#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wad s GLN 51 N 0.00 1.02 -0.28 1.43 -0.21 -1.26 -1.95 119.66 118.41 2wad s GLN 51 Ca 0.00 -1.49 -0.25 0.00 0.02 0.00 0.00 55.36 53.64 2wad s GLN 51 Cb 0.00 -0.00 0.11 0.00 1.00 0.00 0.00 33.01 34.12 2wad s GLN 51 CO 0.00 -0.20 0.97 -0.08 -2.12 0.00 0.00 175.29 173.86 2wad s THR 52 N -3.86 0.00 -0.02 -0.19 -1.32 -0.84 -4.95 115.64 104.46 2wad s THR 52 Ca 0.24 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.69 2wad s THR 52 Cb 0.07 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2wad s THR 52 CO 0.03 0.00 0.16 -1.59 -2.21 0.00 0.00 174.62 171.01 2wad s LYS 53 N 0.29 3.37 0.03 7.08 -2.85 -1.26 -0.20 119.74 126.19 2wad s LYS 53 Ca 0.02 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 54.68 2wad s LYS 53 Cb -0.05 -3.06 -0.02 0.00 -2.06 0.00 0.00 37.83 32.64 2wad s LYS 53 CO -0.05 0.68 -0.07 0.14 0.10 0.00 0.00 175.35 176.15 2wad s VAL 54 N -1.27 0.53 0.02 1.79 -7.23 0.09 -4.98 120.40 109.35 2wad s VAL 54 Ca 0.25 -0.78 0.07 0.00 -1.81 0.00 0.00 61.98 59.71 2wad s VAL 54 Cb -0.12 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 2wad s VAL 54 CO 0.16 -0.19 -0.18 0.42 -0.31 0.00 0.00 175.10 175.00 2wad s THR 55 N -0.92 2.76 -0.08 5.32 -4.23 -1.26 -1.43 115.64 115.81 2wad s THR 55 Ca -0.05 -1.11 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2wad s THR 55 Cb -0.07 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.64 2wad s THR 55 CO 0.00 0.40 -0.22 0.28 -0.54 0.00 0.00 174.62 174.54 2wad s THR 56 N -0.87 1.85 0.79 3.99 -1.32 -0.99 -4.82 115.64 114.28 2wad s THR 56 Ca 0.14 -0.92 -0.13 0.00 -1.21 0.00 0.00 61.69 59.56 2wad s THR 56 Cb -0.10 -1.59 0.07 0.00 -1.51 0.00 0.00 72.50 69.36 2wad s THR 56 CO 0.04 0.52 1.18 -0.44 -2.21 0.00 0.00 174.62 173.71 2wad s SER 57 N 0.20 3.82 0.15 8.08 0.01 -1.26 -3.16 113.70 121.53 2wad s SER 57 Ca -0.12 2.28 0.01 0.00 1.31 0.00 0.00 55.95 59.43 2wad s SER 57 Cb -0.16 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.50 2wad s SER 57 CO 0.06 -2.51 0.07 -1.20 0.41 0.00 0.00 173.24 170.07 2wad n SER 58 N -3.23 1.82 -4.73 2.44 7.64 -1.26 -4.83 113.62 111.47 2wad n SER 58 Ca 0.13 -1.56 -0.40 0.00 1.01 0.00 0.00 58.87 58.05 2wad n SER 58 Cb 0.51 0.03 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 2wad n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wad s ALA 59 N -2.23 3.37 0.59 -0.43 0.00 -1.26 -4.62 121.76 117.18 2wad s ALA 59 Ca 0.05 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 2wad s ALA 59 Cb -0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2wad s ALA 59 CO 0.03 0.00 1.13 0.50 0.00 0.00 0.00 175.76 177.43 2wad s ARG 60 N 0.31 3.09 0.85 0.00 3.52 -1.26 -1.35 118.95 124.10 2wad s ARG 60 Ca 0.37 1.56 -0.12 0.00 -0.13 0.00 0.00 55.73 57.42 2wad s ARG 60 Cb -0.19 -1.97 0.10 0.00 -1.56 0.00 0.00 34.95 31.33 2wad s ARG 60 CO 0.20 -1.05 1.10 0.20 -0.81 0.00 0.00 175.30 174.94 2wad s GLY 61 N -2.04 1.61 0.29 8.12 0.00 0.77 -4.55 107.32 111.52 2wad s GLY 61 Ca 0.71 -0.22 0.10 0.00 0.00 0.00 0.00 44.72 45.31 2wad s GLY 61 CO 0.33 0.25 -0.03 -0.54 0.00 0.00 0.00 173.10 173.11 2wad s GLU 62 N -5.11 2.13 -0.18 2.90 2.02 -1.26 -4.95 118.70 114.25 2wad s GLU 62 Ca 0.62 -1.57 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 2wad s GLU 62 Cb -0.16 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 2wad s GLU 62 CO 0.55 0.29 -0.02 0.42 0.02 0.00 0.00 175.26 176.52 2wad s ILE 63 N -2.41 3.89 -0.02 -1.63 -1.09 -1.26 -2.19 121.20 116.49 2wad s ILE 63 Ca 0.32 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.45 2wad s ILE 63 Cb -0.04 -2.74 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 2wad s ILE 63 CO 0.19 0.45 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.87 2wad s TYR 64 N 0.77 1.59 0.43 3.97 2.02 -0.75 -0.65 117.35 124.74 2wad s TYR 64 Ca -0.01 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.27 2wad s TYR 64 Cb -0.14 -1.04 0.11 0.00 -0.40 0.00 0.00 41.96 40.48 2wad s TYR 64 CO 0.02 -0.07 0.37 -0.40 -1.57 0.00 0.00 175.55 173.89 2wad n ASP 65 N 2.83 -1.55 0.23 2.29 3.85 0.23 -0.95 116.55 123.48 2wad n ASP 65 Ca -0.16 -0.67 0.10 0.00 -0.71 0.00 0.00 54.79 53.35 2wad n ASP 65 Cb 0.54 -0.35 0.55 0.00 -1.35 0.00 0.00 41.12 40.51 2wad n ASP 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wad h ALA 66 N -2.29 1.13 -0.00 2.12 0.00 -1.03 -2.64 119.26 116.54 2wad h ALA 66 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2wad h ALA 66 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wad h ALA 66 CO 0.09 0.26 -0.71 -1.13 0.00 0.00 0.00 179.25 177.76 2wad n SER 67 N -3.52 0.88 0.00 0.00 3.41 -1.26 -4.98 113.62 108.14 2wad n SER 67 Ca -0.01 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2wad n SER 67 Cb 0.36 0.60 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 2wad n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wad n GLY 68 N 1.48 0.74 3.76 5.00 0.00 -0.99 -5.09 105.19 110.09 2wad n GLY 68 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2wad n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s LYS 69 N -0.71 4.32 0.49 1.61 -0.14 -1.26 -4.75 119.74 119.30 2wad s LYS 69 Ca 0.00 2.24 -0.21 0.00 -1.36 0.00 0.00 55.97 56.64 2wad s LYS 69 Cb 0.00 -3.09 -0.08 0.00 -1.68 0.00 0.00 37.83 32.98 2wad s LYS 69 CO 0.00 -0.29 1.09 -1.25 -0.76 0.00 0.00 175.35 174.14 2wad s PRO 70 N -1.15 3.70 -0.00 -1.68 0.04 -1.26 -0.60 135.00 134.05 2wad s PRO 70 Ca 0.53 1.53 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2wad s PRO 70 Cb -0.40 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 2wad s PRO 70 CO 0.49 -0.55 0.09 1.28 0.04 0.00 0.00 177.00 178.35 2wad n LEU 71 N -0.87 0.07 0.00 -3.56 4.77 0.18 -4.84 117.00 112.75 2wad n LEU 71 Ca 0.09 -0.29 -0.16 0.00 -0.03 0.00 0.00 56.01 55.62 2wad n LEU 71 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2wad n LEU 71 CO 0.42 0.02 -0.11 1.33 -1.33 0.00 0.00 177.39 177.73 2wad n VAL 72 N -1.28 0.00 -3.65 4.08 0.24 -1.25 -2.19 118.33 114.28 2wad n VAL 72 Ca 0.00 -1.39 -0.02 0.00 -2.04 0.00 0.00 64.34 60.89 2wad n VAL 72 Cb 0.05 0.44 -0.05 0.00 -1.47 0.00 0.00 33.84 32.82 2wad n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2wad s GLU 73 N -2.95 0.56 -0.68 7.34 2.56 0.55 -4.68 118.70 121.40 2wad s GLU 73 Ca 0.09 1.41 -0.19 0.00 0.00 0.00 0.00 54.97 56.27 2wad s GLU 73 Cb 0.00 0.79 0.11 0.00 2.00 0.00 0.00 34.13 37.04 2wad s GLU 73 CO 0.06 -0.20 0.85 -0.80 -0.56 0.00 0.00 175.26 174.61 2wad s ASN 74 N 2.82 6.30 -0.01 -1.70 0.01 -1.26 0.19 114.94 121.28 2wad s ASN 74 Ca -0.06 -1.51 -0.28 0.00 -0.71 0.00 0.00 52.86 50.31 2wad s ASN 74 Cb -0.12 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2wad s ASN 74 CO -0.18 -1.16 0.89 0.28 -1.51 0.00 0.00 177.10 175.41 2wad s THR 75 N 2.88 4.89 -0.15 1.60 -1.32 -0.46 -4.89 115.64 118.19 2wad s THR 75 Ca 0.18 1.86 -0.20 0.00 -1.21 0.00 0.00 61.69 62.32 2wad s THR 75 Cb -0.18 -4.23 -0.03 0.00 -1.51 0.00 0.00 72.50 66.55 2wad s THR 75 CO 0.03 0.21 0.57 -0.22 -2.21 0.00 0.00 174.62 173.00 2wad s LEU 76 N 0.83 4.22 0.33 9.08 2.96 -1.26 -1.76 118.68 133.07 2wad s LEU 76 Ca 0.47 0.86 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 2wad s LEU 76 Cb -0.20 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2wad s LEU 76 CO 0.25 -0.14 0.16 -1.59 -1.32 0.00 0.00 176.35 173.71 2wad s LYS 77 N 1.25 1.68 0.02 1.98 -2.85 -0.53 -5.01 119.74 116.28 2wad s LYS 77 Ca 0.28 -1.97 0.06 0.00 -1.00 0.00 0.00 55.97 53.34 2wad s LYS 77 Cb -0.16 -0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.41 2wad s LYS 77 CO 0.11 -0.47 -0.15 -0.65 0.10 0.00 0.00 175.35 174.30 2wad s GLN 78 N -3.76 2.25 0.23 1.78 -0.21 -1.26 -0.83 119.66 117.86 2wad s GLN 78 Ca 0.34 -0.88 -0.01 0.00 0.02 0.00 0.00 55.36 54.83 2wad s GLN 78 Cb 0.04 -2.29 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 2wad s GLN 78 CO 0.18 0.57 0.20 0.14 -2.12 0.00 0.00 175.29 174.25 2wad s VAL 79 N -0.91 0.00 -0.12 1.09 -7.23 0.99 -4.68 120.40 109.53 2wad s VAL 79 Ca 0.15 -1.93 -0.21 0.00 -1.81 0.00 0.00 61.98 58.18 2wad s VAL 79 Cb -0.11 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 2wad s VAL 79 CO 0.05 0.00 0.59 -0.69 -0.31 0.00 0.00 175.10 174.74 2wad s VAL 80 N -4.01 5.10 0.05 1.32 1.01 -1.26 -1.24 120.40 121.36 2wad s VAL 80 Ca 0.37 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.60 2wad s VAL 80 Cb 0.05 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2wad s VAL 80 CO 0.14 0.25 -0.17 -0.44 0.00 0.00 0.00 175.10 174.88 2wad s SER 81 N 0.84 3.91 -0.05 3.32 0.01 0.11 -0.07 113.70 121.76 2wad s SER 81 Ca 0.30 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.21 2wad s SER 81 Cb -0.16 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 2wad s SER 81 CO 0.13 0.25 -0.21 0.12 0.41 0.00 0.00 173.24 173.93 2wad s PHE 82 N -0.96 2.11 -0.33 2.43 5.36 -0.06 -1.41 117.98 125.11 2wad s PHE 82 Ca 0.15 -0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 55.45 2wad s PHE 82 Cb -0.11 -1.40 0.06 0.00 -0.34 0.00 0.00 43.02 41.23 2wad s PHE 82 CO 0.06 -0.21 0.07 0.99 -1.46 0.00 0.00 175.22 174.67 2wad s THR 83 N -0.02 3.27 0.51 0.12 2.01 0.08 -1.50 115.64 120.11 2wad s THR 83 Ca -0.05 -1.43 -0.19 0.00 0.31 0.00 0.00 61.69 60.33 2wad s THR 83 Cb -0.13 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 2wad s THR 83 CO 0.03 -0.23 1.05 -0.60 -0.69 0.00 0.00 174.62 174.18 2wad s ARG 84 N 1.28 3.69 -0.02 4.92 3.52 -1.02 -4.62 118.95 126.69 2wad s ARG 84 Ca -0.02 1.34 0.08 0.00 -0.13 0.00 0.00 55.73 57.01 2wad s ARG 84 Cb -0.20 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2wad s ARG 84 CO -0.00 -0.52 -0.26 0.45 -0.81 0.00 0.00 175.30 174.15 2wad s SER 85 N -2.12 3.03 0.27 -2.12 0.15 -1.26 -1.60 113.70 110.05 2wad s SER 85 Ca 0.67 -0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.01 2wad s SER 85 Cb -0.17 -0.34 0.90 0.00 -1.71 0.00 0.00 66.02 64.70 2wad s SER 85 CO 0.23 0.32 1.48 -0.46 1.20 0.00 0.00 173.24 176.01 2wad n ASN 86 N 2.43 0.43 -0.01 5.45 6.94 -1.26 -2.27 115.26 126.97 2wad n ASN 86 Ca -0.16 0.67 0.09 0.00 -0.02 0.00 0.00 54.58 55.16 2wad n ASN 86 Cb 0.51 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 37.10 2wad n ASN 86 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2wad n LYS 87 N -2.09 0.79 -1.64 -3.83 5.02 -1.26 -4.89 118.16 110.25 2wad n LYS 87 Ca -0.01 -0.11 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 2wad n LYS 87 Cb 0.09 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 2wad n LYS 87 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2wad n MET 88 N -1.90 2.54 -1.75 1.97 2.81 -0.96 -5.01 117.12 114.83 2wad n MET 88 Ca -0.01 0.88 -0.29 0.00 -1.81 0.00 0.00 57.70 56.46 2wad n MET 88 Cb 0.40 -3.05 0.16 0.00 -0.71 0.00 0.00 33.22 30.01 2wad n MET 88 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2wad s THR 89 N 5.65 1.95 0.24 2.03 -4.23 -1.26 -4.93 115.64 115.09 2wad s THR 89 Ca 0.93 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.40 2wad s THR 89 Cb -0.42 -2.89 0.11 0.00 1.34 0.00 0.00 72.50 70.64 2wad s THR 89 CO 0.41 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.23 2wad h ALA 90 N -1.59 1.05 -0.60 3.99 0.00 -1.95 -2.67 119.26 117.49 2wad h ALA 90 Ca -0.46 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 2wad h ALA 90 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2wad h ALA 90 CO 0.49 0.60 0.16 1.15 0.00 0.00 0.00 179.25 181.65 2wad h THR 91 N 0.83 1.24 -0.64 0.00 2.02 -1.94 -1.71 112.91 112.70 2wad h THR 91 Ca 0.16 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.51 2wad h THR 91 Cb 0.44 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2wad h THR 91 CO 0.02 0.32 0.43 0.44 0.37 0.00 0.00 175.52 177.10 2wad h ASP 92 N 0.89 0.72 0.12 4.18 3.32 -1.86 -1.84 116.42 121.96 2wad h ASP 92 Ca 0.20 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 57.00 2wad h ASP 92 Cb 0.30 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.68 2wad h ASP 92 CO -0.00 0.52 -0.92 -0.07 -1.72 0.00 0.00 179.24 177.05 2wad h LEU 93 N 0.85 0.73 -0.80 1.55 3.38 -1.10 -2.45 115.31 117.48 2wad h LEU 93 Ca 0.24 -0.55 0.04 0.00 0.09 0.00 0.00 57.88 57.70 2wad h LEU 93 Cb -0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 2wad h LEU 93 CO -0.06 1.34 0.50 0.11 0.09 0.00 0.00 178.44 180.43 2wad h LYS 94 N 0.35 0.94 -0.56 1.13 1.57 -1.20 0.81 116.57 119.61 2wad h LYS 94 Ca -0.08 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2wad h LYS 94 Cb 1.55 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 2wad h LYS 94 CO 0.17 0.62 0.17 0.93 -0.57 0.00 0.00 179.45 180.77 2wad h GLU 95 N 0.96 0.84 -0.15 3.15 4.39 -1.15 -2.22 114.58 120.40 2wad h GLU 95 Ca 0.33 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 2wad h GLU 95 Cb 0.05 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2wad h GLU 95 CO -0.13 0.73 -0.23 0.82 -1.16 0.00 0.00 179.01 179.04 2wad h ILE 96 N 0.81 1.36 -0.71 3.13 2.04 -1.24 -2.57 117.51 120.32 2wad h ILE 96 Ca 0.18 -1.47 0.15 0.00 1.00 0.00 0.00 64.86 64.73 2wad h ILE 96 Cb 0.25 1.95 -0.13 0.00 -0.74 0.00 0.00 36.82 38.15 2wad h ILE 96 CO -0.01 0.44 -0.09 0.00 0.00 0.00 0.00 178.15 178.49 2wad h ALA 97 N 0.57 0.60 0.00 1.87 0.00 -0.61 -0.76 119.26 120.93 2wad h ALA 97 Ca 0.01 0.25 -0.18 0.00 0.00 0.00 0.00 54.91 55.00 2wad h ALA 97 Cb 0.81 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2wad h ALA 97 CO 0.05 -0.42 -0.83 1.57 0.00 0.00 0.00 179.25 179.62 2wad h LYS 98 N 0.05 0.00 -0.88 0.00 2.10 -1.43 -1.18 116.57 115.23 2wad h LYS 98 Ca 0.37 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 59.04 2wad h LYS 98 Cb 0.60 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 2wad h LYS 98 CO -0.69 0.83 0.58 0.87 -2.00 0.00 0.00 179.45 179.04 2wad h LYS 99 N 0.00 1.10 0.01 0.07 1.79 -1.16 -3.13 116.57 115.25 2wad h LYS 99 Ca -0.01 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.21 2wad h LYS 99 Cb 1.60 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.98 2wad h LYS 99 CO 0.11 0.73 -0.87 1.25 -1.08 0.00 0.00 179.45 179.59 2wad h LEU 100 N 1.14 0.12 0.00 2.94 5.85 -0.96 -3.09 115.31 121.31 2wad h LEU 100 Ca 0.34 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2wad h LEU 100 Cb -0.04 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2wad h LEU 100 CO -0.10 0.93 0.00 -0.11 -0.34 0.00 0.00 178.44 178.81 2wad n LEU 101 N -3.59 0.00 0.22 2.25 7.94 -0.46 -1.68 117.00 121.67 2wad n LEU 101 Ca -0.02 0.49 0.08 0.00 -1.11 0.00 0.00 56.01 55.45 2wad n LEU 101 Cb 0.81 -0.49 0.47 0.00 0.53 0.00 0.00 43.42 44.73 2wad n LEU 101 CO 0.46 -0.34 0.79 0.74 -1.11 0.00 0.00 177.39 177.93 2wad h THR 102 N 0.00 0.76 -0.00 1.96 2.02 -1.63 -3.32 112.91 112.69 2wad h THR 102 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 2wad h THR 102 Cb 0.15 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2wad h THR 102 CO 0.00 0.27 -0.08 -1.22 0.37 0.00 0.00 175.52 174.86 2wad n TYR 103 N -3.58 0.00 -4.24 3.16 4.01 -0.68 -5.04 117.16 110.80 2wad n TYR 103 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 2wad n TYR 103 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 2wad n TYR 103 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wad s VAL 104 N -0.84 0.61 -0.10 -0.72 -7.23 -1.18 -4.97 120.40 105.98 2wad s VAL 104 Ca 0.03 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2wad s VAL 104 Cb 0.03 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2wad s VAL 104 CO 0.09 -0.41 -0.09 -0.44 -0.31 0.00 0.00 175.10 173.94 2wad s SER 105 N -3.18 4.45 -0.29 4.85 0.01 -1.26 -4.83 113.70 113.45 2wad s SER 105 Ca 0.26 -0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.39 2wad s SER 105 Cb 0.06 -1.37 0.08 0.00 0.21 0.00 0.00 66.02 65.01 2wad s SER 105 CO 0.05 0.27 0.02 -0.63 0.41 0.00 0.00 173.24 173.36 2wad s ILE 106 N -0.25 1.64 -0.09 1.44 -1.09 -1.26 -1.87 121.20 119.71 2wad s ILE 106 Ca 0.03 -1.68 -0.09 0.00 -2.23 0.00 0.00 60.65 56.68 2wad s ILE 106 Cb -0.13 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 2wad s ILE 106 CO 0.03 -0.43 -0.17 -1.54 -1.23 0.00 0.00 174.94 171.60 2wad n SER 107 N 4.56 1.04 -4.34 3.58 3.41 -1.26 -4.80 113.62 115.81 2wad n SER 107 Ca -0.04 0.23 -0.46 0.00 -0.26 0.00 0.00 58.87 58.34 2wad n SER 107 Cb 0.43 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 2wad n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wad s SER 108 N -4.98 6.97 -0.37 4.04 0.01 -1.26 -5.01 113.70 113.10 2wad s SER 108 Ca -0.14 -3.00 -0.21 0.00 1.31 0.00 0.00 55.95 53.91 2wad s SER 108 Cb 0.02 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.04 2wad s SER 108 CO 0.21 -0.49 0.65 -2.16 0.41 0.00 0.00 173.24 171.86 2wad s PRO 109 N -0.23 3.60 -0.91 12.44 0.05 -1.26 -5.00 135.00 143.68 2wad s PRO 109 Ca 0.23 -0.02 -0.01 0.00 0.05 0.00 0.00 61.00 61.25 2wad s PRO 109 Cb -0.10 -3.84 0.25 0.00 0.05 0.00 0.00 34.50 30.87 2wad s PRO 109 CO -0.08 -0.80 0.98 0.09 0.05 0.00 0.00 177.00 177.23 2wad n ASN 110 N 6.12 4.77 -4.68 6.66 4.13 -1.26 -5.07 115.26 125.93 2wad n ASN 110 Ca -0.01 -3.25 -0.42 0.00 1.68 0.00 0.00 54.58 52.57 2wad n ASN 110 Cb 0.48 -1.06 -0.03 0.00 -1.54 0.00 0.00 39.78 37.64 2wad n ASN 110 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wad s LEU 111 N -1.93 4.29 0.70 3.41 1.43 -1.26 -5.04 118.68 120.28 2wad s LEU 111 Ca 0.31 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 2wad s LEU 111 Cb -0.00 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.68 2wad s LEU 111 CO -0.05 -0.73 1.06 0.42 0.23 0.00 0.00 176.35 177.29 2wad s THR 112 N 2.79 3.91 0.35 5.49 -4.23 -1.26 -4.87 115.64 117.81 2wad s THR 112 Ca 0.62 0.64 0.09 0.00 -1.18 0.00 0.00 61.69 61.86 2wad s THR 112 Cb -0.29 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.32 2wad s THR 112 CO 0.24 -0.79 1.81 -0.33 -0.54 0.00 0.00 174.62 175.01 2wad h GLU 113 N -0.68 0.20 -0.83 3.99 3.07 -1.98 -0.21 114.58 118.13 2wad h GLU 113 Ca -0.44 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 2wad h GLU 113 Cb 1.21 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.07 2wad h GLU 113 CO 0.56 0.47 0.51 -0.09 -1.40 0.00 0.00 179.01 179.07 2wad h ARG 114 N 0.18 1.12 -0.38 2.33 9.65 -1.98 -0.33 114.38 124.96 2wad h ARG 114 Ca 0.03 -0.09 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 2wad h ARG 114 Cb 0.60 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2wad h ARG 114 CO 0.04 0.78 -0.26 1.96 2.80 0.00 0.00 