#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyh n PRO 29 N 0.00 0.04 -2.87 -0.67 -0.02 -1.26 -4.90 135.00 125.32 3jyh n PRO 29 Ca 0.00 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 3jyh n PRO 29 Cb 0.00 -1.60 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3jyh n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jyh n GLY 30 N -0.55 -0.33 3.74 -1.23 0.00 -1.26 -4.44 105.19 101.13 3jyh n GLY 30 Ca 0.02 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.26 2.84 -0.16 1.61 0.08 -1.26 -4.71 117.98 113.12 3jyh s PHE 31 Ca 0.16 0.73 -0.04 0.00 0.12 0.00 0.00 56.93 57.90 3jyh s PHE 31 Cb -0.02 -4.04 -0.03 0.00 -0.57 0.00 0.00 43.02 38.36 3jyh s PHE 31 CO 0.52 -3.58 -0.03 -0.65 -0.10 0.00 0.00 175.22 171.37 3jyh s GLN 32 N -0.08 3.67 -0.14 0.44 -0.21 0.96 -4.88 119.66 119.41 3jyh s GLN 32 Ca 0.65 -0.52 -0.29 0.00 0.02 0.00 0.00 55.36 55.22 3jyh s GLN 32 Cb -0.47 -2.93 -0.01 0.00 1.00 0.00 0.00 33.01 30.61 3jyh s GLN 32 CO 0.43 0.22 0.98 -2.00 -2.12 0.00 0.00 175.29 172.81 3jyh s GLU 33 N 0.41 4.37 0.28 2.91 2.12 -1.26 -0.70 118.70 126.82 3jyh s GLU 33 Ca -0.04 1.32 0.03 0.00 0.36 0.00 0.00 54.97 56.64 3jyh s GLU 33 Cb -0.14 -3.57 -0.06 0.00 0.26 0.00 0.00 34.13 30.63 3jyh s GLU 33 CO 0.03 -0.37 0.04 1.03 -0.54 0.00 0.00 175.26 175.45 3jyh s ARG 34 N 2.25 1.49 -0.02 4.30 1.81 0.32 -5.01 118.95 124.09 3jyh s ARG 34 Ca 0.46 -1.80 0.03 0.00 -1.72 0.00 0.00 55.73 52.70 3jyh s ARG 34 Cb -0.17 -0.65 -0.00 0.00 -0.45 0.00 0.00 34.95 33.67 3jyh s ARG 34 CO 0.15 -0.18 -0.11 -0.06 -0.68 0.00 0.00 175.30 174.42 3jyh s PHE 35 N -3.44 1.10 -0.13 -0.53 0.08 -1.26 -0.86 117.98 112.94 3jyh s PHE 35 Ca 0.34 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 3jyh s PHE 35 Cb 0.07 -0.75 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 3jyh s PHE 35 CO 0.13 -0.09 -0.08 0.12 -0.10 0.00 0.00 175.22 175.20 3jyh s PHE 36 N 0.06 2.92 -0.60 0.36 5.36 0.52 -4.91 117.98 121.70 3jyh s PHE 36 Ca -0.01 -0.38 -0.27 0.00 -0.96 0.00 0.00 56.93 55.30 3jyh s PHE 36 Cb -0.08 -1.87 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 3jyh s PHE 36 CO 0.01 -0.05 1.57 -0.65 -1.46 0.00 0.00 175.22 174.64 3jyh s GLN 37 N 0.17 3.05 -0.04 10.12 -1.52 -1.26 -0.41 119.66 129.77 3jyh s GLN 37 Ca -0.04 0.44 -0.03 0.00 -1.95 0.00 0.00 55.36 53.78 3jyh s GLN 37 Cb -0.14 -4.23 -0.04 0.00 -0.22 0.00 0.00 33.01 28.38 3jyh s GLN 37 CO 0.04 -2.24 0.12 -1.14 -0.25 0.00 0.00 175.29 171.81 3jyh s GLN 38 N 6.09 3.25 0.21 2.91 2.00 0.17 -4.82 119.66 129.46 3jyh s GLN 38 Ca 0.56 -0.35 -0.32 0.00 -2.00 0.00 0.00 55.36 53.25 3jyh s GLN 38 Cb -0.12 -3.00 -0.11 0.00 0.80 0.00 0.00 33.01 30.58 3jyh s GLN 38 CO 0.22 0.69 1.67 0.50 -0.50 0.00 0.00 175.29 177.88 3jyh s ARG 39 N -1.56 4.14 0.08 1.67 3.52 -1.26 0.31 118.95 125.86 3jyh s ARG 39 Ca 0.21 2.56 -0.24 0.00 -0.13 0.00 0.00 55.73 58.14 3jyh s ARG 39 Cb -0.12 -3.08 -0.15 0.00 -1.56 0.00 0.00 34.95 30.03 3jyh s ARG 39 CO 0.12 -0.71 1.71 -0.07 -0.81 0.00 0.00 175.30 175.55 3jyh h LEU 40 N 6.49 -0.04 -7.36 -0.88 3.38 -1.63 -3.42 115.31 111.85 3jyh h LEU 40 Ca -0.44 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 3jyh h LEU 40 Cb 1.20 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.57 3jyh h LEU 40 CO 0.92 -0.01 -0.76 -0.62 0.09 0.00 0.00 178.44 178.07 3jyh s ASP 41 N -5.17 3.98 0.53 -0.43 -1.08 -1.26 -4.97 116.67 108.26 3jyh s ASP 41 Ca -0.13 -1.53 0.32 0.00 -0.52 0.00 0.00 52.55 50.69 3jyh s ASP 41 Cb 0.06 -1.02 1.19 0.00 -1.46 0.00 0.00 42.92 41.69 3jyh s ASP 41 CO 0.66 -0.36 1.92 0.45 0.52 0.00 0.00 175.17 178.36 3jyh h HIS 42 N 8.00 0.00 -0.08 -5.34 3.86 -1.94 -3.34 115.15 116.32 3jyh h HIS 42 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3jyh h HIS 42 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 3jyh h HIS 42 CO 0.40 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.38 3jyh n PHE 43 N -3.08 0.09 -3.67 2.45 3.72 -1.26 -4.93 117.46 110.78 3jyh n PHE 43 Ca 0.01 -0.09 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3jyh n PHE 43 Cb 0.34 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.99 -0.37 0.00 4.37 3.84 -1.25 -5.05 114.94 115.49 3jyh s ASN 44 Ca 0.16 0.99 0.27 0.00 0.21 0.00 0.00 52.86 54.48 3jyh s ASN 44 Cb 0.10 1.18 0.86 0.00 -0.55 0.00 0.00 41.25 42.85 3jyh s ASN 44 CO 0.15 -0.22 1.66 0.49 -2.79 0.00 0.00 177.10 176.39 3jyh n PHE 45 N 5.00 0.00 -0.03 0.43 3.72 -1.26 -4.48 117.46 120.84 3jyh n PHE 45 Ca -0.14 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.21 3jyh n PHE 45 Cb 0.52 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.43 0.16 -0.29 -1.08 1.02 -1.26 -4.07 120.64 113.69 3jyh n GLU 46 Ca 0.07 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.28 3jyh n GLU 46 Cb 0.33 -0.99 0.15 0.00 -0.02 0.00 0.00 31.44 30.92 3jyh n GLU 46 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jyh h ARG 47 N -0.10 0.80 0.00 3.49 3.08 -1.99 -2.70 114.38 116.97 3jyh h ARG 47 Ca -0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 3jyh h ARG 47 Cb 1.20 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 3jyh h ARG 47 CO -0.06 0.53 -0.50 1.19 -1.07 0.00 0.00 179.97 180.07 3jyh n PHE 48 N -4.71 0.00 -0.28 3.04 3.72 -1.26 -5.10 117.46 112.86 3jyh n PHE 48 Ca 0.13 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.14 3jyh n PHE 48 Cb 0.24 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.03 2.27 1.72 1.37 0.00 -1.02 -0.99 105.19 107.51 3jyh n GLY 49 Ca 0.18 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 3jyh n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jyh n ASN 50 N 0.45 3.62 -4.76 1.61 6.94 -1.26 -4.58 115.26 117.27 3jyh n ASN 50 Ca 0.00 -3.52 -0.35 0.00 -0.02 0.00 0.00 54.58 50.69 3jyh n ASN 50 Cb 0.00 -0.73 0.03 0.00 -2.36 0.00 0.00 39.78 36.73 3jyh n ASN 50 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3jyh s LYS 51 N -3.17 2.94 0.24 -3.83 1.02 -0.16 -4.91 119.74 111.87 3jyh s LYS 51 Ca 0.51 1.64 0.04 0.00 0.02 0.00 0.00 55.97 58.18 3jyh s LYS 51 Cb 0.44 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 3jyh s LYS 51 CO 0.08 -1.19 -0.00 0.95 -0.92 0.00 0.00 175.35 174.27 3jyh s THR 52 N -1.90 1.10 0.06 2.17 -4.23 -1.26 -1.68 115.64 109.91 3jyh s THR 52 Ca 0.73 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3jyh s THR 52 Cb -0.26 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 3jyh s THR 52 CO 0.35 -0.30 -0.04 0.72 -0.54 0.00 0.00 174.62 174.81 3jyh s PHE 53 N -3.38 0.62 -0.30 3.99 -0.12 0.15 -4.80 117.98 114.15 3jyh s PHE 53 Ca 0.29 -1.02 -0.25 0.00 -0.05 0.00 0.00 56.93 55.89 3jyh s PHE 53 Cb 0.06 -0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.03 3jyh s PHE 53 CO 0.09 -0.32 0.89 -1.25 -0.05 0.00 0.00 175.22 174.59 3jyh s PRO 54 N -3.88 4.04 -0.20 1.99 0.05 -1.26 0.43 135.00 136.17 3jyh s PRO 54 Ca 0.08 0.82 -0.17 0.00 0.05 0.00 0.00 61.00 61.79 3jyh s PRO 54 Cb 0.07 -3.71 -0.04 0.00 0.05 0.00 0.00 34.50 30.87 3jyh s PRO 54 CO -0.09 -0.71 0.43 -1.14 0.05 0.00 0.00 177.00 175.54 3jyh s GLN 55 N 3.14 4.19 0.31 4.56 0.74 0.45 -4.18 119.66 128.86 3jyh s GLN 55 Ca 0.37 0.26 -0.28 0.00 0.05 0.00 0.00 55.36 55.76 3jyh s GLN 55 Cb -0.14 -3.53 -0.09 0.00 1.10 0.00 0.00 33.01 30.34 3jyh s GLN 55 CO 0.12 -0.05 1.03 0.50 -0.55 0.00 0.00 175.29 176.35 3jyh s ARG 56 N 1.33 4.56 0.04 1.67 3.52 -1.26 -0.35 118.95 128.46 3jyh s ARG 56 Ca 0.20 1.60 -0.00 0.00 -0.13 0.00 0.00 55.73 57.41 3jyh s ARG 56 Cb -0.15 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 3jyh s ARG 56 CO 0.08 0.20 -0.04 -0.59 -0.81 0.00 0.00 175.30 174.15 3jyh s PHE 57 N -1.35 0.42 -0.13 5.12 -0.12 -0.04 -1.48 117.98 120.41 3jyh s PHE 57 Ca 0.48 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3jyh s PHE 57 Cb -0.27 -0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3jyh s PHE 57 CO 0.34 -0.24 -0.02 -0.51 -0.05 0.00 0.00 175.22 174.73 3jyh s LEU 58 N -2.05 3.38 -0.02 -1.99 1.43 0.60 -0.52 118.68 119.51 3jyh s LEU 58 Ca -0.06 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3jyh s LEU 58 Cb -0.03 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3jyh s LEU 58 CO -0.04 0.25 -0.14 0.54 0.23 0.00 0.00 176.35 177.19 3jyh s VAL 59 N -0.14 1.14 -0.11 -1.59 0.11 0.12 -0.74 120.40 119.18 3jyh s VAL 59 Ca 0.04 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3jyh s VAL 59 Cb -0.13 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 3jyh s VAL 59 CO 0.02 0.33 -0.03 -0.55 -3.33 0.00 0.00 175.10 171.54 3jyh s SER 60 N -0.10 2.10 -0.10 3.54 0.15 -0.46 -0.03 113.70 118.79 3jyh s SER 60 Ca 0.01 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.51 3jyh s SER 60 Cb -0.08 -0.66 0.65 0.00 -1.71 0.00 0.00 66.02 64.22 3jyh s SER 60 CO 0.00 -0.18 1.54 -0.90 1.20 0.00 0.00 173.24 174.90 3jyh n ASP 61 N 5.03 4.29 -0.26 5.45 5.68 -1.26 -1.72 116.55 133.76 3jyh n ASP 61 Ca -0.10 -2.38 0.07 0.00 -0.50 0.00 0.00 54.79 51.88 3jyh n ASP 61 Cb 0.49 -0.54 0.21 0.00 -1.14 0.00 0.00 41.12 40.14 3jyh n ASP 61 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3jyh h ARG 62 N 3.69 0.31 -0.41 0.11 2.43 -1.89 -1.51 114.38 117.11 3jyh h ARG 62 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jyh h ARG 62 Cb 1.31 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3jyh h ARG 62 CO 0.20 0.20 0.00 1.19 -1.51 0.00 0.00 179.97 180.06 3jyh n PHE 63 N -5.12 0.52 -2.89 2.20 3.72 -1.26 -4.99 117.46 109.64 3jyh n PHE 63 Ca 0.16 -0.26 -0.41 0.00 -0.05 0.00 0.00 57.45 56.88 3jyh n PHE 63 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.99 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 -1.48 3.40 -0.64 1.38 -0.00 -0.57 -3.24 118.94 117.80 3jyh s TRP 64 Ca 0.40 1.24 -0.25 0.00 -0.00 0.00 0.00 56.10 57.48 3jyh s TRP 64 Cb 0.23 -3.02 0.04 0.00 -0.00 0.00 0.00 33.47 30.72 3jyh s TRP 64 CO 0.32 -0.26 1.10 0.08 -0.00 0.00 0.00 176.95 178.19 3jyh s VAL 65 N 2.24 4.10 -0.41 5.86 1.01 -0.79 -4.91 120.40 127.50 3jyh s VAL 65 Ca 0.38 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.66 3jyh s VAL 65 Cb -0.16 -4.72 0.01 0.00 0.00 0.00 0.00 36.38 31.50 3jyh s VAL 65 CO 0.12 -1.46 0.76 0.54 0.00 0.00 0.00 175.10 175.06 3jyh n ARG 66 N 8.29 0.01 0.00 2.72 1.74 -1.26 -1.64 116.66 126.51 3jyh n ARG 66 Ca 0.02 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3jyh n ARG 66 Cb 0.48 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3jyh n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyh n GLY 67 N -1.23 0.96 0.02 -0.13 0.00 -1.26 -4.88 105.19 98.67 3jyh n GLY 67 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.36 -0.90 -4.26 1.61 0.28 -0.65 -5.00 120.64 111.36 3jyh n GLU 68 Ca 0.00 -0.54 -0.35 0.00 -0.16 0.00 0.00 57.16 56.11 3jyh n GLU 68 Cb 0.01 -1.01 -0.09 0.00 1.43 0.00 0.00 31.44 31.78 3jyh n GLU 68 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3jyh s GLY 69 N -0.04 1.89 1.12 -1.84 0.00 -0.74 -4.98 107.32 102.73 3jyh s GLY 69 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 43.78 3jyh s GLY 69 CO 0.00 -0.42 1.11 2.56 0.00 0.00 0.00 173.10 176.35 3jyh s PRO 70 N -0.64 -0.58 -0.27 2.90 0.04 -1.26 -4.68 135.00 130.51 3jyh s PRO 70 Ca 0.11 0.15 -0.07 0.00 0.04 0.00 0.00 61.00 61.23 3jyh s PRO 70 Cb -0.12 -1.65 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3jyh s PRO 70 CO 0.02 -3.33 0.07 0.42 0.04 0.00 0.00 177.00 174.23 3jyh s ILE 71 N -3.00 4.09 -0.41 0.56 1.01 0.83 -1.57 121.20 122.71 3jyh s ILE 71 Ca 0.69 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.70 3jyh s ILE 71 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.34 3jyh s ILE 71 CO 0.57 0.21 0.51 -0.36 0.00 0.00 0.00 174.94 175.87 3jyh s PHE 72 N 1.55 3.14 -0.26 3.97 0.40 0.34 -0.40 117.98 126.71 3jyh s PHE 72 Ca 0.05 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 3jyh s PHE 72 Cb -0.16 -3.02 0.05 0.00 0.51 0.00 0.00 43.02 40.40 3jyh s PHE 72 CO 0.03 -0.70 -0.09 0.12 0.70 0.00 0.00 175.22 175.28 3jyh s PHE 73 N 2.39 3.24 -0.22 0.36 5.36 0.05 -1.04 117.98 128.11 3jyh s PHE 73 Ca 0.17 -2.18 -0.26 0.00 -0.96 0.00 0.00 56.93 53.69 3jyh s PHE 73 Cb -0.16 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3jyh s PHE 73 CO 0.15 -0.86 0.89 -0.47 -1.46 0.00 0.00 175.22 173.48 3jyh s TYR 74 N 1.15 3.34 -0.85 10.12 5.04 0.56 -0.70 117.35 136.00 3jyh s TYR 74 Ca -0.07 1.26 -0.22 0.00 -2.44 0.00 0.00 57.07 55.60 3jyh s TYR 74 Cb -0.20 -3.11 0.08 0.00 0.35 0.00 0.00 41.96 39.08 3jyh s TYR 74 CO -0.05 -0.39 1.19 0.95 -1.34 0.00 0.00 175.55 175.91 3jyh s THR 75 N 2.81 4.26 0.29 4.34 -4.23 -0.49 -1.57 115.64 121.04 3jyh s THR 75 Ca 0.38 -0.74 -0.29 0.00 -1.18 0.00 0.00 61.69 59.86 3jyh s THR 75 Cb -0.15 -4.85 -0.13 0.00 1.34 0.00 0.00 72.50 68.71 3jyh s THR 75 CO 0.08 -1.66 1.31 0.61 -0.54 0.00 0.00 174.62 174.42 3jyh n GLY 76 N 5.80 0.59 0.00 3.99 0.00 -0.07 -4.57 105.19 110.93 3jyh n GLY 76 Ca 0.16 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 1.42 0.00 -2.50 1.61 6.94 -1.26 -3.77 115.26 117.70 3jyh n ASN 77 Ca 0.08 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.40 3jyh n ASN 77 Cb 0.34 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 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 2.64 -2.49 -3.83 0.00 -1.26 -4.35 120.64 111.34 3jyh n GLU 78 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 57.16 55.25 3jyh n GLU 78 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 31.44 29.23 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 1.93 0.61 3.71 -1.84 0.00 -1.26 -4.86 105.19 103.48 3jyh n GLY 79 Ca 0.51 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3jyh n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyh s ASP 80 N -1.91 6.41 0.48 1.61 -1.08 -1.26 -4.44 116.67 116.48 3jyh s ASP 80 Ca 0.09 2.80 0.18 0.00 -0.52 0.00 0.00 52.55 55.11 3jyh s ASP 80 Cb -0.00 -2.58 1.19 0.00 -1.46 0.00 0.00 42.92 40.07 3jyh s ASP 80 CO 0.00 -0.98 2.00 1.62 0.52 0.00 0.00 175.17 178.33 3jyh h VAL 81 N 4.26 0.84 -0.19 1.11 3.04 -1.92 -1.18 116.25 122.21 3jyh h VAL 81 Ca -0.44 -0.07 -0.03 0.00 -1.01 0.00 0.00 66.70 65.14 3jyh h VAL 81 Cb 1.21 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.08 3jyh h VAL 81 CO 0.95 0.04 -0.03 -0.50 -1.01 0.00 0.00 177.57 177.02 3jyh h TRP 82 N 0.21 0.29 -0.87 3.17 4.06 -1.97 -1.64 115.95 119.20 3jyh h TRP 82 Ca 0.24 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.20 3jyh h TRP 82 Cb 0.68 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.70 3jyh h TRP 82 CO -0.00 0.33 0.57 0.00 -3.56 0.00 0.00 178.44 175.78 3jyh h ALA 83 N 1.69 1.12 -0.13 1.49 0.00 -1.59 0.52 119.26 122.37 3jyh h ALA 83 Ca 0.06 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3jyh h ALA 83 Cb 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3jyh h ALA 83 CO 0.01 0.45 -0.39 0.74 0.00 0.00 0.00 179.25 180.07 3jyh h PHE 84 N 1.13 0.64 -0.88 0.00 0.04 -1.47 -2.32 116.94 114.07 3jyh h PHE 84 Ca 0.33 -0.25 0.10 0.00 2.80 0.00 0.00 57.97 60.95 3jyh h PHE 84 Cb -0.06 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 37.90 3jyh h PHE 84 CO -0.02 1.00 0.52 0.00 -0.60 0.00 0.00 178.31 179.21 3jyh h ALA 85 N 0.52 1.28 0.00 2.45 0.00 -1.22 -1.07 119.26 121.23 3jyh h ALA 85 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jyh h ALA 85 Cb 1.