#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 4.31 0.57 -1.46 -2.45 -1.26 -4.97 119.30 114.05 2wya s MET 50 Ca 0.00 2.21 -0.21 0.00 -1.25 0.00 0.00 55.69 56.45 2wya s MET 50 Cb 0.00 -3.14 -0.04 0.00 1.25 0.00 0.00 34.83 32.90 2wya s MET 50 CO 0.00 -0.35 1.35 -1.25 1.05 0.00 0.00 175.02 175.82 2wya s PRO 51 N -0.35 2.99 0.17 4.11 0.04 -1.26 -4.98 135.00 135.72 2wya s PRO 51 Ca 0.58 2.21 -0.08 0.00 0.04 0.00 0.00 61.00 63.74 2wya s PRO 51 Cb -0.40 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2wya s PRO 51 CO 0.42 -1.30 0.46 0.15 0.04 0.00 0.00 177.00 176.78 2wya s LYS 52 N -3.02 3.73 -1.41 4.56 1.02 -1.26 -4.48 119.74 118.88 2wya s LYS 52 Ca 0.74 0.13 -0.05 0.00 0.02 0.00 0.00 55.97 56.82 2wya s LYS 52 Cb -0.40 -2.78 0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2wya s LYS 52 CO 0.46 0.41 0.71 -0.25 -0.92 0.00 0.00 175.35 175.77 2wya n ASP 53 N 0.12 -2.03 -4.74 2.83 8.00 -1.26 -0.52 116.55 118.95 2wya n ASP 53 Ca -0.02 -0.86 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 2wya n ASP 53 Cb 0.52 -3.70 -0.02 0.00 -0.02 0.00 0.00 41.12 37.90 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 -3.62 2.13 -1.74 2.53 1.01 -1.26 -0.76 120.40 118.69 2wya s VAL 54 Ca 0.22 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2wya s VAL 54 Cb -0.11 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2wya s VAL 54 CO 0.84 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.57 2wya n GLY 55 N 2.67 -0.64 3.65 4.51 0.00 -0.63 -1.72 105.19 113.03 2wya n GLY 55 Ca 0.10 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 4.87 -0.17 -0.61 1.01 -0.41 -1.60 121.20 121.29 2wya s ILE 56 Ca 0.00 1.54 0.13 0.00 0.00 0.00 0.00 60.65 62.33 2wya s ILE 56 Cb 0.00 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 38.13 2wya s ILE 56 CO 0.00 -0.02 0.15 0.18 0.00 0.00 0.00 174.94 175.26 2wya n LEU 57 N 5.62 0.72 -3.71 2.97 4.77 0.41 -3.35 117.00 124.44 2wya n LEU 57 Ca 0.04 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 2wya n LEU 57 Cb 0.48 0.16 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2wya n LEU 57 CO 0.47 0.56 0.11 0.00 -1.33 0.00 0.00 177.39 177.20 2wya s ALA 58 N -2.52 -0.97 -0.06 -1.18 0.00 -1.19 -4.67 121.76 111.17 2wya s ALA 58 Ca -0.13 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.27 2wya s ALA 58 Cb 0.07 0.11 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2wya s ALA 58 CO 0.79 -0.31 0.15 -1.17 0.00 0.00 0.00 175.76 175.22 2wya s LEU 59 N -1.42 0.99 -0.03 0.00 0.20 -1.26 -0.88 118.68 116.28 2wya s LEU 59 Ca -0.12 0.30 0.04 0.00 0.69 0.00 0.00 54.13 55.04 2wya s LEU 59 Cb -0.04 0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 46.13 2wya s LEU 59 CO 0.04 -0.11 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.13 2wya s GLU 60 N 0.77 1.57 0.02 1.98 2.56 0.14 -4.92 118.70 120.81 2wya s GLU 60 Ca -0.06 -0.58 0.09 0.00 0.00 0.00 0.00 54.97 54.42 2wya s GLU 60 Cb -0.08 -1.42 -0.02 0.00 2.00 0.00 0.00 34.13 34.61 2wya s GLU 60 CO -0.04 0.27 -0.26 0.08 -0.56 0.00 0.00 175.26 174.75 2wya s VAL 61 N -0.09 2.11 -0.03 3.70 1.01 -1.26 -1.24 120.40 124.60 2wya s VAL 61 Ca -0.00 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 60.75 2wya s VAL 61 Cb -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2wya s VAL 61 CO 0.01 0.46 -0.17 -0.47 0.00 0.00 0.00 175.10 174.93 2wya s TYR 62 N -0.72 1.64 0.04 5.22 5.04 0.32 -5.00 117.35 123.89 2wya s TYR 62 Ca 0.11 -0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 54.30 2wya s TYR 62 Cb -0.10 -1.09 -0.02 0.00 0.35 0.00 0.00 41.96 41.10 2wya s TYR 62 CO 0.01 -0.11 0.05 -0.59 -1.34 0.00 0.00 175.55 173.57 2wya s PHE 63 N -0.14 0.27 0.94 4.97 -0.12 -1.26 -1.08 117.98 121.57 2wya s PHE 63 Ca 0.00 -0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 56.14 2wya s PHE 63 Cb -0.10 -0.20 0.16 0.00 -0.63 0.00 0.00 43.02 42.25 2wya s PHE 63 CO 0.01 -0.34 1.09 -1.25 -0.05 0.00 0.00 175.22 174.68 2wya s PRO 64 N -2.72 0.88 -0.02 1.99 0.04 -1.26 -4.93 135.00 128.98 2wya s PRO 64 Ca -0.04 0.69 0.10 0.00 0.04 0.00 0.00 61.00 61.79 2wya s PRO 64 Cb -0.01 -1.78 0.32 0.00 0.04 0.00 0.00 34.50 33.08 2wya s PRO 64 CO -0.05 -2.47 1.23 0.00 0.04 0.00 0.00 177.00 175.75 2wya n ALA 65 N -4.02 2.56 -2.84 8.56 0.00 -1.26 -4.84 120.51 118.67 2wya n ALA 65 Ca 0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.75 2wya n ALA 65 Cb 0.56 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.58 0.58 0.12 0.00 0.00 -1.26 -1.08 119.66 116.43 2wya s GLN 66 Ca 0.24 -0.65 -0.05 0.00 -0.00 0.00 0.00 55.36 54.90 2wya s GLN 66 Cb 0.13 0.23 -0.02 0.00 0.00 0.00 0.00 33.01 33.35 2wya s GLN 66 CO 0.14 -0.15 0.13 1.52 0.00 0.00 0.00 175.29 176.94 2wya s TYR 67 N -2.31 0.51 -0.09 9.60 -0.85 -0.78 -3.16 117.35 120.25 2wya s TYR 67 Ca -0.07 -0.92 -0.02 0.00 -0.52 0.00 0.00 57.07 55.53 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 -0.56 -0.00 0.54 -1.52 0.00 0.00 175.55 173.98 2wya s VAL 68 N -3.96 4.27 0.09 -3.49 0.11 -0.09 -0.91 120.40 116.41 2wya s VAL 68 Ca 0.15 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 2wya s VAL 68 Cb 0.06 -2.80 -0.05 0.00 -1.53 0.00 0.00 36.38 32.05 2wya s VAL 68 CO -0.04 0.59 0.99 -0.62 -3.33 0.00 0.00 175.10 172.70 2wya s ASP 69 N -0.74 7.42 0.23 3.54 2.15 -1.26 -1.23 116.67 126.78 2wya s ASP 69 Ca 0.12 1.80 -0.03 0.00 0.43 0.00 0.00 52.55 54.87 2wya s ASP 69 Cb -0.12 -2.59 0.23 0.00 -0.30 0.00 0.00 42.92 40.15 2wya s ASP 69 CO 0.02 -0.15 1.64 1.56 -0.17 0.00 0.00 175.17 178.07 2wya h GLN 70 N 5.88 0.68 -0.54 4.34 1.08 -1.49 -0.05 115.11 125.01 2wya h GLN 70 Ca -0.43 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.48 2wya h GLN 70 Cb 1.21 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.59 2wya h GLN 70 CO 0.73 0.87 0.29 1.15 -0.95 0.00 0.00 178.83 180.93 2wya h THR 71 N 0.59 1.18 -0.69 -0.54 2.02 -1.89 0.73 112.91 114.32 2wya h THR 71 Ca 0.08 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.80 2wya h THR 71 Cb 0.75 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2wya h THR 71 CO 0.06 0.20 0.45 0.44 0.37 0.00 0.00 175.52 177.04 2wya h ASP 72 N 0.73 0.76 -0.44 4.18 3.32 -1.89 -2.66 116.42 120.41 2wya h ASP 72 Ca 0.19 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2wya h ASP 72 Cb 0.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2wya h ASP 72 CO -0.03 0.54 0.10 0.25 -1.72 0.00 0.00 179.24 178.38 2wya h LEU 73 N 0.90 0.73 -0.24 1.55 5.85 -0.48 -0.16 115.31 123.47 2wya h LEU 73 Ca 0.26 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.88 2wya h LEU 73 Cb -0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2wya h LEU 73 CO -0.07 0.74 0.01 -0.33 -0.34 0.00 0.00 178.44 178.45 2wya h GLU 74 N 0.75 0.09 -0.50 1.25 5.08 -0.59 0.32 114.58 120.98 2wya h GLU 74 Ca 0.16 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2wya h GLU 74 Cb 0.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2wya h GLU 74 CO 0.00 0.06 -0.06 0.87 -1.00 0.00 0.00 179.01 178.88 2wya h LYS 75 N 0.09 0.92 -0.74 2.33 1.57 -1.09 -1.28 116.57 118.37 2wya h LYS 75 Ca 0.11 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2wya h LYS 75 Cb 0.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2wya h LYS 75 CO -0.18 0.98 0.49 -0.92 -0.57 0.00 0.00 179.45 179.25 2wya h TYR 76 N 0.78 0.92 -0.00 -1.35 3.20 -0.85 -2.47 116.97 117.20 2wya h TYR 76 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2wya h TYR 76 Cb 0.60 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2wya h TYR 76 CO 0.04 0.57 -0.00 0.09 -1.64 0.00 0.00 178.16 177.22 2wya n ASN 77 N -4.58 0.50 -3.58 -2.11 3.02 0.08 -4.92 115.26 103.67 2wya n ASN 77 Ca 0.07 -1.14 -0.22 0.00 -0.03 0.00 0.00 54.58 53.27 2wya n ASN 77 Cb 0.03 -0.01 0.07 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.62 -3.80 -4.69 6.41 5.03 -0.59 -5.00 115.26 112.00 2wya n ASN 78 Ca 0.22 -0.64 -0.23 0.00 0.87 0.00 0.00 54.58 54.80 2wya n ASN 78 Cb 0.20 -4.82 -0.07 0.00 -1.02 0.00 0.00 39.78 34.07 2wya n ASN 78 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wya s VAL 79 N -3.38 3.20 0.37 2.41 0.11 -0.59 -5.04 120.40 117.47 2wya s VAL 79 Ca 0.29 -1.81 -0.28 0.00 -2.93 0.00 0.00 61.98 57.24 2wya s VAL 79 Cb -0.13 -2.92 -0.11 0.00 -1.53 0.00 0.00 36.38 31.69 2wya s VAL 79 CO 0.75 -0.27 1.51 -1.83 -3.33 0.00 0.00 175.10 171.93 2wya s GLU 80 N -3.76 4.10 0.21 1.54 1.03 -1.26 -4.63 118.70 115.93 2wya s GLU 80 Ca 0.35 2.59 -0.32 0.00 0.03 0.00 0.00 54.97 57.61 2wya s GLU 80 Cb -0.04 -2.97 -0.13 0.00 -0.80 0.00 0.00 34.13 30.19 2wya s GLU 80 CO 0.21 -0.56 1.50 0.00 -1.33 0.00 0.00 175.26 175.08 2wya n ALA 81 N 0.64 1.37 -0.03 -0.84 0.00 -1.26 -1.90 120.51 118.49 2wya n ALA 81 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wya n ALA 81 Cb 0.39 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 2.71 1.27 0.31 0.00 0.00 -1.26 -4.94 105.19 103.28 2wya n GLY 82 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 3.20 0.81 0.07 1.61 3.64 -1.75 0.28 116.57 124.43 2wya h LYS 83 Ca 0.00 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.03 2wya h LYS 83 Cb 0.00 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2wya h LYS 83 CO 0.00 0.54 -1.61 1.88 -2.27 0.00 0.00 179.45 177.99 2wya h TYR 84 N 0.84 0.28 0.00 1.91 0.05 -1.90 -2.32 116.97 115.83 2wya h TYR 84 Ca 0.40 -0.21 -0.14 0.00 0.05 0.00 0.00 58.73 58.83 2wya h TYR 84 Cb 0.33 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2wya h TYR 84 CO -0.05 1.63 -0.67 1.79 -1.05 0.00 0.00 178.16 179.81 2wya h THR 85 N -0.42 1.46 0.00 -2.88 1.35 -1.60 -0.95 112.91 109.86 2wya h THR 85 Ca -0.38 -2.31 -0.33 0.00 -0.55 0.00 0.00 66.41 62.84 2wya h THR 85 Cb 1.70 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 70.32 2wya h THR 85 CO -0.04 0.66 -2.11 0.52 -0.25 0.00 0.00 175.52 174.30 2wya n VAL 86 N -3.71 1.09 -0.02 6.82 0.31 0.80 -3.50 118.33 120.13 2wya n VAL 86 Ca -0.01 -0.28 -0.10 0.00 -0.01 0.00 0.00 64.34 63.94 2wya n VAL 86 Cb 0.67 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.71 0.18 0.60 2.92 0.00 -0.54 -3.05 103.07 102.46 2wya h GLY 87 Ca -0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2wya h GLY 87 CO -0.31 0.04 -1.45 1.04 0.00 0.00 0.00 176.54 175.86 2wya n LEU 88 N -5.04 0.51 -0.13 3.11 4.77 -0.93 -4.72 117.00 114.57 2wya n LEU 88 Ca -0.04 0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2wya n LEU 88 Cb 0.05 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wya n LEU 88 CO 0.32 -0.07 -0.02 0.61 -1.33 0.00 0.00 177.39 176.91 2wya n GLY 89 N 1.25 0.37 3.65 -0.72 0.00 -0.60 -1.32 105.19 107.82 2wya n GLY 89 Ca -0.04 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.48 2.80 -0.12 1.61 -1.52 -0.47 -4.43 119.66 114.06 2wya s GLN 90 Ca 0.00 -0.56 -0.06 0.00 -1.95 0.00 0.00 55.36 52.79 2wya s GLN 90 Cb 0.00 -2.67 -0.05 0.00 -0.22 0.00 0.00 33.01 30.07 2wya s GLN 90 CO 0.00 0.65 -0.15 2.41 -0.25 0.00 0.00 175.29 177.95 2wya n THR 91 N 1.75 0.63 -3.92 -0.19 -1.04 0.23 -3.61 114.28 108.13 2wya n THR 91 Ca -0.16 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.58 2wya n THR 91 Cb 0.53 -1.65 -0.11 0.00 -1.82 0.00 0.00 70.33 67.28 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 -2.21 0.32 -0.18 -2.82 0.52 -0.49 -1.28 118.95 112.81 2wya s ARG 92 Ca -0.16 -0.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2wya s ARG 92 Cb 0.06 0.12 0.02 0.00 0.52 0.00 0.00 34.95 35.68 2wya s ARG 92 CO 0.20 -0.06 -0.18 1.41 0.02 0.00 0.00 175.30 176.69 2wya s MET 93 N -1.14 2.82 0.50 3.54 -2.45 -0.36 -2.29 119.30 119.92 2wya s MET 93 Ca -0.12 -0.79 -0.20 0.00 -1.25 0.00 0.00 55.69 53.33 2wya s MET 93 Cb -0.07 -2.48 -0.08 0.00 1.25 0.00 0.00 34.83 33.45 2wya s MET 93 CO 0.00 -0.23 1.04 0.20 1.05 0.00 0.00 175.02 177.08 2wya s GLY 94 N 1.33 2.44 0.13 2.11 0.00 0.23 -0.92 107.32 112.64 2wya s GLY 94 Ca 0.05 0.56 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 2wya s GLY 94 CO -0.12 0.88 0.44 -0.11 0.00 0.00 0.00 173.10 174.18 2wya s PHE 95 N -2.07 -0.26 -0.00 1.90 -0.12 -1.19 -3.79 117.98 112.45 2wya s PHE 95 Ca 0.66 -0.04 0.08 0.00 -0.05 0.00 0.00 56.93 57.59 2wya s PHE 95 Cb -0.16 0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2wya s PHE 95 CO 0.22 -0.73 -0.25 0.00 -0.05 0.00 0.00 175.22 174.41 2wya s SER 97 N -0.83 2.52 0.00 0.00 1.04 -1.26 -4.92 113.70 110.24 2wya s SER 97 Ca 0.11 0.27 0.09 0.00 0.48 0.00 0.00 55.95 56.90 2wya s SER 97 Cb -0.10 -0.29 0.41 0.00 0.10 0.00 0.00 66.02 66.14 2wya s SER 97 CO 0.00 -3.11 1.27 1.33 0.98 0.00 0.00 173.24 173.72 2wya n VAL 98 N -4.02 1.23 0.34 5.02 0.24 -1.26 -2.13 118.33 117.75 2wya n VAL 98 Ca 0.16 0.31 0.14 0.00 -2.04 0.00 0.00 64.34 62.91 2wya n VAL 98 Cb 0.59 -1.15 0.61 0.00 -1.47 0.00 0.00 33.84 32.42 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 -6.58 7.34 4.15 -1.88 -3.43 115.11 114.70 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 0.14 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 27.56 2wya h GLN 99 CO 0.00 0.00 -0.88 -1.21 -1.93 0.00 0.00 178.83 174.81 2wya s GLU 100 N -3.50 1.78 0.30 1.69 2.02 -0.91 -0.32 118.70 119.75 2wya s GLU 100 Ca 0.02 -1.04 0.06 0.00 0.02 0.00 0.00 54.97 54.04 2wya s GLU 100 Cb 0.09 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.40 2wya s GLU 100 CO 0.44 0.50 0.27 -0.40 0.02 0.00 0.00 175.26 176.09 2wya n ASP 101 N 1.93 -0.70 -0.27 -0.19 5.68 -1.26 -4.80 116.55 116.95 2wya n ASP 101 Ca -0.17 -2.92 0.02 0.00 -0.50 0.00 0.00 54.79 51.22 2wya n ASP 101 Cb 0.52 1.58 0.23 0.00 -1.14 0.00 0.00 41.12 42.31 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 1.95 1.15 -0.34 2.12 6.09 -1.98 -0.54 117.51 125.97 2wya h ILE 102 Ca -0.21 -0.36 -0.01 0.00 -1.37 0.00 0.00 64.86 62.90 2wya h ILE 102 Cb 1.07 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.34 2wya h ILE 102 CO 0.31 0.19 0.15 0.78 -3.07 0.00 0.00 178.15 176.51 2wya h ASN 103 N 1.05 0.44 -0.03 2.19 2.35 -1.96 -2.09 115.58 117.54 2wya h ASN 103 Ca 0.33 -0.14 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 2wya h ASN 103 Cb 0.