#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wya s MET 50 N 0.00 4.29 0.59 4.33 -2.45 -1.26 -4.96 119.30 119.84 2wya s MET 50 Ca 0.00 2.25 -0.20 0.00 -1.25 0.00 0.00 55.69 56.49 2wya s MET 50 Cb 0.00 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 2wya s MET 50 CO 0.00 -0.40 1.30 -0.35 1.05 0.00 0.00 175.02 176.62 2wya n PRO 51 N 2.53 1.38 -3.54 4.11 -0.04 -1.26 -4.99 135.00 133.20 2wya n PRO 51 Ca 0.07 0.52 -0.31 0.00 -0.04 0.00 0.00 63.50 63.74 2wya n PRO 51 Cb 0.41 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 2wya n PRO 51 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2wya s LYS 52 N -3.07 3.70 -1.45 0.54 -0.14 -1.26 -4.52 119.74 113.55 2wya s LYS 52 Ca 0.77 0.08 -0.06 0.00 -1.36 0.00 0.00 55.97 55.39 2wya s LYS 52 Cb -0.40 -2.74 0.04 0.00 -1.68 0.00 0.00 37.83 33.05 2wya s LYS 52 CO 0.45 0.38 0.73 -0.25 -0.76 0.00 0.00 175.35 175.91 2wya n ASP 53 N -0.08 -2.35 -4.73 2.83 8.00 -1.26 -0.58 116.55 118.37 2wya n ASP 53 Ca -0.01 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 2wya n ASP 53 Cb 0.52 -3.63 -0.02 0.00 -0.02 0.00 0.00 41.12 37.97 2wya n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wya s VAL 54 N -3.58 2.03 -1.70 2.53 1.01 -1.26 -0.87 120.40 118.55 2wya s VAL 54 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2wya s VAL 54 Cb -0.15 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2wya s VAL 54 CO 0.85 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.56 2wya n GLY 55 N 3.27 -0.56 3.66 4.51 0.00 -0.58 -1.49 105.19 114.00 2wya n GLY 55 Ca 0.13 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2wya n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wya s ILE 56 N -3.14 4.91 -0.19 -0.61 1.01 -0.36 -1.57 121.20 121.24 2wya s ILE 56 Ca 0.00 1.50 0.16 0.00 0.00 0.00 0.00 60.65 62.31 2wya s ILE 56 Cb 0.00 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.14 2wya s ILE 56 CO 0.00 0.03 0.09 0.18 0.00 0.00 0.00 174.94 175.23 2wya n LEU 57 N 5.36 0.28 -3.65 2.97 4.77 0.29 -3.36 117.00 123.66 2wya n LEU 57 Ca 0.03 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 2wya n LEU 57 Cb 0.49 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.87 2wya n LEU 57 CO 0.47 0.53 0.21 0.00 -1.33 0.00 0.00 177.39 177.27 2wya s ALA 58 N -2.50 -1.24 -0.06 -1.18 0.00 -1.20 -4.68 121.76 110.90 2wya s ALA 58 Ca -0.11 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 52.61 2wya s ALA 58 Cb 0.06 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2wya s ALA 58 CO 0.81 -0.31 0.16 -1.17 0.00 0.00 0.00 175.76 175.25 2wya s LEU 59 N -1.22 1.00 -0.03 0.00 0.20 -1.26 -1.01 118.68 116.36 2wya s LEU 59 Ca -0.12 0.32 0.04 0.00 0.69 0.00 0.00 54.13 55.06 2wya s LEU 59 Cb -0.03 0.46 -0.00 0.00 -0.43 0.00 0.00 46.19 46.19 2wya s LEU 59 CO 0.07 -0.11 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.18 2wya s GLU 60 N 0.70 1.37 0.03 1.98 2.56 0.09 -4.93 118.70 120.49 2wya s GLU 60 Ca -0.05 -0.48 0.08 0.00 0.00 0.00 0.00 54.97 54.52 2wya s GLU 60 Cb -0.07 -1.24 -0.02 0.00 2.00 0.00 0.00 34.13 34.80 2wya s GLU 60 CO -0.04 0.21 -0.25 0.54 -0.56 0.00 0.00 175.26 175.17 2wya s VAL 61 N 0.01 1.97 -0.03 3.70 0.11 -1.26 -1.21 120.40 123.69 2wya s VAL 61 Ca -0.02 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 57.84 2wya s VAL 61 Cb -0.09 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2wya s VAL 61 CO 0.01 0.39 -0.16 -0.47 -3.33 0.00 0.00 175.10 171.54 2wya s TYR 62 N -0.73 1.55 0.03 1.54 5.04 0.23 -5.00 117.35 120.02 2wya s TYR 62 Ca 0.10 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.30 2wya s TYR 62 Cb -0.10 -1.04 -0.01 0.00 0.35 0.00 0.00 41.96 41.16 2wya s TYR 62 CO 0.01 -0.11 0.06 -0.59 -1.34 0.00 0.00 175.55 173.58 2wya s PHE 63 N -0.08 0.23 0.96 4.97 -0.12 -1.26 -1.10 117.98 121.58 2wya s PHE 63 Ca -0.00 -0.54 -0.12 0.00 -0.05 0.00 0.00 56.93 56.22 2wya s PHE 63 Cb -0.10 -0.17 0.17 0.00 -0.63 0.00 0.00 43.02 42.29 2wya s PHE 63 CO 0.01 -0.33 1.09 -1.25 -0.05 0.00 0.00 175.22 174.69 2wya s PRO 64 N -2.46 0.69 -0.03 1.99 0.04 -1.26 -4.93 135.00 129.04 2wya s PRO 64 Ca -0.06 0.74 0.10 0.00 0.04 0.00 0.00 61.00 61.82 2wya s PRO 64 Cb -0.02 -1.75 0.36 0.00 0.04 0.00 0.00 34.50 33.13 2wya s PRO 64 CO -0.04 -2.61 1.24 0.00 0.04 0.00 0.00 177.00 175.64 2wya n ALA 65 N -4.12 2.65 -2.86 8.56 0.00 -1.26 -4.85 120.51 118.63 2wya n ALA 65 Ca 0.06 -0.75 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 2wya n ALA 65 Cb 0.56 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 2wya n ALA 65 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wya s GLN 66 N -1.60 0.59 0.13 0.00 0.00 -1.26 -1.02 119.66 116.49 2wya s GLN 66 Ca 0.26 -0.63 -0.05 0.00 -0.00 0.00 0.00 55.36 54.94 2wya s GLN 66 Cb 0.15 0.24 -0.02 0.00 0.00 0.00 0.00 33.01 33.38 2wya s GLN 66 CO 0.15 -0.15 0.15 1.52 0.00 0.00 0.00 175.29 176.96 2wya s TYR 67 N -2.27 0.55 -0.09 9.60 -0.85 -0.80 -3.14 117.35 120.35 2wya s TYR 67 Ca -0.08 -0.95 -0.01 0.00 -0.52 0.00 0.00 57.07 55.52 2wya s TYR 67 Cb -0.03 -0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 2wya s TYR 67 CO -0.03 -0.59 -0.05 0.54 -1.52 0.00 0.00 175.55 173.91 2wya s VAL 68 N -3.98 3.89 0.07 -3.49 0.11 -0.14 -0.83 120.40 116.03 2wya s VAL 68 Ca 0.17 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 2wya s VAL 68 Cb 0.06 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 32.24 2wya s VAL 68 CO -0.02 0.59 0.97 -0.62 -3.33 0.00 0.00 175.10 172.69 2wya s ASP 69 N -0.66 7.45 0.25 3.54 2.15 -1.26 -1.22 116.67 126.92 2wya s ASP 69 Ca 0.10 1.75 -0.01 0.00 0.43 0.00 0.00 52.55 54.82 2wya s ASP 69 Cb -0.12 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.22 2wya s ASP 69 CO 0.02 -0.14 1.68 1.56 -0.17 0.00 0.00 175.17 178.12 2wya h GLN 70 N 6.00 0.64 -0.64 4.34 1.08 -1.45 0.40 115.11 125.48 2wya h GLN 70 Ca -0.42 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 56.51 2wya h GLN 70 Cb 1.21 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.58 2wya h GLN 70 CO 0.73 0.81 0.33 1.15 -0.95 0.00 0.00 178.83 180.91 2wya h THR 71 N 0.56 1.21 -0.76 -0.54 2.02 -1.89 0.90 112.91 114.42 2wya h THR 71 Ca 0.08 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 2wya h THR 71 Cb 0.69 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2wya h THR 71 CO 0.05 0.24 0.36 0.44 0.37 0.00 0.00 175.52 176.98 2wya h ASP 72 N 0.88 1.00 -0.38 4.18 3.32 -1.86 -2.67 116.42 120.88 2wya h ASP 72 Ca 0.22 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2wya h ASP 72 Cb 0.07 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2wya h ASP 72 CO -0.03 0.85 0.01 0.25 -1.72 0.00 0.00 179.24 178.60 2wya h LEU 73 N 1.07 0.73 -0.16 1.55 5.85 -0.29 -0.12 115.31 123.94 2wya h LEU 73 Ca 0.26 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2wya h LEU 73 Cb 0.13 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2wya h LEU 73 CO -0.03 0.79 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.49 2wya h GLU 74 N 0.71 0.00 -0.60 1.25 5.08 -0.52 0.04 114.58 120.54 2wya h GLU 74 Ca 0.14 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2wya h GLU 74 Cb 0.43 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2wya h GLU 74 CO 0.02 0.00 0.10 0.87 -1.00 0.00 0.00 179.01 178.99 2wya h LYS 75 N 0.00 1.00 -0.80 2.33 1.57 -1.13 -1.14 116.57 118.40 2wya h LYS 75 Ca 0.07 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2wya h LYS 75 Cb 0.11 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2wya h LYS 75 CO -0.16 0.94 0.36 -0.92 -0.57 0.00 0.00 179.45 179.10 2wya h TYR 76 N 0.90 1.17 -0.02 -1.35 3.20 -0.81 -2.17 116.97 117.89 2wya h TYR 76 Ca 0.18 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2wya h TYR 76 Cb 0.43 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2wya h TYR 76 CO 0.03 0.87 0.00 0.09 -1.64 0.00 0.00 178.16 177.51 2wya n ASN 77 N -4.30 0.77 -3.75 -2.11 3.02 -0.02 -4.92 115.26 103.95 2wya n ASN 77 Ca 0.08 -1.30 -0.27 0.00 -0.03 0.00 0.00 54.58 53.06 2wya n ASN 77 Cb 0.16 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.37 2wya n ASN 77 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2wya n ASN 78 N -0.38 -5.09 -4.94 6.41 5.03 -0.57 -5.00 115.26 110.71 2wya n ASN 78 Ca 0.21 -0.68 -0.19 0.00 0.87 0.00 0.00 54.58 54.78 2wya n ASN 78 Cb 0.23 -4.41 -0.01 0.00 -1.02 0.00 0.00 39.78 34.56 2wya n ASN 78 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 2wya s VAL 79 N -3.34 3.23 0.39 2.41 -7.23 -0.54 -5.04 120.40 110.29 2wya s VAL 79 Ca 0.56 -1.16 -0.28 0.00 -1.81 0.00 0.00 61.98 59.30 2wya s VAL 79 Cb -0.27 -3.12 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 2wya s VAL 79 CO 0.78 -0.06 1.49 -1.61 -0.31 0.00 0.00 175.10 175.39 2wya s GLU 80 N -4.19 4.02 0.20 4.82 2.02 -1.26 -4.63 118.70 119.68 2wya s GLU 80 Ca 0.49 2.57 -0.33 0.00 0.02 0.00 0.00 54.97 57.72 2wya s GLU 80 Cb -0.07 -2.91 -0.13 0.00 0.10 0.00 0.00 34.13 31.12 2wya s GLU 80 CO 0.30 -0.61 1.53 0.00 0.02 0.00 0.00 175.26 176.50 2wya n ALA 81 N 0.32 1.46 0.00 5.21 0.00 -1.26 -1.98 120.51 124.26 2wya n ALA 81 Ca 0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wya n ALA 81 Cb 0.39 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2wya n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 82 N 2.91 1.07 0.33 0.00 0.00 -1.26 -4.93 105.19 103.31 2wya n GLY 82 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2wya n GLY 82 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wya h LYS 83 N 3.31 0.87 0.07 1.61 3.64 -1.77 0.27 116.57 124.57 2wya h LYS 83 Ca 0.00 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 2wya h LYS 83 Cb 0.00 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 2wya h LYS 83 CO 0.00 0.57 -1.68 0.66 -2.27 0.00 0.00 179.45 176.73 2wya n TYR 84 N -4.68 1.14 0.12 1.91 4.01 -1.26 -2.14 117.16 116.26 2wya n TYR 84 Ca 0.16 0.34 -0.02 0.00 -0.16 0.00 0.00 57.90 58.22 2wya n TYR 84 Cb 0.31 -1.13 0.14 0.00 -0.31 0.00 0.00 39.34 38.35 2wya n TYR 84 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wya h THR 85 N -0.42 1.45 0.00 -0.72 1.35 -1.60 -1.19 112.91 111.78 2wya h THR 85 Ca -0.40 -2.18 -0.30 0.00 -0.55 0.00 0.00 66.41 62.99 2wya h THR 85 Cb 1.71 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 70.25 2wya h THR 85 CO -0.05 0.63 -1.99 0.52 -0.25 0.00 0.00 175.52 174.37 2wya n VAL 86 N -3.79 0.98 -0.01 6.82 0.31 0.76 -3.46 118.33 119.94 2wya n VAL 86 Ca -0.01 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 63.95 2wya n VAL 86 Cb 0.64 -1.67 -0.05 0.00 -0.91 0.00 0.00 33.84 31.85 2wya n VAL 86 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wya h GLY 87 N -0.43 0.18 0.62 2.92 0.00 -0.56 -3.07 103.07 102.73 2wya h GLY 87 Ca -0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2wya h GLY 87 CO -0.25 0.07 -1.41 1.04 0.00 0.00 0.00 176.54 175.99 2wya n LEU 88 N -4.99 0.53 -0.16 3.11 4.77 -0.91 -4.73 117.00 114.62 2wya n LEU 88 Ca -0.05 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 2wya n LEU 88 Cb 0.04 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wya n LEU 88 CO 0.34 -0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 176.90 2wya n GLY 89 N 1.23 0.39 3.64 -0.72 0.00 -0.61 -1.21 105.19 107.92 2wya n GLY 89 Ca -0.03 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 2wya n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wya s GLN 90 N -3.21 2.83 -0.14 1.61 -1.52 -0.55 -4.44 119.66 114.22 2wya s GLN 90 Ca 0.00 -0.53 -0.07 0.00 -1.95 0.00 0.00 55.36 52.81 2wya s GLN 90 Cb 0.00 -2.68 -0.06 0.00 -0.22 0.00 0.00 33.01 30.05 2wya s GLN 90 CO 0.00 0.66 -0.19 2.41 -0.25 0.00 0.00 175.29 177.93 2wya n THR 91 N 1.94 0.81 -3.95 -0.19 -1.04 0.13 -3.61 114.28 108.35 2wya n THR 91 Ca -0.17 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.05 61.54 2wya n THR 91 Cb 0.53 -1.70 -0.12 0.00 -1.82 0.00 0.00 70.33 67.22 2wya n THR 91 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wya s ARG 92 N -2.27 0.26 -0.17 -2.82 0.52 -0.52 -1.18 118.95 112.77 2wya s ARG 92 Ca -0.20 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.53 2wya s ARG 92 Cb 0.08 0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.66 2wya s ARG 92 CO 0.26 -0.04 -0.19 1.41 0.02 0.00 0.00 175.30 176.75 2wya s MET 93 N -1.18 2.91 0.48 3.54 -2.45 -0.36 -2.35 119.30 119.89 2wya s MET 93 Ca -0.13 -0.80 -0.20 0.00 -1.25 0.00 0.00 55.69 53.31 2wya s MET 93 Cb -0.08 -2.50 -0.09 0.00 1.25 0.00 0.00 34.83 33.41 2wya s MET 93 CO -0.01 -0.19 1.02 0.20 1.05 0.00 0.00 175.02 177.09 2wya s GLY 94 N 1.27 2.48 0.12 2.11 0.00 0.18 -0.96 107.32 112.50 2wya s GLY 94 Ca 0.04 0.56 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 2wya s GLY 94 CO -0.12 0.87 0.42 -0.11 0.00 0.00 0.00 173.10 174.17 2wya s PHE 95 N -2.03 -0.24 -0.01 1.90 -0.12 -1.19 -3.79 117.98 112.51 2wya s PHE 95 Ca 0.66 -0.03 0.08 0.00 -0.05 0.00 0.00 56.93 57.59 2wya s PHE 95 Cb -0.15 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2wya s PHE 95 CO 0.19 -0.70 -0.25 0.00 -0.05 0.00 0.00 175.22 174.42 2wya s SER 97 N -0.80 2.71 0.00 0.00 1.04 -1.26 -4.93 113.70 110.46 2wya s SER 97 Ca 0.11 0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.88 2wya s SER 97 Cb -0.10 -0.30 0.33 0.00 0.10 0.00 0.00 66.02 66.05 2wya s SER 97 CO 0.00 -2.99 1.24 1.33 0.98 0.00 0.00 173.24 173.80 2wya n VAL 98 N -3.94 1.44 0.36 5.02 0.24 -1.26 -2.03 118.33 118.16 2wya n VAL 98 Ca 0.16 0.36 0.13 0.00 -2.04 0.00 0.00 64.34 62.95 2wya n VAL 98 Cb 0.59 -1.23 0.56 0.00 -1.47 0.00 0.00 33.84 32.29 2wya n VAL 98 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 2wya h GLN 99 N 0.00 0.00 -6.56 7.34 4.15 -1.88 -3.43 115.11 114.73 2wya h GLN 99 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 2wya h GLN 99 Cb 0.13 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 27.55 2wya h GLN 99 CO 0.00 0.00 -0.87 -1.21 -1.93 0.00 0.00 178.83 174.82 2wya s GLU 100 N -3.43 1.73 0.29 1.69 2.02 -0.86 -0.47 118.70 119.67 2wya s GLU 100 Ca 0.03 -1.05 0.05 0.00 0.02 0.00 0.00 54.97 54.03 2wya s GLU 100 Cb 0.09 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 2wya s GLU 100 CO 0.42 0.49 0.28 -0.40 0.02 0.00 0.00 175.26 176.07 2wya n ASP 101 N 1.88 -0.74 -0.16 -0.19 5.68 -1.26 -4.80 116.55 116.95 2wya n ASP 101 Ca -0.17 -2.87 0.01 0.00 -0.50 0.00 0.00 54.79 51.27 2wya n ASP 101 Cb 0.52 1.62 0.29 0.00 -1.14 0.00 0.00 41.12 42.41 2wya n ASP 101 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wya h ILE 102 N 1.93 1.17 -0.27 2.12 6.09 -1.97 -0.57 117.51 126.01 2wya h ILE 102 Ca -0.21 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 62.93 2wya h ILE 102 Cb 1.05 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 2wya h ILE 102 CO 0.30 0.17 0.11 0.78 -3.07 0.00 0.00 178.15 176.44 2wya h ASN 103 N 0.90 0.37 -0.17 2.19 2.35 -1.96 -2.08 115.58 117.18 2wya h ASN 103 Ca 0.24 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 2wya h ASN 103 Cb -0.09 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2wya h ASN 103 CO -0.05 0.44 -0.31 0.77 -1.65 0.00 0.00 177.43 176.63 2wya h SER 104 N 0.28 0.69 -0.40 5.81 4.64 -1.71 0.11 113.55 122.98 2wya h SER 104 Ca 0.09 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2wya h SER 104 Cb 0.18 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2wya h SER 104 CO -0.01 0.95 0.23 -0.07 -0.87 0.00 0.00 176.83 177.07 2wya h LEU 105 N 0.57 0.37 -0.22 5.97 4.07 -1.05 -0.82 115.31 124.19 2wya h LEU 105 Ca 0.07 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.86 2wya h LEU 105 Cb 0.81 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.49 2wya h LEU 105 CO 0.07 0.27 -0.54 0.00 -1.08 0.00 0.00 178.44 177.15 2wya h LEU 107 N 0.48 0.39 0.13 0.00 3.38 -0.69 -1.58 115.31 117.41 2wya h LEU 107 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wya h LEU 107 Cb 1.