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3jyh h ALA 85 CO 0.08 0.14 -0.00 -0.91 0.00 0.00 0.00 179.25 178.56 3jyh h ASN 86 N 0.85 0.00 -0.00 0.00 2.35 -0.83 -3.33 115.58 114.62 3jyh h ASN 86 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 3jyh h ASN 86 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 3jyh h ASN 86 CO -0.26 0.00 -0.06 0.59 -1.65 0.00 0.00 177.43 176.06 3jyh n ASN 87 N -3.10 1.08 -2.50 5.81 3.02 -0.88 -4.67 115.26 114.02 3jyh n ASN 87 Ca 0.02 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.24 3jyh n ASN 87 Cb 0.42 0.28 0.01 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.10 5.34 0.33 6.41 7.64 -0.43 -3.82 113.62 128.99 3jyh n SER 88 Ca 0.02 -3.75 0.22 0.00 1.01 0.00 0.00 58.87 56.38 3jyh n SER 88 Cb 0.11 -0.57 1.17 0.00 -1.01 0.00 0.00 64.21 63.91 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 2.59 1.02 -0.14 -0.43 0.00 -1.70 -2.50 119.26 118.09 3jyh h ALA 89 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 3jyh h ALA 89 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3jyh h ALA 89 CO 0.97 -0.02 -0.18 0.35 0.00 0.00 0.00 179.25 180.37 3jyh h PHE 90 N 0.00 0.25 -0.72 0.00 3.57 -0.99 -1.75 116.94 117.31 3jyh h PHE 90 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3jyh h PHE 90 Cb 0.04 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 3jyh h PHE 90 CO 0.00 0.41 0.47 0.28 -2.23 0.00 0.00 178.31 177.25 3jyh h VAL 91 N 0.22 1.19 -0.39 1.41 2.07 -1.61 0.12 116.25 119.25 3jyh h VAL 91 Ca 0.04 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 3jyh h VAL 91 Cb 0.46 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3jyh h VAL 91 CO 0.03 0.18 -0.37 0.00 0.02 0.00 0.00 177.57 177.43 3jyh h ALA 92 N 1.26 0.59 -0.74 1.67 0.00 -1.63 0.44 119.26 120.85 3jyh h ALA 92 Ca 0.26 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3jyh h ALA 92 Cb -0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3jyh h ALA 92 CO -0.06 0.68 0.41 0.93 0.00 0.00 0.00 179.25 181.21 3jyh h GLU 93 N 0.76 1.04 -0.32 0.00 5.08 -1.11 -0.89 114.58 119.14 3jyh h GLU 93 Ca 0.06 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3jyh h GLU 93 Cb 0.97 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3jyh h GLU 93 CO 0.09 0.77 -0.35 1.25 -1.00 0.00 0.00 179.01 179.78 3jyh h LEU 94 N 1.03 0.74 -0.50 1.33 5.85 -0.65 -2.69 115.31 120.42 3jyh h LEU 94 Ca 0.26 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3jyh h LEU 94 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3jyh h LEU 94 CO -0.04 1.02 0.32 0.00 -0.34 0.00 0.00 178.44 179.39 3jyh h ALA 95 N 1.02 0.63 -0.57 1.25 0.00 -0.55 -0.86 119.26 120.19 3jyh h ALA 95 Ca 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3jyh h ALA 95 Cb 0.87 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3jyh h ALA 95 CO 0.08 0.04 0.31 0.00 0.00 0.00 0.00 179.25 179.68 3jyh h ALA 96 N 1.20 0.74 -0.26 0.00 0.00 -1.15 0.15 119.26 119.93 3jyh h ALA 96 Ca 0.19 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3jyh h ALA 96 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3jyh h ALA 96 CO -0.06 -0.01 -0.10 1.49 0.00 0.00 0.00 179.25 180.56 3jyh h GLU 97 N 0.60 0.43 -0.02 0.00 4.81 -1.12 -3.30 114.58 115.98 3jyh h GLU 97 Ca 0.25 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3jyh h GLU 97 Cb 0.12 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3jyh h GLU 97 CO -0.15 0.54 -0.05 0.54 -0.73 0.00 0.00 179.01 179.17 3jyh n ARG 98 N -4.23 1.34 -3.07 1.92 5.12 -0.36 -4.98 116.66 112.40 3jyh n ARG 98 Ca 0.00 -1.38 -0.14 0.00 -1.93 0.00 0.00 57.85 54.40 3jyh n ARG 98 Cb 0.29 -1.31 0.04 0.00 -1.16 0.00 0.00 32.46 30.33 3jyh n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jyh n GLY 99 N 0.95 0.04 3.87 -0.13 0.00 0.38 -4.54 105.19 105.76 3jyh n GLY 99 Ca 0.09 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.14 3.76 0.25 4.61 0.00 -0.35 -1.88 121.76 125.01 3jyh s ALA 100 Ca 0.32 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 3jyh s ALA 100 Cb -0.14 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.67 3jyh s ALA 100 CO 0.39 0.58 1.10 -1.17 0.00 0.00 0.00 175.76 176.66 3jyh s LEU 101 N -1.73 4.54 -0.23 0.00 2.96 -0.61 -3.53 118.68 120.07 3jyh s LEU 101 Ca 0.30 2.22 -0.05 0.00 -0.22 0.00 0.00 54.13 56.38 3jyh s LEU 101 Cb -0.14 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.91 3jyh s LEU 101 CO 0.16 -0.16 0.01 -0.76 -1.32 0.00 0.00 176.35 174.28 3jyh s LEU 102 N -1.14 3.16 -0.12 -0.68 1.43 -0.70 -0.51 118.68 120.13 3jyh s LEU 102 Ca 0.46 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3jyh s LEU 102 Cb -0.31 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3jyh s LEU 102 CO 0.39 -0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 176.18 3jyh s VAL 103 N 1.48 1.12 -0.32 -1.59 1.01 -0.21 -1.36 120.40 120.53 3jyh s VAL 103 Ca 0.06 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 3jyh s VAL 103 Cb -0.15 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.14 3jyh s VAL 103 CO 0.00 0.38 0.12 -0.36 0.00 0.00 0.00 175.10 175.25 3jyh s PHE 104 N 1.64 3.19 -0.16 5.22 0.08 0.08 -0.32 117.98 127.70 3jyh s PHE 104 Ca 0.04 -0.99 -0.08 0.00 0.12 0.00 0.00 56.93 56.02 3jyh s PHE 104 Cb -0.13 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3jyh s PHE 104 CO -0.08 -0.60 0.12 0.00 -0.10 0.00 0.00 175.22 174.56 3jyh s ALA 105 N 1.51 3.72 0.25 5.36 0.00 -0.61 -0.29 121.76 131.70 3jyh s ALA 105 Ca 0.02 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 3jyh s ALA 105 Cb -0.18 -2.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.80 3jyh s ALA 105 CO 0.04 0.35 0.86 -2.00 0.00 0.00 0.00 175.76 175.01 3jyh s GLU 106 N -0.21 4.57 0.21 0.00 2.12 -0.55 -0.90 118.70 123.95 3jyh s GLU 106 Ca 0.10 1.23 -0.30 0.00 0.36 0.00 0.00 54.97 56.37 3jyh s GLU 106 Cb -0.12 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.18 3jyh s GLU 106 CO 0.01 0.42 1.13 -1.58 -0.54 0.00 0.00 175.26 174.69 3jyh s HIS 107 N -1.41 3.54 0.39 5.30 5.65 -1.25 -4.77 115.29 122.75 3jyh s HIS 107 Ca 0.44 1.58 -0.26 0.00 0.25 0.00 0.00 55.06 57.07 3jyh s HIS 107 Cb -0.21 -3.32 -0.11 0.00 -1.18 0.00 0.00 32.58 27.76 3jyh s HIS 107 CO 0.25 -0.76 1.19 2.89 -0.65 0.00 0.00 174.74 177.67 3jyh n ARG 108 N 2.04 1.79 -0.80 2.88 1.85 -1.26 -2.18 116.66 120.98 3jyh n ARG 108 Ca 0.02 0.64 0.00 0.00 -1.00 0.00 0.00 57.85 57.51 3jyh n ARG 108 Cb 0.45 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 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 -0.11 0.00 -4.30 2.89 4.01 0.19 -5.01 117.16 114.83 3jyh n TYR 109 Ca 0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.51 3jyh n TYR 109 Cb 0.38 -0.21 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -3.45 2.80 0.00 -0.72 2.02 -0.93 -4.77 117.35 112.30 3jyh s TYR 110 Ca 0.00 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3jyh s TYR 110 Cb 0.00 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 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 0.93 3.66 1.15 0.71 0.00 -1.26 -1.42 105.19 108.95 3jyh n GLY 111 Ca -0.14 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 11.64 2.77 -3.22 1.61 5.02 -1.26 -4.79 118.16 129.93 3jyh n LYS 112 Ca 0.00 -2.49 -0.40 0.00 -2.02 0.00 0.00 58.31 53.40 3jyh n LYS 112 Cb 0.00 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 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 1.32 5.55 -4.16 4.39 7.64 -0.51 -4.69 113.62 123.15 3jyh n SER 113 Ca 0.21 -3.30 -0.35 0.00 1.01 0.00 0.00 58.87 56.44 3jyh n SER 113 Cb 0.57 -1.17 -0.14 0.00 -1.01 0.00 0.00 64.21 62.45 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 -2.25 3.86 0.45 -3.43 1.43 -1.26 0.52 118.68 118.00 3jyh s LEU 114 Ca 0.32 -1.28 0.15 0.00 -1.03 0.00 0.00 54.13 52.28 3jyh s LEU 114 Cb 0.02 -1.70 1.07 0.00 0.03 0.00 0.00 46.19 45.61 3jyh s LEU 114 CO 0.02 -0.25 2.00 -0.65 0.23 0.00 0.00 176.35 177.69 3jyh h PRO 115 N 7.98 0.34 0.00 1.29 0.11 -1.94 -2.82 132.00 136.96 3jyh h PRO 115 Ca -0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 3jyh h PRO 115 Cb 1.06 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3jyh h PRO 115 CO 0.53 0.23 -0.46 1.19 -0.21 0.00 0.00 178.00 179.27 3jyh n PHE 116 N -4.47 0.00 -4.71 0.65 3.72 -1.26 -4.87 117.46 106.52 3jyh n PHE 116 Ca 0.08 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.10 3jyh n PHE 116 Cb 0.35 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.08 0.88 0.29 1.37 0.00 -1.07 -3.41 105.19 102.18 3jyh n GLY 117 Ca 0.18 -0.72 0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.71 1.45 0.00 4.61 0.00 -1.99 -1.81 119.26 120.81 3jyh h ALA 118 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 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 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3jyh n GLN 119 N -3.76 0.20 -0.31 0.00 10.64 -1.22 -4.15 117.38 118.78 3jyh n GLN 119 Ca -0.03 0.20 0.15 0.00 -1.83 0.00 0.00 57.00 55.49 3jyh n GLN 119 Cb 0.11 -1.75 0.31 0.00 -0.86 0.00 0.00 30.24 28.05 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 -0.07 -0.45 2.61 0.02 -1.43 -0.20 113.55 114.02 3jyh h SER 120 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3jyh h SER 120 Cb 0.65 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.50 3jyh h SER 120 CO 0.00 -0.22 0.00 0.35 -1.14 0.00 0.00 176.83 175.82 3jyh n THR 121 N -5.28 1.19 -3.82 -2.27 -2.24 -1.26 -3.75 114.28 96.85 3jyh n THR 121 Ca 0.23 -0.78 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 3jyh n THR 121 Cb 0.74 0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.71 3.52 0.08 -0.78 -1.52 -0.09 -4.74 119.66 114.42 3jyh s GLN 122 Ca 0.35 -0.27 -0.37 0.00 -1.95 0.00 0.00 55.36 53.12 3jyh s GLN 122 Cb 0.22 -2.98 -0.18 0.00 -0.22 0.00 0.00 33.01 29.85 3jyh s GLN 122 CO 0.17 0.57 1.16 -2.13 -0.25 0.00 0.00 175.29 174.82 3jyh n ARG 123 N 0.36 0.69 -0.11 2.91 0.63 -1.26 -1.84 116.66 118.04 3jyh n ARG 123 Ca -0.05 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3jyh n ARG 123 Cb 0.52 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.65 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 2.04 0.58 0.00 5.14 0.00 -1.26 -4.90 105.19 106.79 3jyh n GLY 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 1.42 1.61 8.25 -0.77 -4.83 115.22 118.90 3jyh n HIS 125 Ca 0.00 -0.14 0.14 0.00 -0.26 0.00 0.00 57.72 57.46 3jyh n HIS 125 Cb 0.00 -0.01 0.46 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.14 0.00 0.29 1.59 -2.24 -1.25 -4.52 114.28 108.02 3jyh n THR 126 Ca 0.00 -0.28 0.17 0.00 -2.27 0.00 0.00 64.05 61.67 3jyh n THR 126 Cb 0.24 0.63 0.83 0.00 -2.10 0.00 0.00 70.33 69.93 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 2.60 0.00 -0.30 -0.78 4.11 -1.91 -0.22 114.58 118.09 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 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 3jyh h GLU 127 CO 0.00 0.06 0.00 1.28 0.07 0.00 0.00 179.01 180.42 3jyh n LEU 128 N -3.31 2.17 -4.37 3.06 4.77 -1.26 -4.78 117.00 113.28 3jyh n LEU 128 Ca -0.01 -0.98 -0.45 0.00 -0.03 0.00 0.00 56.01 54.54 3jyh n LEU 128 Cb 0.23 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3jyh n LEU 128 CO 0.27 0.49 0.51 -0.22 -1.33 0.00 0.00 177.39 177.11 3jyh s LEU 129 N -1.35 5.76 0.09 2.23 2.96 -0.09 -4.81 118.68 123.47 3jyh s LEU 129 Ca 0.32 -1.94 -0.04 0.00 -0.22 0.00 0.00 54.13 52.25 3jyh s LEU 129 Cb 0.17 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3jyh s LEU 129 CO 0.25 -0.94 0.08 0.42 -1.32 0.00 0.00 176.35 174.84 3jyh s THR 130 N 1.91 0.16 0.23 3.68 -4.23 -1.26 -4.85 115.64 111.27 3jyh s THR 130 Ca 0.17 -1.62 -0.07 0.00 -1.18 0.00 0.00 61.69 58.99 3jyh s THR 130 Cb -0.17 -1.62 0.19 0.00 1.34 0.00 0.00 72.50 72.24 3jyh s THR 130 CO -0.01 -0.71 1.86 0.58 -0.54 0.00 0.00 174.62 175.79 3jyh h VAL 131 N 2.91 1.09 -0.54 2.29 2.07 -1.99 -1.76 116.25 120.32 3jyh h VAL 131 Ca -0.34 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3jyh h VAL 131 Cb 1.18 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3jyh h VAL 131 CO 0.60 0.18 0.20 -0.33 0.02 0.00 0.00 177.57 178.23 3jyh h GLU 132 N 0.98 0.83 -0.37 1.57 3.07 -1.98 -0.48 114.58 118.20 3jyh h GLU 132 Ca 0.33 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 3jyh h GLU 132 Cb 0.06 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3jyh h GLU 132 CO -0.13 0.74 0.14 1.96 -1.40 0.00 0.00 179.01 180.32 3jyh h GLN 133 N 0.74 0.55 -0.72 2.33 1.08 -1.84 -1.66 115.11 115.59 3jyh h GLN 133 Ca 0.18 -0.10 0.05 0.00 -1.45 0.00 0.00 58.65 57.32 3jyh h GLN 133 Cb 0.23 -0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 3jyh h GLN 133 CO -0.01 0.54 0.44 0.00 -0.95 0.00 0.00 178.83 178.84 3jyh h ALA 134 N 0.99 0.97 -0.65 3.87 0.00 -1.13 -1.13 119.26 122.18 3jyh h ALA 134 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3jyh h ALA 134 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3jyh h ALA 134 CO -0.01 0.18 0.07 -0.07 0.00 0.00 0.00 179.25 179.42 3jyh h LEU 135 N 0.83 1.05 -0.98 0.00 3.38 -1.00 -2.09 115.31 116.50 3jyh h LEU 135 Ca 0.31 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3jyh h LEU 135 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3jyh h LEU 135 CO -0.14 1.06 -0.50 0.00 0.09 0.00 0.00 178.44 178.95 3jyh h ALA 136 N 1.05 1.15 0.07 1.53 0.00 -1.07 -0.60 119.26 121.38 3jyh h ALA 136 Ca 0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3jyh h ALA 136 Cb 0.