0.20 -0.13 -0.21 0.00 0.06 0.00 0.00 31.60 31.52 3jyh h MET 271 CO -0.00 0.42 0.36 -1.33 1.06 0.00 0.00 176.91 177.42 3jyh n MET 272 N -4.45 2.39 -1.46 1.72 2.81 -0.13 -1.21 117.12 116.79 3jyh n MET 272 Ca 0.04 -3.07 -0.40 0.00 -1.81 0.00 0.00 57.70 52.46 3jyh n MET 272 Cb 0.07 -2.07 -0.02 0.00 -0.71 0.00 0.00 33.22 30.49 3jyh n MET 272 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jyh n ASP 273 N -0.96 6.00 -4.91 7.83 2.03 -0.85 -4.66 116.55 121.04 3jyh n ASP 273 Ca 0.48 -2.68 -0.29 0.00 0.52 0.00 0.00 54.79 52.82 3jyh n ASP 273 Cb 1.42 -1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 3jyh n ASP 273 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jyh s TYR 274 N 2.86 3.47 -1.40 -0.67 2.02 -1.26 -4.37 117.35 118.01 3jyh s TYR 274 Ca 0.57 0.55 0.02 0.00 -0.37 0.00 0.00 57.07 57.84 3jyh s TYR 274 Cb 0.16 -2.02 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 3jyh s TYR 274 CO -0.06 0.29 0.80 -0.35 -1.57 0.00 0.00 175.55 174.66 3jyh n PRO 275 N -0.58 1.25 -3.77 -1.71 -0.04 -1.26 -0.03 135.00 128.86 3jyh n PRO 275 Ca -0.03 -0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.09 3jyh n PRO 275 Cb 0.53 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 3jyh n PRO 275 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3jyh s TYR 276 N -1.49 0.01 0.57 0.54 -0.85 -1.26 -4.62 117.35 110.25 3jyh s TYR 276 Ca 0.04 -0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 56.04 3jyh s TYR 276 Cb 0.03 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 3jyh s TYR 276 CO 0.02 -0.76 1.29 -2.14 -1.52 0.00 0.00 175.55 172.44 3jyh s PRO 277 N -3.87 3.03 0.23 -3.49 0.02 -1.26 -3.93 135.00 125.72 3jyh s PRO 277 Ca 0.08 2.05 -0.09 0.00 0.02 0.00 0.00 61.00 63.06 3jyh s PRO 277 Cb 0.02 -2.10 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3jyh s PRO 277 CO -0.06 -1.22 0.37 0.95 -0.33 0.00 0.00 177.00 176.70 3jyh s THR 278 N -1.42 0.00 -0.44 0.99 -4.23 -0.94 -4.89 115.64 104.72 3jyh s THR 278 Ca 0.75 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 3jyh s THR 278 Cb -0.36 -2.27 0.29 0.00 1.34 0.00 0.00 72.50 71.50 3jyh s THR 278 CO 0.41 -0.02 0.88 -0.67 -0.54 0.00 0.00 174.62 174.68 3jyh n ASP 279 N -0.34 -1.50 0.00 3.99 -0.08 -1.26 -0.97 116.55 116.39 3jyh n ASP 279 Ca -0.01 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 3jyh n ASP 279 Cb 0.63 1.00 0.00 0.00 2.34 0.00 0.00 41.12 45.09 3jyh n ASP 279 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3jyh n PHE 280 N 0.91 0.00 0.11 -0.67 7.35 -1.26 -4.63 117.46 119.26 3jyh n PHE 280 Ca 0.13 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.78 3jyh n PHE 280 Cb 0.64 -0.05 0.14 0.00 0.35 0.00 0.00 39.48 40.56 3jyh n PHE 280 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3jyh h LEU 281 N 0.00 0.16 -7.03 -2.13 3.38 -1.98 -3.48 115.31 104.23 3jyh h LEU 281 Ca 0.00 -0.10 0.38 0.00 0.09 0.00 0.00 57.88 58.26 3jyh h LEU 281 Cb 0.00 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.56 3jyh h LEU 281 CO 0.00 0.73 0.97 -0.83 0.09 0.00 0.00 178.44 179.40 3jyh s GLY 282 N -4.38 -0.46 -0.07 0.83 0.00 -1.26 -5.14 107.32 96.83 3jyh s GLY 282 Ca -0.03 1.05 -0.30 0.00 0.00 0.00 0.00 44.72 45.45 3jyh s GLY 282 CO 0.78 0.23 1.51 2.56 0.00 0.00 0.00 173.10 178.19 3jyh s PRO 283 N -2.07 4.21 0.02 2.90 0.04 -1.26 -4.00 135.00 134.85 3jyh s PRO 283 Ca 0.14 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.22 3jyh s PRO 283 Cb 0.06 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.73 3jyh s PRO 283 CO -0.06 -0.77 -0.06 -0.51 0.04 0.00 0.00 177.00 175.64 3jyh s LEU 284 N 3.64 2.17 1.00 -3.56 1.43 -0.14 -4.89 118.68 118.32 3jyh s LEU 284 Ca 0.67 -0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 3jyh s LEU 284 Cb -0.30 -0.14 0.19 0.00 0.03 0.00 0.00 46.19 45.97 3jyh s LEU 284 CO 0.25 -0.13 1.14 -2.16 0.23 0.00 0.00 176.35 175.67 3jyh s PRO 285 N -1.08 0.44 0.45 1.29 0.04 -1.26 -2.20 135.00 132.68 3jyh s PRO 285 Ca -0.07 0.20 -0.24 0.00 0.04 0.00 0.00 61.00 60.93 3jyh s PRO 285 Cb -0.07 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 3jyh s PRO 285 CO 0.00 -2.65 1.22 0.00 0.04 0.00 0.00 177.00 175.60 3jyh n ALA 286 N -4.07 1.07 -3.81 8.56 0.00 -1.25 -3.64 120.51 117.37 3jyh n ALA 286 Ca 0.08 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.41 3jyh n ALA 286 Cb 0.59 -2.24 0.03 0.00 0.00 0.00 0.00 19.45 17.83 3jyh n ALA 286 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jyh n ASN 287 N 0.04 -4.35 0.25 0.00 3.02 0.95 -4.77 115.26 110.40 3jyh n ASN 287 Ca 0.08 -1.08 0.15 0.00 -0.03 0.00 0.00 54.58 53.71 3jyh n ASN 287 Cb 0.41 -2.97 0.51 0.00 -0.61 0.00 0.00 39.78 37.11 3jyh n ASN 287 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3jyh h PRO 288 N -2.04 0.00 0.09 3.52 0.13 -1.78 -1.87 132.00 130.05 3jyh h PRO 288 Ca -0.67 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3jyh h PRO 288 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 3jyh h PRO 288 CO 0.51 0.00 -0.04 0.28 -0.23 0.00 0.00 178.00 178.52 3jyh h VAL 289 N 0.00 0.97 -0.34 1.56 2.07 -1.89 0.16 116.25 118.77 3jyh h VAL 289 Ca 0.00 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3jyh h VAL 289 Cb 0.67 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3jyh h VAL 289 CO 0.00 0.05 -0.02 0.50 0.02 0.00 0.00 177.57 178.12 3jyh h LYS 290 N -0.21 0.07 -0.77 1.57 3.64 -1.82 -1.03 116.57 118.02 3jyh h LYS 290 Ca -0.01 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3jyh h LYS 290 Cb 0.17 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3jyh h LYS 290 CO 0.02 0.04 0.48 0.28 -2.27 0.00 0.00 179.45 178.01 3jyh h VAL 291 N 0.07 1.10 -0.24 2.00 2.07 -1.21 0.11 116.25 120.15 3jyh h VAL 291 Ca 0.17 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3jyh h VAL 291 Cb 0.24 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3jyh h VAL 291 CO -0.30 0.17 0.13 1.23 0.02 0.00 0.00 177.57 178.82 3jyh h GLY 292 N 0.93 0.36 0.99 2.17 0.00 -0.37 -0.69 103.07 106.47 3jyh h GLY 292 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3jyh h GLY 292 CO -0.12 0.16 0.14 0.00 0.00 0.00 0.00 176.54 176.71 3jyh h ASP 294 N 0.28 0.19 -0.36 0.00 3.32 -0.60 -0.24 116.42 119.01 3jyh h ASP 294 Ca 0.08 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3jyh h ASP 294 Cb -0.02 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3jyh h ASP 294 CO -0.02 0.10 0.13 0.03 -1.72 0.00 0.00 179.24 177.76 3jyh h ARG 295 N 0.39 0.55 -0.29 3.56 3.08 -0.89 -2.34 114.38 118.44 3jyh h ARG 295 Ca 0.35 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3jyh h ARG 295 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3jyh h ARG 295 CO -0.36 0.55 0.16 1.25 -1.07 0.00 0.00 179.97 180.50 3jyh h LEU 296 N 0.43 0.35 -0.82 3.04 6.46 -0.73 -3.16 115.31 120.90 3jyh h LEU 296 Ca 0.12 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 3jyh h LEU 296 Cb 0.