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2wya h LEU 107 CO 0.12 0.24 -0.06 0.74 0.09 0.00 0.00 178.44 179.57 2wya h THR 108 N 0.54 0.90 -0.21 0.22 2.02 -0.94 -1.09 112.91 114.35 2wya h THR 108 Ca 0.31 -0.10 -0.15 0.00 0.77 0.00 0.00 66.41 67.25 2wya h THR 108 Cb 0.31 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2wya h THR 108 CO -0.25 0.02 -0.47 1.62 0.37 0.00 0.00 175.52 176.81 2wya h VAL 109 N -0.21 1.31 -0.17 3.16 3.04 -1.23 -1.49 116.25 120.65 2wya h VAL 109 Ca -0.02 -1.68 -0.04 0.00 -1.01 0.00 0.00 66.70 63.95 2wya h VAL 109 Cb 0.17 1.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2wya h VAL 109 CO 0.03 0.53 -0.05 0.58 -1.01 0.00 0.00 177.57 177.64 2wya h VAL 110 N 0.45 1.30 -0.36 1.51 2.07 -1.23 -1.95 116.25 118.04 2wya h VAL 110 Ca 0.02 -1.04 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 2wya h VAL 110 Cb 1.00 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 2wya h VAL 110 CO 0.09 0.31 -0.23 -0.61 0.02 0.00 0.00 177.57 177.15 2wya h GLN 111 N 0.02 0.70 -0.42 1.57 4.15 -1.15 -1.26 115.11 118.73 2wya h GLN 111 Ca 0.04 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 2wya h GLN 111 Cb 0.50 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 2wya h GLN 111 CO 0.02 0.87 0.23 -0.09 -1.93 0.00 0.00 178.83 177.92 2wya h ARG 112 N 0.62 0.59 -0.09 1.69 2.43 -1.26 -0.37 114.38 117.98 2wya h ARG 112 Ca 0.09 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2wya h ARG 112 Cb 0.72 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2wya h ARG 112 CO 0.06 0.48 0.00 1.25 -1.51 0.00 0.00 179.97 180.25 2wya h LEU 113 N 0.55 -0.03 -0.70 3.80 5.85 -1.05 -1.31 115.31 122.42 2wya h LEU 113 Ca 0.15 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2wya h LEU 113 Cb 0.07 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2wya h LEU 113 CO -0.02 -0.00 0.46 0.24 -0.34 0.00 0.00 178.44 178.78 2wya h MET 114 N 0.03 0.92 -0.41 1.25 2.86 -0.95 -2.31 114.93 116.31 2wya h MET 114 Ca 0.04 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2wya h MET 114 Cb 0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 2wya h MET 114 CO -0.07 0.61 -0.13 0.93 1.06 0.00 0.00 176.91 179.30 2wya h GLU 115 N 0.94 0.82 -0.56 1.72 5.08 -0.96 0.11 114.58 121.73 2wya h GLU 115 Ca 0.25 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2wya h GLU 115 Cb -0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2wya h GLU 115 CO -0.05 0.96 0.23 -0.09 -1.00 0.00 0.00 179.01 179.06 2wya h ARG 116 N 0.64 0.84 -0.42 2.33 2.43 -0.93 -2.84 114.38 116.43 2wya h ARG 116 Ca 0.10 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wya h ARG 116 Cb 0.68 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2wya h ARG 116 CO 0.05 0.72 0.00 0.44 -1.51 0.00 0.00 179.97 179.66 2wya n ILE 117 N -4.51 0.55 -3.76 1.20 -5.35 -0.90 -4.96 119.36 101.63 2wya n ILE 117 Ca 0.03 -0.76 -0.22 0.00 -0.27 0.00 0.00 62.75 61.53 2wya n ILE 117 Cb 0.15 0.89 0.02 0.00 -1.74 0.00 0.00 39.64 38.96 2wya n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wya n GLN 118 N 1.46 -4.36 -2.54 6.28 6.02 0.22 -4.89 117.38 119.56 2wya n GLN 118 Ca 0.20 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 57.33 2wya n GLN 118 Cb 0.60 -4.99 -0.02 0.00 1.02 0.00 0.00 30.24 26.85 2wya n GLN 118 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2wya s LEU 119 N -6.73 4.22 0.36 1.08 2.96 -0.31 -5.00 118.68 115.27 2wya s LEU 119 Ca 0.02 1.65 -0.28 0.00 -0.22 0.00 0.00 54.13 55.30 2wya s LEU 119 Cb -0.01 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.03 2wya s LEU 119 CO 0.83 -0.60 1.33 -2.84 -1.32 0.00 0.00 176.35 173.76 2wya s PRO 120 N 2.56 4.21 0.44 0.98 0.02 -1.26 -4.90 135.00 137.05 2wya s PRO 120 Ca 0.52 2.25 0.15 0.00 0.02 0.00 0.00 61.00 63.94 2wya s PRO 120 Cb -0.21 -2.96 1.07 0.00 0.02 0.00 0.00 34.50 32.42 2wya s PRO 120 CO 0.17 -0.33 1.97 -1.49 -0.33 0.00 0.00 177.00 176.99 2wya h TRP 121 N 3.11 0.40 -0.06 6.54 6.55 -1.96 -1.79 115.95 128.75 2wya h TRP 121 Ca -0.49 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.36 2wya h TRP 121 Cb 1.23 -0.13 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 2wya h TRP 121 CO 0.55 0.18 0.00 -0.40 -1.05 0.00 0.00 178.44 177.72 2wya n ASP 122 N -4.46 0.64 -0.57 -3.49 5.68 -1.26 -3.71 116.55 109.38 2wya n ASP 122 Ca 0.11 -1.52 0.13 0.00 -0.50 0.00 0.00 54.79 53.00 2wya n ASP 122 Cb 0.42 -0.04 0.25 0.00 -1.14 0.00 0.00 41.12 40.61 2wya n ASP 122 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wya n SER 123 N -0.36 1.94 -4.41 -1.12 3.41 -0.67 -4.85 113.62 107.55 2wya n SER 123 Ca 0.15 -1.51 -0.36 0.00 -0.26 0.00 0.00 58.87 56.89 2wya n SER 123 Cb 0.17 0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.13 2wya n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wya s VAL 124 N -2.22 4.09 -0.47 -3.33 1.01 -1.24 -0.57 120.40 117.67 2wya s VAL 124 Ca 0.28 -0.25 0.14 0.00 0.00 0.00 0.00 61.98 62.15 2wya s VAL 124 Cb 0.20 -2.90 -0.17 0.00 0.00 0.00 0.00 36.38 33.50 2wya s VAL 124 CO 0.42 0.36 0.50 0.61 0.00 0.00 0.00 175.10 176.99 2wya n GLY 125 N 4.90 -0.40 3.07 4.51 0.00 0.04 -4.79 105.19 112.51 2wya n GLY 125 Ca -0.17 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 2wya n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wya s ARG 126 N -2.49 0.22 -0.14 1.61 3.52 -1.19 -1.55 118.95 118.93 2wya s ARG 126 Ca 0.02 0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.86 2wya s ARG 126 Cb 0.10 0.08 0.06 0.00 -1.56 0.00 0.00 34.95 33.63 2wya s ARG 126 CO 0.57 -0.04 0.29 -1.17 -0.81 0.00 0.00 175.30 174.14 2wya s LEU 127 N 0.25 -0.20 -0.10 -0.88 2.96 -0.07 -0.24 118.68 120.39 2wya s LEU 127 Ca -0.01 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2wya s LEU 127 Cb -0.03 0.84 0.03 0.00 0.50 0.00 0.00 46.19 47.54 2wya s LEU 127 CO -0.01 -0.22 0.26 -0.70 -1.32 0.00 0.00 176.35 174.36 2wya s GLU 128 N 2.15 0.29 -0.17 1.98 2.12 -0.99 -3.99 118.70 120.08 2wya s GLU 128 Ca -0.02 0.39 -0.04 0.00 0.36 0.00 0.00 54.97 55.65 2wya s GLU 128 Cb -0.11 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 2wya s GLU 128 CO -0.09 -0.05 -0.02 0.08 -0.54 0.00 0.00 175.26 174.63 2wya s VAL 129 N 0.29 3.92 -0.19 3.70 1.01 -0.38 -1.51 120.40 127.24 2wya s VAL 129 Ca -0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2wya s VAL 129 Cb -0.03 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2wya s VAL 129 CO -0.01 0.47 0.08 -0.83 0.00 0.00 0.00 175.10 174.80 2wya s GLY 130 N 0.63 1.93 0.14 4.51 0.00 0.42 -0.69 107.32 114.25 2wya s GLY 130 Ca -0.02 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 43.71 2wya s GLY 130 CO 0.02 0.09 0.76 -1.08 0.00 0.00 0.00 173.10 172.89 2wya s THR 131 N 0.41 0.00 -0.05 0.90 -1.32 -1.20 -2.63 115.64 111.76 2wya s THR 131 Ca 0.04 -0.31 0.07 0.00 -1.21 0.00 0.00 61.69 60.28 2wya s THR 131 Cb -0.12 -1.36 0.11 0.00 -1.51 0.00 0.00 72.50 69.61 2wya s THR 131 CO -0.00 0.00 0.98 -1.84 -2.21 0.00 0.00 174.62 171.55 2wya n GLU 132 N -0.38 1.32 -3.38 7.08 0.28 -1.26 -4.44 120.64 119.86 2wya n GLU 132 Ca -0.10 -1.66 -0.44 0.00 -0.16 0.00 0.00 57.16 54.79 2wya n GLU 132 Cb 0.62 -1.01 -0.06 0.00 1.43 0.00 0.00 31.44 32.42 2wya n GLU 132 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2wya s THR 133 N -1.36 4.94 -0.27 3.84 2.01 -1.26 -5.00 115.64 118.55 2wya s THR 133 Ca 0.12 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.51 2wya s THR 133 Cb 0.10 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 2wya s THR 133 CO 0.01 -0.82 0.09 -0.63 -0.69 0.00 0.00 174.62 172.59 2wya s ILE 134 N 1.54 4.35 -0.52 1.82 -1.09 -1.26 -4.86 121.20 121.18 2wya s ILE 134 Ca 0.04 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.22 2wya s ILE 134 Cb -0.28 -3.10 0.03 0.00 -1.58 0.00 0.00 42.46 37.53 2wya s ILE 134 CO 0.02 0.25 0.62 2.30 -1.23 0.00 0.00 174.94 176.90 2wya n ILE 135 N 4.93 0.00 -3.71 2.92 -5.35 -1.26 -4.95 119.36 111.95 2wya n ILE 135 Ca -0.15 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 61.72 2wya n ILE 135 Cb 0.51 1.09 -0.11 0.00 -1.74 0.00 0.00 39.64 39.38 2wya n ILE 135 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wya s ASP 136 N -0.38 -0.44 0.21 7.28 2.15 -1.26 -5.05 116.67 119.18 2wya s ASP 136 Ca 0.05 0.78 0.26 0.00 0.43 0.00 0.00 52.55 54.07 2wya s ASP 136 Cb 0.03 0.67 0.85 0.00 -0.30 0.00 0.00 42.92 44.18 2wya s ASP 136 CO 0.05 -0.18 1.77 0.29 -0.17 0.00 0.00 175.17 176.94 2wya n LYS 137 N 4.16 0.24 0.00 4.34 5.02 -1.26 -4.20 118.16 126.46 2wya n LYS 137 Ca -0.23 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wya n LYS 137 Cb 0.55 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2wya n LYS 137 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wya n SER 138 N -2.22 4.45 -4.60 4.39 3.41 -1.26 -5.01 113.62 112.78 2wya n SER 138 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 2wya n SER 138 Cb 0.40 0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.54 2wya n SER 138 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2wya s LYS 139 N -1.99 3.86 0.45 4.33 2.20 -1.26 -5.02 119.74 122.31 2wya s LYS 139 Ca 0.00 0.44 -0.22 0.00 -0.36 0.00 0.00 55.97 55.83 2wya s LYS 139 Cb 0.00 -3.77 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 2wya s LYS 139 CO 0.00 -0.76 1.09 0.00 -0.36 0.00 0.00 175.35 175.32 2wya s ALA 140 N 3.01 2.97 0.33 3.13 0.00 -1.26 -4.68 121.76 125.26 2wya s ALA 140 Ca 0.32 0.76 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2wya s ALA 140 Cb -0.14 -3.31 0.74 0.00 0.00 0.00 0.00 23.12 20.41 2wya s ALA 140 CO 0.15 -0.41 1.84 0.28 0.00 0.00 0.00 175.76 177.61 2wya h VAL 141 N 1.87 0.82 -0.96 0.00 2.07 -1.95 -1.25 116.25 116.85 2wya h VAL 141 Ca -0.49 -0.27 0.24 0.00 0.82 0.00 0.00 66.70 67.00 2wya h VAL 141 Cb 1.23 -0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 2wya h VAL 141 CO 0.60 0.14 0.52 0.50 0.02 0.00 0.00 177.57 179.35 2wya h LYS 142 N 0.78 0.49 -0.37 1.57 1.63 -1.92 -0.41 116.57 118.35 2wya h LYS 142 Ca 0.49 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.16 2wya h LYS 142 Cb 0.72 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 2wya h LYS 142 CO -0.26 0.33 -0.19 1.79 -3.45 0.00 0.00 179.45 177.67 2wya h THR 143 N 0.51 1.26 -0.43 1.00 1.35 -1.60 -2.33 112.91 112.67 2wya h THR 143 Ca 0.61 -1.25 -0.11 0.00 -0.55 0.00 0.00 66.41 65.11 2wya h THR 143 Cb 1.17 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 2wya h THR 143 CO -0.50 0.42 -0.17 0.58 -0.25 0.00 0.00 175.52 175.60 2wya h VAL 144 N 0.62 1.27 0.00 6.82 2.07 -1.14 -2.52 116.25 123.36 2wya h VAL 144 Ca 0.10 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 2wya h VAL 144 Cb 0.66 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2wya h VAL 144 CO 0.05 0.43 -0.01 -0.07 0.02 0.00 0.00 177.57 177.99 2wya h LEU 145 N 0.73 0.00 -2.09 2.57 3.38 -0.65 -1.59 115.31 117.66 2wya h LEU 145 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wya h LEU 145 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2wya h LEU 145 CO 0.05 0.01 0.00 0.24 0.09 0.00 0.00 178.44 178.83 2wya h MET 146 N 0.00 0.00 -0.91 1.13 2.86 -0.98 -0.24 114.93 116.79 2wya h MET 146 Ca -0.00 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 2wya h MET 146 Cb 0.15 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 2wya h MET 146 CO 0.00 0.00 0.68 0.93 1.06 0.00 0.00 176.91 179.58 2wya h GLU 147 N 0.00 0.00 0.00 1.72 4.39 -1.44 0.18 114.58 119.43 2wya h GLU 147 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wya h GLU 147 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2wya h GLU 147 CO 0.00 0.00 -0.26 -0.07 -1.16 0.00 0.00 179.01 177.52 2wya h LEU 148 N 0.00 0.00 0.00 1.33 3.38 -1.26 -3.40 115.31 115.36 2wya h LEU 148 Ca 0.43 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 2wya h LEU 148 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 2wya h LEU 148 CO -0.00 0.03 -1.17 0.49 0.09 0.00 0.00 178.44 177.88 2wya n PHE 149 N -2.42 0.00 -0.02 1.13 3.72 0.11 -4.86 117.46 115.13 2wya n PHE 149 Ca 0.04 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.37 2wya n PHE 149 Cb 0.46 -0.12 0.11 0.00 -0.94 0.00 0.00 39.48 39.00 2wya n PHE 149 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2wya h GLN 150 N 0.00 0.58 0.00 -1.08 3.07 -0.97 -2.71 115.11 114.00 2wya h GLN 150 Ca -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 58.65 58.37 2wya h GLN 150 Cb 1.14 -0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.69 2wya h GLN 150 CO 0.00 0.86 -0.15 -0.44 0.09 0.00 0.00 178.83 179.19 2wya h ASP 151 N 0.49 0.00 0.88 0.06 3.32 -1.84 -1.25 116.42 118.08 2wya h ASP 151 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wya h ASP 151 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2wya h ASP 151 CO 0.07 0.15 0.00 -1.54 -1.72 0.00 0.00 179.24 176.20 2wya n SER 152 N -4.12 0.00 0.00 6.45 3.41 -1.03 -4.89 113.62 113.44 2wya n SER 152 Ca -0.02 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2wya n SER 152 Cb 0.23 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2wya n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wya n GLY 153 N 1.17 0.85 3.26 5.00 0.00 -0.47 -5.03 105.19 109.97 2wya n GLY 153 Ca 0.06 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2wya n GLY 153 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wya s ASN 154 N -2.01 6.41 0.00 1.61 -0.87 -1.19 -4.80 114.94 114.10 2wya s ASN 154 Ca 0.00 -2.94 0.03 0.00 -1.57 0.00 0.00 52.86 48.38 2wya s ASN 154 Cb 0.00 -2.10 0.02 0.00 -0.02 0.00 0.00 41.25 39.15 2wya s ASN 154 CO 0.00 -0.45 0.59 0.35 -2.57 0.00 0.00 177.10 175.02 2wya n THR 155 N 3.55 0.03 -2.14 1.60 -2.24 -1.26 -4.38 114.28 109.43 2wya n THR 155 Ca 0.14 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2wya n THR 155 Cb 0.43 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2wya n THR 155 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wya n ASP 156 N 0.13 4.84 -3.91 3.42 2.03 -1.26 -4.90 116.55 116.90 2wya n ASP 156 Ca 0.02 -3.03 -0.30 0.00 0.52 0.00 0.00 54.79 51.99 2wya n ASP 156 Cb 0.07 -1.53 -0.16 0.00 -0.72 0.00 0.00 41.12 38.79 2wya n ASP 156 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2wya s ILE 157 N 1.16 1.43 0.82 5.18 1.01 -1.26 -4.79 121.20 124.75 2wya s ILE 157 Ca 0.42 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 2wya s ILE 157 Cb 0.11 -1.76 0.09 0.00 0.01 0.00 0.00 42.46 40.91 2wya s ILE 157 CO -0.03 -0.16 1.11 -0.70 0.00 0.00 0.00 174.94 175.16 2wya s GLU 158 N 1.43 1.86 0.00 2.79 2.12 -0.59 -4.70 118.70 121.60 2wya s GLU 158 Ca -0.04 1.26 0.00 0.00 0.36 0.00 0.00 54.97 56.55 2wya s GLU 158 Cb -0.19 -1.84 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2wya s GLU 158 CO -0.07 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.10 2wya n GLY 159 N -0.80 2.59 0.00 -1.50 0.00 -1.26 -0.90 105.19 103.32 2wya n GLY 159 Ca 0.10 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2wya n GLY 159 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wya n ILE 160 N 1.00 0.00 -4.26 -0.61 -5.35 -1.26 -4.81 119.36 104.07 2wya n ILE 160 Ca 0.00 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.23 2wya n ILE 160 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.82 2wya n ILE 160 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2wya s ASP 161 N 1.00 4.52 -0.06 7.28 1.11 -1.26 -1.25 116.67 128.01 2wya s ASP 161 Ca 0.00 -0.54 -0.03 0.00 0.18 0.00 0.00 52.55 52.16 2wya s ASP 161 Cb 0.00 -0.86 0.03 0.00 1.07 0.00 0.00 42.92 43.16 2wya s ASP 161 CO 0.00 0.06 0.15 0.28 1.18 0.00 0.00 175.17 176.84 2wya s THR 162 N -1.92 -0.04 -0.04 -1.27 -1.32 0.13 -4.92 115.64 106.27 2wya s THR 162 Ca 0.28 0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.90 2wya s THR 162 Cb -0.08 -0.23 0.02 0.00 -1.51 0.00 0.00 72.50 70.70 2wya s THR 162 CO 0.18 0.05 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.73 2wya s THR 163 N 0.90 0.37 -0.29 5.08 2.01 -1.26 -3.21 115.64 119.24 2wya s THR 163 Ca -0.07 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.95 2wya s THR 163 Cb -0.09 -0.44 0.18 0.00 0.01 0.00 0.00 72.50 72.17 2wya s THR 163 CO -0.04 0.19 0.52 0.21 -0.69 0.00 0.00 174.62 174.81 2wya s ASN 164 N 1.04 -0.85 0.67 3.53 2.47 -1.26 -4.95 114.94 115.59 2wya s ASN 164 Ca -0.09 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.21 2wya