179.97 185.29 2wad h GLN 115 N 1.13 0.85 -0.10 0.20 4.20 -1.70 -0.37 115.11 119.33 2wad h GLN 115 Ca 0.30 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2wad h GLN 115 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2wad h GLN 115 CO -0.06 1.05 0.02 -0.07 -0.67 0.00 0.00 178.83 179.09 2wad h LEU 116 N 0.65 0.12 0.06 1.46 3.38 -0.92 -1.88 115.31 118.18 2wad h LEU 116 Ca 0.08 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2wad h LEU 116 Cb 0.84 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2wad h LEU 116 CO 0.07 0.13 -0.52 0.00 0.09 0.00 0.00 178.44 178.21 2wad h ALA 117 N 1.89 -0.02 -0.59 1.53 0.00 -0.83 -2.27 119.26 118.97 2wad h ALA 117 Ca 0.03 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.47 2wad h ALA 117 Cb 0.07 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 2wad h ALA 117 CO -0.00 0.25 -0.05 -0.44 0.00 0.00 0.00 179.25 179.01 2wad h ASP 118 N -0.47 -0.36 -0.25 0.00 3.32 -1.00 -0.16 116.42 117.50 2wad h ASP 118 Ca -0.08 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 2wad h ASP 118 Cb 1.35 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 2wad h ASP 118 CO 0.10 -0.14 0.02 0.22 -1.72 0.00 0.00 179.24 177.72 2wad h TYR 119 N 0.07 0.47 -0.67 4.55 3.20 -1.40 -1.41 116.97 121.78 2wad h TYR 119 Ca 0.30 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.15 2wad h TYR 119 Cb 0.48 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 2wad h TYR 119 CO -0.40 0.58 0.39 -0.92 -1.64 0.00 0.00 178.16 176.16 2wad h TYR 120 N 0.23 0.71 0.00 -3.82 3.20 -1.18 -2.02 116.97 114.09 2wad h TYR 120 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2wad h TYR 120 Cb 0.38 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2wad h TYR 120 CO 0.03 0.36 0.00 1.28 -1.64 0.00 0.00 178.16 178.19 2wad n LEU 121 N -4.76 0.22 -0.28 2.82 4.77 -0.09 -3.74 117.00 115.94 2wad n LEU 121 Ca 0.08 0.53 0.06 0.00 -0.03 0.00 0.00 56.01 56.65 2wad n LEU 121 Cb 0.15 -0.47 0.21 0.00 -2.33 0.00 0.00 43.42 40.98 2wad n LEU 121 CO 0.30 -0.15 1.08 0.00 -1.33 0.00 0.00 177.39 177.29 2wad h ALA 122 N 2.71 1.21 -2.23 -1.18 0.00 -0.47 -3.37 119.26 115.93 2wad h ALA 122 Ca 0.00 0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.44 2wad h ALA 122 Cb 0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wad h ALA 122 CO 0.00 -0.10 1.06 0.34 0.00 0.00 0.00 179.25 180.56 2wad s ASP 123 N -5.43 6.69 0.29 0.00 -1.08 -1.25 -4.39 116.67 111.51 2wad s ASP 123 Ca -0.12 2.11 0.03 0.00 -0.52 0.00 0.00 52.55 54.05 2wad s ASP 123 Cb 0.21 -2.53 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 2wad s ASP 123 CO 0.78 -0.93 1.83 -0.65 0.52 0.00 0.00 175.17 176.72 2wad h PRO 124 N 9.43 0.90 -0.24 4.34 0.11 -1.94 -0.78 132.00 143.82 2wad h PRO 124 Ca -0.37 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 2wad h PRO 124 Cb 1.16 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2wad h PRO 124 CO 0.96 0.60 -0.45 1.49 -0.21 0.00 0.00 178.00 180.38 2wad h GLU 125 N 0.93 0.73 -0.50 1.05 4.81 -1.92 -2.50 114.58 117.18 2wad h GLU 125 Ca 0.51 -0.47 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2wad h GLU 125 Cb 0.59 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2wad h GLU 125 CO -0.28 1.09 0.10 0.82 -0.73 0.00 0.00 179.01 180.00 2wad h ILE 126 N 0.46 1.25 -0.16 2.32 1.08 -1.75 -1.58 117.51 119.13 2wad h ILE 126 Ca 0.01 -0.91 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2wad h ILE 126 Cb 1.06 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 2wad h ILE 126 CO 0.10 0.32 0.08 0.22 -0.69 0.00 0.00 178.15 178.18 2wad h TYR 127 N 0.70 0.15 -0.91 1.37 3.20 -1.16 -0.84 116.97 119.48 2wad h TYR 127 Ca 0.15 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2wad h TYR 127 Cb 0.38 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2wad h TYR 127 CO 0.03 0.08 0.50 -0.22 -1.64 0.00 0.00 178.16 176.92 2wad h LYS 128 N 0.17 1.27 -0.25 1.82 3.64 -1.40 -2.25 116.57 119.57 2wad h LYS 128 Ca 0.07 -0.15 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 2wad h LYS 128 Cb 0.01 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2wad h LYS 128 CO -0.05 0.92 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.42 2wad h LYS 129 N 1.28 0.59 0.00 1.90 3.64 -0.97 0.59 116.57 123.60 2wad h LYS 129 Ca 0.32 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2wad h LYS 129 Cb 0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2wad h LYS 129 CO -0.05 0.90 -0.61 1.79 -2.27 0.00 0.00 179.45 179.21 2wad h THR 130 N 0.49 1.18 -0.09 1.00 1.35 -1.05 -2.43 112.91 113.35 2wad h THR 130 Ca 0.04 -2.32 -0.17 0.00 -0.55 0.00 0.00 66.41 63.41 2wad h THR 130 Cb 0.93 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 2wad h THR 130 CO 0.08 0.60 -0.68 1.62 -0.25 0.00 0.00 175.52 176.89 2wad h VAL 131 N 0.00 1.37 0.00 6.82 3.04 -1.32 -3.04 116.25 123.13 2wad h VAL 131 Ca -0.01 -2.07 -0.02 0.00 -1.01 0.00 0.00 66.70 63.60 2wad h VAL 131 Cb 1.30 2.05 -0.00 0.00 -2.01 0.00 0.00 31.29 32.63 2wad h VAL 131 CO 0.08 0.62 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.86 2wad h GLU 132 N 0.28 0.00 -0.15 4.17 4.39 -0.57 -3.06 114.58 119.63 2wad h GLU 132 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2wad h GLU 132 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2wad h GLU 132 CO 0.12 0.07 0.00 0.00 -1.16 0.00 0.00 179.01 178.04 2wad n ALA 133 N -2.33 2.44 -1.82 3.43 0.00 -0.94 -4.95 120.51 116.34 2wad n ALA 133 Ca -0.02 -0.79 -0.33 0.00 0.00 0.00 0.00 53.44 52.29 2wad n ALA 133 Cb 0.17 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 2wad n ALA 133 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wad s LEU 134 N -1.75 3.94 -0.06 0.00 1.43 -1.16 -5.00 118.68 116.08 2wad s LEU 134 Ca 0.31 1.69 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 2wad s LEU 134 Cb 0.20 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.79 2wad s LEU 134 CO 0.29 -0.36 0.58 -0.65 0.23 0.00 0.00 176.35 176.44 2wad h PRO 135 N 1.92 -0.27 -3.87 1.29 0.11 -1.92 -3.44 132.00 125.83 2wad h PRO 135 Ca -0.49 0.02 -0.76 0.00 0.11 0.00 0.00 66.00 64.88 2wad h PRO 135 Cb 1.18 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.07 2wad h PRO 135 CO 0.61 0.01 -0.11 -1.12 -0.21 0.00 0.00 178.00 177.18 2wad s SER 136 N -5.34 6.22 0.28 -2.05 0.01 -1.26 -5.21 113.70 106.36 2wad s SER 136 Ca -0.08 -2.52 0.07 0.00 1.31 0.00 0.00 55.95 54.73 2wad s SER 136 Cb 0.00 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 64.09 2wad s SER 136 CO 0.29 -0.58 0.21 -1.83 0.41 0.00 0.00 173.24 171.75 2wad s GLU 137 N 0.45 2.80 0.00 12.44 -1.05 -1.26 -5.03 118.70 127.04 2wad s GLU 137 Ca 0.14 -1.18 0.14 0.00 -0.15 0.00 0.00 54.97 53.93 2wad s GLU 137 Cb -0.17 -2.49 0.01 0.00 -0.44 0.00 0.00 34.13 31.04 2wad s GLU 137 CO -0.05 0.28 0.81 -1.13 0.95 0.00 0.00 175.26 176.12 2wad n SER 150 N -1.23 1.59 -0.04 0.83 3.41 -1.26 -5.13 113.62 111.79 2wad n SER 150 Ca -0.05 -1.29 -0.16 0.00 -0.26 0.00 0.00 58.87 57.10 2wad n SER 150 Cb 0.59 0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 2wad n SER 150 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wad h GLU 151 N 1.75 0.71 0.00 4.33 5.08 -2.06 -2.44 114.58 121.94 2wad h GLU 151 Ca 0.00 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 2wad h GLU 151 Cb 0.50 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2wad h GLU 151 CO 0.00 1.15 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.99 2wad h LEU 152 N 0.42 0.00 0.00 1.33 3.38 -2.05 -3.29 115.31 115.10 2wad h LEU 152 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 2wad h LEU 152 Cb 1.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2wad h LEU 152 CO 0.13 0.10 -1.47 0.22 0.09 0.00 0.00 178.44 177.51 2wad h TYR 153 N 0.00 0.00 0.00 1.13 3.20 -1.90 -3.17 116.97 116.23 2wad h TYR 153 Ca -0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2wad h TYR 153 Cb 0.36 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2wad h TYR 153 CO 0.00 0.94 -0.62 -2.95 -1.64 0.00 0.00 178.16 173.89 2wad h ASN 154 N 0.00 0.00 0.84 -2.11 7.08 -1.51 -2.55 115.58 117.33 2wad h ASN 154 Ca -0.20 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.02 2wad h ASN 154 Cb 1.89 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.13 2wad h ASN 154 CO 0.09 0.62 -0.04 -0.46 -2.08 0.00 0.00 177.43 175.55 2wad n ASN 155 N -3.47 0.06 0.06 6.14 0.23 -1.25 -0.37 115.26 116.66 2wad n ASN 155 Ca 0.00 0.26 -0.21 0.00 -0.53 0.00 0.00 54.58 54.10 2wad n ASN 155 Cb 0.70 -0.38 -0.15 0.00 -2.08 0.00 0.00 39.78 37.87 2wad n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wad h ALA 156 N 3.12 -0.09 -0.88 -2.53 0.00 -1.49 -2.58 119.26 114.82 2wad h ALA 156 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.17 2wad h ALA 156 Cb 0.45 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2wad h ALA 156 CO 0.00 0.45 0.58 -0.39 0.00 0.00 0.00 179.25 179.90 2wad h VAL 157 N -0.29 1.23 0.23 0.00 -1.51 -1.42 -3.04 116.25 111.44 2wad h VAL 157 Ca -0.17 -0.42 0.01 0.00 -1.23 0.00 0.00 66.70 64.89 2wad h VAL 157 Cb 1.73 -0.07 -0.04 0.00 -2.13 0.00 0.00 31.29 30.79 2wad h VAL 157 CO 0.17 0.22 -0.39 -0.78 -1.23 0.00 0.00 177.57 175.56 2wad h ASP 158 N 1.20 -1.11 0.03 4.19 1.82 -0.75 -2.04 116.42 119.74 2wad h ASP 158 Ca 0.32 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2wad h ASP 158 Cb -0.13 0.40 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2wad h ASP 158 CO -0.07 -0.50 0.00 0.28 -1.61 0.00 0.00 179.24 177.35 2wad h SER 159 N -0.69 0.00 1.53 2.28 0.02 -1.39 -2.73 113.55 112.57 2wad h SER 159 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2wad h SER 159 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2wad h SER 159 CO -0.16 0.00 -0.48 1.62 -1.14 0.00 0.00 176.83 176.67 2wad h VAL 160 N 0.00 0.22 -3.40 2.27 3.04 -1.26 -3.46 116.25 113.66 2wad h VAL 160 Ca 0.00 -1.34 -0.55 0.00 -1.01 0.00 0.00 66.70 63.80 2wad h VAL 160 Cb 0.01 1.97 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 2wad h VAL 160 CO 0.00 0.13 0.22 -2.16 -1.01 0.00 0.00 177.57 174.75 2wad s PRO 161 N -3.17 4.51 -0.83 4.17 0.04 -1.03 -4.96 135.00 133.72 2wad s PRO 161 Ca 0.04 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 2wad s PRO 161 Cb 0.07 -3.44 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2wad s PRO 161 CO 0.73 0.06 1.30 -0.08 0.04 0.00 0.00 177.00 179.05 2wad s THR 162 N 0.72 3.87 -0.62 1.26 -1.32 -1.26 -4.87 115.64 113.41 2wad s THR 162 Ca 0.44 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2wad s THR 162 Cb -0.20 -4.94 0.00 0.00 -1.51 0.00 0.00 72.50 65.85 2wad s THR 162 CO 0.23 -1.84 0.63 -1.20 -2.21 0.00 0.00 174.62 170.23 2wad n SER 163 N 8.98 0.00 -2.20 8.08 7.64 -1.26 -3.38 113.62 131.48 2wad n SER 163 Ca 0.13 0.19 -0.03 0.00 1.01 0.00 0.00 58.87 60.17 2wad n SER 163 Cb 0.49 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 2wad n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wad n GLN 164 N -1.13 0.56 -1.46 1.43 10.64 -1.26 -4.87 117.38 121.29 2wad n GLN 164 Ca 0.00 -0.24 -0.31 0.00 -1.83 0.00 0.00 57.00 54.62 2wad n GLN 164 Cb 0.19 -1.58 0.07 0.00 -0.86 0.00 0.00 30.24 28.06 2wad n GLN 164 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2wad s LEU 165 N 0.00 3.10 -0.67 2.61 1.43 -1.22 -5.00 118.68 118.93 2wad s LEU 165 Ca 0.16 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 2wad s LEU 165 Cb 0.08 -4.51 0.17 0.00 0.03 0.00 0.00 46.19 41.96 2wad s LEU 165 CO 0.00 -1.67 0.58 0.21 0.23 0.00 0.00 176.35 175.70 2wad s ASN 166 N -3.63 6.18 -0.23 2.29 2.47 -1.26 -5.03 114.94 115.72 2wad s ASN 166 Ca 0.59 -2.40 -0.03 0.00 0.42 0.00 0.00 52.86 51.45 2wad s ASN 166 Cb -0.15 -2.11 0.01 0.00 -1.45 0.00 0.00 41.25 37.55 2wad s ASN 166 CO 0.55 -0.62 -0.06 -0.31 -3.72 0.00 0.00 177.10 172.95 2wad s TYR 167 N 0.63 2.99 1.17 0.43 2.02 -1.26 -5.11 117.35 118.22 2wad s TYR 167 Ca 0.12 -1.25 -0.13 0.00 -0.37 0.00 0.00 57.07 55.45 2wad s TYR 167 Cb -0.19 -2.08 0.27 0.00 -0.40 0.00 0.00 41.96 39.57 2wad s TYR 167 CO -0.04 -0.65 0.93 0.25 -1.57 0.00 0.00 175.55 174.48 2wad n THR 168 N 4.74 0.00 -0.17 -0.71 -2.24 -1.26 -4.74 114.28 109.89 2wad n THR 168 Ca -0.18 -0.43 -0.06 0.00 -2.27 0.00 0.00 64.05 61.12 2wad n THR 168 Cb 0.49 -0.96 0.11 0.00 -2.10 0.00 0.00 70.33 67.87 2wad n THR 168 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2wad h GLU 169 N -2.63 0.95 -0.42 -0.78 4.39 -1.99 -1.79 114.58 112.31 2wad h GLU 169 Ca -0.61 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 58.84 2wad h GLU 169 Cb 1.33 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 2wad h GLU 169 CO 0.48 0.90 0.25 -0.44 -1.16 0.00 0.00 179.01 179.04 2wad h ASP 170 N 0.89 0.51 -0.51 1.42 5.19 -2.01 -2.85 116.42 119.06 2wad h ASP 170 Ca 0.18 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2wad h ASP 170 Cb 0.43 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 2wad h ASP 170 CO 0.01 0.42 0.26 -0.08 -3.12 0.00 0.00 179.24 176.73 2wad h GLU 171 N 0.56 0.76 -0.11 3.56 4.81 -1.81 -2.53 114.58 119.82 2wad h GLU 171 Ca 0.15 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2wad h GLU 171 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2wad h GLU 171 CO -0.03 0.59 -0.17 0.87 -0.73 0.00 0.00 179.01 179.54 2wad h LYS 172 N 0.76 0.17 -0.11 1.92 1.57 -1.11 0.12 116.57 119.89 2wad h LYS 172 Ca 0.19 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2wad h LYS 172 Cb 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2wad h LYS 172 CO -0.03 0.35 -0.40 0.87 -0.57 0.00 0.00 179.45 179.67 2wad h LYS 173 N 0.16 0.47 -0.83 3.15 1.57 -1.27 -1.18 116.57 118.64 2wad h LYS 173 Ca 0.03 -0.36 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2wad h LYS 173 Cb 0.40 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2wad h LYS 173 CO 0.03 0.98 0.54 1.49 -0.57 0.00 0.00 179.45 181.92 2wad h GLU 174 N 0.06 0.95 -0.22 3.15 4.81 -1.31 -1.56 114.58 120.46 2wad h GLU 174 Ca -0.02 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.02 2wad h GLU 174 Cb 1.03 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2wad h GLU 174 CO 0.09 0.63 -0.42 0.82 -0.73 0.00 0.00 179.01 179.39 2wad h ILE 175 N 0.97 1.30 -0.24 2.32 2.04 -0.86 -1.48 117.51 121.56 2wad h ILE 175 Ca 0.34 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2wad h ILE 175 Cb 0.13 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2wad h ILE 175 CO -0.11 0.50 0.14 0.22 0.00 0.00 0.00 178.15 178.89 2wad h TYR 176 N 0.44 0.32 -0.40 1.37 3.20 -0.76 -1.33 116.97 119.80 2wad h TYR 176 Ca 0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2wad h TYR 176 Cb 0.92 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2wad h TYR 176 CO 0.04 0.26 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.59 2wad h LEU 177 N 0.28 0.83 -0.88 2.82 3.38 -1.24 -2.34 115.31 118.16 2wad h LEU 177 Ca 0.08 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.72 2wad h LEU 177 Cb 0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2wad h LEU 177 CO -0.01 1.04 0.56 0.15 0.09 0.00 0.00 178.44 180.26 2wad h PHE 178 N 0.63 1.04 -0.51 1.13 3.57 -1.26 -2.15 116.94 119.38 2wad h PHE 178 Ca 0.09 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wad h PHE 178 Cb 0.71 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2wad h PHE 178 CO 0.05 0.55 0.30 0.77 -2.23 0.00 0.00 178.31 177.75 2wad h SER 179 N 1.04 0.47 -0.78 0.41 0.02 -0.89 -0.85 113.55 112.97 2wad h SER 179 Ca 0.38 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.28 2wad h SER 179 Cb 0.12 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2wad h SER 179 CO -0.16 0.33 0.28 1.56 -1.14 0.00 0.00 176.83 177.70 2wad h GLN 180 N 0.59 1.19 -0.29 3.45 1.08 -0.92 -2.53 115.11 117.66 2wad h GLN 180 Ca 0.21 -0.24 -0.10 0.00 -1.45 0.00 0.00 58.65 57.08 2wad h GLN 180 Cb 0.05 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2wad h GLN 180 CO -0.11 0.98 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.49 2wad h LEU 181 N 1.15 0.68 -2.00 1.46 3.38 -1.23 -3.13 115.31 115.61 2wad h LEU 181 Ca 0.26 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2wad h LEU 181 Cb 0.26 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wad h LEU 181 CO -0.01 0.97 -0.10 -1.13 0.09 0.00 0.00 178.44 178.25 2wad h ASN 182 N 0.40 0.00 0.80 -0.43 -1.24 -0.90 -2.43 115.58 111.78 2wad h ASN 182 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2wad h ASN 182 Cb 0.