#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y3g s THR 2 N 0.00 5.34 0.00 7.28 2.01 -1.26 -5.02 115.64 123.99 1y3g s THR 2 Ca 0.00 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1y3g s THR 2 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1y3g s THR 2 CO 0.00 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 1y3g n GLY 3 N 3.84 1.29 3.72 4.40 0.00 -1.26 -4.75 105.19 112.43 1y3g n GLY 3 Ca -0.14 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1y3g n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y3g s THR 4 N -2.28 5.38 0.17 2.61 2.01 -0.09 -4.82 115.64 118.63 1y3g s THR 4 Ca 0.00 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1y3g s THR 4 Cb 0.00 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 68.92 1y3g s THR 4 CO 0.00 0.42 1.28 -0.44 -0.69 0.00 0.00 174.62 175.19 1y3g s SER 5 N 0.46 6.95 0.15 3.53 0.01 -1.26 0.92 113.70 124.45 1y3g s SER 5 Ca 0.10 2.31 -0.01 0.00 1.31 0.00 0.00 55.95 59.66 1y3g s SER 5 Cb -0.12 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.51 1y3g s SER 5 CO -0.00 -0.50 0.20 1.07 0.41 0.00 0.00 173.24 174.42 1y3g n THR 6 N 2.89 0.00 -4.34 1.44 5.66 -0.26 -4.90 114.28 114.78 1y3g n THR 6 Ca 0.07 -0.75 -0.24 0.00 -3.05 0.00 0.00 64.05 60.08 1y3g n THR 6 Cb 0.43 0.46 -0.17 0.00 -1.55 0.00 0.00 70.33 69.51 1y3g n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1y3g s VAL 7 N -2.59 0.93 0.53 1.08 1.01 -1.26 -1.18 120.40 118.92 1y3g s VAL 7 Ca 0.12 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1y3g s VAL 7 Cb -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.52 1y3g s VAL 7 CO 0.09 0.32 0.41 -0.83 0.00 0.00 0.00 175.10 175.08 1y3g s GLY 8 N 0.93 2.33 0.01 4.51 0.00 0.15 -4.92 107.32 110.33 1y3g s GLY 8 Ca -0.10 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1y3g s GLY 8 CO 0.01 -1.91 -0.06 0.54 0.00 0.00 0.00 173.10 171.67 1y3g s VAL 9 N -2.74 0.46 0.28 1.40 0.11 -1.09 -0.50 120.40 118.32 1y3g s VAL 9 Ca 0.36 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 58.86 1y3g s VAL 9 Cb -0.02 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1y3g s VAL 9 CO 0.22 -0.01 0.54 0.61 -3.33 0.00 0.00 175.10 173.13 1y3g n GLY 10 N 2.55 1.43 3.34 6.54 0.00 -0.48 -0.59 105.19 117.98 1y3g n GLY 10 Ca -0.15 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 1y3g n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y3g s ARG 11 N -2.15 2.86 0.87 1.61 3.52 -0.68 -0.76 118.95 124.22 1y3g s ARG 11 Ca 0.13 -0.79 -0.10 0.00 -0.13 0.00 0.00 55.73 54.84 1y3g s ARG 11 Cb -0.03 -2.37 0.18 0.00 -1.56 0.00 0.00 34.95 31.17 1y3g s ARG 11 CO 0.10 0.36 1.20 0.20 -0.81 0.00 0.00 175.30 176.34 1y3g s GLY 12 N -0.07 1.78 0.33 8.12 0.00 0.13 -4.11 107.32 113.49 1y3g s GLY 12 Ca -0.05 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.28 1y3g s GLY 12 CO 0.04 -0.77 1.78 -2.08 0.00 0.00 0.00 173.10 172.06 1y3g h VAL 13 N -1.21 0.66 -0.20 1.40 2.07 -1.89 0.14 116.25 117.22 1y3g h VAL 13 Ca -0.40 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1y3g h VAL 13 Cb 1.24 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1y3g h VAL 13 CO 0.37 0.12 0.00 0.18 0.02 0.00 0.00 177.57 178.26 1y3g n LEU 14 N -4.75 1.34 0.00 2.57 4.77 -1.26 -4.88 117.00 114.79 1y3g n LEU 14 Ca 0.24 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1y3g n LEU 14 Cb 0.64 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1y3g n LEU 14 CO 0.22 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1y3g n GLY 15 N 0.98 0.65 3.81 -0.72 0.00 0.49 -5.03 105.19 105.36 1y3g n GLY 15 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1y3g n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1y3g s ASP 16 N -2.19 7.12 0.06 1.61 -4.77 -1.26 -4.73 116.67 112.52 1y3g s ASP 16 Ca 0.00 1.60 -0.11 0.00 -3.30 0.00 0.00 52.55 50.74 1y3g s ASP 16 Cb 0.00 -2.49 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1y3g s ASP 16 CO 0.00 -0.08 0.41 -1.58 0.70 0.00 0.00 175.17 174.62 1y3g s GLN 17 N -2.26 3.81 0.14 2.11 0.74 -1.26 0.18 119.66 123.13 1y3g s GLN 17 Ca 0.49 0.26 -0.21 0.00 0.05 0.00 0.00 55.36 55.95 1y3g s GLN 17 Cb -0.16 -3.05 0.06 0.00 1.10 0.00 0.00 33.01 30.97 1y3g s GLN 17 CO 0.21 0.59 0.54 -1.59 -0.55 0.00 0.00 175.29 174.48 1y3g s LYS 18 N -1.71 1.21 0.05 1.67 0.00 0.06 -4.95 119.74 116.06 1y3g s LYS 18 Ca 0.31 -0.52 -0.11 0.00 0.00 0.00 0.00 55.97 55.65 1y3g s LYS 18 Cb -0.15 0.55 -0.06 0.00 0.00 0.00 0.00 37.83 38.18 1y3g s LYS 18 CO 0.17 -0.51 0.39 -0.80 0.00 0.00 0.00 175.35 174.60 1y3g s ASN 19 N -2.71 6.67 0.04 0.03 0.01 -1.26 -1.37 114.94 116.35 1y3g s ASN 19 Ca 0.01 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.02 1y3g s ASN 19 Cb -0.00 -2.19 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1y3g s ASN 19 CO -0.12 0.22 -0.14 0.27 -1.51 0.00 0.00 177.10 175.83 1y3g s ILE 20 N -1.30 1.06 -0.27 0.60 -4.36 0.34 -4.97 121.20 112.31 1y3g s ILE 20 Ca 0.30 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.35 1y3g s ILE 20 Cb -0.15 -0.98 0.01 0.00 1.25 0.00 0.00 42.46 42.59 1y3g s ILE 20 CO 0.16 -0.06 1.05 0.20 0.24 0.00 0.00 174.94 176.54 1y3g s ASN 21 N -1.26 7.01 0.46 4.36 0.02 -1.26 0.30 114.94 124.57 1y3g s ASN 21 Ca 0.00 1.21 0.03 0.00 -1.02 0.00 0.00 52.86 53.09 1y3g s ASN 21 Cb -0.08 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.61 1y3g s ASN 21 CO 0.01 -0.77 0.02 0.42 0.02 0.00 0.00 177.10 176.80 1y3g s THR 22 N 3.42 1.34 -0.07 1.60 -4.23 -0.32 -3.65 115.64 113.72 1y3g s THR 22 Ca 0.45 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1y3g s THR 22 Cb -0.14 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.26 1y3g s THR 22 CO 0.11 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.17 1y3g s THR 23 N -2.89 1.16 -0.26 3.99 2.01 -0.27 -1.11 115.64 118.28 1y3g s THR 23 Ca 0.18 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 1y3g s THR 23 Cb 0.05 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1y3g s THR 23 CO 0.09 0.36 0.18 -0.47 -0.69 0.00 0.00 174.62 174.10 1y3g s TYR 24 N 0.77 3.27 -0.43 4.92 5.04 0.26 -0.49 117.35 130.69 1y3g s TYR 24 Ca -0.12 0.19 0.05 0.00 -2.44 0.00 0.00 57.07 54.74 1y3g s TYR 24 Cb -0.15 -2.33 0.19 0.00 0.35 0.00 0.00 41.96 40.01 1y3g s TYR 24 CO 0.02 -0.04 0.75 0.45 -1.34 0.00 0.00 175.55 175.39 1y3g s SER 25 N 1.37 -1.28 0.00 4.32 0.15 -1.26 -0.91 113.70 116.09 1y3g s SER 25 Ca 0.08 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1y3g s SER 25 Cb -0.15 1.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 1y3g s SER 25 CO 0.07 -0.10 0.00 0.41 1.20 0.00 0.00 173.24 174.82 1y3g n THR 26 N 3.72 0.00 -3.69 6.45 -1.04 -1.26 -4.75 114.28 113.71 1y3g n THR 26 Ca 0.13 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.92 1y3g n THR 26 Cb 0.58 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.05 1y3g n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1y3g s TYR 27 N 0.00 2.72 -0.32 -1.42 2.02 -1.26 -4.99 117.35 114.10 1y3g s TYR 27 Ca 0.00 -0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 56.10 1y3g s TYR 27 Cb 0.00 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 1y3g s TYR 27 CO 0.00 -0.02 0.23 0.71 -1.57 0.00 0.00 175.55 174.90 1y3g s TYR 28 N -2.46 3.23 0.06 2.71 2.02 0.28 -4.40 117.35 118.78 1y3g s TYR 28 Ca 0.46 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.08 1y3g s TYR 28 Cb -0.03 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.04 1y3g s TYR 28 CO 0.27 -0.30 0.13 0.71 -1.57 0.00 0.00 175.55 174.78 1y3g s TYR 29 N 1.75 3.32 -1.30 2.71 2.02 0.35 0.37 117.35 126.58 1y3g s TYR 29 Ca 0.07 0.16 -0.17 0.00 -0.37 0.00 0.00 57.07 56.75 1y3g s TYR 29 Cb -0.17 -1.69 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1y3g s TYR 29 CO 0.11 0.55 1.98 1.28 -1.57 0.00 0.00 175.55 177.90 1y3g n LEU 30 N 0.51 5.47 -3.71 -1.29 4.77 -0.21 -1.11 117.00 121.44 1y3g n LEU 30 Ca -0.08 -3.83 -0.27 0.00 -0.03 0.00 0.00 56.01 51.80 1y3g n LEU 30 Cb 0.52 -1.64 -0.17 0.00 -2.33 0.00 0.00 43.42 39.80 1y3g n LEU 30 CO 0.46 0.31 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.89 1y3g s GLN 31 N 4.10 0.55 -0.45 3.23 0.74 -1.25 -2.27 119.66 124.30 1y3g s GLN 31 Ca 0.53 -0.38 -0.18 0.00 0.05 0.00 0.00 55.36 55.38 1y3g s GLN 31 Cb 0.09 -2.06 0.03 0.00 1.10 0.00 0.00 33.01 32.18 1y3g s GLN 31 CO 0.02 -0.66 0.53 0.34 -0.55 0.00 0.00 175.29 174.97 1y3g s ASP 32 N 1.90 6.23 0.00 6.67 -1.08 -0.03 -3.14 116.67 127.22 1y3g s ASP 32 Ca -0.00 -0.70 0.27 0.00 -0.52 0.00 0.00 52.55 51.60 1y3g s ASP 32 Cb -0.17 -2.26 0.88 0.00 -1.46 0.00 0.00 42.92 39.91 1y3g s ASP 32 CO -0.09 -0.71 1.64 0.59 0.52 0.00 0.00 175.17 177.13 1y3g n ASN 33 N 5.87 0.81 0.08 -0.34 5.03 -1.26 -1.53 115.26 123.92 1y3g n ASN 33 Ca -0.06 -0.73 0.13 0.00 0.87 0.00 0.00 54.58 54.79 1y3g n ASN 33 Cb 0.47 0.07 0.46 0.00 -1.02 0.00 0.00 39.78 39.76 1y3g n ASN 33 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1y3g n THR 34 N -0.81 0.53 -4.08 3.41 -2.24 -1.26 -4.71 114.28 105.12 1y3g n THR 34 Ca 0.12 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.45 1y3g n THR 34 Cb 0.33 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 1y3g n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1y3g s ARG 35 N -3.11 2.44 3.03 -0.78 0.52 -1.26 -5.04 118.95 114.77 1y3g s ARG 35 Ca 0.10 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 1y3g s ARG 35 Cb 0.13 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.85 1y3g s ARG 35 CO 0.54 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.82 1y3g n GLY 36 N 4.51 2.81 0.40 -3.53 0.00 -1.26 -0.09 105.19 108.03 1y3g n GLY 36 Ca -0.16 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.82 1y3g n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y3g n ASN 37 N 2.03 1.16 0.00 1.61 3.02 -0.87 -4.98 115.26 117.22 1y3g n ASN 37 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 1y3g n ASN 37 Cb 0.00 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1y3g n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y3g n GLY 38 N 0.80 2.73 3.11 7.41 0.00 0.87 -4.65 105.19 115.46 1y3g n GLY 38 Ca 0.07 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 1y3g n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3g s ILE 39 N -2.77 2.00 -0.14 -0.61 1.01 -0.59 -1.18 121.20 118.94 1y3g s ILE 39 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1y3g s ILE 39 Cb 0.00 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1y3g s ILE 39 CO 0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 174.94 174.95 1y3g s PHE 40 N 1.30 2.75 -0.12 3.97 0.40 0.70 -0.85 117.98 126.12 1y3g s PHE 40 Ca 0.05 -0.92 0.01 0.00 -0.60 0.00 0.00 56.93 55.47 1y3g s PHE 40 Cb -0.13 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1y3g s PHE 40 CO -0.12 -0.38 -0.16 0.99 0.70 0.00 0.00 175.22 176.24 1y3g s THR 41 N 0.58 2.77 0.24 0.64 2.01 -0.96 -1.13 115.64 119.78 1y3g s THR 41 Ca -0.10 -0.76 0.11 0.00 0.31 0.00 0.00 61.69 61.24 1y3g s THR 41 Cb -0.16 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1y3g s THR 41 CO 0.03 0.53 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.06 