s ASN 164 Cb -0.14 1.69 0.00 0.00 -1.45 0.00 0.00 41.25 41.35 2wya s ASN 164 CO -0.01 -0.32 0.00 0.00 -3.72 0.00 0.00 177.10 173.05 2wya n ALA 165 N 5.40 0.00 1.48 1.71 0.00 -1.26 -0.96 120.51 126.87 2wya n ALA 165 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.50 2wya n ALA 165 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.07 2wya n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wya n TYR 167 N -0.03 0.24 0.00 0.00 9.36 -0.13 -4.14 117.16 122.46 2wya n TYR 167 Ca 0.06 0.07 0.11 0.00 3.32 0.00 0.00 57.90 61.46 2wya n TYR 167 Cb 0.14 -0.43 0.53 0.00 -0.63 0.00 0.00 39.34 38.96 2wya n TYR 167 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2wya h GLY 168 N 4.47 0.40 0.91 2.98 0.00 -1.68 -1.68 103.07 108.49 2wya h GLY 168 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2wya h GLY 168 CO 0.00 0.09 0.09 -1.33 0.00 0.00 0.00 176.54 175.39 2wya h GLY 169 N 0.31 0.29 1.01 4.60 0.00 -1.78 -1.15 103.07 106.35 2wya h GLY 169 Ca 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wya h GLY 169 CO -0.05 0.13 0.47 -0.84 0.00 0.00 0.00 176.54 176.26 2wya h THR 170 N 0.17 1.21 -0.61 4.70 2.02 -1.64 -0.12 112.91 118.63 2wya h THR 170 Ca 0.06 -0.43 0.07 0.00 0.77 0.00 0.00 66.41 66.88 2wya h THR 170 Cb 0.12 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.61 2wya h THR 170 CO -0.01 0.21 0.30 0.00 0.37 0.00 0.00 175.52 176.39 2wya h ALA 171 N 1.25 0.81 -0.64 6.16 0.00 -1.13 0.87 119.26 126.58 2wya h ALA 171 Ca 0.27 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2wya h ALA 171 Cb -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2wya h ALA 171 CO -0.05 -0.07 0.11 1.03 0.00 0.00 0.00 179.25 180.27 2wya h SER 172 N 0.55 1.01 -0.05 0.00 0.87 -0.75 0.01 113.55 115.19 2wya h SER 172 Ca 0.29 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2wya h SER 172 Cb 0.25 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2wya h SER 172 CO -0.22 1.01 0.03 0.25 -0.53 0.00 0.00 176.83 177.36 2wya h LEU 173 N 0.97 0.05 -0.53 2.23 5.85 -0.38 -0.18 115.31 123.32 2wya h LEU 173 Ca 0.20 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2wya h LEU 173 Cb 0.42 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2wya h LEU 173 CO 0.01 0.07 0.33 -0.26 -0.34 0.00 0.00 178.44 178.25 2wya h PHE 174 N 0.03 0.62 -0.84 1.25 0.04 -0.70 -1.57 116.94 115.79 2wya h PHE 174 Ca 0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.84 2wya h PHE 174 Cb 0.03 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 37.92 2wya h PHE 174 CO -0.07 0.38 0.55 -0.91 -0.60 0.00 0.00 178.31 177.66 2wya h ASN 175 N 0.67 0.88 -0.23 2.17 2.35 -0.77 0.80 115.58 121.44 2wya h ASN 175 Ca 0.20 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 2wya h ASN 175 Cb -0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2wya h ASN 175 CO -0.07 0.60 -0.08 0.00 -1.65 0.00 0.00 177.43 176.23 2wya h ALA 176 N 1.52 0.32 -0.54 -0.83 0.00 -0.44 -0.44 119.26 118.85 2wya h ALA 176 Ca 0.34 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wya h ALA 176 Cb 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2wya h ALA 176 CO -0.11 0.14 0.13 0.00 0.00 0.00 0.00 179.25 179.41 2wya h ALA 177 N 0.74 0.72 -0.21 0.00 0.00 -1.06 -1.34 119.26 118.11 2wya h ALA 177 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wya h ALA 177 Cb 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wya h ALA 177 CO 0.03 0.42 -0.00 -0.91 0.00 0.00 0.00 179.25 178.78 2wya h ASN 178 N 0.77 -0.09 -0.25 0.00 2.35 -0.72 -2.12 115.58 115.52 2wya h ASN 178 Ca 0.17 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 2wya h ASN 178 Cb 0.34 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.76 2wya h ASN 178 CO 0.00 -0.02 0.00 -0.25 -1.65 0.00 0.00 177.43 175.52 2wya h TRP 179 N 0.06 -0.01 0.00 1.19 7.01 -0.93 -2.55 115.95 120.73 2wya h TRP 179 Ca 0.10 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 2wya h TRP 179 Cb 0.12 0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.22 2wya h TRP 179 CO -0.18 -0.03 -0.13 1.98 -2.79 0.00 0.00 178.44 177.28 2wya h MET 180 N 0.08 0.00 -0.11 2.65 4.05 -0.94 -1.81 114.93 118.85 2wya h MET 180 Ca 0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2wya h MET 180 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 2wya h MET 180 CO -0.20 0.13 0.00 0.39 0.23 0.00 0.00 176.91 177.46 2wya n GLU 181 N -4.02 1.95 -3.02 0.39 1.02 -0.82 -4.67 120.64 111.47 2wya n GLU 181 Ca -0.02 -1.41 -0.19 0.00 -0.02 0.00 0.00 57.16 55.52 2wya n GLU 181 Cb 0.21 -1.46 0.05 0.00 -0.02 0.00 0.00 31.44 30.23 2wya n GLU 181 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wya s SER 182 N -1.82 5.19 0.10 1.62 1.04 -0.68 -4.91 113.70 114.23 2wya s SER 182 Ca 0.34 -0.75 0.18 0.00 0.48 0.00 0.00 55.95 56.20 2wya s SER 182 Cb 0.20 0.10 0.76 0.00 0.10 0.00 0.00 66.02 67.18 2wya s SER 182 CO 0.31 -1.25 1.56 -1.54 0.98 0.00 0.00 173.24 173.30 2wya n SER 183 N -2.19 0.25 -0.00 7.02 3.41 -1.26 -2.57 113.62 118.28 2wya n SER 183 Ca 0.14 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 2wya n SER 183 Cb 0.61 -0.61 0.29 0.00 -0.26 0.00 0.00 64.21 64.24 2wya n SER 183 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wya n SER 184 N -1.77 0.45 -4.75 4.04 7.64 -1.26 -4.89 113.62 113.07 2wya n SER 184 Ca 0.03 -0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.32 2wya n SER 184 Cb 0.19 0.17 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 2wya n SER 184 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2wya s TRP 185 N -3.00 2.79 -0.16 1.43 -0.00 -1.06 -4.91 118.94 114.04 2wya s TRP 185 Ca 0.11 0.81 0.18 0.00 -0.00 0.00 0.00 56.10 57.20 2wya s TRP 185 Cb 0.18 -4.03 0.39 0.00 -0.00 0.00 0.00 33.47 30.00 2wya s TRP 185 CO 0.68 -3.46 1.26 -0.40 -0.00 0.00 0.00 176.95 175.03 2wya n ASP 186 N 2.20 2.86 0.00 5.86 5.68 -1.26 -4.96 116.55 126.93 2wya n ASP 186 Ca 0.08 -3.12 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 2wya n ASP 186 Cb 0.38 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 2wya n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wya n GLY 187 N -1.10 1.24 3.96 6.12 0.00 -1.26 -5.05 105.19 109.11 2wya n GLY 187 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 2wya n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wya s ARG 188 N -0.55 2.77 0.71 1.61 0.52 -1.26 -5.07 118.95 117.69 2wya s ARG 188 Ca 0.00 -0.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.47 2wya s ARG 188 Cb 0.00 -2.51 0.02 0.00 0.52 0.00 0.00 34.95 32.99 2wya s ARG 188 CO 0.00 -0.53 1.08 0.71 0.02 0.00 0.00 175.30 176.57 2wya s TYR 189 N -2.69 2.84 0.07 -0.53 2.02 0.27 -4.63 117.35 114.69 2wya s TYR 189 Ca 0.53 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.76 2wya s TYR 189 Cb -0.10 -2.99 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 2wya s TYR 189 CO 0.38 -1.49 0.05 0.00 -1.57 0.00 0.00 175.55 172.92 2wya s ALA 190 N -2.85 3.45 -0.17 3.71 0.00 -0.62 -0.78 121.76 124.50 2wya s ALA 190 Ca 0.61 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.55 2wya s ALA 190 Cb -0.16 -1.36 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2wya s ALA 190 CO 0.52 0.72 -0.19 1.41 0.00 0.00 0.00 175.76 178.22 2wya s MET 191 N -2.22 3.05 -0.23 0.00 1.75 0.66 -0.46 119.30 121.87 2wya s MET 191 Ca 0.27 -0.81 -0.08 0.00 -1.25 0.00 0.00 55.69 53.82 2wya s MET 191 Cb -0.12 -2.59 -0.04 0.00 2.84 0.00 0.00 34.83 34.92 2wya s MET 191 CO 0.19 -0.15 0.09 0.08 -0.65 0.00 0.00 175.02 174.58 2wya s VAL 192 N 1.17 4.69 -0.04 10.11 1.01 -0.02 -2.35 120.40 134.96 2wya s VAL 192 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.00 2wya s VAL 192 Cb -0.14 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 2wya s VAL 192 CO -0.09 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.48 2wya s VAL 193 N 1.14 1.76 0.05 2.92 1.01 -0.57 -0.35 120.40 126.35 2wya s VAL 193 Ca 0.05 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2wya s VAL 193 Cb -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2wya s VAL 193 CO 0.04 0.50 0.19 0.00 0.00 0.00 0.00 175.10 175.82 2wya n GLY 195 N 0.54 0.41 3.57 0.00 0.00 -1.08 -0.12 105.19 108.50 2wya n GLY 195 Ca -0.18 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 2wya n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wya s ASP 196 N 0.00 -0.24 -0.30 1.61 1.01 -0.53 -4.38 116.67 113.84 2wya s ASP 196 Ca 0.00 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.34 2wya s ASP 196 Cb 0.00 0.24 0.05 0.00 1.01 0.00 0.00 42.92 44.22 2wya s ASP 196 CO 0.00 -0.35 -0.02 -0.63 0.21 0.00 0.00 175.17 174.38 2wya s ILE 197 N -2.23 2.82 -0.38 0.77 1.01 -1.26 -1.95 121.20 119.97 2wya s ILE 197 Ca 0.06 -1.47 -0.15 0.00 0.00 0.00 0.00 60.65 59.09 2wya s ILE 197 Cb -0.01 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.82 2wya s ILE 197 CO -0.05 -0.11 0.33 0.00 0.00 0.00 0.00 174.94 175.10 2wya s ALA 198 N 1.21 3.48 0.02 9.38 0.00 0.70 -4.95 121.76 131.61 2wya s ALA 198 Ca -0.05 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2wya s ALA 198 Cb -0.20 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2wya s ALA 198 CO -0.02 -1.30 -0.08 0.14 0.00 0.00 0.00 175.76 174.50 2wya s VAL 199 N 1.84 0.57 0.20 0.00 -7.23 -1.26 -1.55 120.40 112.97 2wya s VAL 199 Ca 0.08 -0.62 0.07 0.00 -1.81 0.00 0.00 61.98 59.70 2wya s VAL 199 Cb -0.18 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.18 2wya s VAL 199 CO 0.11 -0.06 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.40 2wya s TYR 200 N -0.65 1.65 0.93 2.82 2.02 -1.26 -4.61 117.35 118.25 2wya s TYR 200 Ca -0.02 -0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 55.94 2wya s TYR 200 Cb -0.06 -0.79 0.15 0.00 -0.40 0.00 0.00 41.96 40.86 2wya s TYR 200 CO 0.00 0.30 1.09 -1.25 -1.57 0.00 0.00 175.55 174.12 2wya s PRO 201 N -3.67 1.02 0.19 -1.71 0.04 -1.26 -4.74 135.00 124.86 2wya s PRO 201 Ca 0.22 0.79 -0.33 0.00 0.04 0.00 0.00 61.00 61.72 2wya s PRO 201 Cb 0.00 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.61 2wya s PRO 201 CO 0.06 -2.40 1.35 0.45 0.04 0.00 0.00 177.00 176.50 2wya n SER 202 N -3.99 2.26 0.00 6.66 2.88 -1.26 -4.06 113.62 116.11 2wya n SER 202 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2wya n SER 202 Cb 0.55 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2wya n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wya n GLY 203 N 2.31 0.39 0.11 0.46 0.00 -1.26 -4.94 105.19 102.25 2wya n GLY 203 Ca 0.14 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.55 2wya n GLY 203 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wya n ASN 204 N 2.73 0.59 0.05 1.61 6.94 -1.26 -2.47 115.26 123.45 2wya n ASN 204 Ca 0.00 0.63 0.08 0.00 -0.02 0.00 0.00 54.58 55.27 2wya n ASN 204 Cb 0.00 -0.76 -0.06 0.00 -2.36 0.00 0.00 39.78 36.60 2wya n ASN 204 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wya n ALA 205 N -1.73 2.41 -0.34 -2.53 0.00 -1.26 -4.45 120.51 112.60 2wya n ALA 205 Ca 0.03 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.14 2wya n ALA 205 Cb 0.25 -0.95 0.25 0.00 0.00 0.00 0.00 19.45 19.00 2wya n ALA 205 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wya h ARG 206 N 0.00 0.84 0.00 0.00 2.43 -1.63 0.71 114.38 116.73 2wya h ARG 206 Ca -0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2wya h ARG 206 Cb 1.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2wya h ARG 206 CO 0.01 0.55 0.00 -2.30 -1.51 0.00 0.00 179.97 176.73 2wya n PRO 207 N -4.71 0.26 -0.51 0.20 -0.02 -1.26 -2.56 135.00 126.40 2wya n PRO 207 Ca 0.19 0.09 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 2wya n PRO 207 Cb 0.41 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.65 2wya n PRO 207 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2wya n THR 208 N -1.14 2.35 -1.24 3.45 -2.24 0.24 -4.97 114.28 110.72 2wya n THR 208 Ca 0.07 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.85 2wya n THR 208 Cb 0.06 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2wya n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wya n GLY 209 N -0.61 -0.26 0.00 3.38 0.00 -1.06 -4.06 105.19 102.58 2wya n GLY 209 Ca 0.24 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2wya n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wya n GLY 210 N 5.00 -2.04 3.60 -0.02 0.00 -0.60 -1.49 105.19 109.65 2wya n GLY 210 Ca 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.67 2wya n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wya s ALA 211 N -1.47 -1.93 0.00 4.61 0.00 -1.25 -0.21 121.76 121.51 2wya s ALA 211 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2wya s ALA 211 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2wya s ALA 211 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2wya n GLY 212 N 1.33 -1.95 3.33 0.00 0.00 -0.82 -4.42 105.19 102.67 2wya n GLY 212 Ca -0.12 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 2wya n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wya s ALA 213 N -1.43 -1.04 -0.00 4.61 0.00 -0.26 -1.46 121.76 122.18 2wya s ALA 213 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2wya s ALA 213 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 2wya s ALA 213 CO 0.00 -0.66 -0.02 0.08 0.00 0.00 0.00 175.76 175.16 2wya s VAL 214 N -3.79 0.16 -0.05 0.00 1.01 0.82 -0.60 120.40 117.94 2wya s VAL 214 Ca 0.03 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2wya s VAL 214 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 2wya s VAL 214 CO -0.12 0.02 -0.22 0.00 0.00 0.00 0.00 175.10 174.77 2wya s ALA 215 N -0.11 1.93 -0.06 5.51 0.00 -0.35 -1.14 121.76 127.55 2wya s ALA 215 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2wya s ALA 215 Cb -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2wya s ALA 215 CO -0.00 0.37 -0.17 -1.64 0.00 0.00 0.00 175.76 174.32 2wya s MET 216 N -0.11 2.01 -0.18 0.00 -1.94 0.52 -0.74 119.30 118.86 2wya s MET 216 Ca -0.03 -0.62 -0.19 0.00 -1.71 0.00 0.00 55.69 53.14 2wya s MET 216 Cb -0.13 -1.67 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 2wya s MET 216 CO 0.03 0.19 0.53 -1.17 -0.01 0.00 0.00 175.02 174.59 2wya s LEU 217 N 0.24 4.18 -0.12 -0.03 2.96 -0.18 -0.84 118.68 124.88 2wya s LEU 217 Ca -0.09 0.74 -0.01 0.00 -0.22 0.00 0.00 54.13 54.54 2wya s LEU 217 Cb -0.14 -2.74 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2wya s LEU 217 CO 0.04 -0.16 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.21 2wya s ILE 218 N 1.46 3.66 0.33 6.68 -1.09 0.40 -0.55 121.20 132.09 2wya s ILE 218 Ca 0.25 -0.46 -0.18 0.00 -2.23 0.00 0.00 60.65 58.03 2wya s ILE 218 Cb -0.15 -2.56 0.05 0.00 -1.58 0.00 0.00 42.46 38.22 2wya s ILE 218 CO 0.10 0.53 0.80 -0.83 -1.23 0.00 0.00 174.94 174.31 2wya s GLY 219 N -0.02 0.18 0.89 6.18 0.00 -0.61 -1.59 107.32 112.35 2wya s GLY 219 Ca -0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 44.72 44.06 2wya s GLY 219 CO 0.03 -0.03 1.09 -4.14 0.00 0.00 0.00 173.10 170.05 2wya s PRO 220 N -2.84 1.29 -1.45 2.90 0.02 -1.26 -1.53 135.00 132.12 2wya s PRO 220 Ca 0.14 0.99 -0.11 0.00 0.02 0.00 0.00 61.00 62.05 2wya s PRO 220 Cb -0.05 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.72 2wya s PRO 220 CO 0.09 -2.27 1.07 1.63 -0.33 0.00 0.00 177.00 177.19 2wya n LYS 221 N -3.92 -6.62 -3.21 5.54 5.02 0.25 -4.87 118.16 110.35 2wya n LYS 221 Ca 0.08 0.70 -0.34 0.00 -2.02 0.00 0.00 58.31 56.73 2wya n LYS 221 Cb 0.54 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 2wya n LYS 221 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wya s ALA 222 N -3.32 3.44 0.20 7.82 0.00 -0.05 -4.98 121.76 124.87 2wya s ALA 222 Ca 0.60 0.01 0.21 0.00 0.00 0.00 0.00 51.96 52.79 2wya s ALA 222 Cb -0.29 -2.69 0.87 0.00 0.00 0.00 0.00 23.12 21.02 2wya s ALA 222 CO 0.78 0.38 1.82 -1.00 0.00 0.00 0.00 175.76 177.74 2wya h PRO 223 N 3.01 0.00 -3.94 0.00 0.13 -1.88 -3.33 132.00 125.99 2wya h PRO 223 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 2wya h PRO 223 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 2wya h PRO 223 CO 0.66 0.29 -0.42 -0.51 -0.23 0.00 0.00 