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.79 2wad h ASN 182 CO 0.05 0.10 0.00 0.00 -1.29 0.00 0.00 177.43 176.29 2wad n ALA 183 N -2.32 2.32 -2.66 1.57 0.00 -0.98 -4.80 120.51 113.65 2wad n ALA 183 Ca -0.02 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 2wad n ALA 183 Cb 0.20 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2wad n ALA 183 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wad s VAL 184 N -2.84 5.06 0.73 0.00 1.01 -0.92 -4.99 120.40 118.45 2wad s VAL 184 Ca 0.19 1.23 -0.11 0.00 0.00 0.00 0.00 61.98 63.28 2wad s VAL 184 Cb 0.19 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2wad s VAL 184 CO 0.48 0.32 1.07 -0.83 0.00 0.00 0.00 175.10 176.14 2wad s GLY 185 N 0.49 1.65 0.09 4.51 0.00 -1.26 -4.85 107.32 107.94 2wad s GLY 185 Ca 0.32 -0.10 -0.34 0.00 0.00 0.00 0.00 44.72 44.60 2wad s GLY 185 CO 0.15 0.26 1.67 0.70 0.00 0.00 0.00 173.10 175.87 2wad n ASN 186 N -3.18 3.18 0.00 1.64 3.02 -1.26 -0.95 115.26 117.71 2wad n ASN 186 Ca 0.07 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2wad n ASN 186 Cb 0.55 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 2wad n ASN 186 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2wad n PHE 187 N 4.37 0.00 -1.42 3.10 3.01 -0.63 -4.98 117.46 120.92 2wad n PHE 187 Ca 0.19 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.36 2wad n PHE 187 Cb 0.29 -0.23 0.16 0.00 -0.01 0.00 0.00 39.48 39.69 2wad n PHE 187 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wad s ALA 188 N -2.15 1.45 -0.14 4.37 0.00 -0.13 -4.79 121.76 120.37 2wad s ALA 188 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 2wad s ALA 188 Cb 0.00 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 20.16 2wad s ALA 188 CO 0.00 -2.60 0.05 0.99 0.00 0.00 0.00 175.76 174.20 2wad s THR 189 N -3.22 0.22 0.33 0.00 2.01 -1.26 -2.44 115.64 111.28 2wad s THR 189 Ca 0.66 -0.17 0.10 0.00 0.31 0.00 0.00 61.69 62.58 2wad s THR 189 Cb -0.14 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.63 2wad s THR 189 CO 0.55 -0.09 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.49 2wad s GLY 190 N 2.01 2.06 0.06 4.40 0.00 -0.56 -4.93 107.32 110.35 2wad s GLY 190 Ca 0.02 -1.98 -0.21 0.00 0.00 0.00 0.00 44.72 42.55 2wad s GLY 190 CO -0.07 -1.95 0.62 -1.59 0.00 0.00 0.00 173.10 170.10 2wad s THR 191 N -2.54 4.74 -0.73 0.90 2.01 -1.26 -0.88 115.64 117.88 2wad s THR 191 Ca 0.33 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.53 2wad s THR 191 Cb -0.00 -3.96 0.19 0.00 0.01 0.00 0.00 72.50 68.74 2wad s THR 191 CO 0.17 0.49 0.64 -0.63 -0.69 0.00 0.00 174.62 174.61 2wad s ILE 192 N -0.75 5.13 0.17 1.82 -1.09 0.91 -4.93 121.20 122.45 2wad s ILE 192 Ca 0.31 -2.38 -0.33 0.00 -2.23 0.00 0.00 60.65 56.02 2wad s ILE 192 Cb -0.20 -4.22 -0.13 0.00 -1.58 0.00 0.00 42.46 36.34 2wad s ILE 192 CO 0.20 -0.96 1.65 0.00 -1.23 0.00 0.00 174.94 174.60 2wad n ALA 193 N 4.12 1.89 -2.71 9.38 0.00 -1.26 -4.45 120.51 127.48 2wad n ALA 193 Ca 0.07 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 2wad n ALA 193 Cb 0.44 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 2wad n ALA 193 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wad s THR 194 N 1.20 0.00 0.71 0.00 -4.23 -1.26 -5.01 115.64 107.05 2wad s THR 194 Ca 0.78 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 59.43 2wad s THR 194 Cb -0.61 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 70.66 2wad s THR 194 CO 0.36 0.00 1.18 -1.81 -0.54 0.00 0.00 174.62 173.81 2wad s ASP 195 N -3.28 4.43 0.04 3.99 1.01 -0.78 -4.90 116.67 117.18 2wad s ASP 195 Ca 0.34 2.26 -0.38 0.00 0.71 0.00 0.00 52.55 55.48 2wad s ASP 195 Cb 0.00 -2.58 -0.18 0.00 1.01 0.00 0.00 42.92 41.18 2wad s ASP 195 CO 0.22 -2.10 1.27 -2.65 0.21 0.00 0.00 175.17 172.13 2wad n PRO 196 N -2.64 0.79 -3.31 8.23 -0.02 -1.26 -4.77 135.00 132.01 2wad n PRO 196 Ca 0.13 0.28 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 2wad n PRO 196 Cb 0.51 -1.88 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 2wad n PRO 196 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wad s LEU 197 N 0.46 4.21 0.88 2.45 1.43 -1.26 -4.99 118.68 121.86 2wad s LEU 197 Ca 0.87 0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.56 2wad s LEU 197 Cb -1.06 -2.66 0.12 0.00 0.03 0.00 0.00 46.19 42.62 2wad s LEU 197 CO 0.51 -0.07 1.15 0.54 0.23 0.00 0.00 176.35 178.71 2wad s ASN 198 N 0.85 3.79 0.61 2.29 2.20 -1.26 -4.86 114.94 118.57 2wad s ASN 198 Ca 0.24 0.89 0.39 0.00 -0.94 0.00 0.00 52.86 53.44 2wad s ASN 198 Cb -0.15 -1.43 1.93 0.00 -2.00 0.00 0.00 41.25 39.60 2wad s ASN 198 CO 0.09 -2.37 2.19 -2.24 -2.94 0.00 0.00 177.10 171.84 2wad h ASP 199 N -1.37 0.00 0.05 3.54 3.04 -1.99 -1.46 116.42 118.23 2wad h ASP 199 Ca -0.49 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.12 2wad h ASP 199 Cb 1.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 2wad h ASP 199 CO 0.63 0.01 -0.91 -1.28 -2.04 0.00 0.00 179.24 175.64 2wad h SER 200 N 0.00 0.17 -0.94 4.15 0.87 -1.99 -2.63 113.55 113.18 2wad h SER 200 Ca -0.00 -0.80 0.12 0.00 -1.23 0.00 0.00 61.79 59.88 2wad h SER 200 Cb 0.24 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.07 2wad h SER 200 CO 0.00 1.39 0.60 1.56 -0.53 0.00 0.00 176.83 179.84 2wad h GLN 201 N -0.71 0.85 -0.58 2.24 4.20 -1.91 -1.45 115.11 117.75 2wad h GLN 201 Ca -0.22 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.42 2wad h GLN 201 Cb 1.40 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.96 2wad h GLN 201 CO -0.03 0.56 0.26 0.28 -0.67 0.00 0.00 178.83 179.23 2wad h VAL 202 N 0.88 1.22 -0.58 -0.54 2.07 -1.34 -2.43 116.25 115.51 2wad h VAL 202 Ca 0.46 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 2wad h VAL 202 Cb 0.53 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2wad h VAL 202 CO -0.22 0.25 0.04 0.00 0.02 0.00 0.00 177.57 177.67 2wad h ALA 203 N 1.10 0.98 -0.03 1.67 0.00 -0.91 -1.64 119.26 120.42 2wad h ALA 203 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wad h ALA 203 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wad h ALA 203 CO -0.02 0.63 0.01 0.28 0.00 0.00 0.00 179.25 180.15 2wad h VAL 204 N 0.91 0.99 -0.10 0.00 2.07 -1.30 -2.06 116.25 116.76 2wad h VAL 204 Ca 0.17 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2wad h VAL 204 Cb 0.47 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2wad h VAL 204 CO 0.02 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.07 2wad h ILE 205 N 0.02 1.01 -0.67 4.57 2.04 -1.18 -1.87 117.51 121.43 2wad h ILE 205 Ca 0.01 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2wad h ILE 205 Cb 0.01 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 36.87 2wad h ILE 205 CO -0.02 0.02 0.14 0.00 0.00 0.00 0.00 178.15 178.29 2wad h ALA 206 N 1.05 0.82 0.00 1.87 0.00 -1.30 0.15 119.26 121.84 2wad h ALA 206 Ca 0.04 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2wad h ALA 206 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wad h ALA 206 CO -0.02 -0.33 -0.31 0.66 0.00 0.00 0.00 179.25 179.25 2wad h SER 207 N 0.25 0.00 -0.18 0.00 4.64 -0.61 -3.10 113.55 114.55 2wad h SER 207 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2wad h SER 207 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2wad h SER 207 CO -0.47 0.31 0.00 2.30 -0.87 0.00 0.00 176.83 178.10 2wad n ILE 208 N -3.60 0.48 0.26 0.95 -6.64 -0.86 -4.74 119.36 105.21 2wad n ILE 208 Ca -0.01 -0.74 0.16 0.00 -1.77 0.00 0.00 62.75 60.39 2wad n ILE 208 Cb 0.44 0.88 0.88 0.00 -1.44 0.00 0.00 39.64 40.40 2wad n ILE 208 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 2wad h SER 209 N 2.20 0.00 0.25 7.28 4.64 -0.64 -0.58 113.55 126.70 2wad h SER 209 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wad h SER 209 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2wad h SER 209 CO 0.00 0.00 0.00 0.07 -0.87 0.00 0.00 176.83 176.03 2wad h LYS 210 N 0.00 0.00 -0.00 4.77 2.10 -1.85 -1.95 116.57 119.64 2wad h LYS 210 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2wad h LYS 210 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 2wad h LYS 210 CO -0.00 0.00 -0.03 0.39 -2.00 0.00 0.00 179.45 177.81 2wad n GLU 211 N -2.54 0.32 -3.24 0.07 1.02 -0.23 -4.10 120.64 111.94 2wad n GLU 211 Ca -0.01 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 2wad n GLU 211 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 2wad n GLU 211 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wad n MET 212 N -1.32 1.76 -1.59 3.49 2.81 -0.73 -5.09 117.12 116.45 2wad n MET 212 Ca 0.12 -4.00 -0.63 0.00 -1.81 0.00 0.00 57.70 51.38 2wad n MET 212 Cb 0.28 -1.80 -0.10 0.00 -0.71 0.00 0.00 33.22 30.89 2wad n MET 212 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 2wad n PRO 213 N 0.82 0.30 0.00 0.03 -0.02 -1.26 -0.55 135.00 134.32 2wad n PRO 213 Ca 0.26 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2wad n PRO 213 Cb 0.48 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2wad n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wad n GLY 214 N 5.15 1.08 3.78 -1.23 0.00 -1.26 -4.99 105.19 107.72 2wad n GLY 214 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 2wad n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wad s ILE 215 N -1.12 5.28 0.20 -0.61 -1.09 0.29 -0.74 121.20 123.41 2wad s ILE 215 Ca 0.00 0.55 -0.17 0.00 -2.23 0.00 0.00 60.65 58.80 2wad s ILE 215 Cb 0.00 -3.61 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 2wad s ILE 215 CO 0.00 0.48 0.53 -0.94 -1.23 0.00 0.00 174.94 173.77 2wad s SER 216 N -0.16 -0.25 0.05 3.58 1.04 -0.50 -4.75 113.70 112.71 2wad s SER 216 Ca 0.18 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 2wad s SER 216 Cb -0.14 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 2wad s SER 216 CO 0.06 -1.07 0.36 -0.63 0.98 0.00 0.00 173.24 172.94 2wad s ILE 217 N -3.89 5.16 0.34 -1.02 -1.09 -1.26 0.05 121.20 119.49 2wad s ILE 217 Ca 0.10 0.39 -0.13 0.00 -2.23 0.00 0.00 60.65 58.78 2wad s ILE 217 Cb -0.01 -3.62 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2wad s ILE 217 CO -0.02 0.33 0.66 -0.94 -1.23 0.00 0.00 174.94 173.75 2wad s SER 218 N -1.69 0.19 -0.11 3.58 1.04 -0.38 -4.88 113.70 111.45 2wad s SER 218 Ca 0.31 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 2wad s SER 218 Cb -0.14 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2wad s SER 218 CO 0.17 -1.47 0.11 0.42 0.98 0.00 0.00 173.24 173.45 2wad s THR 219 N -2.95 5.23 0.14 2.02 -4.23 -1.26 -0.01 115.64 114.58 2wad s THR 219 Ca 0.20 0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2wad s THR 219 Cb -0.03 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2wad s THR 219 CO 0.13 0.61 0.10 -0.24 -0.54 0.00 0.00 174.62 174.68 2wad n SER 220 N 2.00 -0.01 -4.05 3.99 2.88 -0.01 -4.92 113.62 113.50 2wad n SER 220 Ca -0.20 -1.85 -0.21 0.00 -1.33 0.00 0.00 58.87 55.28 2wad n SER 220 Cb 0.55 0.60 -0.15 0.00 -0.75 0.00 0.00 64.21 64.45 2wad n SER 220 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wad s TRP 221 N -2.45 1.12 -0.20 0.66 0.51 -1.26 -1.45 118.94 115.87 2wad s TRP 221 Ca 0.14 -0.27 -0.07 0.00 -2.12 0.00 0.00 56.10 53.78 2wad s TRP 221 Cb 0.01 -0.77 -0.03 0.00 -0.81 0.00 0.00 33.47 31.87 2wad s TRP 221 CO 0.10 -0.09 0.04 -0.51 -0.51 0.00 0.00 176.95 175.99 2wad s ASP 222 N 0.02 5.31 -0.15 2.95 1.01 -0.72 -4.98 116.67 120.11 2wad s ASP 222 Ca -0.01 -0.05 -0.26 0.00 0.71 0.00 0.00 52.55 52.94 2wad s ASP 222 Cb -0.08 -1.91 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 2wad s ASP 222 CO 0.00 0.11 0.86 -0.60 0.21 0.00 0.00 175.17 175.75 2wad s ARG 223 N 0.75 4.33 -0.06 8.23 6.06 -1.26 -1.35 118.95 135.64 2wad s ARG 223 Ca 0.02 1.09 0.02 0.00 -2.50 0.00 0.00 55.73 54.36 2wad s ARG 223 Cb -0.14 -3.56 0.02 0.00 0.06 0.00 0.00 34.95 31.33 2wad s ARG 223 CO 0.02 -0.31 -0.10 -1.59 -2.50 0.00 0.00 175.30 170.82 2wad s LYS 224 N 2.08 1.48 -0.40 5.12 -2.85 0.50 -4.96 119.74 120.70 2wad s LYS 224 Ca 0.40 -0.33 -0.20 0.00 -1.00 0.00 0.00 55.97 54.84 2wad s LYS 224 Cb -0.17 -1.26 0.01 0.00 -2.06 0.00 0.00 37.83 34.36 2wad s LYS 224 CO 0.13 -0.00 0.62 0.42 0.10 0.00 0.00 175.35 176.62 2wad s ILE 225 N 0.73 4.88 1.12 3.79 1.01 -1.26 0.21 121.20 131.67 2wad s ILE 225 Ca -0.14 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 2wad s ILE 225 Cb -0.15 -4.13 0.24 0.00 0.01 0.00 0.00 42.46 38.42 2wad s ILE 225 CO 0.03 -0.46 0.87 0.18 0.00 0.00 0.00 174.94 175.56 2wad n LEU 226 N 6.12 -0.81 -4.48 2.97 4.77 -0.93 -4.91 117.00 119.73 2wad n LEU 226 Ca -0.02 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 2wad n LEU 226 Cb 0.48 -1.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 2wad n LEU 226 CO 0.51 -3.12 0.84 -0.70 -1.33 0.00 0.00 177.39 173.59 2wad s GLU 227 N -4.27 3.14 0.24 3.23 2.12 -1.26 -4.81 118.70 117.09 2wad s GLU 227 Ca 0.66 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2wad s GLU 227 Cb -0.23 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 29.91 2wad s GLU 227 CO 0.64 -1.87 0.13 0.95 -0.54 0.00 0.00 175.26 174.58 2wad s THR 228 N 4.40 0.21 -1.58 -1.70 -4.23 -1.26 -5.04 115.64 106.43 2wad s THR 228 Ca 0.25 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.00 2wad s THR 228 Cb -0.15 -2.54 0.48 0.00 1.34 0.00 0.00 72.50 71.63 2wad s THR 228 CO 0.12 0.00 1.77 -1.54 -0.54 0.00 0.00 174.62 174.43 2wad n SER 229 N -0.50 0.00 -0.79 3.99 3.41 -1.26 -2.35 113.62 116.12 2wad n SER 229 Ca 0.02 -0.24 0.07 0.00 -0.26 0.00 0.00 58.87 58.46 2wad n SER 229 Cb 0.66 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.58 2wad n SER 229 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wad n LEU 230 N -1.21 3.07 0.22 1.04 4.77 -1.26 -4.71 117.00 118.93 2wad n LEU 230 Ca 0.13 -1.89 0.08 0.00 -0.03 0.00 0.00 56.01 54.30 2wad n LEU 230 Cb 0.16 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.51 2wad n LEU 230 CO 0.17 0.75 0.84 0.77 -1.33 0.00 0.00 177.39 178.59 2wad h SER 231 N 2.60 0.00 0.82 -1.43 4.64 -1.78 -2.02 113.55 116.38 2wad h SER 231 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 2wad h SER 231 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 2wad h SER 231 CO 0.00 0.24 -0.70 0.77 -0.87 0.00 0.00 176.83 176.27 2wad h SER 232 N 0.00 0.00 1.20 4.97 4.64 -1.84 -3.31 113.55 119.21 2wad h SER 232 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2wad h SER 232 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2wad h SER 232 CO 0.03 0.70 -0.84 0.40 -0.87 0.00 0.00 176.83 176.25 2wad h ILE 233 N 0.00 0.44 -0.47 0.95 2.04 -1.73 -3.29 117.51 115.45 2wad h ILE 233 Ca -0.01 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.18 2wad h ILE 233 Cb 1.30 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.37 2wad h ILE 233 CO 0.09 0.25 0.22 0.58 0.00 0.00 0.00 178.15 179.29 2wad h VAL 234 N 0.00 0.93 0.00 1.67 2.07 -1.50 -3.07 116.25 116.35 2wad h VAL 234 Ca -0.06 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2wad h VAL 234 Cb 1.32 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2wad h VAL 234 CO 0.04 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.32 2wad n GLY 235 N -1.24 -1.86 3.33 2.17 0.00 -1.24 -1.01 105.19 105.33 2wad n GLY 235 Ca 0.04 -1.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 2wad n GLY 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 236 N -4.00 2.84 -0.07 1.61 1.04 -1.24 -4.85 113.70 109.04 2wad s SER 236 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2wad s SER 236 Cb 0.00 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2wad s SER 236 CO 0.00 0.09 -0.04 -0.69 0.98 0.00 0.00 173.24 173.58 2wad s VAL 237 N -1.23 3.91 0.87 5.02 1.01 -1.26 -1.24 120.40 127.48 2wad s VAL 237 Ca 0.10 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 2wad s VAL 237 Cb -0.10 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.72 2wad s VAL 237 CO 0.05 0.59 0.77 -1.54 0.00 0.00 0.00 175.10 174.97 2wad n SER 238 N 2.14 -0.67 -4.89 3.32 3.41 0.89 -4.92 113.62 112.90 2wad n SER 238 Ca -0.18 0.46 -0.29 0.00 -0.26 0.00 0.00 58.87 58.60 2wad n SER 238 Cb 0.53 -1.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.17 2wad n SER 238 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wad s SER 239 N -2.05 5.73 0.35 4.04 0.01 -1.26 -4.64 113.70 115.87 2wad s SER 239 Ca 0.65 1.11 0.16 0.00 1.31 0.00 0.00 55.95 59.18 2wad s SER 239 Cb -0.26 -2.04 0.58 0.00 0.21 0.00 0.00 66.02 64.51 2wad s SER 239 CO 0.60 -1.12 1.70 -0.33 0.41 0.00 0.00 173.24 174.50 2wad h GLU 240 N -0.42 0.00 0.02 12.44 5.08 -1.90 -2.02 114.58 127.77 2wad h GLU 240 Ca -0.45 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 2wad h GLU 240 Cb 1.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.49 2wad h GLU 240 CO 0.63 0.44 -0.25 0.87 -1.00 0.00 0.00 179.01 179.69 2wad h LYS 241 N 0.00 0.14 0.00 2.33 1.57 -1.93 -3.29 116.57 115.39 2wad h LYS 241 Ca -0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2wad h LYS 241 Cb 0.96 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 2wad h LYS 241 CO 0.06 0.96 -0.04 0.00 -0.57 0.00 0.00 179.45 179.87 2wad h ALA 242 N 0.18 1.04 -0.37 3.86 0.00 -1.95 -3.48 119.26 118.54 2wad h ALA 242 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wad h ALA 242 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wad h ALA 242 CO 0.05 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2wad n GLY 243 N -0.27 1.92 3.77 0.00 0.00 -0.76 -4.37 105.19 105.48 2wad n GLY 243 Ca -0.00 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 2wad n GLY 243 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wad s LEU 244 N 0.00 4.23 0.30 0.99 1.02 0.09 -4.44 118.68 120.87 2wad s LEU 244 Ca 0.00 2.91 -0.30 0.00 0.02 0.00 0.00 54.13 56.76 2wad s LEU 244 Cb 0.00 -3.81 -0.11 0.00 0.02 0.00 0.00 46.19 42.29 2wad s LEU 244 CO 0.00 -0.96 1.55 -2.84 0.02 0.00 0.00 176.35 174.12 2wad s PRO 245 N -2.23 4.15 0.00 1.29 0.02 -1.26 -4.90 135.00 132.06 2wad s PRO 245 Ca 0.56 2.53 0.15 0.00 0.02 0.00 0.00 61.00 64.26 2wad s PRO 245 Cb -0.44 -3.03 0.64 0.00 0.02 0.00 0.00 34.50 31.70 2wad s PRO 245 CO 0.58 -0.58 1.45 0.00 -0.33 0.00 0.00 177.00 178.11 2wad n ALA 246 N 1.97 2.53 0.42 -1.55 0.00 -1.26 -2.89 120.51 119.73 2wad n ALA 246 Ca 0.07 -0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.30 2wad n ALA 246 Cb 0.38 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 2wad n ALA 246 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wad n GLU 247 N -0.13 0.39 -1.17 0.00 4.71 -1.26 -4.39 120.64 118.78 2wad n GLU 247 Ca 0.12 -0.04 0.04 0.00 -0.01 0.00 0.00 57.16 57.27 2wad n GLU 247 Cb 0.18 -1.59 0.04 0.00 -1.01 0.00 0.00 31.44 29.07 2wad n GLU 247 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wad n GLU 248 N -2.07 0.23 0.27 3.49 1.02 -1.17 -4.88 120.64 117.54 2wad n GLU 248 Ca 0.00 -2.00 0.13 0.00 -0.02 0.00 0.00 57.16 55.27 2wad n GLU 248 Cb 0.47 -0.33 0.78 0.00 -0.02 0.00 0.00 31.44 32.35 2wad n GLU 248 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wad h ALA 249 N 0.80 1.40 0.07 0.62 0.00 -1.73 -2.64 119.26 117.76 2wad h ALA 249 Ca -0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wad h ALA 249 Cb 1.68 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2wad h ALA 249 CO 0.07 0.10 -0.03 0.93 0.00 0.00 0.00 179.25 180.31 2wad h GLU 250 N 0.00 -0.09 0.00 0.00 4.39 -1.91 -3.01 114.58 113.97 2wad h GLU 250 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2wad h GLU 250 Cb 0.21 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2wad h GLU 250 CO 0.01 0.35 0.00 0.66 -1.16 0.00 0.00 179.01 178.87 2wad h SER 251 N -0.54 0.00 0.00 1.42 4.64 -1.86 -1.90 113.55 115.30 2wad h SER 251 Ca -0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 2wad h SER 251 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2wad h SER 251 CO 0.01 0.00 -1.21 -1.22 -0.87 0.00 0.00 176.83 173.54 2wad n TYR 252 N -2.41 0.58 0.05 4.77 4.01 -1.16 -3.54 117.16 119.47 2wad n TYR 252 Ca 0.01 0.25 0.22 0.00 -0.16 0.00 0.00 57.90 58.22 2wad n TYR 252 Cb 0.19 -0.85 0.71 0.00 -0.31 0.00 0.00 39.34 39.08 2wad n TYR 252 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2wad h LEU 253 N -1.00 0.00 -0.11 7.72 3.38 -1.48 0.30 115.31 124.12 2wad h LEU 253 Ca -0.23 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 2wad h LEU 253 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2wad h LEU 253 CO -0.14 0.00 -0.26 0.50 0.09 0.00 0.00 178.44 178.63 2wad h LYS 254 N 0.00 0.37 0.00 1.13 3.64 -1.50 -3.04 116.57 117.18 2wad h LYS 254 Ca 0.24 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wad h LYS 254 Cb 1.34 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2wad h LYS 254 CO -0.00 0.86 -0.02 0.87 -2.27 0.00 0.00 179.45 178.89 2wad h LYS 255 N -0.06 0.00 0.00 1.90 1.57 -0.49 -3.45 116.57 116.04 2wad h LYS 255 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wad h LYS 255 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2wad h LYS 255 CO 0.06 0.02 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 2wad n GLY 256 N -1.31 0.15 3.72 3.86 0.00 -0.58 -5.12 105.19 105.91 2wad n GLY 256 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2wad n GLY 256 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wad s TYR 257 N -0.98 2.15 0.33 1.61 2.02 -0.78 -4.94 117.35 116.76 2wad s TYR 257 Ca 0.00 1.60 0.07 0.00 -0.37 0.00 0.00 57.07 58.37 2wad s TYR 257 Cb 0.00 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.37 2wad s TYR 257 CO 0.00 -2.31 0.35 0.45 -1.57 0.00 0.00 175.55 172.47 2wad s SER 258 N -3.10 5.54 0.39 2.29 0.15 -1.26 -4.29 113.70 113.42 2wad s SER 258 Ca 0.64 -0.38 0.21 0.00 0.70 0.00 0.00 55.95 57.12 2wad s SER 258 Cb -0.20 -1.08 0.52 0.00 -1.71 0.00 0.00 66.02 63.55 2wad s SER 258 CO 0.57 -0.37 1.65 0.25 1.20 0.00 0.00 173.24 176.55 2wad h LEU 259 N 1.14 0.00 -0.82 3.45 5.85 -1.97 -3.09 115.31 119.87 2wad h LEU 259 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2wad h LEU 259 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2wad h LEU 259 CO 0.57 0.27 -0.46 -0.46 -0.34 0.00 0.00 178.44 178.02 2wad n ASN 260 N -3.26 1.74 -4.20 1.25 6.94 -1.26 -0.73 115.26 115.74 2wad n ASN 260 Ca 0.02 -1.34 -0.35 0.00 -0.02 0.00 0.00 54.58 52.89 2wad n ASN 260 Cb 0.55 0.43 0.07 0.00 -2.36 0.00 0.00 39.78 38.48 2wad n ASN 260 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2wad n ASP 261 N -0.25 -4.18 -4.16 0.53 8.00 -1.17 -4.45 116.55 110.87 2wad n ASP 261 Ca 0.10 0.27 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 2wad n ASP 261 Cb 0.43 -0.96 -0.15 0.00 -0.02 0.00 0.00 41.12 40.42 2wad n ASP 261 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wad s ARG 262 N -2.70 2.85 0.33 -1.24 0.52 -1.26 -3.03 118.95 114.42 2wad s ARG 262 Ca 0.48 -0.95 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 2wad s ARG 262 Cb -0.20 -2.83 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 2wad s ARG 262 CO 0.75 -0.34 0.04 0.14 0.02 0.00 0.00 175.30 175.91 2wad s VAL 263 N 1.29 2.79 0.15 3.52 -7.23 -1.26 -4.79 120.40 114.86 2wad s VAL 263 Ca 0.01 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 2wad s VAL 263 Cb -0.16 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 33.87 2wad s VAL 263 CO -0.07 -0.21 1.31 -0.83 -0.31 0.00 0.00 175.10 174.98 2wad s GLY 264 N -3.74 2.31 0.00 2.32 0.00 -1.26 -0.08 107.32 106.88 2wad s GLY 264 Ca 0.35 1.06 0.03 0.00 0.00 0.00 0.00 44.72 46.16 2wad s GLY 264 CO 0.20 2.13 0.23 -1.30 0.00 0.00 0.00 173.10 174.36 2wad n THR 265 N 3.24 0.00 -3.67 0.90 -2.24 -0.37 -4.34 114.28 107.80 2wad n THR 265 Ca 0.08 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 2wad n THR 265 Cb 0.43 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.60 2wad n THR 265 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wad s SER 266 N -1.10 -0.39 0.77 3.42 1.04 -1.23 -4.90 113.70 111.30 2wad s SER 266 Ca 0.02 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2wad s SER 266 Cb 0.02 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2wad s SER 266 CO 0.11 -0.46 0.00 -1.22 0.98 0.00 0.00 173.24 172.65 2wad n TYR 267 N 1.38 0.00 -0.21 5.02 4.02 -1.26 -2.48 117.16 123.63 2wad n TYR 267 Ca -0.20 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.62 2wad n TYR 267 Cb 0.56 0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.92 2wad n TYR 267 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2wad h LEU 268 N 0.00 0.77 -0.73 7.72 3.38 -1.39 0.21 115.31 125.28 2wad h LEU 268 Ca 0.00 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.92 2wad h LEU 268 Cb 0.00 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.48 2wad h LEU 268 CO 0.00 0.70 0.38 -0.33 0.09 0.00 0.00 178.44 179.28 2wad h GLU 269 N 0.80 0.63 0.64 1.13 4.39 -1.01 0.32 114.58 121.47 2wad h GLU 269 Ca 0.20 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 2wad h GLU 269 Cb 0.14 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2wad h GLU 269 CO -0.02 0.41 -0.31 -0.22 -1.16 0.00 0.00 179.01 177.71 2wad h LYS 270 N 0.64 -0.83 -0.70 2.33 3.64 -1.04 -1.79 116.57 118.82 2wad h LYS 270 Ca 0.35 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.93 2wad h LYS 270 Cb 0.35 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.23 2wad h LYS 270 CO -0.26 -0.55 -0.20 0.37 -2.27 0.00 0.00 179.45 176.54 2wad h GLN 271 N -1.10 -0.02 -0.62 1.90 5.75 -0.37 -0.64 115.11 120.01 2wad h GLN 271 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2wad h GLN 271 Cb 0.66 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.22 2wad h GLN 271 CO 0.14 -0.02 0.00 0.66 -2.65 0.00 0.00 178.83 176.97 2wad n TYR 272 N -5.47 1.07 -0.26 3.99 4.02 0.08 -4.61 117.16 115.97 2wad n TYR 272 Ca 0.09 -0.46 -0.05 0.00 -0.01 0.00 0.00 57.90 57.47 2wad n TYR 272 Cb 0.37 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.52 2wad n TYR 272 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2wad n GLU 273 N 1.05 -0.24 0.17 -0.72 4.07 -0.25 -0.17 120.64 124.56 2wad n GLU 273 Ca 0.21 0.96 0.17 0.00 -0.06 0.00 0.00 57.16 58.44 2wad n GLU 273 Cb 0.66 -1.42 0.79 0.00 -0.06 0.00 0.00 31.44 31.42 2wad n GLU 273 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2wad h GLU 274 N 0.00 0.00 0.12 5.31 4.81 -1.82 0.16 114.58 123.16 2wad h GLU 274 Ca 0.14 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.05 2wad h GLU 274 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2wad h GLU 274 CO -0.60 0.00 -1.68 0.28 -0.73 0.00 0.00 179.01 176.28 2wad h VAL 275 N 0.00 0.84 -0.15 0.32 2.07 -0.92 -3.39 116.25 115.01 2wad h VAL 275 Ca 0.11 -2.36 -0.18 0.00 0.82 0.00 0.00 66.70 65.09 2wad h VAL 275 Cb 0.57 2.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.92 2wad h VAL 275 CO -0.00 0.75 -0.62 -0.07 0.02 0.00 0.00 177.57 177.66 2wad h LEU 276 N -0.19 0.80 -9.35 2.57 3.38 -0.64 -2.66 115.31 109.23 2wad h LEU 276 Ca -0.37 -0.62 -0.60 0.00 0.09 0.00 0.00 57.88 56.38 2wad h LEU 276 Cb 1.86 -0.24 0.03 0.00 0.09 0.00 0.00 40.66 42.41 2wad h LEU 276 CO 0.05 1.29 1.00 1.67 0.09 0.00 0.00 178.44 182.54 2wad n GLN 277 N -4.09 2.17 -1.97 1.13 -0.06 -0.01 -0.16 117.38 114.39 2wad n GLN 277 Ca -0.07 0.79 -0.35 0.00 -2.00 0.00 0.00 57.00 55.36 2wad n GLN 277 Cb 0.66 -2.61 0.04 0.00 -4.06 0.00 0.00 30.24 24.26 2wad n GLN 277 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2wad s GLY 278 N 3.01 2.63 0.11 1.69 0.00 -1.26 -4.61 107.32 108.90 2wad s GLY 278 Ca 0.88 0.92 -0.30 0.00 0.00 0.00 0.00 44.72 46.22 2wad s GLY 278 CO 0.47 1.31 0.98 1.25 0.00 0.00 0.00 173.10 177.11 2wad s LYS 279 N -3.45 4.68 0.04 2.90 2.20 -0.82 -4.46 119.74 120.82 2wad s LYS 279 Ca 0.75 1.48 -0.24 0.00 -0.36 0.00 0.00 55.97 57.61 2wad s LYS 279 Cb -0.28 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 2wad s LYS 279 CO 0.34 0.18 0.73 1.03 -0.36 0.00 0.00 175.35 177.27 2wad s ARG 280 N 0.01 4.46 0.33 4.03 0.52 -1.26 -1.85 118.95 125.18 2wad s ARG 280 Ca 0.48 1.00 -0.29 0.00 -0.52 0.00 0.00 55.73 56.40 2wad s ARG 280 Cb -0.24 -3.35 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 2wad s ARG 280 CO 0.30 0.33 1.33 -1.25 0.02 0.00 0.00 175.30 176.04 2wad s PRO 281 N -0.19 4.33 -0.06 3.54 0.04 -1.19 -4.22 135.00 137.25 2wad s PRO 281 Ca 0.37 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.70 2wad s PRO 281 Cb -0.20 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2wad s PRO 281 CO 0.22 -0.24 -0.18 0.08 0.04 0.00 0.00 177.00 176.92 2wad s VAL 282 N -1.02 1.55 0.19 -0.36 1.01 -0.80 -2.34 120.40 118.62 2wad s VAL 282 Ca 0.50 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.81 2wad s VAL 282 Cb -0.40 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2wad s VAL 282 CO 0.53 0.44 -0.17 -0.54 0.00 0.00 0.00 175.10 175.36 2wad s LYS 283 N 0.22 1.32 -0.08 2.72 1.02 -0.51 -1.78 119.74 122.65 2wad s LYS 283 Ca -0.09 -1.49 0.04 0.00 0.02 0.00 0.00 55.97 54.45 2wad s LYS 283 Cb -0.14 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.88 2wad s LYS 283 CO 0.04 0.24 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.29 2wad s GLU 284 N -3.13 2.77 -0.25 1.68 2.02 -0.98 -0.73 118.70 120.08 2wad s GLU 284 Ca 0.19 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 2wad s GLU 284 Cb -0.04 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 31.88 2wad s GLU 284 CO 0.07 0.35 0.04 0.42 0.02 0.00 0.00 175.26 176.16 2wad s ILE 285 N -0.06 3.98 -0.06 -1.63 1.09 0.72 -2.63 121.20 122.60 2wad s ILE 285 Ca -0.06 -0.34 -0.16 0.00 -1.10 0.00 0.00 60.65 58.99 2wad s ILE 285 Cb -0.14 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.33 2wad s ILE 285 CO 0.05 0.33 0.42 -1.00 -0.10 0.00 0.00 174.94 174.63 2wad s HIS 286 N 1.56 3.62 0.15 3.97 3.76 -0.53 -1.99 115.29 125.83 2wad s HIS 286 Ca 0.06 0.91 0.11 0.00 -0.15 0.00 0.00 55.06 55.99 2wad s HIS 286 Cb -0.15 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 2wad s HIS 286 CO 0.01 0.43 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.58 2wad s LEU 287 N -0.30 2.36 0.00 0.89 1.43 -0.82 0.92 118.68 123.14 2wad s LEU 287 Ca 0.24 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2wad s LEU 287 Cb -0.16 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.93 2wad s LEU 287 CO 0.11 0.13 0.00 -0.90 0.23 0.00 0.00 176.35 175.92 2wad n ASP 288 N 0.72 0.00 -0.31 2.29 5.68 -0.39 -3.03 116.55 121.52 2wad n ASP 288 Ca -0.16 -0.81 0.13 0.00 -0.50 0.00 0.00 54.79 53.45 2wad n ASP 288 Cb 0.54 0.00 0.31 0.00 -1.14 0.00 0.00 41.12 40.83 2wad n ASP 288 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2wad h LYS 289 N 0.00 0.40 -0.01 0.11 1.57 -2.01 -1.81 116.57 114.83 2wad h LYS 289 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wad h LYS 289 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2wad h LYS 289 CO 0.00 0.27 -0.26 0.72 -0.57 0.00 0.00 179.45 179.60 2wad n HIS 290 N -5.03 0.00 -0.65 -1.35 8.25 -1.26 -4.92 115.22 110.26 2wad n HIS 290 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2wad n HIS 290 Cb 0.66 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2wad n HIS 290 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wad n GLY 291 N 1.36 0.65 3.82 -1.41 0.00 -0.68 -5.07 105.19 103.86 2wad n GLY 291 Ca 0.11 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2wad n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wad s ASP 292 N -2.21 6.77 0.06 1.61 1.01 -1.26 -4.78 116.67 117.87 2wad s ASP 292 Ca 0.00 1.73 -0.30 0.00 0.71 0.00 0.00 52.55 54.69 2wad s ASP 292 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2wad s ASP 292 CO 0.00 -0.48 1.09 0.00 0.21 0.00 0.00 175.17 175.99 2wad s MET 293 N -3.28 4.52 -0.11 8.23 0.23 -1.26 -1.26 119.30 126.37 2wad s MET 293 Ca 0.63 1.61 -0.13 0.00 -1.03 0.00 0.00 55.69 56.77 2wad s MET 293 Cb -0.11 -3.38 -0.04 0.00 -1.53 0.00 0.00 34.83 29.77 2wad s MET 293 CO 0.16 -0.10 -0.26 0.39 -2.03 0.00 0.00 175.02 173.18 2wad n GLU 294 N 3.63 0.39 -4.55 3.16 1.02 0.26 -4.89 120.64 119.66 2wad n GLU 294 Ca 0.07 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 57.05 2wad n GLU 294 Cb 0.48 -1.18 -0.12 0.00 -0.02 0.00 0.00 31.44 30.61 2wad n GLU 294 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wad s SER 295 N -5.81 4.03 -0.24 1.62 0.01 -0.98 -4.97 113.70 107.35 2wad s SER 295 Ca -0.21 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.70 2wad s SER 295 Cb 0.03 -0.72 0.06 0.00 0.21 0.00 0.00 66.02 65.59 2wad s SER 295 CO 0.32 0.25 -0.11 -0.69 0.41 0.00 0.00 173.24 173.42 2wad s VAL 296 N -0.98 2.00 -0.09 3.43 1.01 -1.26 -1.45 120.40 123.06 2wad s VAL 296 Ca 0.16 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.71 2wad s VAL 296 Cb -0.11 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2wad s VAL 296 CO 0.07 0.02 -0.18 -0.70 0.00 0.00 0.00 175.10 174.31 2wad s GLU 297 N 1.19 2.38 -0.18 2.72 2.12 -1.08 -5.05 118.70 120.80 2wad s GLU 297 Ca -0.07 -0.64 -0.23 0.00 0.36 0.00 0.00 54.97 54.39 2wad s GLU 297 Cb -0.19 -1.90 -0.02 0.00 0.26 0.00 0.00 34.13 32.28 2wad s GLU 297 CO -0.06 0.06 0.73 1.21 -0.54 0.00 0.00 175.26 176.65 2wad s ASN 298 N 0.64 6.82 0.00 -1.70 2.47 -1.26 -2.32 114.94 119.59 2wad s ASN 298 Ca -0.14 1.01 0.00 0.00 0.42 0.00 0.00 52.86 54.15 2wad s ASN 298 Cb -0.16 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.24 2wad s ASN 298 CO 0.04 -0.32 0.00 -0.38 -3.72 0.00 0.00 177.10 172.72 2wad n ILE 299 N 4.67 0.00 -3.59 -5.21 5.41 -0.73 -5.00 119.36 114.90 2wad n ILE 299 Ca 0.01 0.30 -0.26 0.00 1.00 0.00 0.00 62.75 63.81 2wad n ILE 299 Cb 0.49 -1.29 -0.02 0.00 -0.71 0.00 0.00 39.64 38.11 2wad n ILE 299 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2wad s GLU 300 N -0.66 3.51 0.04 0.38 2.02 -1.13 -4.97 118.70 117.89 2wad s GLU 300 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 54.71 2wad s GLU 300 Cb 0.00 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2wad s GLU 300 CO 0.00 0.31 -0.15 -1.21 0.02 0.00 0.00 175.26 174.23 2wad s GLU 301 N -3.72 2.17 0.71 1.61 2.02 -1.26 -1.91 118.70 118.32 2wad s GLU 301 Ca 0.39 -0.93 -0.07 0.00 0.02 0.00 0.00 54.97 54.38 2wad s GLU 301 Cb -0.10 -2.26 0.06 0.00 0.10 0.00 0.00 34.13 31.93 2wad s GLU 301 CO 0.31 0.55 1.02 0.20 0.02 0.00 0.00 175.26 177.37 2wad s GLY 302 N -1.49 1.68 -0.23 -1.39 0.00 -1.26 -4.53 107.32 100.10 2wad s GLY 302 Ca 0.16 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.72 2wad s GLY 302 CO 0.06 -0.48 0.91 -1.35 0.00 0.00 0.00 173.10 172.25 2wad s SER 303 N -4.51 -0.52 0.16 1.64 1.04 -0.77 -4.86 113.70 105.87 2wad s SER 303 Ca 0.60 0.88 -0.34 0.00 0.48 0.00 0.00 55.95 57.57 2wad s SER 303 Cb -0.11 0.85 -0.16 0.00 0.10 0.00 0.00 66.02 66.70 2wad s SER 303 CO 0.45 -0.27 1.24 1.17 0.98 0.00 0.00 173.24 176.81 2wad n LYS 304 N 1.85 1.27 -0.52 4.02 4.81 -1.26 -1.95 118.16 126.37 2wad n LYS 304 Ca -0.13 0.45 -0.29 0.00 -0.87 0.00 0.00 58.31 57.47 2wad n LYS 304 Cb 0.56 -2.01 0.22 0.00 0.02 0.00 0.00 35.03 33.83 2wad n LYS 304 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wad n GLY 305 N 2.18 -2.54 3.91 3.14 0.00 -0.46 -4.67 105.19 106.76 2wad n GLY 305 Ca 0.15 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 2wad n GLY 305 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s LYS 306 N -4.00 3.55 0.23 1.61 -0.14 -1.00 -4.29 119.74 115.69 2wad s LYS 306 Ca 0.61 0.06 0.03 0.00 -1.36 0.00 0.00 55.97 55.31 2wad s LYS 306 Cb -0.17 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 2wad s LYS 306 CO 0.62 -0.07 0.37 -0.80 -0.76 0.00 0.00 175.35 174.71 2wad s ASN 307 N -3.96 6.33 -0.05 2.83 0.02 0.14 -4.18 114.94 116.07 2wad s ASN 307 Ca 0.45 0.18 0.06 0.00 -1.02 0.00 0.00 52.86 52.53 2wad s ASN 307 Cb -0.10 -1.91 -0.01 0.00 0.02 0.00 0.00 41.25 39.25 2wad s ASN 307 CO 0.41 -0.07 -0.25 0.27 0.02 0.00 0.00 177.10 177.48 2wad s ILE 308 N -1.96 2.13 -0.14 0.60 -4.36 -0.93 -0.16 121.20 116.38 2wad s ILE 308 Ca 0.35 -1.05 -0.04 0.00 -0.26 0.00 0.00 60.65 59.65 2wad s ILE 308 Cb -0.10 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.82 2wad s ILE 308 CO 0.30 0.57 -0.02 -0.75 0.24 0.00 0.00 174.94 175.29 2wad s LYS 309 N -0.32 3.54 0.63 0.37 2.20 -0.88 -1.81 119.74 123.47 2wad s LYS 309 Ca 0.01 -0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2wad s LYS 309 Cb -0.12 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.29 2wad s LYS 309 CO 0.02 0.36 0.95 -0.51 -0.36 0.00 0.00 175.35 175.82 2wad s LEU 310 N 0.05 3.10 0.15 5.43 1.43 -0.13 0.52 118.68 129.24 2wad s LEU 310 Ca 0.01 0.74 0.25 0.00 -1.03 0.00 0.00 54.13 54.10 2wad s LEU 310 Cb -0.13 -3.53 0.53 0.00 0.03 0.00 0.00 46.19 43.09 2wad s LEU 310 CO 0.02 -1.20 1.50 0.35 0.23 0.00 0.00 176.35 177.25 2wad n THR 311 N -2.71 0.45 -3.18 5.49 -2.24 0.93 -3.43 114.28 109.59 2wad n THR 311 Ca 0.05 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 2wad n THR 311 Cb 0.58 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 2wad n THR 311 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wad s ILE 312 N -3.14 5.11 -0.15 2.28 1.01 -1.19 -4.65 121.20 120.48 2wad s ILE 312 Ca 0.08 1.19 -0.22 0.00 0.00 0.00 0.00 60.65 61.70 2wad s ILE 312 Cb 0.13 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 2wad s ILE 312 CO 0.67 0.27 0.65 -0.62 0.00 0.00 0.00 174.94 175.92 2wad s ASP 313 N 0.75 6.80 0.50 3.58 -1.08 -1.26 -0.88 116.67 125.09 2wad s ASP 313 Ca 0.31 0.97 0.16 0.00 -0.52 0.00 0.00 52.55 53.47 2wad s ASP 313 Cb -0.16 -2.37 1.20 0.00 -1.46 0.00 0.00 42.92 40.13 2wad s ASP 313 CO 0.14 -0.21 2.10 0.25 0.52 0.00 0.00 175.17 177.97 2wad h LEU 314 N 7.61 0.11 0.14 -1.34 5.85 -1.95 -0.32 115.31 125.40 2wad h LEU 314 Ca -0.35 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2wad h LEU 314 Cb 1.