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jyh h ALA 136 CO 0.02 0.63 -0.05 -0.44 0.00 0.00 0.00 179.25 179.41 3jyh h ASP 137 N 0.02 -0.12 -0.66 0.00 3.32 -0.84 -1.85 116.42 116.29 3jyh h ASP 137 Ca -0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3jyh h ASP 137 Cb 0.89 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 3jyh h ASP 137 CO 0.07 -0.08 0.34 -0.26 -1.72 0.00 0.00 179.24 177.59 3jyh h PHE 138 N -0.12 0.92 0.10 4.55 0.04 -1.00 -0.32 116.94 121.12 3jyh h PHE 138 Ca -0.00 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.76 3jyh h PHE 138 Cb 0.10 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 3jyh h PHE 138 CO -0.09 0.67 -0.24 0.00 -0.60 0.00 0.00 178.31 178.05 3jyh h ALA 139 N 1.16 -0.39 -0.50 2.45 0.00 -1.04 -0.46 119.26 120.48 3jyh h ALA 139 Ca 0.23 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3jyh h ALA 139 Cb 0.07 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3jyh h ALA 139 CO -0.03 -0.77 0.08 0.93 0.00 0.00 0.00 179.25 179.46 3jyh h GLU 140 N -0.43 0.78 -0.47 0.00 5.08 -1.19 -1.78 114.58 116.57 3jyh h GLU 140 Ca 0.03 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 3jyh h GLU 140 Cb 0.46 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3jyh h GLU 140 CO -0.15 0.73 0.08 1.25 -1.00 0.00 0.00 179.01 179.93 3jyh h LEU 141 N 0.74 0.74 -0.98 1.33 5.85 -0.94 -1.84 115.31 120.22 3jyh h LEU 141 Ca 0.16 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3jyh h LEU 141 Cb 0.34 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3jyh h LEU 141 CO 0.01 0.81 0.62 -0.07 -0.34 0.00 0.00 178.44 179.47 3jyh h LEU 142 N 0.65 1.15 -0.23 2.25 3.38 -0.82 0.34 115.31 122.04 3jyh h LEU 142 Ca 0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jyh h LEU 142 Cb 0.38 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3jyh h LEU 142 CO 0.01 0.86 0.09 0.03 0.09 0.00 0.00 178.44 179.51 3jyh h ARG 143 N 1.34 0.35 -0.81 1.13 3.08 -1.22 -2.00 114.38 116.25 3jyh h ARG 143 Ca 0.36 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3jyh h ARG 143 Cb -0.11 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3jyh h ARG 143 CO -0.07 0.41 0.45 0.00 -1.07 0.00 0.00 179.97 179.69 3jyh h ALA 144 N 0.93 1.04 -0.09 0.04 0.00 -1.09 -1.71 119.26 118.38 3jyh h ALA 144 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jyh h ALA 144 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3jyh h ALA 144 CO -0.01 0.54 0.05 -0.07 0.00 0.00 0.00 179.25 179.76 3jyh h LEU 145 N 1.13 0.11 -0.70 0.00 3.38 -0.87 0.28 115.31 118.64 3jyh h LEU 145 Ca 0.29 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3jyh h LEU 145 Cb 0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3jyh h LEU 145 CO -0.05 0.18 0.45 0.03 0.09 0.00 0.00 178.44 179.15 3jyh h ARG 146 N 0.04 0.87 0.42 1.13 3.08 -1.14 0.17 114.38 118.94 3jyh h ARG 146 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3jyh h ARG 146 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3jyh h ARG 146 CO -0.00 0.58 -0.20 0.00 -1.07 0.00 0.00 179.97 179.27 3jyh h ARG 147 N 0.90 -0.54 0.00 0.04 3.08 -1.21 0.28 114.38 116.93 3jyh h ARG 147 Ca 0.27 0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.21 3jyh h ARG 147 Cb -0.05 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3jyh h ARG 147 CO -0.08 -0.28 -0.68 -0.44 -1.07 0.00 0.00 179.97 177.42 3jyh h ASP 148 N -0.72 0.00 0.05 7.04 5.19 -0.19 -2.76 116.42 125.02 3jyh h ASP 148 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3jyh h ASP 148 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3jyh h ASP 148 CO 0.09 0.68 -0.07 0.18 -3.12 0.00 0.00 179.24 177.00 3jyh n LEU 149 N -3.69 1.43 -3.19 1.55 4.77 0.58 -4.97 117.00 113.47 3jyh n LEU 149 Ca -0.01 -0.46 -0.12 0.00 -0.03 0.00 0.00 56.01 55.40 3jyh n LEU 149 Cb 0.68 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.79 3jyh n LEU 149 CO 0.43 0.24 0.09 0.61 -1.33 0.00 0.00 177.39 177.43 3jyh n GLY 150 N 1.23 -1.16 2.69 -0.72 0.00 -1.04 -4.97 105.19 101.22 3jyh n GLY 150 Ca 0.17 0.55 -0.07 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.93 2.44 0.21 4.61 0.00 0.96 -4.96 120.51 120.85 3jyh n ALA 151 Ca -0.06 -2.19 0.18 0.00 0.00 0.00 0.00 53.44 51.37 3jyh n ALA 151 Cb 0.60 -0.95 0.84 0.00 0.00 0.00 0.00 19.45 19.94 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 2.39 0.00 -0.24 0.00 7.50 -1.89 -2.21 115.11 120.67 3jyh h GLN 152 Ca -0.21 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.94 3jyh h GLN 152 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.78 3jyh h GLN 152 CO 0.19 0.00 0.00 -0.40 -1.50 0.00 0.00 178.83 177.12 3jyh n ASP 153 N -3.66 2.70 -4.66 1.46 5.68 -1.26 -4.98 116.55 111.82 3jyh n ASP 153 Ca 0.02 -1.80 -0.42 0.00 -0.50 0.00 0.00 54.79 52.08 3jyh n ASP 153 Cb 0.35 -0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 3jyh n ASP 153 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jyh s ALA 154 N -1.08 3.63 0.67 2.12 0.00 -0.83 -4.94 121.76 121.32 3jyh s ALA 154 Ca 0.23 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 3jyh s ALA 154 Cb 0.14 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3jyh s ALA 154 CO 0.19 -1.25 1.20 -2.14 0.00 0.00 0.00 175.76 173.75 3jyh s PRO 155 N 3.62 2.56 -0.02 0.00 0.02 -1.26 -4.67 135.00 135.25 3jyh s PRO 155 Ca 0.66 1.74 0.06 0.00 0.02 0.00 0.00 61.00 63.48 3jyh s PRO 155 Cb -0.29 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.33 3jyh s PRO 155 CO 0.24 -1.51 -0.20 0.00 -0.33 0.00 0.00 177.00 175.20 3jyh s ALA 156 N -1.87 1.64 -0.11 -1.55 0.00 -1.26 -0.12 121.76 118.48 3jyh s ALA 156 Ca 0.75 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.90 3jyh s ALA 156 Cb -0.29 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.41 3jyh s ALA 156 CO 0.40 0.39 -0.23 0.42 0.00 0.00 0.00 175.76 176.74 3jyh s ILE 157 N -0.41 2.03 0.11 0.00 -1.09 0.46 0.64 121.20 122.94 3jyh s ILE 157 Ca 0.06 -0.99 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 3jyh s ILE 157 Cb -0.08 -1.77 -0.07 0.00 -1.58 0.00 0.00 42.46 38.96 3jyh s ILE 157 CO -0.00 0.55 0.65 0.00 -1.23 0.00 0.00 174.94 174.91 3jyh s ALA 158 N 0.50 3.54 0.02 9.38 0.00 -0.33 -0.77 121.76 134.10 3jyh s ALA 158 Ca -0.15 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.03 3jyh s ALA 158 Cb -0.17 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 3jyh s ALA 158 CO 0.05 0.36 -0.17 -0.06 0.00 0.00 0.00 175.76 175.94 3jyh s PHE 159 N -1.11 1.46 -0.17 0.00 0.08 0.12 -0.70 117.98 117.66 3jyh s PHE 159 Ca 0.32 -0.33 -0.31 0.00 0.12 0.00 0.00 56.93 56.73 3jyh s PHE 159 Cb -0.21 -0.89 0.14 0.00 -0.57 0.00 0.00 43.02 41.49 3jyh s PHE 159 CO 0.22 0.03 1.09 0.20 -0.10 0.00 0.00 175.22 176.66 3jyh s GLY 160 N -0.89 -0.23 0.06 4.36 0.00 -0.93 -1.39 107.32 108.30 3jyh s GLY 160 Ca 0.05 1.97 0.07 0.00 0.00 0.00 0.00 44.72 46.81 3jyh s GLY 160 CO 0.01 0.86 -0.14 -0.32 0.00 0.00 0.00 173.10 173.51 3jyh s GLY 161 N -1.47 1.67 0.00 0.20 0.00 -1.26 -0.83 107.32 105.63 3jyh s GLY 161 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.55 3jyh s GLY 161 CO -0.03 -1.12 0.00 -1.26 0.00 0.00 0.00 173.10 170.69 3jyh n SER 162 N 1.24 0.00 -0.13 1.64 2.88 -0.23 -0.61 113.62 118.41 3jyh n SER 162 Ca -0.15 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.60 3jyh n SER 162 Cb 0.52 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.62 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 0.19 -0.41 0.66 3.20 -1.91 -0.64 116.97 118.06 3jyh h TYR 163 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3jyh h TYR 163 Cb 0.00 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3jyh h TYR 163 CO 0.00 0.06 0.19 0.78 -1.64 0.00 0.00 178.16 177.55 3jyh h GLY 164 N 0.15 0.61 1.73 1.82 0.00 -1.10 -1.67 103.07 104.61 3jyh h GLY 164 Ca 0.36 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.26 3jyh h GLY 164 CO -0.06 0.26 -0.69 -1.33 0.00 0.00 0.00 176.54 174.72 3jyh h GLY 165 N 0.69 0.29 0.99 4.60 0.00 -0.93 -0.98 103.07 107.73 3jyh h GLY 165 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3jyh h GLY 165 CO -0.02 0.36 0.27 -0.33 0.00 0.00 0.00 176.54 176.82 3jyh h MET 166 N 0.18 0.58 -0.72 4.80 2.07 -1.04 -1.80 114.93 119.01 3jyh h MET 166 Ca -0.02 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 3jyh h MET 166 Cb 1.24 -0.13 -0.03 0.00 -1.87 0.00 0.00 31.60 30.81 3jyh h MET 166 CO 0.11 0.41 0.42 -0.07 1.07 0.00 0.00 176.91 178.86 3jyh h LEU 167 N 0.58 0.87 0.33 1.22 3.38 -1.18 -0.04 115.31 120.48 3jyh h LEU 167 Ca 0.16 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3jyh h LEU 167 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3jyh h LEU 167 CO -0.03 0.69 -0.16 0.28 0.09 0.00 0.00 178.44 179.30 3jyh h SER 168 N 0.98 -0.38 -0.58 -0.43 0.02 -1.07 0.11 113.55 112.20 3jyh h SER 168 Ca 0.26 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.32 3jyh h SER 168 Cb -0.02 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.54 3jyh h SER 168 CO -0.05 -0.26 0.14 0.00 -1.14 0.00 0.00 176.83 175.52 3jyh h ALA 169 N 0.21 0.70 -0.29 3.77 0.00 -1.18 -2.19 119.26 120.27 3jyh h ALA 169 Ca -0.05 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3jyh h ALA 169 Cb 0.35 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3jyh h ALA 169 CO 0.08 -0.28 -0.43 1.88 0.00 0.00 0.00 179.25 180.49 3jyh h TYR 170 N 0.28 0.90 -0.72 0.00 0.05 -0.84 -0.04 116.97 116.60 3jyh h TYR 170 Ca 0.30 -0.28 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3jyh h TYR 170 Cb 0.43 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3jyh h TYR 170 CO -0.23 1.04 0.29 1.25 -1.05 0.00 0.00 178.16 179.46 3jyh h LEU 171 N 0.60 0.99 -0.42 3.88 5.85 -0.61 0.14 115.31 125.73 3jyh h LEU 171 Ca 0.04 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3jyh h LEU 171 Cb 0.99 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3jyh h LEU 171 CO 0.09 0.89 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.91 3jyh h ARG 172 N 1.03 0.81 -0.40 1.25 9.65 -1.12 0.20 114.38 125.79 3jyh h ARG 172 Ca 0.24 -0.30 0.03 0.00 -1.10 0.00 0.00 59.98 58.84 3jyh h ARG 172 Cb 0.21 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3jyh h ARG 172 CO -0.02 0.92 0.22 0.52 2.80 0.00 0.00 179.97 184.41 3jyh h MET 173 N 0.63 0.43 0.00 0.20 2.86 -0.83 -3.00 114.93 115.22 3jyh h MET 173 Ca 0.11 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.56 3jyh h MET 173 Cb 0.61 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3jyh h MET 173 CO 0.04 0.28 -1.69 1.63 1.06 0.00 0.00 176.91 178.23 3jyh n LYS 174 N -4.90 0.64 -2.93 1.72 4.76 0.46 -4.50 118.16 113.42 3jyh n LYS 174 Ca 0.02 0.08 -0.22 0.00 -2.87 0.00 0.00 58.31 55.32 3jyh n LYS 174 Cb 0.08 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.56 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 2.33 0.87 2.13 4.01 0.70 -4.92 117.16 119.56 3jyh n TYR 175 Ca -0.12 -3.68 0.10 0.00 -0.16 0.00 0.00 57.90 54.04 3jyh n TYR 175 Cb 0.82 -0.40 0.49 0.00 -0.31 0.00 0.00 39.34 39.95 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 -0.08 0.17 0.12 -0.72 -0.04 -1.13 -1.23 135.00 132.08 3jyh n PRO 176 Ca 0.28 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 3jyh n PRO 176 Cb 0.57 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.88 3jyh n PRO 176 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3jyh h HIS 177 N 0.00 0.00 0.00 0.54 2.07 -1.91 -3.36 115.15 112.49 3jyh h HIS 177 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 3jyh h HIS 177 Cb 0.27 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.20 3jyh h HIS 177 CO 0.00 0.00 -2.00 1.28 -3.07 0.00 0.00 177.93 174.14 3jyh n LEU 178 N -2.38 0.14 -4.15 6.12 4.77 -0.37 -4.97 117.00 116.16 3jyh n LEU 178 Ca 0.05 -0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 3jyh n LEU 178 Cb 0.45 0.31 -0.15 0.00 -2.33 0.00 0.00 43.42 41.70 3jyh n LEU 178 CO 0.31 0.38 -0.49 0.68 -1.33 0.00 0.00 177.39 176.95 3jyh s VAL 179 N -2.35 1.28 -0.76 4.08 -7.23 -0.84 -4.41 120.40 110.16 3jyh s VAL 179 Ca -0.08 -0.75 0.23 0.00 -1.81 0.00 0.00 61.98 59.57 3jyh s VAL 179 Cb 0.04 -1.07 -0.09 0.00 0.56 0.00 0.00 36.38 35.82 3jyh s VAL 179 CO 0.59 0.31 1.12 0.00 -0.31 0.00 0.00 175.10 176.81 3jyh n ALA 180 N 2.55 3.59 0.00 1.32 0.00 0.21 -4.42 120.51 123.76 3jyh n ALA 180 Ca -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3jyh n ALA 180 Cb 0.54 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 1.42 -0.18 3.10 0.00 0.00 -1.24 -4.84 105.19 103.46 3jyh n GLY 181 Ca 0.03 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.56 -0.36 4.61 0.00 -0.14 -1.19 121.76 122.13 3jyh s ALA 182 Ca 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 3jyh s ALA 182 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3jyh s ALA 182 CO 0.00 -0.11 0.26 -1.17 0.00 0.00 0.00 175.76 174.73 3jyh s LEU 183 N 0.22 4.65 -0.58 0.00 2.96 0.12 -0.61 118.68 125.45 3jyh s LEU 183 Ca -0.01 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 3jyh s LEU 183 Cb -0.02 -2.15 0.15 0.00 0.50 0.00 0.00 46.19 44.67 3jyh s LEU 183 CO -0.00 -0.29 0.45 0.00 -1.32 0.00 0.00 176.35 175.19 3jyh s ALA 184 N 1.72 3.57 -0.14 5.97 0.00 0.88 -2.18 121.76 131.57 3jyh s ALA 184 Ca 0.06 -2.87 -0.18 0.00 0.00 0.00 0.00 51.96 48.98 3jyh s ALA 184 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3jyh s ALA 184 CO 0.10 -2.02 0.46 0.00 0.00 0.00 0.00 175.76 174.30 3jyh s ALA 185 N 0.78 3.51 -1.43 0.00 0.00 -0.01 -2.06 121.76 122.54 3jyh s ALA 185 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3jyh s ALA 185 Cb -0.22 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3jyh s ALA 185 CO -0.03 -0.10 0.32 0.43 0.00 0.00 0.00 175.76 176.39 3jyh n SER 186 N 3.94 -0.20 -4.35 0.00 7.64 0.10 -1.07 113.62 119.69 3jyh n SER 186 Ca -0.07 -1.08 -0.44 0.00 1.01 0.00 0.00 58.87 58.28 3jyh n SER 186 Cb 0.51 -2.65 -0.07 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 -4.05 3.56 -1.49 -0.43 0.00 -1.26 -3.01 121.76 115.08 3jyh s ALA 187 Ca 0.03 -2.27 -0.08 0.00 0.00 0.00 0.00 51.96 49.63 3jyh s ALA 187 Cb -0.01 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3jyh s ALA 187 CO 0.92 -1.82 2.79 -0.35 0.00 0.00 0.00 175.76 177.29 3jyh n PRO 188 N 5.18 3.97 0.29 0.00 -0.04 -1.26 -4.47 135.00 138.67 3jyh n PRO 188 Ca -0.13 -2.60 0.13 0.00 -0.04 0.00 0.00 63.50 60.87 3jyh n PRO 188 Cb 0.42 -2.73 0.85 0.00 -0.04 0.00 0.00 33.50 32.00 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 2.84 0.64 0.01 0.52 -1.51 -1.90 -2.65 116.25 114.21 3jyh h VAL 189 Ca 0.81 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 66.28 3jyh h VAL 189 Cb 0.31 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 3jyh h VAL 189 CO 1.65 0.00 -0.00 -0.07 -1.23 0.00 0.00 177.57 177.92 3jyh h LEU 190 N 0.00 -0.01 -0.62 4.19 3.38 -1.50 -3.28 115.31 117.47 3jyh h LEU 190 Ca 0.00 -0.58 0.12 0.00 0.09 0.00 0.00 57.88 57.51 3jyh h LEU 190 Cb 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 3jyh h LEU 190 CO -0.00 0.77 0.14 0.00 0.09 0.00 0.00 178.44 179.44 3jyh h ALA 191 N -0.40 0.75 0.00 1.53 0.00 -1.09 -1.48 119.26 118.57 3jyh h ALA 191 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jyh h ALA 191 Cb 0.59 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3jyh h ALA 191 CO 0.00 -0.31 -0.01 -0.39 0.00 0.00 0.00 179.25 178.55 3jyh h VAL 192 N 0.27 0.03 -0.01 0.00 -1.51 -1.61 -1.84 116.25 111.58 3jyh h VAL 192 Ca 0.33 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 3jyh h VAL 192 Cb 0.50 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3jyh h VAL 192 CO -0.42 0.01 -0.29 0.00 -1.23 0.00 0.00 177.57 175.64 3jyh n ALA 193 N -2.10 3.15 0.00 5.19 0.00 -0.60 -2.33 120.51 123.81 3jyh n ALA 193 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3jyh n ALA 193 Cb 0.27 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.36 1.02 3.95 0.00 0.00 -0.69 -4.43 105.19 106.40 3jyh n GLY 194 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 4.14 0.00 0.99 1.43 -0.95 -4.97 118.68 119.32 3jyh s LEU 195 Ca 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3jyh s LEU 195 Cb 0.00 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.07 3jyh s LEU 195 CO 0.00 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3jyh n GLY 196 N -1.50 -1.53 3.59 -3.19 0.00 -1.26 -4.06 105.19 97.24 3jyh n GLY 196 Ca -0.06 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 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 5.37 0.00 1.61 -1.08 -1.26 -4.99 116.67 112.32 3jyh s ASP 197 Ca 0.00 0.01 0.24 0.00 -0.52 0.00 0.00 52.55 52.28 3jyh s ASP 197 Cb 0.00 -1.91 1.15 0.00 -1.46 0.00 0.00 42.92 40.70 3jyh s ASP 197 CO 0.00 0.17 1.77 -1.54 0.52 0.00 0.00 175.17 176.09 3jyh n SER 198 N 3.55 0.00 0.08 -0.34 