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2wya h ASN 103 CO -0.09 0.46 -0.41 0.77 -1.65 0.00 0.00 177.43 176.50 2wya h SER 104 N 0.40 0.58 -0.33 5.81 4.64 -1.71 0.82 113.55 123.76 2wya h SER 104 Ca 0.11 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wya h SER 104 Cb 0.14 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2wya h SER 104 CO -0.01 0.92 0.22 -0.07 -0.87 0.00 0.00 176.83 177.02 2wya h LEU 105 N 0.45 0.39 -0.28 5.97 4.07 -1.04 -1.10 115.31 123.77 2wya h LEU 105 Ca 0.04 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.79 2wya h LEU 105 Cb 0.91 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2wya h LEU 105 CO 0.08 0.29 -0.59 0.00 -1.08 0.00 0.00 178.44 177.14 2wya h LEU 107 N 0.65 0.58 0.05 0.00 3.38 -0.77 -1.67 115.31 117.53 2wya h LEU 107 Ca 0.00 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wya h LEU 107 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2wya h LEU 107 CO 0.13 0.38 -0.03 0.74 0.09 0.00 0.00 178.44 179.75 2wya h THR 108 N 0.71 0.99 -0.18 0.22 2.02 -0.96 -1.10 112.91 114.62 2wya h THR 108 Ca 0.30 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 67.18 2wya h THR 108 Cb 0.16 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2wya h THR 108 CO -0.17 0.04 -0.53 1.62 0.37 0.00 0.00 175.52 176.85 2wya h VAL 109 N -0.13 1.32 -0.12 3.16 3.04 -1.27 -1.51 116.25 120.74 2wya h VAL 109 Ca -0.01 -1.77 -0.04 0.00 -1.01 0.00 0.00 66.70 63.88 2wya h VAL 109 Cb 0.11 1.76 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2wya h VAL 109 CO 0.01 0.55 -0.07 0.58 -1.01 0.00 0.00 177.57 177.63 2wya h VAL 110 N 0.40 1.32 -0.51 1.51 2.07 -1.25 -1.83 116.25 117.96 2wya h VAL 110 Ca 0.01 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 2wya h VAL 110 Cb 1.06 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2wya h VAL 110 CO 0.10 0.32 -0.03 -0.61 0.02 0.00 0.00 177.57 177.37 2wya h GLN 111 N -0.09 0.88 -0.42 1.57 4.15 -1.18 -1.27 115.11 118.77 2wya h GLN 111 Ca 0.03 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 2wya h GLN 111 Cb 0.53 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2wya h GLN 111 CO 0.02 0.89 0.25 -0.09 -1.93 0.00 0.00 178.83 177.97 2wya h ARG 112 N 0.81 0.56 0.00 1.69 2.43 -1.26 -0.31 114.38 118.31 2wya h ARG 112 Ca 0.15 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2wya h ARG 112 Cb 0.52 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2wya h ARG 112 CO 0.03 0.42 -0.06 1.25 -1.51 0.00 0.00 179.97 180.09 2wya h LEU 113 N 0.55 -0.18 -0.74 3.80 5.85 -1.03 -1.28 115.31 122.27 2wya h LEU 113 Ca 0.15 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2wya h LEU 113 Cb -0.00 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2wya h LEU 113 CO -0.03 -0.10 0.47 0.24 -0.34 0.00 0.00 178.44 178.69 2wya h MET 114 N -0.11 0.89 -0.41 1.25 2.86 -0.97 -2.31 114.93 116.11 2wya h MET 114 Ca 0.03 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 2wya h MET 114 Cb 0.14 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2wya h MET 114 CO -0.06 0.59 -0.30 0.93 1.06 0.00 0.00 176.91 179.12 2wya h GLU 115 N 0.91 0.93 -0.49 1.72 5.08 -0.92 0.70 114.58 122.52 2wya h GLU 115 Ca 0.30 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2wya h GLU 115 Cb 0.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2wya h GLU 115 CO -0.11 1.11 0.17 -0.09 -1.00 0.00 0.00 179.01 179.08 2wya h ARG 116 N 0.76 0.75 -0.46 2.33 2.43 -0.89 -2.93 114.38 116.38 2wya h ARG 116 Ca 0.08 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wya h ARG 116 Cb 0.88 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2wya h ARG 116 CO 0.08 0.69 0.00 0.44 -1.51 0.00 0.00 179.97 179.67 2wya n ILE 117 N -4.53 0.60 -3.81 1.20 -5.35 -0.90 -4.96 119.36 101.60 2wya n ILE 117 Ca 0.01 -0.78 -0.23 0.00 -0.27 0.00 0.00 62.75 61.48 2wya n ILE 117 Cb 0.18 0.84 0.01 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.47 -4.03 -2.46 6.28 6.02 0.09 -4.90 117.38 119.86 2wya n GLN 118 Ca 0.20 0.52 -0.42 0.00 -0.01 0.00 0.00 57.00 57.29 2wya n GLN 118 Cb 0.60 -4.85 -0.03 0.00 1.02 0.00 0.00 30.24 26.98 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 -6.79 4.25 0.37 1.08 2.96 -0.34 -5.00 118.68 115.21 2wya s LEU 119 Ca 0.02 1.78 -0.28 0.00 -0.22 0.00 0.00 54.13 55.43 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 0.85 -0.63 1.34 -2.84 -1.32 0.00 0.00 176.35 173.75 2wya s PRO 120 N 2.53 4.17 0.44 0.98 0.02 -1.26 -4.90 135.00 136.97 2wya s PRO 120 Ca 0.55 2.26 0.14 0.00 0.02 0.00 0.00 61.00 63.98 2wya s PRO 120 Cb -0.24 -2.94 1.04 0.00 0.02 0.00 0.00 34.50 32.38 2wya s PRO 120 CO 0.20 -0.36 1.98 -1.49 -0.33 0.00 0.00 177.00 177.00 2wya h TRP 121 N 3.05 0.42 -0.04 6.54 6.55 -1.96 -1.87 115.95 128.65 2wya h TRP 121 Ca -0.50 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.36 2wya h TRP 121 Cb 1.24 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 2wya h TRP 121 CO 0.54 0.20 0.00 -0.40 -1.05 0.00 0.00 178.44 177.73 2wya n ASP 122 N -4.47 0.40 -0.55 -3.49 5.68 -1.26 -3.70 116.55 109.17 2wya n ASP 122 Ca 0.10 -1.49 0.12 0.00 -0.50 0.00 0.00 54.79 53.02 2wya n ASP 122 Cb 0.37 -0.02 0.21 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.52 1.93 -4.38 -1.12 3.41 -0.70 -4.85 113.62 107.39 2wya n SER 123 Ca 0.15 -1.48 -0.37 0.00 -0.26 0.00 0.00 58.87 56.91 2wya n SER 123 Cb 0.13 0.19 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.28 4.01 -0.55 -3.33 1.01 -1.24 -0.48 120.40 117.54 2wya s VAL 124 Ca 0.26 -0.46 0.17 0.00 0.00 0.00 0.00 61.98 61.95 2wya s VAL 124 Cb 0.19 -2.96 -0.21 0.00 0.00 0.00 0.00 36.38 33.41 2wya s VAL 124 CO 0.45 0.23 0.60 0.61 0.00 0.00 0.00 175.10 177.00 2wya n GLY 125 N 4.88 -0.64 3.09 4.51 0.00 0.13 -4.78 105.19 112.39 2wya n GLY 125 Ca -0.16 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.77 0.25 -0.15 1.61 3.52 -1.19 -1.57 118.95 118.65 2wya s ARG 126 Ca 0.02 0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 2wya s ARG 126 Cb 0.12 0.08 0.07 0.00 -1.56 0.00 0.00 34.95 33.66 2wya s ARG 126 CO 0.69 -0.05 0.31 -1.17 -0.81 0.00 0.00 175.30 174.27 2wya s LEU 127 N 0.32 -0.24 -0.10 -0.88 2.96 -0.21 -0.16 118.68 120.37 2wya s LEU 127 Ca -0.02 0.71 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 2wya s LEU 127 Cb -0.03 0.93 0.03 0.00 0.50 0.00 0.00 46.19 47.62 2wya s LEU 127 CO -0.01 -0.22 0.27 -0.70 -1.32 0.00 0.00 176.35 174.37 2wya s GLU 128 N 2.16 0.31 -0.18 1.98 2.12 -0.98 -3.99 118.70 120.12 2wya s GLU 128 Ca -0.02 0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.67 2wya s GLU 128 Cb -0.11 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 2wya s GLU 128 CO -0.10 -0.05 -0.03 0.08 -0.54 0.00 0.00 175.26 174.62 2wya s VAL 129 N 0.28 3.79 -0.17 3.70 1.01 -0.40 -1.47 120.40 127.14 2wya s VAL 129 Ca -0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2wya s VAL 129 Cb -0.03 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2wya s VAL 129 CO -0.01 0.46 0.09 -0.83 0.00 0.00 0.00 175.10 174.81 2wya s GLY 130 N 0.72 1.97 0.09 4.51 0.00 0.61 -0.59 107.32 114.63 2wya s GLY 130 Ca -0.02 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.73 2wya s GLY 130 CO 0.02 -0.00 0.85 -1.08 0.00 0.00 0.00 173.10 172.88 2wya s THR 131 N 0.13 0.00 -0.05 0.90 -1.32 -1.20 -2.67 115.64 111.44 2wya s THR 131 Ca 0.06 -0.28 0.07 0.00 -1.21 0.00 0.00 61.69 60.34 2wya s THR 131 Cb -0.12 -1.38 0.10 0.00 -1.51 0.00 0.00 72.50 69.60 2wya s THR 131 CO -0.00 0.00 0.97 -1.84 -2.21 0.00 0.00 174.62 171.54 2wya n GLU 132 N -0.35 1.17 -3.37 7.08 0.28 -1.26 -4.45 120.64 119.74 2wya n GLU 132 Ca -0.09 -1.61 -0.45 0.00 -0.16 0.00 0.00 57.16 54.85 2wya n GLU 132 Cb 0.62 -0.98 -0.06 0.00 1.43 0.00 0.00 31.44 32.45 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 -1.28 5.00 -0.27 3.84 2.01 -1.26 -4.99 115.64 118.68 2wya s THR 133 Ca 0.12 -1.53 -0.08 0.00 0.31 0.00 0.00 61.69 60.50 2wya s THR 133 Cb 0.10 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2wya s THR 133 CO 0.01 -0.83 0.11 -0.63 -0.69 0.00 0.00 174.62 172.59 2wya s ILE 134 N 1.55 4.50 -0.38 1.82 -1.09 -1.26 -4.86 121.20 121.47 2wya s ILE 134 Ca 0.04 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 2wya s ILE 134 Cb -0.29 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2wya s ILE 134 CO 0.02 0.24 0.55 2.30 -1.23 0.00 0.00 174.94 176.82 2wya n ILE 135 N 4.95 0.00 -3.73 2.92 -5.35 -1.26 -4.95 119.36 111.94 2wya n ILE 135 Ca -0.15 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 61.72 2wya n ILE 135 Cb 0.51 1.06 -0.12 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.41 -0.34 0.07 7.28 2.15 -1.26 -5.05 116.67 119.12 2wya s ASP 136 Ca 0.04 0.63 0.28 0.00 0.43 0.00 0.00 52.55 53.92 2wya s ASP 136 Cb 0.03 0.55 1.01 0.00 -0.30 0.00 0.00 42.92 44.21 2wya s ASP 136 CO 0.05 -0.16 1.82 0.29 -0.17 0.00 0.00 175.17 177.01 2wya n LYS 137 N 3.91 0.10 0.00 4.34 5.02 -1.26 -4.24 118.16 126.03 2wya n LYS 137 Ca -0.22 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2wya n LYS 137 Cb 0.55 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.78 3.70 -4.60 4.39 3.41 -1.26 -5.02 113.62 112.46 2wya n SER 138 Ca 0.06 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 2wya n SER 138 Cb 0.37 0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.83 3.90 0.44 4.33 2.20 -1.26 -5.03 119.74 122.49 2wya s LYS 139 Ca 0.00 0.40 -0.23 0.00 -0.36 0.00 0.00 55.97 55.78 2wya s LYS 139 Cb 0.00 -3.74 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 2wya s LYS 139 CO 0.00 -0.65 1.06 0.00 -0.36 0.00 0.00 175.35 175.39 2wya s ALA 140 N 2.80 3.00 0.35 3.13 0.00 -1.26 -4.67 121.76 125.10 2wya s ALA 140 Ca 0.29 0.69 0.08 0.00 0.00 0.00 0.00 51.96 53.01 2wya s ALA 140 Cb -0.14 -3.28 0.77 0.00 0.00 0.00 0.00 23.12 20.47 2wya s ALA 140 CO 0.13 -0.29 1.87 0.28 0.00 0.00 0.00 175.76 177.75 2wya h VAL 141 N 1.93 0.87 -0.93 0.00 2.07 -1.95 -1.12 116.25 117.11 2wya h VAL 141 Ca -0.49 -0.25 0.21 0.00 0.82 0.00 0.00 66.70 66.99 2wya h VAL 141 Cb 1.22 0.06 -0.12 0.00 -1.52 0.00 0.00 31.29 30.93 2wya h VAL 141 CO 0.61 0.14 0.48 0.50 0.02 0.00 0.00 177.57 179.32 2wya h LYS 142 N 0.74 0.51 -0.44 1.57 1.63 -1.92 -0.36 116.57 118.29 2wya h LYS 142 Ca 0.44 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 2wya h LYS 142 Cb 0.64 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 2wya h LYS 142 CO -0.20 0.34 -0.01 1.79 -3.45 0.00 0.00 179.45 177.92 2wya h THR 143 N 0.52 1.23 -0.39 1.00 1.35 -1.58 -2.40 112.91 112.65 2wya h THR 143 Ca 0.57 -0.96 -0.13 0.00 -0.55 0.00 0.00 66.41 65.34 2wya h THR 143 Cb 1.04 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 2wya h THR 143 CO -0.47 0.34 -0.28 0.58 -0.25 0.00 0.00 175.52 175.44 2wya h VAL 144 N 0.68 1.27 0.00 6.82 2.07 -1.14 -2.56 116.25 123.40 2wya h VAL 144 Ca 0.14 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2wya h VAL 144 Cb 0.43 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2wya h VAL 144 CO 0.02 0.48 -0.01 -0.07 0.02 0.00 0.00 177.57 178.00 2wya h LEU 145 N 0.71 0.00 -2.27 2.57 3.38 -0.67 -1.54 115.31 117.49 2wya h LEU 145 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wya h LEU 145 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2wya h LEU 145 CO 0.07 0.01 0.00 0.24 0.09 0.00 0.00 178.44 178.85 2wya h MET 146 N 0.00 0.00 -1.08 1.13 2.86 -1.00 -0.43 114.93 116.41 2wya h MET 146 Ca -0.00 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 57.95 2wya h MET 146 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2wya h MET 146 CO 0.00 0.00 0.77 0.93 1.06 0.00 0.00 176.91 179.67 2wya h GLU 147 N 0.00 0.04 0.00 1.72 4.39 -1.43 0.24 114.58 119.54 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 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2wya h GLU 147 CO 0.00 0.03 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.62 2wya h LEU 148 N 0.05 0.00 0.00 1.33 3.38 -1.29 -3.40 115.31 115.38 2wya h LEU 148 Ca 0.52 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.41 2wya h LEU 148 Cb 2.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 2wya h LEU 148 CO -0.04 0.02 -1.15 0.49 0.09 0.00 0.00 178.44 177.85 2wya n PHE 149 N -2.46 0.00 0.03 1.13 3.72 0.13 -4.85 117.46 115.15 2wya n PHE 149 Ca 0.04 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 2wya n PHE 149 Cb 0.46 -0.11 0.14 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.45 0.00 -1.08 3.07 -0.85 -2.68 115.11 114.01 2wya h GLN 150 Ca -0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 58.65 58.40 2wya h GLN 150 Cb 1.13 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.69 2wya h GLN 150 CO 0.00 0.79 -0.21 -0.44 0.09 0.00 0.00 178.83 179.06 2wya h ASP 151 N 0.37 0.00 0.75 0.06 3.32 -1.83 -1.06 116.42 118.03 2wya h ASP 151 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wya h ASP 151 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2wya h ASP 151 CO 0.08 0.21 0.00 -1.54 -1.72 0.00 0.00 179.24 176.27 2wya n SER 152 N -3.94 0.00 0.00 6.45 3.41 -1.02 -4.91 113.62 113.61 2wya n SER 152 Ca -0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2wya n SER 152 Cb 0.30 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 1.08 0.77 3.29 5.00 0.00 -0.40 -5.02 105.19 109.91 2wya n GLY 153 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2wya n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wya s ASN 154 N -2.26 6.38 0.00 1.61 2.47 -1.20 -4.80 114.94 117.13 2wya s ASN 154 Ca 0.00 -2.43 0.03 0.00 0.42 0.00 0.00 52.86 50.88 2wya s ASN 154 Cb 0.00 -2.16 0.04 0.00 -1.45 0.00 0.00 41.25 37.68 2wya s ASN 154 CO 0.00 -0.63 0.67 0.35 -3.72 0.00 0.00 177.10 173.77 2wya n THR 155 N 4.30 0.13 -2.31 -5.21 -2.24 -1.26 -4.40 114.28 103.28 2wya n THR 155 Ca 0.05 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.84 2wya n THR 155 Cb 0.44 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.14 4.91 -3.88 3.42 2.03 -1.26 -4.89 116.55 117.03 2wya n ASP 156 Ca 0.02 -3.05 -0.30 0.00 0.52 0.00 0.00 54.79 51.98 2wya n ASP 156 Cb 0.11 -1.52 -0.16 0.00 -0.72 0.00 0.00 41.12 38.84 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 1.00 1.26 0.80 5.18 1.01 -1.26 -4.79 121.20 124.40 2wya s ILE 157 Ca 0.41 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 2wya s ILE 157 Cb 0.09 -1.64 0.08 0.00 0.01 0.00 0.00 42.46 41.00 2wya s ILE 157 CO -0.01 -0.20 1.10 -0.70 0.00 0.00 0.00 174.94 175.13 2wya s GLU 158 N 1.50 1.99 0.00 2.79 2.12 -0.61 -4.71 118.70 121.79 2wya s GLU 158 Ca -0.03 1.20 0.00 0.00 0.36 0.00 0.00 54.97 56.51 2wya s GLU 158 Cb -0.18 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.34 2wya s GLU 158 CO -0.08 -1.84 0.00 0.41 -0.54 0.00 0.00 175.26 173.20 2wya n GLY 159 N -0.98 2.56 0.00 -1.50 0.00 -1.26 -1.04 105.19 102.98 2wya n GLY 159 Ca 0.09 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 1.06 0.00 -4.27 -0.61 -5.35 -1.26 -4.82 119.36 104.12 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 4.55 -0.05 7.28 1.11 -1.26 -1.27 116.67 128.02 2wya s ASP 161 Ca 0.00 -0.55 -0.03 0.00 0.18 0.00 0.00 52.55 52.15 2wya s ASP 161 Cb 0.00 -0.87 0.03 0.00 1.07 0.00 0.00 42.92 43.15 2wya s ASP 161 CO 0.00 0.05 0.13 0.28 1.18 0.00 0.00 175.17 176.81 2wya s THR 162 N -2.00 -0.03 -0.04 -1.27 -1.32 0.24 -4.91 115.64 106.31 2wya s THR 162 Ca 0.29 0.