1y3g s TYR 42 N 0.37 2.48 -0.30 4.92 1.51 0.11 -1.07 117.35 125.36 1y3g s TYR 42 Ca -0.13 -0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 1y3g s TYR 42 Cb -0.16 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.53 1y3g s TYR 42 CO 0.06 0.61 0.16 0.34 -1.11 0.00 0.00 175.55 175.61 1y3g s ASP 43 N -3.24 5.63 0.00 2.29 2.15 -0.08 -1.32 116.67 122.10 1y3g s ASP 43 Ca 0.27 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 53.12 1y3g s ASP 43 Cb -0.07 -2.03 1.05 0.00 -0.30 0.00 0.00 42.92 41.58 1y3g s ASP 43 CO 0.15 -0.16 1.75 0.00 -0.17 0.00 0.00 175.17 176.74 1y3g n ALA 44 N 5.00 2.85 -4.13 3.66 0.00 -0.02 -2.02 120.51 125.86 1y3g n ALA 44 Ca -0.14 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 1y3g n ALA 44 Cb 0.50 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1y3g n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1y3g n LYS 45 N -0.67 -3.68 -0.87 0.00 5.02 -1.23 -0.49 118.16 116.23 1y3g n LYS 45 Ca 0.15 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1y3g n LYS 45 Cb 0.31 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 1y3g n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1y3g n TYR 46 N -4.45 0.00 -2.92 2.13 4.01 0.12 -4.96 117.16 111.09 1y3g n TYR 46 Ca 0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 1y3g n TYR 46 Cb 0.52 -0.80 0.07 0.00 -0.31 0.00 0.00 39.34 38.83 1y3g n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1y3g s ARG 47 N -0.67 2.13 0.00 -0.72 1.81 0.35 -3.51 118.95 118.35 1y3g s ARG 47 Ca 0.00 -1.52 0.07 0.00 -1.72 0.00 0.00 55.73 52.56 1y3g s ARG 47 Cb 0.00 -2.57 0.16 0.00 -0.45 0.00 0.00 34.95 32.09 1y3g s ARG 47 CO 0.00 -1.02 1.05 0.25 -0.68 0.00 0.00 175.30 174.90 1y3g n THR 48 N -2.40 0.73 -3.06 0.02 -2.24 -1.26 -0.99 114.28 105.08 1y3g n THR 48 Ca 0.16 -0.87 -0.40 0.00 -2.27 0.00 0.00 64.05 60.68 1y3g n THR 48 Cb 0.61 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1y3g n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1y3g s THR 49 N -0.89 5.01 0.12 4.28 -4.23 -1.26 -5.03 115.64 113.64 1y3g s THR 49 Ca 0.13 1.44 0.08 0.00 -1.18 0.00 0.00 61.69 62.15 1y3g s THR 49 Cb 0.07 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1y3g s THR 49 CO 0.10 0.28 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.60 1y3g s LEU 50 N 0.63 3.01 0.00 4.79 1.43 -1.26 -3.62 118.68 123.66 1y3g s LEU 50 Ca 0.37 -0.43 0.26 0.00 -1.03 0.00 0.00 54.13 53.29 1y3g s LEU 50 Cb -0.18 -1.79 0.69 0.00 0.03 0.00 0.00 46.19 44.94 1y3g s LEU 50 CO 0.18 0.16 1.53 -0.81 0.23 0.00 0.00 176.35 177.65 1y3g n PRO 51 N 0.56 0.40 0.00 1.29 -0.04 -1.26 -5.10 135.00 130.84 1y3g n PRO 51 Ca -0.13 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1y3g n PRO 51 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1y3g n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y3g n GLY 52 N 1.42 0.13 3.38 0.55 0.00 -1.24 -4.36 105.19 105.06 1y3g n GLY 52 Ca 0.09 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1y3g n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y3g s SER 53 N -4.00 3.68 0.08 1.61 1.04 -0.85 -4.88 113.70 110.37 1y3g s SER 53 Ca 0.00 -0.34 -0.37 0.00 0.48 0.00 0.00 55.95 55.72 1y3g s SER 53 Cb 0.00 -1.02 -0.17 0.00 0.10 0.00 0.00 66.02 64.94 1y3g s SER 53 CO 0.00 0.27 1.36 -0.11 0.98 0.00 0.00 173.24 175.74 1y3g n LEU 54 N 2.83 1.74 -4.64 2.42 7.94 -1.26 -0.90 117.00 125.12 1y3g n LEU 54 Ca -0.17 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.42 1y3g n LEU 54 Cb 0.52 -1.20 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 1y3g n LEU 54 CO 0.27 -0.99 1.67 0.86 -1.11 0.00 0.00 177.39 178.09 1y3g s TRP 55 N 0.58 1.24 -0.09 1.96 -0.11 -0.23 -4.80 118.94 117.50 1y3g s TRP 55 Ca 0.84 -0.18 0.02 0.00 1.22 0.00 0.00 56.10 58.01 1y3g s TRP 55 Cb -0.94 -4.16 -0.02 0.00 -1.50 0.00 0.00 33.47 26.85 1y3g s TRP 55 CO 0.47 -5.15 -0.15 0.00 -4.62 0.00 0.00 176.95 167.50 1y3g s ALA 56 N 5.57 2.60 0.02 5.86 0.00 -1.26 -1.05 121.76 133.50 1y3g s ALA 56 Ca 0.92 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1y3g s ALA 56 Cb -0.40 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 1y3g s ALA 56 CO 0.40 0.40 -0.10 0.34 0.00 0.00 0.00 175.76 176.80 1y3g s ASP 57 N -0.18 1.15 0.10 0.00 2.15 0.16 -4.94 116.67 115.11 1y3g s ASP 57 Ca -0.00 -0.36 0.04 0.00 0.43 0.00 0.00 52.55 52.66 1y3g s ASP 57 Cb -0.13 -0.07 -0.23 0.00 -0.30 0.00 0.00 42.92 42.19 1y3g s ASP 57 CO 0.03 -0.01 1.20 0.00 -0.17 0.00 0.00 175.17 176.23 1y3g h ALA 58 N 5.22 0.31 0.00 3.66 0.00 -1.93 0.81 119.26 127.32 1y3g h ALA 58 Ca -0.34 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1y3g h ALA 58 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1y3g h ALA 58 CO 0.45 1.20 0.00 -0.40 0.00 0.00 0.00 179.25 180.50 1y3g n ASP 59 N -3.38 1.32 -0.16 0.00 5.68 -1.26 -4.70 116.55 114.05 1y3g n ASP 59 Ca -0.03 -1.35 -0.02 0.00 -0.50 0.00 0.00 54.79 52.88 1y3g n ASP 59 Cb 0.97 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.94 1y3g n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1y3g n ASN 60 N -0.18 -4.12 -4.24 -1.12 5.15 -1.26 -4.99 115.26 104.50 1y3g n ASN 60 Ca 0.00 0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 53.70 1y3g n ASN 60 Cb 0.10 -1.80 -0.15 0.00 -0.53 0.00 0.00 39.78 37.39 1y3g n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1y3g s GLN 61 N -1.26 3.18 -0.74 1.20 -0.21 -1.26 -2.67 119.66 117.90 1y3g s GLN 61 Ca 0.00 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 54.66 1y3g s GLN 61 Cb 0.00 -2.65 0.26 0.00 1.00 0.00 0.00 33.01 31.63 1y3g s GLN 61 CO 0.00 -0.05 0.93 1.19 -2.12 0.00 0.00 175.29 175.23 1y3g n PHE 62 N 4.25 3.33 0.65 0.91 3.01 0.24 -4.79 117.46 125.06 1y3g n PHE 62 Ca -0.19 -3.78 0.08 0.00 1.01 0.00 0.00 57.45 54.56 1y3g n PHE 62 Cb 0.51 -0.72 0.06 0.00 -0.01 0.00 0.00 39.48 39.33 1y3g n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y3g n PHE 63 N 0.93 0.00 -2.48 1.38 3.72 -1.26 -1.69 117.46 118.06 1y3g n PHE 63 Ca 0.29 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.34 1y3g n PHE 63 Cb 0.39 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 1y3g n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y3g s ALA 64 N -1.31 2.95 0.26 4.37 0.00 -1.26 -4.88 121.76 121.89 1y3g s ALA 64 Ca 0.18 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.82 1y3g s ALA 64 Cb 0.13 -3.29 0.38 0.00 0.00 0.00 0.00 23.12 20.34 1y3g s ALA 64 CO 0.20 -0.37 1.87 0.66 0.00 0.00 0.00 175.76 178.12 1y3g h SER 65 N 1.95 0.98 0.02 0.00 4.64 -1.96 0.14 113.55 119.31 1y3g h SER 65 Ca -0.49 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1y3g h SER 65 Cb 1.23 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1y3g h SER 65 CO 0.60 0.62 -0.01 0.22 -0.87 0.00 0.00 176.83 177.39 1y3g h TYR 66 N 1.11 0.00 0.00 4.77 3.20 -2.00 -2.73 116.97 121.33 1y3g h TYR 66 Ca 0.42 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 62.07 1y3g h TYR 66 Cb 0.17 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1y3g h TYR 66 CO -0.01 0.01 -0.91 -0.44 -1.64 0.00 0.00 178.16 175.17 1y3g h ASP 67 N 0.00 0.38 -0.86 -2.11 3.32 -1.32 -3.40 116.42 112.43 1y3g h ASP 67 Ca -0.00 -0.31 0.10 0.00 0.02 0.00 0.00 57.03 56.85 1y3g h ASP 67 Cb 0.03 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 39.34 1y3g h ASP 67 CO 0.00 1.11 -0.42 0.00 -1.72 0.00 0.00 179.24 178.21 1y3g n ALA 68 N -2.50 -0.33 -0.07 3.45 0.00 -1.03 -0.47 120.51 119.56 1y3g n ALA 68 Ca -0.05 0.79 0.02 0.00 0.00 0.00 0.00 53.44 54.20 1y3g n ALA 68 Cb 0.82 -0.25 0.33 0.00 0.00 0.00 0.00 19.45 20.36 1y3g n ALA 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1y3g h PRO 69 N 0.00 0.68 -0.37 0.00 0.11 -1.79 -1.95 132.00 128.67 1y3g h PRO 69 Ca 0.22 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1y3g h PRO 69 Cb 0.43 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1y3g h PRO 69 CO -0.83 0.50 -0.22 0.00 -0.21 0.00 0.00 178.00 177.24 1y3g h ALA 70 N 1.61 0.53 -0.18 -0.75 0.00 -1.03 -0.83 119.26 118.61 1y3g h ALA 70 Ca 0.18 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.76 1y3g h ALA 70 Cb 0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1y3g h ALA 70 CO -0.03 0.50 -0.13 0.28 0.00 0.00 0.00 179.25 179.87 1y3g h VAL 71 N 0.60 0.62 -0.26 0.00 2.07 -0.70 -1.06 116.25 117.53 1y3g h VAL 71 Ca 0.08 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1y3g h VAL 71 Cb 0.78 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1y3g h VAL 71 CO 0.06 0.00 -0.02 0.44 0.02 0.00 0.00 177.57 178.08 1y3g h ASP 72 N -0.13 0.47 -0.65 0.57 3.32 -1.27 0.29 116.42 119.01 1y3g h ASP 72 Ca 0.11 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1y3g h ASP 72 Cb 0.29 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1y3g h ASP 72 CO -0.26 0.68 0.40 0.00 -1.72 0.00 0.00 179.24 178.34 1y3g h ALA 73 N 0.80 0.85 0.04 3.45 0.00 -1.00 0.31 119.26 123.72 1y3g h ALA 73 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y3g h ALA 73 Cb 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y3g h ALA 73 CO 0.02 0.16 -0.02 1.25 0.00 0.00 0.00 179.25 180.66 1y3g h HIS 74 N 0.79 -0.05 0.00 0.00 -0.00 -1.11 -2.30 115.15 112.48 1y3g h HIS 74 Ca 0.26 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1y3g h HIS 74 Cb 0.03 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1y3g h HIS 74 CO -0.05 0.21 -0.00 -0.92 -0.00 0.00 0.00 177.93 177.17 1y3g h TYR 75 N -0.31 -0.01 -0.06 5.26 3.20 -0.69 -2.86 116.97 121.50 1y3g h TYR 75 Ca -0.01 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1y3g h TYR 75 Cb 0.28 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1y3g h TYR 75 CO 0.01 0.19 -0.23 1.88 -1.64 0.00 0.00 178.16 178.38 1y3g h TYR 76 N -0.20 0.11 -0.53 -3.82 0.05 -0.45 -2.12 116.97 110.00 1y3g h TYR 76 Ca -0.00 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1y3g h TYR 76 Cb 0.20 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1y3g h TYR 76 CO -0.01 0.32 0.29 0.00 -1.05 0.00 0.00 178.16 177.72 1y3g h ALA 77 N 1.68 0.68 -0.39 3.88 0.00 -1.34 -0.93 119.26 122.84 1y3g h ALA 77 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1y3g h ALA 77 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y3g h ALA 77 CO 0.03 0.20 0.23 0.78 0.00 0.00 0.00 179.25 180.50 1y3g h GLY 78 N 0.71 0.54 0.93 0.00 0.00 -1.17 -0.15 103.07 103.93 1y3g h GLY 78 Ca 0.19 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1y3g h GLY 78 CO -0.03 0.16 0.45 -2.08 0.00 0.00 0.00 176.54 175.04 1y3g h VAL 79 N 0.47 1.13 -0.64 4.60 2.07 -1.17 -0.49 116.25 122.22 1y3g h VAL 79 Ca 0.15 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1y3g h VAL 79 Cb -0.01 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.89 1y3g h VAL 79 CO -0.06 0.16 0.24 0.74 0.02 0.00 0.00 177.57 178.67 1y3g h THR 80 N 0.90 1.24 -0.64 2.57 2.02 -0.79 -1.09 112.91 117.12 1y3g h THR 80 Ca 0.27 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1y3g h THR 80 Cb -0.03 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1y3g h THR 80 CO -0.09 0.30 0.43 0.22 0.37 0.00 0.00 175.52 