3.41 -1.26 -2.28 113.62 116.78 3jyh n SER 198 Ca -0.17 0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 3jyh n SER 198 Cb 0.52 -0.33 0.17 0.00 -0.26 0.00 0.00 64.21 64.31 3jyh n SER 198 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3jyh h ASN 199 N 0.00 0.00 0.20 4.04 2.35 -1.92 -1.89 115.58 118.36 3jyh h ASN 199 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3jyh h ASN 199 Cb 0.26 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3jyh h ASN 199 CO 0.00 0.07 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.11 3jyh h GLN 200 N 0.00 -0.30 0.29 0.81 -0.00 -1.77 -2.23 115.11 111.91 3jyh h GLN 200 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 3jyh h GLN 200 Cb 0.80 0.07 -0.03 0.00 0.00 0.00 0.00 27.48 28.32 3jyh h GLN 200 CO 0.00 -0.20 -0.38 0.35 0.00 0.00 0.00 178.83 178.60 3jyh h PHE 201 N -0.32 -1.04 0.00 3.99 3.57 -1.82 0.25 116.94 121.57 3jyh h PHE 201 Ca -0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3jyh h PHE 201 Cb 0.27 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3jyh h PHE 201 CO -0.09 -0.51 -0.42 0.74 -2.23 0.00 0.00 178.31 175.80 3jyh h PHE 202 N -0.72 0.00 -0.78 0.41 0.04 -1.81 0.78 116.94 114.86 3jyh h PHE 202 Ca -0.01 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 3jyh h PHE 202 Cb 0.68 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.79 3jyh h PHE 202 CO -0.26 0.42 0.51 -0.09 -0.60 0.00 0.00 178.31 178.30 3jyh h ARG 203 N 0.00 1.01 0.04 1.51 2.43 -1.17 -0.86 114.38 117.33 3jyh h ARG 203 Ca -0.00 -0.06 -0.26 0.00 -0.81 0.00 0.00 59.98 58.84 3jyh h ARG 203 Cb 0.99 -0.23 0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3jyh h ARG 203 CO 0.05 0.67 -1.07 -0.44 -1.51 0.00 0.00 179.97 177.67 3jyh h ASP 204 N 1.04 0.75 -0.53 -3.80 3.32 -0.05 -1.14 116.42 116.00 3jyh h ASP 204 Ca 0.29 -0.63 0.10 0.00 0.02 0.00 0.00 57.03 56.81 3jyh h ASP 204 Cb -0.09 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.15 3jyh h ASP 204 CO -0.08 1.44 0.05 0.58 -1.72 0.00 0.00 179.24 179.51 3jyh h VAL 205 N 0.29 0.62 -0.37 -1.35 2.07 -0.85 -1.96 116.25 114.71 3jyh h VAL 205 Ca -0.13 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3jyh h VAL 205 Cb 1.72 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3jyh h VAL 205 CO 0.20 0.03 0.23 0.74 0.02 0.00 0.00 177.57 178.79 3jyh h THR 206 N 0.17 1.06 -0.59 2.57 2.02 -0.97 -2.79 112.91 114.38 3jyh h THR 206 Ca 0.27 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3jyh h THR 206 Cb 0.41 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3jyh h THR 206 CO -0.41 0.08 0.38 0.00 0.37 0.00 0.00 175.52 175.95 3jyh h ALA 207 N 1.16 1.56 -0.46 6.16 0.00 -0.90 -0.49 119.26 126.29 3jyh h ALA 207 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.06 3jyh h ALA 207 Cb -0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 3jyh h ALA 207 CO -0.06 0.40 0.18 -0.44 0.00 0.00 0.00 179.25 179.33 3jyh h ASP 208 N 0.81 0.20 0.28 0.00 3.32 -1.09 0.97 116.42 120.90 3jyh h ASP 208 Ca 0.22 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 3jyh h ASP 208 Cb -0.07 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3jyh h ASP 208 CO -0.04 0.14 -0.49 -0.26 -1.72 0.00 0.00 179.24 176.87 3jyh h PHE 209 N 0.36 0.30 -0.25 4.55 0.04 -1.26 -2.31 116.94 118.36 3jyh h PHE 209 Ca 0.22 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3jyh h PHE 209 Cb 0.21 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3jyh h PHE 209 CO -0.15 0.69 -0.05 1.49 -0.60 0.00 0.00 178.31 179.68 3jyh h GLU 210 N 0.20 0.48 -0.11 1.51 4.57 -0.62 0.15 114.58 120.76 3jyh h GLU 210 Ca 0.01 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3jyh h GLU 210 Cb 0.93 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 3jyh h GLU 210 CO 0.08 0.70 0.01 0.78 -1.18 0.00 0.00 179.01 179.39 3jyh h GLY 211 N 0.22 0.15 0.42 1.92 0.00 -0.81 -2.90 103.07 102.09 3jyh h GLY 211 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3jyh h GLY 211 CO 0.02 0.06 -0.02 0.06 0.00 0.00 0.00 176.54 176.67 3jyh h GLN 212 N 0.15 -0.06 -0.80 4.80 -0.00 -0.93 -3.47 115.11 114.81 3jyh h GLN 212 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 58.65 58.82 3jyh h GLN 212 Cb 0.09 0.01 -0.21 0.00 -0.00 0.00 0.00 27.48 27.38 3jyh h GLN 212 CO 0.00 0.48 -0.17 0.45 -0.00 0.00 0.00 178.83 179.60 3jyh s SER 213 N -5.69 -1.14 0.37 0.06 0.15 0.49 -5.03 113.70 102.91 3jyh s SER 213 Ca -0.16 0.63 0.04 0.00 0.70 0.00 0.00 55.95 57.17 3jyh s SER 213 Cb 0.01 1.92 0.72 0.00 -1.71 0.00 0.00 66.02 66.96 3jyh s SER 213 CO 0.64 -0.21 2.00 -0.65 1.20 0.00 0.00 173.24 176.22 3jyh h PRO 214 N 7.97 0.74 -0.57 5.44 0.11 -1.77 -1.61 132.00 142.31 3jyh h PRO 214 Ca -0.18 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.82 3jyh h PRO 214 Cb 1.17 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3jyh h PRO 214 CO 0.15 0.49 0.09 0.87 -0.21 0.00 0.00 178.00 179.38 3jyh h LYS 215 N 0.77 0.92 -0.45 1.05 1.57 -1.93 -2.19 116.57 116.31 3jyh h LYS 215 Ca 0.25 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3jyh h LYS 215 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3jyh h LYS 215 CO -0.06 0.86 0.25 0.00 -0.57 0.00 0.00 179.45 179.93 3jyh h THR 217 N 0.59 1.30 -0.20 0.00 1.35 -1.16 -0.98 112.91 113.80 3jyh h THR 217 Ca 0.16 -1.53 -0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3jyh h THR 217 Cb 0.04 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3jyh h THR 217 CO -0.03 0.48 0.11 1.56 -0.25 0.00 0.00 175.52 177.40 3jyh h GLN 218 N 0.43 0.28 -0.64 4.72 4.20 -1.31 -1.80 115.11 120.98 3jyh h GLN 218 Ca 0.04 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.81 3jyh h GLN 218 Cb 0.87 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 3jyh h GLN 218 CO 0.07 0.26 0.29 0.78 -0.67 0.00 0.00 178.83 179.56 3jyh h GLY 219 N 0.22 0.93 0.94 3.46 0.00 -0.78 0.01 103.07 107.85 3jyh h GLY 219 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.23 3jyh h GLY 219 CO -0.01 0.04 0.10 -2.08 0.00 0.00 0.00 176.54 174.58 3jyh h VAL 220 N 0.51 1.01 -0.63 4.60 2.07 -1.05 -1.32 116.25 121.44 3jyh h VAL 220 Ca 0.31 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.85 3jyh h VAL 220 Cb 0.33 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3jyh h VAL 220 CO -0.27 0.04 0.28 0.03 0.02 0.00 0.00 177.57 177.67 3jyh h ARG 221 N 0.21 0.48 -0.54 1.57 3.08 -0.94 -2.04 114.38 116.20 3jyh h ARG 221 Ca 0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3jyh h ARG 221 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3jyh h ARG 221 CO -0.04 0.32 0.27 0.93 -1.07 0.00 0.00 179.97 180.37 3jyh h GLU 222 N 0.50 0.77 0.15 0.04 5.08 -0.64 -1.28 114.58 119.19 3jyh h GLU 222 Ca 0.31 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3jyh h GLU 222 Cb 0.33 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3jyh h GLU 222 CO -0.27 0.63 -0.10 0.00 -1.00 0.00 0.00 179.01 178.27 3jyh h ALA 223 N 1.10 -0.23 -0.70 3.43 0.00 -1.04 0.12 119.26 121.94 3jyh h ALA 223 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3jyh h ALA 223 Cb 0.11 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3jyh h ALA 223 CO -0.02 -0.64 0.46 0.74 0.00 0.00 0.00 179.25 179.79 3jyh h PHE 224 N -0.24 0.87 -0.55 0.00 0.04 -1.30 -1.26 116.94 114.49 3jyh h PHE 224 Ca -0.01 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3jyh h PHE 224 Cb 0.21 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3jyh h PHE 224 CO -0.09 0.53 0.26 -0.09 -0.60 0.00 0.00 178.31 178.32 3jyh h ARG 225 N 0.93 0.80 -0.40 1.51 2.43 -0.91 -1.97 114.38 116.77 3jyh h ARG 225 Ca 0.26 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3jyh h ARG 225 Cb -0.07 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 3jyh h ARG 225 CO -0.07 0.66 0.15 1.96 -1.51 0.00 0.00 179.97 181.16 3jyh h GLN 226 N 0.74 0.30 -0.43 0.20 4.20 -0.35 0.55 115.11 120.32 3jyh h GLN 226 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3jyh h GLN 226 Cb 0.13 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3jyh h GLN 226 CO -0.02 0.20 0.24 0.82 -0.67 0.00 0.00 178.83 179.40 3jyh h ILE 227 N 0.31 1.16 -0.30 2.54 2.04 -1.04 0.21 117.51 122.44 3jyh h ILE 227 Ca 0.18 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3jyh h ILE 227 Cb 0.15 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3jyh h ILE 227 CO -0.18 0.17 0.17 0.50 0.00 0.00 0.00 178.15 178.81 3jyh h LYS 228 N 0.56 0.41 -0.18 2.37 3.64 -1.08 -1.41 116.57 120.88 3jyh h LYS 228 Ca 0.15 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3jyh h LYS 228 Cb 0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3jyh h LYS 228 CO -0.02 0.33 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.98 3jyh h ASP 229 N 0.38 -0.23 -0.86 4.20 3.32 -0.55 -0.61 116.42 122.06 3jyh h ASP 229 Ca 0.11 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.26 3jyh h ASP 229 Cb 0.03 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3jyh h ASP 229 CO -0.02 -0.09 0.55 -0.07 -1.72 0.00 0.00 179.24 177.89 3jyh h LEU 230 N -0.03 0.90 -0.95 1.55 3.38 -0.48 0.38 115.31 120.06 3jyh h LEU 230 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jyh h LEU 230 Cb 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3jyh h LEU 230 CO -0.21 0.60 0.52 -0.26 0.09 0.00 0.00 178.44 179.19 3jyh h PHE 231 N 1.05 1.23 -0.18 1.13 0.04 -0.91 -0.27 116.94 119.02 3jyh h PHE 231 Ca 0.36 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 3jyh h PHE 231 Cb 0.06 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.81 3jyh h PHE 231 CO -0.02 0.83 0.08 -0.07 -0.60 0.00 0.00 178.31 178.53 3jyh h LEU 232 N 1.27 0.25 0.00 1.54 3.38 0.04 -1.85 115.31 119.93 3jyh h LEU 232 Ca 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3jyh h LEU 232 Cb -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3jyh h LEU 232 CO -0.06 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3jyh n GLN 233 N -4.86 0.17 -1.11 1.13 6.02 0.01 -4.87 117.38 113.88 3jyh n GLN 233 Ca -0.04 0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 57.01 3jyh n GLN 233 Cb 0.11 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 3jyh n GLN 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jyh n GLY 234 N -0.61 0.58 2.33 1.08 0.00 -0.69 -4.93 105.19 102.94 3jyh n GLY 234 Ca 0.05 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 1.07 7.11 0.08 4.61 0.00 -0.15 -4.71 120.51 128.53 3jyh n ALA 235 Ca -0.04 -3.44 0.02 0.00 0.00 0.00 0.00 53.44 49.98 3jyh n ALA 235 Cb 0.31 -2.97 0.39 0.00 0.00 0.00 0.00 19.45 17.18 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 4.47 0.34 -0.42 0.00 0.05 -1.86 -2.95 116.97 116.60 3jyh h TYR 236 Ca 0.70 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 59.33 3jyh h TYR 236 Cb 0.48 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3jyh h TYR 236 CO 1.76 0.38 -0.24 -0.44 -1.05 0.00 0.00 178.16 178.56 3jyh h ASP 237 N 0.32 0.88 -0.88 3.88 3.32 -1.85 -2.00 116.42 120.08 3jyh h ASP 237 Ca 0.07 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3jyh h ASP 237 Cb 0.28 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3jyh h ASP 237 CO 0.01 1.08 0.58 0.74 -1.72 0.00 0.00 179.24 179.92 3jyh h THR 238 N 0.74 1.18 -0.03 0.35 2.02 -1.92 0.19 112.91 115.45 3jyh h THR 238 Ca 0.09 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3jyh h THR 238 Cb 0.78 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3jyh h THR 238 CO 0.06 0.21 -0.02 0.58 0.37 0.00 0.00 175.52 176.73 3jyh h VAL 239 N 1.15 1.34 -0.47 3.16 2.07 -1.51 0.10 116.25 122.08 3jyh h VAL 239 Ca 0.34 -1.03 0.09 0.00 0.82 0.00 0.00 66.70 66.92 3jyh h VAL 239 Cb -0.06 1.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3jyh h VAL 239 CO -0.09 0.28 0.00 -0.09 0.02 0.00 0.00 177.57 177.68 3jyh h ARG 240 N -0.35 0.11 -0.04 1.57 2.43 -1.23 0.14 114.38 117.01 3jyh h ARG 240 Ca 0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3jyh h ARG 240 Cb 0.45 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3jyh h ARG 240 CO 0.00 0.07 -0.07 2.35 -1.51 0.00 0.00 179.97 180.82 3jyh h TRP 241 N 0.11 0.15 0.02 2.20 2.91 -0.92 0.79 115.95 121.22 3jyh h TRP 241 Ca 0.24 -0.05 -0.27 0.00 1.13 0.00 0.00 58.89 59.93 3jyh h TRP 241 Cb 0.35 -0.03 0.02 0.00 -0.51 0.00 0.00 29.16 29.00 3jyh h TRP 241 CO -0.30 0.64 -1.08 0.93 -1.03 0.00 0.00 178.44 177.59 3jyh h GLU 242 N -0.38 0.68 0.00 2.65 4.39 -0.68 -3.29 114.58 117.96 3jyh h GLU 242 Ca 0.00 -0.77 -0.19 0.00 0.34 0.00 0.00 59.36 58.75 3jyh h GLU 242 Cb 0.62 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 3jyh h GLU 242 CO 0.02 1.33 -0.94 0.35 -1.16 0.00 0.00 179.01 178.61 3jyh h PHE 243 N 0.37 0.00 -0.45 4.33 3.57 -0.84 -3.39 116.94 120.53 3jyh h PHE 243 Ca -0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3jyh h PHE 243 Cb 1.74 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.48 3jyh h PHE 243 CO 0.10 0.89 0.00 0.41 -2.23 0.00 0.00 178.31 177.49 3jyh n GLY 244 N 1.33 0.91 3.79 2.40 0.00 0.15 -4.82 105.19 108.96 3jyh n GLY 244 Ca -0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.31 3.73 0.08 2.61 -4.23 -0.50 -0.12 115.64 114.90 3jyh s THR 245 Ca 0.00 1.20 -0.15 0.00 -1.18 0.00 0.00 61.69 61.56 3jyh s THR 245 Cb 0.00 -3.56 -0.13 0.00 1.34 0.00 0.00 72.50 70.15 3jyh s THR 245 CO 0.00 -0.11 1.33 0.00 -0.54 0.00 0.00 174.62 175.30 3jyh s GLN 247 N -3.98 3.95 0.53 0.00 1.11 -1.26 -5.06 119.66 114.95 3jyh s GLN 247 Ca -0.12 1.85 -0.21 0.00 0.01 0.00 0.00 55.36 56.89 3jyh s GLN 247 Cb 0.08 -2.60 -0.05 0.00 -1.01 0.00 0.00 33.01 29.42 3jyh s GLN 247 CO 0.85 -0.41 1.24 -1.25 0.01 0.00 0.00 175.29 175.73 3jyh s PRO 248 N -2.41 3.30 0.12 2.91 0.04 -1.26 -4.91 135.00 132.79 3jyh s PRO 248 Ca 0.59 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.66 3jyh s PRO 248 Cb -0.31 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3jyh s PRO 248 CO 0.38 -0.97 -0.26 -0.51 0.04 0.00 0.00 177.00 175.69 3jyh s LEU 249 N -3.54 2.35 0.00 -3.56 1.43 -1.26 -5.04 118.68 109.07 3jyh s LEU 249 Ca 0.71 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3jyh s LEU 249 Cb -0.33 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3jyh s LEU 249 CO 0.38 0.19 0.00 -1.54 0.23 0.00 0.00 176.35 175.61 3jyh n SER 250 N 1.00 0.00 -1.89 2.29 3.41 -1.26 -4.76 113.62 112.42 3jyh n SER 250 Ca -0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.40 3jyh n SER 250 Cb 0.53 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.19 1.12 0.07 4.04 5.68 -1.26 -5.04 116.55 120.97 3jyh n ASP 251 Ca 0.00 -1.32 -0.04 0.00 -0.50 0.00 0.00 54.79 52.93 3jyh n ASP 251 Cb 0.00 0.14 0.16 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.31 -0.83 0.11 -0.00 -2.00 -2.34 114.58 109.83 3jyh h GLU 252 Ca -0.05 -0.17 -0.02 0.00 -0.00 0.00 0.00 59.36 59.12 3jyh h GLU 252 Cb 0.18 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.90 3jyh h GLU 252 CO 0.08 0.73 0.45 -0.22 -0.00 0.00 0.00 179.01 180.04 3jyh h LYS 253 N 0.25 1.15 -0.35 1.06 3.64 -1.99 -1.07 116.57 119.27 3jyh h LYS 253 Ca 0.01 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 3jyh h LYS 253 Cb 0.94 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3jyh h LYS 253 CO 0.08 0.84 -0.45 -0.44 -2.27 0.00 0.00 179.45 177.21 3jyh h ASP 254 N 1.16 0.99 -0.33 4.20 3.32 -1.91 -1.05 116.42 122.80 3jyh h ASP 254 Ca 0.29 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3jyh h ASP 254 Cb 0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3jyh h ASP 254 CO -0.05 1.29 0.16 0.25 -1.72 0.00 0.00 179.24 179.17 3jyh h LEU 255 N 0.73 0.44 -0.47 1.55 5.85 -1.27 -1.65 115.31 120.49 3jyh h LEU 255 Ca 0.04 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3jyh h LEU 255 Cb 1.