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2wya s THR 162 Cb -0.08 -0.21 0.03 0.00 -1.51 0.00 0.00 72.50 70.73 2wya s THR 162 CO 0.18 0.05 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.74 2wya s THR 163 N 0.80 0.32 -0.29 5.08 2.01 -1.26 -3.22 115.64 119.08 2wya s THR 163 Ca -0.06 0.02 0.03 0.00 0.31 0.00 0.00 61.69 61.99 2wya s THR 163 Cb -0.08 -0.40 0.18 0.00 0.01 0.00 0.00 72.50 72.21 2wya s THR 163 CO -0.04 0.18 0.52 0.21 -0.69 0.00 0.00 174.62 174.81 2wya s ASN 164 N 1.09 -0.82 0.51 3.53 2.47 -1.26 -4.95 114.94 115.51 2wya s ASN 164 Ca -0.09 0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.30 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 -0.31 0.00 0.00 -3.72 0.00 0.00 177.10 173.05 2wya n ALA 165 N 5.40 0.00 1.55 1.71 0.00 -1.26 -0.96 120.51 126.94 2wya n ALA 165 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2wya n ALA 165 Cb 0.52 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.14 0.16 -0.12 0.00 9.36 -0.13 -4.14 117.16 122.14 2wya n TYR 167 Ca 0.04 0.05 0.10 0.00 3.32 0.00 0.00 57.90 61.41 2wya n TYR 167 Cb 0.12 -0.37 0.45 0.00 -0.63 0.00 0.00 39.34 38.91 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 4.48 0.72 0.94 2.98 0.00 -1.68 -1.51 103.07 109.01 2wya h GLY 168 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2wya h GLY 168 CO 0.00 0.13 0.15 -1.33 0.00 0.00 0.00 176.54 175.50 2wya h GLY 169 N 0.52 0.54 1.02 4.60 0.00 -1.78 -0.70 103.07 107.26 2wya h GLY 169 Ca 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2wya h GLY 169 CO -0.09 0.26 0.44 -0.84 0.00 0.00 0.00 176.54 176.31 2wya h THR 170 N 0.41 1.24 -0.73 4.70 2.02 -1.63 0.22 112.91 119.14 2wya h THR 170 Ca 0.12 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.73 2wya h THR 170 Cb 0.14 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 2wya h THR 170 CO -0.01 0.27 0.45 0.00 0.37 0.00 0.00 175.52 176.60 2wya h ALA 171 N 1.24 0.95 -0.60 6.16 0.00 -0.98 0.78 119.26 126.80 2wya h ALA 171 Ca 0.29 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 2wya h ALA 171 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2wya h ALA 171 CO -0.05 0.23 0.00 1.03 0.00 0.00 0.00 179.25 180.47 2wya h SER 172 N 0.88 1.04 -0.17 0.00 0.87 -0.65 0.02 113.55 115.53 2wya h SER 172 Ca 0.29 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2wya h SER 172 Cb 0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2wya h SER 172 CO -0.12 1.09 0.10 0.25 -0.53 0.00 0.00 176.83 177.63 2wya h LEU 173 N 0.95 0.21 -0.67 2.23 5.85 -0.28 -0.27 115.31 123.33 2wya h LEU 173 Ca 0.17 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2wya h LEU 173 Cb 0.55 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2wya h LEU 173 CO 0.03 0.20 0.43 -0.26 -0.34 0.00 0.00 178.44 178.50 2wya h PHE 174 N 0.20 0.86 -0.63 1.25 0.04 -0.69 -1.61 116.94 116.37 2wya h PHE 174 Ca 0.06 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2wya h PHE 174 Cb 0.03 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 2wya h PHE 174 CO -0.05 0.56 0.32 -0.91 -0.60 0.00 0.00 178.31 177.63 2wya h ASN 175 N 0.92 0.79 -0.21 2.17 2.35 -0.73 0.50 115.58 121.36 2wya h ASN 175 Ca 0.25 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 2wya h ASN 175 Cb -0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2wya h ASN 175 CO -0.05 0.65 -0.05 0.00 -1.65 0.00 0.00 177.43 176.33 2wya h ALA 176 N 1.47 0.28 -0.61 -0.83 0.00 -0.53 -0.64 119.26 118.40 2wya h ALA 176 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2wya h ALA 176 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wya h ALA 176 CO -0.03 0.07 0.26 0.00 0.00 0.00 0.00 179.25 179.55 2wya h ALA 177 N 0.74 0.79 -0.20 0.00 0.00 -1.05 -1.17 119.26 118.36 2wya h ALA 177 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wya h ALA 177 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wya h ALA 177 CO 0.02 0.39 0.05 -0.91 0.00 0.00 0.00 179.25 178.80 2wya h ASN 178 N 0.85 0.04 -0.36 0.00 2.35 -0.78 -2.03 115.58 115.64 2wya h ASN 178 Ca 0.21 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2wya h ASN 178 Cb 0.17 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2wya h ASN 178 CO -0.02 0.05 0.14 -0.25 -1.65 0.00 0.00 177.43 175.70 2wya h TRP 179 N 0.14 0.26 0.00 1.19 7.01 -0.96 -2.49 115.95 121.10 2wya h TRP 179 Ca 0.09 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2wya h TRP 179 Cb 0.08 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 2wya h TRP 179 CO -0.13 0.12 -0.17 1.98 -2.79 0.00 0.00 178.44 177.45 2wya h MET 180 N 0.31 0.00 -0.02 2.65 4.05 -0.90 -1.99 114.93 119.03 2wya h MET 180 Ca 0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2wya h MET 180 Cb 0.12 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2wya h MET 180 CO -0.15 0.17 -0.04 0.39 0.23 0.00 0.00 176.91 177.51 2wya n GLU 181 N -4.03 1.74 -2.91 0.39 1.02 -0.79 -4.67 120.64 111.39 2wya n GLU 181 Ca -0.02 -1.17 -0.20 0.00 -0.02 0.00 0.00 57.16 55.75 2wya n GLU 181 Cb 0.25 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.06 4.96 0.13 1.62 1.04 -0.75 -4.90 113.70 113.73 2wya s SER 182 Ca 0.34 -0.66 0.19 0.00 0.48 0.00 0.00 55.95 56.29 2wya s SER 182 Cb 0.20 0.10 0.80 0.00 0.10 0.00 0.00 66.02 67.22 2wya s SER 182 CO 0.35 -1.42 1.58 -1.54 0.98 0.00 0.00 173.24 173.19 2wya n SER 183 N -2.36 0.33 0.01 7.02 3.41 -1.26 -2.59 113.62 118.17 2wya n SER 183 Ca 0.15 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 2wya n SER 183 Cb 0.61 -0.65 0.29 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.86 0.45 -4.75 4.04 7.64 -1.26 -4.89 113.62 112.99 2wya n SER 184 Ca 0.03 -0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 2wya n SER 184 Cb 0.20 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 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 -3.02 2.75 -0.16 1.43 -0.00 -1.07 -4.90 118.94 113.98 2wya s TRP 185 Ca 0.11 0.69 0.18 0.00 -0.00 0.00 0.00 56.10 57.07 2wya s TRP 185 Cb 0.17 -4.10 0.43 0.00 -0.00 0.00 0.00 33.47 29.97 2wya s TRP 185 CO 0.68 -3.79 1.31 -0.40 -0.00 0.00 0.00 176.95 174.74 2wya n ASP 186 N 2.47 3.22 0.00 5.86 5.68 -1.26 -4.96 116.55 127.56 2wya n ASP 186 Ca 0.10 -3.06 0.00 0.00 -0.50 0.00 0.00 54.79 51.32 2wya n ASP 186 Cb 0.37 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 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 -0.91 1.16 3.96 6.12 0.00 -1.26 -5.05 105.19 109.21 2wya n GLY 187 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.59 2.71 0.69 1.61 0.52 -1.26 -5.07 118.95 117.56 2wya s ARG 188 Ca 0.00 -0.65 -0.13 0.00 -0.52 0.00 0.00 55.73 54.43 2wya s ARG 188 Cb 0.00 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 32.99 2wya s ARG 188 CO 0.00 -0.59 1.09 0.71 0.02 0.00 0.00 175.30 176.53 2wya s TYR 189 N -2.72 2.76 0.05 -0.53 2.02 0.37 -4.63 117.35 114.66 2wya s TYR 189 Ca 0.54 1.52 0.02 0.00 -0.37 0.00 0.00 57.07 58.79 2wya s TYR 189 Cb -0.10 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 2wya s TYR 189 CO 0.39 -1.54 0.06 0.00 -1.57 0.00 0.00 175.55 172.88 2wya s ALA 190 N -2.66 3.49 -0.18 3.71 0.00 -0.63 -0.69 121.76 124.80 2wya s ALA 190 Ca 0.63 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2wya s ALA 190 Cb -0.17 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.54 2wya s ALA 190 CO 0.48 0.71 -0.18 1.41 0.00 0.00 0.00 175.76 178.18 2wya s MET 191 N -2.10 3.04 -0.22 0.00 1.75 0.77 -0.31 119.30 122.23 2wya s MET 191 Ca 0.26 -0.80 -0.09 0.00 -1.25 0.00 0.00 55.69 53.80 2wya s MET 191 Cb -0.12 -2.62 -0.04 0.00 2.84 0.00 0.00 34.83 34.88 2wya s MET 191 CO 0.18 -0.21 0.12 0.08 -0.65 0.00 0.00 175.02 174.54 2wya s VAL 192 N 1.31 5.02 -0.04 10.11 1.01 -0.15 -2.32 120.40 135.32 2wya s VAL 192 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.14 2wya s VAL 192 Cb -0.13 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 2wya s VAL 192 CO -0.12 0.38 -0.21 -0.69 0.00 0.00 0.00 175.10 174.47 2wya s VAL 193 N 0.94 1.69 0.04 2.92 1.01 -0.54 -0.42 120.40 126.04 2wya s VAL 193 Ca 0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 2wya s VAL 193 Cb -0.13 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2wya s VAL 193 CO 0.03 0.48 0.17 0.00 0.00 0.00 0.00 175.10 175.78 2wya s GLY 195 N -2.13 -0.46 -0.13 0.00 0.00 -1.09 -0.10 107.32 103.41 2wya s GLY 195 Ca -0.05 1.10 -0.31 0.00 0.00 0.00 0.00 44.72 45.46 2wya s GLY 195 CO -0.04 0.24 1.06 0.99 0.00 0.00 0.00 173.10 175.35 2wya s ASP 196 N -2.85 -0.26 -0.30 1.64 1.01 -0.52 -4.38 116.67 111.00 2wya s ASP 196 Ca 0.14 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2wya s ASP 196 Cb 0.06 0.25 0.06 0.00 1.01 0.00 0.00 42.92 44.31 2wya s ASP 196 CO -0.06 -0.38 -0.01 -0.63 0.21 0.00 0.00 175.17 174.30 2wya s ILE 197 N -2.25 2.72 -0.40 0.77 1.01 -1.26 -1.93 121.20 119.86 2wya s ILE 197 Ca 0.05 -1.60 -0.16 0.00 0.00 0.00 0.00 60.65 58.95 2wya s ILE 197 Cb -0.01 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2wya s ILE 197 CO -0.05 -0.18 0.37 0.00 0.00 0.00 0.00 174.94 175.09 2wya s ALA 198 N 1.17 3.46 0.02 9.38 0.00 0.70 -4.95 121.76 131.54 2wya s ALA 198 Ca -0.04 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.46 2wya s ALA 198 Cb -0.20 -2.93 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2wya s ALA 198 CO -0.03 -1.40 -0.09 0.14 0.00 0.00 0.00 175.76 174.38 2wya s VAL 199 N 1.96 0.68 0.17 0.00 -7.23 -1.26 -1.60 120.40 113.12 2wya s VAL 199 Ca 0.10 -0.72 0.06 0.00 -1.81 0.00 0.00 61.98 59.61 2wya s VAL 199 Cb -0.17 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.08 2wya s VAL 199 CO 0.12 -0.06 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.41 2wya s TYR 200 N -0.73 1.49 0.97 2.82 2.02 -1.26 -4.60 117.35 118.05 2wya s TYR 200 Ca -0.02 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 55.92 2wya s TYR 200 Cb -0.06 -0.73 0.17 0.00 -0.40 0.00 0.00 41.96 40.94 2wya s TYR 200 CO 0.00 0.22 1.09 -1.25 -1.57 0.00 0.00 175.55 174.04 2wya s PRO 201 N -3.52 0.69 0.20 -1.71 0.04 -1.26 -4.73 135.00 124.71 2wya s PRO 201 Ca 0.18 0.80 -0.32 0.00 0.04 0.00 0.00 61.00 61.69 2wya s PRO 201 Cb -0.00 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 2wya s PRO 201 CO 0.04 -2.63 1.35 0.45 0.04 0.00 0.00 177.00 176.25 2wya n SER 202 N -4.14 2.31 0.00 6.66 2.88 -1.26 -4.07 113.62 115.99 2wya n SER 202 Ca 0.06 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2wya n SER 202 Cb 0.55 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 2.29 0.17 0.16 0.46 0.00 -1.26 -4.94 105.19 102.07 2wya n GLY 203 Ca 0.14 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.61 2wya n GLY 203 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wya h ASN 204 N 0.00 0.00 0.70 1.61 2.35 -2.02 -2.81 115.58 115.42 2wya h ASN 204 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2wya h ASN 204 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2wya h ASN 204 CO 0.00 0.00 -1.37 0.00 -1.65 0.00 0.00 177.43 174.41 2wya n ALA 205 N -1.83 2.22 -0.35 -0.83 0.00 -1.26 -4.42 120.51 114.03 2wya n ALA 205 Ca 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.09 2wya n ALA 205 Cb 0.22 -0.95 0.28 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 0.87 0.00 0.00 2.43 -1.64 0.11 114.38 116.15 2wya h ARG 206 Ca -0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2wya h ARG 206 Cb 1.34 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2wya h ARG 206 CO 0.02 0.58 0.00 -2.30 -1.51 0.00 0.00 179.97 176.76 2wya n PRO 207 N -4.65 0.29 -0.55 0.20 -0.02 -1.26 -2.54 135.00 126.46 2wya n PRO 207 Ca 0.20 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.82 2wya n PRO 207 Cb 0.43 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.66 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 -1.15 2.39 -0.90 3.45 -2.24 0.39 -4.98 114.28 111.24 2wya n THR 208 Ca 0.08 -2.03 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 2wya n THR 208 Cb 0.07 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 -0.62 -0.53 0.00 3.38 0.00 -1.05 -4.09 105.19 102.28 2wya n GLY 209 Ca 0.25 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.35 3.59 -0.02 0.00 -0.62 -1.28 105.19 109.50 2wya n GLY 210 Ca 0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.63 -1.92 0.00 4.61 0.00 -1.25 -0.21 121.76 121.36 2wya s ALA 211 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2wya s ALA 211 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.26 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 1.24 -2.03 3.38 0.00 0.00 -0.81 -4.43 105.19 102.54 2wya n GLY 212 Ca -0.12 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.46 -1.07 -0.00 4.61 0.00 -0.24 -1.44 121.76 122.15 2wya s ALA 213 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2wya s ALA 213 Cb 0.00 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 2wya s ALA 213 CO 0.00 -0.71 -0.02 0.08 0.00 0.00 0.00 175.76 175.12 2wya s VAL 214 N -3.81 0.12 -0.05 0.00 1.01 0.86 -0.52 120.40 118.00 2wya s VAL 214 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.00 2wya s VAL 214 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 2wya s VAL 214 CO -0.10 0.02 -0.24 0.00 0.00 0.00 0.00 175.10 174.78 2wya s ALA 215 N -0.07 2.05 -0.06 5.51 0.00 -0.37 -1.19 121.76 127.63 2wya s ALA 215 Ca 0.00 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.01 2wya s ALA 215 Cb -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2wya s ALA 215 CO -0.00 0.40 -0.19 -1.64 0.00 0.00 0.00 175.76 174.33 2wya s MET 216 N -0.14 2.17 -0.19 0.00 -1.94 0.44 -0.68 119.30 118.95 2wya s MET 216 Ca -0.03 -0.67 -0.19 0.00 -1.71 0.00 0.00 55.69 53.09 2wya s MET 216 Cb -0.13 -1.78 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 2wya s MET 216 CO 0.03 0.19 0.56 -1.17 -0.01 0.00 0.00 175.02 174.63 2wya s LEU 217 N 0.24 4.15 -0.12 -0.03 2.96 -0.06 -0.98 118.68 124.84 2wya s LEU 217 Ca -0.10 0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 2wya s LEU 217 Cb -0.14 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 2wya s LEU 217 CO 0.04 -0.21 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.20 2wya s ILE 218 N 1.71 3.94 0.28 6.68 -1.09 0.57 -0.44 121.20 132.85 2wya s ILE 218 Ca 0.26 -0.36 -0.20 0.00 -2.23 0.00 0.00 60.65 58.13 2wya s ILE 218 Cb -0.16 -2.69 0.06 0.00 -1.58 0.00 0.00 42.46 38.09 2wya s ILE 218 CO 0.10 0.54 0.87 -0.83 -1.23 0.00 0.00 174.94 174.38 2wya s GLY 219 N -0.14 0.14 0.84 6.18 0.00 -0.63 -1.60 107.32 112.12 2wya s GLY 219 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 44.72 44.19 2wya s GLY 219 CO 0.02 0.47 1.09 -4.14 0.00 0.00 0.00 173.10 170.54 2wya s PRO 220 N -2.69 1.67 -1.43 2.90 0.02 -1.26 -1.60 135.00 132.61 2wya s PRO 220 Ca 0.16 0.96 -0.11 0.00 0.02 0.00 0.00 61.00 62.03 2wya s PRO 220 Cb -0.04 -1.85 0.04 0.00 0.02 0.00 0.00 34.50 32.67 2wya s PRO 220 CO 0.08 -1.99 1.11 1.63 -0.33 0.00 0.00 177.00 177.50 2wya n LYS 221 N -3.73 -7.03 -3.09 5.54 5.02 0.32 -4.87 118.16 110.32 2wya n LYS 221 Ca 0.08 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 2wya n LYS 221 Cb 0.54 -5.73 -0.06 0.00 -0.02 0.00 0.00 35.03 29.76 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 -3.31 3.38 0.20 7.82 0.00 0.06 -4.97 121.76 124.93 2wya s ALA 222 Ca 0.62 0.16 0.23 0.00 0.00 0.00 0.00 51.96 52.97 2wya s ALA 222 Cb -0.29 -2.83 0.95 0.00 0.00 0.00 0.00 23.12 20.95 2wya s ALA 222 CO 0.77 0.32 1.85 -1.00 0.00 0.00 0.00 175.76 177.70 2wya h PRO 223 N 3.12 0.00 -3.92 0.00 0.13 -1.88 -3.33 132.00 126.11 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 1.19 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.98 2wya h PRO 223 CO 0.65 0.25 -0.40 -0.51 -0.23 0.00 0.00 178.00 177.76 2wya s LEU 224 N -6.97 5.36 -0.15 1.56 1.43 -1.21 -0.60 118.68 118.10 2wya s LEU 224 Ca -0.00 -2.52 -0.16 0.00 -1.03 0.00 0.00 54.13 50.42 2wya s LEU 224 Cb 0.11 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2wya s LEU 224 CO 0.64 -0.46 0.37 0.00 0.23 0.00 0.00 176.35 177.13 2wya s ALA 225 N 0.43 3.54 0.24 4.21 0.00 -0.44 -1.29 121.76 128.45 2wya s ALA 225 Ca 0.13 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 2wya s ALA 225 Cb -0.21 -2.51 -0.11 0.00 0.00 0.00 0.00 23.12 20.29 2wya s ALA 225 CO -0.04 0.02 1.62 -0.51 0.00 0.00 0.00 175.76 176.85 2wya s LEU 226 N 0.60 4.36 -0.30 0.00 1.43 -0.70 -0.22 118.68 123.86 2wya s LEU 226 Ca 0.20 2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.85 2wya s LEU 226 Cb -0.14 