176.75 1y3g h TYR 81 N 0.91 0.81 -0.57 3.16 5.03 -0.40 -2.21 116.97 123.70 1y3g h TYR 81 Ca 0.21 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.53 1y3g h TYR 81 Cb 0.23 -0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 1y3g h TYR 81 CO 0.02 0.51 0.31 -0.44 -1.32 0.00 0.00 178.16 177.23 1y3g h ASP 82 N 0.87 0.71 0.05 -2.11 3.32 -0.79 -1.12 116.42 117.34 1y3g h ASP 82 Ca 0.24 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.22 1y3g h ASP 82 Cb -0.10 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1y3g h ASP 82 CO -0.05 0.60 -0.27 0.22 -1.72 0.00 0.00 179.24 178.02 1y3g h TYR 83 N 0.76 -0.72 -0.75 4.55 3.20 -0.75 0.48 116.97 123.75 1y3g h TYR 83 Ca 0.20 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1y3g h TYR 83 Cb 0.05 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 1y3g h TYR 83 CO -0.01 -0.36 0.44 1.88 -1.64 0.00 0.00 178.16 178.47 1y3g h TYR 84 N -0.44 0.99 0.18 -3.82 0.05 -1.19 0.21 116.97 112.95 1y3g h TYR 84 Ca 0.05 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1y3g h TYR 84 Cb 0.50 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1y3g h TYR 84 CO -0.28 0.67 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.20 1y3g h LYS 85 N 1.04 -0.23 -0.28 4.88 3.64 -0.75 0.18 116.57 125.04 1y3g h LYS 85 Ca 0.27 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.53 1y3g h LYS 85 Cb -0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1y3g h LYS 85 CO -0.05 0.19 -0.38 -0.91 -2.27 0.00 0.00 179.45 176.03 1y3g h ASN 86 N -0.80 0.70 0.05 4.20 -0.26 0.06 -1.69 115.58 117.83 1y3g h ASN 86 Ca -0.02 -0.30 -0.31 0.00 -0.56 0.00 0.00 56.30 55.10 1y3g h ASN 86 Cb 0.52 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.56 1y3g h ASN 86 CO 0.04 1.00 -1.69 0.52 -1.06 0.00 0.00 177.43 176.24 1y3g n VAL 87 N -4.04 1.64 0.53 2.81 0.31 0.74 -4.55 118.33 115.75 1y3g n VAL 87 Ca -0.02 -0.33 0.06 0.00 -0.01 0.00 0.00 64.34 64.05 1y3g n VAL 87 Cb 0.51 -1.88 0.04 0.00 -0.91 0.00 0.00 33.84 31.60 1y3g n VAL 87 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1y3g n HIS 88 N -3.99 0.00 -2.79 3.52 8.25 -0.72 -4.97 115.22 114.53 1y3g n HIS 88 Ca -0.34 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 56.95 1y3g n HIS 88 Cb 0.86 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.99 1y3g n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1y3g n ASN 89 N 0.50 -4.94 -4.55 0.41 2.85 -0.46 -4.96 115.26 104.10 1y3g n ASN 89 Ca 0.07 -0.20 -0.34 0.00 -0.11 0.00 0.00 54.58 54.00 1y3g n ASN 89 Cb 0.30 -3.81 -0.11 0.00 1.24 0.00 0.00 39.78 37.39 1y3g n ASN 89 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1y3g s ARG 90 N -5.35 3.57 -0.55 1.20 3.52 0.52 -4.94 118.95 116.91 1y3g s ARG 90 Ca 0.21 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 55.16 1y3g s ARG 90 Cb -0.09 -2.92 0.11 0.00 -1.56 0.00 0.00 34.95 30.49 1y3g s ARG 90 CO 0.26 0.34 0.57 -0.51 -0.81 0.00 0.00 175.30 175.15 1y3g s LEU 91 N 0.11 5.81 0.00 -0.88 1.43 -1.26 -2.48 118.68 121.41 1y3g s LEU 91 Ca 0.00 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1y3g s LEU 91 Cb -0.13 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1y3g s LEU 91 CO 0.02 -0.94 0.00 -0.24 0.23 0.00 0.00 176.35 175.43 1y3g n SER 92 N 5.67 -6.86 0.22 2.29 2.88 -1.26 -0.87 113.62 115.69 1y3g n SER 92 Ca -0.12 1.10 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 1y3g n SER 92 Cb 0.41 -3.09 0.50 0.00 -0.75 0.00 0.00 64.21 61.28 1y3g n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1y3g h TYR 93 N -0.95 0.00 -0.01 0.66 -0.00 -1.93 -2.68 116.97 112.07 1y3g h TYR 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.75 1y3g h TYR 93 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.66 1y3g h TYR 93 CO 0.00 0.26 -0.48 -0.40 -0.00 0.00 0.00 178.16 177.54 1y3g n ASP 94 N -3.62 1.41 0.00 0.10 5.75 -1.26 -4.37 116.55 114.55 1y3g n ASP 94 Ca -0.01 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1y3g n ASP 94 Cb 0.39 0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1y3g n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y3g n GLY 95 N 1.41 0.57 0.58 6.12 0.00 -0.05 -4.83 105.19 108.99 1y3g n GLY 95 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1y3g n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y3g n ASN 96 N -0.10 1.43 -2.14 1.61 5.15 -0.48 -4.37 115.26 116.37 1y3g n ASN 96 Ca 0.00 -2.90 -0.16 0.00 -0.60 0.00 0.00 54.58 50.92 1y3g n ASN 96 Cb 0.05 -0.39 0.02 0.00 -0.53 0.00 0.00 39.78 38.93 1y3g n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1y3g n ASN 97 N -0.69 -4.86 -4.71 1.20 3.02 -0.36 -4.95 115.26 103.91 1y3g n ASN 97 Ca 0.12 -0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.10 1y3g n ASN 97 Cb 0.76 -3.79 0.01 0.00 -0.61 0.00 0.00 39.78 36.16 1y3g n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y3g n ALA 98 N -2.73 1.43 -1.79 5.41 0.00 -1.26 -2.04 120.51 119.53 1y3g n ALA 98 Ca -0.11 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 1y3g n ALA 98 Cb 0.60 -2.29 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 1y3g n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y3g s ALA 99 N -1.21 3.63 -0.25 0.00 0.00 -1.26 -4.59 121.76 118.08 1y3g s ALA 99 Ca 0.62 1.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.98 1y3g s ALA 99 Cb -0.49 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 1y3g s ALA 99 CO 0.57 -0.94 0.15 0.42 0.00 0.00 0.00 175.76 175.97 1y3g s ILE 100 N -0.58 5.18 -0.03 0.00 1.01 -0.32 -5.00 121.20 121.46 1y3g s ILE 100 Ca 0.57 0.12 0.07 0.00 0.00 0.00 0.00 60.65 61.41 1y3g s ILE 100 Cb -0.45 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1y3g s ILE 100 CO 0.54 0.32 -0.25 -0.13 0.00 0.00 0.00 174.94 175.42 1y3g s ARG 101 N 1.33 2.08 0.01 2.79 0.52 -1.26 -0.21 118.95 124.21 1y3g s ARG 101 Ca 0.07 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1y3g s ARG 101 Cb -0.15 -1.96 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 1y3g s ARG 101 CO 0.07 0.50 -0.04 -1.12 0.02 0.00 0.00 175.30 174.72 1y3g s SER 102 N -0.50 0.50 -0.05 0.23 0.01 -0.28 -1.10 113.70 112.50 1y3g s SER 102 Ca 0.07 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1y3g s SER 102 Cb -0.10 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1y3g s SER 102 CO -0.00 -0.03 -0.25 -0.44 0.41 0.00 0.00 173.24 172.94 1y3g s SER 103 N -0.46 3.12 0.46 2.44 0.01 -0.27 0.05 113.70 119.04 1y3g s SER 103 Ca -0.02 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1y3g s SER 103 Cb -0.04 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1y3g s SER 103 CO -0.00 0.27 0.04 0.68 0.41 0.00 0.00 173.24 174.64 1y3g s VAL 104 N -0.31 1.64 -1.56 3.43 -7.23 -0.43 -1.37 120.40 114.57 1y3g s VAL 104 Ca 0.01 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.19 1y3g s VAL 104 Cb -0.13 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.23 1y3g s VAL 104 CO 0.02 0.00 0.56 1.41 -0.31 0.00 0.00 175.10 176.79 1y3g n HIS 105 N -1.17 -1.88 -2.40 2.82 8.25 -1.18 -0.84 115.22 118.82 1y3g n HIS 105 Ca -0.11 0.48 -0.43 0.00 -0.26 0.00 0.00 57.72 57.41 1y3g n HIS 105 Cb 0.67 -4.45 -0.02 0.00 1.12 0.00 0.00 29.99 27.30 1y3g n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1y3g s TYR 106 N -3.17 2.96 0.00 4.41 5.04 -1.10 0.14 117.35 125.63 1y3g s TYR 106 Ca 0.28 1.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1y3g s TYR 106 Cb -0.12 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.69 1y3g s TYR 106 CO 0.35 -1.69 0.00 0.45 -1.34 0.00 0.00 175.55 173.32 1y3g n SER 107 N 5.89 -3.89 -4.08 4.32 2.88 -0.17 -4.36 113.62 114.22 1y3g n SER 107 Ca 0.13 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.35 1y3g n SER 107 Cb 0.45 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.75 1y3g n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1y3g s GLN 108 N 0.00 2.65 -1.52 -1.46 -0.21 -1.26 -4.22 119.66 113.63 1y3g s GLN 108 Ca 0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 55.36 54.63 1y3g s GLN 108 Cb 0.00 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.71 1y3g s GLN 108 CO 0.00 -0.20 0.59 0.41 -2.12 0.00 0.00 175.29 173.98 1y3g n GLY 109 N 4.61 -0.52 3.63 3.09 0.00 -1.26 -4.93 105.19 109.82 1y3g n GLY 109 Ca -0.19 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1y3g n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1y3g s TYR 110 N -3.15 2.85 -0.64 1.61 5.04 -1.26 -3.98 117.35 117.83 1y3g s TYR 110 Ca 0.32 0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 55.87 1y3g s TYR 110 Cb -0.14 -3.89 0.11 0.00 0.35 0.00 0.00 41.96 38.38 1y3g s TYR 110 CO 0.39 -1.36 2.61 0.09 -1.34 0.00 0.00 175.55 175.94 1y3g n ASN 111 N 7.40 6.84 -3.23 4.32 3.02 -1.26 -1.10 115.26 131.26 1y3g n ASN 111 Ca 0.14 -3.28 -0.05 0.00 -0.03 0.00 0.00 54.58 51.36 1y3g n ASN 111 Cb 0.47 -1.23 0.02 0.00 -0.61 0.00 0.00 39.78 38.43 1y3g n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1y3g s ASN 112 N 0.15 0.00 0.16 6.41 3.84 -1.26 -5.03 114.94 119.21 1y3g s ASN 112 Ca 0.57 -0.82 -0.12 0.00 0.21 0.00 0.00 52.86 52.70 1y3g s ASN 112 Cb 0.36 0.61 0.01 0.00 -0.55 0.00 0.00 41.25 41.67 1y3g s ASN 112 CO -0.22 -1.21 0.35 0.00 -2.79 0.00 0.00 177.10 173.22 1y3g s ALA 113 N -2.21 -0.35 -0.08 1.71 0.00 -1.26 -1.63 121.76 117.93 1y3g s ALA 113 Ca 0.20 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 1y3g s ALA 113 Cb -0.03 0.80 0.12 0.00 0.00 0.00 0.00 23.12 24.00 1y3g s ALA 113 CO 0.07 -0.67 1.01 -0.59 0.00 0.00 0.00 175.76 175.58 1y3g s PHE 114 N -3.92 -0.27 -0.30 0.00 -0.71 -0.56 -5.00 117.98 107.23 1y3g s PHE 114 Ca 0.12 0.17 -0.11 0.00 -1.04 0.00 0.00 56.93 56.07 1y3g s PHE 114 Cb 0.02 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 1y3g s PHE 114 CO -0.03 -0.41 0.18 -0.46 -1.34 0.00 0.00 175.22 173.15 1y3g s TRP 115 N -2.83 3.19 -1.51 3.49 -0.11 -1.26 -0.76 118.94 119.15 1y3g s TRP 115 Ca 0.07 -0.24 0.11 0.00 1.22 0.00 0.00 56.10 57.26 1y3g s TRP 115 Cb -0.01 -2.38 0.40 0.00 -1.50 0.00 0.00 33.47 29.99 1y3g s TRP 115 CO -0.07 -0.33 1.27 0.27 -4.62 0.00 0.00 176.95 173.48 1y3g n ASN 116 N 5.03 2.74 0.00 5.86 6.94 -0.27 -4.86 115.26 130.70 1y3g n ASN 116 Ca -0.14 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1y3g n ASN 116 Cb 0.50 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1y3g n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1y3g n GLY 117 N 0.89 2.27 0.00 4.83 0.00 -1.26 -4.74 105.19 107.17 1y3g n GLY 117 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1y3g n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y3g n SER 118 N 0.00 1.89 -3.69 1.61 7.64 -1.26 -5.13 113.62 114.68 1y3g n SER 118 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1y3g n SER 118 Cb 0.00 0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.51 1y3g n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y3g s GLN 119 N -0.96 1.62 0.12 1.43 -2.07 -1.26 -4.76 119.66 113.78 1y3g s GLN 119 Ca 0.00 -0.93 -0.11 0.00 -1.82 0.00 0.00 55.36 52.50 1y3g s GLN 119 Cb 0.00 0.53 -0.06 0.00 -1.09 0.00 0.00 33.01 32.39 1y3g s GLN 119 CO 0.00 -0.75 