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3jyh h LEU 296 CO -0.01 0.33 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.00 3jyh h LEU 297 N 0.35 0.00 -1.10 2.25 3.38 -0.98 -2.99 115.31 116.23 3jyh h LEU 297 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jyh h LEU 297 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3jyh h LEU 297 CO -0.02 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 3jyh n SER 298 N -3.15 1.67 -4.81 -0.43 3.41 -0.89 -4.77 113.62 104.65 3jyh n SER 298 Ca 0.02 -1.63 -0.37 0.00 -0.26 0.00 0.00 58.87 56.62 3jyh n SER 298 Cb 0.43 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 3jyh n SER 298 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jyh s GLU 299 N -1.88 3.87 0.18 4.33 0.41 -1.13 -5.01 118.70 119.48 3jyh s GLU 299 Ca 0.35 0.11 -0.07 0.00 -0.41 0.00 0.00 54.97 54.94 3jyh s GLU 299 Cb 0.19 -3.28 0.08 0.00 -1.78 0.00 0.00 34.13 29.34 3jyh s GLU 299 CO 0.30 0.57 1.57 0.00 -0.49 0.00 0.00 175.26 177.20 3jyh h ALA 300 N 5.48 0.75 -2.89 5.21 0.00 -1.88 -3.42 119.26 122.51 3jyh h ALA 300 Ca -0.49 -0.40 -0.60 0.00 0.00 0.00 0.00 54.91 53.42 3jyh h ALA 300 Cb 1.20 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 3jyh h ALA 300 CO 0.65 0.66 -0.21 -0.65 0.00 0.00 0.00 179.25 179.70 3jyh s GLN 301 N -4.56 4.19 0.26 0.00 -0.21 -1.26 -4.98 119.66 113.10 3jyh s GLN 301 Ca -0.10 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.44 3jyh s GLN 301 Cb 0.12 -3.52 0.35 0.00 1.00 0.00 0.00 33.01 30.96 3jyh s GLN 301 CO 0.86 -0.00 1.91 0.00 -2.12 0.00 0.00 175.29 175.93 3jyh h ARG 302 N 7.28 1.22 -0.56 2.91 2.47 -1.92 -1.59 114.38 124.19 3jyh h ARG 302 Ca -0.37 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.20 3jyh h ARG 302 Cb 1.16 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 29.19 3jyh h ARG 302 CO 0.72 0.80 0.01 0.82 0.56 0.00 0.00 179.97 182.89 3jyh h ILE 303 N 1.25 1.26 -0.69 2.04 2.04 -1.93 -0.12 117.51 121.36 3jyh h ILE 303 Ca 0.40 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 3jyh h ILE 303 Cb 0.02 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3jyh h ILE 303 CO -0.13 0.39 0.23 0.74 0.00 0.00 0.00 178.15 179.38 3jyh h THR 304 N 0.87 1.25 -0.51 -0.27 2.02 -1.67 -1.39 112.91 113.22 3jyh h THR 304 Ca 0.16 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 3jyh h THR 304 Cb 0.50 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3jyh h THR 304 CO 0.02 0.33 0.09 1.23 0.37 0.00 0.00 175.52 177.56 3jyh h GLY 305 N 1.08 0.91 0.98 2.16 0.00 -0.57 -0.67 103.07 106.96 3jyh h GLY 305 Ca 0.23 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3jyh h GLY 305 CO -0.01 0.56 0.28 -2.00 0.00 0.00 0.00 176.54 175.36 3jyh h LEU 306 N 0.73 0.58 -0.47 3.11 5.85 -0.88 0.02 115.31 124.24 3jyh h LEU 306 Ca 0.16 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3jyh h LEU 306 Cb 0.39 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 3jyh h LEU 306 CO 0.01 0.47 0.16 -0.09 -0.34 0.00 0.00 178.44 178.66 3jyh h ARG 307 N 0.63 0.32 -0.35 1.25 2.43 -1.09 -1.06 114.38 116.51 3jyh h ARG 307 Ca 0.17 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3jyh h ARG 307 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3jyh h ARG 307 CO -0.03 0.21 -0.21 0.00 -1.51 0.00 0.00 179.97 178.44 3jyh h ALA 308 N 1.32 0.50 0.01 2.80 0.00 -0.82 -1.91 119.26 121.16 3jyh h ALA 308 Ca 0.22 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3jyh h ALA 308 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3jyh h ALA 308 CO -0.23 0.46 -0.16 1.25 0.00 0.00 0.00 179.25 180.56 3jyh h LEU 309 N 0.55 -0.47 -2.01 0.00 6.46 -0.84 -2.27 115.31 116.73 3jyh h LEU 309 Ca 0.07 0.07 0.17 0.00 -0.12 0.00 0.00 57.88 58.07 3jyh h LEU 309 Cb 0.76 0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 3jyh h LEU 309 CO 0.06 -0.23 0.44 0.00 -0.62 0.00 0.00 178.44 178.09 3jyh h ALA 310 N 0.64 2.49 0.00 1.25 0.00 -1.08 -2.35 119.26 120.21 3jyh h ALA 310 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3jyh h ALA 310 Cb 0.34 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jyh h ALA 310 CO -0.15 -0.73 -0.08 0.78 0.00 0.00 0.00 179.25 179.07 3jyh h GLY 311 N 0.00 0.00 1.12 0.00 0.00 -0.72 -0.42 103.07 103.04 3jyh h GLY 311 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.67 3jyh h GLY 311 CO -0.00 0.00 0.42 1.41 0.00 0.00 0.00 176.54 178.37 3jyh h LEU 312 N 0.00 0.53 0.06 3.11 3.38 -1.49 0.26 115.31 121.16 3jyh h LEU 312 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.61 3jyh h LEU 312 Cb 0.17 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3jyh h LEU 312 CO 0.01 0.34 -2.11 0.52 0.09 0.00 0.00 178.44 177.29 3jyh n VAL 313 N -4.48 1.65 0.51 1.22 0.31 -0.48 -4.18 118.33 112.89 3jyh n VAL 313 Ca 0.09 -0.54 0.06 0.00 -0.01 0.00 0.00 64.34 63.94 3jyh n VAL 313 Cb 0.26 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 3jyh n VAL 313 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3jyh n TYR 314 N -3.59 0.00 -2.81 3.52 4.01 -0.29 -4.60 117.16 113.40 3jyh n TYR 314 Ca -0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.35 3jyh n TYR 314 Cb 0.98 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.06 3jyh n TYR 314 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3jyh n ASN 315 N -0.14 1.18 -0.33 7.72 5.15 0.84 -4.88 115.26 124.80 3jyh n ASN 315 Ca 0.05 -2.07 0.05 0.00 -0.60 0.00 0.00 54.58 52.01 3jyh n ASN 315 Cb 0.25 -0.33 0.24 0.00 -0.53 0.00 0.00 39.78 39.41 3jyh n ASN 315 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jyh h ALA 316 N 2.43 1.53 -0.00 5.20 0.00 -1.53 -0.75 119.26 126.13 3jyh h ALA 316 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jyh h ALA 316 Cb 1.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3jyh h ALA 316 CO 0.15 0.29 -0.08 -1.13 0.00 0.00 0.00 179.25 178.47 3jyh n SER 317 N -4.54 0.25 -0.03 0.00 3.41 -1.26 -4.92 113.62 106.53 3jyh n SER 317 Ca 0.16 -0.28 -0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3jyh n SER 317 Cb 0.27 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3jyh n SER 317 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyh n GLY 318 N 1.32 0.42 0.85 5.00 0.00 -0.29 -4.91 105.19 107.58 3jyh n GLY 318 Ca 0.13 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3jyh n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jyh n SER 319 N -0.10 2.97 -4.68 1.61 3.41 -1.26 -4.89 113.62 110.68 3jyh n SER 319 Ca -0.00 -1.87 -0.39 0.00 -0.26 0.00 0.00 58.87 56.35 3jyh n SER 319 Cb 0.11 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 3jyh n SER 319 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jyh s GLU 320 N -1.20 4.24 0.26 4.33 0.41 -1.26 -4.94 118.70 120.54 3jyh s GLU 320 Ca 0.29 0.44 0.14 0.00 -0.41 0.00 0.00 54.97 55.43 3jyh s GLU 320 Cb 0.17 -3.52 0.06 0.00 -1.78 0.00 0.00 34.13 29.06 3jyh s GLU 320 CO 0.23 -0.06 1.44 0.45 -0.49 0.00 0.00 175.26 176.83 3jyh h HIS 321 N 7.24 0.00 -3.43 1.61 3.86 -1.98 -3.48 115.15 118.97 3jyh h HIS 321 Ca -0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.81 3jyh h HIS 321 Cb 1.16 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.52 3jyh h HIS 321 CO 0.68 0.57 -0.07 0.00 0.86 0.00 0.00 177.93 179.97 3jyh s TYR 323 N -3.86 3.22 -0.97 0.00 2.02 0.24 -4.75 117.35 113.26 3jyh s TYR 323 Ca 0.08 -0.15 -0.21 0.00 -0.37 0.00 0.00 57.07 56.41 3jyh s TYR 323 Cb 0.01 -2.52 0.08 0.00 -0.40 0.00 0.00 41.96 39.13 3jyh s TYR 323 CO -0.06 -0.37 1.31 0.34 -1.57 0.00 0.00 175.55 175.20 3jyh