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.48 2wya s LEU 226 CO 0.07 -0.90 1.13 -1.61 0.23 0.00 0.00 176.35 175.27 2wya s GLU 227 N 0.31 4.06 0.29 1.70 2.02 -0.07 -4.82 118.70 122.20 2wya s GLU 227 Ca 0.68 1.18 -0.29 0.00 0.02 0.00 0.00 54.97 56.55 2wya s GLU 227 Cb -0.47 -3.76 -0.10 0.00 0.10 0.00 0.00 34.13 29.90 2wya s GLU 227 CO 0.40 -0.91 1.33 1.03 0.02 0.00 0.00 175.26 177.13 2wya s ARG 228 N 3.71 4.35 0.00 1.61 0.52 -1.26 -2.58 118.95 125.31 2wya s ARG 228 Ca 0.48 2.19 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 2wya s ARG 228 Cb -0.14 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2wya s ARG 228 CO 0.16 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2wya n GLY 229 N 1.41 0.89 2.73 -3.53 0.00 -1.26 -4.95 105.19 100.48 2wya n GLY 229 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 5.31 -4.05 0.99 4.77 -1.06 -4.89 117.00 118.07 2wya n LEU 230 Ca 0.00 -5.38 -0.32 0.00 -0.03 0.00 0.00 56.01 50.28 2wya n LEU 230 Cb 0.00 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.00 2wya n LEU 230 CO 0.00 1.96 -0.45 -0.13 -1.33 0.00 0.00 177.39 177.44 2wya s ARG 231 N -2.95 2.12 -0.50 3.23 0.52 -1.26 -4.13 118.95 115.97 2wya s ARG 231 Ca 0.38 -1.34 -0.19 0.00 -0.52 0.00 0.00 55.73 54.05 2wya s ARG 231 Cb 0.13 -2.87 0.06 0.00 0.52 0.00 0.00 34.95 32.78 2wya s ARG 231 CO 0.01 -0.60 0.59 0.20 0.02 0.00 0.00 175.30 175.52 2wya s GLY 232 N 1.12 1.80 0.05 -3.53 0.00 0.33 -4.79 107.32 102.30 2wya s GLY 232 Ca -0.07 -1.75 0.07 0.00 0.00 0.00 0.00 44.72 42.97 2wya s GLY 232 CO -0.05 1.42 -0.17 -1.59 0.00 0.00 0.00 173.10 172.71 2wya s THR 233 N 2.51 2.89 -0.12 0.90 2.01 -1.26 -0.33 115.64 122.24 2wya s THR 233 Ca 0.14 -1.18 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 2wya s THR 233 Cb -0.19 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.13 2wya s THR 233 CO 0.12 0.31 0.26 -2.28 -0.69 0.00 0.00 174.62 172.34 2wya s HIS 234 N -0.96 -0.38 0.04 4.92 2.46 -0.30 -4.81 115.29 116.25 2wya s HIS 234 Ca 0.15 0.89 0.04 0.00 0.47 0.00 0.00 55.06 56.62 2wya s HIS 234 Cb -0.11 0.02 -0.02 0.00 -0.13 0.00 0.00 32.58 32.35 2wya s HIS 234 CO 0.06 -0.29 -0.13 -1.64 -2.47 0.00 0.00 174.74 170.27 2wya s MET 235 N 1.76 0.83 0.22 2.88 -1.94 -1.26 -1.18 119.30 120.60 2wya s MET 235 Ca -0.05 -0.74 -0.22 0.00 -1.71 0.00 0.00 55.69 52.97 2wya s MET 235 Cb -0.11 -0.81 0.05 0.00 2.01 0.00 0.00 34.83 35.97 2wya s MET 235 CO -0.09 0.20 0.67 -1.83 -0.01 0.00 0.00 175.02 173.96 2wya s GLU 236 N -1.19 1.53 -0.50 2.03 -1.05 -1.01 -5.01 118.70 113.49 2wya s GLU 236 Ca -0.00 -0.74 -0.20 0.00 -0.15 0.00 0.00 54.97 53.88 2wya s GLU 236 Cb -0.08 0.59 0.05 0.00 -0.44 0.00 0.00 34.13 34.25 2wya s GLU 236 CO 0.01 -0.69 0.68 1.21 0.95 0.00 0.00 175.26 177.43 2wya s ASN 237 N -2.84 6.26 0.22 0.83 2.47 -1.26 -0.54 114.94 120.08 2wya s ASN 237 Ca 0.06 -0.74 0.01 0.00 0.42 0.00 0.00 52.86 52.62 2wya s ASN 237 Cb -0.04 -2.32 -0.05 0.00 -1.45 0.00 0.00 41.25 37.40 2wya s ASN 237 CO -0.02 -0.93 0.06 0.68 -3.72 0.00 0.00 177.10 173.16 2wya s VAL 238 N 2.89 0.57 -0.42 -5.21 -7.23 -0.12 -4.92 120.40 105.97 2wya s VAL 238 Ca 0.19 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.45 2wya s VAL 238 Cb -0.17 -2.42 0.42 0.00 0.56 0.00 0.00 36.38 34.77 2wya s VAL 238 CO 0.14 -0.20 1.06 -1.22 -0.31 0.00 0.00 175.10 174.57 2wya n TYR 239 N -0.36 2.85 0.08 2.82 4.01 -1.26 -4.40 117.16 120.90 2wya n TYR 239 Ca -0.03 -3.09 -0.14 0.00 -0.16 0.00 0.00 57.90 54.48 2wya n TYR 239 Cb 0.65 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.43 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 2.71 0.49 -2.98 7.72 2.03 -1.91 -3.44 116.42 121.03 2wya h ASP 240 Ca 0.19 -0.43 -0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2wya h ASP 240 Cb 0.96 -0.15 -0.22 0.00 -0.83 0.00 0.00 39.33 39.09 2wya h ASP 240 CO 0.76 1.27 -0.05 0.12 -1.03 0.00 0.00 179.24 180.30 2wya s PHE 241 N -3.04 -0.99 0.21 4.15 5.36 -1.26 -1.24 117.98 121.17 2wya s PHE 241 Ca -0.05 1.98 -0.23 0.00 -0.96 0.00 0.00 56.93 57.67 2wya s PHE 241 Cb 0.08 0.57 0.05 0.00 -0.34 0.00 0.00 43.02 43.38 2wya s PHE 241 CO 0.87 -0.50 0.71 1.52 -1.46 0.00 0.00 175.22 176.36 2wya s TYR 242 N 1.68 -0.32 -0.54 10.12 -0.85 -0.74 -4.26 117.35 122.44 2wya s TYR 242 Ca -0.10 -0.02 0.06 0.00 -0.52 0.00 0.00 57.07 56.50 2wya s TYR 242 Cb -0.06 0.64 0.22 0.00 0.38 0.00 0.00 41.96 43.14 2wya s TYR 242 CO -0.18 -1.02 0.56 1.63 -1.52 0.00 0.00 175.55 175.02 2wya n LYS 243 N -0.42 1.45 0.02 -3.49 5.02 -1.26 -0.49 118.16 118.98 2wya n LYS 243 Ca -0.09 -3.94 0.12 0.00 -2.02 0.00 0.00 58.31 52.38 2wya n LYS 243 Cb 0.61 -1.84 0.18 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.55 0.11 -2.92 1.97 -0.04 -1.26 -4.60 135.00 129.81 2wya n PRO 244 Ca 0.25 0.02 -0.44 0.00 -0.04 0.00 0.00 63.50 63.29 2wya n PRO 244 Cb 0.45 -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 -3.41 6.49 0.47 3.54 0.01 -1.26 -4.89 114.94 115.89 2wya s ASN 245 Ca 0.09 -1.76 0.17 0.00 -0.71 0.00 0.00 52.86 50.65 2wya s ASN 245 Cb 0.16 -2.40 1.12 0.00 0.41 0.00 0.00 41.25 40.54 2wya s ASN 245 CO 0.73 -1.16 2.02 -0.07 -1.51 0.00 0.00 177.10 177.11 2wya h LEU 246 N 10.62 0.00 -1.42 0.60 3.38 -1.97 -0.70 115.31 125.81 2wya h LEU 246 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 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 1.13 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.82 2wya n ALA 247 N -2.46 2.48 -2.47 1.53 0.00 -1.26 -4.84 120.51 113.49 2wya n ALA 247 Ca -0.02 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 2wya n ALA 247 Cb 0.23 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.44 3.98 0.39 0.00 0.15 -0.27 -4.95 113.70 111.56 2wya s SER 248 Ca 0.33 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 57.02 2wya s SER 248 Cb 0.18 -0.80 1.12 0.00 -1.71 0.00 0.00 66.02 64.81 2wya s SER 248 CO 0.26 0.33 1.83 -0.08 1.20 0.00 0.00 173.24 176.78 2wya h GLU 249 N 5.19 0.00 -6.29 5.44 4.81 -1.88 -3.46 114.58 118.38 2wya h GLU 249 Ca -0.47 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.20 2wya h GLU 249 Cb 1.15 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 2wya h GLU 249 CO 0.50 0.00 0.02 0.71 -0.73 0.00 0.00 179.01 179.51 2wya s TYR 250 N -3.46 3.82 0.62 0.92 2.02 -1.26 -4.86 117.35 115.15 2wya s TYR 250 Ca 0.03 1.36 -0.10 0.00 -0.37 0.00 0.00 57.07 57.99 2wya s TYR 250 Cb 0.09 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.06 2wya s TYR 250 CO 0.48 0.55 1.00 -1.25 -1.57 0.00 0.00 175.55 174.76 2wya s PRO 251 N -1.05 3.38 -0.11 -1.71 0.04 -1.26 -4.78 135.00 129.51 2wya s PRO 251 Ca 0.31 0.55 -0.21 0.00 0.04 0.00 0.00 61.00 61.69 2wya s PRO 251 Cb -0.20 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2wya s PRO 251 CO 0.21 -0.62 0.59 0.42 0.04 0.00 0.00 177.00 177.63 2wya s ILE 252 N -3.14 5.10 -0.02 0.56 1.01 0.35 -4.95 121.20 120.11 2wya s ILE 252 Ca 0.54 1.19 0.01 0.00 0.00 0.00 0.00 60.65 62.39 2wya s ILE 252 Cb -0.11 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.45 2wya s ILE 252 CO 0.51 0.26 -0.02 0.54 0.00 0.00 0.00 174.94 176.23 2wya s VAL 253 N 0.93 0.29 -0.50 2.92 0.11 -1.26 -1.79 120.40 121.10 2wya s VAL 253 Ca 0.31 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 59.19 2wya s VAL 253 Cb -0.16 -0.32 0.11 0.00 -1.53 0.00 0.00 36.38 34.48 2wya s VAL 253 CO 0.13 0.14 0.41 -0.62 -3.33 0.00 0.00 175.10 171.84 2wya s ASP 254 N 0.63 5.98 0.12 3.54 -1.08 -0.37 -5.00 116.67 120.49 2wya s ASP 254 Ca -0.07 -1.74 -0.25 0.00 -0.52 0.00 0.00 52.55 49.97 2wya s ASP 254 Cb -0.10 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.18 2wya s ASP 254 CO -0.01 -0.75 1.65 1.23 0.52 0.00 0.00 175.17 177.81 2wya h GLY 255 N 8.68 -0.33 0.83 2.66 0.00 -1.98 0.74 103.07 113.67 2wya h GLY 255 Ca -0.26 0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2wya h GLY 255 CO 0.93 -0.19 0.28 1.70 0.00 0.00 0.00 176.54 179.26 2wya h LYS 256 N -0.36 0.54 -0.74 4.80 3.11 -1.96 -1.89 116.57 120.07 2wya h LYS 256 Ca 0.06 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 2wya h LYS 256 Cb 0.43 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 2wya h LYS 256 CO -0.19 0.36 0.25 1.25 -2.81 0.00 0.00 179.45 178.30 2wya h LEU 257 N 0.55 1.05 -1.00 5.20 5.85 -1.82 -1.35 115.31 123.79 2wya h LEU 257 Ca 0.21 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2wya h LEU 257 Cb 0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2wya h LEU 257 CO -0.11 0.96 0.23 0.77 -0.34 0.00 0.00 178.44 179.95 2wya h SER 258 N 1.09 0.88 -0.26 1.25 4.64 -0.35 0.14 113.55 120.94 2wya h SER 258 Ca 0.24 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2wya h SER 258 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2wya h SER 258 CO -0.01 0.80 -0.06 0.40 -0.87 0.00 0.00 176.83 177.09 2wya h ILE 259 N 0.93 1.28 -0.87 0.95 2.04 -0.98 -1.04 117.51 119.82 2wya h ILE 259 Ca 0.21 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2wya h ILE 259 Cb 0.22 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 2wya h ILE 259 CO -0.01 0.34 0.57 1.56 0.00 0.00 0.00 178.15 180.61 2wya h GLN 260 N 0.25 1.15 -0.36 2.37 4.20 -0.83 -1.92 115.11 119.97 2wya h GLN 260 Ca 0.07 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2wya h GLN 260 Cb 0.54 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2wya h GLN 260 CO 0.03 0.77 -0.34 0.00 -0.67 0.00 0.00 178.83 178.62 2wya h TYR 262 N 0.66 0.00 -0.32 0.00 3.20 -1.04 0.08 116.97 119.54 2wya h TYR 262 Ca 0.06 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2wya h TYR 262 Cb 0.92 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2wya h TYR 262 CO 0.07 -0.04 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.16 2wya h LEU 263 N 0.09 0.73 -0.41 2.82 3.38 -1.17 -0.46 115.31 120.29 2wya h LEU 263 Ca 0.13 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2wya h LEU 263 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wya h LEU 263 CO -0.22 1.00 -0.00 -0.09 0.09 0.00 0.00 178.44 179.22 2wya h ARG 264 N 0.60 0.73 -0.84 1.13 2.43 -0.78 -1.02 114.38 116.62 2wya h ARG 264 Ca 0.07 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2wya h ARG 264 Cb 0.84 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 2wya h ARG 264 CO 0.07 0.81 0.53 0.00 -1.51 0.00 0.00 179.97 179.87 2wya h ALA 265 N 0.89 1.37 -0.23 2.80 0.00 -0.80 -1.23 119.26 122.05 2wya h ALA 265 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wya h ALA 265 Cb 0.48 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wya h ALA 265 CO 0.02 0.57 0.13 1.25 0.00 0.00 0.00 179.25 181.22 2wya h LEU 266 N 1.14 0.28 -0.24 0.00 5.85 -0.68 0.74 115.31 122.39 2wya h LEU 266 Ca 0.30 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.01 2wya h LEU 266 Cb -0.10 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2wya h LEU 266 CO -0.06 0.26 -0.14 0.44 -0.34 0.00 0.00 178.44 178.60 2wya h ASP 267 N 0.27 -0.46 -0.48 1.25 3.32 -0.73 -0.20 116.42 119.38 2wya h ASP 267 Ca 0.08 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2wya h ASP 267 Cb 0.04 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wya h ASP 267 CO -0.01 -0.18 0.09 0.03 -1.72 0.00 0.00 179.24 177.44 2wya h ARG 268 N -0.12 0.79 -0.44 3.56 2.47 -0.85 -1.46 114.38 118.33 2wya h ARG 268 Ca 0.13 -0.21 -0.15 0.00 -1.26 0.00 0.00 59.98 58.50 2wya h ARG 268 Cb 0.32 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2wya h ARG 268 CO -0.32 0.79 -0.30 0.00 0.56 0.00 0.00 179.97 180.71 2wya h TYR 270 N 0.82 1.18 -0.52 0.00 3.20 -0.92 0.60 116.97 121.33 2wya h TYR 270 Ca 0.09 -0.16 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 2wya h TYR 270 Cb 0.88 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2wya h TYR 270 CO 0.06 0.98 0.20 1.15 -1.64 0.00 0.00 178.16 178.91 2wya h THR 271 N 1.04 1.22 -0.27 1.81 2.02 -1.15 -0.23 112.91 117.35 2wya h THR 271 Ca 0.21 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2wya h THR 271 Cb 0.43 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2wya h THR 271 CO 0.01 0.26 0.11 -1.28 0.37 0.00 0.00 175.52 174.99 2wya h SER 272 N 0.70 0.38 -0.27 4.18 0.87 -0.99 -1.40 113.55 117.01 2wya h SER 272 Ca 0.17 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2wya h SER 272 Cb 0.22 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2wya h SER 272 CO -0.01 0.44 0.15 0.22 -0.53 0.00 0.00 176.83 177.10 2wya h TYR 273 N 0.29 0.29 -0.86 2.24 3.20 -0.79 -1.81 116.97 119.53 2wya h TYR 273 Ca 0.09 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2wya h TYR 273 Cb 0.18 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 2wya h TYR 273 CO -0.01 0.17 0.57 0.00 -1.64 0.00 0.00 178.16 177.25 2wya h ARG 274 N 0.32 1.13 -0.68 1.82 3.08 -0.91 -0.86 114.38 118.28 2wya h ARG 274 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wya h ARG 274 Cb 0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 2wya h ARG 274 CO -0.05 0.75 0.43 -0.22 -1.07 0.00 0.00 179.97 179.80 2wya h LYS 275 N 1.16 0.90 -0.28 0.04 1.63 -0.97 -0.45 116.57 118.61 2wya h LYS 275 Ca 0.32 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.94 2wya h LYS 275 Cb -0.13 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 2wya h LYS 275 CO -0.07 0.62 -0.24 0.87 -3.45 0.00 0.00 179.45 177.18 2wya h LYS 276 N 0.92 0.66 -0.11 1.90 1.57 -0.69 -1.32 116.57 119.51 2wya h LYS 276 Ca 0.25 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 2wya h LYS 276 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2wya h LYS 276 CO -0.05 0.94 -0.63 0.97 -0.57 0.00 0.00 179.45 180.10 2wya h ILE 277 N 0.40 1.36 -0.42 1.86 2.10 -1.08 -2.17 117.51 119.56 2wya h ILE 277 Ca 0.05 -1.98 -0.07 0.00 1.08 0.00 0.00 64.86 63.94 2wya h ILE 277 Cb 0.79 1.97 -0.02 0.00 -1.09 0.00 0.00 36.82 38.48 2wya h ILE 277 CO 0.06 0.60 -0.01 1.56 -1.08 0.00 0.00 178.15 179.28 2wya h GLN 278 N 0.29 0.69 -0.60 2.19 4.20 -1.00 0.16 115.11 121.03 2wya h GLN 278 Ca -0.01 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 2wya h GLN 278 Cb 1.17 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 2wya h GLN 278 CO 0.11 0.71 0.13 -0.91 -0.67 0.00 0.00 178.83 178.20 2wya h ASN 279 N 0.65 0.93 -0.48 1.46 2.35 -1.02 0.19 115.58 119.66 2wya h ASN 279 Ca 0.13 -0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2wya h ASN 279 Cb 0.42 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 2wya h ASN 279 CO 0.02 0.94 0.23 1.56 -1.65 0.00 0.00 177.43 178.52 2wya h GLN 280 N 0.88 0.69 -0.79 0.81 4.20 -0.85 -1.83 115.11 118.22 2wya h GLN 280 Ca 0.19 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2wya h GLN 280 Cb 0.38 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 2wya h GLN 280 CO 0.01 0.58 0.40 -1.49 -0.67 0.00 0.00 178.83 177.66 2wya h TRP 281 N 0.63 1.11 -0.54 2.96 6.55 -0.33 -2.11 115.95 124.22 2wya h TRP 281 Ca 0.16 -0.04 -0.01 0.00 0.95 0.00 0.00 58.89 59.95 2wya h TRP 281 Cb 0.12 -0.35 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 2wya h TRP 281 CO -0.01 0.80 0.29 0.87 -1.05 0.00 0.00 178.44 179.34 2wya h LYS 282 N 1.10 0.76 0.00 0.49 1.57 -0.15 0.16 116.57 120.49 2wya h LYS 282 Ca 0.27 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2wya h LYS 282 Cb 0.08 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wya h LYS 282 CO -0.04 0.59 -0.03 1.96 -0.57 0.00 0.00 179.45 181.36 2wya h GLN 283 N 0.72 0.00 -0.31 3.15 4.20 -1.07 0.05 115.11 121.85 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 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2wya h GLN 283 CO -0.03 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 2wya n ALA 284 N -2.46 2.47 -1.08 3.87 0.00 -0.54 -4.92 120.51 117.84 2wya n ALA 284 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2wya n ALA 284 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.18 0.87 2.98 0.00 0.00 0.00 -5.05 105.19 105.18 2wya n GLY 285 Ca 0.15 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.63 1.83 0.00 1.61 0.15 0.44 -4.98 113.70 110.12 2wya s SER 286 Ca 0.00 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 56.60 2wya s SER 286 Cb 0.00 -0.81 0.39 0.00 -1.71 0.00 0.00 66.02 63.90 2wya s SER 286 CO 0.00 -0.01 1.38 0.47 1.20 0.00 0.00 173.24 176.27 2wya n ASP 287 N 4.14 3.06 -4.76 5.45 9.92 -1.26 -2.22 116.55 130.87 2wya n ASP 287 Ca -0.20 -1.95 -0.36 0.00 -0.53 0.00 0.00 54.79 51.74 2wya n ASP 287 Cb 0.51 -0.13 0.01 0.00 -0.64 0.00 0.00 41.12 40.87 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 -1.73 3.30 0.35 -1.24 1.70 -1.26 -5.00 118.95 115.06 2wya s ARG 288 Ca 0.34 1.80 -0.20 0.00 -0.47 0.00 0.00 55.73 57.20 2wya s ARG 288 Cb 0.21 -2.11 -0.10 0.00 -0.57 0.00 0.00 34.95 32.38 2wya s ARG 288 CO 0.31 -0.93 0.85 -1.25 -1.08 0.00 0.00 175.30 173.20 2wya s PRO 289 N -3.10 4.22 0.08 3.89 0.04 -1.26 -4.92 135.00 133.95 2wya s PRO 289 Ca 0.72 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2wya s PRO 289 Cb -0.29 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 2wya s PRO 289 CO 0.33 0.14 0.90 0.12 0.04 0.00 0.00 177.00 178.54 2wya s PHE 290 N -1.93 3.77 0.36 0.56 5.36 -1.26 -5.04 117.98 119.80 2wya s PHE 290 Ca 0.55 1.69 0.06 0.00 -0.96 0.00 0.00 56.93 58.27 2wya s PHE 290 Cb -0.12 -2.