0.46 -1.64 -1.32 0.00 0.00 175.29 172.05 1y3g s MET 120 N -3.42 3.83 -0.02 9.60 -1.94 -0.26 -1.11 119.30 125.97 1y3g s MET 120 Ca 0.13 0.27 0.01 0.00 -1.71 0.00 0.00 55.69 54.39 1y3g s MET 120 Cb -0.04 -2.93 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1y3g s MET 120 CO 0.06 0.50 -0.03 0.08 -0.01 0.00 0.00 175.02 175.62 1y3g s VAL 121 N -1.48 0.36 -0.06 -6.03 1.01 0.06 -1.12 120.40 113.14 1y3g s VAL 121 Ca 0.37 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1y3g s VAL 121 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1y3g s VAL 121 CO 0.19 0.15 -0.09 -0.31 0.00 0.00 0.00 175.10 175.04 1y3g s TYR 122 N 0.47 1.18 0.70 5.22 2.02 -0.47 -1.50 117.35 124.97 1y3g s TYR 122 Ca -0.05 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.17 1y3g s TYR 122 Cb -0.09 -0.92 0.05 0.00 -0.40 0.00 0.00 41.96 40.61 1y3g s TYR 122 CO -0.01 -0.25 1.01 0.20 -1.57 0.00 0.00 175.55 174.94 1y3g s GLY 123 N 0.78 1.67 0.01 0.71 0.00 -0.65 -2.71 107.32 107.13 1y3g s GLY 123 Ca -0.13 -0.86 0.23 0.00 0.00 0.00 0.00 44.72 43.96 1y3g s GLY 123 CO 0.02 -0.47 1.18 1.22 0.00 0.00 0.00 173.10 175.06 1y3g n ASP 124 N -2.91 0.69 0.00 1.64 8.00 -1.19 -2.48 116.55 120.30 1y3g n ASP 124 Ca 0.08 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1y3g n ASP 124 Cb 0.60 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 1y3g n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y3g n GLY 125 N 1.48 -2.03 0.56 0.44 0.00 -0.26 -0.85 105.19 104.54 1y3g n GLY 125 Ca 0.04 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.70 1y3g n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y3g n ASP 126 N -2.39 1.73 0.00 1.61 5.68 -1.20 -4.09 116.55 117.89 1y3g n ASP 126 Ca 0.00 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1y3g n ASP 126 Cb 0.00 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1y3g n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y3g n GLY 127 N 1.19 0.95 0.96 6.12 0.00 0.26 -4.76 105.19 109.92 1y3g n GLY 127 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1y3g n GLY 127 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1y3g n GLN 128 N -2.09 0.00 0.07 1.61 7.27 -1.26 -4.77 117.38 118.21 1y3g n GLN 128 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1y3g n GLN 128 Cb 0.00 -0.52 -0.15 0.00 2.41 0.00 0.00 30.24 31.99 1y3g n GLN 128 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1y3g h THR 129 N 0.00 1.03 -3.99 1.69 2.02 -1.95 -3.36 112.91 108.36 1y3g h THR 129 Ca 0.00 -2.65 -0.10 0.00 0.77 0.00 0.00 66.41 64.43 1y3g h THR 129 Cb 0.95 2.75 -0.14 0.00 -1.74 0.00 0.00 68.15 69.97 1y3g h THR 129 CO 0.00 0.83 -0.48 -0.36 0.37 0.00 0.00 175.52 175.88 1y3g s PHE 130 N -2.60 0.33 0.35 3.16 0.08 -1.26 -0.60 117.98 117.44 1y3g s PHE 130 Ca -0.12 -0.79 0.09 0.00 0.12 0.00 0.00 56.93 56.22 1y3g s PHE 130 Cb 0.06 -0.19 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 1y3g s PHE 130 CO 0.85 -0.51 0.04 0.96 -0.10 0.00 0.00 175.22 176.46 1y3g s ILE 131 N -3.90 2.60 -0.45 0.64 -4.36 -0.61 -0.57 121.20 114.54 1y3g s ILE 131 Ca 0.08 -1.93 -0.42 0.00 -0.26 0.00 0.00 60.65 58.12 1y3g s ILE 131 Cb 0.06 -2.84 -0.18 0.00 1.25 0.00 0.00 42.46 40.75 1y3g s ILE 131 CO -0.09 -0.17 1.56 -2.65 0.24 0.00 0.00 174.94 173.83 1y3g n PRO 132 N -0.99 0.00 0.12 0.37 -0.02 -0.03 -4.49 135.00 129.96 1y3g n PRO 132 Ca -0.04 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.60 1y3g n PRO 132 Cb 0.63 -1.36 0.70 0.00 -0.02 0.00 0.00 33.50 33.45 1y3g n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1y3g h LEU 133 N 5.34 0.00 0.00 2.45 4.07 -1.74 -2.04 115.31 123.39 1y3g h LEU 133 Ca -0.33 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1y3g h LEU 133 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1y3g h LEU 133 CO 0.91 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.73 1y3g n SER 134 N -4.31 0.00 0.00 -0.43 3.41 -1.26 -2.65 113.62 108.39 1y3g n SER 134 Ca 0.04 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1y3g n SER 134 Cb 0.40 -0.27 0.48 0.00 -0.26 0.00 0.00 64.21 64.56 1y3g n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y3g n GLY 135 N -0.27 -1.29 3.37 5.00 0.00 -0.77 -4.21 105.19 107.02 1y3g n GLY 135 Ca 0.06 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1y3g n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y3g s GLY 136 N -3.02 1.79 0.30 -0.02 0.00 -1.09 -4.86 107.32 100.43 1y3g s GLY 136 Ca 0.11 -1.40 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 1y3g s GLY 136 CO 0.42 0.64 1.94 1.19 0.00 0.00 0.00 173.10 177.29 1y3g h ILE 137 N 5.79 1.14 -0.29 0.90 2.10 -1.89 -1.08 117.51 124.17 1y3g h ILE 137 Ca -0.33 -0.36 -0.05 0.00 1.08 0.00 0.00 64.86 65.20 1y3g h ILE 137 Cb 1.14 -0.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 1y3g h ILE 137 CO 0.60 0.19 -0.03 -2.24 -1.08 0.00 0.00 178.15 175.59 1y3g h ASP 138 N 1.06 0.43 0.08 2.19 3.04 -1.94 -1.12 116.42 120.15 1y3g h ASP 138 Ca 0.34 -0.08 -0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1y3g h ASP 138 Cb 0.04 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 1y3g h ASP 138 CO -0.10 0.52 -0.04 0.58 -2.04 0.00 0.00 179.24 178.16 1y3g h VAL 139 N 0.44 1.04 -0.38 4.15 2.07 -1.56 0.12 116.25 122.14 1y3g h VAL 139 Ca 0.09 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1y3g h VAL 139 Cb 0.34 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1y3g h VAL 139 CO 0.01 0.11 0.19 0.58 0.02 0.00 0.00 177.57 178.49 1y3g h VAL 140 N -0.31 0.99 -0.37 2.57 2.07 -1.03 -0.68 116.25 119.48 1y3g h VAL 140 Ca -0.01 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1y3g h VAL 140 Cb 0.27 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1y3g h VAL 140 CO 0.02 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.61 1y3g h ALA 141 N 1.19 1.19 -0.14 1.67 0.00 -1.15 -0.85 119.26 121.17 1y3g h ALA 141 Ca 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y3g h ALA 141 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y3g h ALA 141 CO -0.10 0.52 0.09 1.25 0.00 0.00 0.00 179.25 181.01 1y3g h HIS 142 N 0.58 0.18 -0.22 0.00 6.17 -0.16 0.07 115.15 121.77 1y3g h HIS 142 Ca 0.11 0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.19 1y3g h HIS 142 Cb 0.47 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.33 1y3g h HIS 142 CO 0.02 0.15 0.14 0.93 0.71 0.00 0.00 177.93 179.87 1y3g h GLU 143 N 0.17 0.29 -0.30 5.26 4.39 -0.79 -2.51 114.58 121.08 1y3g h GLU 143 Ca 0.05 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1y3g h GLU 143 Cb 0.01 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1y3g h GLU 143 CO -0.01 0.22 -0.01 1.25 -1.16 0.00 0.00 179.01 179.31 1y3g h LEU 144 N 0.28 0.43 -1.19 1.33 5.85 -1.00 -1.98 115.31 119.04 1y3g h LEU 144 Ca 0.08 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1y3g h LEU 144 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1y3g h LEU 144 CO -0.02 0.51 -0.30 0.74 -0.34 0.00 0.00 178.44 179.02 1y3g h THR 145 N 0.45 1.25 -0.87 1.05 2.02 -0.68 -1.89 112.91 114.24 1y3g h THR 145 Ca 0.10 -1.20 0.09 0.00 0.77 0.00 0.00 66.41 66.17 1y3g h THR 145 Cb 0.30 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.18 1y3g h THR 145 CO 0.01 0.36 0.57 0.45 0.37 0.00 0.00 175.52 177.27 1y3g h HIS 146 N 0.15 0.93 -0.22 3.16 3.86 -0.93 0.16 115.15 122.27 1y3g h HIS 146 Ca 0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1y3g h HIS 146 Cb 0.62 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1y3g h HIS 146 CO 0.01 0.44 -0.03 0.00 0.86 0.00 0.00 177.93 179.21 1y3g h ALA 147 N 1.56 0.30 -0.28 2.45 0.00 -1.36 -1.33 119.26 120.59 1y3g h ALA 147 Ca 0.40 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1y3g h ALA 147 Cb 0.38 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1y3g h ALA 147 CO -0.16 0.06 0.00 0.28 0.00 0.00 0.00 179.25 179.43 1y3g h VAL 148 N 0.15 0.80 -0.41 0.00 2.07 -0.75 -1.60 116.25 116.51 1y3g h VAL 148 Ca 0.06 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1y3g h VAL 148 Cb 0.47 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1y3g h VAL 148 CO 0.02 0.02 0.13 0.74 0.02 0.00 0.00 177.57 178.50 1y3g h THR 149 N 0.09 0.85 -0.97 2.57 2.02 -0.67 -1.95 112.91 114.85 1y3g h THR 149 Ca 0.14 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.33 1y3g h THR 149 Cb 0.18 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1y3g h THR 149 CO -0.23 0.05 0.62 0.44 0.37 0.00 0.00 175.52 176.77 1y3g h ASP 150 N 0.29 0.90 0.78 4.18 5.19 -0.55 0.13 116.42 127.33 1y3g h ASP 150 Ca 0.19 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1y3g h ASP 150 Cb 0.20 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1y3g h ASP 150 CO -0.21 0.50 -0.14 -1.22 -3.12 0.00 0.00 179.24 175.05 1y3g n TYR 151 N -4.57 0.00 0.00 4.55 4.01 -0.67 -4.23 117.16 116.25 1y3g n TYR 151 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1y3g n TYR 151 Cb 0.33 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1y3g n TYR 151 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1y3g n THR 152 N -1.43 0.00 -0.11 -0.72 -2.24 -0.42 -4.91 114.28 104.44 1y3g n THR 152 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 1y3g n THR 152 Cb 0.33 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 68.94 1y3g n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y3g h ALA 153 N 0.11 1.72 -1.21 6.98 0.00 -1.56 -3.47 119.26 121.83 1y3g h ALA 153 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1y3g h ALA 153 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1y3g h ALA 153 CO 0.00 0.20 -0.27 0.41 0.00 0.00 0.00 179.25 179.59 1y3g n GLY 154 N -1.46 0.51 3.69 0.00 0.00 -0.10 -1.53 105.19 106.30 1y3g n GLY 154 Ca 0.08 -0.42 -0.61 0.00 0.00 0.00 0.00 46.02 45.06 1y3g n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y3g n LEU 155 N -1.57 1.56 -4.77 0.99 4.77 -1.26 -4.33 117.00 112.38 1y3g n LEU 155 Ca -0.13 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.58 1y3g n LEU 155 Cb 0.51 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1y3g n LEU 155 CO 0.17 -0.83 0.98 0.27 -1.33 0.00 0.00 177.39 176.65 1y3g s ILE 156 N 2.60 2.68 -1.20 -0.08 -0.00 0.25 -4.83 121.20 120.62 1y3g s ILE 156 Ca 0.99 0.66 -0.08 0.00 -0.00 0.00 0.00 60.65 62.22 1y3g s ILE 156 Cb -1.26 -3.41 -0.09 0.00 -0.00 0.00 0.00 42.46 37.70 1y3g s ILE 156 CO 0.69 0.14 2.65 0.00 -0.00 0.00 0.00 174.94 178.43 1y3g n TYR 157 N 0.60 1.78 -3.52 1.37 -0.00 -1.26 -1.54 117.16 114.59 1y3g n TYR 157 Ca 0.01 -2.48 -0.13 0.00 -0.00 0.00 0.00 57.90 55.30 1y3g n TYR 157 Cb 0.42 -2.07 -0.04 0.00 -0.00 0.00 0.00 39.34 37.64 1y3g n TYR 157 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 1y3g s GLN 158 N 2.56 0.89 3.48 2.98 -2.07 -1.26 -4.82 119.66 121.41 1y3g s GLN 158 Ca 0.57 0.01 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 1y3g s GLN 158 Cb 0.16 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.49 1y3g s GLN 158 CO -0.04 -0.32 0.00 0.09 -1.32 0.00 0.00 175.29 173.70 1y3g n ASN 159 N 0.43 0.00 -0.18 12.60 3.02 -0.79 -1.09 115.26 129.26 1y3g n ASN 159 Ca -0.14 