s ASP 324 N 1.73 6.53 0.48 2.29 -1.08 -1.26 -1.01 116.67 124.34 3jyh s ASP 324 Ca 0.07 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.66 3jyh s ASP 324 Cb -0.17 -2.50 1.18 0.00 -1.46 0.00 0.00 42.92 39.97 3jyh s ASP 324 CO 0.11 -1.34 2.02 0.16 0.52 0.00 0.00 175.17 176.63 3jyh h ILE 325 N 6.39 0.89 0.16 4.11 3.07 -1.95 0.90 117.51 131.08 3jyh h ILE 325 Ca 0.16 -0.63 -0.31 0.00 1.55 0.00 0.00 64.86 65.63 3jyh h ILE 325 Cb 1.02 1.36 0.01 0.00 -0.27 0.00 0.00 36.82 38.94 3jyh h ILE 325 CO 1.30 0.17 -1.44 1.88 -1.05 0.00 0.00 178.15 179.00 3jyh h TYR 326 N 0.00 0.60 0.02 0.16 0.05 -1.90 -3.17 116.97 112.73 3jyh h TYR 326 Ca -0.00 -0.44 -0.21 0.00 0.05 0.00 0.00 58.73 58.13 3jyh h TYR 326 Cb 0.35 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3jyh h TYR 326 CO 0.00 1.41 -0.95 -0.09 -1.05 0.00 0.00 178.16 177.48 3jyh h ARG 327 N 0.09 0.18 0.00 4.88 2.43 -1.89 -3.34 114.38 116.73 3jyh h ARG 327 Ca -0.22 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3jyh h ARG 327 Cb 2.04 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.66 3jyh h ARG 327 CO 0.20 1.00 -0.37 -0.07 -1.51 0.00 0.00 179.97 179.22 3jyh h LEU 328 N 0.09 0.00 -7.21 3.80 3.38 -0.97 -3.44 115.31 110.96 3jyh h LEU 328 Ca -0.05 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.49 3jyh h LEU 328 Cb 1.61 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.97 3jyh h LEU 328 CO 0.14 0.01 -0.75 -0.47 0.09 0.00 0.00 178.44 177.46 3jyh s TYR 329 N -3.25 0.15 -0.46 1.13 5.04 -1.20 -4.97 117.35 113.79 3jyh s TYR 329 Ca 0.05 -0.01 -0.13 0.00 -2.44 0.00 0.00 57.07 54.54 3jyh s TYR 329 Cb 0.07 -0.59 0.08 0.00 0.35 0.00 0.00 41.96 41.88 3jyh s TYR 329 CO 0.71 -0.33 0.36 -1.01 -1.34 0.00 0.00 175.55 173.93 3jyh s HIS 330 N 2.15 3.28 0.15 4.97 3.76 -1.26 -4.53 115.29 123.80 3jyh s HIS 330 Ca 0.04 -1.18 -0.31 0.00 -0.15 0.00 0.00 55.06 53.45 3jyh s HIS 330 Cb -0.14 -3.16 -0.11 0.00 1.11 0.00 0.00 32.58 30.29 3jyh s HIS 330 CO -0.06 -0.84 1.73 0.45 -0.85 0.00 0.00 174.74 175.18 3jyh s SER 331 N 2.52 6.46 0.00 1.40 0.15 -1.26 -4.49 113.70 118.47 3jyh s SER 331 Ca 0.04 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.42 3jyh s SER 331 Cb -0.24 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 3jyh s SER 331 CO 0.05 -0.95 0.00 0.00 1.20 0.00 0.00 173.24 173.54 3jyh n ALA 333 N -3.00 1.90 -2.74 0.00 0.00 -1.26 -4.29 120.51 111.12 3jyh n ALA 333 Ca 0.00 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3jyh n ALA 333 Cb 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.04 3jyh n ALA 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jyh s ASP 334 N -2.89 5.87 0.47 0.00 -1.08 -1.26 -4.64 116.67 113.15 3jyh s ASP 334 Ca 0.11 -1.02 0.32 0.00 -0.52 0.00 0.00 52.55 51.45 3jyh s ASP 334 Cb 0.12 -2.07 1.52 0.00 -1.46 0.00 0.00 42.92 41.03 3jyh s ASP 334 CO 0.33 -0.43 1.97 -0.65 0.52 0.00 0.00 175.17 176.91 3jyh h PRO 335 N 8.51 0.00 -0.01 4.34 0.11 -1.75 -2.01 132.00 141.19 3jyh h PRO 335 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jyh h PRO 335 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3jyh h PRO 335 CO 0.70 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 3jyh n THR 336 N -2.75 0.01 0.00 -1.15 -2.24 -1.26 -4.98 114.28 101.91 3jyh n THR 336 Ca -0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3jyh n THR 336 Cb 0.18 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3jyh n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jyh n GLY 337 N 1.10 2.42 0.03 3.38 0.00 -0.76 -4.96 105.19 106.41 3jyh n GLY 337 Ca 0.21 -1.44 0.11 0.00 0.00 0.00 0.00 46.02 44.90 3jyh n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n GLY 339 N 1.34 -1.33 3.26 0.00 0.00 -1.26 -4.25 105.19 102.95 3jyh n GLY 339 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 3jyh n GLY 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyh s THR 340 N 0.00 0.76 0.00 2.61 -4.23 -1.26 -4.50 115.64 109.02 3jyh s THR 340 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3jyh s THR 340 Cb 0.00 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.69 3jyh s THR 340 CO 0.00 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 3jyh n GLY 341 N -0.27 -2.34 0.30 3.99 0.00 -1.26 -4.07 105.19 101.53 3jyh n GLY 341 Ca -0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 3jyh n GLY 341 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jyh h PRO 342 N 0.00 0.93 -0.59 1.61 0.11 -1.98 -2.35 132.00 129.73 3jyh h PRO 342 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3jyh h PRO 342 Cb 0.00 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 3jyh h PRO 342 CO 0.00 0.62 0.37 -0.44 -0.21 0.00 0.00 178.00 178.34 3jyh h ASP 343 N 0.96 0.69 -0.45 -2.05 3.32 -1.86 -1.16 116.42 115.88 3jyh h ASP 343 Ca 0.31 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.23 3jyh h ASP 343 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3jyh h ASP 343 CO -0.11 0.52 -0.08 0.00 -1.72 0.00 0.00 179.24 177.86 3jyh h ALA 344 N 1.60 0.92 -0.36 3.45 0.00 -1.58 -1.52 119.26 121.77 3jyh h ALA 344 Ca 0.21 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3jyh h ALA 344 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3jyh h ALA 344 CO -0.04 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 3jyh h ARG 345 N 0.81 0.69 -0.92 0.00 3.08 -1.10 -0.09 114.38 116.85 3jyh h ARG 345 Ca 0.14 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 59.95 3jyh h ARG 345 Cb 0.59 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 3jyh h ARG 345 CO 0.04 0.85 0.61 0.00 -1.07 0.00 0.00 179.97 180.39 3jyh h ALA 346 N 0.83 1.20 -0.04 0.04 0.00 -1.15 -1.51 119.26 118.61 3jyh h ALA 346 Ca 0.09 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3jyh h ALA 346 Cb 0.59 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3jyh h ALA 346 CO 0.03 0.51 -0.89 2.35 0.00 0.00 0.00 179.25 181.26 3jyh h TRP 347 N 1.20 0.98 -0.77 0.00 2.91 -1.15 -2.51 115.95 116.62 3jyh h TRP 347 Ca 0.35 -0.50 0.15 0.00 1.13 0.00 0.00 58.89 60.03 3jyh h TRP 347 Cb -0.06 -0.12 -0.10 0.00 -0.51 0.00 0.00 29.16 28.36 3jyh h TRP 347 CO -0.01 1.33 0.30 0.22 -1.03 0.00 0.00 178.44 179.25 3jyh h ASP 348 N 0.35 0.25 -0.30 2.65 3.58 -0.89 -0.63 116.42 121.43 3jyh h ASP 348 Ca -0.10 0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3jyh h ASP 348 Cb 1.54 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.69 3jyh h ASP 348 CO 0.18 0.08 0.14 0.22 -2.88 0.00 0.00 179.24 176.97 3jyh h TYR 349 N 0.42 0.44 -0.78 0.28 3.20 -1.00 -0.83 116.97 118.71 3jyh h TYR 349 Ca 0.43 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.37 3jyh h TYR 349 Cb 0.69 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.75 3jyh h TYR 349 CO -0.18 0.40 0.43 1.96 -1.64 0.00 0.00 178.16 179.14 3jyh h GLN 350 N 0.35 0.71 0.00 1.82 4.20 -1.09 -1.86 115.11 119.24 3jyh h GLN 350 Ca 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3jyh h GLN 350 Cb 0.13 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3jyh h GLN 350 CO -0.01 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 3jyh n ALA 351 N -2.38 1.67 1.15 3.87 0.00 -0.28 -1.41 120.51 123.13 3jyh n ALA 351 Ca 0.12 