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.54 2wya s PHE 290 CO 0.17 0.21 0.24 0.95 -1.46 0.00 0.00 175.22 175.33 2wya s THR 291 N 0.08 0.15 0.64 0.12 -4.23 -1.26 -5.02 115.64 106.12 2wya s THR 291 Ca 0.45 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.28 2wya s THR 291 Cb -0.22 -2.44 0.36 0.00 1.34 0.00 0.00 72.50 71.54 2wya s THR 291 CO 0.27 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 176.36 2wya h LEU 292 N 2.02 0.00 -2.23 4.79 3.38 -1.94 -0.17 115.31 121.17 2wya h LEU 292 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 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 0.41 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.38 2wya h ASP 293 N 0.00 0.00 -0.11 -0.43 3.32 -1.99 -1.94 116.42 115.27 2wya h ASP 293 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wya h ASP 293 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2wya h ASP 293 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 2wya n ASP 294 N -2.98 1.83 -4.41 6.45 8.00 -0.07 -4.77 116.55 120.60 2wya n ASP 294 Ca -0.01 -1.66 -0.33 0.00 0.71 0.00 0.00 54.79 53.49 2wya n ASP 294 Cb 0.16 -0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.79 2.83 0.03 0.64 1.43 -0.73 -4.79 118.68 116.31 2wya s LEU 295 Ca 0.35 -0.27 0.10 0.00 -1.03 0.00 0.00 54.13 53.28 2wya s LEU 295 Cb 0.20 -1.64 -0.22 0.00 0.03 0.00 0.00 46.19 44.55 2wya s LEU 295 CO 0.30 0.19 0.95 1.56 0.23 0.00 0.00 176.35 179.58 2wya h GLN 296 N 6.52 0.00 -4.07 1.70 7.50 -1.48 -3.47 115.11 121.81 2wya h GLN 296 Ca -0.29 -0.01 -0.15 0.00 0.50 0.00 0.00 58.65 58.70 2wya h GLN 296 Cb 1.20 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.55 2wya h GLN 296 CO 0.56 0.73 -0.68 0.71 -1.50 0.00 0.00 178.83 178.66 2wya s TYR 297 N -2.65 0.36 -0.15 2.96 2.02 -1.07 -4.40 117.35 114.42 2wya s TYR 297 Ca -0.02 -0.73 -0.04 0.00 -0.37 0.00 0.00 57.07 55.90 2wya s TYR 297 Cb 0.09 -0.26 0.07 0.00 -0.40 0.00 0.00 41.96 41.46 2wya s TYR 297 CO 0.82 -0.28 0.25 1.41 -1.57 0.00 0.00 175.55 176.18 2wya s MET 298 N -2.48 0.16 0.17 -0.62 -2.45 -0.49 -0.76 119.30 112.83 2wya s MET 298 Ca -0.06 0.56 0.11 0.00 -1.25 0.00 0.00 55.69 55.04 2wya s MET 298 Cb -0.02 -0.43 -0.04 0.00 1.25 0.00 0.00 34.83 35.58 2wya s MET 298 CO -0.05 -0.42 -0.25 0.96 1.05 0.00 0.00 175.02 176.32 2wya s ILE 299 N 2.39 2.32 0.03 10.11 -4.36 -0.16 -4.31 121.20 127.22 2wya s ILE 299 Ca 0.04 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2wya s ILE 299 Cb -0.13 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 2wya s ILE 299 CO -0.10 -0.05 -0.05 -0.36 0.24 0.00 0.00 174.94 174.63 2wya s PHE 300 N -1.46 0.44 0.15 1.37 0.08 -1.26 -1.05 117.98 116.25 2wya s PHE 300 Ca 0.18 -0.58 -0.34 0.00 0.12 0.00 0.00 56.93 56.31 2wya s PHE 300 Cb -0.09 -0.29 -0.14 0.00 -0.57 0.00 0.00 43.02 41.93 2wya s PHE 300 CO 0.08 -0.17 1.55 1.58 -0.10 0.00 0.00 175.22 178.16 2wya n HIS 301 N 1.36 2.18 -3.89 0.36 -0.00 -0.15 -4.34 115.22 110.73 2wya n HIS 301 Ca -0.22 0.31 -0.30 0.00 -0.00 0.00 0.00 57.72 57.51 2wya n HIS 301 Cb 0.56 -2.52 -0.14 0.00 -0.00 0.00 0.00 29.99 27.89 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 0.86 2.12 0.32 3.57 2.01 -1.26 -4.89 115.64 118.38 2wya s THR 302 Ca 0.79 -2.80 0.11 0.00 0.31 0.00 0.00 61.69 60.10 2wya s THR 302 Cb -0.71 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.33 2wya s THR 302 CO 0.39 -0.77 1.72 1.55 -0.69 0.00 0.00 174.62 176.82 2wya h PRO 303 N 6.90 0.03 -2.17 4.92 0.13 -1.94 -3.40 132.00 136.47 2wya h PRO 303 Ca -0.06 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.15 2wya h PRO 303 Cb 0.93 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.90 2wya h PRO 303 CO 0.59 0.50 0.48 -0.59 -0.23 0.00 0.00 178.00 178.75 2wya s PHE 304 N -3.95 -0.37 0.21 1.56 -0.12 -1.26 -4.34 117.98 109.71 2wya s PHE 304 Ca -0.02 0.33 -0.06 0.00 -0.05 0.00 0.00 56.93 57.13 2wya s PHE 304 Cb 0.14 0.52 0.16 0.00 -0.63 0.00 0.00 43.02 43.21 2wya s PHE 304 CO 0.75 -0.52 1.64 0.00 -0.05 0.00 0.00 175.22 177.04 2wya h LYS 306 N 0.77 0.94 -0.85 0.00 1.63 -1.49 -1.30 116.57 116.27 2wya h LYS 306 Ca 0.12 -0.06 0.09 0.00 -0.85 0.00 0.00 60.65 59.96 2wya h LYS 306 Cb 0.66 -0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 32.01 2wya h LYS 306 CO 0.05 0.62 0.50 1.98 -3.45 0.00 0.00 179.45 179.14 2wya h MET 307 N 0.96 0.81 -0.22 1.90 4.05 -1.71 -1.66 114.93 119.06 2wya h MET 307 Ca 0.33 -0.05 -0.19 0.00 -0.28 0.00 0.00 59.70 59.52 2wya h MET 307 Cb 0.10 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2wya h MET 307 CO -0.10 0.54 -0.61 0.28 0.23 0.00 0.00 176.91 177.24 2wya h VAL 308 N 0.84 1.30 -0.80 -5.77 2.07 -1.26 0.01 116.25 112.63 2wya h VAL 308 Ca 0.40 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2wya h VAL 308 Cb 0.35 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2wya h VAL 308 CO -0.24 0.58 0.53 -0.61 0.02 0.00 0.00 177.57 177.86 2wya h GLN 309 N 0.55 1.06 0.00 1.57 4.15 -1.03 -0.86 115.11 120.54 2wya h GLN 309 Ca -0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 2wya h GLN 309 Cb 1.20 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2wya h GLN 309 CO 0.12 0.70 -0.39 0.87 -1.93 0.00 0.00 178.83 178.21 2wya h LYS 310 N 1.09 0.00 -0.19 1.69 1.57 -1.08 -2.48 116.57 117.18 2wya h LYS 310 Ca 0.30 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.87 2wya h LYS 310 Cb -0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.19 2wya h LYS 310 CO -0.07 0.39 -0.70 0.77 -0.57 0.00 0.00 179.45 179.27 2wya h SER 311 N 0.00 0.94 -0.73 0.86 0.02 -0.15 -0.54 113.55 113.95 2wya h SER 311 Ca -0.00 -0.60 -0.06 0.00 -0.84 0.00 0.00 61.79 60.28 2wya h SER 311 Cb 0.74 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2wya h SER 311 CO 0.05 1.39 0.22 0.25 -1.14 0.00 0.00 176.83 177.60 2wya h LEU 312 N 0.55 1.08 -1.05 5.07 5.85 -1.10 -1.17 115.31 124.54 2wya h LEU 312 Ca -0.03 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.51 2wya h LEU 312 Cb 1.33 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 2wya h LEU 312 CO 0.15 1.00 0.64 0.00 -0.34 0.00 0.00 178.44 179.89 2wya h ALA 313 N 1.14 1.34 -0.64 1.25 0.00 -1.32 -1.57 119.26 119.47 2wya h ALA 313 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2wya h ALA 313 Cb 0.31 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wya h ALA 313 CO -0.01 0.58 0.13 -0.09 0.00 0.00 0.00 179.25 179.86 2wya h ARG 314 N 1.27 1.02 -0.69 0.00 9.65 -0.33 -1.17 114.38 124.13 2wya h ARG 314 Ca 0.38 -0.25 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 2wya h ARG 314 Cb -0.06 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.36 2wya h ARG 314 CO -0.10 0.92 0.26 -0.07 2.80 0.00 0.00 179.97 183.78 2wya h LEU 315 N 0.97 0.97 -0.98 3.80 3.38 -0.71 -1.44 115.31 121.30 2wya h LEU 315 Ca 0.20 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2wya h LEU 315 Cb 0.38 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2wya h LEU 315 CO 0.01 0.89 0.37 -0.03 0.09 0.00 0.00 178.44 179.76 2wya h MET 316 N 0.99 1.10 -0.47 1.13 4.05 -0.83 -1.01 114.93 119.88 2wya h MET 316 Ca 0.23 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 2wya h MET 316 Cb 0.24 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2wya h MET 316 CO -0.02 0.84 0.05 0.35 0.23 0.00 0.00 176.91 178.36 2wya h PHE 317 N 1.09 0.78 -0.56 1.39 3.57 -0.84 -0.20 116.94 122.17 2wya h PHE 317 Ca 0.26 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wya h PHE 317 Cb 0.11 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2wya h PHE 317 CO 0.01 0.70 0.23 -0.97 -2.23 0.00 0.00 178.31 176.05 2wya h ASN 318 N 0.71 0.76 -0.38 0.41 -0.73 -0.54 0.23 115.58 116.04 2wya h ASN 318 Ca 0.15 -0.17 0.04 0.00 1.87 0.00 0.00 56.30 58.19 2wya h ASN 318 Cb 0.37 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2wya h ASN 318 CO 0.01 0.72 0.14 0.44 -0.37 0.00 0.00 177.43 178.37 2wya h ASP 319 N 0.76 0.17 -0.01 1.15 3.32 -0.61 -1.55 116.42 119.65 2wya h ASP 319 Ca 0.19 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2wya h ASP 319 Cb 0.19 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2wya h ASP 319 CO -0.02 0.13 0.01 0.15 -1.72 0.00 0.00 179.24 177.80 2wya h PHE 320 N 0.31 0.02 0.00 4.55 3.57 -0.66 -1.43 116.94 123.30 2wya h PHE 320 Ca 0.17 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wya h PHE 320 Cb 0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2wya h PHE 320 CO -0.14 0.04 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.71 2wya h LEU 321 N -0.01 0.00 0.00 0.59 3.38 -0.81 -2.23 115.31 116.23 2wya h LEU 321 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wya h LEU 321 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wya h LEU 321 CO -0.00 0.21 -0.29 -1.20 0.09 0.00 0.00 178.44 177.25 2wya n SER 322 N -3.63 0.37 -4.87 -0.43 7.64 -0.60 -4.94 113.62 107.15 2wya n SER 322 Ca -0.01 0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.70 2wya n SER 322 Cb 0.34 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 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 -3.03 3.21 0.76 -0.43 0.00 -0.57 -5.04 121.76 116.65 2wya s ALA 323 Ca 0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.79 2wya s ALA 323 Cb 0.17 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.44 2wya s ALA 323 CO 0.63 -0.41 1.13 -1.54 0.00 0.00 0.00 175.76 175.57 2wya s SER 324 N -3.79 4.33 0.26 0.00 1.04 -1.26 -4.76 113.70 109.51 2wya s SER 324 Ca 0.53 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.99 2wya s SER 324 Cb -0.11 -2.55 0.52 0.00 0.10 0.00 0.00 66.02 63.98 2wya s SER 324 CO 0.44 -2.16 1.74 -1.28 0.98 0.00 0.00 173.24 172.96 2wya h SER 325 N -0.76 0.38 -0.18 7.02 0.87 -1.96 0.60 113.55 119.51 2wya h SER 325 Ca -0.45 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2wya h SER 325 Cb 1.25 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2wya h SER 325 CO 0.50 0.14 0.10 0.44 -0.53 0.00 0.00 176.83 177.48 2wya h ASP 326 N 0.51 0.23 -0.75 6.23 3.32 -2.00 -2.26 116.42 121.70 2wya h ASP 326 Ca 0.45 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 2wya h ASP 326 Cb 0.68 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 2wya h ASP 326 CO -0.40 0.24 0.31 0.74 -1.72 0.00 0.00 179.24 178.41 2wya h THR 327 N 0.20 1.25 -0.26 0.35 2.02 -1.67 -1.38 112.91 113.42 2wya h THR 327 Ca 0.07 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.50 2wya h THR 327 Cb 0.06 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 2wya h THR 327 CO -0.01 0.32 0.07 1.56 0.37 0.00 0.00 175.52 177.83 2wya h GLN 328 N 1.09 0.18 -0.48 6.66 4.20 -0.68 0.33 115.11 126.41 2wya h GLN 328 Ca 0.26 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.86 2wya h GLN 328 Cb 0.19 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2wya h GLN 328 CO -0.02 0.12 -0.08 1.79 -0.67 0.00 0.00 178.83 179.97 2wya h THR 329 N 0.18 1.26 -0.05 -0.54 1.35 -1.10 -1.57 112.91 112.45 2wya h THR 329 Ca 0.11 -1.16 -0.11 0.00 -0.55 0.00 0.00 66.41 64.70 2wya h THR 329 Cb 0.09 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 67.49 2wya h THR 329 CO -0.13 0.40 -0.40 0.77 -0.25 0.00 0.00 175.52 175.91 2wya h SER 330 N 0.78 0.43 0.00 5.36 4.64 -0.89 -3.38 113.55 120.49 2wya h SER 330 Ca 0.13 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2wya h SER 330 Cb 0.58 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2wya h SER 330 CO 0.04 1.06 -1.15 0.18 -0.87 0.00 0.00 176.83 176.08 2wya n LEU 331 N -4.36 0.28 -2.42 5.97 4.77 0.07 -4.67 117.00 116.64 2wya n LEU 331 Ca -0.09 -0.23 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 2wya n LEU 331 Cb 0.56 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.67 2wya n LEU 331 CO 0.43 0.07 0.09 -1.22 -1.33 0.00 0.00 177.39 175.43 2wya n TYR 332 N -1.66 2.22 -0.36 -1.77 4.01 -0.59 -4.89 117.16 114.12 2wya n TYR 332 Ca -0.00 -2.41 0.11 0.00 -0.16 0.00 0.00 57.90 55.43 2wya n TYR 332 Cb 0.28 -0.27 0.29 0.00 -0.31 0.00 0.00 39.34 39.33 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 2.47 0.83 0.00 -0.72 6.56 -1.74 0.96 116.57 124.94 2wya h LYS 333 Ca 0.15 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2wya h LYS 333 Cb 1.31 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2wya h LYS 333 CO 0.57 0.55 0.00 0.41 -2.06 0.00 0.00 179.45 178.92 2wya n GLY 334 N -1.34 -0.95 0.07 3.86 0.00 -1.26 -2.92 105.19 102.65 2wya n GLY 334 Ca 0.22 -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 -1.37 0.75 0.11 0.99 4.77 0.32 -4.62 117.00 117.95 2wya n LEU 335 Ca 0.07 -0.56 0.15 0.00 -0.03 0.00 0.00 56.01 55.63 2wya n LEU 335 Cb 0.16 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.92 2wya n LEU 335 CO 0.14 0.17 1.14 -0.33 -1.33 0.00 0.00 177.39 177.18 2wya h GLU 336 N 0.32 0.01 0.00 3.23 5.08 -1.39 0.12 114.58 121.95 2wya h GLU 336 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wya h GLU 336 Cb 0.