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 1y3g n ASN 159 Cb 0.59 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.77 1y3g n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1y3g h GLU 160 N 0.00 0.77 -0.55 3.52 5.08 -1.90 -0.53 114.58 120.96 1y3g h GLU 160 Ca 0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1y3g h GLU 160 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 1y3g h GLU 160 CO 0.00 0.70 0.15 0.66 -1.00 0.00 0.00 179.01 179.52 1y3g h SER 161 N 0.68 0.77 -0.07 1.42 4.64 -1.58 -0.94 113.55 118.47 1y3g h SER 161 Ca 0.17 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 1y3g h SER 161 Cb 0.23 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1y3g h SER 161 CO -0.01 0.74 -0.25 1.23 -0.87 0.00 0.00 176.83 177.67 1y3g h GLY 162 N 0.96 0.54 1.16 -0.77 0.00 -0.05 -0.01 103.07 104.91 1y3g h GLY 162 Ca 0.18 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1y3g h GLY 162 CO -0.01 0.41 -0.00 0.00 0.00 0.00 0.00 176.54 176.94 1y3g h ALA 163 N 1.29 0.90 -0.42 3.60 0.00 -0.33 -1.20 119.26 123.11 1y3g h ALA 163 Ca 0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1y3g h ALA 163 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y3g h ALA 163 CO 0.05 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.87 1y3g h ILE 164 N 0.92 1.23 -0.47 0.00 2.04 -0.75 -0.30 117.51 120.18 1y3g h ILE 164 Ca 0.17 -0.79 0.09 0.00 1.00 0.00 0.00 64.86 65.33 1y3g h ILE 164 Cb 0.54 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 1y3g h ILE 164 CO 0.03 0.28 -0.02 -1.13 0.00 0.00 0.00 178.15 177.31 1y3g h ASN 165 N 0.54 -0.23 -0.04 1.72 -0.73 -0.71 -0.31 115.58 115.82 1y3g h ASN 165 Ca 0.13 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 1y3g h ASN 165 Cb 0.31 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.11 1y3g h ASN 165 CO 0.00 -0.08 0.02 -0.33 -0.37 0.00 0.00 177.43 176.67 1y3g h GLU 166 N 0.10 0.06 -0.65 6.67 4.39 -0.85 -2.80 114.58 121.50 1y3g h GLU 166 Ca 0.23 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.01 1y3g h GLU 166 Cb 0.35 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 1y3g h GLU 166 CO -0.40 0.17 0.30 0.00 -1.16 0.00 0.00 179.01 177.92 1y3g h ALA 167 N 0.89 0.87 -0.40 3.43 0.00 -0.60 -1.14 119.26 122.31 1y3g h ALA 167 Ca 0.01 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1y3g h ALA 167 Cb 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1y3g h ALA 167 CO -0.00 -0.09 -0.06 0.82 0.00 0.00 0.00 179.25 179.92 1y3g h ILE 168 N 0.54 0.64 -0.75 0.00 1.08 -0.92 0.19 117.51 118.29 1y3g h ILE 168 Ca 0.32 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.77 1y3g h ILE 168 Cb 0.32 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1y3g h ILE 168 CO -0.26 0.01 0.45 0.28 -0.69 0.00 0.00 178.15 177.94 1y3g h SER 169 N 0.04 0.89 -0.18 1.72 0.02 -1.06 -0.62 113.55 114.37 1y3g h SER 169 Ca 0.20 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 1y3g h SER 169 Cb 0.29 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1y3g h SER 169 CO -0.38 0.68 -0.27 0.44 -1.14 0.00 0.00 176.83 176.16 1y3g h ASP 170 N 1.02 0.54 0.79 3.07 3.32 -0.05 -0.12 116.42 124.99 1y3g h ASP 170 Ca 0.27 -0.52 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1y3g h ASP 170 Cb -0.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1y3g h ASP 170 CO -0.05 0.96 -0.43 0.40 -1.72 0.00 0.00 179.24 178.40 1y3g h ILE 171 N 0.14 0.13 -0.36 0.35 2.04 -0.40 -0.20 117.51 119.21 1y3g h ILE 171 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1y3g h ILE 171 Cb 0.85 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1y3g h ILE 171 CO 0.06 0.00 0.04 -0.26 0.00 0.00 0.00 178.15 177.99 1y3g h PHE 172 N -1.13 0.56 -0.92 1.37 0.04 -1.22 0.97 116.94 116.62 1y3g h PHE 172 Ca -0.11 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1y3g h PHE 172 Cb 0.89 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 1y3g h PHE 172 CO -0.06 0.52 0.56 0.78 -0.60 0.00 0.00 178.31 179.52 1y3g h GLY 173 N 0.81 1.33 0.91 -1.45 0.00 -0.81 -0.66 103.07 103.20 1y3g h GLY 173 Ca 0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1y3g h GLY 173 CO 0.00 0.53 -0.21 -0.84 0.00 0.00 0.00 176.54 176.02 1y3g h THR 174 N 1.27 1.31 -0.67 4.70 2.02 0.00 -2.24 112.91 119.29 1y3g h THR 174 Ca 0.33 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1y3g h THR 174 Cb -0.06 1.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1y3g h THR 174 CO -0.06 0.43 0.38 -0.07 0.37 0.00 0.00 175.52 176.56 1y3g h LEU 175 N 0.33 0.82 -0.58 2.58 3.38 -0.47 -0.58 115.31 120.80 1y3g h LEU 175 Ca 0.05 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1y3g h LEU 175 Cb 0.76 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1y3g h LEU 175 CO 0.06 0.66 -0.03 0.58 0.09 0.00 0.00 178.44 179.80 1y3g h VAL 176 N 0.93 1.27 -0.60 1.22 2.07 -1.05 0.68 116.25 120.77 1y3g h VAL 176 Ca 0.24 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.65 1y3g h VAL 176 Cb 0.01 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1y3g h VAL 176 CO -0.04 0.42 0.31 -0.08 0.02 0.00 0.00 177.57 178.20 1y3g h GLU 177 N 0.93 0.56 -0.50 1.57 4.81 -0.67 0.08 114.58 121.35 1y3g h GLU 177 Ca 0.16 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1y3g h GLU 177 Cb 0.58 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1y3g h GLU 177 CO 0.03 0.37 -0.04 0.74 -0.73 0.00 0.00 179.01 179.39 1y3g h PHE 178 N 0.57 0.95 -0.88 0.92 0.04 -0.74 -1.86 116.94 115.94 1y3g h PHE 178 Ca 0.27 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1y3g h PHE 178 Cb 0.20 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.06 1y3g h PHE 178 CO -0.10 0.88 0.57 -0.92 -0.60 0.00 0.00 178.31 178.14 1y3g h TYR 179 N 0.80 1.12 0.00 -0.55 3.20 0.33 -1.06 116.97 120.82 1y3g h TYR 179 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1y3g h TYR 179 Cb 0.53 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1y3g h TYR 179 CO 0.03 0.72 -0.12 0.00 -1.64 0.00 0.00 178.16 177.16 1y3g n ALA 180 N -2.35 2.55 -3.45 1.82 0.00 -0.10 -4.91 120.51 114.06 1y3g n ALA 180 Ca 0.10 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1y3g n ALA 180 Cb 0.03 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.12 1y3g n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y3g n ASN 181 N -1.68 -5.71 -4.38 0.00 5.15 -0.40 -4.91 115.26 103.33 1y3g n ASN 181 Ca 0.06 -0.49 -0.45 0.00 -0.60 0.00 0.00 54.58 53.11 1y3g n ASN 181 Cb 0.36 -4.56 -0.00 0.00 -0.53 0.00 0.00 39.78 35.05 1y3g n ASN 181 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1y3g s LYS 182 N -6.15 4.13 -1.35 1.20 1.02 -1.13 -4.65 119.74 112.81 1y3g s LYS 182 Ca 0.49 -2.96 -0.10 0.00 0.02 0.00 0.00 55.97 53.42 1y3g s LYS 182 Cb -0.23 -4.72 0.01 0.00 -0.52 0.00 0.00 37.83 32.37 1y3g s LYS 182 CO 0.61 -1.42 0.46 0.09 -0.92 0.00 0.00 175.35 174.16 1y3g n ASN 183 N 3.77 -1.70 -4.74 2.83 3.02 -1.26 -4.82 115.26 112.36 1y3g n ASN 183 Ca 0.27 -1.11 -0.38 0.00 -0.03 0.00 0.00 54.58 53.34 1y3g n ASN 183 Cb 0.41 -2.62 0.05 0.00 -0.61 0.00 0.00 39.78 37.01 1y3g n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1y3g s PRO 184 N -6.74 2.94 0.37 3.52 0.04 -1.26 -5.02 135.00 128.84 1y3g s PRO 184 Ca 0.18 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 1y3g s PRO 184 Cb -0.08 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1y3g s PRO 184 CO 0.92 -1.33 0.74 0.16 0.04 0.00 0.00 177.00 177.53 1y3g s ASP 185 N -1.09 0.08 -0.36 6.66 1.47 -1.26 -5.03 116.67 117.14 1y3g s ASP 185 Ca 0.75 -1.12 0.08 0.00 1.18 0.00 0.00 52.55 53.44 1y3g s ASP 185 Cb -0.40 0.81 0.66 0.00 -0.34 0.00 0.00 42.92 43.66 1y3g s ASP 185 CO 0.45 -1.60 1.76 0.79 0.68 0.00 0.00 175.17 177.25 1y3g n TRP 186 N -0.52 2.34 -4.20 2.11 7.02 -1.26 -4.92 117.44 118.01 1y3g n TRP 186 Ca -0.07 -1.49 -0.25 0.00 -1.02 0.00 0.00 57.50 54.68 1y3g n TRP 186 Cb 0.60 -0.73 -0.07 0.00 -2.42 0.00 0.00 31.31 28.70 1y3g n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1y3g s GLU 187 N -3.14 2.53 -0.20 -0.99 0.41 -1.26 -0.68 118.70 115.36 1y3g s GLU 187 Ca 0.53 -1.15 -0.03 0.00 -0.41 0.00 0.00 54.97 53.91 1y3g s GLU 187 Cb 0.44 -2.38 -0.01 0.00 -1.78 0.00 0.00 34.13 30.40 1y3g s GLU 187 CO 0.10 0.42 -0.05 0.42 -0.49 0.00 0.00 175.26 175.66 1y3g s ILE 188 N -1.96 3.39 -1.05 -1.63 -1.09 0.46 -4.71 121.20 114.61 1y3g s ILE 188 Ca 0.30 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 1y3g s ILE 188 Cb -0.08 -2.53 0.00 0.00 -1.58 0.00 0.00 42.46 38.27 1y3g s ILE 188 CO 0.21 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.97 1y3g n GLY 189 N 4.53 1.07 0.30 6.18 0.00 -1.26 -1.38 105.19 114.63 1y3g n GLY 189 Ca -0.18 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.41 1y3g n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1y3g h GLU 190 N 0.00 0.00 0.00 1.61 9.09 -1.84 -2.11 114.58 121.33 1y3g h GLU 190 Ca -0.21 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.17 1y3g h GLU 190 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 1y3g h GLU 190 CO 0.30 0.00 -0.17 -0.44 0.05 0.00 0.00 179.01 178.75 1y3g h ASP 191 N 0.00 0.00 0.00 3.06 3.32 -1.91 -3.33 116.42 117.56 1y3g h ASP 191 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1y3g h ASP 191 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1y3g h ASP 191 CO -0.00 0.17 0.00 1.33 -1.72 0.00 0.00 179.24 179.02 1y3g n VAL 192 N -3.22 0.13 -3.51 -1.35 0.24 -0.91 -4.88 118.33 104.84 1y3g n VAL 192 Ca 0.02 -0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1y3g n VAL 192 Cb 0.49 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 1y3g n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1y3g s TYR 193 N -0.13 3.60 -0.51 6.34 5.04 -0.84 -1.57 117.35 129.28 1y3g s TYR 193 Ca 0.00 0.82 -0.28 0.00 -2.44 0.00 0.00 57.07 55.17 1y3g s TYR 193 Cb 0.00 -2.32 0.04 0.00 0.35 0.00 0.00 41.96 40.03 1y3g s TYR 193 CO 0.00 0.45 0.61 0.25 -1.34 0.00 0.00 175.55 175.52 1y3g n THR 194 N 2.66 -3.44 -0.38 4.34 -2.24 0.23 -4.65 114.28 110.81 1y3g n THR 194 Ca -0.13 0.05 0.33 0.00 -2.27 0.00 0.00 64.05 62.03 1y3g n THR 194 Cb 0.52 -3.12 0.56 0.00 -2.10 0.00 0.00 70.33 66.19 1y3g n THR 194 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1y3g n PRO 195 N -0.77 -0.03 0.00 -0.78 -0.02 -1.26 0.29 135.00 132.44 1y3g n PRO 195 Ca -0.14 1.07 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1y3g n PRO 195 Cb 0.65 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1y3g n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y3g n GLY 196 N -1.40 1.62 2.82 -1.23 0.00 -1.26 -4.92 105.19 100.82 1y3g n GLY 196 Ca 0.34 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1y3g n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y3g s ILE 197 N 0.00 0.70 0.59 -0.61 1.09 0.86 -5.13 121.20 118.69 1y3g s ILE 197 Ca 0.00 -0.23 -0.15 0.00 -1.10 0.00 0.00 60.65 59.18 1y3g s ILE 197 Cb 0.00 -0.88 -0.04 0.00 -1.06 0.00 0.00 42.46 40.48 1y3g s ILE 197 CO 0.00 0.19 1.03 -0.94 -0.10 0.00 0.00 174.94 175.12 1y3g s SER 198 N 1.83 6.01 0.00 3.58 1.04 -1.26 -3.83 113.70 121.07 1y3g s SER 198 Ca 0.03 