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.78 3jyh n ALA 351 Cb 0.26 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 18.57 3jyh n ALA 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyh n THR 353 N 0.91 0.06 -0.09 0.00 -2.24 -0.96 -3.27 114.28 108.69 3jyh n THR 353 Ca 0.16 0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 3jyh n THR 353 Cb 0.51 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.25 3jyh n THR 353 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jyh n GLU 354 N -2.66 0.93 -3.31 -0.78 1.02 -0.73 -2.04 120.64 113.07 3jyh n GLU 354 Ca 0.00 0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 3jyh n GLU 354 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 3jyh n GLU 354 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3jyh s ILE 355 N -2.40 5.09 -0.44 -3.67 -1.09 -0.50 -4.45 121.20 113.73 3jyh s ILE 355 Ca -0.18 0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 58.37 3jyh s ILE 355 Cb 0.06 -3.87 0.03 0.00 -1.58 0.00 0.00 42.46 37.10 3jyh s ILE 355 CO 0.56 -0.11 0.48 0.20 -1.23 0.00 0.00 174.94 174.85 3jyh s ASN 356 N 1.72 6.20 -0.56 3.58 0.01 -0.70 -4.32 114.94 120.88 3jyh s ASN 356 Ca 0.16 -0.77 0.06 0.00 -0.71 0.00 0.00 52.86 51.61 3jyh s ASN 356 Cb -0.16 -2.24 0.30 0.00 0.41 0.00 0.00 41.25 39.56 3jyh s ASN 356 CO 0.12 -0.66 0.81 0.18 -1.51 0.00 0.00 177.10 176.04 3jyh n LEU 357 N 5.72 3.42 -3.82 0.60 4.77 -1.26 -4.06 117.00 122.37 3jyh n LEU 357 Ca -0.07 -5.43 -0.42 0.00 -0.03 0.00 0.00 56.01 50.05 3jyh n LEU 357 Cb 0.47 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 3jyh n LEU 357 CO 0.48 2.22 1.54 0.35 -1.33 0.00 0.00 177.39 180.66 3jyh n THR 358 N 0.34 5.31 -3.69 -5.08 -2.24 -1.26 -4.21 114.28 103.45 3jyh n THR 358 Ca 0.29 -5.42 -0.37 0.00 -2.27 0.00 0.00 64.05 56.27 3jyh n THR 358 Cb 0.44 -2.01 -0.06 0.00 -2.10 0.00 0.00 70.33 66.60 3jyh n THR 358 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3jyh s PHE 359 N -2.29 3.61 0.28 4.78 0.08 -1.26 -4.70 117.98 118.48 3jyh s PHE 359 Ca 0.38 0.68 0.10 0.00 0.12 0.00 0.00 56.93 58.21 3jyh s PHE 359 Cb 0.11 -2.14 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 3jyh s PHE 359 CO 0.01 0.59 -0.08 0.00 -0.10 0.00 0.00 175.22 175.64 3jyh s ALA 360 N -0.70 3.00 0.06 5.36 0.00 -0.39 -4.32 121.76 124.77 3jyh s ALA 360 Ca 0.18 -1.77 0.07 0.00 0.00 0.00 0.00 51.96 50.43 3jyh s ALA 360 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3jyh s ALA 360 CO 0.07 0.26 -0.14 -1.54 0.00 0.00 0.00 175.76 174.40 3jyh s SER 361 N -3.61 4.12 0.00 0.00 1.04 -1.04 -4.49 113.70 109.71 3jyh s SER 361 Ca 0.31 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3jyh s SER 361 Cb -0.05 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.33 3jyh s SER 361 CO 0.18 0.23 0.12 -0.46 0.98 0.00 0.00 173.24 174.29 3jyh n ASN 362 N 1.20 0.24 0.00 7.02 0.23 -1.25 -0.60 115.26 122.11 3jyh n ASN 362 Ca -0.15 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 3jyh n ASN 362 Cb 0.52 0.07 0.00 0.00 -2.08 0.00 0.00 39.78 38.30 3jyh n ASN 362 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3jyh n ASN 363 N -0.07 -3.86 -0.04 0.53 5.15 -0.71 -4.48 115.26 111.79 3jyh n ASN 363 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 3jyh n ASN 363 Cb 0.13 -2.46 -0.03 0.00 -0.53 0.00 0.00 39.78 36.90 3jyh n ASN 363 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3jyh n VAL 364 N -2.20 1.05 0.92 3.44 0.31 -1.26 -4.72 118.33 115.87 3jyh n VAL 364 Ca 0.00 0.08 0.12 0.00 -0.01 0.00 0.00 64.34 64.53 3jyh n VAL 364 Cb 0.27 -1.81 0.24 0.00 -0.91 0.00 0.00 33.84 31.63 3jyh n VAL 364 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3jyh n THR 365 N -3.76 0.17 -4.19 2.52 -2.24 -1.26 -4.93 114.28 100.58 3jyh n THR 365 Ca -0.15 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 60.97 3jyh n THR 365 Cb 0.43 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 3jyh n THR 365 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3jyh s ASP 366 N -1.80 0.93 0.00 3.42 1.47 -1.26 -4.38 116.67 115.06 3jyh s ASP 366 Ca 0.33 -1.53 0.21 0.00 1.18 0.00 0.00 52.55 52.75 3jyh s ASP 366 Cb 0.21 0.53 0.53 0.00 -0.34 0.00 0.00 42.92 43.85 3jyh s ASP 366 CO 0.31 -1.06 1.45 1.15 0.68 0.00 0.00 175.17 177.69 3jyh n MET 367 N -0.49 2.34 -3.94 2.11 0.00 -1.26 -4.00 117.12 111.88 3jyh n MET 367 Ca 0.04 -2.04 -0.21 0.00 0.00 0.00 0.00 57.70 55.48 3jyh n MET 367 Cb 0.63 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.35 3jyh n MET 367 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3jyh s PHE 368 N -1.42 3.22 1.06 3.17 0.08 -1.26 -4.36 117.98 118.47 3jyh s PHE 368 Ca 0.38 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 57.21 3jyh s PHE 368 Cb 0.21 -1.59 0.23 0.00 -0.57 0.00 0.00 43.02 41.30 3jyh s PHE 368 CO 0.29 0.38 1.08 -2.14 -0.10 0.00 0.00 175.22 174.73 3jyh s PRO 369 N -3.96 -0.13 -0.43 0.24 0.02 -1.26 -1.73 135.00 127.74 3jyh s PRO 369 Ca 0.36 1.14 -0.28 0.00 0.02 0.00 0.00 61.00 62.24 3jyh s PRO 369 Cb -0.08 -1.62 -0.02 0.00 0.02 0.00 0.00 34.50 32.79 3jyh s PRO 369 CO 0.28 -3.28 1.88 0.34 -0.33 0.00 0.00 177.00 175.89 3jyh s ASP 370 N -2.58 5.55 -0.42 2.53 -1.08 -1.26 -3.88 116.67 115.52 3jyh s ASP 370 Ca 0.68 0.98 0.03 0.00 -0.52 0.00 0.00 52.55 53.72 3jyh s ASP 370 Cb -0.24 -2.52 0.16 0.00 -1.46 0.00 0.00 42.92 38.85 3jyh s ASP 370 CO 0.62 -2.04 0.30 -0.76 0.52 0.00 0.00 175.17 173.81 3jyh s LEU 371 N 8.11 1.80 0.67 -1.34 1.43 0.23 -4.97 118.68 124.61 3jyh s LEU 371 Ca 0.78 -2.80 -0.13 0.00 -1.03 0.00 0.00 54.13 50.95 3jyh s LEU 371 Cb -0.19 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.40 3jyh s LEU 371 CO 0.29 -0.22 1.07 -2.16 0.23 0.00 0.00 176.35 175.56 3jyh s PRO 372 N 0.27 2.91 -0.33 1.29 0.04 -1.26 -2.51 135.00 135.41 3jyh s PRO 372 Ca 0.25 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.46 3jyh s PRO 372 Cb -0.10 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.62 3jyh s PRO 372 CO -0.10 -1.14 0.39 0.12 0.04 0.00 0.00 177.00 176.31 3jyh s PHE 373 N -2.71 -0.69 0.49 0.56 5.36 -1.26 -4.96 117.98 114.78 3jyh s PHE 373 Ca 0.62 -0.21 0.09 0.00 -0.96 0.00 0.00 56.93 56.47 3jyh s PHE 373 Cb -0.16 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.28 3jyh s PHE 373 CO 0.47 -0.98 0.66 0.95 -1.46 0.00 0.00 175.22 174.86 3jyh s THR 374 N 2.05 2.59 0.20 0.12 -4.23 -1.26 -4.26 115.64 110.84 3jyh s THR 374 Ca 0.13 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 3jyh s THR 374 Cb -0.13 -2.60 0.12 0.00 1.34 0.00 0.00 72.50 71.23 3jyh s THR 374 CO -0.19 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.09 3jyh h ASP 375 N 0.44 0.28 -0.45 3.99 3.32 -1.98 -1.08 116.42 120.94 3jyh h ASP 375 Ca -0.35 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 3jyh h ASP 375 Cb 1.28 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 3jyh h ASP 375 CO 0.44 0.18 0.06 -0.33 -1.72 0.00 0.00 179.24 177.87 3jyh h GLU 376 N 0.45 0.76 -0.72 3.56 3.07 -1.99 0.40 114.58 120.11 3jyh h GLU 376 Ca 0.28 -0.21 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3jyh h GLU 376 Cb 0.29 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 3jyh h GLU 376 CO -0.25 0.79 0.38 -0.07 -1.40 0.00 0.00 179.01 