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2wad h LEU 314 CO 0.77 0.08 -0.07 0.00 -0.34 0.00 0.00 178.44 178.88 2wad h ALA 315 N 1.89 -0.19 0.02 1.25 0.00 -1.99 -0.69 119.26 119.56 2wad h ALA 315 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wad h ALA 315 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wad h ALA 315 CO -0.01 -0.37 -0.09 0.35 0.00 0.00 0.00 179.25 179.13 2wad h PHE 316 N -0.66 -0.22 -0.98 0.00 3.57 -1.85 -1.63 116.94 115.17 2wad h PHE 316 Ca -0.02 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 2wad h PHE 316 Cb 0.49 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 2wad h PHE 316 CO 0.07 -0.14 0.63 0.37 -2.23 0.00 0.00 178.31 177.01 2wad h GLN 317 N -0.16 1.08 -0.71 1.11 5.75 -1.08 -0.93 115.11 120.17 2wad h GLN 317 Ca 0.03 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 2wad h GLN 317 Cb 0.19 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 2wad h GLN 317 CO -0.07 0.72 0.34 -0.44 -2.65 0.00 0.00 178.83 176.72 2wad h ASP 318 N 1.12 0.93 0.32 -0.69 3.32 -0.90 -2.13 116.42 118.39 2wad h ASP 318 Ca 0.43 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 2wad h ASP 318 Cb 0.22 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wad h ASP 318 CO -0.19 0.80 -0.40 0.77 -1.72 0.00 0.00 179.24 178.51 2wad h SER 319 N 0.99 0.12 -0.23 6.45 4.64 -0.44 -2.94 113.55 122.13 2wad h SER 319 Ca 0.24 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 2wad h SER 319 Cb 0.12 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wad h SER 319 CO -0.03 0.51 -0.49 0.58 -0.87 0.00 0.00 176.83 176.52 2wad h VAL 320 N 0.10 1.30 -0.77 0.95 2.07 -0.94 -2.38 116.25 116.58 2wad h VAL 320 Ca 0.01 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 65.85 2wad h VAL 320 Cb 0.75 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2wad h VAL 320 CO 0.06 0.54 0.51 0.44 0.02 0.00 0.00 177.57 179.13 2wad h ASP 321 N 0.46 0.84 0.66 0.57 3.45 -1.37 -1.17 116.42 119.86 2wad h ASP 321 Ca 0.00 -0.01 -0.24 0.00 0.43 0.00 0.00 57.03 57.21 2wad h ASP 321 Cb 1.10 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.67 2wad h ASP 321 CO 0.11 0.59 -1.07 0.00 -1.57 0.00 0.00 179.24 177.30 2wad h ALA 322 N 1.54 0.28 0.23 3.45 0.00 -1.52 -2.60 119.26 120.64 2wad h ALA 322 Ca 0.30 -0.83 0.01 0.00 0.00 0.00 0.00 54.91 54.38 2wad h ALA 322 Cb -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wad h ALA 322 CO -0.08 0.99 -0.27 1.25 0.00 0.00 0.00 179.25 181.15 2wad h LEU 323 N 0.08 -0.72 -0.64 0.00 5.85 -1.14 -1.93 115.31 116.81 2wad h LEU 323 Ca -0.08 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2wad h LEU 323 Cb 1.77 0.25 -0.07 0.00 0.37 0.00 0.00 40.66 42.98 2wad h LEU 323 CO 0.17 -0.38 0.26 -0.07 -0.34 0.00 0.00 178.44 178.08 2wad h LEU 324 N -0.54 0.28 -0.20 2.25 4.07 -1.22 -1.20 115.31 118.75 2wad h LEU 324 Ca 0.00 0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.92 2wad h LEU 324 Cb 0.52 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.30 2wad h LEU 324 CO -0.08 0.16 -0.32 0.50 -1.08 0.00 0.00 178.44 177.62 2wad h LYS 325 N 0.45 0.58 -0.23 1.13 3.64 -1.42 -1.22 116.57 119.50 2wad h LYS 325 Ca 0.32 -0.35 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2wad h LYS 325 Cb 0.40 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2wad h LYS 325 CO -0.31 0.95 -0.04 1.03 -2.27 0.00 0.00 179.45 178.81 2wad h SER 326 N 0.25 -0.18 -0.58 4.20 0.87 -1.05 0.49 113.55 117.55 2wad h SER 326 Ca 0.02 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 2wad h SER 326 Cb 0.90 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.92 2wad h SER 326 CO 0.07 -0.06 0.23 1.88 -0.53 0.00 0.00 176.83 178.43 2wad h TYR 327 N 0.02 0.41 -0.21 2.24 0.05 -1.22 -2.84 116.97 115.42 2wad h TYR 327 Ca 0.11 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2wad h TYR 327 Cb 0.16 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2wad h TYR 327 CO -0.22 0.13 -0.04 0.35 -1.05 0.00 0.00 178.16 177.33 2wad h PHE 328 N 0.43 0.44 -0.52 4.88 3.57 -0.36 -2.34 116.94 123.04 2wad h PHE 328 Ca 0.29 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.80 2wad h PHE 328 Cb 0.32 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 38.84 2wad h PHE 328 CO -0.15 0.63 -0.27 -0.91 -2.23 0.00 0.00 178.31 175.38 2wad h ASN 329 N 0.13 -0.92 -0.78 0.41 2.35 -0.91 0.16 115.58 116.02 2wad h ASN 329 Ca 0.05 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 2wad h ASN 329 Cb 0.48 0.48 -0.04 0.00 0.05 0.00 0.00 38.32 39.29 2wad h ASN 329 CO 0.02 -0.28 0.41 -1.28 -1.65 0.00 0.00 177.43 174.65 2wad h SER 330 N -0.14 1.00 0.88 5.81 0.87 -1.40 0.38 113.55 120.95 2wad h SER 330 Ca 0.23 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2wad h SER 330 Cb 0.51 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2wad h SER 330 CO -0.61 0.82 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.17 2wad h GLU 331 N 1.11 0.00 0.19 2.24 4.39 -0.84 0.15 114.58 121.82 2wad h GLU 331 Ca 0.28 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.70 2wad h GLU 331 Cb 0.07 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2wad h GLU 331 CO -0.04 0.01 -1.26 -0.07 -1.16 0.00 0.00 179.01 176.50 2wad h LEU 332 N 0.00 0.64 -0.44 1.33 3.38 0.92 -0.37 115.31 120.77 2wad h LEU 332 Ca -0.00 -0.93 0.09 0.00 0.09 0.00 0.00 57.88 57.13 2wad h LEU 332 Cb 0.46 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.91 2wad h LEU 332 CO 0.00 1.59 -0.19 1.23 0.09 0.00 0.00 178.44 181.16 2wad h GLY 333 N -0.00 0.13 1.71 0.83 0.00 0.04 -2.79 103.07 102.99 2wad h GLY 333 Ca -0.23 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wad h GLY 333 CO 0.20 -0.20 -0.12 1.16 0.00 0.00 0.00 176.54 177.58 2wad n ASN 334 N -5.38 0.13 0.00 0.19 0.23 0.01 -4.96 115.26 105.48 2wad n ASN 334 Ca 0.03 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 2wad n ASN 334 Cb 0.29 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 2wad n ASN 334 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wad n GLY 335 N 1.48 2.64 0.29 4.83 0.00 -0.93 -4.98 105.19 108.53 2wad n GLY 335 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2wad n GLY 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wad h GLY 336 N 0.00 1.11 -0.14 -0.02 0.00 -1.46 -2.91 103.07 99.65 2wad h GLY 336 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.45 2wad h GLY 336 CO 0.00 0.81 0.00 0.00 0.00 0.00 0.00 176.54 177.35 2wad n ALA 337 N -2.49 2.49 -0.17 3.60 0.00 -0.29 -1.74 120.51 121.91 2wad n ALA 337 Ca 0.02 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2wad n ALA 337 Cb 0.39 -1.00 0.42 0.00 0.00 0.00 0.00 19.45 19.26 2wad n ALA 337 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2wad h LYS 338 N 0.23 0.59 -0.22 0.00 3.64 -1.73 -2.03 116.57 117.05 2wad h LYS 338 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wad h LYS 338 Cb 0.05 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2wad h LYS 338 CO 0.00 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.23 2wad n TYR 339 N -4.49 0.51 -2.85 1.91 4.01 -1.26 -5.01 117.16 109.97 2wad n TYR 339 Ca 0.12 -0.71 -0.40 0.00 -0.16 0.00 0.00 57.90 56.76 2wad n TYR 339 Cb 0.36 -0.15 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 2wad n TYR 339 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wad s SER 340 N -1.59 7.46 0.00 7.72 0.15 -0.76 -4.88 113.70 121.79 2wad s SER 340 Ca 0.28 1.73 0.30 0.00 0.70 0.00 0.00 55.95 58.96 2wad s SER 340 Cb 0.20 -2.55 1.50 0.00 -1.71 0.00 0.00 66.02 63.47 2wad s SER 340 CO 0.09 0.08 2.04 -0.62 1.20 0.00 0.00 173.24 176.03 2wad n GLU 341 N 2.14 0.48 -1.28 5.44 4.71 -1.26 -4.65 120.64 126.21 2wad n GLU 341 Ca -0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 2wad n GLU 341 Cb 0.49 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 2wad n GLU 341 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wad n GLY 342 N 1.28 0.26 2.96 0.62 0.00 -1.26 -0.46 105.19 108.59 2wad n GLY 342 Ca 0.15 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 2wad n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wad s VAL 343 N -2.38 0.35 0.01 1.61 0.11 -0.94 -4.09 120.40 115.06 2wad s VAL 343 Ca 0.00 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2wad s VAL 343 Cb 0.00 -0.33 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 2wad s VAL 343 CO 0.00 -0.02 -0.04 -0.31 -3.33 0.00 0.00 175.10 171.40 2wad s TYR 344 N -0.39 0.32 -0.04 1.54 2.02 -0.22 -1.66 117.35 118.92 2wad s TYR 344 Ca -0.01 -0.18 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 2wad s TYR 344 Cb -0.03 -0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.34 2wad s TYR 344 CO -0.00 -0.04 0.10 0.00 -1.57 0.00 0.00 175.55 174.04 2wad s ALA 345 N -0.46 -0.20 -0.08 3.71 0.00 -0.72 -0.05 121.76 123.96 2wad s ALA 345 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2wad s ALA 345 Cb -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2wad s ALA 345 CO -0.00 -0.08 -0.14 0.08 0.00 0.00 0.00 175.76 175.62 2wad s VAL 346 N 0.45 1.33 -0.11 0.00 1.01 -0.83 -1.21 120.40 121.05 2wad s VAL 346 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2wad s VAL 346 Cb -0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 2wad s VAL 346 CO -0.02 0.40 -0.12 0.00 0.00 0.00 0.00 175.10 175.36 2wad s ALA 347 N 0.78 2.68 0.12 5.51 0.00 -0.47 -1.90 121.76 128.48 2wad s ALA 347 Ca -0.12 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.01 2wad s ALA 347 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2wad s ALA 347 CO 0.02 0.34 -0.18 -0.51 0.00 0.00 0.00 175.76 175.43 2wad s LEU 348 N 0.03 2.35 -0.30 0.00 1.43 -0.42 0.13 118.68 121.90 2wad s LEU 348 Ca -0.04 -0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 2wad s LEU 348 Cb -0.14 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2wad s LEU 348 CO 0.04 -0.03 0.68 0.21 0.23 0.00 0.00 176.35 177.49 2wad s ASN 349 N -2.19 6.56 0.00 2.29 3.84 -0.02 -0.65 114.94 124.77 2wad s ASN 349 Ca 0.08 0.52 0.24 0.00 0.21 0.00 0.00 52.86 53.91 2wad s ASN 349 Cb -0.08 -2.36 1.15 0.00 -0.55 0.00 0.00 41.25 39.42 2wad s ASN 349 CO 0.04 -0.52 1.79 -0.81 -2.79 0.00 0.00 177.10 174.81 2wad n PRO 350 N 5.98 0.22 0.13 0.43 -0.04 -1.26 -0.28 135.00 140.19 2wad n PRO 350 Ca 0.01 0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 2wad n PRO 350 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2wad n PRO 350 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2wad h GLN 351 N 0.00 0.00 0.00 0.54 4.20 -1.91 -3.42 115.11 114.52 2wad h GLN 351 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wad h GLN 351 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2wad h GLN 351 CO 0.00 0.13 -0.16 0.25 -0.67 0.00 0.00 178.83 178.38 2wad n THR 352 N -2.92 0.00 -0.68 -0.54 -2.24 -1.17 -5.02 114.28 101.71 2wad n THR 352 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wad n THR 352 Cb 0.62 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2wad n THR 352 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 353 N 0.62 0.64 3.73 3.38 0.00 0.62 -4.46 105.19 109.72 2wad n GLY 353 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2wad n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wad s ALA 354 N -2.00 3.53 -0.20 4.61 0.00 -1.22 0.26 121.76 126.74 2wad s ALA 354 Ca 0.00 1.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 2wad s ALA 354 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2wad s ALA 354 CO 0.00 -0.55 0.98 0.08 0.00 0.00 0.00 175.76 176.28 2wad s VAL 355 N 0.58 4.74 -0.14 0.00 1.01 -0.31 -0.84 120.40 125.44 2wad s VAL 355 Ca 0.60 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 64.50 2wad s VAL 355 Cb -0.36 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 31.51 2wad s VAL 355 CO 0.34 -0.10 0.27 0.18 0.00 0.00 0.00 175.10 175.78 2wad n LEU 356 N 5.87 2.37 -3.54 3.92 4.77 0.12 -3.15 117.00 127.36 2wad n LEU 356 Ca 0.10 0.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.08 2wad n LEU 356 Cb 0.47 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2wad n LEU 356 CO 0.51 0.80 0.55 -0.94 -1.33 0.00 0.00 177.39 176.98 2wad s SER 357 N -6.74 -0.56 -0.12 -1.43 1.04 -1.14 -4.15 113.70 100.59 2wad s SER 357 Ca -0.22 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 2wad s SER 357 Cb 0.07 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.70 2wad s SER 357 CO 0.74 -0.53 0.01 -0.04 0.98 0.00 0.00 173.24 174.40 2wad s MET 358 N -1.22 0.69 0.05 4.02 1.00 -1.26 -1.37 119.30 121.21 2wad s MET 358 Ca -0.08 -0.11 0.06 0.00 0.00 0.00 0.00 55.69 55.56 2wad s MET 358 Cb -0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 34.83 33.36 2wad s MET 358 CO 0.07 -0.43 -0.17 -1.12 0.00 0.00 0.00 175.02 173.38 2wad s SER 359 N 1.91 1.97 0.00 3.03 0.01 -0.35 -4.74 113.70 115.54 2wad s SER 359 Ca 0.03 -0.51 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 2wad s SER 359 Cb -0.14 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.00 2wad s SER 359 CO -0.06 0.06 0.42 -0.83 0.41 0.00 0.00 173.24 173.23 2wad s GLY 360 N -1.29 -0.28 -0.17 3.44 0.00 -1.24 -1.75 107.32 106.04 2wad s GLY 360 Ca 0.03 0.49 -0.04 0.00 0.00 0.00 0.00 44.72 45.20 2wad s GLY 360 CO 0.02 0.23 0.07 -2.27 0.00 0.00 0.00 173.10 171.15 2wad s LEU 361 N -1.60 0.56 0.21 0.66 2.96 -0.66 -0.70 118.68 120.11 2wad s LEU 361 Ca -0.10 -0.62 -0.22 0.00 -0.22 0.00 0.00 54.13 52.97 2wad s LEU 361 Cb -0.02 -0.33 -0.08 0.00 0.50 0.00 0.00 46.19 46.25 2wad s LEU 361 CO 0.02 -0.33 0.76 -0.75 -1.32 0.00 0.00 176.35 174.73 2wad s LYS 362 N 2.06 4.39 -0.32 1.98 2.20 0.85 -2.22 119.74 128.69 2wad s LYS 362 Ca 0.01 1.01 0.03 0.00 -0.36 0.00 0.00 55.97 56.67 2wad s LYS 362 Cb -0.16 -3.02 0.09 0.00 -1.51 0.00 0.00 37.83 33.23 2wad s LYS 362 CO -0.08 0.45 0.02 -1.58 -0.36 0.00 0.00 175.35 173.80 2wad s HIS 363 N -1.39 3.43 -0.08 4.03 5.65 0.40 -1.92 115.29 125.40 2wad s HIS 363 Ca 0.41 -2.72 -0.29 0.00 0.25 0.00 0.00 55.06 52.71 2wad s HIS 363 Cb -0.19 -2.59 -0.06 0.00 -1.18 0.00 0.00 32.58 28.56 2wad s HIS 363 CO 0.23 -0.92 1.86 0.34 -0.65 0.00 0.00 174.74 175.60 2wad s ASP 364 N 1.02 6.32 0.00 9.88 -1.08 -0.52 -4.48 116.67 127.81 2wad s ASP 364 Ca 0.07 2.22 0.19 0.00 -0.52 0.00 0.00 52.55 54.51 2wad s ASP 364 Cb -0.19 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 39.61 2wad s ASP 364 CO -0.09 -1.22 1.62 0.18 0.52 0.00 0.00 175.17 176.18 2wad n LEU 365 N 8.34 0.00 -0.12 -1.34 4.77 -1.26 -0.96 117.00 126.43 2wad n LEU 365 Ca 0.21 0.45 -0.23 0.00 -0.03 0.00 0.00 56.01 56.41 2wad n LEU 365 Cb 0.43 -0.45 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2wad n LEU 365 CO 0.66 -0.15 -1.27 0.29 -1.33 0.00 0.00 177.39 175.59 2wad n LYS 366 N -1.45 0.63 0.00 3.23 5.02 -1.26 -4.69 118.16 119.65 2wad n LYS 366 Ca 0.06 0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.69 2wad n LYS 366 Cb 0.21 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 2wad n LYS 366 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wad n THR 367 N -3.72 0.06 -0.95 -0.18 -2.24 -1.22 -4.99 114.28 101.04 2wad n THR 367 Ca -0.47 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2wad n THR 367 Cb 0.94 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2wad n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 368 N 1.30 1.03 3.77 3.38 0.00 -0.13 -5.04 105.19 109.49 2wad n GLY 368 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2wad n GLY 368 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wad s GLU 369 N -0.03 3.55 -0.18 1.61 2.12 -1.25 -4.70 118.70 119.80 2wad s GLU 369 Ca 0.00 1.80 -0.01 0.00 0.36 0.00 0.00 54.97 57.12 2wad s GLU 369 Cb 0.00 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 32.11 2wad s GLU 369 CO 0.00 -0.73 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.36 2wad s LEU 370 N -3.31 2.61 0.02 2.70 1.43 -1.26 -1.45 118.68 119.43 2wad s LEU 370 Ca 0.67 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2wad s LEU 370 Cb -0.29 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2wad s LEU 370 CO 0.35 0.03 -0.10 0.42 0.23 0.00 0.00 176.35 177.29 2wad s THR 371 N 1.13 0.74 0.46 5.49 -4.23 -0.81 -4.96 115.64 113.46 2wad s THR 371 Ca 0.01 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 59.61 2wad s THR 371 Cb -0.14 -0.68 -0.08 0.00 1.34 0.00 0.00 72.50 72.94 2wad s THR 371 CO -0.03 0.01 1.13 -2.16 -0.54 0.00 0.00 174.62 173.02 2wad s PRO 372 N -0.76 3.79 -0.42 3.99 0.04 -1.26 -0.10 135.00 140.27 2wad s PRO 372 Ca -0.00 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.80 2wad s PRO 372 Cb -0.06 -2.36 0.31 0.00 0.04 0.00 0.00 34.50 32.43 2wad s PRO 372 CO 0.00 -0.50 0.87 -3.47 0.04 0.00 0.00 177.00 173.94 2wad n ASP 373 N -0.54 -1.01 -0.25 6.66 2.03 0.13 -4.76 116.55 118.82 2wad n ASP 373 Ca 0.07 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.11 2wad n ASP 373 Cb 0.49 0.71 0.22 0.00 -0.72 0.00 0.00 41.12 41.82 2wad n ASP 373 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2wad h SER 374 N 3.28 0.91 1.05 1.67 0.02 -1.85 -2.47 113.55 116.16 2wad h SER 374 Ca -0.02 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wad h SER 374 Cb 1.02 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.33 2wad h SER 374 CO 0.33 0.66 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.60 2wad h LEU 375 N 1.07 0.00 -2.11 5.07 3.38 -1.93 -2.37 115.31 118.43 2wad h LEU 375 Ca 0.30 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.35 2wad h LEU 375 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2wad h LEU 375 CO -0.07 0.01 0.27 1.23 0.09 0.00 0.00 178.44 179.97 2wad h GLY 376 N 2.12 0.00 1.90 0.83 0.00 -1.84 -1.79 103.07 104.30 2wad h GLY 376 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2wad h GLY 376 CO 0.00 0.00 0.04 -0.91 0.00 0.00 0.00 176.54 175.67 2wad h THR 377 N 0.00 0.78 -0.01 4.70 1.35 -1.59 -1.87 112.91 116.27 2wad h THR 377 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2wad h THR 377 Cb 0.68 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2wad h THR 377 CO -0.00 0.00 -0.04 1.33 -0.25 0.00 0.00 175.52 176.56 2wad n VAL 378 N -4.23 0.00 0.00 6.82 0.24 -0.72 -1.27 118.33 119.17 2wad n VAL 378 Ca -0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2wad n VAL 378 Cb 0.13 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 2wad n VAL 378 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wad n THR 379 N 0.10 0.00 -4.08 3.34 -2.24 -0.93 -1.64 114.28 108.84 2wad n THR 379 Ca 0.03 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2wad n THR 379 Cb 0.13 0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 68.79 2wad n THR 379 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 380 N -1.32 5.38 0.03 3.42 0.01 -0.72 -4.73 114.94 117.01 2wad s ASN 380 Ca 0.00 -0.09 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2wad s ASN 380 Cb 0.00 -1.39 -0.03 0.00 0.41 0.00 0.00 41.25 40.24 2wad s ASN 380 CO 0.00 0.15 -0.26 0.68 -1.51 0.00 0.00 177.10 176.16 2wad s VAL 381 N -1.45 2.06 0.04 1.60 -7.23 -1.26 -3.95 120.40 110.21 2wad s VAL 381 Ca 0.29 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2wad s VAL 381 Cb -0.12 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 2wad s VAL 381 CO 0.21 0.42 -0.05 -0.36 -0.31 0.00 0.00 175.10 175.01 2wad s PHE 382 N -0.74 0.51 0.18 2.82 0.08 -0.32 -4.86 117.98 115.65 2wad s PHE 382 Ca 0.11 -0.72 -0.31 0.00 0.12 0.00 0.00 56.93 56.13 2wad s PHE 382 Cb -0.10 -0.34 -0.10 0.00 -0.57 0.00 0.00 43.02 41.91 2wad s PHE 382 CO 0.01 -0.21 1.54 0.14 -0.10 0.00 0.00 175.22 176.60 2wad s VAL 383 N -2.39 2.67 0.09 -0.44 -7.23 -1.26 -1.43 120.40 110.40 2wad s VAL 383 Ca -0.05 0.49 0.01 0.00 -1.81 0.00 0.00 61.98 60.62 2wad s VAL 383 Cb -0.03 -3.31 -0.25 0.00 0.56 0.00 0.00 36.38 33.34 2wad s VAL 383 CO -0.04 0.05 1.17 1.55 -0.31 0.00 0.00 175.10 177.52 2wad h PRO 384 N 6.49 0.15 0.00 4.82 0.13 -1.76 -3.48 132.00 138.36 2wad h PRO 384 Ca -0.43 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2wad h PRO 384 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2wad h PRO 384 CO 0.89 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 180.17 2wad n GLY 385 N 1.47 -0.37 0.12 1.56 0.00 -0.51 -4.27 105.19 103.17 2wad n GLY 385 Ca -0.06 -1.07 0.10 0.00 0.00 0.00 0.00 46.02 45.00 2wad n GLY 385 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wad n SER 386 N -0.32 0.51 0.32 1.61 7.64 -1.26 -2.93 113.62 119.19 2wad n SER 386 Ca 0.00 0.67 0.19 0.00 1.01 0.00 0.00 58.87 60.73 2wad n SER 386 Cb 0.00 -0.76 1.05 0.00 -1.01 0.00 0.00 64.21 63.50 2wad n SER 386 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2wad h VAL 387 N 0.00 0.29 -0.07 0.44 -1.51 -1.73 -2.60 116.25 111.07 2wad h VAL 387 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2wad h VAL 387 Cb 0.20 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2wad h VAL 387 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 177.67 2wad n VAL 388 N -3.50 0.10 0.26 7.19 0.24 -1.15 -4.25 118.33 117.23 2wad n VAL 388 Ca -0.03 -0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.26 2wad n VAL 388 Cb 0.08 -0.01 0.72 0.00 -1.47 0.00 0.00 33.84 33.16 2wad n VAL 388 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2wad h LYS 389 N 0.86 0.00 -0.04 7.34 1.57 -1.74 -1.51 116.57 123.06 2wad h LYS 389 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2wad h LYS 389 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wad h LYS 389 CO 0.00 0.12 -0.51 0.00 -0.57 0.00 0.00 179.45 178.49 2wad h ALA 390 N 1.88 1.09 -0.22 3.86 0.00 -1.85 -1.98 119.26 122.04 2wad h ALA 390 Ca -0.00 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.26 2wad h ALA 390 Cb 0.37 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wad h ALA 390 CO 0.02 0.65 -0.59 0.00 0.00 0.00 0.00 179.25 179.32 2wad h ALA 391 N 1.41 0.54 -0.22 0.00 0.00 -1.58 -2.59 119.26 116.81 2wad h ALA 391 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2wad h ALA 391 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2wad h ALA 391 CO 0.07 0.69 -0.02 1.15 0.00 0.00 0.00 179.25 181.14 2wad h THR 392 N 0.54 1.27 -0.39 0.00 2.02 -1.27 -2.37 112.91 112.71 2wad h THR 392 Ca -0.00 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.29 2wad h THR 392 Cb 1.18 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.99 2wad h THR 392 CO 0.12 0.29 0.09 0.40 0.37 0.00 0.00 175.52 176.79 2wad h ILE 393 N 0.15 0.82 -0.92 3.11 2.04 -1.43 -1.21 117.51 120.07 2wad h ILE 393 Ca 0.06 -0.08 0.24 0.00 1.00 0.00 0.00 64.86 66.09 2wad h ILE 393 Cb 0.44 0.58 -0.13 0.00 -0.74 0.00 0.00 36.82 36.97 2wad h ILE 393 CO 0.02 0.04 0.41 0.28 0.00 0.00 0.00 178.15 178.89 2wad h SER 394 N 0.22 0.33 0.43 1.72 0.02 -1.34 -0.04 113.55 114.89 2wad h SER 394 Ca 0.19 0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 61.20 2wad h SER 394 Cb 0.21 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2wad h SER 394 CO -0.23 -0.04 -0.48 -1.28 -1.14 0.00 0.00 176.83 173.66 2wad h SER 395 N 0.37 0.06 -0.11 3.07 0.87 -0.72 -1.70 113.55 115.39 2wad h SER 395 Ca 0.59 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 61.16 2wad h SER 395 Cb 1.18 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 2wad h SER 395 CO -0.56 0.53 -0.17 1.23 -0.53 0.00 0.00 176.83 177.33 2wad h GLY 396 N 1.40 -0.13 0.87 5.77 0.00 -0.05 -2.28 103.07 108.66 2wad h GLY 396 Ca -0.00 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 2wad h GLY 396 CO 0.06 -0.16 0.00 1.49 0.00 0.00 0.00 176.54 177.93 2wad h TRP 397 N -0.22 0.01 -0.73 5.60 6.55 -0.90 -1.46 115.95 124.80 2wad h TRP 397 Ca 0.09 -0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.99 2wad h TRP 397 Cb 0.35 -0.00 -0.05 0.00 -0.86 0.00 0.00 29.16 28.60 2wad h TRP 397 CO -0.28 0.14 0.43 0.93 -1.05 0.00 0.00 178.44 178.61 2wad h GLU 398 N -0.13 0.78 -0.82 0.49 5.08 -1.34 -2.50 114.58 116.14 2wad h GLU 398 Ca 0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2wad h GLU 398 Cb 0.13 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2wad h GLU 398 CO -0.00 0.51 0.10 0.09 -1.00 0.00 0.00 179.01 178.71 2wad n ASN 399 N -4.71 3.70 -1.67 1.42 3.02 -0.86 -4.91 115.26 111.24 2wad n ASN 399 Ca 0.09 -2.65 -0.18 0.00 -0.03 0.00 0.00 54.58 51.82 2wad n ASN 399 Cb 0.16 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 2wad n ASN 399 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wad n GLY 400 N 0.16 0.86 0.13 7.41 0.00 -0.94 -4.87 105.19 107.94 2wad n GLY 400 Ca 0.21 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 2wad n GLY 400 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wad h VAL 401 N 0.00 0.76 -2.99 1.61 2.07 -1.51 -3.48 116.25 112.70 2wad h VAL 401 Ca -0.40 -2.33 -0.62 0.00 0.82 0.00 0.00 66.70 64.17 2wad h VAL 401 Cb 1.24 2.50 -0.13 0.00 -1.52 0.00 0.00 31.29 33.38 2wad h VAL 401 CO 0.53 0.77 -0.70 -0.76 0.02 0.00 0.00 177.57 177.42 2wad s LEU 402 N -7.29 3.09 -0.13 2.57 1.43 -0.99 -5.00 118.68 112.36 2wad s LEU 402 Ca -0.23 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.36 2wad s LEU 402 Cb 0.06 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2wad s LEU 402 CO 0.74 0.10 -0.03 -0.55 0.23 0.00 0.00 176.35 176.85 2wad s SER 403 N -2.83 2.35 0.94 2.29 0.15 -1.26 -4.35 113.70 111.00 2wad s SER 403 Ca 0.25 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2wad s SER 403 Cb -0.09 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2wad s SER 403 CO 0.16 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2wad n GLY 404 N 5.00 1.27 2.34 9.45 0.00 -1.26 -3.23 105.19 118.76 2wad n GLY 404 Ca -0.10 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 2wad n GLY 404 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wad n ASN 405 N -2.09 7.08 -4.71 1.61 5.15 -1.26 -4.91 115.26 116.14 2wad n ASN 405 Ca 0.00 -2.89 -0.43 0.00 -0.60 0.00 0.00 54.58 50.65 2wad n ASN 405 Cb 0.00 -1.38 -0.03 0.00 -0.53 0.00 0.00 39.78 37.85 2wad n ASN 405 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2wad n GLN 406 N 2.02 2.53 -2.80 1.20 7.27 -1.20 -4.34 117.38 122.05 2wad n GLN 406 Ca 0.57 0.91 -0.41 0.00 0.07 0.00 0.00 57.00 58.14 2wad n GLN 406 Cb 0.49 -2.69 -0.05 0.00 2.41 0.00 0.00 30.24 30.40 2wad n GLN 406 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2wad s THR 407 N 0.60 4.46 0.31 1.69 2.01 -1.26 -3.42 115.64 120.03 2wad s THR 407 Ca 0.72 1.96 0.06 0.00 0.31 0.00 0.00 61.69 64.73 2wad s THR 407 Cb -0.56 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 67.62 2wad s THR 407 CO 0.41 0.37 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.94 2wad s LEU 408 N -0.31 2.41 -0.34 4.42 1.43 0.28 -4.91 118.68 121.65 2wad s LEU 408 Ca 0.43 -1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.05 2wad s LEU 408 Cb -0.23 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.43 2wad s LEU 408 CO 0.29 -0.45 0.64 -0.89 0.23 0.00 0.00 176.35 176.16 2wad s THR 409 N -3.09 4.90 -0.17 5.49 2.01 -1.26 -0.05 115.64 123.46 2wad s THR 409 Ca 0.33 0.65 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 2wad s THR 409 Cb 0.06 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2wad s THR 409 CO 0.14 -0.28 1.62 -0.62 -0.69 0.00 0.00 174.62 174.79 2wad s ASP 410 N 1.76 6.47 0.07 3.53 -1.08 0.15 -4.82 116.67 122.75 2wad s ASP 410 Ca 0.25 1.80 -0.26 0.00 -0.52 0.00 0.00 52.55 53.82 2wad s ASP 410 Cb -0.15 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.85 2wad s ASP 410 CO 0.14 -1.15 0.63 0.00 0.52 0.00 0.00 175.17 175.31 2wad s GLN 411 N 4.46 1.18 0.36 4.34 -2.07 -1.26 -1.83 119.66 124.83 2wad s GLN 411 Ca 0.72 -0.17 -0.28 0.00 -1.82 0.00 0.00 55.36 53.80 2wad s GLN 411 Cb -0.27 0.55 -0.11 0.00 -1.09 0.00 0.00 33.01 32.09 2wad s GLN 411 CO 0.28 -0.46 1.47 -2.14 -1.32 0.00 0.00 175.29 173.13 2wad s PRO 412 N -2.67 4.15 -0.33 9.60 0.02 -1.26 -4.70 135.00 139.81 2wad s PRO 412 Ca -0.04 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.39 2wad s PRO 412 Cb -0.01 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2wad s PRO 412 CO -0.03 -0.49 0.18 0.42 -0.33 0.00 0.00 177.00 176.75 2wad s ILE 413 N -0.96 4.70 -0.23 2.83 -1.09 -0.99 -4.91 121.20 120.55 2wad s ILE 413 Ca 0.54 -0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 2wad s ILE 413 Cb -0.46 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2wad s ILE 413 CO 0.59 -0.03 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.51 2wad s VAL 414 N 1.61 2.80 0.03 2.92 1.01 -1.26 -1.50 120.40 126.02 2wad s VAL 414 Ca 0.04 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2wad s VAL 414 Cb -0.18 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2wad s VAL 414 CO 0.07 0.29 0.02 -0.36 0.00 0.00 0.00 175.10 175.12 2wad s PHE 415 N 1.34 3.08 0.11 5.22 0.08 -1.26 -1.98 117.98 124.57 2wad s PHE 415 Ca 0.02 0.07 -0.33 0.00 0.12 0.00 0.00 56.93 56.80 2wad s PHE 415 Cb -0.16 -1.64 -0.13 0.00 -0.57 0.00 0.00 43.02 40.53 2wad s PHE 415 CO -0.06 0.48 1.70 0.94 -0.10 0.00 0.00 175.22 178.18 2wad n GLN 416 N 1.10 2.34 -1.63 0.44 -0.06 -0.89 -2.65 117.38 116.03 2wad n GLN 416 Ca -0.13 0.85 -0.03 0.00 -2.00 0.00 0.00 57.00 55.69 2wad n GLN 416 Cb 0.52 -2.66 -0.01 0.00 -4.06 0.00 0.00 30.24 24.03 2wad n GLN 416 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wad n GLY 417 N 3.82 0.40 3.43 1.69 0.00 -1.26 -4.95 105.19 108.33 2wad n GLY 417 Ca 0.18 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 2wad n GLY 417 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 418 N -2.92 -0.52 0.48 1.61 1.04 -1.08 -5.15 113.70 107.15 2wad s SER 418 Ca 0.00 0.30 -0.24 0.00 0.48 0.00 0.00 55.95 56.49 2wad s SER 418 Cb 0.00 0.52 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 2wad s SER 418 CO 0.00 -0.72 1.39 0.00 0.98 0.00 0.00 173.24 174.89 2wad s ALA 419 N -2.27 3.11 0.42 5.32 0.00 -1.26 -4.49 121.76 122.59 2wad s ALA 419 Ca -0.06 1.40 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 2wad s ALA 419 Cb -0.01 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 2wad s ALA 419 CO -0.00 -1.21 0.99 -2.30 0.00 0.00 0.00 175.76 173.24 2wad n PRO 420 N -0.42 1.30 -3.97 0.00 -0.02 -1.26 -4.77 135.00 125.85 2wad n PRO 420 Ca 0.07 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 2wad n PRO 420 Cb 0.43 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 2wad n PRO 420 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wad s ILE 421 N -1.28 4.71 0.30 4.25 1.01 -0.56 -4.94 121.20 124.70 2wad s ILE 421 Ca 0.63 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 61.33 2wad s ILE 421 Cb -0.56 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 2wad s ILE 421 CO 0.57 0.43 -0.11 -0.31 0.00 0.00 0.00 174.94 175.52 2wad s TYR 422 N 0.61 2.42 0.63 3.97 2.02 -1.26 -2.34 117.35 123.40 2wad s TYR 422 Ca 0.03 -0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.29 2wad s TYR 422 Cb -0.13 -1.18 0.14 0.00 -0.40 0.00 0.00 41.96 40.38 2wad s TYR 422 CO 0.01 0.64 0.85 0.43 -1.57 0.00 0.00 175.55 175.92 2wad n SER 423 N -0.75 0.41 0.26 2.29 7.64 -1.26 -4.76 113.62 117.44 2wad n SER 423 Ca -0.05 -1.52 0.11 0.00 1.01 0.00 0.00 58.87 58.42 2wad n SER 423 Cb 0.61 -0.62 0.69 0.00 -1.01 0.00 0.00 64.21 63.87 2wad n SER 423 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2wad h TRP 424 N -1.16 0.00 -0.08 1.43 5.08 -1.90 -2.31 115.95 117.01 2wad h TRP 424 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 2wad h TRP 424 Cb 0.85 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 2wad h TRP 424 CO 0.00 0.13 0.00 2.48 -1.28 0.00 0.00 178.44 179.77 2wad n TYR 425 N -3.76 0.09 0.00 0.12 4.11 -1.26 -5.00 117.16 111.46 2wad n TYR 425 Ca -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 2wad n TYR 425 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.58 2wad n TYR 425 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wad n LYS 426 N -0.03 0.00 0.00 -3.48 4.76 -0.87 -1.79 118.16 116.75 2wad n LYS 426 Ca 0.18 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.73 2wad n LYS 426 Cb 0.28 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.54 2wad n LYS 426 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wad n LEU 427 N 0.00 2.75 -0.32 -0.35 4.77 -1.26 -4.70 117.00 117.89 2wad n LEU 427 Ca 0.00 -0.95 0.14 0.00 -0.03 0.00 0.00 56.01 55.18 2wad n LEU 427 Cb 0.00 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.42 2wad n LEU 427 CO 0.00 0.47 1.11 0.00 -1.33 0.00 0.00 177.39 177.64 2wad h ALA 428 N 4.45 1.58 -0.34 -1.18 0.00 -1.78 0.15 119.26 122.14 2wad h ALA 428 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2wad h ALA 428 Cb 0.93 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2wad h ALA 428 CO 0.00 -0.27 0.02 0.66 0.00 0.00 0.00 179.25 179.66 2wad n TYR 429 N -4.95 1.15 -3.82 0.00 4.01 -1.26 -5.09 117.16 107.21 2wad n TYR 429 Ca 0.24 -1.10 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 2wad n TYR 429 Cb 0.66 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2wad n TYR 429 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wad n GLY 430 N -0.65 2.25 3.65 2.72 0.00 0.04 -4.65 105.19 108.54 2wad n GLY 430 Ca 0.27 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 2wad n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wad s SER 431 N -4.00 4.75 -0.11 1.61 0.01 -1.26 -4.86 113.70 109.83 2wad s SER 431 Ca 0.00 -0.32 -0.30 0.00 1.31 0.00 0.00 55.95 56.64 2wad s SER 431 Cb 0.00 -1.02 0.12 0.00 0.21 0.00 0.00 66.02 65.32 2wad s SER 431 CO 0.00 0.15 0.96 0.72 0.41 0.00 0.00 173.24 175.48 2wad s PHE 432 N -1.42 -0.37 0.61 2.43 -0.71 -0.76 -4.99 117.98 112.77 2wad s PHE 432 Ca 0.25 0.51 -0.17 0.00 -1.04 0.00 0.00 56.93 56.48 2wad s PHE 432 Cb -0.11 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2wad s PHE 432 CO 0.17 -0.41 1.11 -1.25 -1.34 0.00 0.00 175.22 173.50 2wad s PRO 433 N -1.76 3.09 -0.24 1.99 0.04 -1.26 0.31 135.00 137.16 2wad s PRO 433 Ca 0.00 1.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 2wad s PRO 433 Cb -0.01 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2wad s PRO 433 CO -0.01 -1.03 0.58 -1.50 0.04 0.00 0.00 177.00 175.08 2wad s ILE 434 N -2.17 -0.01 0.73 0.56 2.07 0.92 -4.76 121.20 118.54 2wad s ILE 434 Ca 0.68 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.86 2wad s ILE 434 Cb -0.21 -0.85 0.05 0.00 0.13 0.00 0.00 42.46 41.59 2wad s ILE 434 CO 0.35 0.01 1.08 0.42 -1.91 0.00 0.00 174.94 174.90 2wad s THR 435 N 1.47 2.61 0.16 4.00 -4.23 -1.26 -0.56 115.64 117.83 2wad s THR 435 Ca -0.09 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 2wad s THR 435 Cb -0.06 -3.16 0.04 0.00 1.34 0.00 0.00 72.50 70.66 2wad s THR 435 CO -0.16 -0.20 1.74 0.00 -0.54 0.00 0.00 174.62 175.46 2wad h ALA 436 N -0.74 0.44 -0.84 3.99 0.00 -1.75 0.44 119.26 120.80 2wad h ALA 436 Ca -0.45 0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.66 2wad h ALA 436 Cb 1.30 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 2wad h ALA 436 CO 0.63 -0.28 0.44 0.28 0.00 0.00 0.00 179.25 180.32 2wad h VAL 437 N 0.26 0.75 -0.02 0.00 2.07 -1.91 -2.13 116.25 115.28 2wad h VAL 437 Ca 0.18 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.25 2wad h VAL 437 Cb 0.19 0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2wad h VAL 437 CO -0.21 0.12 -0.90 -0.33 0.02 0.00 0.00 177.57 176.27 2wad h GLU 438 N 0.65 0.64 -0.68 1.57 5.08 -1.70 -1.79 114.58 118.36 2wad h GLU 438 Ca 0.45 -0.67 0.15 0.00 -1.00 0.00 0.00 59.36 58.29 2wad h GLU 438 Cb 0.61 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 2wad h GLU 438 CO -0.35 1.26 0.05 0.00 -1.00 0.00 0.00 179.01 178.98 2wad h ALA 439 N 0.40 0.74 -0.57 3.43 0.00 0.27 0.21 119.26 123.74 2wad h ALA 439 Ca -0.11 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2wad h ALA 439 Cb 1.56 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2wad h ALA 439 CO 0.18 -0.38 -0.05 -0.07 0.00 0.00 0.00 179.25 178.93 2wad h LEU 440 N 0.15 1.02 -0.34 0.00 3.38 -1.24 0.16 115.31 118.43 2wad h LEU 440 Ca 0.37 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wad h LEU 440 Cb 0.61 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2wad h LEU 440 CO -0.55 1.09 0.12 -0.08 0.09 0.00 0.00 178.44 179.11 2wad h GLU 441 N 0.93 0.52 -0.00 1.13 4.81 -0.14 -3.02 114.58 118.80 2wad h GLU 441 Ca 0.16 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2wad h GLU 441 Cb 0.60 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2wad h GLU 441 CO 0.04 0.53 -0.42 0.66 -0.73 0.00 0.00 179.01 179.08 2wad n TYR 442 N -4.68 0.00 -3.52 0.92 4.01 0.56 -2.40 117.16 112.05 2wad n TYR 442 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 2wad n TYR 442 Cb 0.15 -0.20 0.08 0.00 -0.31 0.00 0.00 39.34 39.06 2wad n TYR 442 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wad n SER 443 N -1.20 -3.76 -4.69 7.72 2.88 0.42 -4.88 113.62 110.10 2wad n SER 443 Ca 0.08 -0.60 -0.43 0.00 -1.33 0.00 0.00 58.87 56.58 2wad n SER 443 Cb 0.34 -5.02 -0.03 0.00 -0.75 0.00 0.00 64.21 58.74 2wad n SER 443 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2wad n SER 444 N -3.08 3.89 0.14 -3.46 2.88 -0.41 -4.74 113.62 108.84 2wad n SER 444 Ca -0.17 0.99 0.05 0.00 -1.33 0.00 0.00 58.87 58.42 2wad n SER 444 Cb 0.62 -1.51 0.04 0.00 -0.75 0.00 0.00 64.21 62.61 2wad n SER 444 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2wad h ASN 445 N 8.43 0.00 -0.22 -3.46 2.35 -1.91 -3.35 115.58 117.42 2wad h ASN 445 Ca -0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.27 2wad h ASN 445 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 2wad h ASN 445 CO 0.94 0.36 0.07 0.00 -1.65 0.00 0.00 177.43 177.14 2wad h ALA 446 N 1.64 0.28 -0.32 -0.83 0.00 -1.90 -2.26 119.26 115.88 2wad h ALA 446 Ca -0.03 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wad h ALA 446 Cb 1.