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3jyh h LEU 255 CO 0.11 0.44 0.24 0.74 -0.34 0.00 0.00 178.44 179.63 3jyh h THR 256 N 0.40 1.17 -0.27 1.05 2.02 -1.13 -0.72 112.91 115.45 3jyh h THR 256 Ca 0.11 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.86 3jyh h THR 256 Cb 0.12 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 3jyh h THR 256 CO -0.01 0.19 0.11 -0.61 0.37 0.00 0.00 175.52 175.56 3jyh h GLN 257 N 0.61 0.24 -0.54 6.66 5.75 -1.14 0.46 115.11 127.15 3jyh h GLN 257 Ca 0.16 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3jyh h GLN 257 Cb 0.08 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 3jyh h GLN 257 CO -0.02 0.16 0.09 1.25 -2.65 0.00 0.00 178.83 177.65 3jyh h LEU 258 N 0.24 0.86 -0.57 -2.39 6.46 -1.09 0.39 115.31 119.23 3jyh h LEU 258 Ca 0.11 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3jyh h LEU 258 Cb 0.06 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.73 3jyh h LEU 258 CO -0.10 0.90 0.34 -0.26 -0.62 0.00 0.00 178.44 178.70 3jyh h PHE 259 N 0.79 0.75 -0.46 1.25 0.04 -0.89 -0.68 116.94 117.73 3jyh h PHE 259 Ca 0.17 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.87 3jyh h PHE 259 Cb 0.40 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 3jyh h PHE 259 CO 0.03 0.52 0.05 0.52 -0.60 0.00 0.00 178.31 178.82 3jyh h MET 260 N 0.76 0.78 -0.13 1.51 2.86 -0.60 0.12 114.93 120.23 3jyh h MET 260 Ca 0.20 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3jyh h MET 260 Cb -0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3jyh h MET 260 CO -0.04 0.81 0.07 0.35 1.06 0.00 0.00 176.91 179.17 3jyh h PHE 261 N 0.64 0.19 -0.34 -0.22 3.57 -0.85 -1.98 116.94 117.95 3jyh h PHE 261 Ca 0.14 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3jyh h PHE 261 Cb 0.43 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3jyh h PHE 261 CO 0.03 0.21 -0.05 0.00 -2.23 0.00 0.00 178.31 176.27 3jyh h ALA 262 N 0.96 0.46 -0.69 2.41 0.00 -1.05 -3.09 119.26 118.27 3jyh h ALA 262 Ca 0.05 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3jyh h ALA 262 Cb 0.08 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3jyh h ALA 262 CO -0.01 0.27 0.31 -0.09 0.00 0.00 0.00 179.25 179.73 3jyh h ARG 263 N 0.42 0.50 -0.23 0.00 2.43 -0.65 -2.09 114.38 114.76 3jyh h ARG 263 Ca 0.09 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3jyh h ARG 263 Cb 0.53 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3jyh h ARG 263 CO 0.03 0.33 0.16 -0.97 -1.51 0.00 0.00 179.97 178.01 3jyh h ASN 264 N 0.51 0.08 -0.80 -3.80 -1.24 -1.28 -1.47 115.58 107.58 3jyh h ASN 264 Ca 0.35 -0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.40 3jyh h ASN 264 Cb 0.42 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.40 3jyh h ASN 264 CO -0.31 0.05 0.50 0.00 -1.29 0.00 0.00 177.43 176.39 3jyh h ALA 265 N 1.88 1.08 -0.32 1.57 0.00 -1.34 -0.07 119.26 122.05 3jyh h ALA 265 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3jyh h ALA 265 Cb 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3jyh h ALA 265 CO -0.01 0.28 -0.18 0.74 0.00 0.00 0.00 179.25 180.08 3jyh h PHE 266 N 0.95 0.80 -0.10 0.00 0.04 -1.35 -1.60 116.94 115.69 3jyh h PHE 266 Ca 0.33 -0.21 0.03 0.00 2.80 0.00 0.00 57.97 60.93 3jyh h PHE 266 Cb 0.08 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3jyh h PHE 266 CO -0.03 0.92 -0.10 1.15 -0.60 0.00 0.00 178.31 179.64 3jyh h THR 267 N 0.46 0.71 -0.56 -1.55 2.02 -1.15 -1.06 112.91 111.77 3jyh h THR 267 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3jyh h THR 267 Cb 0.72 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3jyh h THR 267 CO 0.05 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.87 3jyh h VAL 268 N -0.13 1.07 -0.46 3.16 2.07 -0.87 -1.61 116.25 119.48 3jyh h VAL 268 Ca 0.07 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3jyh h VAL 268 Cb 0.24 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3jyh h VAL 268 CO -0.18 0.12 0.13 -0.07 0.02 0.00 0.00 177.57 177.59 3jyh h LEU 269 N 0.68 0.68 -0.27 2.57 3.38 -1.06 -1.77 115.31 119.52 3jyh h LEU 269 Ca 0.23 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3jyh h LEU 269 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3jyh h LEU 269 CO -0.10 0.72 0.05 0.00 0.09 0.00 0.00 178.44 179.20 3jyh h ALA 270 N 0.99 0.35 -0.25 1.53 0.00 -1.07 -1.78 119.26 119.03 3jyh h ALA 270 Ca 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3jyh h ALA 270 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3jyh h ALA 270 CO -0.00 0.03 -0.00 0.52 0.00 0.00 0.00 179.25 179.79 3jyh h MET 271 N 0.26 0.37 -0.46 0.00 2.86 -1.16 -2.92 114.93 113.88 3jyh h MET 271 Ca 0.08 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 3jyh h MET 271 Cb 0.31 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 3jyh h MET 271 CO 0.00 0.40 0.08 -1.33 1.06 0.00 0.00 176.91 177.13 3jyh n MET 272 N -4.33 3.18 -1.33 1.72 2.81 -0.68 -1.33 117.12 117.16 3jyh n MET 272 Ca 0.01 -3.02 -0.39 0.00 -1.81 0.00 0.00 57.70 52.49 3jyh n MET 272 Cb 0.21 -2.00 -0.03 0.00 -0.71 0.00 0.00 33.22 30.69 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 -0.40 4.19 -4.92 7.83 2.03 -0.68 -4.74 116.55 119.86 3jyh n ASP 273 Ca 0.31 -2.68 -0.29 0.00 0.52 0.00 0.00 54.79 52.65 3jyh n ASP 273 Cb 1.11 -1.38 -0.04 0.00 -0.72 0.00 0.00 41.12 40.10 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 3.72 3.49 -1.86 -0.67 2.02 -1.26 -4.42 117.35 118.37 3jyh s TYR 274 Ca 0.53 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.53 3jyh s TYR 274 Cb 0.14 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 3jyh s TYR 274 CO -0.01 0.47 0.91 -0.35 -1.57 0.00 0.00 175.55 175.00 3jyh n PRO 275 N -0.28 0.98 -3.89 -1.71 -0.04 -1.26 -0.74 135.00 128.06 3jyh n PRO 275 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 3jyh n PRO 275 Cb 0.53 -1.07 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.86 0.17 0.29 0.54 -0.85 -1.26 -4.60 117.35 109.78 3jyh s TYR 276 Ca 0.00 -0.53 -0.30 0.00 -0.52 0.00 0.00 57.07 55.72 3jyh s TYR 276 Cb 0.00 0.22 -0.11 0.00 0.38 0.00 0.00 41.96 42.45 3jyh s TYR 276 CO 0.00 -0.90 1.52 -2.14 -1.52 0.00 0.00 175.55 172.51 3jyh s PRO 277 N -3.95 4.18 0.22 -3.49 0.02 -1.26 -4.06 135.00 126.67 3jyh s PRO 277 Ca 0.16 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.67 3jyh s PRO 277 Cb 0.00 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.42 3jyh s PRO 277 CO 0.02 -0.53 0.01 0.95 -0.33 0.00 0.00 177.00 177.12 3jyh s THR 278 N -0.18 0.90 -0.40 0.99 -4.23 -0.66 -4.94 115.64 107.13 3jyh s THR 278 Ca 0.60 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.19 3jyh s THR 278 Cb -0.45 -2.35 0.30 0.00 1.34 0.00 0.00 72.50 71.34 3jyh s THR 278 CO 0.48 -0.31 0.71 -0.67 -0.54 0.00 0.00 174.62 174.30 3jyh n ASP 279 N -0.39 -0.14 0.00 3.99 2.03 -1.26 -1.04 116.55 119.73 3jyh n ASP 279 Ca -0.05 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.26 3jyh n ASP 279 Cb 0.64 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 3jyh n ASP 279 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3jyh n PHE 280 N 0.84 0.00 -0.12 -0.67 7.35 -1.26 -4.63 117.46 118.97 3jyh n PHE 280 Ca 0.20 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.76 3jyh n PHE 280 Cb 0.61 -0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 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 0.97 -7.58 -2.13 3.38 -1.99 -3.47 115.31 104.49 3jyh h LEU 281 Ca 0.00 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.64 3jyh h LEU 281 Cb 0.00 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.39 3jyh h LEU 281 CO 0.00 1.23 0.42 -0.83 0.09 0.00 0.00 178.44 179.35 3jyh s GLY 282 N -3.81 -0.27 0.03 0.83 0.00 -1.26 -5.13 107.32 97.72 3jyh s GLY 282 Ca -0.11 0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 3jyh s GLY 282 CO 0.87 0.05 1.72 2.56 0.00 0.00 0.00 173.10 178.30 3jyh s PRO 283 N -3.41 4.18 0.03 2.90 0.04 -1.26 -4.13 135.00 133.35 3jyh s PRO 283 Ca 0.10 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.51 3jyh s PRO 283 Cb -0.02 -3.81 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 3jyh s PRO 283 CO 0.00 -0.81 -0.07 -0.51 0.04 0.00 0.00 177.00 175.66 3jyh s LEU 284 N 3.36 2.18 0.91 -3.56 1.43 -0.21 -4.88 118.68 117.90 3jyh s LEU 284 Ca 0.77 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 3jyh s LEU 284 Cb -0.39 -0.19 0.13 0.00 0.03 0.00 0.00 46.19 45.78 3jyh s LEU 284 CO 0.33 -0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.74 3jyh s PRO 285 N -1.14 1.19 0.55 1.29 0.04 -1.26 -1.66 135.00 134.02 3jyh s PRO 285 Ca -0.06 0.52 -0.21 0.00 0.04 0.00 0.00 61.00 61.28 3jyh s PRO 285 Cb -0.08 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 3jyh s PRO 285 CO 0.00 -2.21 1.22 0.00 0.04 0.00 0.00 177.00 176.05 3jyh n ALA 286 N -3.82 1.06 -3.93 8.56 0.00 -1.26 -3.66 120.51 117.46 3jyh n ALA 286 Ca 0.06 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 3jyh n ALA 286 Cb 0.57 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.85 -2.83 0.27 0.00 5.03 0.08 -4.74 115.26 112.22 3jyh n ASN 287 Ca 0.12 -1.11 0.15 0.00 0.87 0.00 0.00 54.58 54.60 3jyh n ASN 287 Cb 0.45 -2.68 0.72 0.00 -1.02 0.00 0.00 39.78 37.25 3jyh n ASN 287 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3jyh h PRO 288 N -2.05 0.00 -0.10 3.52 0.13 -1.78 -0.93 132.00 130.78 3jyh h PRO 288 Ca -0.67 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 3jyh h PRO 288 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 3jyh h PRO 288 CO 0.56 0.09 0.02 0.28 -0.23 0.00 0.00 178.00 178.72 3jyh h VAL 289 N 0.00 1.22 -0.33 1.56 2.07 -1.90 0.30 116.25 119.17 3jyh h VAL 289 Ca -0.00 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3jyh h VAL 289 Cb 0.44 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3jyh h VAL 289 CO 0.01 0.19 0.18 0.50 0.02 0.00 0.00 177.57 178.47 3jyh h LYS 290 N -0.06 0.35 -0.73 1.57 3.64 -1.77 -0.43 116.57 119.14 3jyh h LYS 290 Ca 0.03 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3jyh h LYS 290 Cb 0.29 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3jyh h LYS 290 CO 0.00 0.23 0.46 0.28 -2.27 0.00 0.00 179.45 178.16 3jyh h VAL 291 N 0.36 1.11 -0.20 2.00 2.07 -1.10 -0.20 116.25 120.30 3jyh h VAL 291 Ca 0.13 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3jyh h VAL 291 Cb 0.03 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3jyh h VAL 291 CO -0.08 0.17 0.10 1.23 0.02 0.00 0.00 177.57 179.00 3jyh h GLY 292 N 0.91 0.30 1.10 2.17 0.00 -0.14 -1.13 103.07 106.28 3jyh h GLY 292 Ca 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3jyh h GLY 292 CO -0.10 0.14 0.40 0.00 0.00 0.00 0.00 176.54 176.97 3jyh h ASP 294 N 1.15 0.48 -0.52 0.00 3.32 -0.72 -1.38 116.42 118.74 3jyh h ASP 294 Ca 0.28 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3jyh h ASP 294 Cb 0.10 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3jyh h ASP 294 CO -0.04 0.37 0.34 0.03 -1.72 0.00 0.00 179.24 178.22 3jyh h ARG 295 N 0.55 0.67 0.37 3.56 3.08 -0.90 -2.12 114.38 119.59 3jyh h ARG 295 Ca 0.15 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3jyh h ARG 295 Cb -0.04 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3jyh h ARG 295 CO -0.03 0.45 -0.18 1.25 -1.07 0.00 0.00 179.97 180.39 3jyh h LEU 296 N 0.69 -0.42 -1.46 3.04 6.46 -1.12 -3.18 115.31 119.32 3jyh h LEU 296 Ca 0.20 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3jyh h LEU 296 Cb -0.06 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 3jyh h LEU 296 CO -0.05 -0.30 0.00 -0.07 -0.62 0.00 0.00 178.44 177.40 3jyh h LEU 297 N -0.50 0.00 -1.35 2.25 3.38 -1.18 -2.41 115.31 115.50 3jyh h LEU 297 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3jyh h LEU 297 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3jyh h LEU 297 CO 0.08 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 3jyh n SER 298 N -2.98 1.97 -4.41 -0.43 3.41 -0.81 -4.81 113.62 105.57 3jyh n SER 298 Ca 0.01 -2.07 -0.33 0.00 -0.26 0.00 0.00 58.87 56.22 3jyh n SER 298 Cb 0.28 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.60 3.49 0.25 4.33 0.41 -0.91 -5.00 118.70 119.68 3jyh s GLU 299 Ca 0.22 -0.62 -0.04 0.00 -0.41 0.00 0.00 54.97 54.12 3jyh s GLU 299 Cb 0.13 -2.76 0.35 0.00 -1.78 0.00 0.00 34.13 30.07 3jyh s GLU 299 CO 0.14 0.20 1.89 0.00 -0.49 0.00 0.00 175.26 176.99 3jyh h ALA 300 N 6.80 1.31 -3.20 5.21 0.00 -1.88 -3.41 119.26 124.09 3jyh h ALA 300 Ca -0.29 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 3jyh h ALA 300 Cb 1.20 -0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 3jyh h ALA 300 CO 0.58 0.46 -0.48 -0.65 0.00 0.00 0.00 179.25 179.17 3jyh s GLN 301 N -6.07 4.16 0.22 0.00 -0.21 -1.26 -5.01 119.66 111.49 3jyh s GLN 301 Ca -0.13 -0.21 -0.08 0.00 0.02 0.00 0.00 55.36 54.97 3jyh s GLN 301 Cb 0.19 -3.46 0.29 0.00 1.00 0.00 0.00 33.01 31.03 3jyh s GLN 301 CO 0.81 0.22 1.79 0.00 -2.12 0.00 0.00 175.29 176.00 3jyh h ARG 302 N 6.92 0.62 -0.89 2.91 2.47 -1.93 -1.04 114.38 123.44 3jyh h ARG 302 Ca -0.40 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.26 3jyh h ARG 302 Cb 1.16 -0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 29.29 3jyh h ARG 302 CO 0.73 0.41 0.49 0.82 0.56 0.00 0.00 179.97 182.98 3jyh h ILE 303 N 0.64 1.26 -0.51 2.04 2.04 -1.94 -0.03 117.51 121.02 3jyh h ILE 303 Ca 0.32 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3jyh h ILE 303 Cb 0.28 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3jyh h ILE 303 CO -0.22 0.29 0.21 0.74 0.00 0.00 0.00 178.15 179.16 3jyh h THR 304 N 1.25 1.21 -0.44 -0.27 2.02 -1.66 -1.49 112.91 113.53 3jyh h THR 304 Ca 0.31 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.87 3jyh h THR 304 Cb 0.03 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3jyh h THR 304 CO -0.05 0.25 0.21 1.23 0.37 0.00 0.00 175.52 177.53 3jyh h GLY 305 N 0.69 0.60 0.82 2.16 0.00 -0.48 -0.15 103.07 106.70 3jyh h GLY 305 Ca 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.39 3jyh h GLY 305 CO -0.01 0.10 0.33 -2.00 0.00 0.00 0.00 176.54 174.95 3jyh h LEU 306 N 0.43 0.51 -0.54 3.11 5.85 -0.95 -0.09 115.31 123.63 3jyh h LEU 306 Ca 0.19 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.93 3jyh h LEU 306 Cb 0.11 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3jyh h LEU 306 CO -0.14 0.35 0.35 -0.09 -0.34 0.00 0.00 178.44 178.58 3jyh h ARG 307 N 0.64 0.70 -0.17 1.25 2.43 -0.86 -1.24 114.38 117.13 3jyh h ARG 307 Ca 0.24 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3jyh h ARG 307 Cb 0.07 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3jyh h ARG 307 CO -0.12 0.46 0.03 0.00 -1.51 0.00 0.00 179.97 178.83 3jyh h ALA 308 N 1.20 0.23 -0.43 2.80 0.00 -0.73 -1.71 119.26 120.61 3jyh h ALA 308 Ca 0.20 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3jyh h ALA 308 Cb -0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3jyh h ALA 308 CO -0.05 -0.11 0.07 1.25 0.00 0.00 0.00 179.25 180.41 3jyh h LEU 309 N 0.07 -0.02 -1.69 0.00 6.46 -0.88 -1.57 115.31 117.68 3jyh h LEU 309 Ca 0.05 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3jyh h LEU 309 Cb 0.30 0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3jyh h LEU 309 CO 0.00 0.02 -0.16 0.00 -0.62 0.00 0.00 178.44 177.68 3jyh h ALA 310 N 1.34 1.23 -0.23 1.25 0.00 -1.12 -2.60 119.26 119.13 3jyh h ALA 310 Ca 0.21 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3jyh h ALA 310 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jyh h ALA 310 CO -0.29 0.20 0.17 0.78 0.00 0.00 0.00 179.25 180.11 3jyh h GLY 311 N 1.14 0.00 1.29 0.00 0.00 -0.32 0.82 103.07 106.00 3jyh h GLY 311 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3jyh h GLY 311 CO 0.02 0.00 0.47 1.41 0.00 0.00 0.00 176.54 178.44 3jyh h LEU 312 N 0.00 0.79 0.14 3.11 3.38 -1.51 0.39 115.31 121.60 3jyh h LEU 312 Ca 0.11 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.71 3jyh h LEU 312 Cb 0.