178.45 3jyh h LEU 377 N 0.62 0.91 -0.34 1.33 3.38 -1.93 -2.62 115.31 116.65 3jyh h LEU 377 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3jyh h LEU 377 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3jyh h LEU 377 CO 0.01 0.76 0.13 -0.09 0.09 0.00 0.00 178.44 179.34 3jyh h ARG 378 N 0.99 0.51 -0.35 1.13 2.43 -0.66 -2.61 114.38 115.83 3jyh h ARG 378 Ca 0.25 -0.10 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3jyh h ARG 378 Cb 0.06 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 3jyh h ARG 378 CO -0.04 0.52 -0.03 1.96 -1.51 0.00 0.00 179.97 180.87 3jyh h GLN 379 N 0.40 0.06 -0.28 0.20 4.20 -0.13 0.29 115.11 119.85 3jyh h GLN 379 Ca 0.11 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3jyh h GLN 379 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3jyh h GLN 379 CO -0.01 0.04 0.01 0.00 -0.67 0.00 0.00 178.83 178.21 3jyh h ARG 380 N 0.06 0.49 -0.42 1.46 3.08 -1.44 -1.17 114.38 116.45 3jyh h ARG 380 Ca 0.17 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3jyh h ARG 380 Cb 0.25 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3jyh h ARG 380 CO -0.31 0.63 0.21 -0.92 -1.07 0.00 0.00 179.97 178.51 3jyh h TYR 381 N 0.29 0.59 -0.27 3.04 3.20 -1.35 -2.03 116.97 120.44 3jyh h TYR 381 Ca 0.08 -0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 3jyh h TYR 381 Cb 0.40 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3jyh h TYR 381 CO 0.03 0.47 -0.46 0.00 -1.64 0.00 0.00 178.16 176.57 3jyh h LEU 383 N 0.57 0.28 -0.97 0.00 3.38 -1.03 -1.15 115.31 116.40 3jyh h LEU 383 Ca 0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3jyh h LEU 383 Cb 1.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3jyh h LEU 383 CO 0.10 0.29 -0.05 0.44 0.09 0.00 0.00 178.44 179.31 3jyh h ASP 384 N 0.25 0.67 0.10 -0.43 3.32 -1.23 -1.18 116.42 117.92 3jyh h ASP 384 Ca 0.08 -0.17 -0.31 0.00 0.02 0.00 0.00 57.03 56.65 3jyh h ASP 384 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3jyh h ASP 384 CO -0.01 0.77 -1.67 0.74 -1.72 0.00 0.00 179.24 177.35 3jyh h THR 385 N 0.64 0.82 0.00 0.35 2.02 -0.99 -3.42 112.91 112.34 3jyh h THR 385 Ca 0.12 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 64.96 3jyh h THR 385 Cb 0.48 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3jyh h THR 385 CO 0.02 0.73 -0.07 0.79 0.37 0.00 0.00 175.52 177.36 3jyh n TRP 386 N -3.81 0.00 -2.50 3.16 7.02 -0.49 -4.84 117.44 115.98 3jyh n TRP 386 Ca -0.29 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.04 3jyh n TRP 386 Cb 0.94 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.83 3jyh n TRP 386 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3jyh n GLY 387 N 0.97 -0.16 3.33 6.99 0.00 -0.44 -4.73 105.19 111.14 3jyh n GLY 387 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3jyh n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jyh s VAL 388 N -2.82 1.86 -0.21 1.61 -7.23 -1.18 -4.94 120.40 107.49 3jyh s VAL 388 Ca 0.09 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.40 3jyh s VAL 388 Cb -0.04 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3jyh s VAL 388 CO 0.12 -0.20 0.04 0.86 -0.31 0.00 0.00 175.10 175.61 3jyh s TRP 389 N -1.68 3.09 0.51 2.82 -0.11 -1.26 -2.77 118.94 119.54 3jyh s TRP 389 Ca 0.13 -0.35 -0.22 0.00 1.22 0.00 0.00 56.10 56.88 3jyh s TRP 389 Cb -0.07 -2.14 -0.07 0.00 -1.50 0.00 0.00 33.47 29.69 3jyh s TRP 389 CO 0.06 -0.21 1.20 -2.30 -4.62 0.00 0.00 176.95 171.08 3jyh n PRO 390 N 4.36 1.53 -3.82 5.86 -0.02 -1.20 -4.85 135.00 136.85 3jyh n PRO 390 Ca -0.17 0.56 -0.31 0.00 -2.02 0.00 0.00 63.50 61.56 3jyh n PRO 390 Cb 0.52 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 3jyh n PRO 390 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3jyh s ARG 391 N -2.58 2.59 0.33 -0.52 0.52 -0.86 -4.97 118.95 113.45 3jyh s ARG 391 Ca 0.69 -3.11 0.26 0.00 -0.52 0.00 0.00 55.73 53.04 3jyh s ARG 391 Cb -0.46 -3.57 1.13 0.00 0.52 0.00 0.00 34.95 32.57 3jyh s ARG 391 CO 0.52 -1.24 1.77 -1.00 0.02 0.00 0.00 175.30 175.37 3jyh h PRO 392 N 5.92 0.00 0.00 3.54 0.13 -1.91 -2.36 132.00 137.32 3jyh h PRO 392 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3jyh h PRO 392 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3jyh h PRO 392 CO 0.75 0.00 -0.66 0.38 -0.23 0.00 0.00 178.00 178.23 3jyh h ASP 393 N 0.00 0.00 -0.31 1.44 2.03 -1.93 -3.42 116.42 114.24 3jyh h ASP 393 Ca 0.00 -0.09 -0.17 0.00 -0.73 0.00 0.00 57.03 56.04 3jyh h ASP 393 Cb 0.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3jyh h ASP 393 CO 0.00 0.05 -0.44 -0.25 -1.03 0.00 0.00 179.24 177.56 3jyh h TRP 394 N 0.00 1.06 -0.78 4.15 2.91 -1.77 -2.69 115.95 118.84 3jyh h TRP 394 Ca 0.00 -0.34 -0.02 0.00 1.13 0.00 0.00 58.89 59.67 3jyh h TRP 394 Cb 0.88 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 29.27 3jyh h TRP 394 CO 0.00 1.15 0.42 1.25 -1.03 0.00 0.00 178.44 180.24 3jyh h LEU 395 N 0.70 0.96 -0.26 0.65 5.85 -1.78 0.12 115.31 121.56 3jyh h LEU 395 Ca 0.04 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3jyh h LEU 395 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3jyh h LEU 395 CO 0.10 0.78 0.04 0.25 -0.34 0.00 0.00 178.44 179.27 3jyh h LEU 396 N 1.08 0.41 -0.09 2.25 5.85 -1.76 0.14 115.31 123.20 3jyh h LEU 396 Ca 0.27 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3jyh h LEU 396 Cb 0.03 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3jyh h LEU 396 CO -0.04 0.56 -0.17 0.74 -0.34 0.00 0.00 178.44 179.19 3jyh h THR 397 N 0.23 0.57 -0.23 1.05 2.02 -1.11 -2.02 112.91 113.43 3jyh h THR 397 Ca 0.08 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.09 3jyh h THR 397 Cb 0.33 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3jyh h THR 397 CO 0.01 0.00 -0.53 -1.28 0.37 0.00 0.00 175.52 174.08 3jyh h SER 398 N -0.23 0.86 -0.00 4.18 0.87 -0.70 -3.39 113.55 115.13 3jyh h SER 398 Ca 0.08 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3jyh h SER 398 Cb 0.35 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3jyh h SER 398 CO -0.22 1.26 0.00 0.49 -0.53 0.00 0.00 176.83 177.83 3jyh n PHE 399 N -4.09 0.01 -0.53 2.24 3.72 0.49 -5.02 117.46 114.28 3jyh n PHE 399 Ca -0.06 -0.53 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3jyh n PHE 399 Cb 0.61 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3jyh n PHE 399 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3jyh n TRP 400 N -0.55 0.00 0.00 1.38 7.02 -0.76 -4.89 117.44 119.63 3jyh n TRP 400 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3jyh n TRP 400 Cb 0.28 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 3jyh n TRP 400 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3jyh n GLY 401 N -2.00 2.92 0.77 6.99 0.00 -1.25 -1.32 105.19 111.30 3jyh n GLY 401 Ca 0.00 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.43 3jyh n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 402 N 0.00 0.60 3.43 -0.02 0.00 -1.26 -4.75 105.19 103.19 3jyh n GLY 402 Ca 0.00 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 3jyh n GLY 402 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyh s ASP 403 N -2.02 6.81 -0.16 1.61 2.15 -0.43 -4.76 116.67 119.86 3jyh s ASP 403 Ca 0.31 -2.48 