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wya h GLU 336 CO 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 2wya n ALA 337 N -2.60 1.33 -0.71 3.43 0.00 -1.26 -2.32 120.51 118.38 2wya n ALA 337 Ca 0.04 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.60 2wya n ALA 337 Cb 0.39 -1.22 0.10 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.83 0.05 0.25 0.00 3.72 0.43 -4.76 117.46 115.32 2wya n PHE 338 Ca 0.01 -0.83 0.12 0.00 -0.05 0.00 0.00 57.45 56.70 2wya n PHE 338 Cb 0.10 -0.12 0.59 0.00 -0.94 0.00 0.00 39.48 39.11 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 0.11 0.00 -2.02 1.37 0.00 -1.49 -1.56 103.07 99.49 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 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2wya n GLY 340 N -0.84 1.39 3.99 4.60 0.00 -1.26 -4.98 105.19 108.08 2wya n GLY 340 Ca -0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.54 3.12 0.22 0.99 1.43 -0.59 -5.11 118.68 117.21 2wya s LEU 341 Ca 0.32 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.27 2wya s LEU 341 Cb 0.20 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2wya s LEU 341 CO 0.29 -1.48 0.09 -0.54 0.23 0.00 0.00 176.35 174.94 2wya s LYS 342 N -4.93 2.66 0.25 1.70 -0.14 -1.26 -5.02 119.74 113.00 2wya s LYS 342 Ca 0.62 -1.11 -0.04 0.00 -1.36 0.00 0.00 55.97 54.08 2wya s LYS 342 Cb -0.08 -2.45 0.47 0.00 -1.68 0.00 0.00 37.83 34.10 2wya s LYS 342 CO 0.41 0.42 1.73 -0.07 -0.76 0.00 0.00 175.35 177.09 2wya h LEU 343 N 2.05 0.31 -2.51 3.17 3.38 -1.99 0.26 115.31 119.99 2wya h LEU 343 Ca -0.47 0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.62 2wya h LEU 343 Cb 1.22 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wya h LEU 343 CO 0.60 0.12 0.09 -0.33 0.09 0.00 0.00 178.44 179.01 2wya h GLU 344 N 0.46 0.00 0.00 1.13 3.07 -1.98 -2.55 114.58 114.71 2wya h GLU 344 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2wya h GLU 344 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2wya h GLU 344 CO -0.40 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.96 2wya n ASP 345 N -3.53 0.59 0.24 1.42 8.00 0.08 -2.57 116.55 120.78 2wya n ASP 345 Ca -0.02 0.64 0.17 0.00 0.71 0.00 0.00 54.79 56.29 2wya n ASP 345 Cb 0.17 -0.76 0.82 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.60 0.13 112.91 109.27 2wya h THR 346 Ca 0.00 -0.16 -0.14 0.00 -0.55 0.00 0.00 66.41 65.56 2wya h THR 346 Cb 0.37 0.98 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 2wya h THR 346 CO 0.00 0.00 -1.51 0.00 -0.25 0.00 0.00 175.52 173.76 2wya n TYR 347 N -2.73 0.78 -0.03 4.73 9.36 -1.06 -4.41 117.16 123.80 2wya n TYR 347 Ca -0.01 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.46 2wya n TYR 347 Cb 0.14 -0.99 -0.09 0.00 -0.63 0.00 0.00 39.34 37.77 2wya n TYR 347 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2wya n THR 348 N -2.77 0.39 -3.38 2.97 -2.24 -0.74 -4.93 114.28 103.58 2wya n THR 348 Ca -0.10 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.89 2wya n THR 348 Cb 0.79 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.88 6.18 0.16 3.42 3.84 0.39 -4.96 114.94 120.09 2wya s ASN 349 Ca -0.05 -0.43 -0.07 0.00 0.21 0.00 0.00 52.86 52.52 2wya s ASN 349 Cb 0.05 -2.20 0.01 0.00 -0.55 0.00 0.00 41.25 38.56 2wya s ASN 349 CO 0.47 -0.42 1.43 0.11 -2.79 0.00 0.00 177.10 175.90 2wya h LYS 350 N 8.56 0.66 -0.64 0.43 6.56 -1.91 -0.52 116.57 129.72 2wya h LYS 350 Ca -0.29 -0.45 -0.01 0.00 -1.06 0.00 0.00 60.65 58.84 2wya h LYS 350 Cb 1.13 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.83 2wya h LYS 350 CO 0.73 1.07 0.35 -0.44 -2.06 0.00 0.00 179.45 179.10 2wya h ASP 351 N 0.49 0.81 -0.18 0.86 3.32 -1.97 -1.10 116.42 118.65 2wya h ASP 351 Ca -0.01 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 2wya h ASP 351 Cb 1.19 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2wya h ASP 351 CO 0.12 0.68 -0.01 0.25 -1.72 0.00 0.00 179.24 178.55 2wya h LEU 352 N 0.88 0.32 -0.31 1.55 5.85 -1.88 -0.71 115.31 121.00 2wya h LEU 352 Ca 0.23 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.67 2wya h LEU 352 Cb 0.05 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2wya h LEU 352 CO -0.04 0.57 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.84 2wya h ASP 353 N 0.05 -0.16 -0.44 1.25 3.58 -0.99 0.01 116.42 119.73 2wya h ASP 353 Ca 0.05 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2wya h ASP 353 Cb 0.42 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2wya h ASP 353 CO 0.01 -0.04 0.23 0.11 -2.88 0.00 0.00 179.24 176.66 2wya h LYS 354 N 0.07 0.63 -0.72 0.28 1.79 -1.12 -1.17 116.57 116.33 2wya h LYS 354 Ca 0.15 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2wya h LYS 354 Cb 0.21 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 2wya h LYS 354 CO -0.26 0.52 0.31 0.00 -1.08 0.00 0.00 179.45 178.93 2wya h ALA 355 N 1.07 1.20 -0.30 3.86 0.00 -0.77 -1.76 119.26 122.55 2wya h ALA 355 Ca 0.15 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2wya h ALA 355 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wya h ALA 355 CO -0.02 0.60 -0.48 -0.07 0.00 0.00 0.00 179.25 179.28 2wya h LEU 356 N 1.03 0.94 -0.65 0.00 3.38 -0.74 0.29 115.31 119.56 2wya h LEU 356 Ca 0.24 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2wya h LEU 356 Cb 0.16 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2wya h LEU 356 CO -0.03 1.28 0.38 -0.07 0.09 0.00 0.00 178.44 180.09 2wya h LEU 357 N 0.64 0.79 -0.09 1.67 3.38 -1.06 -0.22 115.31 120.41 2wya h LEU 357 Ca 0.03 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wya h LEU 357 Cb 1.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2wya h LEU 357 CO 0.11 0.63 0.01 0.50 0.09 0.00 0.00 178.44 179.78 2wya h LYS 358 N 0.88 0.16 -0.13 1.13 3.64 -1.22 -1.84 116.57 119.19 2wya h LYS 358 Ca 0.23 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2wya h LYS 358 Cb -0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2wya h LYS 358 CO -0.04 0.38 -0.08 0.00 -2.27 0.00 0.00 179.45 177.43 2wya h ALA 359 N 0.78 1.62 -0.24 5.00 0.00 -0.78 -2.90 119.26 122.73 2wya h ALA 359 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wya h ALA 359 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wya h ALA 359 CO 0.00 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 2wya n SER 360 N -4.33 3.26 -0.18 0.00 3.41 -0.11 -4.58 113.62 111.09 2wya n SER 360 Ca -0.01 -1.99 -0.04 0.00 -0.26 0.00 0.00 58.87 56.57 2wya n SER 360 Cb 0.22 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 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 4.57 0.54 -0.39 4.33 5.75 -1.12 0.11 115.11 128.90 2wya h GLN 361 Ca 0.00 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2wya h GLN 361 Cb 0.99 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2wya h GLN 361 CO 0.00 0.36 0.10 0.22 -2.65 0.00 0.00 178.83 176.86 2wya h ASP 362 N 0.56 0.60 -0.74 -0.69 3.58 -1.81 0.14 116.42 118.07 2wya h ASP 362 Ca 0.23 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2wya h ASP 362 Cb 0.11 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2wya h ASP 362 CO -0.15 0.67 0.29 0.24 -2.88 0.00 0.00 179.24 177.42 2wya h MET 363 N 0.49 1.10 -0.16 0.28 2.86 -1.77 -1.20 114.93 116.54 2wya h MET 363 Ca 0.12 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2wya h MET 363 Cb 0.31 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2wya h MET 363 CO 0.00 0.90 0.09 0.35 1.06 0.00 0.00 176.91 179.32 2wya h PHE 364 N 1.06 0.18 -0.84 -0.22 3.57 -0.53 0.21 116.94 120.37 2wya h PHE 364 Ca 0.25 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 2wya h PHE 364 Cb 0.21 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2wya h PHE 364 CO 0.02 0.11 0.55 -0.44 -2.23 0.00 0.00 178.31 176.32 2wya h ASP 365 N 0.19 0.95 0.23 0.41 3.32 -0.69 0.40 116.42 121.23 2wya h ASP 365 Ca 0.06 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.75 2wya h ASP 365 Cb -0.01 -0.24 0.03 0.00 0.22 0.00 0.00 39.33 39.33 2wya h ASP 365 CO -0.03 0.69 -1.57 0.11 -1.72 0.00 0.00 179.24 176.72 2wya h LYS 366 N 1.12 0.48 0.00 3.56 1.57 -0.95 -3.39 116.57 118.97 2wya h LYS 366 Ca 0.31 -0.82 -0.11 0.00 -1.87 0.00 0.00 60.65 58.16 2wya h LYS 366 Cb -0.11 0.31 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2wya h LYS 366 CO -0.07 1.39 -2.07 1.63 -0.57 0.00 0.00 179.45 179.76 2wya n LYS 367 N -3.69 0.69 0.00 3.15 5.02 0.70 -4.83 118.16 119.20 2wya n LYS 367 Ca -0.20 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.95 2wya n LYS 367 Cb 1.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 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 -2.38 0.00 -0.13 -0.18 -1.04 -0.69 -1.39 114.28 108.48 2wya n THR 368 Ca -0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.85 2wya n THR 368 Cb 0.72 -0.30 0.04 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.17 -0.21 -2.82 3.64 -1.14 -1.39 116.57 114.82 2wya h LYS 369 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2wya h LYS 369 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2wya h LYS 369 CO 0.00 0.11 0.14 0.00 -2.27 0.00 0.00 179.45 177.43 2wya h ALA 370 N 1.33 1.90 0.00 5.00 0.00 -1.85 -1.56 119.26 124.09 2wya h ALA 370 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wya h ALA 370 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wya h ALA 370 CO -0.29 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 2wya n SER 371 N -4.51 0.18 -0.66 0.00 3.41 -0.53 -2.85 113.62 108.67 2wya n SER 371 Ca 0.00 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2wya n SER 371 Cb 0.10 -0.58 0.36 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.70 1.99 0.13 1.04 4.77 -0.59 -4.27 117.00 118.37 2wya n LEU 372 Ca 0.03 -0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 55.08 2wya n LEU 372 Cb 0.17 -0.10 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 2wya n LEU 372 CO 0.14 0.40 0.78 0.22 -1.33 0.00 0.00 177.39 177.60 2wya h TYR 373 N 2.76 -0.24 -0.58 -1.77 3.20 -1.70 0.21 116.97 118.85 2wya h TYR 373 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2wya h TYR 373 Cb 0.60 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2wya h TYR 373 CO 0.10 -0.11 0.36 1.25 -1.64 0.00 0.00 178.16 178.12 2wya h LEU 374 N -0.31 0.69 -0.59 2.82 5.85 -1.85 -2.21 115.31 119.71 2wya h LEU 374 Ca -0.03 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2wya h LEU 374 Cb 0.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2wya h LEU 374 CO 0.04 0.54 0.35 0.28 -0.34 0.00 0.00 178.44 179.31 2wya h SER 375 N 0.79 0.57 0.70 1.25 0.02 -1.74 0.26 113.55 115.39 2wya h SER 375 Ca 0.21 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2wya h SER 375 Cb -0.04 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2wya h SER 375 CO -0.04 0.39 -0.19 0.00 -1.14 0.00 0.00 176.83 175.85 2wya h THR 376 N 0.69 0.57 -0.01 -2.27 1.03 -0.68 0.11 112.91 112.34 2wya h THR 376 Ca 0.24 -0.90 0.00 0.00 -0.01 0.00 0.00 66.41 65.74 2wya h THR 376 Cb 0.05 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 68.73 2wya h THR 376 CO -0.11 0.19 -0.74 1.41 -0.01 0.00 0.00 175.52 176.26 2wya n HIS 377 N -3.48 0.00 0.00 0.00 -0.00 -0.70 -0.60 115.22 110.43 2wya n HIS 377 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2wya n HIS 377 Cb 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.33 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 -0.89 2.08 0.00 0.41 5.15 0.84 -4.25 115.26 118.59 2wya n ASN 378 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2wya n ASN 378 Cb 0.38 0.25 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 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 1.43 -1.81 3.59 8.20 0.00 0.36 -0.60 105.19 116.36 2wya n GLY 379 Ca 0.00 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 6.59 -0.41 1.61 3.84 -0.41 -4.64 114.94 117.53 2wya s ASN 380 Ca 0.00 0.38 0.05 0.00 0.21 0.00 0.00 52.86 53.50 2wya s ASN 380 Cb 0.00 -2.45 0.56 0.00 -0.55 0.00 0.00 41.25 38.82 2wya s ASN 380 CO 0.00 -0.89 1.71 1.15 -2.79 0.00 0.00 177.10 176.28 2wya n MET 381 N 6.82 2.23 0.00 0.43 0.00 -1.26 -2.38 117.12 122.96 2wya n MET 381 Ca 0.06 -3.20 0.00 0.00 0.00 0.00 0.00 57.70 54.56 2wya n MET 381 Cb 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 33.22 31.64 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 -1.08 0.00 0.08 3.17 4.01 -1.26 -2.47 117.16 119.60 2wya n TYR 382 Ca 0.49 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.34 2wya n TYR 382 Cb 1.24 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.86 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 0.93 -0.20 -0.72 1.35 -1.82 -0.66 112.91 111.80 2wya h THR 383 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2wya h THR 383 Cb 0.00 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2wya h THR 383 CO 0.00 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 173.76 2wya n SER 384 N -4.48 2.25 0.14 5.36 3.41 -1.03 -4.41 113.62 114.87 2wya n SER 384 Ca 0.04 -1.79 -0.13 0.00 -0.26 0.00 0.00 58.87 56.73 2wya n SER 384 Cb 0.27 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 64.04 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 3.07 -0.47 -0.89 4.04 0.87 -1.22 0.37 113.55 119.32 2wya h SER 385 Ca 0.00 0.04 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 2wya h SER 385 Cb 0.67 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.71 2wya h SER 385 CO 0.00 -0.27 0.52 0.25 -0.53 0.00 0.00 176.83 176.80 2wya h LEU 386 N -0.39 0.73 -0.30 2.23 5.85 -1.77 -1.53 115.31 120.13 2wya h LEU 386 Ca -0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2wya h LEU 386 Cb 0.37 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2wya h LEU 386 CO -0.04 0.39 -0.39 1.88 -0.34 0.00 0.00 178.44 179.94 2wya h TYR 387 N 0.83 0.00 -0.14 1.25 -1.99 -1.70 -1.63 116.97 113.59 2wya h TYR 387 Ca 0.44 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 61.08 2wya h TYR 387 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 2wya h TYR 387 CO -0.05 0.39 -0.32 0.78 -0.00 0.00 0.00 178.16 178.97 2wya h GLY 388 N 3.13 0.29 1.43 3.88 0.00 -0.21 -1.22 103.07 110.38 2wya h GLY 388 Ca -0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2wya h GLY 388 CO 0.05 0.22 -0.36 0.00 0.00 0.00 0.00 176.54 176.45 2wya h LEU 390 N 0.53 0.66 -0.82 0.00 5.85 -1.06 -0.31 115.31 120.15 2wya h LEU 390 Ca 0.05 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2wya h LEU 390 Cb 0.87 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2wya h LEU 390 CO 0.08 0.58 0.54 0.00 -0.34 0.00 0.00 178.44 179.30 2wya h ALA 391 N 1.11 1.05 -0.69 1.25 0.00 -0.98 -1.43 119.26 119.57 2wya h ALA 391 Ca 0.18 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2wya h ALA 391 Cb 0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2wya h ALA 391 CO -0.03 0.44 0.16 0.77 0.00 0.00 0.00 179.25 180.59 2wya h SER 392 N 1.10 1.05 -0.09 0.00 0.02 -0.69 -0.51 113.55 114.43 2wya h SER 392 Ca 0.31 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2wya h SER 392 Cb -0.11 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.15 2wya h SER 392 CO -0.07 1.01 0.06 0.25 -1.14 0.00 0.00 176.83 176.94 2wya h LEU 393 N 1.05 0.11 -1.41 5.07 5.85 -0.65 -2.25 115.31 123.07 2wya h LEU 393 Ca 0.22 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2wya h LEU 393 Cb 0.38 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2wya h LEU 393 CO 0.00 0.11 0.27 -0.07 -0.34 0.00 0.00 178.44 178.42 2wya h LEU 394 N 0.09 0.59 -0.92 2.25 3.38 -1.06 -2.65 115.31 116.99 2wya h LEU 394 Ca 0.03 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2wya h LEU 394 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wya h LEU 394 CO -0.01 0.48 -0.51 0.77 0.09 0.00 0.00 178.44 179.26 2wya h SER 395 N 0.68 0.00 0.29 -0.43 4.64 -0.77 -3.30 113.55 114.66 2wya h SER 395 Ca 0.18 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.16 2wya h SER 395 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2wya h SER 395 CO -0.03 0.51 -1.63 -0.74 -0.87 0.00 0.00 176.83 174.07 2wya h HIS 396 N 0.00 0.68 -2.77 4.77 -0.00 -1.08 -3.43 115.15 113.32 2wya h HIS 396 Ca -0.01 -0.50 -0.59 0.00 -0.00 0.00 0.00 60.37 59.28 2wya h HIS 396 Cb 0.96 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.30 2wya h HIS 396 CO 0.00 1.56 -0.49 -1.01 -0.00 0.00 0.00 177.93 178.00 2wya s HIS 397 N -2.60 3.50 0.63 5.26 3.76 -1.05 -5.10 115.29 119.70 2wya s HIS 397 Ca -0.12 0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 54.85 2wya s HIS 397 Cb 0.06 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 2wya s HIS 397 CO 0.87 0.56 1.04 -1.54 -0.85 0.00 0.00 174.74 174.82 2wya s SER 398 N -2.80 5.84 0.27 1.40 1.04 -1.26 -4.87 113.70 113.32 2wya s SER 398 Ca 0.35 1.61 -0.01 0.00 0.48 0.00 0.00 55.95 58.37 2wya s SER 398 Cb -0.12 -2.50 0.45 0.00 0.10 0.00 0.00 66.02 63.95 2wya s SER 398 CO 0.28 -1.13 1.86 0.00 0.98 0.00 0.00 173.24 175.24 2wya h ALA 399 N -0.14 1.41 -0.74 5.32 0.00 -1.91 -2.08 119.26 121.12 2wya h ALA 399 Ca -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2wya h ALA 399 Cb 1.