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3jyh h LEU 312 CO -0.00 0.57 -1.90 0.58 0.09 0.00 0.00 178.44 177.78 3jyh h VAL 313 N 0.93 0.72 -0.03 1.22 2.07 -1.39 -3.39 116.25 116.38 3jyh h VAL 313 Ca 0.26 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.41 3jyh h VAL 313 Cb -0.08 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3jyh h VAL 313 CO -0.06 0.87 0.00 -1.22 0.02 0.00 0.00 177.57 177.18 3jyh n TYR 314 N -3.56 0.02 -2.72 1.57 4.01 0.16 -4.62 117.16 112.01 3jyh n TYR 314 Ca -0.30 -0.02 -0.05 0.00 -0.16 0.00 0.00 57.90 57.37 3jyh n TYR 314 Cb 1.04 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 40.13 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 0.53 0.42 -0.15 7.72 5.15 0.13 -4.84 115.26 124.22 3jyh n ASN 315 Ca 0.06 -2.38 -0.08 0.00 -0.60 0.00 0.00 54.58 51.57 3jyh n ASN 315 Cb 0.25 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.45 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 2.40 0.57 0.00 5.20 0.00 -1.62 -2.24 119.26 123.56 3jyh h ALA 316 Ca -0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3jyh h ALA 316 Cb 1.25 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3jyh h ALA 316 CO 0.20 0.13 -0.04 0.66 0.00 0.00 0.00 179.25 180.19 3jyh h SER 317 N 0.57 0.00 0.00 0.00 4.64 -1.92 -3.46 113.55 113.38 3jyh h SER 317 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3jyh h SER 317 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3jyh h SER 317 CO -0.02 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3jyh n GLY 318 N -1.25 0.72 0.94 -0.77 0.00 -0.84 -4.94 105.19 99.05 3jyh n GLY 318 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 3.38 -4.60 1.61 3.41 -1.26 -4.87 113.62 111.28 3jyh n SER 319 Ca 0.00 -2.03 -0.41 0.00 -0.26 0.00 0.00 58.87 56.17 3jyh n SER 319 Cb 0.00 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 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 -1.05 3.93 0.21 4.33 0.41 -1.26 -4.91 118.70 120.35 3jyh s GLU 320 Ca 0.34 0.25 0.10 0.00 -0.41 0.00 0.00 54.97 55.25 3jyh s GLU 320 Cb 0.18 -3.71 0.06 0.00 -1.78 0.00 0.00 34.13 28.88 3jyh s GLU 320 CO 0.22 -0.50 1.43 0.45 -0.49 0.00 0.00 175.26 176.38 3jyh h HIS 321 N 8.15 0.00 -3.72 1.61 3.86 -1.97 -3.46 115.15 119.62 3jyh h HIS 321 Ca -0.28 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 3jyh h HIS 321 Cb 1.13 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.46 3jyh h HIS 321 CO 0.75 0.77 -0.31 0.00 0.86 0.00 0.00 177.93 180.00 3jyh s TYR 323 N -3.82 3.30 -0.85 0.00 2.02 0.83 -4.73 117.35 114.10 3jyh s TYR 323 Ca 0.04 0.54 -0.20 0.00 -0.37 0.00 0.00 57.07 57.08 3jyh s TYR 323 Cb 0.04 -2.59 0.10 0.00 -0.40 0.00 0.00 41.96 39.12 3jyh s TYR 323 CO -0.11 -0.16 1.11 0.34 -1.57 0.00 0.00 175.55 175.15 3jyh s ASP 324 N 1.40 6.47 0.51 2.29 -1.08 -1.26 -0.39 116.67 124.60 3jyh s ASP 324 Ca 0.18 -1.65 0.24 0.00 -0.52 0.00 0.00 52.55 50.80 3jyh s ASP 324 Cb -0.15 -2.42 1.36 0.00 -1.46 0.00 0.00 42.92 40.24 3jyh s ASP 324 CO 0.09 -1.23 2.06 0.16 0.52 0.00 0.00 175.17 176.78 3jyh h ILE 325 N 5.97 0.72 0.22 4.11 3.07 -1.95 0.72 117.51 130.37 3jyh h ILE 325 Ca 0.02 -0.52 -0.35 0.00 1.55 0.00 0.00 64.86 65.56 3jyh h ILE 325 Cb 1.04 1.31 0.02 0.00 -0.27 0.00 0.00 36.82 38.92 3jyh h ILE 325 CO 1.16 0.13 -1.66 1.88 -1.05 0.00 0.00 178.15 178.61 3jyh h TYR 326 N 0.00 0.83 -0.10 0.16 0.05 -1.91 -3.09 116.97 112.90 3jyh h TYR 326 Ca -0.00 -0.60 -0.15 0.00 0.05 0.00 0.00 58.73 58.03 3jyh h TYR 326 Cb 0.30 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 3jyh h TYR 326 CO 0.00 1.64 -0.58 -0.09 -1.05 0.00 0.00 178.16 178.08 3jyh h ARG 327 N 0.12 0.33 0.00 4.88 2.43 -1.90 -3.33 114.38 116.92 3jyh h ARG 327 Ca -0.31 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.60 3jyh h ARG 327 Cb 2.13 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.70 3jyh h ARG 327 CO 0.22 0.82 -0.72 -0.07 -1.51 0.00 0.00 179.97 178.70 3jyh h LEU 328 N 0.25 0.00 -7.37 3.80 3.38 -1.01 -3.44 115.31 110.92 3jyh h LEU 328 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 3jyh h LEU 328 Cb 1.09 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.46 3jyh h LEU 328 CO 0.10 0.15 -0.74 -0.47 0.09 0.00 0.00 178.44 177.57 3jyh s TYR 329 N -3.20 0.07 -0.48 1.13 5.04 -1.17 -4.95 117.35 113.78 3jyh s TYR 329 Ca 0.02 0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.75 3jyh s TYR 329 Cb 0.08 -0.43 0.11 0.00 0.35 0.00 0.00 41.96 42.07 3jyh s TYR 329 CO 0.75 -0.17 0.38 -1.01 -1.34 0.00 0.00 175.55 174.17 3jyh s HIS 330 N 1.88 3.36 -0.00 4.97 3.76 -1.26 -4.49 115.29 123.50 3jyh s HIS 330 Ca 0.01 -1.61 -0.31 0.00 -0.15 0.00 0.00 55.06 53.00 3jyh s HIS 330 Cb -0.12 -3.50 -0.09 0.00 1.11 0.00 0.00 32.58 29.98 3jyh s HIS 330 CO -0.03 -0.97 1.98 0.45 -0.85 0.00 0.00 174.74 175.32 3jyh n SER 331 N 5.02 3.99 -1.30 1.40 2.88 -1.26 -4.31 113.62 120.04 3jyh n SER 331 Ca -0.10 0.87 -0.03 0.00 -1.33 0.00 0.00 58.87 58.28 3jyh n SER 331 Cb 0.41 -1.50 -0.01 0.00 -0.75 0.00 0.00 64.21 62.36 3jyh n SER 331 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3jyh n ALA 333 N -2.68 2.05 -3.20 0.00 0.00 -1.26 -4.25 120.51 111.16 3jyh n ALA 333 Ca -0.02 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 3jyh n ALA 333 Cb 0.08 -1.32 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.53 5.78 0.43 0.00 -1.08 -1.26 -4.64 116.67 113.37 3jyh s ASP 334 Ca 0.19 -1.50 0.29 0.00 -0.52 0.00 0.00 52.55 51.02 3jyh s ASP 334 Cb 0.13 -2.04 1.58 0.00 -1.46 0.00 0.00 42.92 41.13 3jyh s ASP 334 CO 0.29 -0.58 1.89 1.55 0.52 0.00 0.00 175.17 178.84 3jyh h PRO 335 N 8.51 0.00 -0.15 4.34 0.13 -1.74 0.23 132.00 143.31 3jyh h PRO 335 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3jyh h PRO 335 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3jyh h PRO 335 CO 0.80 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.82 3jyh n THR 336 N -2.52 0.19 0.00 1.56 -2.24 -1.26 -4.97 114.28 105.04 3jyh n THR 336 Ca -0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3jyh n THR 336 Cb 0.05 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.21 2.28 0.00 3.38 0.00 0.79 -4.96 105.19 107.90 3jyh n GLY 337 Ca 0.17 -1.60 0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 1.45 -0.98 3.24 0.00 0.00 -1.26 -4.08 105.19 103.55 3jyh n GLY 339 Ca 0.02 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.39 0.00 2.61 -4.23 -1.26 -4.40 115.64 108.76 3jyh s THR 340 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 3jyh s THR 340 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3jyh s THR 340 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3jyh n GLY 341 N -0.29 -2.48 0.37 3.99 0.00 -1.26 -3.83 105.19 101.68 3jyh n GLY 341 Ca -0.02 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.39 3jyh n GLY 341 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyh h PRO 342 N 0.00 0.83 -0.38 1.61 0.13 -1.98 -2.20 132.00 130.00 3jyh h PRO 342 Ca 0.00 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 3jyh h PRO 342 Cb 0.00 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 30.92 3jyh h PRO 342 CO 0.00 0.55 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.84 3jyh h ASP 343 N 0.85 0.60 -0.61 1.44 3.32 -1.86 -1.95 116.42 118.21 3jyh h ASP 343 Ca 0.47 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 3jyh h ASP 343 Cb 0.59 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3jyh h ASP 343 CO -0.24 0.70 0.23 0.00 -1.72 0.00 0.00 179.24 178.21 3jyh h ALA 344 N 1.37 1.19 -0.27 3.45 0.00 -1.50 -2.47 119.26 121.01 3jyh h ALA 344 Ca 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3jyh h ALA 344 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3jyh h ALA 344 CO 0.02 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 3jyh h ARG 345 N 0.94 0.53 -0.67 0.00 3.08 -1.28 -0.95 114.38 116.03 3jyh h ARG 345 Ca 0.21 -0.21 0.02 0.00 0.07 0.00 0.00 59.98 60.08 3jyh h ARG 345 Cb 0.23 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3jyh h ARG 345 CO -0.01 0.74 0.42 0.00 -1.07 0.00 0.00 179.97 180.05 3jyh h ALA 346 N 0.77 0.86 -0.38 0.04 0.00 -1.36 -1.22 119.26 117.97 3jyh h ALA 346 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3jyh h ALA 346 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3jyh h ALA 346 CO 0.03 0.21 -0.26 2.35 0.00 0.00 0.00 179.25 181.58 3jyh h TRP 347 N 0.85 0.99 -0.87 0.00 2.91 -1.38 -2.18 115.95 116.27 3jyh h TRP 347 Ca 0.26 -0.27 0.10 0.00 1.13 0.00 0.00 58.89 60.11 3jyh h TRP 347 Cb -0.03 -0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 28.33 3jyh h TRP 347 CO -0.04 1.05 0.51 0.22 -1.03 0.00 0.00 178.44 179.16 3jyh h ASP 348 N 0.65 0.75 -0.50 2.65 3.58 -0.94 0.13 116.42 122.74 3jyh h ASP 348 Ca 0.07 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.58 3jyh h ASP 348 Cb 0.83 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.75 3jyh h ASP 348 CO 0.07 0.42 0.32 0.22 -2.88 0.00 0.00 179.24 177.39 3jyh h TYR 349 N 0.85 0.59 -0.61 0.28 3.20 -0.80 0.10 116.97 120.59 3jyh h TYR 349 Ca 0.42 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.24 3jyh h TYR 349 Cb 0.37 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3jyh h TYR 349 CO -0.05 0.36 0.14 1.96 -1.64 0.00 0.00 178.16 178.93 3jyh h GLN 350 N 0.64 0.99 0.00 1.82 4.20 -0.66 -2.09 115.11 120.00 3jyh h GLN 350 Ca 0.19 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3jyh h GLN 350 Cb -0.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3jyh h GLN 350 CO -0.06 0.91 0.00 0.00 -0.67 0.00 0.00 178.83 179.00 3jyh h ALA 351 N 1.04 1.00 -0.01 3.87 0.00 -0.38 -0.41 119.26 124.37 3jyh h ALA 351 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3jyh h ALA 351 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3jyh h ALA 351 CO 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 179.25 179.10 3jyh n THR 353 N -0.30 0.23 -0.06 0.00 -2.24 -0.91 -2.85 114.28 108.15 3jyh n THR 353 Ca 0.15 0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 61.93 3jyh n THR 353 Cb 0.36 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.83 1.36 -3.06 -0.78 1.02 -0.52 -1.47 120.64 114.35 3jyh n GLU 354 Ca 0.00 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 3jyh n GLU 354 Cb 0.00 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.27 4.90 -0.45 -3.67 -1.09 -0.28 -4.47 121.20 113.89 3jyh s ILE 355 Ca -0.11 1.00 -0.17 0.00 -2.23 0.00 0.00 60.65 59.14 3jyh s ILE 355 Cb 0.04 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.93 3jyh s ILE 355 CO 0.38 -0.14 0.46 0.20 -1.23 0.00 0.00 174.94 174.61 3jyh s ASN 356 N 1.60 6.19 -0.54 3.58 0.01 -0.99 -4.32 114.94 120.48 3jyh s ASN 356 Ca 0.27 -0.84 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 3jyh s ASN 356 Cb -0.15 -2.23 0.35 0.00 0.41 0.00 0.00 41.25 39.63 3jyh s ASN 356 CO 0.11 -0.65 0.93 0.18 -1.51 0.00 0.00 177.10 176.17 3jyh n LEU 357 N 5.63 3.98 -4.05 0.60 4.77 -1.26 -4.02 117.00 122.65 3jyh n LEU 357 Ca -0.08 -5.53 -0.43 0.00 -0.03 0.00 0.00 56.01 49.94 3jyh n LEU 357 Cb 0.46 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3jyh n LEU 357 CO 0.48 2.33 1.48 0.35 -1.33 0.00 0.00 177.39 180.69 3jyh n THR 358 N -0.20 4.69 -4.13 -5.08 -2.24 -1.26 -4.27 114.28 101.81 3jyh n THR 358 Ca 0.31 -5.07 -0.30 0.00 -2.27 0.00 0.00 64.05 56.71 3jyh n THR 358 Cb 0.46 -2.30 -0.08 0.00 -2.10 0.00 0.00 70.33 66.31 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 -0.70 3.04 0.10 4.78 0.08 -1.26 -4.74 117.98 119.29 3jyh s PHE 359 Ca 0.36 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.45 3jyh s PHE 359 Cb 0.04 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 3jyh s PHE 359 CO 0.03 0.49 -0.09 0.00 -0.10 0.00 0.00 175.22 175.55 3jyh s ALA 360 N -1.30 1.10 0.13 5.36 0.00 -0.71 -4.33 121.76 122.00 3jyh s ALA 360 Ca 0.26 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3jyh s ALA 360 Cb -0.12 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3jyh s ALA 360 CO 0.18 -0.10 0.03 -1.54 0.00 0.00 0.00 175.76 174.34 3jyh s SER 361 N -2.68 5.10 0.00 0.00 1.04 -1.13 -4.54 113.70 111.50 3jyh s SER 361 Ca 0.08 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.30 3jyh s SER 361 Cb -0.00 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.90 3jyh s SER 361 CO -0.01 0.13 0.10 -0.46 0.98 0.00 0.00 173.24 173.98 3jyh n ASN 362 N 0.20 0.19 -0.49 7.02 0.23 -1.25 -1.10 115.26 120.06 3jyh n ASN 362 Ca -0.10 -0.69 -0.06 0.00 -0.53 0.00 0.00 54.58 53.20 3jyh n ASN 362 Cb 0.53 0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.11 -4.86 0.04 0.53 5.15 -0.60 -4.44 115.26 110.97 3jyh n ASN 363 Ca 0.00 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3jyh n ASN 363 Cb 0.11 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 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 -2.45 0.95 1.43 3.44 0.31 -1.26 -4.79 118.33 115.97 3jyh n VAL 364 Ca -0.06 0.32 0.14 0.00 -0.01 0.00 0.00 64.34 64.72 3jyh n VAL 364 Cb 0.39 -1.53 0.49 0.00 -0.91 0.00 0.00 33.84 32.28 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 -3.40 0.00 -4.32 2.52 -2.24 -1.26 -4.92 114.28 100.66 3jyh n THR 365 Ca 0.00 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 3jyh n THR 365 Cb 0.10 0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.12 1.56 -0.08 3.42 1.47 -1.26 -4.41 116.67 115.25 3jyh s ASP 366 Ca 0.35 -1.62 0.18 0.00 1.18 0.00 0.00 52.55 52.63 3jyh s ASP 366 Cb 0.21 0.46 0.67 0.00 -0.34 0.00 0.00 42.92 43.92 3jyh s ASP 366 CO 0.38 -0.95 1.57 1.15 0.68 0.00 0.00 175.17 178.00 3jyh n MET 367 N -0.60 3.38 -4.01 2.11 0.00 -1.26 -3.99 117.12 112.75 3jyh n MET 367 Ca 0.03 -2.66 -0.22 0.00 0.00 0.00 0.00 57.70 54.85 3jyh n MET 367 Cb 0.64 -1.80 -0.05 0.00 0.00 0.00 0.00 33.22 32.02 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 -1.67 2.87 1.04 3.17 