178.00 177.79 2wya s LEU 224 N -7.07 5.30 -0.13 1.56 1.43 -1.21 -0.54 118.68 118.02 2wya s LEU 224 Ca -0.00 -2.52 -0.15 0.00 -1.03 0.00 0.00 54.13 50.43 2wya s LEU 224 Cb 0.11 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 2wya s LEU 224 CO 0.66 -0.45 0.36 0.00 0.23 0.00 0.00 176.35 177.15 2wya s ALA 225 N 0.43 3.56 0.25 4.21 0.00 -0.51 -1.23 121.76 128.49 2wya s ALA 225 Ca 0.13 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 2wya s ALA 225 Cb -0.21 -2.47 -0.11 0.00 0.00 0.00 0.00 23.12 20.33 2wya s ALA 225 CO -0.04 0.10 1.57 -0.51 0.00 0.00 0.00 175.76 176.88 2wya s LEU 226 N 0.39 4.36 -0.31 0.00 1.43 -0.55 -0.21 118.68 123.79 2wya s LEU 226 Ca 0.20 2.83 -0.29 0.00 -1.03 0.00 0.00 54.13 55.84 2wya s LEU 226 Cb -0.14 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2wya s LEU 226 CO 0.07 -0.86 1.16 -1.61 0.23 0.00 0.00 176.35 175.33 2wya s GLU 227 N -0.02 4.03 0.29 1.70 2.02 -0.01 -4.81 118.70 121.90 2wya s GLU 227 Ca 0.65 1.15 -0.29 0.00 0.02 0.00 0.00 54.97 56.50 2wya s GLU 227 Cb -0.46 -3.78 -0.10 0.00 0.10 0.00 0.00 34.13 29.88 2wya s GLU 227 CO 0.42 -0.96 1.35 1.03 0.02 0.00 0.00 175.26 177.12 2wya s ARG 228 N 3.81 4.33 0.00 1.61 0.52 -1.26 -2.53 118.95 125.43 2wya s ARG 228 Ca 0.49 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 2wya s ARG 228 Cb -0.14 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2wya s ARG 228 CO 0.18 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.64 2wya n GLY 229 N 1.39 0.81 2.76 -3.53 0.00 -1.26 -4.95 105.19 100.41 2wya n GLY 229 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2wya n GLY 229 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wya n LEU 230 N 0.00 5.55 -4.09 0.99 4.77 -1.05 -4.89 117.00 118.28 2wya n LEU 230 Ca 0.00 -5.38 -0.33 0.00 -0.03 0.00 0.00 56.01 50.27 2wya n LEU 230 Cb 0.01 -0.98 -0.15 0.00 -2.33 0.00 0.00 43.42 39.97 2wya n LEU 230 CO 0.00 1.96 -0.41 -0.13 -1.33 0.00 0.00 177.39 177.47 2wya s ARG 231 N -3.07 2.19 -0.50 3.23 0.52 -1.26 -4.14 118.95 115.92 2wya s ARG 231 Ca 0.37 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 53.98 2wya s ARG 231 Cb 0.13 -3.01 0.05 0.00 0.52 0.00 0.00 34.95 32.64 2wya s ARG 231 CO -0.00 -0.64 0.67 0.20 0.02 0.00 0.00 175.30 175.55 2wya s GLY 232 N 1.14 1.72 0.04 -3.53 0.00 0.37 -4.80 107.32 102.26 2wya s GLY 232 Ca -0.05 -1.62 0.06 0.00 0.00 0.00 0.00 44.72 43.11 2wya s GLY 232 CO -0.04 1.55 -0.15 -1.59 0.00 0.00 0.00 173.10 172.87 2wya s THR 233 N 2.81 3.05 -0.12 0.90 2.01 -1.26 -0.25 115.64 122.79 2wya s THR 233 Ca 0.18 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 2wya s THR 233 Cb -0.18 -2.32 0.05 0.00 0.01 0.00 0.00 72.50 70.07 2wya s THR 233 CO 0.14 0.32 0.25 -2.28 -0.69 0.00 0.00 174.62 172.36 2wya s HIS 234 N -0.98 -0.37 0.04 4.92 5.65 -0.32 -4.81 115.29 119.43 2wya s HIS 234 Ca 0.16 0.87 0.05 0.00 0.25 0.00 0.00 55.06 56.39 2wya s HIS 234 Cb -0.11 0.01 -0.02 0.00 -1.18 0.00 0.00 32.58 31.28 2wya s HIS 234 CO 0.07 -0.28 -0.14 -1.64 -0.65 0.00 0.00 174.74 172.09 2wya s MET 235 N 1.75 0.92 0.22 2.88 -1.94 -1.26 -1.34 119.30 120.53 2wya s MET 235 Ca -0.05 -0.77 -0.21 0.00 -1.71 0.00 0.00 55.69 52.95 2wya s MET 235 Cb -0.11 -0.93 0.04 0.00 2.01 0.00 0.00 34.83 35.84 2wya s MET 235 CO -0.09 0.23 0.63 -1.83 -0.01 0.00 0.00 175.02 173.95 2wya s GLU 236 N -1.19 1.52 -0.52 2.03 -1.05 -1.03 -5.01 118.70 113.44 2wya s GLU 236 Ca 0.01 -0.78 -0.21 0.00 -0.15 0.00 0.00 54.97 53.84 2wya s GLU 236 Cb -0.08 0.58 0.05 0.00 -0.44 0.00 0.00 34.13 34.24 2wya s GLU 236 CO 0.01 -0.67 0.74 1.21 0.95 0.00 0.00 175.26 177.50 2wya s ASN 237 N -2.85 6.27 0.22 0.83 2.47 -1.26 -0.51 114.94 120.11 2wya s ASN 237 Ca 0.07 -0.70 0.01 0.00 0.42 0.00 0.00 52.86 52.67 2wya s ASN 237 Cb -0.03 -2.34 -0.05 0.00 -1.45 0.00 0.00 41.25 37.38 2wya s ASN 237 CO -0.02 -1.01 0.06 0.68 -3.72 0.00 0.00 177.10 173.09 2wya s VAL 238 N 3.12 0.58 -0.41 -5.21 -7.23 -0.21 -4.92 120.40 106.13 2wya s VAL 238 Ca 0.21 -1.99 0.09 0.00 -1.81 0.00 0.00 61.98 58.47 2wya s VAL 238 Cb -0.17 -2.44 0.43 0.00 0.56 0.00 0.00 36.38 34.76 2wya s VAL 238 CO 0.15 -0.18 1.05 -1.22 -0.31 0.00 0.00 175.10 174.59 2wya n TYR 239 N -0.37 2.75 0.08 2.82 4.01 -1.26 -4.40 117.16 120.79 2wya n TYR 239 Ca -0.02 -3.08 -0.16 0.00 -0.16 0.00 0.00 57.90 54.48 2wya n TYR 239 Cb 0.65 -0.19 -0.08 0.00 -0.31 0.00 0.00 39.34 39.41 2wya n TYR 239 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2wya h ASP 240 N 2.72 0.59 -3.13 7.72 2.03 -1.91 -3.44 116.42 121.00 2wya h ASP 240 Ca 0.18 -0.51 -0.03 0.00 -0.73 0.00 0.00 57.03 55.93 2wya h ASP 240 Cb 0.98 -0.18 -0.23 0.00 -0.83 0.00 0.00 39.33 39.06 2wya h ASP 240 CO 0.74 1.33 -0.09 0.12 -1.03 0.00 0.00 179.24 180.31 2wya s PHE 241 N -3.09 -0.88 0.17 4.15 5.99 -1.26 -1.26 117.98 121.80 2wya s PHE 241 Ca -0.06 1.81 -0.24 0.00 0.00 0.00 0.00 56.93 58.44 2wya s PHE 241 Cb 0.08 0.48 0.06 0.00 0.00 0.00 0.00 43.02 43.64 2wya s PHE 241 CO 0.88 -0.45 0.73 1.52 -0.00 0.00 0.00 175.22 177.91 2wya s TYR 242 N 1.48 -0.34 -0.54 10.12 -0.85 -0.74 -4.24 117.35 122.25 2wya s TYR 242 Ca -0.09 0.04 0.06 0.00 -0.52 0.00 0.00 57.07 56.56 2wya s TYR 242 Cb -0.06 0.62 0.21 0.00 0.38 0.00 0.00 41.96 43.11 2wya s TYR 242 CO -0.16 -0.93 0.54 1.63 -1.52 0.00 0.00 175.55 175.11 2wya n LYS 243 N -0.40 1.37 0.02 -3.49 5.02 -1.26 -0.55 118.16 118.86 2wya n LYS 243 Ca -0.10 -3.91 0.12 0.00 -2.02 0.00 0.00 58.31 52.39 2wya n LYS 243 Cb 0.62 -1.86 0.16 0.00 -0.02 0.00 0.00 35.03 33.93 2wya n LYS 243 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wya n PRO 244 N 1.69 0.11 -2.90 1.97 -0.04 -1.26 -4.61 135.00 129.95 2wya n PRO 244 Ca 0.25 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.29 2wya n PRO 244 Cb 0.44 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2wya n PRO 244 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wya s ASN 245 N -3.39 6.48 0.46 3.54 0.01 -1.26 -4.89 114.94 115.89 2wya s ASN 245 Ca 0.08 -1.71 0.20 0.00 -0.71 0.00 0.00 52.86 50.72 2wya s ASN 245 Cb 0.16 -2.40 1.13 0.00 0.41 0.00 0.00 41.25 40.55 2wya s ASN 245 CO 0.74 -1.18 1.99 -0.07 -1.51 0.00 0.00 177.10 177.07 2wya h LEU 246 N 10.72 0.00 -1.51 0.60 3.38 -1.97 -0.58 115.31 125.95 2wya h LEU 246 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wya h LEU 246 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2wya h LEU 246 CO 1.14 0.19 0.00 0.00 0.09 0.00 0.00 178.44 179.86 2wya n ALA 247 N -2.40 2.48 -2.51 1.53 0.00 -1.26 -4.85 120.51 113.51 2wya n ALA 247 Ca -0.02 -0.68 -0.32 0.00 0.00 0.00 0.00 53.44 52.42 2wya n ALA 247 Cb 0.28 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 2wya n ALA 247 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wya s SER 248 N -1.50 4.17 0.32 0.00 0.15 -0.23 -4.96 113.70 111.65 2wya s SER 248 Ca 0.34 -0.20 0.26 0.00 0.70 0.00 0.00 55.95 57.05 2wya s SER 248 Cb 0.19 -0.89 0.97 0.00 -1.71 0.00 0.00 66.02 64.58 2wya s SER 248 CO 0.27 0.32 1.77 -0.33 1.20 0.00 0.00 173.24 176.48 2wya h GLU 249 N 5.07 0.00 -6.24 5.44 5.08 -1.89 -3.46 114.58 118.58 2wya h GLU 249 Ca -0.47 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.32 2wya h GLU 249 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2wya h GLU 249 CO 0.51 0.00 0.00 0.71 -1.00 0.00 0.00 179.01 179.23 2wya s TYR 250 N -3.33 3.80 0.62 4.33 2.02 -1.26 -4.85 117.35 118.68 2wya s TYR 250 Ca 0.05 1.31 -0.10 0.00 -0.37 0.00 0.00 57.07 57.96 2wya s TYR 250 Cb 0.10 -2.56 -0.02 0.00 -0.40 0.00 0.00 41.96 39.07 2wya s TYR 250 CO 0.49 0.53 1.01 -1.25 -1.57 0.00 0.00 175.55 174.76 2wya s PRO 251 N -0.91 3.38 -0.15 -1.71 0.04 -1.26 -4.79 135.00 129.60 2wya s PRO 251 Ca 0.30 0.58 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 2wya s PRO 251 Cb -0.20 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2wya s PRO 251 CO 0.20 -0.65 0.59 0.42 0.04 0.00 0.00 177.00 177.59 2wya s ILE 252 N -3.17 5.08 -0.03 0.56 1.01 0.28 -4.96 121.20 119.98 2wya s ILE 252 Ca 0.55 1.14 0.01 0.00 0.00 0.00 0.00 60.65 62.35 2wya s ILE 252 Cb -0.11 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.46 2wya s ILE 252 CO 0.52 0.20 -0.04 0.54 0.00 0.00 0.00 174.94 176.16 2wya s VAL 253 N 1.33 0.44 -0.50 2.92 0.11 -1.26 -1.79 120.40 121.65 2wya s VAL 253 Ca 0.29 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 2wya s VAL 253 Cb -0.16 -0.44 0.12 0.00 -1.53 0.00 0.00 36.38 34.36 2wya s VAL 253 CO 0.12 0.18 0.41 -0.62 -3.33 0.00 0.00 175.10 171.85 2wya s ASP 254 N 0.55 5.95 0.12 3.54 -1.08 -0.39 -5.00 116.67 120.36 2wya s ASP 254 Ca -0.07 -1.76 -0.27 0.00 -0.52 0.00 0.00 52.55 49.93 2wya s ASP 254 Cb -0.10 -2.11 -0.06 0.00 -1.46 0.00 0.00 42.92 39.19 2wya s ASP 254 CO -0.00 -0.74 1.62 1.23 0.52 0.00 0.00 175.17 177.79 2wya h GLY 255 N 8.66 -0.50 0.82 2.66 0.00 -1.98 0.65 103.07 113.37 2wya h GLY 255 Ca -0.26 0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.47 2wya h GLY 255 CO 0.93 -0.23 0.35 1.70 0.00 0.00 0.00 176.54 179.29 2wya h LYS 256 N -0.46 0.66 -0.70 4.80 3.64 -1.96 -2.07 116.57 120.47 2wya h LYS 256 Ca 0.05 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2wya h LYS 256 Cb 0.54 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2wya h LYS 256 CO -0.23 0.44 0.17 1.25 -2.27 0.00 0.00 179.45 178.80 2wya h LEU 257 N 0.68 1.07 -1.10 5.20 5.85 -1.81 -1.74 115.31 123.46 2wya h LEU 257 Ca 0.25 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2wya h LEU 257 Cb 0.07 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2wya h LEU 257 CO -0.12 1.02 0.27 0.77 -0.34 0.00 0.00 178.44 180.04 2wya h SER 258 N 1.07 0.82 -0.30 1.25 4.64 -0.40 0.16 113.55 120.79 2wya h SER 258 Ca 0.22 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.36 2wya h SER 258 Cb 0.38 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2wya h SER 258 CO 0.00 0.72 -0.13 0.40 -0.87 0.00 0.00 176.83 176.96 2wya h ILE 259 N 0.90 1.29 -0.80 0.95 2.04 -1.09 -1.11 117.51 119.68 2wya h ILE 259 Ca 0.22 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2wya h ILE 259 Cb 0.14 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2wya h ILE 259 CO -0.02 0.39 0.44 1.56 0.00 0.00 0.00 178.15 180.51 2wya h GLN 260 N 0.38 1.11 -0.40 2.37 4.20 -0.82 -2.03 115.11 119.92 2wya h GLN 260 Ca 0.07 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.51 2wya h GLN 260 Cb 0.65 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2wya h GLN 260 CO 0.04 0.82 -0.30 0.00 -0.67 0.00 0.00 178.83 178.72 2wya h TYR 262 N 0.73 0.23 -0.22 0.00 3.20 -1.08 -0.16 116.97 119.67 2wya h TYR 262 Ca 0.08 0.02 -0.16 0.00 3.14 0.00 0.00 58.73 61.80 2wya h TYR 262 Cb 0.89 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 2wya h TYR 262 CO 0.06 0.09 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.06 2wya h LEU 263 N 0.28 0.70 -0.47 2.82 3.38 -1.16 -0.32 115.31 120.55 2wya h LEU 263 Ca 0.18 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2wya h LEU 263 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2wya h LEU 263 CO -0.19 1.10 0.04 -0.09 0.09 0.00 0.00 178.44 179.40 2wya h ARG 264 N 0.49 0.80 -0.94 1.13 2.43 -0.78 -1.09 114.38 116.43 2wya h ARG 264 Ca 0.01 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2wya h ARG 264 Cb 1.09 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.51 2wya h ARG 264 CO 0.11 0.83 0.57 0.00 -1.51 0.00 0.00 179.97 179.96 2wya h ALA 265 N 0.94 1.24 -0.31 2.80 0.00 -0.86 -1.39 119.26 121.68 2wya h ALA 265 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wya h ALA 265 Cb 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wya h ALA 265 CO 0.02 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.36 2wya h LEU 266 N 1.29 0.32 -0.17 0.00 5.85 -0.68 0.49 115.31 122.40 2wya h LEU 266 Ca 0.34 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.10 2wya h LEU 266 Cb -0.06 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2wya h LEU 266 CO -0.06 0.23 -0.16 0.44 -0.34 0.00 0.00 178.44 178.55 2wya h ASP 267 N 0.39 -0.52 -0.40 1.25 3.32 -0.77 -0.23 116.42 119.46 2wya h ASP 267 Ca 0.12 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2wya h ASP 267 Cb -0.02 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2wya h ASP 267 CO -0.04 -0.21 0.12 0.03 -1.72 0.00 0.00 179.24 177.42 2wya h ARG 268 N -0.18 0.63 -0.52 3.56 2.47 -0.94 -1.36 114.38 118.03 2wya h ARG 268 Ca 0.11 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.57 2wya h ARG 268 Cb 0.35 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2wya h ARG 268 CO -0.28 0.63 -0.14 0.00 0.56 0.00 0.00 179.97 180.74 2wya h TYR 270 N 0.89 1.17 -0.41 0.00 3.20 -0.92 0.53 116.97 121.43 2wya h TYR 270 Ca 0.13 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2wya h TYR 270 Cb 0.71 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2wya h TYR 270 CO 0.05 0.98 0.18 1.15 -1.64 0.00 0.00 178.16 178.88 2wya h THR 271 N 1.02 1.19 -0.36 1.81 2.02 -1.13 -0.22 112.91 117.25 2wya h THR 271 Ca 0.20 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2wya h THR 271 Cb 0.44 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2wya h THR 271 CO 0.01 0.21 0.19 -1.28 0.37 0.00 0.00 175.52 175.02 2wya h SER 272 N 0.52 0.46 -0.34 4.18 0.87 -0.98 -1.53 113.55 116.73 2wya h SER 272 Ca 0.14 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2wya h SER 272 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2wya h SER 272 CO -0.01 0.43 0.20 0.22 -0.53 0.00 0.00 176.83 177.14 2wya h TYR 273 N 0.45 0.45 -0.80 2.24 3.20 -0.78 -1.72 116.97 120.00 2wya h TYR 273 Ca 0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2wya h TYR 273 Cb 0.09 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2wya h TYR 273 CO -0.02 0.34 0.52 0.00 -1.64 0.00 0.00 178.16 177.36 2wya h ARG 274 N 0.43 1.07 -0.57 1.82 3.08 -0.89 -0.65 114.38 118.68 2wya h ARG 274 Ca 0.12 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wya h ARG 274 Cb 0.02 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 2wya h ARG 274 CO -0.02 0.72 0.34 -0.22 -1.07 0.00 0.00 179.97 179.72 2wya h LYS 275 N 1.09 0.77 -0.37 0.04 1.63 -1.02 -0.20 116.57 118.52 2wya h LYS 275 Ca 0.29 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.93 2wya h LYS 275 Cb -0.10 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.36 2wya h LYS 275 CO -0.06 0.56 -0.11 0.87 -3.45 0.00 0.00 179.45 177.26 2wya h LYS 276 N 0.77 0.73 -0.06 1.90 1.57 -0.78 -1.20 116.57 119.50 2wya h LYS 276 Ca 0.20 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 2wya h LYS 276 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2wya h LYS 276 CO -0.04 0.89 -0.70 0.97 -0.57 0.00 0.00 179.45 180.01 2wya h ILE 277 N 0.53 1.40 -0.35 1.86 2.10 -1.01 -2.28 117.51 119.75 2wya h ILE 277 Ca 0.09 -2.14 -0.07 0.00 1.08 0.00 0.00 64.86 63.81 2wya h ILE 277 Cb 0.63 2.11 -0.02 0.00 -1.09 0.00 0.00 36.82 38.46 2wya h ILE 277 CO 0.04 0.64 -0.09 1.56 -1.08 0.00 0.00 178.15 179.22 2wya h GLN 278 N 0.21 0.60 -0.59 2.19 4.20 -0.95 0.11 115.11 120.89 2wya h GLN 278 Ca -0.02 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 2wya h GLN 278 Cb 1.25 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2wya h GLN 278 CO 0.11 0.68 0.01 -0.91 -0.67 0.00 0.00 178.83 178.05 2wya h ASN 279 N 0.55 1.01 -0.50 1.46 2.35 -1.00 0.18 115.58 119.64 2wya h ASN 279 Ca 0.10 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 2wya h ASN 279 Cb 0.49 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2wya h ASN 279 CO 0.03 1.07 0.21 1.56 -1.65 0.00 0.00 177.43 178.64 2wya h GLN 280 N 0.93 0.74 -0.80 0.81 4.20 -0.92 -1.90 115.11 118.16 2wya h GLN 280 Ca 0.17 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2wya h GLN 280 Cb 0.55 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 2wya h GLN 280 CO 0.03 0.65 0.38 -1.49 -0.67 0.00 0.00 178.83 177.73 2wya h TRP 281 N 0.66 1.17 -0.55 2.96 6.55 -0.46 -2.06 115.95 124.22 2wya h TRP 281 Ca 0.17 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 2wya h TRP 281 Cb 0.18 -0.36 -0.03 0.00 -0.86 0.00 0.00 29.16 28.10 2wya h TRP 281 CO 0.00 0.85 0.26 0.87 -1.05 