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2wad h ALA 446 CO 0.04 -0.09 0.12 -0.92 0.00 0.00 0.00 179.25 178.40 2wad h TYR 447 N 0.18 0.21 0.00 0.00 3.20 -1.88 -1.85 116.97 116.83 2wad h TYR 447 Ca 0.07 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 2wad h TYR 447 Cb 0.24 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2wad h TYR 447 CO 0.00 0.10 -0.62 -0.39 -1.64 0.00 0.00 178.16 175.61 2wad h VAL 448 N 0.26 1.15 -0.21 1.81 -1.51 -1.69 -2.36 116.25 113.71 2wad h VAL 448 Ca 0.14 -2.37 -0.21 0.00 -1.23 0.00 0.00 66.70 63.03 2wad h VAL 448 Cb 0.10 2.39 0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2wad h VAL 448 CO -0.14 0.60 -0.68 0.58 -1.23 0.00 0.00 177.57 176.71 2wad h VAL 449 N 0.00 1.28 -0.42 7.19 2.07 -1.35 -2.38 116.25 122.65 2wad h VAL 449 Ca -0.01 -1.87 -0.11 0.00 0.82 0.00 0.00 66.70 65.53 2wad h VAL 449 Cb 1.34 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 2wad h VAL 449 CO 0.08 0.60 -0.20 1.56 0.02 0.00 0.00 177.57 179.63 2wad h GLN 450 N 0.58 0.81 -0.32 1.57 4.20 -1.35 -2.03 115.11 118.58 2wad h GLN 450 Ca -0.03 -0.32 0.06 0.00 0.06 0.00 0.00 58.65 58.43 2wad h GLN 450 Cb 1.30 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.99 2wad h GLN 450 CO 0.14 0.94 -0.03 1.15 -0.67 0.00 0.00 178.83 180.36 2wad h THR 451 N 0.71 0.73 -0.08 -0.54 2.02 -1.43 -1.66 112.91 112.67 2wad h THR 451 Ca 0.10 -0.02 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 2wad h THR 451 Cb 0.71 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2wad h THR 451 CO 0.05 0.01 -0.49 0.00 0.37 0.00 0.00 175.52 175.46 2wad h ALA 452 N 1.29 1.03 -0.43 6.16 0.00 -1.31 -1.72 119.26 124.28 2wad h ALA 452 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wad h ALA 452 Cb 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wad h ALA 452 CO -0.29 0.64 0.28 1.25 0.00 0.00 0.00 179.25 181.14 2wad h LEU 453 N 0.16 0.49 -0.56 0.00 5.85 -1.09 -2.16 115.31 117.99 2wad h LEU 453 Ca 0.01 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.81 2wad h LEU 453 Cb 0.93 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.75 2wad h LEU 453 CO 0.07 0.37 0.10 1.23 -0.34 0.00 0.00 178.44 179.87 2wad h GLY 454 N 0.58 0.69 2.00 3.75 0.00 -0.84 -1.04 103.07 108.20 2wad h GLY 454 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2wad h GLY 454 CO -0.03 -0.11 -0.09 -2.22 0.00 0.00 0.00 176.54 174.09 2wad h ILE 455 N 0.23 0.62 -0.00 2.60 2.04 -0.96 0.62 117.51 122.66 2wad h ILE 455 Ca 0.29 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2wad h ILE 455 Cb 0.43 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2wad h ILE 455 CO -0.39 0.09 -0.02 0.80 0.00 0.00 0.00 178.15 178.63 2wad n MET 456 N -3.79 0.66 -1.23 2.37 1.56 -0.47 -4.65 117.12 111.58 2wad n MET 456 Ca -0.02 -0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.35 2wad n MET 456 Cb 0.19 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.06 2wad n MET 456 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2wad n GLY 457 N 1.20 1.03 3.04 -5.12 0.00 0.22 -4.73 105.19 100.83 2wad n GLY 457 Ca 0.17 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2wad n GLY 457 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wad s GLN 458 N -2.79 0.48 -0.05 1.61 0.74 -0.78 -4.98 119.66 113.89 2wad s GLN 458 Ca 0.00 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.74 2wad s GLN 458 Cb 0.00 -0.24 -0.03 0.00 1.10 0.00 0.00 33.01 33.83 2wad s GLN 458 CO 0.00 0.04 0.01 0.99 -0.55 0.00 0.00 175.29 175.78 2wad s THR 459 N -1.24 4.27 -0.16 -0.34 2.01 -1.26 -2.60 115.64 116.33 2wad s THR 459 Ca -0.09 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 2wad s THR 459 Cb -0.09 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.56 2wad s THR 459 CO 0.00 0.49 1.15 -0.47 -0.69 0.00 0.00 174.62 175.11 2wad s TYR 460 N -0.99 3.14 -0.06 4.92 5.04 -1.26 -5.02 117.35 123.12 2wad s TYR 460 Ca 0.17 1.25 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 2wad s TYR 460 Cb -0.11 -3.38 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2wad s TYR 460 CO 0.06 -1.09 -0.18 -0.65 -1.34 0.00 0.00 175.55 172.36 2wad s GLN 461 N 3.01 2.05 0.40 4.97 -1.52 -1.26 -5.11 119.66 122.19 2wad s GLN 461 Ca 0.51 -0.62 -0.26 0.00 -1.95 0.00 0.00 55.36 53.04 2wad s GLN 461 Cb -0.20 -1.69 -0.11 0.00 -0.22 0.00 0.00 33.01 30.80 2wad s GLN 461 CO 0.14 0.18 1.18 -2.30 -0.25 0.00 0.00 175.29 174.23 2wad n PRO 462 N 3.40 1.76 -0.69 2.91 -0.02 -1.26 -2.18 135.00 138.92 2wad n PRO 462 Ca -0.20 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2wad n PRO 462 Cb 0.53 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2wad n PRO 462 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wad n ASN 463 N 0.47 0.00 -4.59 2.55 3.02 -0.84 -4.98 115.26 110.89 2wad n ASN 463 Ca 0.07 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.15 2wad n ASN 463 Cb 0.38 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2wad n ASN 463 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 2wad n MET 464 N -2.00 1.31 -2.38 3.52 0.00 -0.93 -3.92 117.12 112.73 2wad n MET 464 Ca 0.00 0.46 -0.41 0.00 0.00 0.00 0.00 57.70 57.75 2wad n MET 464 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 33.22 31.24 2wad n MET 464 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2wad s PHE 465 N -0.41 3.43 -0.16 3.17 0.08 -1.26 -2.09 117.98 120.75 2wad s PHE 465 Ca 0.69 1.42 -0.05 0.00 0.12 0.00 0.00 56.93 59.10 2wad s PHE 465 Cb -0.79 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.20 2wad s PHE 465 CO 0.54 -1.19 0.00 0.08 -0.10 0.00 0.00 175.22 174.55 2wad s VAL 466 N 0.04 4.25 0.06 -0.44 1.01 -1.26 -5.02 120.40 119.04 2wad s VAL 466 Ca 0.53 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2wad s VAL 466 Cb -0.32 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 2wad s VAL 466 CO 0.36 0.49 0.98 -0.83 0.00 0.00 0.00 175.10 176.10 2wad s GLY 467 N 0.31 2.94 -0.24 4.51 0.00 -1.26 -4.94 107.32 108.63 2wad s GLY 467 Ca -0.01 0.58 0.14 0.00 0.00 0.00 0.00 44.72 45.43 2wad s GLY 467 CO 0.02 1.59 1.66 -1.30 0.00 0.00 0.00 173.10 175.07 2wad n THR 468 N 3.29 2.67 -0.29 0.90 -2.24 -1.26 -4.53 114.28 112.82 2wad n THR 468 Ca 0.04 -1.66 0.01 0.00 -2.27 0.00 0.00 64.05 60.17 2wad n THR 468 Cb 0.50 -0.29 0.14 0.00 -2.10 0.00 0.00 70.33 68.57 2wad n THR 468 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wad h SER 469 N 2.94 0.75 -0.76 3.42 4.64 -1.97 -2.87 113.55 119.70 2wad h SER 469 Ca 0.07 0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.15 2wad h SER 469 Cb 1.90 -0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 63.71 2wad h SER 469 CO 0.47 0.47 0.34 0.59 -0.87 0.00 0.00 176.83 177.83 2wad n ASN 470 N -4.68 4.51 0.27 4.97 3.02 -1.26 -4.66 115.26 117.43 2wad n ASN 470 Ca 0.12 -3.23 -0.13 0.00 -0.03 0.00 0.00 54.58 51.31 2wad n ASN 470 Cb 0.20 -0.76 -0.07 0.00 -0.61 0.00 0.00 39.78 38.54 2wad n ASN 470 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wad h LEU 471 N 2.25 -0.62 -1.51 3.41 5.85 -1.82 -2.60 115.31 120.27 2wad h LEU 471 Ca 0.33 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.09 2wad h LEU 471 Cb 2.38 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 43.53 2wad h LEU 471 CO 0.78 -0.23 0.42 -0.33 -0.34 0.00 0.00 178.44 178.75 2wad h GLU 472 N -1.10 0.56 -0.06 1.25 5.08 -1.83 -0.69 114.58 117.79 2wad h GLU 472 Ca -0.07 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 2wad h GLU 472 Cb 0.62 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2wad h GLU 472 CO 0.12 0.37 -0.51 1.03 -1.00 0.00 0.00 179.01 179.02 2wad h SER 473 N 0.58 0.55 -0.56 1.42 0.87 -1.89 -2.16 113.55 112.36 2wad h SER 473 Ca 0.28 -0.69 -0.03 0.00 -1.23 0.00 0.00 61.79 60.12 2wad h SER 473 Cb 0.35 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2wad h SER 473 CO -0.09 1.16 0.22 0.00 -0.53 0.00 0.00 176.83 177.59 2wad h ALA 474 N 0.41 0.73 -0.31 6.23 0.00 -1.02 -1.23 119.26 124.06 2wad h ALA 474 Ca -0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2wad h ALA 474 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2wad h ALA 474 CO 0.10 0.35 0.09 1.98 0.00 0.00 0.00 179.25 181.77 2wad h MET 475 N 0.77 0.49 -0.68 0.00 -1.53 -1.20 -1.15 114.93 111.64 2wad h MET 475 Ca 0.19 -0.11 0.14 0.00 -3.44 0.00 0.00 59.70 56.48 2wad h MET 475 Cb 0.21 -0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 31.08 2wad h MET 475 CO -0.01 0.55 0.06 0.78 0.14 0.00 0.00 176.91 178.43 2wad h GLY 476 N 0.35 0.81 1.55 1.39 0.00 -1.25 -0.06 103.07 105.86 2wad h GLY 476 Ca 0.10 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 2wad h GLY 476 CO -0.00 -0.21 -0.35 0.50 0.00 0.00 0.00 176.54 176.48 2wad h LYS 477 N 0.17 0.50 0.27 4.80 1.57 -0.82 -0.90 116.57 122.16 2wad h LYS 477 Ca 0.37 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2wad h LYS 477 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wad h LYS 477 CO -0.54 0.79 -0.13 1.25 -0.57 0.00 0.00 179.45 180.25 2wad h LEU 478 N 0.43 -0.30 -2.34 2.94 5.85 -0.80 -2.70 115.31 118.38 2wad h LEU 478 Ca 0.05 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2wad h LEU 478 Cb 0.81 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2wad h LEU 478 CO 0.07 0.11 -0.04 0.03 -0.34 0.00 0.00 178.44 178.26 2wad h ARG 479 N -0.77 0.00 -0.07 1.25 3.08 -0.98 -1.03 114.38 115.85 2wad h ARG 479 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2wad h ARG 479 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2wad h ARG 479 CO 0.06 0.04 -0.19 1.03 -1.07 0.00 0.00 179.97 179.84 2wad h SER 480 N 0.00 0.30 -0.26 7.04 0.87 -1.14 -0.36 113.55 119.99 2wad h SER 480 Ca -0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 2wad h SER 480 Cb 0.17 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2wad h SER 480 CO 0.01 0.84 0.17 0.74 -0.53 0.00 0.00 176.83 178.05 2wad h THR 481 N -0.23 1.09 -0.42 2.23 2.02 -1.02 -2.52 112.91 114.05 2wad h THR 481 Ca -0.00 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 67.06 2wad h THR 481 Cb 0.80 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 2wad h THR 481 CO 0.04 0.08 0.06 -0.26 0.37 0.00 0.00 175.52 175.82 2wad h PHE 482 N 0.34 0.10 -0.88 3.16 0.04 -1.23 -0.59 116.94 117.87 2wad h PHE 482 Ca 0.10 0.03 0.23 0.00 2.80 0.00 0.00 57.97 61.13 2wad h PHE 482 Cb -0.01 0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 2wad h PHE 482 CO -0.05 -0.02 0.61 0.78 -0.60 0.00 0.00 178.31 179.04 2wad h GLY 483 N 0.19 0.35 2.00 -1.45 0.00 -0.70 -0.45 103.07 103.01 2wad h GLY 483 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2wad h GLY 483 CO -0.29 -0.01 0.00 0.83 0.00 0.00 0.00 176.54 177.07 2wad h GLU 484 N 0.16 0.00 -0.01 4.80 5.08 -0.67 -2.09 114.58 121.85 2wad h GLU 484 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2wad h GLU 484 Cb 1.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.73 2wad h GLU 484 CO -0.08 0.00 -0.47 0.66 -1.00 0.00 0.00 179.01 178.13 2wad n TYR 485 N -3.06 0.00 -0.26 4.33 4.01 -0.26 -4.74 117.16 117.19 2wad n TYR 485 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 2wad n TYR 485 Cb 0.31 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2wad n TYR 485 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wad n GLY 486 N 1.41 0.74 3.45 2.72 0.00 -0.78 -2.32 105.19 110.41 2wad n GLY 486 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2wad n GLY 486 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wad s LEU 487 N 0.00 4.44 0.00 0.99 1.43 -0.69 -3.82 118.68 121.03 2wad s LEU 487 Ca 0.00 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2wad s LEU 487 Cb 0.00 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2wad s LEU 487 CO 0.00 -1.39 0.00 0.61 0.23 0.00 0.00 176.35 175.80 2wad n GLY 488 N 5.30 0.34 3.62 -3.19 0.00 -1.26 -2.42 105.19 107.59 2wad n GLY 488 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2wad n GLY 488 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wad s SER 489 N -2.06 4.06 0.35 1.61 1.04 -1.25 -4.79 113.70 112.66 2wad s SER 489 Ca 0.00 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 2wad s SER 489 Cb 0.00 -0.46 -0.11 0.00 0.10 0.00 0.00 66.02 65.55 2wad s SER 489 CO 0.00 -0.30 1.46 0.00 0.98 0.00 0.00 173.24 175.38 2wad s ALA 490 N -2.58 3.59 -0.15 5.32 0.00 -1.26 -4.86 121.76 121.82 2wad s ALA 490 Ca 0.35 1.50 0.16 0.00 0.00 0.00 0.00 51.96 53.97 2wad s ALA 490 Cb 0.03 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2wad s ALA 490 CO 0.19 -0.94 1.19 1.79 0.00 0.00 0.00 175.76 177.98 2wad h THR 491 N 3.08 0.66 0.00 0.00 1.35 -1.91 -3.48 112.91 112.61 2wad h THR 491 Ca -0.50 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 2wad h THR 491 Cb 1.23 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 2wad h THR 491 CO 0.67 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.93 2wad n GLY 492 N 1.28 0.84 3.78 5.82 0.00 -1.26 -4.17 105.19 111.48 2wad n GLY 492 Ca -0.02 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 2wad n GLY 492 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wad s ILE 493 N -2.00 3.79 -1.09 -0.61 2.07 -1.26 -4.55 121.20 117.54 2wad s ILE 493 Ca 0.00 1.39 -0.07 0.00 -1.41 0.00 0.00 60.65 60.56 2wad s ILE 493 Cb 0.00 -3.73 -0.07 0.00 0.13 0.00 0.00 42.46 38.79 2wad s ILE 493 CO 0.00 0.03 2.38 -0.90 -1.91 0.00 0.00 174.94 174.54 2wad n ASP 494 N 0.05 6.03 -4.09 4.50 5.75 -1.25 -4.77 116.55 122.78 2wad n ASP 494 Ca 0.04 -2.39 -0.14 0.00 -0.01 0.00 0.00 54.79 52.30 2wad n ASP 494 Cb 0.50 -1.23 -0.11 0.00 -1.03 0.00 0.00 41.12 39.24 2wad n ASP 494 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2wad s LEU 495 N 0.11 2.28 0.18 -2.12 1.43 -1.26 -4.83 118.68 114.47 2wad s LEU 495 Ca 0.49 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 2wad s LEU 495 Cb 0.13 -0.22 0.15 0.00 0.03 0.00 0.00 46.19 46.28 2wad s LEU 495 CO -0.04 -0.20 1.74 -0.65 0.23 0.00 0.00 176.35 177.42 2wad h PRO 496 N 4.32 0.27 -3.51 1.29 0.11 -1.86 -3.43 132.00 129.19 2wad h PRO 496 Ca -0.37 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.33 2wad h PRO 496 Cb 1.20 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 31.86 2wad h PRO 496 CO 0.43 0.18 -0.75 -0.51 -0.21 0.00 0.00 178.00 177.14 2wad s ASP 497 N -5.35 1.34 0.10 -2.05 1.11 -1.26 -5.13 116.67 105.43 2wad s ASP 497 Ca -0.13 -0.00 0.10 0.00 0.18 0.00 0.00 52.55 52.70 2wad s ASP 497 Cb 0.14 -0.29 -0.04 0.00 1.07 0.00 0.00 42.92 43.81 2wad s ASP 497 CO 0.72 -0.22 -0.26 -1.83 1.18 0.00 0.00 175.17 174.77 2wad s GLU 498 N 2.04 1.47 0.51 8.23 -1.05 -1.26 -4.88 118.70 123.77 2wad s GLU 498 Ca 0.05 -1.25 -0.21 0.00 -0.15 0.00 0.00 54.97 53.40 2wad s GLU 498 Cb -0.12 -1.84 -0.06 0.00 -0.44 0.00 0.00 34.13 31.66 2wad s GLU 498 CO -0.04 0.45 1.19 0.45 0.95 0.00 0.00 175.26 178.26 2wad s SER 499 N -1.79 5.77 -0.06 0.83 0.15 -0.65 -4.96 113.70 112.99 2wad s SER 499 Ca 0.12 2.35 0.09 0.00 0.70 0.00 0.00 55.95 59.21 2wad s SER 499 Cb -0.10 -2.60 0.20 0.00 -1.71 0.00 0.00 66.02 61.81 2wad s SER 499 CO 0.05 -1.19 1.14 0.35 1.20 0.00 0.00 173.24 174.79 2wad n THR 500 N -0.95 1.39 0.00 6.45 -2.24 -1.26 -4.87 114.28 112.80 2wad n THR 500 Ca 0.10 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2wad n THR 500 Cb 0.49 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2wad n THR 500 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wad n GLY 501 N -0.53 1.13 3.26 3.38 0.00 -1.26 -4.05 105.19 107.12 2wad n GLY 501 Ca 0.09 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2wad n GLY 501 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wad s LEU 502 N 0.00 6.04 -0.72 0.99 1.43 0.11 -4.97 118.68 121.56 2wad s LEU 502 Ca 0.00 -2.16 -0.04 0.00 -1.03 0.00 0.00 54.13 50.90 2wad s LEU 502 Cb 0.00 -2.10 0.18 0.00 0.03 0.00 0.00 46.19 44.30 2wad s LEU 502 CO 0.00 -0.68 0.57 -0.69 0.23 0.00 0.00 176.35 175.78 2wad s VAL 503 N 1.00 4.17 0.26 -1.59 1.01 -1.26 -2.69 120.40 121.31 2wad s VAL 503 Ca 0.09 -3.08 -0.30 0.00 0.00 0.00 0.00 61.98 58.69 2wad s VAL 503 Cb -0.23 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.38 2wad s VAL 503 CO -0.02 -0.95 1.53 -2.84 0.00 0.00 0.00 175.10 172.82 2wad s PRO 504 N -0.31 4.19 0.21 2.72 0.02 -1.26 -4.89 135.00 135.68 2wad s PRO 504 Ca 0.19 2.44 0.25 0.00 0.02 0.00 0.00 61.00 63.90 2wad s PRO 504 Cb -0.16 -3.07 0.51 0.00 0.02 0.00 0.00 34.50 31.80 2wad s PRO 504 CO -0.06 -0.54 1.53 0.87 -0.33 0.00 0.00 177.00 178.47 2wad h LYS 505 N 5.15 0.00 -5.53 5.54 1.79 -2.05 -3.43 116.57 118.04 2wad h LYS 505 Ca -0.46 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.36 2wad h LYS 505 Cb 1.22 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.66 2wad h LYS 505 CO 0.80 0.00 -0.67 -2.00 -1.08 0.00 0.00 179.45 176.51 2wad s GLU 506 N -3.16 3.43 0.10 3.15 2.12 -1.26 -5.09 118.70 118.00 2wad s GLU 506 Ca 0.08 -0.51 -0.26 0.00 0.36 0.00 0.00 54.97 54.64 2wad s GLU 506 Cb 0.11 -2.84 0.08 0.00 0.26 0.00 0.00 34.13 31.74 2wad s GLU 506 CO 0.67 0.37 0.88 1.52 -0.54 0.00 0.00 175.26 178.16 2wad s TYR 507 N 0.01 -0.26 0.00 5.30 1.13 -1.26 -5.15 117.35 117.12 2wad s TYR 507 Ca 0.01 0.01 0.00 0.00 -1.41 0.00 0.00 57.07 55.68 2wad s TYR 507 Cb -0.13 0.60 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 2wad s TYR 507 CO 0.03 -0.76 0.00 0.27 -2.51 0.00 0.00 175.55 172.58 2wad n ASN 508 N -0.38 1.20 0.16 -0.18 0.23 -1.26 -5.02 115.26 110.01 2wad n ASN 508 Ca -0.08 -0.78 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 2wad n ASN 508 Cb 0.61 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.58 2wad n ASN 508 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2wad h PHE 509 N 0.78 0.02 -0.05 -2.53 3.57 -1.99 -1.85 116.94 114.88 2wad h PHE 509 Ca 0.00 -0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 2wad h PHE 509 Cb 0.00 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 2wad h PHE 509 CO 0.00 0.50 -0.80 0.00 -2.23 0.00 0.00 178.31 175.78 2wad h ALA 510 N 1.50 0.53 -0.19 2.41 0.00 -1.99 -2.48 119.26 119.04 2wad h ALA 510 Ca -0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 2wad h ALA 510 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2wad h ALA 510 CO 0.06 0.79 -0.30 -0.91 0.00 0.00 0.00 179.25 178.89 2wad h ASN 511 N 0.25 0.39 0.25 0.00 2.35 -1.89 -1.66 115.58 115.27 2wad h ASN 511 Ca -0.04 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 2wad h ASN 511 Cb 1.39 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.66 2wad h ASN 511 CO 0.14 0.69 -0.12 0.15 -1.65 0.00 0.00 177.43 176.63 2wad h PHE 512 N 0.34 -0.31 -0.76 1.19 3.57 -1.21 -1.55 116.94 118.21 2wad h PHE 512 Ca 0.04 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2wad h PHE 512 Cb 0.71 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 2wad h PHE 512 CO 0.02 -0.05 0.47 0.82 -2.23 0.00 0.00 178.31 177.33 2wad h ILE 513 N -0.53 1.05 -0.01 