0.08 -1.26 -4.34 117.98 117.87 3jyh s PHE 368 Ca 0.48 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 3jyh s PHE 368 Cb 0.30 -1.61 0.21 0.00 -0.57 0.00 0.00 43.02 41.35 3jyh s PHE 368 CO 0.25 0.34 1.07 -2.14 -0.10 0.00 0.00 175.22 174.64 3jyh s PRO 369 N -3.89 0.06 -0.57 0.24 0.02 -1.26 -1.55 135.00 128.06 3jyh s PRO 369 Ca 0.37 0.82 -0.27 0.00 0.02 0.00 0.00 61.00 61.94 3jyh s PRO 369 Cb -0.05 -1.67 -0.00 0.00 0.02 0.00 0.00 34.50 32.79 3jyh s PRO 369 CO 0.24 -3.06 1.63 0.34 -0.33 0.00 0.00 177.00 175.82 3jyh s ASP 370 N -2.97 5.76 -0.50 2.53 -1.08 -1.26 -3.78 116.67 115.37 3jyh s ASP 370 Ca 0.66 0.37 0.04 0.00 -0.52 0.00 0.00 52.55 53.10 3jyh s ASP 370 Cb -0.22 -2.54 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 3jyh s ASP 370 CO 0.60 -1.98 0.36 -0.76 0.52 0.00 0.00 175.17 173.91 3jyh s LEU 371 N 7.33 2.68 0.61 -1.34 1.43 -0.26 -4.98 118.68 124.15 3jyh s LEU 371 Ca 0.60 -3.18 -0.18 0.00 -1.03 0.00 0.00 54.13 50.34 3jyh s LEU 371 Cb -0.13 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 3jyh s LEU 371 CO 0.23 -0.17 1.23 -2.16 0.23 0.00 0.00 176.35 175.72 3jyh s PRO 372 N -0.30 2.83 -0.11 1.29 0.04 -1.26 -2.85 135.00 134.66 3jyh s PRO 372 Ca 0.27 1.89 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 3jyh s PRO 372 Cb -0.06 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3jyh s PRO 372 CO -0.14 -1.33 0.23 0.12 0.04 0.00 0.00 177.00 175.92 3jyh s PHE 373 N -1.54 -0.32 0.15 0.56 5.36 -1.26 -4.98 117.98 115.95 3jyh s PHE 373 Ca 0.79 0.79 0.01 0.00 -0.96 0.00 0.00 56.93 57.56 3jyh s PHE 373 Cb -0.32 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.27 3jyh s PHE 373 CO 0.35 -0.27 -0.01 0.95 -1.46 0.00 0.00 175.22 174.78 3jyh s THR 374 N 1.77 0.61 0.28 0.12 -4.23 -1.26 -4.54 115.64 108.39 3jyh s THR 374 Ca -0.04 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3jyh s THR 374 Cb -0.11 -1.99 0.27 0.00 1.34 0.00 0.00 72.50 72.01 3jyh s THR 374 CO -0.08 -0.59 1.74 0.44 -0.54 0.00 0.00 174.62 175.59 3jyh h ASP 375 N 2.79 0.49 -0.14 3.99 3.32 -1.98 0.23 116.42 125.11 3jyh h ASP 375 Ca -0.36 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3jyh h ASP 375 Cb 1.19 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3jyh h ASP 375 CO 0.63 0.14 0.05 -0.08 -1.72 0.00 0.00 179.24 178.26 3jyh h GLU 376 N 0.55 0.22 -0.66 3.56 4.57 -1.99 0.30 114.58 121.13 3jyh h GLU 376 Ca 0.52 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.61 3jyh h GLU 376 Cb 0.85 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3jyh h GLU 376 CO -0.43 0.33 0.22 -0.07 -1.18 0.00 0.00 179.01 177.88 3jyh h LEU 377 N 0.06 0.94 -0.58 1.64 3.38 -1.81 -2.52 115.31 116.43 3jyh h LEU 377 Ca 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3jyh h LEU 377 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3jyh h LEU 377 CO -0.00 0.89 0.37 -0.09 0.09 0.00 0.00 178.44 179.70 3jyh h ARG 378 N 0.95 0.78 -0.34 1.13 2.43 -0.71 -1.78 114.38 116.83 3jyh h ARG 378 Ca 0.21 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3jyh h ARG 378 Cb 0.27 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3jyh h ARG 378 CO -0.01 0.53 0.20 0.37 -1.51 0.00 0.00 179.97 179.56 3jyh h GLN 379 N 0.79 0.46 -0.15 0.20 4.15 -0.19 0.23 115.11 120.60 3jyh h GLN 379 Ca 0.21 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3jyh h GLN 379 Cb -0.06 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3jyh h GLN 379 CO -0.04 0.35 0.06 0.00 -1.93 0.00 0.00 178.83 177.27 3jyh h ARG 380 N 0.44 0.22 -0.54 1.69 3.08 -1.37 -0.66 114.38 117.23 3jyh h ARG 380 Ca 0.12 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3jyh h ARG 380 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3jyh h ARG 380 CO -0.02 0.29 0.27 -0.92 -1.07 0.00 0.00 179.97 178.51 3jyh h TYR 381 N 0.10 0.49 -0.21 3.04 3.20 -1.09 -2.20 116.97 120.29 3jyh h TYR 381 Ca 0.05 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 3jyh h TYR 381 Cb 0.15 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3jyh h TYR 381 CO -0.02 0.23 -0.50 0.00 -1.64 0.00 0.00 178.16 176.22 3jyh h LEU 383 N 0.46 -0.09 -0.48 0.00 3.38 -1.08 -0.41 115.31 117.08 3jyh h LEU 383 Ca 0.02 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3jyh h LEU 383 Cb 1.04 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3jyh h LEU 383 CO 0.10 0.08 0.18 0.44 0.09 0.00 0.00 178.44 179.32 3jyh h ASP 384 N -0.26 0.19 0.20 -0.43 3.32 -1.32 0.19 116.42 118.32 3jyh h ASP 384 Ca -0.01 0.05 -0.33 0.00 0.02 0.00 0.00 57.03 56.77 3jyh h ASP 384 Cb 0.22 0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.82 3jyh h ASP 384 CO 0.02 0.14 -1.54 0.74 -1.72 0.00 0.00 179.24 176.87 3jyh h THR 385 N 0.35 1.12 0.00 0.35 2.02 -1.12 -3.41 112.91 112.22 3jyh h THR 385 Ca 0.23 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.84 3jyh h THR 385 Cb 0.22 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 3jyh h THR 385 CO -0.22 0.81 -0.22 0.79 0.37 0.00 0.00 175.52 177.05 3jyh n TRP 386 N -3.72 0.00 -2.93 3.16 7.02 -0.21 -4.87 117.44 115.89 3jyh n TRP 386 Ca -0.21 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.09 3jyh n TRP 386 Cb 1.05 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.97 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 1.16 -0.27 3.26 6.99 0.00 0.67 -4.80 105.19 112.21 3jyh n GLY 387 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.08 1.53 -0.23 1.61 -7.23 -1.22 -4.96 120.40 106.82 3jyh s VAL 388 Ca 0.27 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.73 3jyh s VAL 388 Cb -0.12 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 3jyh s VAL 388 CO 0.34 -0.18 0.40 0.26 -0.31 0.00 0.00 175.10 175.61 3jyh s TRP 389 N -1.42 3.32 0.55 2.82 0.52 -1.26 -3.18 118.94 120.29 3jyh s TRP 389 Ca 0.06 0.55 -0.19 0.00 0.02 0.00 0.00 56.10 56.53 3jyh s TRP 389 Cb -0.09 -2.56 -0.08 0.00 -1.15 0.00 0.00 33.47 29.60 3jyh s TRP 389 CO 0.04 -0.11 0.77 -2.30 0.02 0.00 0.00 176.95 175.37 3jyh n PRO 390 N 4.86 0.79 -3.89 4.98 -0.02 -1.13 -4.84 135.00 135.74 3jyh n PRO 390 Ca -0.08 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 3jyh n PRO 390 Cb 0.51 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.32 2.19 0.31 -0.52 0.52 -0.54 -4.98 118.95 113.61 3jyh s ARG 391 Ca 0.71 -3.00 0.24 0.00 -0.52 0.00 0.00 55.73 53.16 3jyh s ARG 391 Cb -0.46 -3.26 1.11 0.00 0.52 0.00 0.00 34.95 32.86 3jyh s ARG 391 CO 0.52 -1.23 1.73 -1.35 0.02 0.00 0.00 175.30 174.99 3jyh h PRO 392 N 5.83 0.00 0.00 3.54 0.11 -1.92 -1.69 132.00 137.87 3jyh h PRO 392 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3jyh h PRO 392 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3jyh h PRO 392 CO 0.68 0.00 -1.06 -0.25 -0.21 0.00 0.00 178.00 177.17 3jyh n ASP 393 N -2.32 0.61 -0.15 -2.05 8.00 -1.26 -4.58 116.55 114.79 3jyh n ASP 393 Ca 0.01 -0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 3jyh n ASP 393 Cb 0.17 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 42.09 3jyh n ASP 393 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3jyh h TRP 394 N 0.00 0.63 -0.41 1.24 2.91 -1.65 -2.81 115.95 115.85 3jyh h TRP 394 Ca 0.00 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.92 3jyh h TRP 394 Cb 0.74 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 3jyh h TRP 394 CO 0.00 0.52 -0.02 1.25 -1.03 0.00 0.00 178.44 179.16 3jyh h LEU 395 N 0.55 0.64 -0.24 0.65 5.85 -1.78 0.55 115.31 121.54 3jyh h LEU 395 Ca 0.15 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3jyh h LEU 395 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3jyh h LEU 395 CO -0.02 0.73 -0.04 0.25 -0.34 0.00 0.00 178.44 179.02 3jyh h LEU 396 N 0.63 0.46 -0.32 2.25 5.85 -1.75 0.11 115.31 122.54 3jyh h LEU 396 Ca 0.13 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.56 3jyh h LEU 396 Cb 0.43 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3jyh h LEU 396 CO 0.02 0.71 -0.17 0.74 -0.34 0.00 0.00 178.44 179.39 3jyh h THR 397 N 0.21 0.50 -0.02 1.05 2.02 -1.18 -2.35 112.91 113.14 3jyh h THR 397 Ca 0.06 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.03 3jyh h THR 397 Cb 0.50 0.50 0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3jyh h THR 397 CO 0.02 0.00 -0.82 -1.28 0.37 0.00 0.00 175.52 173.81 3jyh h SER 398 N -0.13 0.76 0.00 4.18 0.87 -0.77 -3.39 113.55 115.07 3jyh h SER 398 Ca 0.16 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 3jyh h SER 398 Cb 0.38 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3jyh h SER 398 CO -0.40 1.39 0.00 0.49 -0.53 0.00 0.00 176.83 177.78 3jyh n PHE 399 N -4.02 0.00 -0.14 2.24 3.72 0.36 -5.03 117.46 114.59 3jyh n PHE 399 Ca -0.10 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 3jyh n PHE 399 Cb 0.78 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 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 -0.47 0.00 0.00 1.38 8.01 -0.88 -4.91 117.44 120.56 3jyh n TRP 400 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3jyh n TRP 400 Cb 0.25 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 3jyh n TRP 400 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3jyh n GLY 401 N -2.00 3.87 0.12 6.99 0.00 -1.26 -1.63 105.19 111.29 3jyh n GLY 401 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.95 3.51 -0.02 0.00 -1.26 -4.71 105.19 101.76 3jyh n GLY 402 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.72 6.83 -0.22 1.61 2.15 -0.64 -4.77 116.67 118.91 3jyh s ASP 403 Ca 0.19 -2.41 0.15 0.00 0.43 0.00 0.00 52.55 50.91 3jyh s ASP 403 Cb 0.19 -2.48 0.61 0.00 -0.30 0.00 0.00 42.92 40.94 3jyh s ASP 403 CO 0.58 -1.05 1.54 0.18 -0.17 0.00 0.00 175.17 176.25 3jyh n LEU 404 N 7.14 4.55 -0.34 -1.34 4.77 -1.26 -4.68 117.00 125.83 3jyh n LEU 404 Ca 0.37 -3.10 0.15 0.00 -0.03 0.00 0.00 56.01 53.40 3jyh n LEU 404 Cb 0.46 -0.61 0.35 0.00 -2.33 0.00 0.00 43.42 41.29 3jyh n LEU 404 CO 0.65 0.74 1.16 0.03 -1.33 0.00 0.00 177.39 178.63 3jyh h ARG 405 N 2.26 0.61 -0.00 3.23 3.08 -1.90 -1.52 114.38 120.13 3jyh h ARG 405 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3jyh h ARG 405 Cb 1.69 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3jyh h ARG 405 CO 0.36 0.40 -0.29 0.00 -1.07 0.00 0.00 179.97 179.38 3jyh n ALA 406 N -2.34 3.07 -1.74 0.04 0.00 -1.26 -4.88 120.51 113.40 3jyh n ALA 406 Ca 0.25 -0.28 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3jyh n ALA 406 Cb 0.66 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.85 2.79 0.02 0.00 0.00 -0.57 -5.10 121.76 116.04 3jyh s ALA 407 Ca 0.16 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 3jyh s ALA 407 Cb 0.18 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.24 3jyh s ALA 407 CO 0.60 -1.12 0.37 -1.54 0.00 0.00 0.00 175.76 174.06 3jyh s SER 408 N -4.07 -0.23 -0.94 0.00 1.04 -1.26 -4.81 113.70 103.42 3jyh s SER 408 Ca 0.58 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 3jyh s SER 408 Cb -0.12 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3jyh s SER 408 CO 0.54 -0.57 0.81 0.59 0.98 0.00 0.00 173.24 175.59 3jyh n ASN 409 N 0.84 -4.27 -4.03 7.02 3.02 -0.84 -4.86 115.26 112.14 3jyh n ASN 409 Ca -0.20 -0.57 -0.22 0.00 -0.03 0.00 0.00 54.58 53.56 3jyh n ASN 409 Cb 0.58 -4.46 -0.16 0.00 -0.61 0.00 0.00 39.78 35.13 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 -3.32 0.98 -0.22 2.41 1.01 -0.82 -0.96 121.20 120.27 3jyh s ILE 410 Ca 0.22 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.34 3jyh s ILE 410 Cb -0.03 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 3jyh s ILE 410 CO 0.62 0.30 0.09 -0.63 0.00 0.00 0.00 174.94 175.33 3jyh s ILE 411 N 0.27 4.79 -0.50 2.92 1.01 0.22 -1.09 121.20 128.82 3jyh s ILE 411 Ca -0.06 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 3jyh s ILE 411 Cb -0.11 -3.21 0.10 0.00 0.01 0.00 0.00 42.46 39.25 3jyh s ILE 411 CO 0.01 0.38 0.44 -0.36 0.00 0.00 0.00 174.94 175.41 3jyh s PHE 412 N 1.00 3.26 0.05 3.97 0.08 0.20 -0.08 117.98 126.45 3jyh s PHE 412 Ca 0.05 -1.14 -0.09 0.00 0.12 0.00 0.00 56.93 55.87 3jyh s PHE 412 Cb -0.14 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 38.80 3jyh s PHE 412 CO 0.03 -0.91 0.35 -1.54 -0.10 0.00 0.00 175.22 173.06 3jyh s SER 413 N 3.04 6.59 -0.02 1.36 1.04 -0.88 -0.99 113.70 123.85 3jyh s SER 413 Ca 0.04 0.71 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 3jyh s SER 413 Cb -0.27 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3jyh s SER 413 CO 0.05 0.21 0.17 0.20 0.98 0.00 0.00 173.24 174.85 3jyh s ASN 414 N -1.68 -0.06 -0.12 7.02 0.01 0.56 0.01 114.94 120.68 3jyh s ASN 414 Ca 0.30 -0.00 -0.06 0.00 -0.71 0.00 0.00 52.86 52.39 3jyh s ASN 414 Cb -0.14 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.75 3jyh s ASN 414 CO 0.17 -0.28 0.08 -0.83 -1.51 0.00 0.00 177.10 174.73 3jyh s GLY 415 N -0.92 2.00 0.34 0.66 0.00 -1.25 0.16 107.32 108.32 3jyh s GLY 415 Ca -0.10 -0.72 0.27 0.00 0.00 0.00 0.00 44.72 44.17 3jyh s GLY 415 CO 0.01 -0.33 1.79 3.45 0.00 0.00 0.00 173.10 178.02 3jyh h ASN 416 N 5.45 0.00 0.75 1.64 -1.07 -1.04 -1.62 115.58 119.68 3jyh h ASN 416 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 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 0.60 0.00 -0.36 0.18 0.07 0.00 0.00 177.43 177.92 3jyh n LEU 417 N -2.48 0.41 -4.67 6.14 4.77 0.22 -4.86 117.00 116.52 3jyh n LEU 417 Ca 0.02 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 3jyh n LEU 417 Cb 0.25 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3jyh n LEU 417 CO 0.22 0.04 0.82 -0.62 -1.33 0.00 0.00 177.39 176.52 3jyh s ASP 418 N -3.29 7.14 0.57 -1.43 2.15 -0.61 -4.68 116.67 116.52 3jyh s ASP 418 Ca 0.11 1.41 0.27 0.00 0.43 0.00 0.00 52.55 54.77 3jyh s ASP 418 Cb 0.17 -2.53 1.69 0.00 -0.30 0.00 0.00 42.92 41.95 3jyh s ASP 418 CO 0.65 -0.54 2.22 1.55 -0.17 0.00 0.00 175.17 178.88 3jyh h PRO 419 N 7.30 0.00 0.00 4.34 0.13 -1.87 -1.38 132.00 140.52 3jyh h PRO 419 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3jyh h PRO 419 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3jyh h PRO 419 CO 0.91 0.01 0.00 -1.49 -0.23 0.00 0.00 178.00 177.20 3jyh h TRP 420 N 0.00 0.00 -0.80 1.56 4.06 -1.91 -3.32 115.95 115.55 3jyh h TRP 420 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3jyh h TRP 420 Cb 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 3jyh h TRP 420 CO 0.00 0.00 0.49 0.00 -3.56 0.00 0.00 178.44 175.37 3jyh h ALA 421 N 2.18 1.08 0.00 1.49 0.00 -1.49 -0.99 119.26 121.53 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 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3jyh h ALA 421 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3jyh n GLY 422 N -1.32 -0.94 0.88 0.00 0.00 -1.25 -1.86 105.19 100.69 3jyh n GLY 422 Ca 0.11 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.89 1.10 0.00 -0.02 0.00 -0.37 -4.88 105.19 100.12 3jyh n GLY 423 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.32 6.70 3.64 -0.02 0.00 -0.78 -1.35 105.19 114.70 3jyh n GLY 424 Ca 0.18 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 0.20 5.06 -0.64 -0.61 -1.09 -1.26 -4.79 121.20 118.07 3jyh s ILE 425 Ca 0.00 1.