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2wya h ALA 399 CO 0.59 0.35 0.33 0.37 0.00 0.00 0.00 179.25 180.88 2wya h GLN 400 N 1.09 1.08 -0.62 0.00 5.75 -1.93 -0.54 115.11 119.95 2wya h GLN 400 Ca 0.45 -0.17 -0.07 0.00 -0.15 0.00 0.00 58.65 58.71 2wya h GLN 400 Cb 0.28 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2wya h GLN 400 CO -0.21 0.86 0.10 0.93 -2.65 0.00 0.00 178.83 177.86 2wya h GLU 401 N 1.07 1.00 0.00 1.69 5.08 -1.78 -3.14 114.58 118.50 2wya h GLU 401 Ca 0.25 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2wya h GLU 401 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wya h GLU 401 CO -0.03 0.92 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.32 2wya h LEU 402 N 0.94 0.00 -9.33 1.33 3.38 -0.98 -3.47 115.31 107.19 2wya h LEU 402 Ca 0.19 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.51 2wya h LEU 402 Cb 0.41 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.22 2wya h LEU 402 CO 0.01 0.45 0.56 0.00 0.09 0.00 0.00 178.44 179.55 2wya n ALA 403 N -2.22 -0.33 -0.82 1.53 0.00 -0.25 -1.72 120.51 116.70 2wya n ALA 403 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2wya n ALA 403 Cb 0.72 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 2.79 1.32 3.92 0.00 0.00 -0.45 -4.89 105.19 107.89 2wya n GLY 404 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.16 5.25 -0.18 1.61 1.04 -0.70 -4.67 113.70 112.88 2wya s SER 405 Ca 0.00 0.66 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 2wya s SER 405 Cb 0.00 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.60 2wya s SER 405 CO 0.00 -1.32 0.01 -0.60 0.98 0.00 0.00 173.24 172.31 2wya s ARG 406 N -5.15 3.76 -0.30 4.02 3.52 -1.26 -0.99 118.95 122.55 2wya s ARG 406 Ca 0.57 -0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 55.64 2wya s ARG 406 Cb -0.11 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.22 2wya s ARG 406 CO 0.46 0.18 0.09 0.42 -0.81 0.00 0.00 175.30 175.64 2wya s ILE 407 N 0.57 4.01 0.38 4.11 1.01 -0.36 -1.31 121.20 129.61 2wya s ILE 407 Ca -0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 2wya s ILE 407 Cb -0.14 -3.08 -0.10 0.00 0.01 0.00 0.00 42.46 39.15 2wya s ILE 407 CO 0.02 0.06 0.84 -0.83 0.00 0.00 0.00 174.94 175.03 2wya s GLY 408 N 1.50 2.34 -0.03 6.18 0.00 0.06 -0.78 107.32 116.60 2wya s GLY 408 Ca 0.02 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 2wya s GLY 408 CO 0.03 0.44 0.05 0.00 0.00 0.00 0.00 173.10 173.62 2wya s ALA 409 N -2.10 -0.02 -0.17 3.20 0.00 0.22 -0.99 121.76 121.90 2wya s ALA 409 Ca 0.58 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2wya s ALA 409 Cb -0.10 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2wya s ALA 409 CO 0.16 -0.09 -0.19 0.12 0.00 0.00 0.00 175.76 175.75 2wya s PHE 410 N 0.82 2.77 -0.13 0.00 5.36 -0.21 -1.04 117.98 125.55 2wya s PHE 410 Ca -0.07 -1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 54.35 2wya s PHE 410 Cb -0.09 -1.91 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 2wya s PHE 410 CO -0.03 -0.75 -0.09 0.45 -1.46 0.00 0.00 175.22 173.35 2wya s SER 411 N 1.21 4.42 0.04 6.13 0.15 -0.20 -0.98 113.70 124.46 2wya s SER 411 Ca 0.03 -0.20 0.06 0.00 0.70 0.00 0.00 55.95 56.53 2wya s SER 411 Cb -0.14 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2wya s SER 411 CO -0.10 0.20 -0.16 -0.47 1.20 0.00 0.00 173.24 173.91 2wya s TYR 412 N 0.14 1.38 -0.02 3.44 5.04 -1.26 -1.42 117.35 124.64 2wya s TYR 412 Ca -0.04 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2wya s TYR 412 Cb -0.14 -0.81 0.02 0.00 0.35 0.00 0.00 41.96 41.37 2wya s TYR 412 CO 0.04 0.05 -0.00 0.20 -1.34 0.00 0.00 175.55 174.50 2wya s GLY 413 N -1.19 0.18 0.71 8.97 0.00 0.50 -3.58 107.32 112.90 2wya s GLY 413 Ca 0.03 0.12 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 2wya s GLY 413 CO 0.01 0.43 1.25 1.44 0.00 0.00 0.00 173.10 176.23 2wya n SER 414 N 3.85 1.63 0.00 1.64 7.64 -1.26 -0.88 113.62 126.24 2wya n SER 414 Ca -0.23 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.38 2wya n SER 414 Cb 0.53 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 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 0.80 0.65 3.08 0.23 0.00 -1.26 -4.47 105.19 104.22 2wya n GLY 415 Ca 0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 2.45 -0.01 0.99 0.05 0.30 -0.94 118.68 121.51 2wya s LEU 416 Ca 0.00 -0.93 0.00 0.00 0.05 0.00 0.00 54.13 53.26 2wya s LEU 416 Cb 0.00 0.16 0.01 0.00 -2.05 0.00 0.00 46.19 44.32 2wya s LEU 416 CO 0.00 -0.55 -0.00 0.00 -0.55 0.00 0.00 176.35 175.25 2wya s ALA 417 N -3.53 0.18 -0.02 1.48 0.00 -0.05 -2.41 121.76 117.39 2wya s ALA 417 Ca 0.04 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.94 2wya s ALA 417 Cb 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2wya s ALA 417 CO -0.08 -0.03 0.32 0.00 0.00 0.00 0.00 175.76 175.97 2wya s ALA 418 N 0.53 -0.81 -0.04 0.00 0.00 -0.33 -0.37 121.76 120.74 2wya s ALA 418 Ca -0.05 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 2wya s ALA 418 Cb -0.07 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2wya s ALA 418 CO -0.01 -0.26 0.12 -1.12 0.00 0.00 0.00 175.76 174.49 2wya s SER 419 N -1.24 -0.12 -0.17 0.00 0.01 -0.50 -1.15 113.70 110.52 2wya s SER 419 Ca -0.13 0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2wya s SER 419 Cb -0.05 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.40 2wya s SER 419 CO 0.04 -0.04 -0.04 0.12 0.41 0.00 0.00 173.24 173.72 2wya s PHE 420 N 0.05 2.98 0.20 2.43 5.36 0.55 -1.03 117.98 128.52 2wya s PHE 420 Ca -0.00 -0.51 -0.00 0.00 -0.96 0.00 0.00 56.93 55.46 2wya s PHE 420 Cb -0.01 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.68 2wya s PHE 420 CO 0.00 -0.21 0.26 1.97 -1.46 0.00 0.00 175.22 175.79 2wya n PHE 421 N 3.94 -0.92 -3.71 10.12 1.16 -0.21 -0.51 117.46 127.32 2wya n PHE 421 Ca -0.18 -1.40 -0.10 0.00 -1.87 0.00 0.00 57.45 53.91 2wya n PHE 421 Cb 0.52 0.29 -0.05 0.00 -1.61 0.00 0.00 39.48 38.63 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 -2.26 -0.15 0.05 5.98 1.04 -1.26 -0.61 113.70 116.48 2wya s SER 422 Ca 0.18 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.25 2wya s SER 422 Cb -0.00 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2wya s SER 422 CO 0.13 -0.85 -0.22 -0.36 0.98 0.00 0.00 173.24 172.92 2wya s PHE 423 N -3.83 2.46 -0.21 5.02 0.08 0.04 -0.89 117.98 120.64 2wya s PHE 423 Ca 0.05 -0.32 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 2wya s PHE 423 Cb 0.02 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2wya s PHE 423 CO -0.10 0.21 0.05 0.50 -0.10 0.00 0.00 175.22 175.79 2wya s ARG 424 N -1.40 3.79 0.06 0.44 6.06 0.69 -1.23 118.95 127.36 2wya s ARG 424 Ca 0.14 -0.43 -0.23 0.00 -2.50 0.00 0.00 55.73 52.71 2wya s ARG 424 Cb -0.10 -3.23 -0.06 0.00 0.06 0.00 0.00 34.95 31.62 2wya s ARG 424 CO 0.04 0.06 0.70 0.08 -2.50 0.00 0.00 175.30 173.68 2wya s VAL 425 N 0.94 4.69 0.61 7.11 1.01 -0.16 -1.33 120.40 133.27 2wya s VAL 425 Ca 0.03 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.33 2wya s VAL 425 Cb -0.14 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 2wya s VAL 425 CO 0.03 0.44 0.80 -0.24 0.00 0.00 0.00 175.10 176.13 2wya n SER 426 N 2.37 0.07 0.18 3.32 2.88 0.23 -1.88 113.62 120.79 2wya n SER 426 Ca -0.05 0.76 0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2wya n SER 426 Cb 0.50 -1.31 0.36 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.30 0.00 -6.05 -1.46 1.08 -1.92 -1.19 115.11 105.87 2wya h GLN 427 Ca -0.47 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.12 2wya h GLN 427 Cb 1.38 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.69 2wya h GLN 427 CO 0.49 0.00 0.57 0.34 -0.95 0.00 0.00 178.83 179.28 2wya s ASP 428 N -5.35 6.44 -0.12 1.46 2.15 -1.26 -4.75 116.67 115.23 2wya s ASP 428 Ca 0.07 -0.05 0.16 0.00 0.43 0.00 0.00 52.55 53.16 2wya s ASP 428 Cb 0.08 -2.44 0.28 0.00 -0.30 0.00 0.00 42.92 40.54 2wya s ASP 428 CO 0.60 -1.11 1.16 0.00 -0.17 0.00 0.00 175.17 175.64 2wya n ALA 429 N 7.27 2.29 -1.53 3.66 0.00 -1.26 -4.39 120.51 126.54 2wya n ALA 429 Ca 0.05 -2.39 -0.35 0.00 0.00 0.00 0.00 53.44 50.74 2wya n ALA 429 Cb 0.48 -0.36 0.06 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.63 2.34 0.22 0.00 0.00 -1.26 -4.61 121.76 115.81 2wya s ALA 430 Ca 0.29 0.86 -0.32 0.00 0.00 0.00 0.00 51.96 52.79 2wya s ALA 430 Cb 0.25 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 2wya s ALA 430 CO 0.03 -1.50 1.47 -2.30 0.00 0.00 0.00 175.76 173.46 2wya n PRO 431 N -2.25 2.11 -0.32 0.00 -0.02 -1.26 -1.16 135.00 132.11 2wya n PRO 431 Ca 0.13 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 2wya n PRO 431 Cb 0.50 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.52 1.58 3.74 -1.23 0.00 -1.26 -5.04 105.19 105.49 2wya n GLY 432 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.24 4.02 0.31 1.61 1.04 -0.31 -4.76 113.70 112.37 2wya s SER 433 Ca 0.00 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.29 2wya s SER 433 Cb 0.00 -2.47 0.64 0.00 0.10 0.00 0.00 66.02 64.29 2wya s SER 433 CO 0.00 -2.34 1.87 -0.65 0.98 0.00 0.00 173.24 173.09 2wya h PRO 434 N -1.34 0.88 -0.25 4.02 0.11 -1.88 0.06 132.00 133.60 2wya h PRO 434 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2wya h PRO 434 Cb 1.25 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2wya h PRO 434 CO 0.50 0.58 -0.04 1.25 -0.21 0.00 0.00 178.00 180.09 2wya h LEU 435 N 0.90 0.46 -0.50 2.35 5.85 -1.92 -1.54 115.31 120.92 2wya h LEU 435 Ca 0.45 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2wya h LEU 435 Cb 0.49 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2wya h LEU 435 CO -0.21 0.70 0.30 -0.78 -0.34 0.00 0.00 178.44 178.10 2wya h ASP 436 N 0.22 0.49 -0.36 1.25 3.58 -1.62 0.06 116.42 120.05 2wya h ASP 436 Ca 0.07 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.54 2wya h ASP 436 Cb 0.48 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2wya h ASP 436 CO 0.02 0.35 0.18 0.11 -2.88 0.00 0.00 179.24 177.02 2wya h LYS 437 N 0.60 0.36 -0.10 0.28 1.57 -0.92 0.29 116.57 118.65 2wya h LYS 437 Ca 0.20 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wya h LYS 437 Cb 0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2wya h LYS 437 CO -0.08 0.24 0.06 1.25 -0.57 0.00 0.00 179.45 180.35 2wya h LEU 438 N 0.37 0.13 -0.13 2.94 5.85 -0.86 -1.66 115.31 121.95 2wya h LEU 438 Ca 0.15 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wya h LEU 438 Cb 0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2wya h LEU 438 CO -0.10 0.16 0.07 0.58 -0.34 0.00 0.00 178.44 178.81 2wya h VAL 439 N 0.09 1.10 -0.84 1.05 2.07 -0.86 -2.62 116.25 116.24 2wya h VAL 439 Ca 0.04 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.36 2wya h VAL 439 Cb 0.06 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2wya h VAL 439 CO -0.01 0.10 0.55 -1.28 0.02 0.00 0.00 177.57 176.94 2wya h SER 440 N 0.11 0.73 0.32 0.57 0.87 -0.86 -1.20 113.55 114.09 2wya h SER 440 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wya h SER 440 Cb 0.09 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2wya h SER 440 CO -0.01 0.43 0.00 -1.54 -0.53 0.00 0.00 176.83 175.18 2wya n SER 441 N -4.52 0.51 -0.32 6.23 3.41 -0.63 -2.20 113.62 116.10 2wya n SER 441 Ca 0.14 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.49 2wya n SER 441 Cb 0.32 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -2.12 0.00 0.24 6.66 -2.24 -0.46 -4.70 114.28 111.66 2wya n THR 442 Ca 0.00 -0.38 0.09 0.00 -2.27 0.00 0.00 64.05 61.49 2wya n THR 442 Cb 0.12 1.16 0.62 0.00 -2.10 0.00 0.00 70.33 70.13 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 1.55 0.00 -0.31 3.42 0.02 -1.37 -2.19 113.55 114.68 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2wya h SER 443 CO 0.00 0.15 0.00 -0.90 -1.14 0.00 0.00 176.83 174.94 2wya n ASP 444 N -4.02 1.89 -0.08 3.07 5.75 -1.26 -4.45 116.55 117.45 2wya n ASP 444 Ca -0.02 -2.06 -0.07 0.00 -0.01 0.00 0.00 54.79 52.63 2wya n ASP 444 Cb 0.23 -0.27 -0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.83 -0.18 -1.21 -2.12 5.85 -1.74 0.01 115.31 117.75 2wya h LEU 445 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2wya h LEU 445 Cb 0.53 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2wya h LEU 445 CO 0.03 -0.06 0.24 -0.65 -0.34 0.00 0.00 178.44 177.66 2wya h PRO 446 N 0.05 0.79 -0.55 5.25 0.11 -1.85 -0.47 132.00 135.33 2wya h PRO 446 Ca 0.14 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.11 2wya h PRO 446 Cb 0.20 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2wya h PRO 446 CO -0.26 0.64 0.21 0.87 -0.21 0.00 0.00 178.00 179.24 2wya h LYS 447 N 0.78 0.84 -0.33 1.05 1.57 -1.67 -0.86 116.57 117.95 2wya h LYS 447 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2wya h LYS 447 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2wya h LYS 447 CO -0.02 0.74 0.20 0.00 -0.57 0.00 0.00 179.45 179.80 2wya h ARG 448 N 0.76 0.44 -0.88 3.15 3.08 -0.59 -2.27 114.38 118.08 2wya h ARG 448 Ca 0.18 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2wya h ARG 448 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2wya h ARG 448 CO -0.01 0.32 0.58 -0.07 -1.07 0.00 0.00 179.97 179.72 2wya h LEU 449 N 0.43 1.00 -1.21 3.04 3.38 -0.90 -2.12 115.31 118.92 2wya h LEU 449 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wya h LEU 449 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2wya h LEU 449 CO -0.02 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2wya h ALA 450 N 1.46 1.00 -0.00 1.53 0.00 -0.65 -2.79 119.26 119.80 2wya h ALA 450 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2wya h ALA 450 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wya h ALA 450 CO -0.08 0.00 -0.09 -1.13 0.00 0.00 0.00 179.25 177.95 2wya n SER 451 N -2.73 0.45 -4.79 0.00 3.41 -0.80 -4.88 113.62 104.29 2wya