0.17 0.00 0.43 0.00 0.00 52.55 50.98 3jyh s ASP 403 Cb 0.20 -2.36 0.49 0.00 -0.30 0.00 0.00 42.92 40.95 3jyh s ASP 403 CO 0.32 -0.87 1.38 0.18 -0.17 0.00 0.00 175.17 176.01 3jyh n LEU 404 N 5.75 3.64 -0.27 -1.34 4.77 -1.26 -4.62 117.00 123.67 3jyh n LEU 404 Ca 0.26 -2.98 0.20 0.00 -0.03 0.00 0.00 56.01 53.46 3jyh n LEU 404 Cb 0.47 -0.51 0.51 0.00 -2.33 0.00 0.00 43.42 41.55 3jyh n LEU 404 CO 0.51 0.68 1.22 0.03 -1.33 0.00 0.00 177.39 178.50 3jyh h ARG 405 N 1.57 0.40 -0.00 3.23 3.08 -1.88 -1.31 114.38 119.48 3jyh h ARG 405 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3jyh h ARG 405 Cb 1.35 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3jyh h ARG 405 CO 0.18 0.27 -0.24 0.00 -1.07 0.00 0.00 179.97 179.11 3jyh n ALA 406 N -2.50 2.97 -1.90 0.04 0.00 -1.26 -4.87 120.51 112.98 3jyh n ALA 406 Ca 0.21 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 3jyh n ALA 406 Cb 0.74 -1.27 0.05 0.00 0.00 0.00 0.00 19.45 18.97 3jyh n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyh s ALA 407 N -2.81 2.88 0.01 0.00 0.00 -0.50 -5.11 121.76 116.24 3jyh s ALA 407 Ca 0.18 -0.44 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 3jyh s ALA 407 Cb 0.19 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.36 3jyh s ALA 407 CO 0.58 -1.23 0.34 -1.54 0.00 0.00 0.00 175.76 173.90 3jyh s SER 408 N -4.41 -0.20 -0.91 0.00 1.04 -1.26 -4.79 113.70 103.17 3jyh s SER 408 Ca 0.59 0.00 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 3jyh s SER 408 Cb -0.11 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3jyh s SER 408 CO 0.51 -0.54 0.77 0.59 0.98 0.00 0.00 173.24 175.55 3jyh n ASN 409 N 0.92 -3.36 -4.03 7.02 3.02 -0.85 -4.88 115.26 113.09 3jyh n ASN 409 Ca -0.20 -0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 53.62 3jyh n ASN 409 Cb 0.58 -4.22 -0.15 0.00 -0.61 0.00 0.00 39.78 35.38 3jyh n ASN 409 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jyh s ILE 410 N -3.30 0.88 -0.20 2.41 1.01 -0.75 -1.28 121.20 119.98 3jyh s ILE 410 Ca 0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3jyh s ILE 410 Cb -0.02 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 3jyh s ILE 410 CO 0.58 0.26 0.01 -0.63 0.00 0.00 0.00 174.94 175.17 3jyh s ILE 411 N 0.02 4.10 -0.36 2.92 1.01 -0.44 -1.62 121.20 126.83 3jyh s ILE 411 Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 3jyh s ILE 411 Cb -0.07 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.57 3jyh s ILE 411 CO 0.00 0.43 0.18 -0.36 0.00 0.00 0.00 174.94 175.19 3jyh s PHE 412 N 0.94 3.24 0.07 3.97 0.08 0.37 -0.46 117.98 126.19 3jyh s PHE 412 Ca 0.02 -1.05 0.02 0.00 0.12 0.00 0.00 56.93 56.04 3jyh s PHE 412 Cb -0.14 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 3jyh s PHE 412 CO 0.02 -0.65 0.13 -1.54 -0.10 0.00 0.00 175.22 173.07 3jyh s SER 413 N 1.52 5.84 -0.01 1.36 1.04 -0.90 -0.89 113.70 121.66 3jyh s SER 413 Ca 0.01 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.41 3jyh s SER 413 Cb -0.19 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.29 3jyh s SER 413 CO 0.06 0.17 0.27 0.20 0.98 0.00 0.00 173.24 174.92 3jyh s ASN 414 N -2.43 -0.14 -0.13 7.02 0.01 -0.48 0.08 114.94 118.87 3jyh s ASN 414 Ca 0.31 0.01 -0.05 0.00 -0.71 0.00 0.00 52.86 52.41 3jyh s ASN 414 Cb -0.12 0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.79 3jyh s ASN 414 CO 0.24 -0.44 0.07 -0.83 -1.51 0.00 0.00 177.10 174.63 3jyh s GLY 415 N -1.39 1.98 0.60 0.66 0.00 -1.25 -0.47 107.32 107.46 3jyh s GLY 415 Ca -0.13 -0.73 0.37 0.00 0.00 0.00 0.00 44.72 44.23 3jyh s GLY 415 CO 0.03 -0.31 2.22 3.45 0.00 0.00 0.00 173.10 178.50 3jyh h ASN 416 N 5.56 0.00 0.83 1.64 -1.07 -1.00 -0.06 115.58 121.49 3jyh h ASN 416 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3jyh h ASN 416 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 3jyh h ASN 416 CO 0.61 0.03 -0.20 0.18 0.07 0.00 0.00 177.43 178.12 3jyh n LEU 417 N -3.33 0.22 -4.67 6.14 4.77 -0.04 -4.86 117.00 115.23 3jyh n LEU 417 Ca -0.02 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 3jyh n LEU 417 Cb 0.15 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 3jyh n LEU 417 CO 0.25 0.04 0.90 -0.62 -1.33 0.00 0.00 177.39 176.63 3jyh s ASP 418 N -3.08 7.12 0.51 -1.43 2.15 -0.04 -4.71 116.67 117.20 3jyh s ASP 418 Ca 0.13 1.47 0.35 0.00 0.43 0.00 0.00 52.55 54.92 3jyh s ASP 418 Cb 0.18 -2.54 1.83 0.00 -0.30 0.00 0.00 42.92 42.09 3jyh s ASP 418 CO 0.60 -0.62 2.06 1.55 -0.17 0.00 0.00 175.17 178.59 3jyh h PRO 419 N 7.42 0.00 0.00 4.34 0.13 -1.86 -1.08 132.00 140.96 3jyh h PRO 419 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3jyh h PRO 419 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3jyh h PRO 419 CO 0.94 0.00 0.00 -1.49 -0.23 0.00 0.00 178.00 177.22 3jyh h TRP 420 N 0.00 0.00 -0.96 1.56 4.06 -1.91 -3.35 115.95 115.35 3jyh h TRP 420 Ca 0.00 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.04 3jyh h TRP 420 Cb 0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.15 3jyh h TRP 420 CO 0.00 0.00 0.62 0.00 -3.56 0.00 0.00 178.44 175.50 3jyh h ALA 421 N 2.48 1.52 0.00 1.49 0.00 -1.45 -1.67 119.26 121.64 3jyh h ALA 421 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jyh h ALA 421 Cb 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3jyh h ALA 421 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 3jyh n GLY 422 N -1.38 -1.04 1.16 0.00 0.00 -1.26 -1.97 105.19 100.70 3jyh n GLY 422 Ca 0.16 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3jyh n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 423 N 0.35 1.80 0.00 -0.02 0.00 -0.63 -4.90 105.19 101.78 3jyh n GLY 423 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3jyh n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 424 N 1.52 4.87 3.69 -0.02 0.00 -0.83 -1.39 105.19 113.02 3jyh n GLY 424 Ca 0.20 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 3jyh n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jyh s ILE 425 N -0.62 5.09 0.00 -0.61 -1.09 -1.26 -4.78 121.20 117.93 3jyh s ILE 425 Ca 0.00 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 3jyh s ILE 425 Cb 0.00 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 3jyh s ILE 425 CO 0.00 0.21 0.34 0.54 -1.23 0.00 0.00 174.94 174.79 3jyh n ARG 426 N 4.43 0.66 -4.26 2.79 1.74 -1.26 -4.79 116.66 115.97 3jyh n ARG 426 Ca -0.04 -0.34 -0.16 0.00 -0.77 0.00 0.00 57.85 56.54 3jyh n ARG 426 Cb 0.51 -0.82 -0.11 0.00 -1.02 0.00 0.00 32.46 31.02 3jyh n ARG 426 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3jyh s ARG 427 N -0.19 1.08 0.34 5.56 1.70 -1.26 -4.87 118.95 121.30 3jyh s ARG 427 Ca 0.00 -1.37 -0.29 0.00 -0.47 0.00 0.00 55.73 53.60 3jyh s ARG 427 Cb 0.00 -0.82 -0.11 0.00 -0.57 0.00 0.00 34.95 33.45 3jyh s ARG 427 CO 0.00 0.13 1.55 -0.80 -1.08 0.00 0.00 175.30 175.10 3jyh s ASN 428 N -2.85 6.34 -0.03 -2.89 0.01 -1.26 -4.19 114.94 110.07 3jyh s ASN 428 Ca 0.14 3.01 0.14 0.00 -0.71 0.00 0.00 52.86 55.45 3jyh s ASN 428 Cb -0.01 -2.65 -0.22 0.00 0.41 0.00 0.00 41.25 38.77 3jyh s ASN 428 CO 0.03 -0.90 0.30 0.18 -1.51 0.00 0.00 177.10 175.19 3jyh n LEU 429 N 1.31 0.00 0.00 0.60 4.77 0.66 -4.94 117.00 119.40 3jyh n LEU 429 Ca 