0.00 0.00 178.44 179.37 2wya h LYS 282 N 1.14 0.80 0.00 0.49 6.56 -0.20 0.15 116.57 125.52 2wya h LYS 282 Ca 0.28 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2wya h LYS 282 Cb 0.13 -0.14 -0.00 0.00 -0.57 0.00 0.00 32.23 31.65 2wya h LYS 282 CO -0.03 0.66 -0.00 1.96 -2.06 0.00 0.00 179.45 179.97 2wya h GLN 283 N 0.75 0.00 -0.28 3.15 4.20 -1.07 0.07 115.11 121.92 2wya h GLN 283 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2wya h GLN 283 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2wya h GLN 283 CO -0.02 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 2wya n ALA 284 N -2.54 2.48 -1.01 3.87 0.00 -0.60 -4.92 120.51 117.79 2wya n ALA 284 Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2wya n ALA 284 Cb 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2wya n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 285 N 1.16 0.94 2.99 0.00 0.00 0.01 -5.05 105.19 105.24 2wya n GLY 285 Ca 0.15 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 2wya n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wya s SER 286 N -2.58 1.80 0.00 1.61 0.15 0.44 -4.98 113.70 110.14 2wya s SER 286 Ca 0.00 -0.29 0.23 0.00 0.70 0.00 0.00 55.95 56.60 2wya s SER 286 Cb 0.00 -0.80 0.43 0.00 -1.71 0.00 0.00 66.02 63.94 2wya s SER 286 CO 0.00 -0.01 1.40 0.47 1.20 0.00 0.00 173.24 176.30 2wya n ASP 287 N 4.07 3.09 -4.76 5.45 9.92 -1.26 -2.25 116.55 130.81 2wya n ASP 287 Ca -0.21 -1.95 -0.37 0.00 -0.53 0.00 0.00 54.79 51.73 2wya n ASP 287 Cb 0.51 -0.17 0.01 0.00 -0.64 0.00 0.00 41.12 40.84 2wya n ASP 287 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wya s ARG 288 N -1.67 3.41 0.39 -1.24 1.70 -1.26 -5.00 118.95 115.28 2wya s ARG 288 Ca 0.36 1.89 -0.19 0.00 -0.47 0.00 0.00 55.73 57.31 2wya s ARG 288 Cb 0.22 -2.24 -0.10 0.00 -0.57 0.00 0.00 34.95 32.25 2wya s ARG 288 CO 0.31 -0.87 0.88 -1.25 -1.08 0.00 0.00 175.30 173.29 2wya s PRO 289 N -2.93 4.18 0.05 3.89 0.04 -1.26 -4.92 135.00 134.06 2wya s PRO 289 Ca 0.69 0.99 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 2wya s PRO 289 Cb -0.32 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2wya s PRO 289 CO 0.37 0.05 0.86 0.12 0.04 0.00 0.00 177.00 178.44 2wya s PHE 290 N -2.07 3.74 0.34 0.56 5.36 -1.26 -5.04 117.98 119.61 2wya s PHE 290 Ca 0.58 1.60 0.06 0.00 -0.96 0.00 0.00 56.93 58.22 2wya s PHE 290 Cb -0.10 -2.94 -0.03 0.00 -0.34 0.00 0.00 43.02 39.61 2wya s PHE 290 CO 0.15 0.20 0.23 0.95 -1.46 0.00 0.00 175.22 175.29 2wya s THR 291 N 0.18 0.14 0.64 0.12 -4.23 -1.26 -5.02 115.64 106.20 2wya s THR 291 Ca 0.43 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.27 2wya s THR 291 Cb -0.21 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.53 2wya s THR 291 CO 0.26 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.36 2wya h LEU 292 N 2.07 0.00 -2.48 4.79 3.38 -1.94 0.36 115.31 121.49 2wya h LEU 292 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wya h LEU 292 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2wya h LEU 292 CO 0.42 0.00 -0.01 0.44 0.09 0.00 0.00 178.44 179.38 2wya h ASP 293 N 0.00 0.00 -0.10 -0.43 3.32 -1.99 -1.82 116.42 115.40 2wya h ASP 293 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wya h ASP 293 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2wya h ASP 293 CO -0.00 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 178.00 2wya n ASP 294 N -3.13 1.68 -4.38 6.45 8.00 0.12 -4.76 116.55 120.53 2wya n ASP 294 Ca -0.02 -1.63 -0.33 0.00 0.71 0.00 0.00 54.79 53.52 2wya n ASP 294 Cb 0.15 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 2wya n ASP 294 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wya s LEU 295 N -1.76 2.74 0.04 0.64 1.43 -0.69 -4.78 118.68 116.30 2wya s LEU 295 Ca 0.35 -0.31 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2wya s LEU 295 Cb 0.19 -1.62 -0.22 0.00 0.03 0.00 0.00 46.19 44.57 2wya s LEU 295 CO 0.30 0.18 0.99 1.56 0.23 0.00 0.00 176.35 179.60 2wya h GLN 296 N 6.61 0.01 -4.14 1.70 7.50 -1.47 -3.47 115.11 121.85 2wya h GLN 296 Ca -0.27 -0.03 -0.17 0.00 0.50 0.00 0.00 58.65 58.69 2wya h GLN 296 Cb 1.21 0.01 -0.19 0.00 0.05 0.00 0.00 27.48 28.56 2wya h GLN 296 CO 0.56 0.79 -0.70 0.71 -1.50 0.00 0.00 178.83 178.69 2wya s TYR 297 N -2.66 0.41 -0.13 2.96 2.02 -1.04 -4.40 117.35 114.51 2wya s TYR 297 Ca -0.02 -0.72 -0.04 0.00 -0.37 0.00 0.00 57.07 55.92 2wya s TYR 297 Cb 0.09 -0.29 0.07 0.00 -0.40 0.00 0.00 41.96 41.43 2wya s TYR 297 CO 0.82 -0.24 0.22 1.41 -1.57 0.00 0.00 175.55 176.19 2wya s MET 298 N -2.36 0.12 0.16 -0.62 -2.45 -0.53 -0.75 119.30 112.87 2wya s MET 298 Ca -0.07 0.55 0.11 0.00 -1.25 0.00 0.00 55.69 55.04 2wya s MET 298 Cb -0.04 -0.40 -0.04 0.00 1.25 0.00 0.00 34.83 35.61 2wya s MET 298 CO -0.04 -0.38 -0.25 0.96 1.05 0.00 0.00 175.02 176.35 2wya s ILE 299 N 2.35 2.28 0.04 10.11 -4.36 -0.08 -4.31 121.20 127.23 2wya s ILE 299 Ca 0.03 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2wya s ILE 299 Cb -0.13 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2wya s ILE 299 CO -0.08 -0.01 -0.07 -0.36 0.24 0.00 0.00 174.94 174.66 2wya s PHE 300 N -1.35 0.60 0.12 1.37 0.08 -1.26 -0.97 117.98 116.57 2wya s PHE 300 Ca 0.17 -0.57 -0.34 0.00 0.12 0.00 0.00 56.93 56.31 2wya s PHE 300 Cb -0.09 -0.37 -0.14 0.00 -0.57 0.00 0.00 43.02 41.85 2wya s PHE 300 CO 0.08 -0.12 1.59 1.58 -0.10 0.00 0.00 175.22 178.25 2wya n HIS 301 N 1.29 2.22 -3.92 0.36 -0.00 -0.08 -4.33 115.22 110.75 2wya n HIS 301 Ca -0.22 0.27 -0.30 0.00 -0.00 0.00 0.00 57.72 57.47 2wya n HIS 301 Cb 0.56 -2.54 -0.14 0.00 -0.00 0.00 0.00 29.99 27.86 2wya n HIS 301 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2wya s THR 302 N 1.27 2.27 0.22 3.57 2.01 -1.26 -4.89 115.64 118.83 2wya s THR 302 Ca 0.81 -2.90 0.13 0.00 0.31 0.00 0.00 61.69 60.04 2wya s THR 302 Cb -0.71 -2.60 0.02 0.00 0.01 0.00 0.00 72.50 69.22 2wya s THR 302 CO 0.40 -0.76 1.63 1.55 -0.69 0.00 0.00 174.62 176.76 2wya h PRO 303 N 6.86 0.00 -2.26 4.92 0.13 -1.94 -3.40 132.00 136.30 2wya h PRO 303 Ca -0.06 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.13 2wya h PRO 303 Cb 0.93 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.90 2wya h PRO 303 CO 0.61 0.55 0.43 -0.59 -0.23 0.00 0.00 178.00 178.77 2wya s PHE 304 N -3.56 -0.41 0.22 1.56 -0.12 -1.26 -4.37 117.98 110.04 2wya s PHE 304 Ca -0.01 0.38 -0.05 0.00 -0.05 0.00 0.00 56.93 57.21 2wya s PHE 304 Cb 0.12 0.52 0.21 0.00 -0.63 0.00 0.00 43.02 43.24 2wya s PHE 304 CO 0.74 -0.57 1.69 0.00 -0.05 0.00 0.00 175.22 177.03 2wya h LYS 306 N 0.81 0.91 -0.91 0.00 1.63 -1.45 -1.32 116.57 116.24 2wya h LYS 306 Ca 0.14 -0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.97 2wya h LYS 306 Cb 0.55 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.90 2wya h LYS 306 CO 0.03 0.60 0.56 1.98 -3.45 0.00 0.00 179.45 179.17 2wya h MET 307 N 0.94 0.93 -0.17 1.90 4.05 -1.72 -1.64 114.93 119.23 2wya h MET 307 Ca 0.31 -0.06 -0.21 0.00 -0.28 0.00 0.00 59.70 59.47 2wya h MET 307 Cb 0.07 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2wya h MET 307 CO -0.09 0.62 -0.71 0.28 0.23 0.00 0.00 176.91 177.23 2wya h VAL 308 N 0.96 1.30 -0.75 -5.77 2.07 -1.27 -0.35 116.25 112.43 2wya h VAL 308 Ca 0.42 -1.94 0.03 0.00 0.82 0.00 0.00 66.70 66.02 2wya h VAL 308 Cb 0.29 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 2wya h VAL 308 CO -0.21 0.61 0.48 -0.61 0.02 0.00 0.00 177.57 177.86 2wya h GLN 309 N 0.52 0.92 -0.03 1.57 4.15 -1.02 -0.73 115.11 120.48 2wya h GLN 309 Ca -0.03 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 2wya h GLN 309 Cb 1.32 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2wya h GLN 309 CO 0.14 0.61 -0.34 0.87 -1.93 0.00 0.00 178.83 178.18 2wya h LYS 310 N 0.94 0.05 -0.23 1.69 1.57 -1.13 -2.55 116.57 116.92 2wya h LYS 310 Ca 0.30 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.86 2wya h LYS 310 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wya h LYS 310 CO -0.10 0.38 -0.65 0.77 -0.57 0.00 0.00 179.45 179.28 2wya h SER 311 N 0.04 0.97 -0.75 0.86 0.02 -0.16 -0.53 113.55 114.00 2wya h SER 311 Ca 0.00 -0.57 -0.06 0.00 -0.84 0.00 0.00 61.79 60.32 2wya h SER 311 Cb 0.62 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2wya h SER 311 CO 0.05 1.37 0.24 0.25 -1.14 0.00 0.00 176.83 177.60 2wya h LEU 312 N 0.62 1.10 -1.15 5.07 5.85 -1.10 -1.39 115.31 124.31 2wya h LEU 312 Ca -0.02 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2wya h LEU 312 Cb 1.27 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2wya h LEU 312 CO 0.14 1.01 0.58 0.00 -0.34 0.00 0.00 178.44 179.83 2wya h ALA 313 N 1.13 1.38 -0.55 1.25 0.00 -1.26 -1.45 119.26 119.76 2wya h ALA 313 Ca 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wya h ALA 313 Cb 0.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wya h ALA 313 CO -0.01 0.57 0.01 -0.09 0.00 0.00 0.00 179.25 179.73 2wya h ARG 314 N 1.18 0.94 -0.71 0.00 9.65 -0.45 -1.20 114.38 123.79 2wya h ARG 314 Ca 0.32 -0.27 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 2wya h ARG 314 Cb -0.12 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.33 2wya h ARG 314 CO -0.07 0.93 0.20 -0.07 2.80 0.00 0.00 179.97 183.76 2wya h LEU 315 N 0.87 1.05 -1.00 3.80 3.38 -0.71 -1.19 115.31 121.51 2wya h LEU 315 Ca 0.16 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2wya h LEU 315 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2wya h LEU 315 CO 0.02 0.99 0.23 -0.03 0.09 0.00 0.00 178.44 179.74 2wya h MET 316 N 1.05 0.94 -0.42 1.13 4.05 -0.84 -1.12 114.93 119.73 2wya h MET 316 Ca 0.23 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 2wya h MET 316 Cb 0.33 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 2wya h MET 316 CO -0.00 0.79 -0.06 0.35 0.23 0.00 0.00 176.91 178.21 2wya h PHE 317 N 0.92 0.77 -0.47 1.39 3.57 -0.79 -0.42 116.94 121.92 2wya h PHE 317 Ca 0.21 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2wya h PHE 317 Cb 0.22 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2wya h PHE 317 CO 0.02 0.76 0.23 -0.97 -2.23 0.00 0.00 178.31 176.12 2wya h ASN 318 N 0.66 0.60 -0.42 0.41 -0.73 -0.69 0.23 115.58 115.64 2wya h ASN 318 Ca 0.12 -0.12 0.06 0.00 1.87 0.00 0.00 56.30 58.23 2wya h ASN 318 Cb 0.50 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 2wya h ASN 318 CO 0.03 0.55 0.13 0.44 -0.37 0.00 0.00 177.43 178.21 2wya h ASP 319 N 0.61 0.12 0.06 1.15 3.32 -0.69 -1.26 116.42 119.73 2wya h ASP 319 Ca 0.16 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 2wya h ASP 319 Cb 0.10 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2wya h ASP 319 CO -0.02 0.10 -0.03 0.15 -1.72 0.00 0.00 179.24 177.72 2wya h PHE 320 N 0.29 -0.07 0.00 4.55 3.57 -0.72 -1.40 116.94 123.15 2wya h PHE 320 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2wya h PHE 320 Cb 0.21 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2wya h PHE 320 CO -0.17 0.00 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.60 2wya h LEU 321 N -0.13 0.00 0.00 0.59 3.38 -0.77 -2.09 115.31 116.29 2wya h LEU 321 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wya h LEU 321 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2wya h LEU 321 CO 0.01 0.25 -0.22 -1.20 0.09 0.00 0.00 178.44 177.37 2wya n SER 322 N -3.79 0.50 -4.86 -0.43 7.64 -0.49 -4.93 113.62 107.26 2wya n SER 322 Ca -0.01 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.87 2wya n SER 322 Cb 0.35 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2wya n SER 322 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wya s ALA 323 N -3.07 3.11 0.76 -0.43 0.00 -0.56 -5.04 121.76 116.53 2wya s ALA 323 Ca 0.11 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 2wya s ALA 323 Cb 0.15 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 20.27 2wya s ALA 323 CO 0.62 -0.42 1.14 -1.54 0.00 0.00 0.00 175.76 175.56 2wya s SER 324 N -3.57 4.23 0.25 0.00 1.04 -1.26 -4.76 113.70 109.62 2wya s SER 324 Ca 0.56 2.09 -0.03 0.00 0.48 0.00 0.00 55.95 59.05 2wya s SER 324 Cb -0.10 -2.56 0.48 0.00 0.10 0.00 0.00 66.02 63.94 2wya s SER 324 CO 0.41 -2.23 1.75 -1.28 0.98 0.00 0.00 173.24 172.87 2wya h SER 325 N -0.78 0.39 -0.13 7.02 0.87 -1.96 0.49 113.55 119.46 2wya h SER 325 Ca -0.45 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2wya h SER 325 Cb 1.26 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 2wya h SER 325 CO 0.49 0.16 0.08 0.44 -0.53 0.00 0.00 176.83 177.47 2wya h ASP 326 N 0.53 0.15 -0.67 6.23 3.32 -2.00 -2.17 116.42 121.80 2wya h ASP 326 Ca 0.43 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2wya h ASP 326 Cb 0.62 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 2wya h ASP 326 CO -0.38 0.13 0.30 0.74 -1.72 0.00 0.00 179.24 178.32 2wya h THR 327 N 0.15 1.23 -0.17 0.35 2.02 -1.69 -1.38 112.91 113.42 2wya h THR 327 Ca 0.05 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.55 2wya h THR 327 Cb 0.01 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2wya h THR 327 CO -0.01 0.28 0.07 1.56 0.37 0.00 0.00 175.52 177.80 2wya h GLN 328 N 0.99 0.16 -0.55 6.66 4.20 -0.64 0.14 115.11 126.07 2wya h GLN 328 Ca 0.24 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2wya h GLN 328 Cb 0.15 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2wya h GLN 328 CO -0.03 0.10 0.03 1.79 -0.67 0.00 0.00 178.83 180.06 2wya h THR 329 N 0.16 1.25 -0.03 -0.54 1.35 -1.07 -1.40 112.91 112.63 2wya h THR 329 Ca 0.07 -1.03 -0.11 0.00 -0.55 0.00 0.00 66.41 64.79 2wya h THR 329 Cb 0.03 0.79 0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2wya h THR 329 CO -0.06 0.37 -0.42 0.77 -0.25 0.00 0.00 175.52 175.93 2wya h SER 330 N 0.85 0.41 0.00 5.36 4.64 -0.94 -3.38 113.55 120.50 2wya h SER 330 Ca 0.17 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2wya h SER 330 Cb 0.46 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wya h SER 330 CO 0.02 1.08 -1.25 0.18 -0.87 0.00 0.00 176.83 175.98 2wya n LEU 331 N -4.36 0.27 -2.41 5.97 4.32 0.01 -4.67 117.00 116.13 2wya n LEU 331 Ca -0.09 -0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 55.52 2wya n LEU 331 Cb 0.57 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.40 2wya n LEU 331 CO 0.43 0.07 0.10 -1.22 -1.22 0.00 0.00 177.39 175.54 2wya n TYR 332 N -1.73 2.32 -0.35 -1.77 4.01 -0.53 -4.89 117.16 114.22 2wya n TYR 332 Ca -0.00 -2.48 0.09 0.00 -0.16 0.00 0.00 57.90 55.35 2wya n TYR 332 Cb 0.31 -0.26 0.27 0.00 -0.31 0.00 0.00 39.34 39.35 2wya n TYR 332 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2wya h LYS 333 N 2.49 0.86 0.00 -0.72 6.56 -1.74 0.78 116.57 124.79 2wya h LYS 333 Ca 0.17 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2wya h LYS 333 Cb 1.29 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2wya h LYS 333 CO 0.60 0.57 0.00 0.41 -2.06 0.00 0.00 179.45 178.97 2wya n GLY 334 N -1.34 -0.95 0.09 3.86 0.00 -1.26 -2.90 105.19 102.69 2wya n GLY 334 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.22 2wya n GLY 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wya n LEU 335 N -1.39 0.85 0.11 0.99 4.77 0.25 -4.61 117.00 117.97 2wya n LEU 335 Ca 0.06 -0.58 0.12 0.00 -0.03 0.00 0.00 56.01 55.57 2wya n LEU 335 Cb 0.16 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.87 2wya n LEU 335 CO 0.14 0.19 1.13 -0.33 -1.33 0.00 0.00 177.39 177.19 2wya h GLU 336 N 0.46 0.11 0.00 3.23 5.08 -1.39 0.97 114.58 123.05 2wya h GLU 336 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wya h GLU 336 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2wya h GLU 336 CO 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 2wya n ALA 337 N -2.56 1.25 -0.77 3.43 0.00 -1.26 -2.29 120.51 118.31 2wya n ALA 337 Ca 0.03 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2wya n ALA 337 Cb 0.28 -1.21 0.10 0.00 0.00 0.00 0.00 19.45 18.62 2wya n ALA 337 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wya n PHE 338 N -1.88 0.00 0.27 0.00 3.72 0.33 -4.77 117.46 115.14 2wya n PHE 338 Ca 0.01 -0.86 0.15 0.00 -0.05 0.00 0.00 57.45 56.70 2wya n PHE 338 Cb 0.08 -0.12 0.77 0.00 -0.94 0.00 0.00 39.48 39.27 2wya n PHE 338 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wya h GLY 339 N 0.01 0.00 -2.13 1.37 0.00 -1.47 -1.75 103.07 99.10 2wya h GLY 339 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wya h GLY 339 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wya n GLY 340 N -0.82 1.51 3.99 4.60 0.00 -1.26 -4.98 105.19 108.22 2wya n GLY 340 Ca -0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2wya n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wya s LEU 341 N -1.56 3.19 0.20 0.99 1.43 -0.66 -5.11 118.68 117.17 2wya s LEU 341 Ca 0.37 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 2wya s LEU 341 Cb 0.22 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2wya s LEU 341 CO 0.31 -1.36 0.11 -0.54 0.23 0.00 0.00 176.35 175.10 2wya s LYS 342 N -4.83 2.73 0.24 1.70 -0.14 -1.26 -5.02 119.74 113.16 2wya s LYS 342 Ca 0.60 -1.04 -0.05 0.00 -1.36 0.00 0.00 55.97 54.13 2wya s LYS 342 Cb -0.08 -2.50 0.45 0.00 -1.68 0.00 0.00 37.83 34.02 2wya s LYS 342 CO 0.40 0.44 1.71 -0.07 -0.76 0.00 0.00 175.35 177.07 2wya h LEU 343 N 2.15 0.18 -2.41 3.17 3.38 -1.99 0.19 115.31 119.98 2wya h LEU 343 Ca -0.47 0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2wya h LEU 343 Cb 1.22 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2wya h LEU 343 CO 0.61 0.05 0.14 -0.33 0.09 0.00 0.00 178.44 179.00 2wya h GLU 344 N 0.38 0.00 0.00 1.13 3.07 -1.98 -2.38 114.58 114.79 2wya h GLU 344 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 2wya h GLU 344 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2wya h GLU 344 CO -0.44 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.92 2wya n ASP 345 N -3.52 0.60 0.26 1.42 8.00 0.06 -2.56 116.55 120.82 2wya n ASP 345 Ca -0.01 0.64 0.18 0.00 0.71 0.00 0.00 54.79 56.31 2wya n ASP 345 Cb 0.23 -0.77 0.89 0.00 -0.02 0.00 0.00 41.12 41.45 2wya n ASP 345 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2wya h THR 346 N 0.00 0.00 0.00 -3.53 1.35 -1.57 0.11 112.91 109.27 2wya h THR 346 Ca 0.00 -0.12 -0.13 0.00 -0.55 0.00 0.00 66.41 65.61 2wya h THR 346 Cb 0.38 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 2wya h THR 346 CO 0.00 0.00 -1.51 -1.22 -0.25 0.00 0.00 175.52 172.54 2wya n TYR 347 N -2.78 0.75 -0.03 4.73 4.02 -1.06 -4.41 117.16 118.38 2wya n TYR 347 Ca -0.01 0.24 -0.01 0.00 -0.01 0.00 0.00 57.90 58.11 2wya n TYR 347 Cb 0.12 -0.97 -0.09 0.00 -0.02 0.00 0.00 39.34 38.38 2wya n TYR 347 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2wya n THR 348 N -2.74 0.43 -3.34 -0.72 -2.24 -0.78 -4.94 114.28 99.94 2wya n THR 348 Ca -0.09 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 2wya n THR 348 Cb 0.77 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 2wya n THR 348 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wya s ASN 349 N -3.89 6.20 0.18 3.42 3.84 0.30 -4.96 114.94 120.04 2wya s ASN 349 Ca -0.05 -0.41 -0.03 0.00 0.21 0.00 0.00 52.86 52.58 2wya s ASN 349 Cb 0.05 -2.22 0.07 0.00 -0.55 0.00 0.00 41.25 38.60 2wya s ASN 349 CO 0.45 -0.47 1.47 0.11 -2.79 0.00 0.00 177.10 175.87 2wya h LYS 350 N 8.59 0.52 -0.63 0.43 6.56 -1.91 -0.44 116.57 129.69 2wya h LYS 350 Ca -0.28 -0.37 -0.04 0.00 -1.06 0.00 0.00 60.65 58.91 2wya h LYS 350 Cb 1.13 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.82 2wya h LYS 350 CO 0.75 0.99 0.25 -0.44 -2.06 0.00 0.00 179.45 178.94 2wya h ASP 351 N 0.39 0.88 -0.13 0.86 3.32 -1.97 -1.25 116.42 118.51 2wya h ASP 351 Ca -0.01 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2wya h ASP 351 Cb 1.19 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2wya h ASP 351 CO 0.12 0.81 -0.04 0.25 -1.72 0.00 0.00 179.24 178.66 2wya h LEU 352 N 0.89 0.25 -0.37 1.55 5.85 -1.88 -0.92 115.31 120.69 2wya h LEU 352 Ca 0.21 -0.37 0.07 0.00 0.84 0.00 0.00 57.88 58.63 2wya h LEU 352 Cb 0.21 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2wya h LEU 352 CO -0.02 0.57 -0.03 -0.78 -0.34 0.00 0.00 178.44 177.85 2wya h ASP 353 N -0.06 -0.21 -0.51 1.25 3.58 -0.99 0.14 116.42 119.61 2wya h ASP 353 Ca 0.03 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2wya h ASP 353 Cb 0.46 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 2wya h ASP 353 CO 0.01 -0.07 0.18 0.11 -2.88 0.00 0.00 179.24 176.60 2wya h LYS 354 N 0.07 0.78 -0.62 0.28 1.79 -1.16 -1.06 116.57 116.65 2wya h LYS 354 Ca 0.18 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 2wya h LYS 354 Cb 0.26 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2wya h LYS 354 CO -0.33 0.71 0.18 0.00 -1.08 0.00 0.00 179.45 178.92 2wya h ALA 355 N 1.04 1.15 -0.33 3.86 0.00 -0.75 -1.73 119.26 122.50 2wya h ALA 355 Ca 0.17 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2wya h ALA 355 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wya h ALA 355 CO -0.01 0.58 -0.41 -0.07 0.00 0.00 0.00 179.25 179.34 2wya h LEU 356 N 0.91 0.94 -0.63 0.00 3.38 -0.73 0.27 115.31 119.45 2wya h LEU 356 Ca 0.20 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2wya h LEU 356 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wya h LEU 356 CO -0.01 1.24 0.34 -0.07 0.09 0.00 0.00 178.44 180.04 2wya h LEU 357 N 0.66 0.79 -0.11 1.67 3.38 -1.03 -0.25 115.31 120.42 2wya h LEU 357 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wya h LEU 357 Cb 1.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2wya h LEU 357 CO 0.10 0.66 0.02 0.50 0.09 0.00 0.00 178.44 179.81 2wya h LYS 358 N 0.86 0.17 -0.15 1.13 3.64 -1.22 -1.90 116.57 119.10 2wya h LYS 358 Ca 0.22 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 2wya h LYS 358 Cb 0.05 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 2wya h LYS 358 CO -0.04 0.36 -0.10 0.00 -2.27 0.00 0.00 179.45 177.40 2wya h ALA 359 N 0.81 1.55 -0.29 5.00 0.00 -0.77 -2.85 119.26 122.70 2wya h ALA 359 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2wya h ALA 359 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wya h ALA 359 CO 0.00 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2wya n SER 360 N -4.30 3.23 -0.12 0.00 3.41 -0.12 -4.59 113.62 111.13 2wya n SER 360 Ca -0.01 -1.97 -0.07 0.00 -0.26 0.00 0.00 58.87 56.56 2wya n SER 360 Cb 0.24 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 2wya n SER 360 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2wya h GLN 361 N 4.37 0.44 -0.48 4.33 5.75 -1.09 0.61 115.11 129.04 2wya h GLN 361 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2wya h GLN 361 Cb 0.95 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 2wya h GLN 361 CO 0.00 0.29 0.23 -0.44 -2.65 0.00 0.00 178.83 176.26 2wya h ASP 362 N 0.45 0.62 -0.75 -0.69 3.32 -1.81 -0.28 116.42 117.29 2wya h ASP 362 Ca 0.15 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2wya h ASP 362 Cb 0.01 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2wya h ASP 362 CO -0.08 0.57 0.24 0.24 -1.72 0.00 0.00 179.24 178.49 2wya h MET 363 N 0.62 1.16 -0.17 3.56 2.86 -1.77 -1.24 114.93 119.95 2wya h MET 363 Ca 0.16 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2wya h MET 363 Cb 0.12 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2wya h MET 363 CO -0.02 0.98 0.11 0.35 1.06 0.00 0.00 176.91 179.40 2wya h PHE 364 N 1.11 0.22 -0.78 -0.22 3.57 -0.58 0.18 116.94 120.44 2wya h PHE 364 Ca 0.24 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2wya h PHE 364 Cb 0.31 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2wya h PHE 364 CO 0.03 0.14 0.50 -0.44 -2.23 0.00 0.00 178.31 176.31 2wya h ASP 365 N 0.23 0.90 0.26 0.41 3.32 -0.76 0.59 116.42 121.37 2wya h ASP 365 Ca 0.06 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.74 2wya h ASP 365 Cb -0.03 -0.23 0.02 0.00 0.22 0.00 0.00 39.33 39.32 2wya h ASP 365 CO -0.01 0.66 -1.60 0.11 -1.72 0.00 0.00 179.24 176.68 2wya h LYS 366 N 1.06 0.45 0.00 3.56 1.57 -0.93 -3.38 116.57 118.90 2wya h LYS 366 Ca 0.28 -0.77 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 2wya h LYS 366 Cb -0.10 0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2wya h LYS 366 CO -0.06 1.36 -2.08 1.63 -0.57 0.00 0.00 179.45 179.73 2wya n LYS 367 N -3.64 0.74 0.00 3.15 5.02 0.62 -4.83 118.16 119.23 2wya n LYS 367 Ca -0.20 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 2wya n LYS 367 Cb 1.09 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 2wya n LYS 367 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wya n THR 368 N -2.41 0.00 -0.19 -0.18 -1.04 -0.65 -1.45 114.28 108.36 2wya n THR 368 Ca -0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.84 2wya n THR 368 Cb 0.77 -0.31 0.08 0.00 -1.82 0.00 0.00 70.33 69.05 2wya n THR 368 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2wya h LYS 369 N 0.00 0.42 -0.11 -2.82 3.64 -1.10 -1.47 116.57 115.12 2wya h LYS 369 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2wya h LYS 369 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2wya h LYS 369 CO 0.00 0.28 -0.04 0.00 -2.27 0.00 0.00 179.45 177.42 2wya h ALA 370 N 1.36 1.72 0.00 5.00 0.00 -1.85 -1.85 119.26 123.64 2wya h ALA 370 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wya h ALA 370 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wya h ALA 370 CO -0.25 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 2wya n SER 371 N -4.39 0.09 -0.73 0.00 3.41 -0.56 -2.81 113.62 108.62 2wya n SER 371 Ca -0.01 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.24 2wya n SER 371 Cb 0.18 -0.54 0.33 0.00 -0.26 0.00 0.00 64.21 63.92 2wya n SER 371 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wya n LEU 372 N -1.60 2.24 0.17 1.04 4.77 -0.69 -4.29 117.00 118.63 2wya n LEU 372 Ca 0.03 -0.85 -0.14 0.00 -0.03 0.00 0.00 56.01 55.01 2wya n LEU 372 Cb 0.16 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2wya n LEU 372 CO 0.13 0.43 0.78 0.22 -1.33 0.00 0.00 177.39 177.62 2wya h TYR 373 N 3.19 -0.33 -0.63 -1.77 3.20 -1.69 -0.25 116.97 118.69 2wya h TYR 373 Ca 0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 2wya h TYR 373 Cb 0.69 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 2wya h TYR 373 CO 0.08 -0.20 0.41 1.25 -1.64 0.00 0.00 178.16 178.06 2wya h LEU 374 N -0.35 0.70 -0.73 2.82 5.85 -1.85 -2.26 115.31 119.49 2wya h LEU 374 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2wya h LEU 374 Cb 0.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2wya h LEU 374 CO 0.05 0.50 0.46 0.28 -0.34 0.00 0.00 178.44 179.39 2wya h SER 375 N 0.83 0.86 0.88 1.25 0.02 -1.75 0.30 113.55 115.94 2wya h SER 375 Ca 0.24 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2wya h SER 375 Cb -0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2wya h SER 375 CO -0.06 0.65 -0.23 0.00 -1.14 0.00 0.00 176.83 176.06 2wya h THR 376 N 0.99 0.57 -0.00 -2.27 1.03 -0.79 0.10 112.91 112.55 2wya h THR 376 Ca 0.26 -1.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.56 2wya h THR 376 Cb -0.06 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 2wya h THR 376 CO -0.05 0.22 -0.79 1.41 -0.01 0.00 0.00 175.52 176.30 2wya n HIS 377 N -3.42 0.00 0.00 0.00 -0.00 -0.64 -0.69 115.22 110.47 2wya n HIS 377 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2wya n HIS 377 Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2wya n HIS 377 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 2wya n ASN 378 N -1.23 2.32 0.00 0.41 5.15 0.95 -4.21 115.26 118.65 2wya n ASN 378 Ca 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 2wya n ASN 378 Cb 0.35 0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2wya n ASN 378 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wya n GLY 379 N 1.52 -1.82 3.58 8.20 0.00 0.35 -0.65 105.19 116.38 2wya n GLY 379 Ca 0.00 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 2wya n GLY 379 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wya s ASN 380 N -4.00 6.58 -0.40 1.61 3.84 -0.55 -4.65 114.94 117.37 2wya s ASN 380 Ca 0.00 0.35 0.05 0.00 0.21 0.00 0.00 52.86 53.47 2wya s ASN 380 Cb 0.00 -2.44 0.58 0.00 -0.55 0.00 0.00 41.25 38.84 2wya s ASN 380 CO 0.00 -0.88 1.73 1.15 -2.79 0.00 0.00 177.10 176.31 2wya n MET 381 N 6.79 2.17 0.00 0.43 0.00 -1.26 -2.35 117.12 122.89 2wya n MET 381 Ca 0.05 -3.15 0.00 0.00 0.00 0.00 0.00 57.70 54.61 2wya n MET 381 Cb 0.48 -2.05 0.00 0.00 0.00 0.00 0.00 33.22 31.65 2wya n MET 381 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2wya n TYR 382 N -1.11 0.00 0.02 3.17 4.01 -1.26 -2.61 117.16 119.38 2wya n TYR 382 Ca 0.49 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.37 2wya n TYR 382 Cb 1.32 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.94 2wya n TYR 382 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wya h THR 383 N 0.00 0.88 -0.23 -0.72 1.35 -1.81 -0.91 112.91 111.47 2wya h THR 383 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2wya h THR 383 Cb 0.00 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 2wya h THR 383 CO 0.00 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 173.77 2wya n SER 384 N -4.46 2.39 0.09 5.36 3.41 -1.07 -4.41 113.62 114.93 2wya n SER 384 Ca 0.07 -1.82 -0.13 0.00 -0.26 0.00 0.00 58.87 56.73 2wya n SER 384 Cb 0.37 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2wya n SER 384 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2wya h SER 385 N 3.20 -0.17 -0.94 4.04 0.87 -1.29 0.67 113.55 119.93 2wya h SER 385 Ca 0.00 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2wya h SER 385 Cb 0.70 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.65 2wya h SER 385 CO 0.00 -0.11 0.60 0.25 -0.53 0.00 0.00 176.83 177.04 2wya h LEU 386 N -0.17 0.97 -0.43 2.23 5.85 -1.77 -1.66 115.31 120.33 2wya h LEU 386 Ca -0.01 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2wya h LEU 386 Cb 0.15 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2wya h LEU 386 CO 0.01 0.63 -0.40 1.88 -0.34 0.00 0.00 178.44 180.21 2wya h TYR 387 N 1.11 0.00 -0.12 1.25 -1.99 -1.71 -1.40 116.97 114.12 2wya h TYR 387 Ca 0.40 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 61.05 2wya h TYR 387 Cb 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 2wya h TYR 387 CO -0.01 0.40 -0.29 0.78 -0.00 0.00 0.00 178.16 179.03 2wya h GLY 388 N 2.91 0.23 1.40 3.88 0.00 -0.21 -1.41 103.07 109.87 2wya h GLY 388 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 2wya h GLY 388 CO 0.05 0.17 -0.48 0.00 0.00 0.00 0.00 176.54 176.28 2wya h LEU 390 N 0.51 0.76 -0.82 0.00 5.85 -1.02 -0.49 115.31 120.10 2wya h LEU 390 Ca 0.03 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2wya h LEU 390 Cb 1.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2wya h LEU 390 CO 0.10 0.62 0.52 0.00 -0.34 0.00 0.00 178.44 179.34 2wya h ALA 391 N 1.17 1.04 -0.63 1.25 0.00 -0.98 -1.51 119.26 119.60 2wya h ALA 391 Ca 0.22 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2wya h ALA 391 Cb 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 2wya h ALA 391 CO -0.04 0.48 0.10 0.77 0.00 0.00 0.00 179.25 180.55 2wya h SER 392 N 1.12 0.99 -0.03 0.00 0.02 -0.67 -0.43 113.55 114.55 2wya h SER 392 Ca 0.30 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2wya h SER 392 Cb -0.09 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 2wya h SER 392 CO -0.06 0.99 0.02 0.25 -1.14 0.00 0.00 176.83 176.89 2wya h LEU 393 N 0.97 0.04 -1.47 5.07 5.85 -0.69 -2.27 115.31 122.81 2wya h LEU 393 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2wya h LEU 393 Cb 0.43 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2wya h LEU 393 CO 0.01 0.06 0.23 -0.07 -0.34 0.00 0.00 178.44 178.33 2wya h LEU 394 N 0.01 0.52 -0.81 2.25 3.38 -1.05 -2.59 115.31 117.03 2wya h LEU 394 Ca 0.01 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2wya h LEU 394 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wya h LEU 394 CO -0.00 0.43 -0.48 0.77 0.09 0.00 0.00 178.44 179.25 2wya h SER 395 N 0.60 0.00 0.34 -0.43 4.64 -0.71 -3.29 113.55 114.69 2wya h SER 395 Ca 0.15 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.15 2wya h SER 395 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2wya h SER 395 CO -0.02 0.48 -1.67 -0.74 -0.87 0.00 0.00 176.83 174.00 2wya h HIS 396 N 0.00 0.50 -2.82 4.77 -0.00 -1.05 -3.43 115.15 113.12 2wya h HIS 396 Ca -0.00 -0.36 -0.59 0.00 -0.00 0.00 0.00 60.37 59.41 2wya h HIS 396 Cb 1.