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1y3g s SER 198 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1y3g s SER 198 CO -0.07 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1y3g n GLY 199 N -1.49 2.86 3.99 7.32 0.00 -1.26 -5.00 105.19 111.61 1y3g n GLY 199 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1y3g n GLY 199 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1y3g s ASP 200 N -3.92 4.94 0.22 1.61 -4.77 -1.25 -5.12 116.67 108.38 1y3g s ASP 200 Ca 0.00 -0.33 -0.22 0.00 -3.30 0.00 0.00 52.55 48.70 1y3g s ASP 200 Cb 0.00 -0.33 0.04 0.00 -1.09 0.00 0.00 42.92 41.54 1y3g s ASP 200 CO 0.00 -1.41 0.67 -0.94 0.70 0.00 0.00 175.17 174.20 1y3g s SER 201 N -4.57 -0.40 -0.01 2.11 1.04 -1.26 -4.60 113.70 106.00 1y3g s SER 201 Ca 0.61 -0.32 -0.24 0.00 0.48 0.00 0.00 55.95 56.48 1y3g s SER 201 Cb -0.08 0.66 -0.19 0.00 0.10 0.00 0.00 66.02 66.51 1y3g s SER 201 CO 0.40 -1.16 1.22 0.25 0.98 0.00 0.00 173.24 174.93 1y3g h LEU 202 N 2.00 0.20 -8.12 2.42 5.85 -1.49 -3.47 115.31 112.71 1y3g h LEU 202 Ca -0.26 -0.57 -0.14 0.00 0.84 0.00 0.00 57.88 57.76 1y3g h LEU 202 Cb 1.28 -0.06 -0.17 0.00 0.37 0.00 0.00 40.66 42.08 1y3g h LEU 202 CO 0.30 0.73 -0.66 -0.13 -0.34 0.00 0.00 178.44 178.33 1y3g s ARG 203 N -3.94 0.52 -0.07 1.25 0.52 -1.20 -4.97 118.95 111.06 1y3g s ARG 203 Ca -0.15 -0.98 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1y3g s ARG 203 Cb 0.03 0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.68 1y3g s ARG 203 CO 0.72 -0.10 -0.19 0.45 0.02 0.00 0.00 175.30 176.20 1y3g s SER 204 N -2.38 2.49 -0.04 0.23 0.15 -1.26 -0.41 113.70 112.49 1y3g s SER 204 Ca -0.01 -0.43 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1y3g s SER 204 Cb 0.01 -1.01 -0.25 0.00 -1.71 0.00 0.00 66.02 63.07 1y3g s SER 204 CO -0.07 0.13 0.70 0.24 1.20 0.00 0.00 173.24 175.44 1y3g h MET 205 N 6.64 0.13 -0.07 5.44 2.86 -1.25 -2.79 114.93 125.88 1y3g h MET 205 Ca -0.27 -0.21 -0.17 0.00 -2.06 0.00 0.00 59.70 56.99 1y3g h MET 205 Cb 1.20 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1y3g h MET 205 CO 0.47 0.86 -0.68 0.66 1.06 0.00 0.00 176.91 179.28 1y3g h SER 206 N 0.03 0.38 -1.53 1.22 4.64 -1.88 -3.31 113.55 113.10 1y3g h SER 206 Ca -0.28 -0.24 -0.40 0.00 -0.47 0.00 0.00 61.79 60.39 1y3g h SER 206 Cb 2.00 -0.11 -0.28 0.00 -0.31 0.00 0.00 62.40 63.70 1y3g h SER 206 CO 0.11 0.95 -0.80 -0.67 -0.87 0.00 0.00 176.83 175.55 1y3g n ASP 207 N -3.84 -1.55 -0.26 4.97 2.03 -1.26 -5.00 116.55 111.64 1y3g n ASP 207 Ca -0.03 -2.74 0.15 0.00 0.52 0.00 0.00 54.79 52.69 1y3g n ASP 207 Cb 0.67 0.44 0.43 0.00 -0.72 0.00 0.00 41.12 41.94 1y3g n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1y3g h PRO 208 N 4.85 0.56 0.00 -0.67 0.11 -1.69 -1.06 132.00 134.10 1y3g h PRO 208 Ca 0.10 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 1y3g h PRO 208 Cb 0.98 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1y3g h PRO 208 CO 0.29 0.37 -0.02 0.00 -0.21 0.00 0.00 178.00 178.43 1y3g h ALA 209 N 1.61 1.25 -0.80 -0.75 0.00 -1.76 -1.59 119.26 117.21 1y3g h ALA 209 Ca 0.47 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.56 1y3g h ALA 209 Cb 0.91 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1y3g h ALA 209 CO -0.21 0.02 0.55 -0.22 0.00 0.00 0.00 179.25 179.39 1y3g h LYS 210 N 0.00 0.24 -0.24 0.00 3.64 -1.47 0.43 116.57 119.17 1y3g h LYS 210 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1y3g h LYS 210 Cb 0.07 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1y3g h LYS 210 CO 0.00 0.16 0.00 0.66 -2.27 0.00 0.00 179.45 178.00 1y3g n TYR 211 N -4.43 0.86 -0.87 1.91 4.01 -0.65 -4.95 117.16 113.04 1y3g n TYR 211 Ca 0.16 -0.88 0.00 0.00 -0.16 0.00 0.00 57.90 57.02 1y3g n TYR 211 Cb 0.70 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1y3g n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y3g n GLY 212 N -0.58 0.52 3.86 2.72 0.00 0.14 -5.04 105.19 106.82 1y3g n GLY 212 Ca 0.21 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1y3g n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y3g s ASP 213 N -2.34 6.66 0.38 1.61 1.01 -0.90 -4.94 116.67 118.16 1y3g s ASP 213 Ca 0.00 0.81 -0.27 0.00 0.71 0.00 0.00 52.55 53.80 1y3g s ASP 213 Cb 0.00 -2.19 -0.10 0.00 1.01 0.00 0.00 42.92 41.64 1y3g s ASP 213 CO 0.00 0.20 1.41 -2.16 0.21 0.00 0.00 175.17 174.83 1y3g s PRO 214 N -1.75 4.07 -0.02 8.23 0.04 -1.26 -2.33 135.00 141.98 1y3g s PRO 214 Ca 0.31 2.41 0.03 0.00 0.04 0.00 0.00 61.00 63.80 1y3g s PRO 214 Cb -0.14 -2.91 0.05 0.00 0.04 0.00 0.00 34.50 31.54 1y3g s PRO 214 CO 0.17 -0.50 0.94 -0.40 0.04 0.00 0.00 177.00 177.25 1y3g n ASP 215 N 0.37 1.63 -3.71 6.66 5.68 -1.26 -2.50 116.55 123.42 1y3g n ASP 215 Ca 0.02 -2.01 -0.12 0.00 -0.50 0.00 0.00 54.79 52.18 1y3g n ASP 215 Cb 0.41 -0.08 -0.10 0.00 -1.14 0.00 0.00 41.12 40.21 1y3g n ASP 215 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1y3g s HIS 216 N -1.09 -0.57 0.54 2.11 5.04 -1.26 -4.74 115.29 115.32 1y3g s HIS 216 Ca 0.05 1.30 0.32 0.00 -1.54 0.00 0.00 55.06 55.19 1y3g s HIS 216 Cb 0.05 0.23 1.49 0.00 0.04 0.00 0.00 32.58 34.38 1y3g s HIS 216 CO 0.00 -0.29 1.87 -0.92 -2.34 0.00 0.00 174.74 173.07 1y3g h TYR 217 N 6.04 0.00 0.00 3.88 3.20 -0.68 0.31 116.97 129.72 1y3g h TYR 217 Ca -0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1y3g h TYR 217 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1y3g h TYR 217 CO 0.33 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.51 1y3g h SER 218 N 0.00 0.00 -0.61 -2.11 4.64 -1.88 -2.80 113.55 110.80 1y3g h SER 218 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1y3g h SER 218 Cb 1.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.87 1y3g h SER 218 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1y3g n LYS 219 N -2.77 3.30 -1.79 4.77 5.02 0.11 -5.00 118.16 121.80 1y3g n LYS 219 Ca 0.01 -2.71 -0.41 0.00 -2.02 0.00 0.00 58.31 53.18 1y3g n LYS 219 Cb 0.28 -1.72 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 1y3g n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1y3g s ARG 220 N -1.56 4.10 0.01 1.97 1.70 -1.06 -4.68 118.95 119.43 1y3g s ARG 220 Ca 0.46 2.59 -0.30 0.00 -0.47 0.00 0.00 55.73 58.01 1y3g s ARG 220 Cb 0.28 -2.97 -0.03 0.00 -0.57 0.00 0.00 34.95 31.66 1y3g s ARG 220 CO 0.25 -0.55 0.99 -0.47 -1.08 0.00 0.00 175.30 174.44 1y3g s TYR 221 N -1.10 3.66 -0.20 5.89 5.04 -1.26 -4.94 117.35 124.44 1y3g s TYR 221 Ca 0.53 1.69 0.02 0.00 -2.44 0.00 0.00 57.07 56.87 1y3g s TYR 221 Cb -0.47 -3.13 0.05 0.00 0.35 0.00 0.00 41.96 38.77 1y3g s TYR 221 CO 0.63 -0.04 0.98 -2.37 -1.34 0.00 0.00 175.55 173.41 1y3g n THR 222 N 3.86 0.85 0.00 4.34 5.66 -1.26 -4.83 114.28 122.90 1y3g n THR 222 Ca 0.06 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 1y3g n THR 222 Cb 0.51 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1y3g n THR 222 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y3g n GLY 223 N -0.24 -1.87 0.00 1.09 0.00 -1.26 -5.02 105.19 97.90 1y3g n GLY 223 Ca 0.02 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.63 1y3g n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y3g n THR 224 N -0.41 0.00 -0.65 2.61 -2.24 -1.26 -4.45 114.28 107.88 1y3g n THR 224 Ca 0.00 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1y3g n THR 224 Cb 0.00 0.84 0.19 0.00 -2.10 0.00 0.00 70.33 69.26 1y3g n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1y3g s GLN 225 N -1.71 0.48 -1.50 -0.78 -0.21 -1.26 -2.38 119.66 112.30 1y3g s GLN 225 Ca 0.01 1.36 -0.06 0.00 0.02 0.00 0.00 55.36 56.70 1y3g s GLN 225 Cb 0.04 -1.68 0.05 0.00 1.00 0.00 0.00 33.01 32.42 1y3g s GLN 225 CO 0.21 -2.94 0.50 -3.47 -2.12 0.00 0.00 175.29 167.48 1y3g n ASP 226 N -4.43 -1.17 -3.37 5.90 2.03 -1.26 0.67 116.55 114.92 1y3g n ASP 226 Ca 0.09 -1.02 -0.24 0.00 0.52 0.00 0.00 54.79 54.14 1y3g n ASP 226 Cb 0.53 -2.89 0.01 0.00 -0.72 0.00 0.00 41.12 38.05 1y3g n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1y3g n ASN 227 N -2.88 -4.63 0.00 1.67 5.03 -1.22 -0.49 115.26 112.73 1y3g n ASN 227 Ca -0.20 -0.43 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1y3g n ASN 227 Cb 0.63 -3.77 0.00 0.00 -1.02 0.00 0.00 39.78 35.62 1y3g n ASN 227 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y3g n GLY 228 N -1.38 0.73 2.12 7.41 0.00 0.21 -1.88 105.19 112.40 1y3g n GLY 228 Ca -0.03 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1y3g n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y3g n GLY 229 N -1.19 0.41 0.33 -0.02 0.00 0.13 -4.30 105.19 100.55 1y3g n GLY 229 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.59 1y3g n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1y3g h VAL 230 N -0.61 1.15 -0.01 1.61 -1.51 -1.25 0.21 116.25 115.83 1y3g h VAL 230 Ca -0.16 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1y3g h VAL 230 Cb 1.11 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1y3g h VAL 230 CO 0.17 0.14 -0.07 1.41 -1.23 0.00 0.00 177.57 177.99 1y3g n HIS 231 N -4.45 0.00 -0.06 5.19 8.25 -1.26 -3.65 115.22 119.23 1y3g n HIS 231 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 1y3g n HIS 231 Cb 0.05 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.08 1y3g n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1y3g n ILE 232 N -0.42 1.17 0.27 1.59 5.41 0.31 -4.54 119.36 123.15 1y3g n ILE 232 Ca 0.17 0.22 0.06 0.00 1.00 0.00 0.00 62.75 64.21 1y3g n ILE 232 Cb 0.30 -2.12 0.27 0.00 -0.71 0.00 0.00 39.64 37.37 1y3g n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1y3g n ASN 233 N -4.00 0.17 0.28 4.38 3.02 0.46 -1.87 115.26 117.70 1y3g n ASN 233 Ca -0.10 0.56 0.12 0.00 -0.03 0.00 0.00 54.58 55.13 1y3g n ASN 233 Cb 0.38 -0.59 0.78 0.00 -0.61 0.00 0.00 39.78 39.75 1y3g n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1y3g h SER 234 N 0.00 0.00 -0.48 6.41 4.64 -1.74 -1.89 113.55 120.49 1y3g h SER 234 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1y3g h SER 234 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 1y3g h SER 234 CO 0.00 0.03 0.33 1.23 -0.87 0.00 0.00 176.83 177.55 1y3g h GLY 235 N 0.16 0.31 0.82 -0.77 0.00 -1.55 0.21 103.07 102.25 1y3g h GLY 235 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1y3g h GLY 235 CO 0.00 0.06 -0.05 -2.22 0.00 0.00 0.00 176.54 174.33 1y3g h ILE 236 N 0.23 0.99 -0.53 2.60 2.04 -1.03 0.74 117.51 122.56 1y3g h ILE 236 Ca 0.22 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 1y3g h ILE 236 Cb 0.59 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1y3g h ILE 236 CO -0.04 0.10 -0.12 0.40 0.00 0.00 0.00 178.15 178.49 1y3g h ILE 237 N -0.34 1.27 -0.57 -0.67 1.08 -1.53 -2.31 117.51 114.44 1y3g h ILE 237 Ca -0.02 -1.27 0.03 0.00 -0.39 0.00 0.00 64.86 63.21 1y3g h ILE 237 Cb 0.28 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1y3g h ILE 237 CO 0.03 0.45 0.35 0.78 -0.69 0.00 0.00 178.15 179.06 1y3g h ASN 238 N 0.89 0.56 -0.50 1.72 2.35 -0.49 0.60 115.58 120.71 1y3g h ASN 238 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1y3g h ASN 238 Cb 0.68 