0.05 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3jyh n LEU 429 Cb 0.38 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3jyh n LEU 429 CO 0.64 0.03 0.29 -1.54 -1.33 0.00 0.00 177.39 175.48 3jyh n SER 430 N -2.05 -0.82 0.15 -1.43 3.41 -1.03 -4.83 113.62 107.01 3jyh n SER 430 Ca -0.04 -1.50 0.05 0.00 -0.26 0.00 0.00 58.87 57.12 3jyh n SER 430 Cb 0.43 1.36 0.50 0.00 -0.26 0.00 0.00 64.21 66.24 3jyh n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyh h ALA 431 N 2.00 1.76 -0.00 7.33 0.00 -1.97 -3.25 119.26 125.12 3jyh h ALA 431 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jyh h ALA 431 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jyh h ALA 431 CO 0.16 0.19 -0.06 -1.13 0.00 0.00 0.00 179.25 178.41 3jyh n SER 432 N -4.43 0.99 -4.26 0.00 3.41 -1.26 -4.82 113.62 103.25 3jyh n SER 432 Ca -0.01 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.21 3jyh n SER 432 Cb 0.14 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 3jyh n SER 432 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jyh s VAL 433 N -0.71 4.18 -0.07 -3.33 1.01 -1.23 -1.80 120.40 118.45 3jyh s VAL 433 Ca 0.04 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.64 3jyh s VAL 433 Cb 0.04 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 3jyh s VAL 433 CO 0.09 -0.52 -0.25 -0.63 0.00 0.00 0.00 175.10 173.80 3jyh s ILE 434 N 1.41 2.07 -0.08 2.22 -1.09 -0.64 -0.25 121.20 124.84 3jyh s ILE 434 Ca 0.03 -1.05 -0.05 0.00 -2.23 0.00 0.00 60.65 57.35 3jyh s ILE 434 Cb -0.23 -1.75 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 3jyh s ILE 434 CO 0.02 0.57 0.13 0.00 -1.23 0.00 0.00 174.94 174.43 3jyh s ALA 435 N -0.06 3.82 -0.08 9.38 0.00 -1.26 -0.48 121.76 133.08 3jyh s ALA 435 Ca -0.07 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3jyh s ALA 435 Cb -0.15 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.11 3jyh s ALA 435 CO 0.05 0.65 -0.14 0.08 0.00 0.00 0.00 175.76 176.40 3jyh s VAL 436 N -1.10 1.30 -0.14 0.00 1.01 -0.07 -4.72 120.40 116.68 3jyh s VAL 436 Ca 0.18 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3jyh s VAL 436 Cb -0.12 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3jyh s VAL 436 CO 0.08 0.40 -0.03 -0.89 0.00 0.00 0.00 175.10 174.65 3jyh s THR 437 N 0.78 3.95 -0.38 3.92 2.01 -1.26 -1.39 115.64 123.27 3jyh s THR 437 Ca -0.12 -0.35 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 3jyh s THR 437 Cb -0.16 -2.71 0.06 0.00 0.01 0.00 0.00 72.50 69.71 3jyh s THR 437 CO 0.02 0.52 0.18 -0.63 -0.69 0.00 0.00 174.62 174.01 3jyh s ILE 438 N 0.10 3.90 0.03 1.82 1.01 0.38 -4.95 121.20 123.50 3jyh s ILE 438 Ca -0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.00 3jyh s ILE 438 Cb -0.13 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 3jyh s ILE 438 CO 0.03 -0.36 1.29 -1.10 0.00 0.00 0.00 174.94 174.79 3jyh s GLN 439 N 1.38 4.35 -0.09 2.79 -1.52 -1.26 -1.43 119.66 123.89 3jyh s GLN 439 Ca 0.01 1.86 0.00 0.00 -1.95 0.00 0.00 55.36 55.29 3jyh s GLN 439 Cb -0.21 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 3jyh s GLN 439 CO 0.02 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.05 3jyh n GLY 440 N 3.42 0.48 3.78 3.09 0.00 -1.26 -4.56 105.19 110.14 3jyh n GLY 440 Ca 0.11 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3jyh n GLY 440 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jyh s GLY 441 N -2.30 2.08 0.00 -0.02 0.00 -0.82 -4.87 107.32 101.38 3jyh s GLY 441 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3jyh s GLY 441 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 173.10 173.08 3jyh n ALA 442 N 3.03 0.00 -2.62 3.20 0.00 -1.26 -0.86 120.51 121.99 3jyh n ALA 442 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 3jyh n ALA 442 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 3jyh n ALA 442 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jyh s HIS 443 N 2.68 3.03 -1.16 0.00 2.46 -0.35 -3.79 115.29 118.15 3jyh s HIS 443 Ca 0.00 1.01 -0.10 0.00 0.47 0.00 0.00 55.06 56.44 3jyh s HIS 443 Cb 0.00 -3.95 0.01 0.00 -0.13 0.00 0.00 32.58 28.51 3jyh s HIS 443 CO 0.00 -0.95 0.18 -2.39 -2.47 0.00 0.00 174.74 169.11 3jyh n HIS 444 N 7.21 -1.04 -0.07 3.88 1.44 -1.26 -4.86 115.22 120.52 3jyh n HIS 444 Ca 0.12 0.34 0.02 0.00 -2.01 0.00 0.00 57.72 56.19 3jyh n HIS 444 Cb 0.48 -2.25 0.34 0.00 0.12 0.00 0.00 29.99 28.68 3jyh n HIS 444 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3jyh h LEU 445 N -1.36 0.61 -2.11 2.39 5.85 -1.94 -2.66 115.31 116.09 3jyh h LEU 445 Ca -0.55 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.22 3jyh h LEU 445 Cb 1.13 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3jyh h LEU 445 CO 0.52 0.48 0.25 -2.24 -0.34 0.00 0.00 178.44 177.11 3jyh h ASP 446 N 0.70 0.00 1.75 1.25 2.03 -1.92 -1.40 116.42 118.83 3jyh h ASP 446 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3jyh h ASP 446 Cb -0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 3jyh h ASP 446 CO -0.03 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.11 3jyh h LEU 447 N 0.00 0.00-10.21 0.15 3.38 -1.83 -3.44 115.31 103.36 3jyh h LEU 447 Ca 0.14 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.59 3jyh h LEU 447 Cb 0.64 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.52 3jyh h LEU 447 CO -0.00 0.00 0.36 -0.13 0.09 0.00 0.00 178.44 178.76 3jyh s ARG 448 N -3.20 2.41 0.64 1.13 0.52 -0.53 -0.74 118.95 119.19 3jyh s ARG 448 Ca 0.08 1.48 -0.18 0.00 -0.52 0.00 0.00 55.73 56.59 3jyh s ARG 448 Cb 0.08 -1.89 -0.01 0.00 0.52 0.00 0.00 34.95 33.64 3jyh s ARG 448 CO 0.63 -1.57 1.24 0.00 0.02 0.00 0.00 175.30 175.63 3jyh s ALA 449 N -2.33 2.40 0.32 2.13 0.00 -1.26 -3.24 121.76 119.78 3jyh s ALA 449 Ca 0.68 1.06 -0.28 0.00 0.00 0.00 0.00 51.96 53.42 3jyh s ALA 449 Cb -0.23 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 3jyh s ALA 449 CO 0.46 -1.47 1.19 0.43 0.00 0.00 0.00 175.76 176.36 3jyh n SER 450 N -1.94 2.22 -3.82 0.00 7.64 -1.26 -4.88 113.62 111.57 3jyh n SER 450 Ca 0.14 1.20 -0.13 0.00 1.01 0.00 0.00 58.87 61.09 3jyh n SER 450 Cb 0.49 -1.41 -0.14 0.00 -1.01 0.00 0.00 64.21 62.14 3jyh n SER 450 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3jyh s HIS 451 N -1.07 -0.06 0.51 1.43 5.04 -1.26 -5.04 115.29 114.86 3jyh s HIS 451 Ca 0.57 0.18 0.33 0.00 -1.54 0.00 0.00 55.06 54.60 3jyh s HIS 451 Cb -0.62 -0.04 1.47 0.00 0.04 0.00 0.00 32.58 33.44 3jyh s HIS 451 CO 0.61 -0.06 1.79 -1.35 -2.34 0.00 0.00 174.74 173.40 3jyh h PRO 452 N 6.43 0.07 -0.13 2.88 0.11 -2.02 0.59 132.00 139.93 3jyh h PRO 452 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3jyh h PRO 452 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jyh h PRO 452 CO 0.47 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 3jyh n GLU 453 N -4.27 1.57 -1.64 1.05 -0.58 -1.26 -4.94 120.64 110.56 3jyh n GLU 453 Ca 0.26 -0.86 -0.45 0.00 -0.42 0.00 0.00 57.16 55.69 3jyh n GLU 453 Cb 1.19 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 30.66 3jyh n GLU 453 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3jyh n ASP 454 N 0.08 2.29 -4.76 1.62 8.00 0.20 -4.81 116.55 119.17 3jyh n ASP 454 Ca 0.16 1.15 -0.34 0.00 0.71 0.00 0.00 54.79 56.47 3jyh n ASP 454 Cb 0.27 -1.37 0.05 0.00 -0.02 0.00 0.00 41.12 40.05 3jyh n ASP 454 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jyh s PRO 455 N -0.65 2.76 0.39 -0.24 0.04 -1.26 -4.92 135.00 131.12 3jyh s PRO 455 Ca 0.67 1.57 0.10 0.00 0.04 0.00 0.00 61.00 63.38 3jyh s PRO 455 Cb -0.69 -1.93 0.88 0.00 0.04 0.00 0.00 34.50 32.80 3jyh s PRO 455 CO 0.52 -1.31 1.95 0.00 0.04 0.00 0.00 177.00 178.20 3jyh h ALA 456 N 0.27 1.87 -0.61 8.56 0.00 -1.93 -2.51 119.26 124.90 3jyh h ALA 456 Ca -0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3jyh h ALA 456 Cb 1.