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 28.35 2wya h HIS 396 CO 0.00 1.49 -0.51 -1.01 -0.00 0.00 0.00 177.93 177.89 2wya s HIS 397 N -2.60 3.41 0.64 5.26 3.76 -1.04 -5.11 115.29 119.63 2wya s HIS 397 Ca -0.12 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 54.83 2wya s HIS 397 Cb 0.06 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 32.05 2wya s HIS 397 CO 0.84 0.55 1.04 -1.54 -0.85 0.00 0.00 174.74 174.78 2wya s SER 398 N -2.79 5.98 0.26 1.40 1.04 -1.26 -4.86 113.70 113.47 2wya s SER 398 Ca 0.33 1.48 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 2wya s SER 398 Cb -0.12 -2.48 0.36 0.00 0.10 0.00 0.00 66.02 63.88 2wya s SER 398 CO 0.27 -1.04 1.89 0.00 0.98 0.00 0.00 173.24 175.34 2wya h ALA 399 N -0.42 1.34 -0.69 5.32 0.00 -1.91 -2.02 119.26 120.88 2wya h ALA 399 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2wya h ALA 399 Cb 1.20 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2wya h ALA 399 CO 0.60 0.49 0.32 0.37 0.00 0.00 0.00 179.25 181.03 2wya h GLN 400 N 1.21 0.98 -0.55 0.00 5.75 -1.93 -0.34 115.11 120.23 2wya h GLN 400 Ca 0.41 -0.13 -0.10 0.00 -0.15 0.00 0.00 58.65 58.68 2wya h GLN 400 Cb 0.08 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 2wya h GLN 400 CO -0.15 0.76 -0.04 0.93 -2.65 0.00 0.00 178.83 177.68 2wya h GLU 401 N 0.97 0.97 0.00 1.69 5.08 -1.77 -3.16 114.58 118.36 2wya h GLU 401 Ca 0.24 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2wya h GLU 401 Cb 0.11 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2wya h GLU 401 CO -0.03 0.98 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.46 2wya h LEU 402 N 0.88 0.00 -9.31 1.33 3.38 -1.00 -3.47 115.31 107.13 2wya h LEU 402 Ca 0.15 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.46 2wya h LEU 402 Cb 0.58 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.37 2wya h LEU 402 CO 0.03 0.39 0.62 0.00 0.09 0.00 0.00 178.44 179.58 2wya n ALA 403 N -2.20 -0.23 -0.95 1.53 0.00 -0.17 -1.60 120.51 116.88 2wya n ALA 403 Ca 0.02 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2wya n ALA 403 Cb 0.69 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2wya n ALA 403 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wya n GLY 404 N 3.03 1.06 3.91 0.00 0.00 -0.40 -4.89 105.19 107.90 2wya n GLY 404 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 2wya n GLY 404 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wya s SER 405 N -3.03 5.36 -0.19 1.61 1.04 -0.62 -4.68 113.70 113.19 2wya s SER 405 Ca 0.00 0.73 -0.07 0.00 0.48 0.00 0.00 55.95 57.10 2wya s SER 405 Cb 0.00 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 2wya s SER 405 CO 0.00 -1.26 0.04 -0.60 0.98 0.00 0.00 173.24 172.41 2wya s ARG 406 N -5.13 3.84 -0.31 4.02 3.52 -1.26 -0.86 118.95 122.77 2wya s ARG 406 Ca 0.56 -0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.68 2wya s ARG 406 Cb -0.11 -3.18 0.02 0.00 -1.56 0.00 0.00 34.95 30.12 2wya s ARG 406 CO 0.46 0.16 0.11 0.42 -0.81 0.00 0.00 175.30 175.64 2wya s ILE 407 N 0.65 4.07 0.40 4.11 1.01 -0.44 -1.30 121.20 129.70 2wya s ILE 407 Ca 0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 2wya s ILE 407 Cb -0.13 -3.15 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 2wya s ILE 407 CO 0.02 -0.01 0.88 -0.83 0.00 0.00 0.00 174.94 175.00 2wya s GLY 408 N 1.50 2.33 -0.03 6.18 0.00 0.07 -0.91 107.32 116.46 2wya s GLY 408 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 2wya s GLY 408 CO 0.03 0.50 0.06 0.00 0.00 0.00 0.00 173.10 173.70 2wya s ALA 409 N -2.16 -0.04 -0.17 3.20 0.00 0.20 -0.90 121.76 121.89 2wya s ALA 409 Ca 0.59 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2wya s ALA 409 Cb -0.09 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2wya s ALA 409 CO 0.16 -0.11 -0.18 0.12 0.00 0.00 0.00 175.76 175.75 2wya s PHE 410 N 0.96 2.76 -0.12 0.00 5.36 -0.14 -1.12 117.98 125.68 2wya s PHE 410 Ca -0.08 -1.37 -0.00 0.00 -0.96 0.00 0.00 56.93 54.51 2wya s PHE 410 Cb -0.11 -1.90 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2wya s PHE 410 CO -0.03 -0.66 -0.11 0.45 -1.46 0.00 0.00 175.22 173.40 2wya s SER 411 N 1.07 4.17 0.03 6.13 0.15 -0.10 -0.90 113.70 124.25 2wya s SER 411 Ca -0.01 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.43 2wya s SER 411 Cb -0.14 -1.55 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2wya s SER 411 CO -0.06 0.19 -0.16 -0.47 1.20 0.00 0.00 173.24 173.94 2wya s TYR 412 N 0.19 1.41 -0.03 3.44 5.04 -1.26 -1.28 117.35 124.86 2wya s TYR 412 Ca -0.07 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.24 2wya s TYR 412 Cb -0.15 -0.85 0.02 0.00 0.35 0.00 0.00 41.96 41.32 2wya s TYR 412 CO 0.05 0.03 -0.03 0.20 -1.34 0.00 0.00 175.55 174.46 2wya s GLY 413 N -0.92 0.30 0.73 8.97 0.00 0.52 -3.63 107.32 113.29 2wya s GLY 413 Ca 0.04 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.62 2wya s GLY 413 CO 0.01 0.35 1.06 1.44 0.00 0.00 0.00 173.10 175.96 2wya n SER 414 N 3.81 0.83 0.00 1.64 7.64 -1.26 -0.89 113.62 125.38 2wya n SER 414 Ca -0.23 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2wya n SER 414 Cb 0.52 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2wya n SER 414 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wya n GLY 415 N 0.97 1.25 3.13 0.23 0.00 -1.26 -4.44 105.19 105.07 2wya n GLY 415 Ca 0.14 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2wya n GLY 415 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wya s LEU 416 N 0.00 2.46 -0.02 0.99 0.05 0.34 -1.04 118.68 121.46 2wya s LEU 416 Ca 0.00 -0.92 0.01 0.00 0.05 0.00 0.00 54.13 53.27 2wya s LEU 416 Cb 0.00 -0.03 0.01 0.00 -2.05 0.00 0.00 46.19 44.12 2wya s LEU 416 CO 0.00 -0.44 -0.02 0.00 -0.55 0.00 0.00 176.35 175.33 2wya s ALA 417 N -3.26 0.33 -0.03 1.48 0.00 -0.07 -2.47 121.76 117.75 2wya s ALA 417 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.86 2wya s ALA 417 Cb 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2wya s ALA 417 CO -0.05 0.01 0.33 0.00 0.00 0.00 0.00 175.76 176.06 2wya s ALA 418 N 0.43 -0.85 -0.06 0.00 0.00 -0.45 -0.36 121.76 120.48 2wya s ALA 418 Ca -0.04 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 2wya s ALA 418 Cb -0.07 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.07 2wya s ALA 418 CO -0.01 -0.26 0.15 -1.12 0.00 0.00 0.00 175.76 174.52 2wya s SER 419 N -1.18 -0.15 -0.18 0.00 0.01 -0.41 -1.17 113.70 110.62 2wya s SER 419 Ca -0.12 0.30 -0.04 0.00 1.31 0.00 0.00 55.95 57.40 2wya s SER 419 Cb -0.05 0.30 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 2wya s SER 419 CO 0.04 -0.06 -0.02 0.12 0.41 0.00 0.00 173.24 173.73 2wya s PHE 420 N 0.15 3.02 0.19 2.43 5.36 0.65 -0.92 117.98 128.86 2wya s PHE 420 Ca -0.01 -0.43 -0.00 0.00 -0.96 0.00 0.00 56.93 55.54 2wya s PHE 420 Cb -0.02 -2.02 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2wya s PHE 420 CO -0.00 -0.17 0.25 1.97 -1.46 0.00 0.00 175.22 175.80 2wya n PHE 421 N 3.94 -0.89 -3.68 10.12 1.16 -0.27 -0.48 117.46 127.37 2wya n PHE 421 Ca -0.17 -1.33 -0.10 0.00 -1.87 0.00 0.00 57.45 53.97 2wya n PHE 421 Cb 0.52 0.28 -0.05 0.00 -1.61 0.00 0.00 39.48 38.61 2wya n PHE 421 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2wya s SER 422 N -2.20 -0.18 0.06 5.98 1.04 -1.26 -0.63 113.70 116.52 2wya s SER 422 Ca 0.17 -0.33 0.07 0.00 0.48 0.00 0.00 55.95 56.34 2wya s SER 422 Cb -0.00 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2wya s SER 422 CO 0.12 -0.80 -0.17 -0.36 0.98 0.00 0.00 173.24 173.01 2wya s PHE 423 N -3.61 2.57 -0.20 5.02 0.08 -0.09 -0.83 117.98 120.92 2wya s PHE 423 Ca 0.02 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 2wya s PHE 423 Cb 0.02 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.00 2wya s PHE 423 CO -0.10 0.30 0.03 0.50 -0.10 0.00 0.00 175.22 175.84 2wya s ARG 424 N -1.66 3.72 0.07 0.44 6.06 0.71 -1.33 118.95 126.96 2wya s ARG 424 Ca 0.16 -0.47 -0.24 0.00 -2.50 0.00 0.00 55.73 52.68 2wya s ARG 424 Cb -0.11 -3.15 -0.06 0.00 0.06 0.00 0.00 34.95 31.69 2wya s ARG 424 CO 0.07 0.06 0.73 0.08 -2.50 0.00 0.00 175.30 173.73 2wya s VAL 425 N 0.91 4.67 0.55 7.11 1.01 -0.04 -1.42 120.40 133.19 2wya s VAL 425 Ca 0.02 1.56 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 2wya s VAL 425 Cb -0.14 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 2wya s VAL 425 CO 0.02 0.43 0.69 -0.24 0.00 0.00 0.00 175.10 176.00 2wya n SER 426 N 2.40 -0.31 0.19 3.32 2.88 0.30 -1.83 113.62 120.57 2wya n SER 426 Ca -0.05 0.80 0.14 0.00 -1.33 0.00 0.00 58.87 58.43 2wya n SER 426 Cb 0.50 -1.24 0.41 0.00 -0.75 0.00 0.00 64.21 63.13 2wya n SER 426 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2wya h GLN 427 N 0.50 0.00 -5.97 -1.46 1.08 -1.92 -1.06 115.11 106.28 2wya h GLN 427 Ca -0.46 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.13 2wya h GLN 427 Cb 1.38 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.70 2wya h GLN 427 CO 0.49 0.00 0.50 0.34 -0.95 0.00 0.00 178.83 179.21 2wya s ASP 428 N -5.28 6.44 -0.10 1.46 2.15 -1.26 -4.76 116.67 115.33 2wya s ASP 428 Ca 0.06 -0.04 0.15 0.00 0.43 0.00 0.00 52.55 53.15 2wya s ASP 428 Cb 0.09 -2.42 0.23 0.00 -0.30 0.00 0.00 42.92 40.51 2wya s ASP 428 CO 0.57 -1.03 1.13 0.00 -0.17 0.00 0.00 175.17 175.67 2wya n ALA 429 N 7.04 2.22 -1.47 3.66 0.00 -1.26 -4.40 120.51 126.31 2wya n ALA 429 Ca 0.04 -2.23 -0.34 0.00 0.00 0.00 0.00 53.44 50.90 2wya n ALA 429 Cb 0.48 -0.30 0.07 0.00 0.00 0.00 0.00 19.45 19.70 2wya n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wya s ALA 430 N -2.43 2.26 0.20 0.00 0.00 -1.26 -4.62 121.76 115.91 2wya s ALA 430 Ca 0.25 0.86 -0.33 0.00 0.00 0.00 0.00 51.96 52.74 2wya s ALA 430 Cb 0.22 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 2wya s ALA 430 CO 0.03 -1.64 1.48 -2.30 0.00 0.00 0.00 175.76 173.33 2wya n PRO 431 N -2.44 2.05 -0.25 0.00 -0.02 -1.26 -1.38 135.00 131.70 2wya n PRO 431 Ca 0.13 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2wya n PRO 431 Cb 0.50 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2wya n PRO 431 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wya n GLY 432 N 2.72 1.47 3.75 -1.23 0.00 -1.26 -5.04 105.19 105.60 2wya n GLY 432 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 2wya n GLY 432 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wya s SER 433 N -3.16 4.13 0.31 1.61 1.04 -0.48 -4.77 113.70 112.37 2wya s SER 433 Ca 0.00 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.32 2wya s SER 433 Cb 0.00 -2.50 0.62 0.00 0.10 0.00 0.00 66.02 64.24 2wya s SER 433 CO 0.00 -2.28 1.87 -0.65 0.98 0.00 0.00 173.24 173.15 2wya h PRO 434 N -1.30 0.90 -0.25 4.02 0.11 -1.88 -0.12 132.00 133.47 2wya h PRO 434 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2wya h PRO 434 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2wya h PRO 434 CO 0.50 0.59 0.00 1.25 -0.21 0.00 0.00 178.00 180.13 2wya h LEU 435 N 0.92 0.44 -0.60 2.35 5.85 -1.92 -1.61 115.31 120.74 2wya h LEU 435 Ca 0.46 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wya h LEU 435 Cb 0.47 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2wya h LEU 435 CO -0.22 0.64 0.36 -0.78 -0.34 0.00 0.00 178.44 178.10 2wya h ASP 436 N 0.23 0.58 -0.36 1.25 3.58 -1.60 0.12 116.42 120.21 2wya h ASP 436 Ca 0.07 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.54 2wya h ASP 436 Cb 0.41 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2wya h ASP 436 CO 0.01 0.40 0.23 0.11 -2.88 0.00 0.00 179.24 177.11 2wya h LYS 437 N 0.70 0.46 -0.07 0.28 1.57 -0.94 0.56 116.57 119.13 2wya h LYS 437 Ca 0.25 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2wya h LYS 437 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2wya h LYS 437 CO -0.12 0.30 0.03 1.25 -0.57 0.00 0.00 179.45 180.35 2wya h LEU 438 N 0.47 0.09 -0.07 2.94 5.85 -0.83 -1.84 115.31 121.92 2wya h LEU 438 Ca 0.13 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wya h LEU 438 Cb -0.04 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 2wya h LEU 438 CO -0.04 0.21 0.05 0.58 -0.34 0.00 0.00 178.44 178.90 2wya h VAL 439 N -0.04 1.03 -0.92 1.05 2.07 -0.89 -2.74 116.25 115.81 2wya h VAL 439 Ca 0.02 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.58 2wya h VAL 439 Cb 0.15 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 2wya h VAL 439 CO -0.00 0.03 0.59 -1.28 0.02 0.00 0.00 177.57 176.93 2wya h SER 440 N 0.08 0.81 0.26 0.57 0.87 -0.82 -1.31 113.55 114.01 2wya h SER 440 Ca 0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2wya h SER 440 Cb 0.01 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2wya h SER 440 CO -0.01 0.45 0.00 -1.54 -0.53 0.00 0.00 176.83 175.21 2wya n SER 441 N -4.56 0.46 -0.31 6.23 3.41 -0.70 -2.09 113.62 116.06 2wya n SER 441 Ca 0.16 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.51 2wya n SER 441 Cb 0.35 -0.75 0.01 0.00 -0.26 0.00 0.00 64.21 63.56 2wya n SER 441 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wya n THR 442 N -2.07 0.00 0.26 6.66 -2.24 -0.50 -4.69 114.28 111.70 2wya n THR 442 Ca 0.00 -0.39 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 2wya n THR 442 Cb 0.10 1.16 0.68 0.00 -2.10 0.00 0.00 70.33 70.17 2wya n THR 442 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wya h SER 443 N 1.52 0.00 -0.33 3.42 0.02 -1.37 -2.02 113.55 114.79 2wya h SER 443 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wya h SER 443 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2wya h SER 443 CO 0.00 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 174.89 2wya n ASP 444 N -4.03 2.00 -0.09 3.07 5.75 -1.26 -4.46 116.55 117.53 2wya n ASP 444 Ca -0.02 -2.05 -0.06 0.00 -0.01 0.00 0.00 54.79 52.64 2wya n ASP 444 Cb 0.19 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 2wya n ASP 444 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2wya h LEU 445 N 1.98 -0.21 -1.07 -2.12 5.85 -1.71 -0.02 115.31 118.02 2wya h LEU 445 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2wya h LEU 445 Cb 0.55 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2wya h LEU 445 CO 0.03 -0.07 0.36 -0.65 -0.34 0.00 0.00 178.44 177.77 2wya h PRO 446 N 0.05 1.02 -0.66 5.25 0.11 -1.85 -0.61 132.00 135.30 2wya h PRO 446 Ca 0.16 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2wya h PRO 446 Cb 0.23 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 2wya h PRO 446 CO -0.30 0.77 0.36 0.87 -0.21 0.00 0.00 178.00 179.50 2wya h LYS 447 N 1.02 0.92 -0.45 1.05 1.57 -1.68 -0.75 116.57 118.26 2wya h LYS 447 Ca 0.25 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2wya h LYS 447 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2wya h LYS 447 CO -0.04 0.69 0.20 0.00 -0.57 0.00 0.00 179.45 179.74 2wya h ARG 448 N 0.91 0.66 -0.96 3.15 3.08 -0.56 -1.97 114.38 118.68 2wya h ARG 448 Ca 0.23 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.19 2wya h ARG 448 Cb 0.04 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 2wya h ARG 448 CO -0.04 0.58 0.63 -0.07 -1.07 0.00 0.00 179.97 180.01 2wya h LEU 449 N 0.58 1.08 -1.77 3.04 3.38 -0.93 -2.44 115.31 118.25 2wya h LEU 449 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wya h LEU 449 Cb 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2wya h LEU 449 CO -0.02 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.25 2wya h ALA 450 N 1.37 1.03 -0.00 1.53 0.00 -0.62 -2.71 119.26 119.85 2wya h ALA 450 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2wya h ALA 450 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wya h ALA 450 CO -0.09 0.04 -0.05 -1.13 0.00 0.00 0.00 179.25 178.02 2wya n SER 451 N -3.16 0.18 -4.78 0.00 3.41 -0.79 -4.86 113.62 103.62 2wya n SER 451 Ca -0.00 -0.34 -0.30 0.00 -0.26 0.00 0.00 58.87 57.97 2wya n SER 451 Cb 0.27 -0.19 