n SER 451 Ca 0.01 -0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 57.71 2wya n SER 451 Cb 0.26 -0.08 0.08 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.43 2.29 -0.13 4.33 0.52 -1.05 -5.04 118.95 117.44 2wya s ARG 452 Ca 0.30 0.91 -0.11 0.00 -0.52 0.00 0.00 55.73 56.31 2wya s ARG 452 Cb 0.20 -1.92 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 2wya s ARG 452 CO 0.46 -1.54 0.24 0.21 0.02 0.00 0.00 175.30 174.69 2wya s LYS 453 N -5.02 3.97 0.01 3.54 2.20 -0.24 -4.96 119.74 119.23 2wya s LYS 453 Ca 0.60 0.03 -0.27 0.00 -0.36 0.00 0.00 55.97 55.98 2wya s LYS 453 Cb -0.16 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 2wya s LYS 453 CO 0.55 0.47 0.84 0.00 -0.36 0.00 0.00 175.35 176.86 2wya s VAL 455 N 0.54 2.98 0.68 0.00 1.01 -0.09 -4.94 120.40 120.59 2wya s VAL 455 Ca 0.44 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2wya s VAL 455 Cb -0.20 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2wya s VAL 455 CO 0.24 0.58 1.27 -0.94 0.00 0.00 0.00 175.10 176.25 2wya s SER 456 N -0.53 4.38 0.44 3.32 1.04 -1.26 -4.36 113.70 116.72 2wya s SER 456 Ca 0.07 2.55 0.13 0.00 0.48 0.00 0.00 55.95 59.19 2wya s SER 456 Cb -0.12 -2.61 1.02 0.00 0.10 0.00 0.00 66.02 64.42 2wya s SER 456 CO 0.01 -2.15 1.99 -0.65 0.98 0.00 0.00 173.24 173.42 2wya h PRO 457 N 0.21 0.40 0.04 4.02 0.11 -1.92 0.36 132.00 135.21 2wya h PRO 457 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wya h PRO 457 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wya h PRO 457 CO 0.51 0.26 -0.02 0.93 -0.21 0.00 0.00 178.00 179.48 2wya h GLU 458 N 0.41 -0.05 -0.27 1.05 3.07 -1.98 -0.33 114.58 116.48 2wya h GLU 458 Ca 0.26 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 2wya h GLU 458 Cb 0.48 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2wya h GLU 458 CO -0.07 0.05 -0.40 1.49 -1.40 0.00 0.00 179.01 178.68 2wya h GLU 459 N -0.14 0.63 -0.52 2.33 4.81 -1.78 -1.86 114.58 118.05 2wya h GLU 459 Ca -0.01 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2wya h GLU 459 Cb 0.13 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2wya h GLU 459 CO 0.01 0.92 0.27 0.35 -0.73 0.00 0.00 179.01 179.83 2wya h PHE 460 N 0.52 0.50 -0.60 0.92 3.57 -0.87 -0.49 116.94 120.49 2wya h PHE 460 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2wya h PHE 460 Cb 0.92 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 2wya h PHE 460 CO 0.04 0.25 0.26 1.15 -2.23 0.00 0.00 178.31 177.78 2wya h THR 461 N 0.53 1.22 -0.80 4.41 2.02 -0.80 -0.44 112.91 119.05 2wya h THR 461 Ca 0.23 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.78 2wya h THR 461 Cb 0.12 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2wya h THR 461 CO -0.15 0.26 0.52 -0.33 0.37 0.00 0.00 175.52 176.19 2wya h GLU 462 N 0.82 0.99 -0.62 6.66 3.07 -0.93 0.26 114.58 124.84 2wya h GLU 462 Ca 0.20 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 2wya h GLU 462 Cb 0.16 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2wya h GLU 462 CO -0.02 0.66 0.01 0.82 -1.40 0.00 0.00 179.01 179.07 2wya h ILE 463 N 1.02 1.27 -0.68 3.13 2.04 -0.59 -0.11 117.51 123.58 2wya h ILE 463 Ca 0.32 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2wya h ILE 463 Cb -0.02 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2wya h ILE 463 CO -0.10 0.42 0.33 0.24 0.00 0.00 0.00 178.15 179.04 2wya h MET 464 N 0.99 0.98 -0.73 2.37 2.86 -0.66 -1.13 114.93 119.61 2wya h MET 464 Ca 0.18 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 2wya h MET 464 Cb 0.56 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2wya h MET 464 CO 0.03 0.78 0.34 -0.91 1.06 0.00 0.00 176.91 178.21 2wya h ASN 465 N 0.95 0.95 -0.56 1.22 2.35 -0.57 -1.99 115.58 117.92 2wya h ASN 465 Ca 0.24 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2wya h ASN 465 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2wya h ASN 465 CO -0.03 0.81 0.22 -0.61 -1.65 0.00 0.00 177.43 176.17 2wya h GLN 466 N 1.04 0.89 -0.88 0.81 4.15 -0.52 -1.52 115.11 119.08 2wya h GLN 466 Ca 0.25 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.56 2wya h GLN 466 Cb 0.12 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2wya h GLN 466 CO -0.03 0.74 0.56 0.00 -1.93 0.00 0.00 178.83 178.18 2wya h ARG 467 N 0.87 1.06 -0.33 1.69 3.08 -0.47 -0.92 114.38 119.36 2wya h ARG 467 Ca 0.20 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wya h ARG 467 Cb 0.21 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2wya h ARG 467 CO -0.01 0.70 0.11 0.93 -1.07 0.00 0.00 179.97 180.62 2wya h GLU 468 N 1.09 0.51 -0.76 0.04 5.08 -1.07 -2.01 114.58 117.46 2wya h GLU 468 Ca 0.35 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2wya h GLU 468 Cb 0.03 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2wya h GLU 468 CO -0.12 0.53 0.39 1.96 -1.00 0.00 0.00 179.01 180.77 2wya h GLN 469 N 0.38 1.06 -0.01 2.33 4.20 -0.78 -3.12 115.11 119.16 2wya h GLN 469 Ca 0.11 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2wya h GLN 469 Cb 0.24 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wya h GLN 469 CO -0.00 0.80 -0.43 1.19 -0.67 0.00 0.00 178.83 179.71 2wya n PHE 470 N -4.34 0.00 -0.28 2.96 3.72 -0.40 -4.57 117.46 114.56 2wya n PHE 470 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.55 2wya n PHE 470 Cb 0.11 -0.04 0.20 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.89 0.05 -0.02 1.38 5.03 -1.30 -2.03 116.97 121.97 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 0.66 0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.05 2wya h TYR 471 CO 0.00 -0.25 -0.08 0.72 -1.32 0.00 0.00 178.16 177.23 2wya n HIS 472 N -5.33 0.00 -1.84 -3.82 -0.00 -1.26 -5.03 115.22 97.94 2wya n HIS 472 Ca 0.16 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.51 2wya n HIS 472 Cb 0.55 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.58 2wya n HIS 472 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2wya s LYS 473 N -1.54 2.95 0.36 -0.41 1.02 -0.77 -5.05 119.74 116.31 2wya s LYS 473 Ca 0.18 2.07 0.04 0.00 0.02 0.00 0.00 55.97 58.29 2wya s LYS 473 Cb 0.14 -2.07 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 2wya s LYS 473 CO 0.26 -1.29 0.05 0.14 -0.92 0.00 0.00 175.35 173.59 2wya s VAL 474 N -1.40 1.31 -1.19 3.17 -7.23 -1.26 -4.89 120.40 108.90 2wya s VAL 474 Ca 0.76 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 2wya s VAL 474 Cb -0.37 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 2wya s VAL 474 CO 0.41 0.00 0.75 -3.20 -0.31 0.00 0.00 175.10 172.75 2wya n ASN 475 N -0.83 -3.99 -3.64 4.85 2.85 0.60 -4.93 115.26 110.18 2wya n ASN 475 Ca -0.04 -0.93 -0.11 0.00 -0.11 0.00 0.00 54.58 53.40 2wya n ASN 475 Cb 0.67 -3.76 -0.05 0.00 1.24 0.00 0.00 39.78 37.88 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 -3.56 -0.21 -0.22 1.20 -0.12 -0.19 -4.96 117.98 109.92 2wya s PHE 476 Ca 0.31 -0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 57.05 2wya s PHE 476 Cb -0.10 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 2wya s PHE 476 CO 0.84 -0.68 0.01 -1.12 -0.05 0.00 0.00 175.22 174.21 2wya s SER 477 N -2.72 4.78 0.13 1.98 0.01 -1.26 -0.84 113.70 115.78 2wya s SER 477 Ca 0.02 -0.25 -0.34 0.00 1.31 0.00 0.00 55.95 56.69 2wya s SER 477 Cb 0.02 -1.83 -0.14 0.00 0.21 0.00 0.00 66.02 64.28 2wya s SER 477 CO -0.11 0.02 1.58 -2.65 0.41 0.00 0.00 173.24 172.49 2wya n PRO 478 N 4.53 2.03 -1.35 12.44 -0.02 -1.26 -4.95 135.00 146.42 2wya n PRO 478 Ca -0.17 0.73 -0.31 0.00 -2.02 0.00 0.00 63.50 61.73 2wya n PRO 478 Cb 0.51 -2.49 0.08 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.14 2.33 0.00 0.52 0.04 -1.26 -4.87 135.00 132.90 2wya s PRO 479 Ca 0.81 1.24 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2wya s PRO 479 Cb -0.71 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2wya s PRO 479 CO 0.40 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2wya n GLY 480 N -0.99 4.36 3.65 0.56 0.00 -1.26 -4.52 105.19 106.98 2wya n GLY 480 Ca 0.09 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 0.56 1.61 2.15 -1.26 -4.89 116.67 121.86 2wya s ASP 481 Ca 0.00 1.30 0.38 0.00 0.43 0.00 0.00 52.55 54.66 2wya s ASP 481 Cb 0.00 -2.54 1.97 0.00 -0.30 0.00 0.00 42.92 42.05 2wya s ASP 481 CO 0.00 -0.76 2.15 0.71 -0.17 0.00 0.00 175.17 177.10 2wya h THR 482 N 5.56 0.00 0.00 1.71 1.35 -1.97 0.78 112.91 120.34 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 1.07 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 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 0.18 5.36 -0.26 -2.00 -1.88 115.58 116.97 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 -0.06 -1.20 -1.06 0.00 0.00 177.43 175.11 2wya n SER 484 N -2.51 0.59 -4.89 5.81 7.64 0.27 -4.84 113.62 115.69 2wya n SER 484 Ca 0.00 -0.91 -0.32 0.00 1.01 0.00 0.00 58.87 58.66 2wya n SER 484 Cb 0.19 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.24 4.21 0.52 -3.43 1.43 -0.71 -4.71 118.68 113.76 2wya s LEU 485 Ca 0.36 0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 53.98 2wya s LEU 485 Cb 0.21 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.88 2wya s LEU 485 CO 0.41 -0.01 1.33 -0.36 0.23 0.00 0.00 176.35 177.95 2wya s PHE 486 N -1.75 2.40 0.29 0.29 0.08 -1.26 -4.94 117.98 113.10 2wya s PHE 486 Ca 0.44 1.39 -0.29 0.00 0.12 0.00 0.00 56.93 58.59 2wya s PHE 486 Cb -0.12 -3.74 -0.13 0.00 -0.57 0.00 0.00 43.02 38.46 2wya s PHE 486 CO 0.23 -2.67 1.19 -2.30 -0.10 0.00 0.00 175.22 171.58 2wya n PRO 487 N -0.84 1.75 -0.68 0.24 -0.02 -1.26 -2.07 135.00 132.11 2wya n PRO 487 Ca 0.09 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2wya n PRO 487 Cb 0.45 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.25 0.84 3.70 -1.23 0.00 0.05 -4.84 105.19 104.96 2wya n GLY 488 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.34 4.84 0.42 2.61 2.01 -0.88 -4.71 115.64 116.59 2wya s THR 489 Ca 0.00 2.03 -0.23 0.00 0.31 0.00 0.00 61.69 63.81 2wya s THR 489 Cb 0.00 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 2wya s THR 489 CO 0.00 0.11 1.02 0.26 -0.69 0.00 0.00 174.62 175.31 2wya s TRP 490 N 1.38 3.24 0.10 4.92 0.52 -1.26 -0.58 118.94 127.26 2wya s TRP 490 Ca 0.50 1.63 -0.09 0.00 0.02 0.00 0.00 56.10 58.17 2wya s TRP 490 Cb -0.20 -3.04 -0.00 0.00 -1.15 0.00 0.00 33.47 29.08 2wya s TRP 490 CO 0.24 -0.51 0.21 1.52 0.02 0.00 0.00 176.95 178.42 2wya s TYR 491 N -1.83 0.18 -0.37 -1.98 -0.85 0.46 -4.70 117.35 108.26 2wya s TYR 491 Ca 0.60 -0.60 -0.29 0.00 -0.52 0.00 0.00 57.07 56.26 2wya s TYR 491 Cb -0.18 -0.06 0.02 0.00 0.38 0.00 0.00 41.96 42.12 2wya s TYR 491 CO 0.23 -0.57 1.19 -1.17 -1.52 0.00 0.00 175.55 173.70 2wya s LEU 492 N -2.88 3.80 -0.05 -3.49 2.96 0.56 -1.57 118.68 118.02 2wya s LEU 492 Ca 0.07 0.91 -0.02 0.00 -0.22 0.00 0.00 54.13 54.87 2wya s LEU 492 Cb 0.05 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.93 2wya s LEU 492 CO -0.09 -1.10 0.64 -0.08 -1.32 0.00 0.00 176.35 174.40 2wya h GLU 493 N 9.00 0.22 -1.81 1.98 4.81 -1.16 -3.39 114.58 124.23 2wya h GLU 493 Ca -0.23 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2wya h GLU 493 Cb 1.07 0.14 -0.22 0.00 0.63 0.00 0.00 28.75 30.37 2wya h GLU 493 CO 1.07 1.05 0.31 0.50 -0.73 0.00 0.00 179.01 181.20 2wya s ARG 494 N -2.59 0.75 -0.24 1.92 3.52 -1.07 -4.24 118.95 116.99 2wya s ARG 494 Ca -0.13 0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 56.01 2wya s ARG 494 Cb 0.07 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.81 2wya s ARG 494 CO 0.82 -0.15 0.00 0.08 -0.81 0.00 0.00 175.30 175.24 2wya s VAL 495 N -0.22 3.66 0.65 7.11 1.01 -0.02 -0.85 120.40 131.74 2wya s VAL 495 Ca -0.02 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 2wya s VAL 495 Cb -0.03 -2.72 0.14 0.00 0.00 0.00 0.00 36.38 33.77 2wya s VAL 495 CO 0.01 0.34 0.89 -0.90 0.00 0.00 0.00 175.10 175.43 2wya n ASP 496 N 4.83 0.45 0.29 3.32 5.68 -0.26 -0.30 116.55 130.57 2wya n ASP 496 Ca -0.17 -1.56 0.15 0.00 -0.50 0.00 0.00 54.79 52.71 2wya n ASP 496 Cb 0.50 -0.64 0.86 0.00 -1.14 0.00 0.00 41.12 40.70 2wya n ASP 496 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wya h GLU 497 N 0.00 0.00 -0.64 0.11 3.07 -1.91 -0.78 114.58 114.43 2wya h GLU 497 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2wya h GLU 497 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 2wya h GLU 497 CO 0.24 0.05 0.00 1.04 -1.40 0.00 0.00 179.01 178.94 2wya n GLN 498 N -3.70 4.02 -1.38 2.33 3.00 -1.26 -4.80 117.38 115.59 2wya n GLN 498 Ca -0.02 -2.71 -0.13 0.00 -0.01 0.00 0.00 57.00 54.12 2wya n GLN 498 Cb 0.15 -2.02 -0.06 0.00 0.00 0.00 0.00 30.24 28.31 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 0.78 0.00 -2.96 1.08 -0.00 -0.33 -4.99 115.22 108.80 2wya n HIS 499 Ca 0.24 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.02 2wya n HIS 499 Cb 0.97 -2.39 -0.05 0.00 -0.12 0.00 0.00 29.99 28.40 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 -3.07 4.49 -0.15 1.57 0.52 -1.26 -4.80 118.95 116.25 2wya s ARG 500 Ca 0.00 1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 56.15 2wya s ARG 500 Cb 0.00 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2wya s ARG 500 CO 0.00 0.18 0.25 1.03 0.02 0.00 0.00 175.30 176.78 2wya s ARG 501 N 0.31 4.12 -0.10 3.54 0.52 -1.26 -1.10 118.95 124.98 2wya s ARG 501 Ca 0.40 0.02 0.01 0.00 -0.52 0.00 0.00 55.73 55.65 2wya s ARG 501 Cb -0.20 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 2wya s ARG 501 CO 0.22 0.35 -0.13 0.21 0.02 0.00 0.00 175.30 175.98 2wya s LYS 502 N 0.15 3.04 0.13 3.54 2.36 -0.03 -5.01 119.74 123.92 2wya s LYS 502 Ca 0.15 -0.68 0.08 0.00 -2.55 0.00 0.00 55.97 52.97 2wya s LYS 502 Cb -0.13 -2.55 -0.04 0.00 -1.05 0.00 0.00 37.83 34.06 2wya s LYS 502 CO 0.03 0.39 -0.11 0.71 1.55 0.00 0.00 175.35 177.92 2wya s TYR 503 N -0.10 2.67 0.23 4.03 2.02 -1.26 -0.58 117.35 124.36 2wya s TYR 503 Ca -0.01 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2wya s TYR 503 Cb -0.14 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 2wya s TYR 503 CO 0.03 0.45 0.06 0.00 -1.57 0.00 0.00 175.55 174.53 2wya s ALA 504 N -1.39 1.64 -0.06 3.71 0.00 -0.61 -4.84 121.76 120.21 2wya s ALA 504 Ca 0.22 -1.78 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2wya s ALA 504 Cb -0.10 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.87 2wya s ALA 504 CO 0.14 -0.40 -0.14 0.50 0.00 0.00 0.00 175.76 175.86 2wya s ARG 505 N -3.98 1.81 0.15 0.00 3.52 -1.26 -0.41 118.95 118.78 2wya s ARG 505 Ca 0.33 -0.49 -0.31 0.00 -0.13 0.00 0.00 55.73 55.13 2wya s ARG 505 Cb 0.07 -1.50 -0.08 0.00 -1.56 0.00 0.00 34.95 31.88 2wya s ARG 505 CO 0.10 0.09 1.34 0.50 -0.81 0.00 0.00 175.30 176.52 2wya s ARG 506 N 0.49 4.36 0.56 5.12 3.52 0.26 -4.94 118.95 128.31 2wya s ARG 506 Ca -0.12 2.04 -0.20 0.00 -0.13 0.00 0.00 55.73 57.32 2wya s ARG 506 Cb -0.15 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 2wya s ARG 506 CO 0.04 -0.34 0.97 -2.30 -0.81 0.00 0.00 175.30 172.86 2wya n PRO 507 N 3.37 1.02 -0.28 5.12 -0.02 -1.26 -0.77 135.00 142.18 2wya n PRO 507 Ca 0.09 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2wya n PRO 507 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2wya n PRO 507 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81