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3jyh h ALA 456 CO 0.54 -0.01 0.09 1.03 0.00 0.00 0.00 179.25 180.89 3jyh h SER 457 N 0.60 0.97 -0.46 0.00 0.87 -1.91 -1.26 113.55 112.36 3jyh h SER 457 Ca 0.33 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3jyh h SER 457 Cb 0.48 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3jyh h SER 457 CO -0.11 0.99 0.11 1.62 -0.53 0.00 0.00 176.83 178.91 3jyh h VAL 458 N 0.92 1.22 -0.45 2.23 3.04 -1.69 -0.09 116.25 121.42 3jyh h VAL 458 Ca 0.18 -0.82 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3jyh h VAL 458 Cb 0.43 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 3jyh h VAL 458 CO 0.01 0.30 0.27 0.58 -1.01 0.00 0.00 177.57 177.73 3jyh h VAL 459 N 0.77 1.14 -0.46 1.51 2.07 -1.30 -0.74 116.25 119.25 3jyh h VAL 459 Ca 0.17 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 3jyh h VAL 459 Cb 0.31 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3jyh h VAL 459 CO 0.00 0.15 0.08 -0.33 0.02 0.00 0.00 177.57 177.48 3jyh h GLU 460 N 0.60 0.76 -0.60 1.57 5.08 -1.12 -2.70 114.58 118.17 3jyh h GLU 460 Ca 0.16 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3jyh h GLU 460 Cb 0.00 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3jyh h GLU 460 CO -0.03 0.77 0.37 0.00 -1.00 0.00 0.00 179.01 179.12 3jyh h ALA 461 N 0.95 0.78 -0.61 3.43 0.00 -0.61 -1.02 119.26 122.17 3jyh h ALA 461 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3jyh h ALA 461 Cb 0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3jyh h ALA 461 CO 0.01 0.10 0.10 0.00 0.00 0.00 0.00 179.25 179.46 3jyh h ARG 462 N 0.72 0.99 -0.35 0.00 3.08 -1.12 0.10 114.38 117.80 3jyh h ARG 462 Ca 0.24 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3jyh h ARG 462 Cb 0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3jyh h ARG 462 CO -0.10 0.92 0.12 0.87 -1.07 0.00 0.00 179.97 180.70 3jyh h LYS 463 N 0.94 0.54 -0.44 0.04 6.56 -1.23 0.36 116.57 123.34 3jyh h LYS 463 Ca 0.19 -0.11 0.02 0.00 -1.06 0.00 0.00 60.65 59.69 3jyh h LYS 463 Cb 0.41 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 3jyh h LYS 463 CO 0.01 0.56 0.26 1.25 -2.06 0.00 0.00 179.45 179.46 3jyh h LEU 464 N 0.42 0.42 0.08 2.94 5.85 -0.95 -2.23 115.31 121.85 3jyh h LEU 464 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3jyh h LEU 464 Cb 0.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3jyh h LEU 464 CO -0.01 0.30 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.02 3jyh h GLU 465 N 0.52 -0.11 -0.87 1.25 5.08 -0.53 -2.07 114.58 117.85 3jyh h GLU 465 Ca 0.18 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.72 3jyh h GLU 465 Cb 0.02 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.18 3jyh h GLU 465 CO -0.08 -0.02 0.43 0.00 -1.00 0.00 0.00 179.01 178.34 3jyh h ALA 466 N 0.74 1.36 -0.03 3.43 0.00 -0.19 0.21 119.26 124.77 3jyh h ALA 466 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3jyh h ALA 466 Cb 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3jyh h ALA 466 CO 0.02 -0.19 -0.04 1.15 0.00 0.00 0.00 179.25 180.19 3jyh h THR 467 N 0.54 1.40 -0.44 0.00 2.02 -1.27 -1.01 112.91 114.15 3jyh h THR 467 Ca 0.51 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3jyh h THR 467 Cb 0.82 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3jyh h THR 467 CO -0.43 0.34 0.28 0.40 0.37 0.00 0.00 175.52 176.48 3jyh h ILE 468 N -0.40 1.12 -0.78 3.11 2.04 -1.08 -1.33 117.51 120.19 3jyh h ILE 468 Ca 0.00 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3jyh h ILE 468 Cb 0.57 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3jyh h ILE 468 CO 0.01 0.12 0.33 0.40 0.00 0.00 0.00 178.15 179.01 3jyh h ILE 469 N 0.59 1.25 -0.47 -0.67 2.04 -0.95 -1.13 117.51 118.18 3jyh h ILE 469 Ca 0.16 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3jyh h ILE 469 Cb -0.04 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 3jyh h ILE 469 CO -0.03 0.32 0.23 1.23 0.00 0.00 0.00 178.15 179.90 3jyh h GLY 470 N 1.15 0.65 1.17 5.37 0.00 -0.96 -1.66 103.07 108.79 3jyh h GLY 470 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 3jyh h GLY 470 CO -0.03 0.11 0.24 1.05 0.00 0.00 0.00 176.54 177.91 3jyh h GLU 471 N 0.47 1.05 -0.44 4.80 9.09 -0.70 -1.27 114.58 127.57 3jyh h GLU 471 Ca 0.20 -0.20 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3jyh h GLU 471 Cb 0.11 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 27.02 3jyh h GLU 471 CO -0.14 0.88 0.28 -1.49 0.05 0.00 0.00 179.01 178.59 3jyh h TRP 472 N 1.02 0.56 -0.15 2.06 6.55 -0.93 -0.54 115.95 124.52 3jyh h TRP 472 Ca 0.23 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.07 3jyh h TRP 472 Cb 0.25 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.36 3jyh h TRP 472 CO 0.02 0.37 0.05 0.28 -1.05 0.00 0.00 178.44 178.11 3jyh h VAL 473 N 0.59 1.17 -0.55 1.49 2.07 -1.05 -1.21 116.25 118.77 3jyh h VAL 473 Ca 0.16 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3jyh h VAL 473 Cb -0.05 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3jyh h VAL 473 CO -0.03 0.16 0.17 0.11 0.02 0.00 0.00 177.57 178.00 3jyh h LYS 474 N 0.07 0.82 -0.02 1.57 6.56 -1.20 -1.38 116.57 123.00 3jyh h LYS 474 Ca 0.05 -0.15 -0.16 0.00 -1.06 0.00 0.00 60.65 59.33 3jyh h LYS 474 Cb 0.21 -0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 3jyh h LYS 474 CO -0.00 0.71 -0.72 0.00 -2.06 0.00 0.00 179.45 177.39 3jyh h ALA 475 N 1.39 0.77 -0.21 3.86 0.00 -0.93 -2.07 119.26 122.07 3jyh h ALA 475 Ca 0.18 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 3jyh h ALA 475 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jyh h ALA 475 CO -0.01 0.85 -0.55 0.00 0.00 0.00 0.00 179.25 179.54 3jyh h ALA 476 N 1.20 0.34 -0.18 0.00 0.00 -0.98 -1.94 119.26 117.70 3jyh h ALA 476 Ca -0.02 -0.52 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3jyh h ALA 476 Cb 1.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3jyh h ALA 476 CO 0.10 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.95 3jyh h ARG 477 N 0.46 0.11 -0.08 0.00 2.47 -1.24 -3.31 114.38 112.79 3jyh h ARG 477 Ca -0.01 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 3jyh h ARG 477 Cb 1.17 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3jyh h ARG 477 CO 0.12 0.07 -0.23 0.00 0.56 0.00 0.00 179.97 180.50 3jyh h ARG 478 N 0.12 0.30 -0.01 0.04 2.47 -1.38 -3.52 114.38 112.40 3jyh h ARG 478 Ca 0.08 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3jyh h ARG 478 Cb 0.07 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3jyh h ARG 478 CO -0.11 0.83 0.00 -0.85 0.56 0.00 0.00 179.97 180.40