0.10 0.00 -0.26 0.00 0.00 64.21 64.13 2wya n SER 451 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wya s ARG 452 N -2.52 1.95 -0.18 4.33 0.52 -1.03 -5.04 118.95 117.00 2wya s ARG 452 Ca 0.29 0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 56.20 2wya s ARG 452 Cb 0.20 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 2wya s ARG 452 CO 0.47 -1.75 0.14 0.21 0.02 0.00 0.00 175.30 174.39 2wya s LYS 453 N -5.05 3.98 0.08 3.54 2.36 -0.19 -4.96 119.74 119.50 2wya s LYS 453 Ca 0.61 -0.18 -0.30 0.00 -2.55 0.00 0.00 55.97 53.55 2wya s LYS 453 Cb -0.16 -3.35 -0.05 0.00 -1.05 0.00 0.00 37.83 33.22 2wya s LYS 453 CO 0.55 0.44 1.03 0.00 1.55 0.00 0.00 175.35 178.92 2wya s VAL 455 N 0.49 2.69 0.69 0.00 1.01 -0.01 -4.93 120.40 120.34 2wya s VAL 455 Ca 0.51 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 2wya s VAL 455 Cb -0.25 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2wya s VAL 455 CO 0.30 0.58 1.26 -0.94 0.00 0.00 0.00 175.10 176.30 2wya s SER 456 N -0.63 4.40 0.45 3.32 1.04 -1.26 -4.35 113.70 116.66 2wya s SER 456 Ca 0.10 2.51 0.12 0.00 0.48 0.00 0.00 55.95 59.16 2wya s SER 456 Cb -0.11 -2.61 1.03 0.00 0.10 0.00 0.00 66.02 64.43 2wya s SER 456 CO 0.00 -2.14 2.05 -0.65 0.98 0.00 0.00 173.24 173.49 2wya h PRO 457 N 0.17 0.35 0.07 4.02 0.11 -1.93 0.11 132.00 134.91 2wya h PRO 457 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wya h PRO 457 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wya h PRO 457 CO 0.51 0.23 -0.03 0.93 -0.21 0.00 0.00 178.00 179.44 2wya h GLU 458 N 0.36 -0.09 -0.32 1.05 3.07 -1.97 -0.73 114.58 115.95 2wya h GLU 458 Ca 0.16 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.90 2wya h GLU 458 Cb 0.19 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2wya h GLU 458 CO -0.04 0.02 -0.31 1.49 -1.40 0.00 0.00 179.01 178.78 2wya h GLU 459 N -0.18 0.69 -0.59 2.33 4.81 -1.81 -1.85 114.58 117.98 2wya h GLU 459 Ca -0.01 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 58.96 2wya h GLU 459 Cb 0.15 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 2wya h GLU 459 CO 0.02 0.91 0.32 0.35 -0.73 0.00 0.00 179.01 179.87 2wya h PHE 460 N 0.58 0.58 -0.60 0.92 3.57 -0.91 -0.40 116.94 120.68 2wya h PHE 460 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2wya h PHE 460 Cb 0.82 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2wya h PHE 460 CO 0.04 0.29 0.18 1.15 -2.23 0.00 0.00 178.31 177.73 2wya h THR 461 N 0.60 1.25 -0.76 4.41 2.02 -0.81 -0.55 112.91 119.06 2wya h THR 461 Ca 0.26 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2wya h THR 461 Cb 0.15 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2wya h THR 461 CO -0.16 0.32 0.48 -0.33 0.37 0.00 0.00 175.52 176.20 2wya h GLU 462 N 0.87 1.02 -0.65 6.66 3.07 -0.89 0.20 114.58 124.86 2wya h GLU 462 Ca 0.19 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 2wya h GLU 462 Cb 0.31 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 2wya h GLU 462 CO -0.00 0.70 0.10 0.82 -1.40 0.00 0.00 179.01 179.23 2wya h ILE 463 N 1.04 1.26 -0.58 3.13 2.04 -0.63 0.03 117.51 123.81 2wya h ILE 463 Ca 0.28 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2wya h ILE 463 Cb -0.08 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2wya h ILE 463 CO -0.06 0.38 0.27 0.24 0.00 0.00 0.00 178.15 178.98 2wya h MET 464 N 0.99 0.84 -0.72 2.37 2.86 -0.72 -1.28 114.93 119.27 2wya h MET 464 Ca 0.20 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2wya h MET 464 Cb 0.43 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2wya h MET 464 CO 0.01 0.69 0.38 -0.91 1.06 0.00 0.00 176.91 178.14 2wya h ASN 465 N 0.78 0.90 -0.86 1.22 2.35 -0.64 -1.89 115.58 117.45 2wya h ASN 465 Ca 0.20 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2wya h ASN 465 Cb 0.14 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2wya h ASN 465 CO -0.02 0.73 0.47 -0.61 -1.65 0.00 0.00 177.43 176.35 2wya h GLN 466 N 1.01 1.20 -0.75 0.81 4.15 -0.59 -1.37 115.11 119.57 2wya h GLN 466 Ca 0.25 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.59 2wya h GLN 466 Cb 0.05 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 27.45 2wya h GLN 466 CO -0.04 0.88 0.45 0.00 -1.93 0.00 0.00 178.83 178.18 2wya h ARG 467 N 1.20 0.80 -0.44 1.69 3.08 -0.43 -0.90 114.38 119.38 2wya h ARG 467 Ca 0.30 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 2wya h ARG 467 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2wya h ARG 467 CO -0.05 0.53 0.16 0.93 -1.07 0.00 0.00 179.97 180.47 2wya h GLU 468 N 0.83 0.67 -0.55 0.04 5.08 -1.07 -1.88 114.58 117.69 2wya h GLU 468 Ca 0.32 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2wya h GLU 468 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2wya h GLU 468 CO -0.16 0.64 0.09 1.96 -1.00 0.00 0.00 179.01 180.54 2wya h GLN 469 N 0.57 0.88 -0.01 2.33 4.20 -0.75 -3.16 115.11 119.17 2wya h GLN 469 Ca 0.14 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2wya h GLN 469 Cb 0.23 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2wya h GLN 469 CO -0.01 0.82 -0.34 1.19 -0.67 0.00 0.00 178.83 179.82 2wya n PHE 470 N -4.25 0.00 -0.28 2.96 3.72 -0.39 -4.59 117.46 114.64 2wya n PHE 470 Ca 0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 2wya n PHE 470 Cb 0.26 -0.03 0.19 0.00 -0.94 0.00 0.00 39.48 38.96 2wya n PHE 470 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2wya h TYR 471 N 2.33 0.02 -0.02 1.38 5.03 -1.30 -2.22 116.97 122.19 2wya h TYR 471 Ca 0.00 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2wya h TYR 471 Cb 0.70 0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.10 2wya h TYR 471 CO 0.00 -0.26 -0.01 0.72 -1.32 0.00 0.00 178.16 177.29 2wya n HIS 472 N -5.34 0.00 -1.93 -3.82 8.25 -1.26 -5.03 115.22 106.09 2wya n HIS 472 Ca 0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.24 2wya n HIS 472 Cb 0.54 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.68 2wya n HIS 472 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2wya s LYS 473 N -1.36 3.22 0.36 -0.41 -0.14 -0.84 -5.05 119.74 115.53 2wya s LYS 473 Ca 0.18 2.05 0.05 0.00 -1.36 0.00 0.00 55.97 56.89 2wya s LYS 473 Cb 0.13 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 34.01 2wya s LYS 473 CO 0.21 -1.07 0.05 0.14 -0.76 0.00 0.00 175.35 173.91 2wya s VAL 474 N -1.41 1.39 -1.17 3.17 -7.23 -1.26 -4.88 120.40 109.01 2wya s VAL 474 Ca 0.71 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 2wya s VAL 474 Cb -0.36 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 2wya s VAL 474 CO 0.42 0.00 0.77 -3.20 -0.31 0.00 0.00 175.10 172.77 2wya n ASN 475 N -0.83 -4.52 -3.57 4.85 2.85 0.28 -4.92 115.26 109.41 2wya n ASN 475 Ca -0.04 -0.95 -0.11 0.00 -0.11 0.00 0.00 54.58 53.37 2wya n ASN 475 Cb 0.67 -3.68 -0.04 0.00 1.24 0.00 0.00 39.78 37.97 2wya n ASN 475 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2wya s PHE 476 N -3.53 -0.32 -0.22 1.20 -0.12 -0.20 -4.97 117.98 109.84 2wya s PHE 476 Ca 0.37 0.05 -0.04 0.00 -0.05 0.00 0.00 56.93 57.26 2wya s PHE 476 Cb -0.12 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 2wya s PHE 476 CO 0.84 -0.74 -0.03 -1.12 -0.05 0.00 0.00 175.22 174.12 2wya s SER 477 N -2.74 4.42 0.12 1.98 0.01 -1.26 -1.11 113.70 115.12 2wya s SER 477 Ca 0.02 -0.35 -0.34 0.00 1.31 0.00 0.00 55.95 56.58 2wya s SER 477 Cb 0.01 -1.76 -0.14 0.00 0.21 0.00 0.00 66.02 64.34 2wya s SER 477 CO -0.12 -0.01 1.58 -2.65 0.41 0.00 0.00 173.24 172.46 2wya n PRO 478 N 4.71 2.02 -1.28 12.44 -0.02 -1.26 -4.94 135.00 146.67 2wya n PRO 478 Ca -0.18 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 2wya n PRO 478 Cb 0.51 -2.49 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2wya n PRO 478 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wya s PRO 479 N 1.19 2.23 0.00 0.52 0.04 -1.26 -4.87 135.00 132.84 2wya s PRO 479 Ca 0.81 1.23 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2wya s PRO 479 Cb -0.72 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2wya s PRO 479 CO 0.40 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2wya n GLY 480 N -1.02 4.26 3.65 0.56 0.00 -1.26 -4.54 105.19 106.84 2wya n GLY 480 Ca 0.09 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2wya n GLY 480 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wya s ASP 481 N 0.00 7.02 0.59 1.61 2.15 -1.26 -4.89 116.67 121.90 2wya s ASP 481 Ca 0.00 1.29 0.40 0.00 0.43 0.00 0.00 52.55 54.67 2wya s ASP 481 Cb 0.00 -2.54 2.08 0.00 -0.30 0.00 0.00 42.92 42.16 2wya s ASP 481 CO 0.00 -0.75 2.21 0.71 -0.17 0.00 0.00 175.17 177.16 2wya h THR 482 N 5.56 0.00 0.00 1.71 1.35 -1.97 0.84 112.91 120.39 2wya h THR 482 Ca -0.20 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 2wya h THR 482 Cb 1.06 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2wya h THR 482 CO 1.00 0.00 0.00 0.78 -0.25 0.00 0.00 175.52 177.05 2wya h ASN 483 N 0.00 0.00 0.27 5.36 -0.26 -2.00 -1.82 115.58 117.12 2wya h ASN 483 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2wya h ASN 483 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 2wya h ASN 483 CO 0.00 0.00 -0.08 -1.20 -1.06 0.00 0.00 177.43 175.09 2wya n SER 484 N -2.53 0.51 -4.88 5.81 7.64 0.29 -4.84 113.62 115.62 2wya n SER 484 Ca 0.00 -0.74 -0.32 0.00 1.01 0.00 0.00 58.87 58.82 2wya n SER 484 Cb 0.17 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 2wya n SER 484 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2wya s LEU 485 N -2.35 4.25 0.50 -3.43 1.43 -0.69 -4.72 118.68 113.68 2wya s LEU 485 Ca 0.33 0.79 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 2wya s LEU 485 Cb 0.20 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 2wya s LEU 485 CO 0.44 0.03 1.37 -0.36 0.23 0.00 0.00 176.35 178.06 2wya s PHE 486 N -1.66 2.39 0.29 0.29 0.08 -1.26 -4.93 117.98 113.18 2wya s PHE 486 Ca 0.42 1.34 -0.29 0.00 0.12 0.00 0.00 56.93 58.53 2wya s PHE 486 Cb -0.12 -3.82 -0.13 0.00 -0.57 0.00 0.00 43.02 38.38 2wya s PHE 486 CO 0.22 -2.81 1.16 -2.30 -0.10 0.00 0.00 175.22 171.38 2wya n PRO 487 N -0.67 1.68 -0.68 0.24 -0.02 -1.26 -1.93 135.00 132.36 2wya n PRO 487 Ca 0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2wya n PRO 487 Cb 0.44 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 2wya n PRO 487 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wya n GLY 488 N 1.23 0.81 3.70 -1.23 0.00 -0.10 -4.83 105.19 104.77 2wya n GLY 488 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2wya n GLY 488 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wya s THR 489 N -3.11 4.88 0.39 2.61 2.01 -0.81 -4.73 115.64 116.88 2wya s THR 489 Ca 0.00 1.84 -0.25 0.00 0.31 0.00 0.00 61.69 63.60 2wya s THR 489 Cb 0.00 -4.22 -0.09 0.00 0.01 0.00 0.00 72.50 68.20 2wya s THR 489 CO 0.00 0.10 1.06 0.26 -0.69 0.00 0.00 174.62 175.35 2wya s TRP 490 N 1.51 3.29 0.09 4.92 0.52 -1.26 -0.83 118.94 127.18 2wya s TRP 490 Ca 0.45 1.65 -0.07 0.00 0.02 0.00 0.00 56.10 58.15 2wya s TRP 490 Cb -0.19 -3.15 -0.01 0.00 -1.15 0.00 0.00 33.47 28.97 2wya s TRP 490 CO 0.20 -0.64 0.15 1.52 0.02 0.00 0.00 176.95 178.20 2wya s TYR 491 N -1.60 0.30 -0.36 -1.98 -0.85 0.41 -4.70 117.35 108.57 2wya s TYR 491 Ca 0.56 -0.74 -0.29 0.00 -0.52 0.00 0.00 57.07 56.08 2wya s TYR 491 Cb -0.23 -0.15 0.02 0.00 0.38 0.00 0.00 41.96 41.98 2wya s TYR 491 CO 0.29 -0.54 1.11 -1.17 -1.52 0.00 0.00 175.55 173.73 2wya s LEU 492 N -2.90 3.84 -0.07 -3.49 2.96 0.38 -1.56 118.68 117.85 2wya s LEU 492 Ca 0.08 0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 54.89 2wya s LEU 492 Cb 0.05 -3.55 -0.26 0.00 0.50 0.00 0.00 46.19 42.94 2wya s LEU 492 CO -0.08 -1.00 0.57 -0.08 -1.32 0.00 0.00 176.35 174.43 2wya h GLU 493 N 8.51 0.18 -1.73 1.98 4.81 -1.13 -3.39 114.58 123.81 2wya h GLU 493 Ca -0.22 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2wya h GLU 493 Cb 1.06 0.12 -0.24 0.00 0.63 0.00 0.00 28.75 30.32 2wya h GLU 493 CO 1.06 0.97 0.36 0.50 -0.73 0.00 0.00 179.01 181.17 2wya s ARG 494 N -2.58 0.66 -0.24 1.92 3.52 -1.08 -4.25 118.95 116.90 2wya s ARG 494 Ca -0.14 0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 55.99 2wya s ARG 494 Cb 0.07 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.76 2wya s ARG 494 CO 0.81 -0.12 0.03 0.08 -0.81 0.00 0.00 175.30 175.29 2wya s VAL 495 N -0.10 3.92 0.66 7.11 1.01 -0.27 -0.57 120.40 132.16 2wya s VAL 495 Ca 0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2wya s VAL 495 Cb -0.04 -2.84 0.14 0.00 0.00 0.00 0.00 36.38 33.64 2wya s VAL 495 CO -0.01 0.34 0.90 -0.90 0.00 0.00 0.00 175.10 175.42 2wya n ASP 496 N 4.87 0.44 0.30 3.32 5.68 -0.28 -0.55 116.55 130.33 2wya n ASP 496 Ca -0.17 -1.55 0.18 0.00 -0.50 0.00 0.00 54.79 52.75 2wya n ASP 496 Cb 0.51 -0.65 0.96 0.00 -1.14 0.00 0.00 41.12 40.79 2wya n ASP 496 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2wya h GLU 497 N 0.00 0.00 -0.63 0.11 9.09 -1.91 -0.75 114.58 120.49 2wya h GLU 497 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.12 2wya h GLU 497 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.00 2wya h GLU 497 CO 0.24 0.03 0.00 1.04 0.05 0.00 0.00 179.01 180.37 2wya n GLN 498 N -3.41 4.33 -1.37 1.06 3.00 -1.26 -4.81 117.38 114.93 2wya n GLN 498 Ca -0.02 -3.04 -0.12 0.00 -0.01 0.00 0.00 57.00 53.81 2wya n GLN 498 Cb 0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 30.24 28.25 2wya n GLN 498 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2wya n HIS 499 N 0.92 -0.01 -3.02 1.08 -0.00 -0.32 -4.98 115.22 108.88 2wya n HIS 499 Ca 0.27 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.05 2wya n HIS 499 Cb 1.05 -2.21 -0.05 0.00 -0.12 0.00 0.00 29.99 28.66 2wya n HIS 499 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2wya s ARG 500 N -3.04 4.45 -0.14 1.57 0.52 -1.26 -4.80 118.95 116.24 2wya s ARG 500 Ca 0.00 0.95 -0.14 0.00 -0.52 0.00 0.00 55.73 56.01 2wya s ARG 500 Cb 0.00 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 2wya s ARG 500 CO 0.00 0.12 0.32 1.03 0.02 0.00 0.00 175.30 176.79 2wya s ARG 501 N 0.56 4.22 -0.11 3.54 0.52 -1.26 -1.13 118.95 125.29 2wya s ARG 501 Ca 0.38 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 2wya s ARG 501 Cb -0.19 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 2wya s ARG 501 CO 0.20 0.28 -0.11 0.21 0.02 0.00 0.00 175.30 175.89 2wya s LYS 502 N 0.33 3.18 0.13 3.54 2.36 0.26 -5.01 119.74 124.53 2wya s LYS 502 Ca 0.18 -0.65 0.07 0.00 -2.55 0.00 0.00 55.97 53.02 2wya s LYS 502 Cb -0.13 -2.61 -0.04 0.00 -1.05 0.00 0.00 37.83 33.99 2wya s LYS 502 CO 0.05 0.35 -0.07 0.71 1.55 0.00 0.00 175.35 177.94 2wya s TYR 503 N 0.01 2.77 0.24 4.03 2.02 -1.26 -0.52 117.35 124.64 2wya s TYR 503 Ca -0.03 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 2wya s TYR 503 Cb -0.14 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2wya s TYR 503 CO 0.04 0.47 0.07 0.00 -1.57 0.00 0.00 175.55 174.55 2wya s ALA 504 N -1.41 1.70 -0.07 3.71 0.00 -0.60 -4.84 121.76 120.25 2wya s ALA 504 Ca 0.24 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.40 2wya s ALA 504 Cb -0.10 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.91 2wya s ALA 504 CO 0.15 -0.40 -0.13 0.50 0.00 0.00 0.00 175.76 175.88 2wya s ARG 505 N -3.99 1.80 0.16 0.00 3.52 -1.26 -0.45 118.95 118.74 2wya s ARG 505 Ca 0.34 -0.46 -0.31 0.00 -0.13 0.00 0.00 55.73 55.18 2wya s ARG 505 Cb 0.07 -1.48 -0.09 0.00 -1.56 0.00 0.00 34.95 31.90 2wya s ARG 505 CO 0.11 0.05 1.37 0.50 -0.81 0.00 0.00 175.30 176.53 2wya s ARG 506 N 0.61 4.34 0.48 5.12 3.52 -0.01 -4.93 118.95 128.08 2wya s ARG 506 Ca -0.14 2.11 -0.23 0.00 -0.13 0.00 0.00 55.73 57.33 2wya s ARG 506 Cb -0.16 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 29.94 2wya s ARG 506 CO 0.04 -0.37 1.08 -2.30 -0.81 0.00 0.00 175.30 172.94 2wya n PRO 507 N 3.28 1.38 0.00 5.12 -0.02 -1.26 -0.92 135.00 142.58 2wya n PRO 507 Ca 0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2wya n PRO 507 Cb 0.42 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2wya n PRO 507 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76