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1y3g h ASN 238 CO 0.05 0.39 0.33 0.50 -1.65 0.00 0.00 177.43 177.05 1y3g h LYS 239 N 0.68 0.67 -0.33 0.81 1.63 -0.70 -1.09 116.57 118.25 1y3g h LYS 239 Ca 0.23 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 60.03 1y3g h LYS 239 Cb 0.03 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 1y3g h LYS 239 CO -0.10 0.45 0.10 0.00 -3.45 0.00 0.00 179.45 176.45 1y3g h ALA 240 N 1.17 0.37 -0.51 5.00 0.00 -0.80 -1.28 119.26 123.21 1y3g h ALA 240 Ca 0.18 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1y3g h ALA 240 Cb -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1y3g h ALA 240 CO -0.04 -0.30 0.30 0.00 0.00 0.00 0.00 179.25 179.21 1y3g h ALA 241 N 1.22 0.66 -0.43 0.00 0.00 -0.56 -0.85 119.26 119.31 1y3g h ALA 241 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1y3g h ALA 241 Cb 0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1y3g h ALA 241 CO -0.17 -0.01 0.17 -0.92 0.00 0.00 0.00 179.25 178.32 1y3g h TYR 242 N 0.59 0.30 -0.32 0.00 3.20 -0.73 -2.25 116.97 117.77 1y3g h TYR 242 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1y3g h TYR 242 Cb 0.04 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1y3g h TYR 242 CO -0.07 0.13 0.15 -0.07 -1.64 0.00 0.00 178.16 176.65 1y3g h LEU 243 N 0.35 0.42 -0.68 2.82 3.38 -0.76 0.15 115.31 121.00 1y3g h LEU 243 Ca 0.19 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1y3g h LEU 243 Cb 0.16 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1y3g h LEU 243 CO -0.18 0.44 0.27 0.40 0.09 0.00 0.00 178.44 179.45 1y3g h ILE 244 N 0.38 0.74 0.26 1.22 2.04 -0.84 0.90 117.51 122.21 1y3g h ILE 244 Ca 0.11 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1y3g h ILE 244 Cb 0.13 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1y3g h ILE 244 CO -0.01 0.08 -0.12 -1.28 0.00 0.00 0.00 178.15 176.81 1y3g h SER 245 N 0.45 -0.29 0.57 1.72 0.87 -1.12 0.40 113.55 116.14 1y3g h SER 245 Ca 0.35 -0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.53 1y3g h SER 245 Cb 0.46 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1y3g h SER 245 CO -0.34 0.20 -1.60 0.00 -0.53 0.00 0.00 176.83 174.57 1y3g n GLN 246 N -5.00 0.63 0.00 2.24 1.13 0.52 -0.62 117.38 116.27 1y3g n GLN 246 Ca -0.06 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1y3g n GLN 246 Cb 0.21 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.76 1y3g n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y3g n GLY 247 N 1.49 -1.25 0.00 1.08 0.00 0.31 -4.17 105.19 102.66 1y3g n GLY 247 Ca -0.14 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1y3g n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y3g n GLY 248 N -1.26 0.87 3.14 -0.02 0.00 0.63 -4.72 105.19 103.83 1y3g n GLY 248 Ca 0.00 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1y3g n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y3g s THR 249 N -1.11 2.36 -0.12 2.61 2.01 -1.26 0.73 115.64 120.87 1y3g s THR 249 Ca 0.00 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.88 1y3g s THR 249 Cb 0.00 -2.16 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1y3g s THR 249 CO 0.00 0.29 -0.14 -2.28 -0.69 0.00 0.00 174.62 171.80 1y3g s HIS 250 N 1.26 1.97 -1.50 4.92 5.04 -0.24 -4.72 115.29 122.02 1y3g s HIS 250 Ca -0.00 -0.99 -0.12 0.00 -1.54 0.00 0.00 55.06 52.41 1y3g s HIS 250 Cb -0.16 -1.45 0.08 0.00 0.04 0.00 0.00 32.58 31.09 1y3g s HIS 250 CO -0.08 -0.53 0.90 0.66 -2.34 0.00 0.00 174.74 173.35 1y3g n TYR 251 N 4.43 -2.24 0.00 3.88 4.01 -1.26 -1.48 117.16 124.50 1y3g n TYR 251 Ca -0.18 0.83 0.00 0.00 -0.16 0.00 0.00 57.90 58.39 1y3g n TYR 251 Cb 0.51 -3.93 0.00 0.00 -0.31 0.00 0.00 39.34 35.61 1y3g n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y3g n GLY 252 N -1.63 2.31 3.67 2.72 0.00 -1.26 -5.01 105.19 105.99 1y3g n GLY 252 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1y3g n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y3g s VAL 253 N -2.74 5.13 -0.11 1.61 0.11 -0.55 -5.07 120.40 118.78 1y3g s VAL 253 Ca 0.00 0.09 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1y3g s VAL 253 Cb 0.00 -3.34 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 1y3g s VAL 253 CO 0.00 0.43 0.43 -0.44 -3.33 0.00 0.00 175.10 172.19 1y3g s SER 254 N 0.54 6.66 -0.10 3.54 0.01 -1.26 -1.08 113.70 122.00 1y3g s SER 254 Ca 0.06 0.78 0.03 0.00 1.31 0.00 0.00 55.95 58.13 1y3g s SER 254 Cb -0.12 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1y3g s SER 254 CO 0.00 0.08 -0.19 -0.69 0.41 0.00 0.00 173.24 172.85 1y3g s VAL 255 N 0.31 1.68 -0.21 3.43 1.01 0.22 -4.90 120.40 121.94 1y3g s VAL 255 Ca 0.24 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1y3g s VAL 255 Cb -0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1y3g s VAL 255 CO 0.09 0.48 0.78 -0.69 0.00 0.00 0.00 175.10 175.76 1y3g s VAL 256 N 0.65 4.90 0.37 2.92 1.01 -1.26 -0.27 120.40 128.71 1y3g s VAL 256 Ca -0.13 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 1y3g s VAL 256 Cb -0.16 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1y3g s VAL 256 CO 0.04 0.00 1.23 -0.83 0.00 0.00 0.00 175.10 175.54 1y3g s GLY 257 N 1.27 2.95 0.00 4.51 0.00 -1.26 -4.70 107.32 110.09 1y3g s GLY 257 Ca 0.34 1.11 0.10 0.00 0.00 0.00 0.00 44.72 46.27 1y3g s GLY 257 CO 0.10 1.69 0.58 0.29 0.00 0.00 0.00 173.10 175.75 1y3g n ILE 258 N 0.45 0.00 0.00 0.90 -5.35 0.14 -4.85 119.36 110.65 1y3g n ILE 258 Ca 0.02 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 1y3g n ILE 258 Cb 0.44 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 1y3g n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y3g n GLY 259 N 0.99 1.62 0.20 3.28 0.00 0.21 -4.60 105.19 106.90 1y3g n GLY 259 Ca 0.04 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 1y3g n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1y3g h ARG 260 N 0.00 -0.26 -0.50 1.61 3.08 -1.93 -2.24 114.38 114.14 1y3g h ARG 260 Ca 0.00 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1y3g h ARG 260 Cb 0.00 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 1y3g h ARG 260 CO 0.00 -0.17 0.16 -0.44 -1.07 0.00 0.00 179.97 178.45 1y3g h ASP 261 N -0.27 0.14 -0.32 7.04 3.32 -1.99 -0.51 116.42 123.83 1y3g h ASP 261 Ca 0.05 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1y3g h ASP 261 Cb 0.33 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1y3g h ASP 261 CO -0.15 0.10 -0.16 0.11 -1.72 0.00 0.00 179.24 177.43 1y3g h LYS 262 N 0.33 0.78 -0.31 3.56 1.57 -1.79 -1.84 116.57 118.86 1y3g h LYS 262 Ca 0.25 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1y3g h LYS 262 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1y3g h LYS 262 CO -0.27 0.89 0.05 1.25 -0.57 0.00 0.00 179.45 180.80 1y3g h LEU 263 N 0.69 -0.01 -0.25 2.94 5.85 -0.68 0.06 115.31 123.92 1y3g h LEU 263 Ca 0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1y3g h LEU 263 Cb 0.65 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1y3g h LEU 263 CO 0.05 0.03 0.14 1.23 -0.34 0.00 0.00 178.44 179.55 1y3g h GLY 264 N 0.16 0.34 0.93 3.75 0.00 -0.86 0.21 103.07 107.60 1y3g h GLY 264 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1y3g h GLY 264 CO -0.20 0.10 0.10 0.50 0.00 0.00 0.00 176.54 177.03 1y3g h LYS 265 N 0.29 0.21 0.10 4.80 1.79 -0.89 0.13 116.57 123.00 1y3g h LYS 265 Ca 0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1y3g h LYS 265 Cb 0.00 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 1y3g h LYS 265 CO -0.05 0.14 -0.10 0.82 -1.08 0.00 0.00 179.45 179.18 1y3g h ILE 266 N 0.21 0.78 -0.62 1.86 1.08 -0.77 -1.25 117.51 118.81 1y3g h ILE 266 Ca 0.08 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.47 1y3g h ILE 266 Cb 0.01 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1y3g h ILE 266 CO -0.05 0.00 0.09 -0.26 -0.69 0.00 0.00 178.15 177.25 1y3g h PHE 267 N -0.22 1.09 -0.78 1.37 -1.00 -0.82 -1.61 116.94 114.98 1y3g h PHE 267 Ca 0.00 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.60 1y3g h PHE 267 Cb 0.21 -0.30 -0.04 0.00 3.61 0.00 0.00 35.95 39.43 1y3g h PHE 267 CO -0.11 0.93 0.36 -0.92 -1.61 0.00 0.00 178.31 176.96 1y3g h TYR 268 N 0.93 1.13 -0.37 -0.55 3.20 -0.66 0.13 116.97 120.78 1y3g h TYR 268 Ca 0.19 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 1y3g h TYR 268 Cb 0.44 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 1y3g h TYR 268 CO 0.03 0.83 0.10 -0.09 -1.64 0.00 0.00 178.16 177.40 1y3g h ARG 269 N 1.10 0.58 -0.52 1.82 2.43 -1.04 -1.10 114.38 117.66 1y3g h ARG 269 Ca 0.27 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1y3g h ARG 269 Cb 0.14 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1y3g h ARG 269 CO -0.03 0.61 0.32 0.00 -1.51 0.00 0.00 179.97 179.36 1y3g h ALA 270 N 0.95 0.66 -0.26 2.80 0.00 -0.94 0.11 119.26 122.58 1y3g h ALA 270 Ca 0.12 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1y3g h ALA 270 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1y3g h ALA 270 CO -0.00 0.05 0.06 1.25 0.00 0.00 0.00 179.25 180.61 1y3g h LEU 271 N 0.65 0.04 0.00 0.00 6.46 -0.50 0.35 115.31 122.30 1y3g h LEU 271 Ca 0.20 0.04 -0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1y3g h LEU 271 Cb -0.02 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1y3g h LEU 271 CO -0.07 0.06 -1.13 0.71 -0.62 0.00 0.00 178.44 177.38 1y3g h THR 272 N 0.17 0.27 0.00 1.05 1.35 -0.94 -3.28 112.91 111.53 1y3g h THR 272 Ca 0.12 -1.51 -0.19 0.00 -0.55 0.00 0.00 66.41 64.27 1y3g h THR 272 Cb 0.11 1.81 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 1y3g h THR 272 CO -0.15 0.15 -1.73 0.00 -0.25 0.00 0.00 175.52 173.54 1y3g n GLN 273 N -2.82 1.20 -0.02 4.72 1.13 0.37 -4.88 117.38 117.08 1y3g n GLN 273 Ca -0.04 0.04 -0.02 0.00 -1.94 0.00 0.00 57.00 55.04 1y3g n GLN 273 Cb 0.69 -1.27 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 1y3g n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1y3g n TYR 274 N -2.67 0.00 -2.56 1.08 4.01 -0.67 -5.04 117.16 111.32 1y3g n TYR 274 Ca -0.21 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.19 1y3g n TYR 274 Cb 0.79 -0.26 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1y3g n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1y3g s LEU 275 N -4.24 3.87 0.29 7.72 1.02 0.02 -4.98 118.68 122.39 1y3g s LEU 275 Ca -0.03 1.92 0.05 0.00 0.02 0.00 0.00 54.13 56.09 1y3g s LEU 275 Cb 0.02 -4.53 -0.06 0.00 0.02 0.00 0.00 46.19 41.64 1y3g s LEU 275 CO 0.25 -0.73 0.01 0.42 0.02 0.00 0.00 176.35 176.31 1y3g s THR 276 N -1.96 1.32 0.53 5.49 -4.23 -1.26 -4.57 115.64 110.94 1y3g s THR 276 Ca 0.66 -2.05 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 1y3g s THR 276 Cb -0.16 -2.59 0.41 0.00 1.34 0.00 0.00 72.50 71.50 1y3g s THR 276 CO 0.20 -0.17 1.97 -0.65 -0.54 0.00 0.00 174.62 175.43 1y3g h PRO 277 N 2.24 0.02 -0.34 3.99 0.11 -1.47 -2.23 132.00 134.32 1y3g h PRO 277 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1y3g h PRO 277 Cb 1.24 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1y3g h PRO 277 CO 0.68 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1y3g n THR 278 N -4.36 1.82 -1.74 -1.15 -2.24 -1.26 -0.59 114.28 104.75 1y3g n THR 278 Ca 0.11 -1.