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.51 3jyh s ILE 425 Cb 0.00 -3.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 3jyh s ILE 425 CO 0.00 0.12 0.52 0.54 -1.23 0.00 0.00 174.94 174.89 3jyh n ARG 426 N 5.17 2.37 -4.07 2.79 5.12 -1.26 -4.81 116.66 121.97 3jyh n ARG 426 Ca -0.03 -0.49 -0.13 0.00 -1.93 0.00 0.00 57.85 55.27 3jyh n ARG 426 Cb 0.50 -0.99 -0.12 0.00 -1.16 0.00 0.00 32.46 30.70 3jyh n ARG 426 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3jyh s ARG 427 N -1.13 0.53 0.25 5.56 1.81 -1.26 -4.88 118.95 119.83 3jyh s ARG 427 Ca 0.06 -0.73 -0.31 0.00 -1.72 0.00 0.00 55.73 53.02 3jyh s ARG 427 Cb 0.06 -0.32 -0.13 0.00 -0.45 0.00 0.00 34.95 34.12 3jyh s ARG 427 CO 0.18 0.06 1.52 0.09 -0.68 0.00 0.00 175.30 176.47 3jyh n ASN 428 N 1.54 3.30 -0.01 0.23 3.02 -1.26 -4.39 115.26 117.70 3jyh n ASN 428 Ca -0.22 1.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.54 3jyh n ASN 428 Cb 0.55 -1.50 -0.12 0.00 -0.61 0.00 0.00 39.78 38.09 3jyh n ASN 428 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3jyh n LEU 429 N 2.38 0.10 0.00 3.41 4.77 -0.05 -4.96 117.00 122.65 3jyh n LEU 429 Ca 0.11 -0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3jyh n LEU 429 Cb 0.34 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 3jyh n LEU 429 CO 0.63 0.03 0.42 -1.54 -1.33 0.00 0.00 177.39 175.60 3jyh n SER 430 N -1.96 -1.00 0.05 -1.43 3.41 -1.14 -4.90 113.62 106.65 3jyh n SER 430 Ca -0.02 -1.56 0.01 0.00 -0.26 0.00 0.00 58.87 57.04 3jyh n SER 430 Cb 0.39 1.63 0.34 0.00 -0.26 0.00 0.00 64.21 66.31 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 1.44 -0.01 7.33 0.00 -1.98 -3.25 119.26 124.79 3jyh h ALA 431 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3jyh h ALA 431 Cb 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3jyh h ALA 431 CO 0.20 0.39 -0.04 -1.13 0.00 0.00 0.00 179.25 178.67 3jyh n SER 432 N -4.29 1.62 -4.22 0.00 3.41 -1.26 -4.85 113.62 104.03 3jyh n SER 432 Ca 0.01 -1.31 -0.39 0.00 -0.26 0.00 0.00 58.87 56.91 3jyh n SER 432 Cb 0.24 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.88 3.98 -0.05 -3.33 1.01 -1.23 -1.95 120.40 117.94 3jyh s VAL 433 Ca 0.10 -1.60 0.05 0.00 0.00 0.00 0.00 61.98 60.52 3jyh s VAL 433 Cb 0.08 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3jyh s VAL 433 CO 0.14 -0.58 -0.19 -0.63 0.00 0.00 0.00 175.10 173.85 3jyh s ILE 434 N 1.35 2.67 -0.14 2.22 -1.09 -0.25 -0.87 121.20 125.09 3jyh s ILE 434 Ca 0.04 -0.86 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 3jyh s ILE 434 Cb -0.23 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.59 3jyh s ILE 434 CO 0.00 0.58 0.02 0.00 -1.23 0.00 0.00 174.94 174.31 3jyh s ALA 435 N -0.47 3.30 -0.13 9.38 0.00 -1.26 0.61 121.76 133.20 3jyh s ALA 435 Ca 0.06 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3jyh s ALA 435 Cb -0.12 -1.68 0.01 0.00 0.00 0.00 0.00 23.12 21.33 3jyh s ALA 435 CO 0.01 0.36 -0.20 0.08 0.00 0.00 0.00 175.76 176.01 3jyh s VAL 436 N -0.17 1.91 -0.19 0.00 1.01 -0.16 -4.74 120.40 118.06 3jyh s VAL 436 Ca 0.06 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3jyh s VAL 436 Cb -0.12 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3jyh s VAL 436 CO 0.02 0.52 0.04 -0.89 0.00 0.00 0.00 175.10 174.79 3jyh s THR 437 N 0.80 4.46 -0.39 3.92 2.01 -1.26 -0.32 115.64 124.85 3jyh s THR 437 Ca -0.08 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 3jyh s THR 437 Cb -0.16 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.40 3jyh s THR 437 CO -0.01 0.44 0.22 -0.63 -0.69 0.00 0.00 174.62 173.95 3jyh s ILE 438 N 0.64 4.22 0.08 1.82 1.01 0.12 -4.95 121.20 124.15 3jyh s ILE 438 Ca 0.02 -1.22 -0.31 0.00 0.00 0.00 0.00 60.65 59.14 3jyh s ILE 438 Cb -0.13 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 3jyh s ILE 438 CO 0.02 -0.38 1.28 -1.10 0.00 0.00 0.00 174.94 174.76 3jyh s GLN 439 N 1.45 4.38 -0.07 2.79 1.11 -1.26 -1.69 119.66 126.37 3jyh s GLN 439 Ca 0.02 1.89 0.00 0.00 0.01 0.00 0.00 55.36 57.28 3jyh s GLN 439 Cb -0.21 -3.32 0.00 0.00 -1.01 0.00 0.00 33.01 28.47 3jyh s GLN 439 CO 0.03 -0.34 0.00 0.41 0.01 0.00 0.00 175.29 175.40 3jyh n GLY 440 N 3.34 0.47 3.83 3.09 0.00 -1.26 -4.57 105.19 110.10 3jyh n GLY 440 Ca 0.10 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.23 2.10 0.00 -0.02 0.00 -0.68 -4.90 107.32 101.58 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 -0.35 0.00 0.00 0.00 0.00 0.00 173.10 172.75 3jyh n ALA 442 N 2.19 0.00 -2.62 3.20 0.00 -1.26 -0.61 120.51 121.41 3jyh n ALA 442 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 3jyh n ALA 442 Cb 0.54 0.00 -0.03 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 3.30 3.09 -0.95 0.00 5.65 -0.44 -3.83 115.29 122.10 3jyh s HIS 443 Ca 0.00 0.91 -0.08 0.00 0.25 0.00 0.00 55.06 56.14 3jyh s HIS 443 Cb 0.00 -3.69 0.01 0.00 -1.18 0.00 0.00 32.58 27.72 3jyh s HIS 443 CO 0.00 -0.82 0.15 -2.39 -0.65 0.00 0.00 174.74 171.03 3jyh n HIS 444 N 6.85 -0.86 -0.18 3.88 -0.00 -1.26 -4.86 115.22 118.78 3jyh n HIS 444 Ca 0.09 0.28 0.08 0.00 -0.00 0.00 0.00 57.72 58.16 3jyh n HIS 444 Cb 0.48 -1.84 0.37 0.00 -0.00 0.00 0.00 29.99 29.00 3jyh n HIS 444 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3jyh h LEU 445 N -0.81 0.63 -2.00 2.39 5.85 -1.94 -2.83 115.31 116.60 3jyh h LEU 445 Ca -0.45 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.39 3jyh h LEU 445 Cb 0.93 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3jyh h LEU 445 CO 0.43 0.39 0.27 -2.24 -0.34 0.00 0.00 178.44 176.95 3jyh h ASP 446 N 0.71 0.00 0.90 1.25 2.03 -1.93 -2.24 116.42 117.14 3jyh h ASP 446 Ca 0.32 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.51 3jyh h ASP 446 Cb 0.35 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 3jyh h ASP 446 CO -0.11 0.00 -0.57 -0.07 -1.03 0.00 0.00 179.24 177.46 3jyh h LEU 447 N 0.00 0.00-10.15 0.15 3.38 -1.85 -3.44 115.31 103.40 3jyh h LEU 447 Ca 0.18 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.61 3jyh h LEU 447 Cb 0.72 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.61 3jyh h LEU 447 CO -0.00 0.57 0.43 -0.13 0.09 0.00 0.00 178.44 179.40 3jyh s ARG 448 N -3.36 2.47 0.55 1.13 0.52 -0.84 -0.78 118.95 118.63 3jyh s ARG 448 Ca 0.00 1.79 -0.22 0.00 -0.52 0.00 0.00 55.73 56.79 3jyh s ARG 448 Cb 0.11 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.66 3jyh s ARG 448 CO 0.74 -1.59 1.35 0.00 0.02 0.00 0.00 175.30 175.82 3jyh s ALA 449 N -1.82 2.80 0.24 2.13 0.00 -1.26 -3.46 121.76 120.38 3jyh s ALA 449 Ca 0.76 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.74 3jyh s ALA 449 Cb -0.30 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.11 3jyh s ALA 449 CO 0.41 -1.37 1.10 0.43 0.00 0.00 0.00 175.76 176.33 3jyh n SER 450 N -1.07 1.42 -3.88 0.00 7.64 -1.26 -4.88 113.62 111.60 3jyh n SER 450 Ca 0.11 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 61.02 3jyh n SER 450 Cb 0.45 -1.27 -0.14 0.00 -1.01 0.00 0.00 64.21 62.24 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 -0.61 0.04 0.47 1.43 5.04 -1.26 -5.03 115.29 115.37 3jyh s HIS 451 Ca 0.65 -0.01 0.26 0.00 -1.54 0.00 0.00 55.06 54.42 3jyh s HIS 451 Cb -0.76 -0.02 1.30 0.00 0.04 0.00 0.00 32.58 33.14 3jyh s HIS 451 CO 0.56 -0.00 1.84 -1.35 -2.34 0.00 0.00 174.74 173.44 3jyh h PRO 452 N 6.13 0.20 -0.06 2.88 0.11 -2.02 -0.69 132.00 138.55 3jyh h PRO 452 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jyh h PRO 452 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3jyh h PRO 452 CO 0.51 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 3jyh n GLU 453 N -4.40 1.49 -1.65 1.05 -0.58 -1.26 -4.94 120.64 110.34 3jyh n GLU 453 Ca 0.22 -0.72 -0.45 0.00 -0.42 0.00 0.00 57.16 55.79 3jyh n GLU 453 Cb 0.93 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 30.34 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 -0.10 2.35 -4.78 1.62 8.00 -0.27 -4.84 116.55 118.53 3jyh n ASP 454 Ca 0.18 1.17 -0.34 0.00 0.71 0.00 0.00 54.79 56.51 3jyh n ASP 454 Cb 0.27 -1.40 0.01 0.00 -0.02 0.00 0.00 41.12 39.98 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 -1.02 3.26 0.28 -0.24 0.04 -1.26 -4.92 135.00 131.13 3jyh s PRO 455 Ca 0.63 1.49 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 3jyh s PRO 455 Cb -0.66 -2.00 0.61 0.00 0.04 0.00 0.00 34.50 32.49 3jyh s PRO 455 CO 0.55 -0.90 1.63 0.00 0.04 0.00 0.00 177.00 178.32 3jyh h ALA 456 N 0.86 1.07 -0.54 8.56 0.00 -1.93 -1.67 119.26 125.61 3jyh h ALA 456 Ca -0.49 0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3jyh h ALA 456 Cb 1.25 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 3jyh h ALA 456 CO 0.56 -0.47 0.36 1.03 0.00 0.00 0.00 179.25 180.73 3jyh h SER 457 N 0.13 0.58 0.79 0.00 0.87 -1.92 -0.71 113.55 113.29 3jyh h SER 457 Ca 0.51 -0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.87 3jyh h SER 457 Cb 0.99 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 3jyh h SER 457 CO -0.71 0.41 -0.87 1.62 -0.53 0.00 0.00 176.83 176.74 3jyh h VAL 458 N 0.68 1.59 -0.23 2.23 3.04 -1.56 0.03 116.25 122.03 3jyh h VAL 458 Ca 0.21 -2.87 -0.00 0.00 -1.01 0.00 0.00 66.70 63.02 3jyh h VAL 458 Cb -0.00 2.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 3jyh h VAL 458 CO -0.05 0.82 0.13 0.58 -1.01 0.00 0.00 177.57 178.04 3jyh h VAL 459 N 0.02 1.11 -0.71 1.51 2.07 -1.15 -0.36 116.25 118.74 3jyh h VAL 459 Ca -0.02 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3jyh h VAL 459 Cb 1.53 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3jyh h VAL 459 CO 0.12 0.11 0.32 -0.33 0.02 0.00 0.00 177.57 177.80 3jyh h GLU 460 N 0.26 1.05 -0.34 1.57 5.08 -1.14 -2.28 114.58 118.79 3jyh h GLU 460 Ca 0.08 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3jyh h GLU 460 Cb 0.06 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3jyh h GLU 460 CO -0.01 0.84 0.21 0.00 -1.00 0.00 0.00 179.01 179.05 3jyh h ALA 461 N 1.15 0.43 -0.28 3.43 0.00 -0.62 -1.85 119.26 121.51 3jyh h ALA 461 Ca 0.24 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3jyh h ALA 461 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3jyh h ALA 461 CO -0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.00 3jyh h ARG 462 N 0.44 0.49 -0.48 0.00 3.08 -0.95 -0.41 114.38 116.55 3jyh h ARG 462 Ca 0.12 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3jyh h ARG 462 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3jyh h ARG 462 CO -0.02 0.61 0.17 0.87 -1.07 0.00 0.00 179.97 180.54 3jyh h LYS 463 N 0.45 0.72 0.13 0.04 6.56 -1.13 0.09 116.57 123.43 3jyh h LYS 463 Ca 0.08 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 3jyh h LYS 463 Cb 0.50 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3jyh h LYS 463 CO 0.03 0.67 -0.06 1.25 -2.06 0.00 0.00 179.45 179.27 3jyh h LEU 464 N 0.63 -0.15 -0.10 2.94 5.85 -1.04 -2.07 115.31 121.37 3jyh h LEU 464 Ca 0.16 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3jyh h LEU 464 Cb 0.22 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3jyh h LEU 464 CO -0.01 -0.02 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.62 3jyh h GLU 465 N -0.27 -0.15 -0.80 1.25 5.08 -1.00 -0.96 114.58 117.73 3jyh h GLU 465 Ca -0.02 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 3jyh h GLU 465 Cb 0.21 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 3jyh h GLU 465 CO 0.03 -0.10 0.36 0.00 -1.00 0.00 0.00 179.01 178.30 3jyh h ALA 466 N 0.90 1.17 0.02 3.43 0.00 -0.98 -0.72 119.26 123.08 3jyh h ALA 466 Ca 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3jyh h ALA 466 Cb 0.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3jyh h ALA 466 CO -0.20 -0.16 -0.01 1.15 0.00 0.00 0.00 179.25 180.03 3jyh h THR 467 N 0.52 1.21 -0.49 0.00 2.02 -0.98 -1.43 112.91 113.75 3jyh h THR 467 Ca 0.44 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 3jyh h THR 467 Cb 0.65 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 3jyh h THR 467 CO -0.39 0.18 0.23 0.40 0.37 0.00 0.00 175.52 176.31 3jyh h ILE 468 N -0.32 1.19 -0.76 3.11 2.04 -0.89 -1.81 117.51 120.07 3jyh h ILE 468 Ca -0.00 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3jyh h ILE 468 Cb 0.31 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3jyh h ILE 468 CO 0.00 0.22 0.47 0.40 0.00 0.00 0.00 178.15 179.24 3jyh h ILE 469 N 0.65 1.21 -0.51 -0.67 2.04 -1.14 -1.24 117.51 117.85 3jyh h ILE 469 Ca 0.17 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.66 3jyh h ILE 469 Cb 0.13 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.28 3jyh h ILE 469 CO -0.02 0.22 0.11 1.23 0.00 0.00 0.00 178.15 179.69 3jyh h GLY 470 N 1.04 0.63 1.44 5.37 0.00 -0.99 -1.22 103.07 109.34 3jyh h GLY 470 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 3jyh h GLY 470 CO -0.05 -0.06 0.20 0.83 0.00 0.00 0.00 176.54 177.45 3jyh h GLU 471 N 0.25 0.72 -0.35 4.80 3.07 -0.73 -0.97 114.58 121.38 3jyh h GLU 471 Ca 0.25 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 3jyh h GLU 471 Cb 0.34 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3jyh h GLU 471 CO -0.32 0.60 -0.16 -1.49 -1.40 0.00 0.00 179.01 176.24 3jyh h TRP 472 N 0.72 0.83 -0.09 4.33 6.55 -0.66 -0.01 115.95 127.61 3jyh h TRP 472 Ca 0.17 -0.20 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 3jyh h TRP 472 Cb 0.15 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.25 3jyh h TRP 472 CO 0.01 0.92 0.04 0.28 -1.05 0.00 0.00 178.44 178.64 3jyh h VAL 473 N 0.50 1.12 -0.58 1.49 2.07 -0.98 -1.57 116.25 118.30 3jyh h VAL 473 Ca 0.08 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3jyh h VAL 473 Cb 0.70 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3jyh h VAL 473 CO 0.05 0.11 0.37 0.11 0.02 0.00 0.00 177.57 178.23 3jyh h LYS 474 N 0.02 0.73 -0.37 1.57 6.56 -1.12 -1.87 116.57 122.09 3jyh h LYS 474 Ca 0.03 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 3jyh h LYS 474 Cb 0.13 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 3jyh h LYS 474 CO -0.00 0.49 -0.08 0.00 -2.06 0.00 0.00 179.45 177.79 3jyh h ALA 475 N 1.23 1.16 -0.29 3.86 0.00 -0.93 -0.68 119.26 123.60 3jyh h ALA 475 Ca 0.22 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3jyh h ALA 475 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3jyh h ALA 475 CO -0.06 0.53 -0.42 0.00 0.00 0.00 0.00 179.25 179.30 3jyh h ALA 476 N 1.33 0.70 0.29 0.00 0.00 -0.93 -0.81 119.26 119.83 3jyh h ALA 476 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3jyh h ALA 476 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3jyh h ALA 476 CO 0.03 0.67 -0.14 0.00 0.00 0.00 0.00 179.25 179.81 3jyh h ARG 477 N 0.59 -0.37 -0.11 0.00 3.08 -1.10 -3.22 114.38 113.25 3jyh h ARG 477 Ca 0.04 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3jyh h ARG 477 Cb 0.97 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3jyh h ARG 477 CO 0.09 -0.09 0.04 0.00 -1.07 0.00 0.00 179.97 178.93 3jyh h ARG 478 N -0.63 0.14 -0.01 0.04 2.47 -1.11 -3.52 114.38 111.77 3jyh h ARG 478 Ca -0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3jyh h ARG 478 Cb 0.45 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3jyh h ARG 478 CO 0.06 0.13 0.00 -0.85 0.56 0.00 0.00 179.97 179.87