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.00 1y3g n THR 278 Cb 0.66 0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1y3g n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1y3g n SER 279 N 0.04 3.00 -4.87 3.42 7.64 -0.84 -4.85 113.62 117.16 1y3g n SER 279 Ca 0.19 1.09 -0.29 0.00 1.01 0.00 0.00 58.87 60.87 1y3g n SER 279 Cb 0.74 -1.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1y3g n SER 279 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1y3g s ASN 280 N -0.57 4.47 0.16 6.43 2.20 -1.26 -3.55 114.94 122.82 1y3g s ASN 280 Ca 0.63 -1.42 -0.19 0.00 -0.94 0.00 0.00 52.86 50.94 1y3g s ASN 280 Cb -0.46 0.58 0.07 0.00 -2.00 0.00 0.00 41.25 39.44 1y3g s ASN 280 CO 0.56 -1.09 1.66 -0.26 -2.94 0.00 0.00 177.10 175.03 1y3g h PHE 281 N 0.88 -0.34 -1.00 1.54 -1.00 -1.96 0.40 116.94 115.45 1y3g h PHE 281 Ca -0.39 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.46 1y3g h PHE 281 Cb 1.31 0.21 -0.05 0.00 3.61 0.00 0.00 35.95 41.03 1y3g h PHE 281 CO 1.22 -0.22 0.66 1.03 -1.61 0.00 0.00 178.31 179.40 1y3g h SER 282 N -0.08 1.12 -0.20 2.17 0.87 -1.94 0.14 113.55 115.62 1y3g h SER 282 Ca 0.17 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1y3g h SER 282 Cb 0.35 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1y3g h SER 282 CO -0.40 0.78 -0.12 1.56 -0.53 0.00 0.00 176.83 178.12 1y3g h GLN 283 N 1.31 0.59 -0.87 2.24 4.20 -1.53 -2.20 115.11 118.86 1y3g h GLN 283 Ca 0.39 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1y3g h GLN 283 Cb -0.06 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 1y3g h GLN 283 CO -0.11 0.70 0.52 1.25 -0.67 0.00 0.00 178.83 180.53 1y3g h LEU 284 N 0.54 1.04 -0.34 1.46 6.46 0.12 -1.21 115.31 123.38 1y3g h LEU 284 Ca 0.10 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1y3g h LEU 284 Cb 0.53 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1y3g h LEU 284 CO 0.03 0.80 0.22 -0.09 -0.62 0.00 0.00 178.44 178.78 1y3g h ARG 285 N 1.19 0.44 -0.62 1.25 2.43 -0.42 -0.23 114.38 118.42 1y3g h ARG 285 Ca 0.31 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.39 1y3g h ARG 285 Cb -0.05 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1y3g h ARG 285 CO -0.06 0.29 0.11 0.00 -1.51 0.00 0.00 179.97 178.80 1y3g h ALA 286 N 1.13 1.02 -0.60 2.80 0.00 -1.10 -1.91 119.26 120.60 1y3g h ALA 286 Ca 0.13 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1y3g h ALA 286 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1y3g h ALA 286 CO -0.03 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.93 1y3g h ALA 287 N 1.17 0.80 -0.24 0.00 0.00 -0.88 -0.98 119.26 119.13 1y3g h ALA 287 Ca 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y3g h ALA 287 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1y3g h ALA 287 CO 0.01 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.86 1y3g h ALA 288 N 1.01 0.32 -0.06 0.00 0.00 -0.78 -1.18 119.26 118.57 1y3g h ALA 288 Ca 0.18 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1y3g h ALA 288 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y3g h ALA 288 CO 0.01 0.01 -0.47 -0.24 0.00 0.00 0.00 179.25 178.56 1y3g h VAL 289 N 0.21 1.34 -0.58 0.00 3.04 -1.28 -1.39 116.25 117.58 1y3g h VAL 289 Ca 0.07 -1.66 -0.05 0.00 -1.01 0.00 0.00 66.70 64.06 1y3g h VAL 289 Cb 0.33 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 1y3g h VAL 289 CO 0.01 0.49 0.17 -0.61 -1.01 0.00 0.00 177.57 176.61 1y3g h GLN 290 N 0.13 0.90 0.14 4.17 5.75 -1.03 -0.02 115.11 125.15 1y3g h GLN 290 Ca 0.01 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1y3g h GLN 290 Cb 0.88 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.31 1y3g h GLN 290 CO 0.07 0.82 -0.07 0.77 -2.65 0.00 0.00 178.83 177.77 1y3g h SER 291 N 0.82 -0.16 -0.76 -0.69 0.02 -0.92 0.79 113.55 112.65 1y3g h SER 291 Ca 0.19 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 1y3g h SER 291 Cb 0.30 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.81 1y3g h SER 291 CO -0.00 0.01 0.41 0.00 -1.14 0.00 0.00 176.83 176.11 1y3g h ALA 292 N 0.51 1.07 0.00 3.77 0.00 -1.15 0.67 119.26 124.13 1y3g h ALA 292 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1y3g h ALA 292 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y3g h ALA 292 CO 0.03 0.02 -0.07 1.15 0.00 0.00 0.00 179.25 180.38 1y3g h THR 293 N 0.69 0.82 -0.63 0.00 2.02 -0.70 1.09 112.91 116.19 1y3g h THR 293 Ca 0.37 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.65 1y3g h THR 293 Cb 0.36 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 1y3g h THR 293 CO -0.26 0.00 0.23 0.44 0.37 0.00 0.00 175.52 176.31 1y3g h ASP 294 N -0.12 0.22 -0.01 4.18 3.32 0.01 0.27 116.42 124.29 1y3g h ASP 294 Ca 0.03 0.08 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1y3g h ASP 294 Cb 0.16 0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.79 1y3g h ASP 294 CO -0.07 0.13 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.01 1y3g h LEU 295 N 0.41 0.45 -1.10 1.55 4.07 -0.37 -3.41 115.31 116.91 1y3g h LEU 295 Ca 0.32 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1y3g h LEU 295 Cb 0.42 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1y3g h LEU 295 CO -0.33 1.14 0.00 -1.22 -1.08 0.00 0.00 178.44 176.96 1y3g n TYR 296 N -4.30 0.00 0.00 1.13 4.01 0.37 -5.08 117.16 113.29 1y3g n TYR 296 Ca -0.10 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1y3g n TYR 296 Cb 0.62 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 1y3g n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1y3g n GLY 297 N -0.07 -0.31 0.27 2.72 0.00 0.95 -4.27 105.19 104.48 1y3g n GLY 297 Ca 0.00 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.66 1y3g n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y3g h SER 298 N 0.00 0.00 -0.61 1.61 4.64 -1.90 -1.85 113.55 115.44 1y3g h SER 298 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y3g h SER 298 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y3g h SER 298 CO 0.00 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 1y3g n THR 299 N -4.20 0.82 -1.75 2.95 -2.24 -1.26 -4.85 114.28 103.74 1y3g n THR 299 Ca -0.03 -0.84 -0.32 0.00 -2.27 0.00 0.00 64.05 60.58 1y3g n THR 299 Cb 0.10 0.49 0.04 0.00 -2.10 0.00 0.00 70.33 68.86 1y3g n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1y3g s SER 300 N -1.06 5.26 0.33 3.42 1.04 -0.70 -4.94 113.70 117.05 1y3g s SER 300 Ca 0.43 1.87 0.05 0.00 0.48 0.00 0.00 55.95 58.78 1y3g s SER 300 Cb 0.23 -2.53 0.59 0.00 0.10 0.00 0.00 66.02 64.40 1y3g s SER 300 CO 0.30 -1.52 1.84 -0.61 0.98 0.00 0.00 173.24 174.23 1y3g h GLN 301 N -0.10 0.45 -0.31 4.02 5.75 -1.90 -2.38 115.11 120.64 1y3g h GLN 301 Ca -0.46 -0.12 0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1y3g h GLN 301 Cb 1.23 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.70 1y3g h GLN 301 CO 0.55 0.56 0.14 0.93 -2.65 0.00 0.00 178.83 178.35 1y3g h GLU 302 N 0.43 0.28 -0.62 1.69 3.07 -1.92 0.37 114.58 117.88 1y3g h GLU 302 Ca 0.08 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 1y3g h GLU 302 Cb 0.43 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1y3g h GLU 302 CO 0.02 0.19 0.32 0.28 -1.40 0.00 0.00 179.01 178.42 1y3g h VAL 303 N 0.29 1.21 -0.10 3.13 2.07 -1.78 -1.68 116.25 119.38 1y3g h VAL 303 Ca 0.13 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1y3g h VAL 303 Cb 0.07 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1y3g h VAL 303 CO -0.11 0.24 -0.07 0.00 0.02 0.00 0.00 177.57 177.64 1y3g h ALA 304 N 1.14 0.01 -0.34 1.67 0.00 -0.83 -1.58 119.26 119.34 1y3g h ALA 304 Ca 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1y3g h ALA 304 Cb 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1y3g h ALA 304 CO -0.03 -0.53 0.00 0.77 0.00 0.00 0.00 179.25 179.46 1y3g h SER 305 N -0.08 0.49 -0.53 0.00 0.02 -0.10 -1.37 113.55 111.97 1y3g h SER 305 Ca 0.07 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1y3g h SER 305 Cb 0.18 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1y3g h SER 305 CO -0.16 0.55 0.17 0.58 -1.14 0.00 0.00 176.83 176.84 1y3g h VAL 306 N 0.50 1.23 -0.11 2.27 2.07 -0.81 -1.86 116.25 119.54 1y3g h VAL 306 Ca 0.11 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1y3g h VAL 306 Cb 0.32 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1y3g h VAL 306 CO 0.01 0.29 0.05 0.11 0.02 0.00 0.00 177.57 178.04 1y3g h LYS 307 N 0.73 0.16 -0.75 1.57 1.57 -0.84 -2.30 116.57 116.71 1y3g h LYS 307 Ca 0.17 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1y3g h LYS 307 Cb 0.27 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1y3g h LYS 307 CO -0.01 0.26 0.49 1.96 -0.57 0.00 0.00 179.45 181.59 1y3g h GLN 308 N 0.03 0.95 -0.23 3.15 1.08 -1.23 -0.06 115.11 118.81 1y3g h GLN 308 Ca 0.04 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1y3g h GLN 308 Cb 0.16 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1y3g h GLN 308 CO -0.00 0.63 0.10 0.00 -0.95 0.00 0.00 178.83 178.60 1y3g h ALA 309 N 1.30 0.26 -0.38 3.87 0.00 -1.19 0.47 119.26 123.59 1y3g h ALA 309 Ca 0.29 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1y3g h ALA 309 Cb -0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1y3g h ALA 309 CO -0.08 -0.32 -0.20 0.74 0.00 0.00 0.00 179.25 179.39 1y3g h PHE 310 N 0.21 0.82 -0.50 0.00 0.04 -1.21 -2.43 116.94 113.87 1y3g h PHE 310 Ca 0.09 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1y3g h PHE 310 Cb 0.04 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1y3g h PHE 310 CO -0.11 0.87 0.31 -0.44 -0.60 0.00 0.00 178.31 178.35 1y3g h ASP 311 N 0.64 0.53 -0.83 2.17 3.32 -0.48 0.74 116.42 122.51 1y3g h ASP 311 Ca 0.09 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.22 1y3g h ASP 311 Cb 0.69 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1y3g h ASP 311 CO 0.05 0.38 0.54 0.00 -1.72 0.00 0.00 179.24 178.49 1y3g h ALA 312 N 1.20 1.64 -0.41 3.45 0.00 0.38 -0.75 119.26 124.78 1y3g h ALA 312 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y3g h ALA 312 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1y3g h ALA 312 CO -0.07 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.73 1y3g n VAL 313 N -4.50 0.55 -2.26 0.00 0.24 -0.97 -4.74 118.33 106.66 1y3g n VAL 313 Ca 0.13 -0.57 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1y3g n VAL 313 Cb 0.25 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.94 1y3g n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1y3g n GLY 314 N 1.20 -0.01 3.30 7.63 0.00 -0.29 -0.00 105.19 117.02 1y3g n GLY 314 Ca 0.15 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1y3g n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y3g s VAL 315 N -2.55 4.17 -1.52 1.61 1.01 0.20 -4.60 120.40 118.73 1y3g s VAL 315 Ca 0.02 -1.18 0.12 0.00 0.00 0.00 0.00 61.98 60.95 1y3g s VAL 315 Cb -0.01 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1y3g s VAL 315 CO 0.03 -0.33 0.88 0.29 0.00 0.00 0.00 175.10 175.97