1.41 1.08 -1.44 -2.54 117.51 116.53 2wad h ILE 513 Ca -0.03 -0.30 -0.15 0.00 -0.39 0.00 0.00 64.86 63.98 2wad h ILE 513 Cb 0.39 0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 2wad h ILE 513 CO 0.06 0.16 -0.70 0.71 -0.69 0.00 0.00 178.15 177.68 2wad h THR 514 N 0.88 1.48 -0.71 -0.27 1.35 -1.36 -2.78 112.91 111.50 2wad h THR 514 Ca 0.32 -2.35 0.11 0.00 -0.55 0.00 0.00 66.41 63.94 2wad h THR 514 Cb 0.10 2.26 -0.05 0.00 -1.73 0.00 0.00 68.15 68.74 2wad h THR 514 CO -0.15 0.68 0.47 -1.13 -0.25 0.00 0.00 175.52 175.14 2wad h ASN 515 N 0.04 0.50 0.30 5.36 -1.24 -0.86 0.41 115.58 120.09 2wad h ASN 515 Ca -0.01 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.99 2wad h ASN 515 Cb 1.24 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 2wad h ASN 515 CO 0.10 0.29 -0.13 0.00 -1.29 0.00 0.00 177.43 176.40 2wad h ALA 516 N 1.65 1.40 -0.41 1.57 0.00 -1.27 -2.11 119.26 120.09 2wad h ALA 516 Ca 0.33 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 2wad h ALA 516 Cb 0.55 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 2wad h ALA 516 CO -0.11 0.17 -0.19 1.97 0.00 0.00 0.00 179.25 181.08 2wad n PHE 517 N -3.83 1.33 -2.22 0.00 -1.74 -0.62 -4.69 117.46 105.69 2wad n PHE 517 Ca -0.02 -1.79 -0.09 0.00 -0.56 0.00 0.00 57.45 55.00 2wad n PHE 517 Cb 0.23 -0.50 -0.00 0.00 1.52 0.00 0.00 39.48 40.73 2wad n PHE 517 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2wad n GLY 518 N -1.05 0.04 0.63 4.97 0.00 -0.79 -4.07 105.19 104.92 2wad n GLY 518 Ca 0.35 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.91 2wad n GLY 518 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wad n GLN 519 N -1.86 1.68 0.06 1.61 1.13 0.04 -1.43 117.38 118.61 2wad n GLN 519 Ca -0.09 -3.08 0.00 0.00 -1.94 0.00 0.00 57.00 51.89 2wad n GLN 519 Cb 0.57 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 29.27 2wad n GLN 519 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2wad n PHE 520 N -1.15 -0.90 -2.34 1.08 7.35 -1.26 -4.61 117.46 115.63 2wad n PHE 520 Ca 0.22 0.16 -0.38 0.00 -0.76 0.00 0.00 57.45 56.69 2wad n PHE 520 Cb 0.78 0.43 -0.02 0.00 0.35 0.00 0.00 39.48 41.01 2wad n PHE 520 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2wad s ASP 521 N -4.64 6.58 -0.13 -2.13 1.01 -1.26 -4.98 116.67 111.13 2wad s ASP 521 Ca 0.00 2.30 -0.03 0.00 0.71 0.00 0.00 52.55 55.53 2wad s ASP 521 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2wad s ASP 521 CO 0.00 -0.63 -0.03 0.20 0.21 0.00 0.00 175.17 174.92 2wad s ASN 522 N -1.19 4.88 0.32 0.27 0.02 -1.09 -4.36 114.94 113.79 2wad s ASN 522 Ca 0.57 -0.05 0.10 0.00 -1.02 0.00 0.00 52.86 52.46 2wad s ASN 522 Cb -0.29 -1.63 -0.06 0.00 0.02 0.00 0.00 41.25 39.29 2wad s ASN 522 CO 0.37 0.24 -0.12 -0.31 0.02 0.00 0.00 177.10 177.30 2wad s TYR 523 N -0.07 2.35 0.51 2.20 2.02 -0.51 -0.71 117.35 123.13 2wad s TYR 523 Ca 0.02 -0.46 -0.17 0.00 -0.37 0.00 0.00 57.07 56.09 2wad s TYR 523 Cb -0.13 -1.26 -0.08 0.00 -0.40 0.00 0.00 41.96 40.09 2wad s TYR 523 CO 0.02 0.61 0.98 0.95 -1.57 0.00 0.00 175.55 176.55 2wad s THR 524 N -2.60 4.52 0.32 -0.71 -4.23 -1.25 -1.17 115.64 110.53 2wad s THR 524 Ca 0.32 1.23 0.11 0.00 -1.18 0.00 0.00 61.69 62.16 2wad s THR 524 Cb 0.00 -3.71 0.32 0.00 1.34 0.00 0.00 72.50 70.45 2wad s THR 524 CO 0.16 -0.66 1.68 -0.65 -0.54 0.00 0.00 174.62 174.60 2wad h PRO 525 N 0.99 0.35 -0.43 3.99 0.11 -1.72 -2.22 132.00 133.07 2wad h PRO 525 Ca -0.47 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2wad h PRO 525 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2wad h PRO 525 CO 0.61 0.23 -0.14 1.98 -0.21 0.00 0.00 178.00 180.48 2wad h MET 526 N 0.36 0.85 -0.24 1.05 1.85 -1.55 -1.85 114.93 115.40 2wad h MET 526 Ca 0.67 -0.34 0.04 0.00 -0.61 0.00 0.00 59.70 59.46 2wad h MET 526 Cb 1.45 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 33.40 2wad h MET 526 CO -0.58 0.98 0.02 1.96 -0.40 0.00 0.00 176.91 178.89 2wad h GLN 527 N 0.67 0.10 -0.72 0.39 4.20 -1.71 -1.49 115.11 116.56 2wad h GLN 527 Ca 0.10 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2wad h GLN 527 Cb 0.69 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 2wad h GLN 527 CO 0.05 0.07 0.47 -0.07 -0.67 0.00 0.00 178.83 178.68 2wad h LEU 528 N 0.11 0.75 -0.56 1.46 3.38 -1.19 -0.01 115.31 119.26 2wad h LEU 528 Ca 0.11 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2wad h LEU 528 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wad h LEU 528 CO -0.17 0.52 -0.42 0.00 0.09 0.00 0.00 178.44 178.45 2wad h ALA 529 N 1.58 0.74 -0.39 1.53 0.00 -1.01 -2.34 119.26 119.37 2wad h ALA 529 Ca 0.29 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2wad h ALA 529 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2wad h ALA 529 CO -0.08 0.66 0.20 0.37 0.00 0.00 0.00 179.25 180.41 2wad h GLN 530 N 0.55 0.55 -0.42 0.00 4.15 -0.53 0.44 115.11 119.85 2wad h GLN 530 Ca 0.04 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2wad h GLN 530 Cb 0.96 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.47 2wad h GLN 530 CO 0.09 0.46 -0.50 -0.92 -1.93 0.00 0.00 178.83 176.02 2wad h TYR 531 N 0.49 -1.55 0.00 3.99 3.20 -0.61 0.42 116.97 122.92 2wad h TYR 531 Ca 0.14 0.08 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2wad h TYR 531 Cb 0.08 0.73 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2wad h TYR 531 CO -0.02 -0.43 -0.34 -0.24 -1.64 0.00 0.00 178.16 175.48 2wad h VAL 532 N -0.32 0.95 -0.32 1.81 3.04 -1.36 -2.30 116.25 117.74 2wad h VAL 532 Ca 0.07 -1.32 -0.07 0.00 -1.01 0.00 0.00 66.70 64.37 2wad h VAL 532 Cb 0.52 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 2wad h VAL 532 CO -0.56 0.34 -0.12 0.00 -1.01 0.00 0.00 177.57 176.22 2wad h ALA 533 N 1.66 1.20 -0.14 3.17 0.00 -0.24 -2.00 119.26 122.91 2wad h ALA 533 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2wad h ALA 533 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2wad h ALA 533 CO 0.04 0.52 -0.35 1.15 0.00 0.00 0.00 179.25 180.61 2wad h THR 534 N 0.51 1.29 -0.25 0.00 2.02 0.38 -1.44 112.91 115.42 2wad h THR 534 Ca 0.09 -1.39 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 2wad h THR 534 Cb 0.51 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 2wad h THR 534 CO 0.03 0.42 -0.05 0.40 0.37 0.00 0.00 175.52 176.70 2wad h ILE 535 N 0.25 1.28 0.00 3.11 2.04 -1.29 0.28 117.51 123.18 2wad h ILE 535 Ca 0.03 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 2wad h ILE 535 Cb 0.74 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2wad h ILE 535 CO 0.06 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.52 2wad h ALA 536 N 0.77 1.01 -0.82 1.87 0.00 -1.13 -1.73 119.26 119.24 2wad h ALA 536 Ca 0.07 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.47 2wad h ALA 536 Cb 0.50 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.02 2wad h ALA 536 CO 0.02 0.01 0.38 -1.71 0.00 0.00 0.00 179.25 177.95 2wad n ASN 537 N -3.11 4.84 -2.40 0.00 5.15 -0.56 -4.73 115.26 114.45 2wad n ASN 537 Ca -0.01 -3.73 -0.09 0.00 -0.60 0.00 0.00 54.58 50.16 2wad n ASN 537 Cb 0.24 -0.78 -0.01 0.00 -0.53 0.00 0.00 39.78 38.70 2wad n ASN 537 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wad n ASN 538 N -1.02 -3.01 0.00 1.20 3.02 -0.65 -1.95 115.26 112.85 2wad n ASN 538 Ca 0.53 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.36 2wad n ASN 538 Cb 1.12 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.68 2wad n ASN 538 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wad n GLY 539 N -0.69 0.67 3.40 7.41 0.00 0.97 -4.98 105.19 111.98 2wad n GLY 539 Ca -0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2wad n GLY 539 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wad s VAL 540 N -2.02 5.06 -0.01 1.61 1.01 -0.82 -1.25 120.40 123.97 2wad s VAL 540 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 2wad s VAL 540 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2wad s VAL 540 CO 0.00 -0.75 1.25 -0.60 0.00 0.00 0.00 175.10 175.00 2wad s ARG 541 N 2.11 4.36 -0.05 2.72 3.52 -0.11 -4.77 118.95 126.74 2wad s ARG 541 Ca 0.09 1.77 0.04 0.00 -0.13 0.00 0.00 55.73 57.50 2wad s ARG 541 Cb -0.23 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.64 2wad s ARG 541 CO 0.08 -0.42 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.48 2wad s LEU 542 N 1.90 2.64 0.05 -0.88 1.43 -1.26 -1.17 118.68 121.39 2wad s LEU 542 Ca 0.59 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.15 2wad s LEU 542 Cb -0.28 -1.53 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2wad s LEU 542 CO 0.25 0.34 1.36 0.00 0.23 0.00 0.00 176.35 178.53 2wad s ALA 543 N -0.69 3.55 0.42 4.21 0.00 -0.51 -4.88 121.76 123.85 2wad s ALA 543 Ca 0.11 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 2wad s ALA 543 Cb -0.11 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.39 2wad s ALA 543 CO 0.00 -0.72 1.23 -2.14 0.00 0.00 0.00 175.76 174.13 2wad s PRO 544 N 1.70 3.94 -0.02 0.00 0.02 -1.26 -4.56 135.00 134.83 2wad s PRO 544 Ca 0.63 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2wad s PRO 544 Cb -0.33 -2.66 -0.00 0.00 0.02 0.00 0.00 34.50 31.53 2wad s PRO 544 CO 0.28 -0.45 -0.10 -3.38 -0.33 0.00 0.00 177.00 173.01 2wad s HIS 545 N -1.36 1.01 -0.31 6.54 -3.43 0.14 -3.74 115.29 114.14 2wad s HIS 545 Ca 0.58 -0.23 0.23 0.00 -0.80 0.00 0.00 55.06 54.84 2wad s HIS 545 Cb -0.34 -0.69 -0.00 0.00 -1.43 0.00 0.00 32.58 30.12 2wad s HIS 545 CO 0.43 -0.07 0.99 -0.89 -2.00 0.00 0.00 174.74 173.20 2wad n ILE 546 N 3.06 0.44 -3.87 -5.38 5.41 -1.26 -1.16 119.36 116.60 2wad n ILE 546 Ca -0.16 -0.47 -0.35 0.00 1.00 0.00 0.00 62.75 62.77 2wad n ILE 546 Cb 0.55 -0.18 -0.09 0.00 -0.71 0.00 0.00 39.64 39.20 2wad n ILE 546 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wad s VAL 547 N -3.34 5.04 0.02 1.39 1.01 -1.26 -0.05 120.40 123.21 2wad s VAL 547 Ca -0.00 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2wad s VAL 547 Cb 0.11 -3.29 -0.31 0.00 0.00 0.00 0.00 36.38 32.89 2wad s VAL 547 CO 0.80 0.43 1.03 -0.08 0.00 0.00 0.00 175.10 177.28 2wad h GLU 548 N 6.85 0.51 -1.13 2.72 4.22 -0.13 -3.44 114.58 124.18 2wad h GLU 548 Ca -0.38 -0.76 0.36 0.00 0.08 0.00 0.00 59.36 58.66 2wad h GLU 548 Cb 1.16 0.26 -0.16 0.00 0.50 0.00 0.00 28.75 30.52 2wad h GLU 548 CO 0.71 1.35 0.95 0.20 -2.18 0.00 0.00 179.01 180.04 2wad s GLY 549 N -4.45 -0.39 -0.23 1.92 0.00 -1.16 -1.31 107.32 101.71 2wad s GLY 549 Ca -0.11 1.23 -0.12 0.00 0.00 0.00 0.00 44.72 45.73 2wad s GLY 549 CO 0.91 0.32 0.24 -0.42 0.00 0.00 0.00 173.10 174.14 2wad s ILE 550 N -2.12 5.31 -0.00 0.90 1.01 0.15 -2.08 121.20 124.36 2wad s ILE 550 Ca 0.14 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.20 2wad s ILE 550 Cb 0.04 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 2wad s ILE 550 CO -0.05 0.31 -0.21 -0.31 0.00 0.00 0.00 174.94 174.68 2wad s TYR 551 N 1.15 1.90 1.19 3.97 2.02 0.78 0.30 117.35 128.64 2wad s TYR 551 Ca 0.11 -0.36 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 2wad s TYR 551 Cb -0.14 -1.20 0.28 0.00 -0.40 0.00 0.00 41.96 40.50 2wad s TYR 551 CO 0.06 -0.01 1.12 0.34 -1.57 0.00 0.00 175.55 175.49 2wad s ASP 552 N -0.63 1.07 -0.04 2.29 -1.08 -0.17 0.24 116.67 118.34 2wad s ASP 552 Ca 0.08 0.64 -0.02 0.00 -0.52 0.00 0.00 52.55 52.73 2wad s ASP 552 Cb -0.08 -0.89 -0.04 0.00 -1.46 0.00 0.00 42.92 40.45 2wad s ASP 552 CO -0.00 -4.03 0.07 0.20 0.52 0.00 0.00 175.17 171.92 2wad s ASN 553 N -3.92 5.65 0.39 -0.34 0.02 -1.26 0.46 114.94 115.95 2wad s ASN 553 Ca 0.71 0.19 0.00 0.00 -1.02 0.00 0.00 52.86 52.74 2wad s ASN 553 Cb -0.10 -1.64 0.02 0.00 0.02 0.00 0.00 41.25 39.54 2wad s ASN 553 CO 0.56 0.32 0.12 -0.46 0.02 0.00 0.00 177.10 177.66 2wad n ASN 554 N 1.56 0.17 -0.35 -1.22 0.23 0.55 -4.57 115.26 111.63 2wad n ASN 554 Ca -0.16 -1.14 0.06 0.00 -0.53 0.00 0.00 54.58 52.81 2wad n ASN 554 Cb 0.53 -0.08 0.13 0.00 -2.08 0.00 0.00 39.78 38.29 2wad n ASN 554 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2wad n ASP 555 N -2.98 -0.36 -0.89 0.53 9.92 -1.26 -0.62 116.55 120.88 2wad n ASP 555 Ca 0.02 1.67 0.12 0.00 -0.53 0.00 0.00 54.79 56.08 2wad n ASP 555 Cb 0.07 -0.50 0.23 0.00 -0.64 0.00 0.00 41.12 40.28 2wad n ASP 555 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2wad n LYS 556 N -5.58 2.21 -0.45 -1.24 5.02 -1.26 -4.92 118.16 111.93 2wad n LYS 556 Ca 0.15 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2wad n LYS 556 Cb 0.48 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2wad n LYS 556 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wad n GLY 557 N 1.34 0.76 4.00 0.72 0.00 0.20 -5.08 105.19 107.14 2wad n GLY 557 Ca 0.16 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2wad n GLY 557 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wad s GLY 558 N -2.12 1.75 -0.72 -0.02 0.00 -1.26 -4.69 107.32 100.25 2wad s GLY 558 Ca 0.00 -1.87 -0.29 0.00 0.00 0.00 0.00 44.72 42.55 2wad s GLY 558 CO 0.00 -1.25 2.53 -0.10 0.00 0.00 0.00 173.10 174.28 2wad n LEU 559 N -2.89 1.32 0.00 0.66 0.00 -1.26 -0.33 117.00 114.49 2wad n LEU 559 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.09 2wad n LEU 559 Cb 0.61 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.79 2wad n LEU 559 CO 0.41 -1.09 0.00 0.61 0.00 0.00 0.00 177.39 177.32 2wad n GLY 560 N 6.31 0.24 3.56 -3.96 0.00 0.17 -4.60 105.19 106.91 2wad n GLY 560 Ca 0.51 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2wad n GLY 560 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wad s GLU 561 N 0.00 1.87 0.07 1.61 2.02 -1.25 -4.75 118.70 118.27 2wad s GLU 561 Ca 0.00 -1.85 -0.31 0.00 0.02 0.00 0.00 54.97 52.83 2wad s GLU 561 Cb 0.00 -1.78 -0.09 0.00 0.10 0.00 0.00 34.13 32.36 2wad s GLU 561 CO 0.00 0.17 1.71 -1.17 0.02 0.00 0.00 175.26 176.00 2wad s LEU 562 N -3.62 4.37 -0.22 1.80 2.96 -1.26 -1.00 118.68 121.70 2wad s LEU 562 Ca 0.33 2.53 -0.18 0.00 -0.22 0.00 0.00 54.13 56.59 2wad s LEU 562 Cb 0.00 -3.56 -0.16 0.00 0.50 0.00 0.00 46.19 42.98 2wad s LEU 562 CO 0.17 -0.93 0.01 -0.38 -1.32 0.00 0.00 176.35 173.90 2wad n ILE 563 N 4.85 1.52 -3.71 6.68 2.08 0.15 -4.87 119.36 126.06 2wad n ILE 563 Ca 0.17 -0.10 -0.13 0.00 0.56 0.00 0.00 62.75 63.25 2wad n ILE 563 Cb 0.40 -2.03 -0.13 0.00 -0.75 0.00 0.00 39.64 37.13 2wad n ILE 563 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2wad s GLN 564 N -2.41 0.20 0.30 0.38 0.74 -0.64 -4.99 119.66 113.25 2wad s GLN 564 Ca -0.31 0.61 -0.27 0.00 0.05 0.00 0.00 55.36 55.44 2wad s GLN 564 Cb 0.08 -0.09 -0.10 0.00 1.10 0.00 0.00 33.01 34.01 2wad s GLN 564 CO 0.53 -0.20 0.96 0.00 -0.55 0.00 0.00 175.29 176.03 2wad s ALA 565 N 1.60 3.25 -0.60 1.58 0.00 -1.26 0.32 121.76 126.63 2wad s ALA 565 Ca -0.06 0.58 -0.26 0.00 0.00 0.00 0.00 51.96 52.22 2wad s ALA 565 Cb -0.11 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2wad s ALA 565 CO -0.09 0.14 1.10 0.42 0.00 0.00 0.00 175.76 177.34 2wad s ILE 566 N -1.48 4.12 0.44 0.00 1.01 -0.42 -4.92 121.20 119.95 2wad s ILE 566 Ca 0.48 0.50 -0.22 0.00 0.00 0.00 0.00 60.65 61.41 2wad s ILE 566 Cb -0.22 -4.69 -0.09 0.00 0.01 0.00 0.00 42.46 37.47 2wad s ILE 566 CO 0.27 -1.37 1.03 -1.81 0.00 0.00 0.00 174.94 173.06 2wad s ASP 567 N 3.12 6.61 0.30 3.58 1.01 -1.26 -4.92 116.67 125.10 2wad s ASP 567 Ca 0.36 1.94 -0.27 0.00 0.71 0.00 0.00 52.55 55.28 2wad s ASP 567 Cb -0.10 -2.57 -0.14 0.00 1.01 0.00 0.00 42.92 41.12 2wad s ASP 567 CO 0.20 -0.59 0.95 0.41 0.21 0.00 0.00 175.17 176.35 2wad n THR 568 N -0.53 2.02 -3.82 -1.27 -1.04 -1.26 -4.99 114.28 103.38 2wad n THR 568 Ca 0.07 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.29 2wad n THR 568 Cb 0.51 -0.92 -0.16 0.00 -1.82 0.00 0.00 70.33 67.94 2wad n THR 568 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2wad s LYS 569 N -1.56 1.05 -0.06 -2.82 2.20 -1.26 -5.08 119.74 112.22 2wad s LYS 569 Ca 0.59 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 55.26 2wad s LYS 569 Cb -0.70 -2.31 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2wad s LYS 569 CO 0.59 -0.64 0.83 -1.21 -0.36 0.00 0.00 175.35 174.57 2wad s GLU 570 N 1.66 4.46 -0.20 4.03 2.02 -1.26 -1.43 118.70 127.98 2wad s GLU 570 Ca -0.03 1.12 -0.05 0.00 0.02 0.00 0.00 54.97 56.03 2wad s GLU 570 Cb -0.18 -3.47 -0.20 0.00 0.10 0.00 0.00 34.13 30.38 2wad s GLU 570 CO -0.08 -0.05 0.02 -0.89 0.02 0.00 0.00 175.26 174.28 2wad n ILE 571 N 3.99 1.61 -3.56 -1.63 5.41 -0.32 -4.97 119.36 119.89 2wad n ILE 571 Ca 0.03 -0.54 -0.08 0.00 1.00 0.00 0.00 62.75 63.16 2wad n ILE 571 Cb 0.51 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.78 2wad n ILE 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wad s ASN 572 N -6.84 -0.34 -0.16 4.38 4.22 -1.25 -5.04 114.94 109.91 2wad s ASN 572 Ca -0.30 -0.11 0.01 0.00 -2.14 0.00 0.00 52.86 50.33 2wad s ASN 572 Cb 0.08 0.44 0.01 0.00 1.28 0.00 0.00 41.25 43.06 2wad s ASN 572 CO 0.65 -0.73 -0.20 -0.75 -2.04 0.00 0.00 177.10 174.03 2wad s LYS 573 N -3.23 3.05 0.37 3.55 2.20 -1.26 -0.93 119.74 123.48 2wad s LYS 573 Ca 0.06 -0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 2wad s LYS 573 Cb -0.01 -2.53 -0.11 0.00 -1.51 0.00 0.00 37.83 33.67 2wad s LYS 573 CO -0.07 -0.08 1.49 0.14 -0.36 0.00 0.00 175.35 176.47 2wad s VAL 574 N 1.00 2.05 -1.49 4.02 -7.23 -0.38 -4.88 120.40 113.50 2wad s VAL 574 Ca -0.02 0.05 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 2wad s VAL 574 Cb -0.15 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2wad s VAL 574 CO -0.06 0.01 2.41 -3.20 -0.31 0.00 0.00 175.10 173.95 2wad n ASN 575 N 0.54 5.07 -4.08 4.85 5.15 -1.26 -4.87 115.26 120.66 2wad n ASN 575 Ca 0.01 -2.77 -0.14 0.00 -0.60 0.00 0.00 54.58 51.09 2wad n ASN 575 Cb 0.39 -1.62 -0.12 0.00 -0.53 0.00 0.00 39.78 37.90 2wad n ASN 575 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2wad s ILE 576 N 2.98 0.64 1.19 -1.44 -4.36 -1.26 -4.58 121.20 114.37 2wad s ILE 576 Ca 0.53 -1.10 -0.13 0.00 -0.26 0.00 0.00 60.65 59.69 2wad s ILE 576 Cb 0.15 -0.68 0.29 0.00 1.25 0.00 0.00 42.46 43.47 2wad s ILE 576 CO -0.08 -0.34 0.97 -1.54 0.24 0.00 0.00 174.94 174.18 2wad n SER 577 N 1.46 -1.89 -0.22 4.36 3.41 -1.26 -4.77 113.62 114.71 2wad n SER 577 Ca -0.22 -0.20 -0.08 0.00 -0.26 0.00 0.00 58.87 58.10 2wad n SER 577 Cb 0.55 -1.23 0.03 0.00 -0.26 0.00 0.00 64.21 63.29 2wad n SER 577 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wad h GLU 578 N -2.73 0.98 -0.03 4.33 4.39 -1.99 -1.79 114.58 117.74 2wad h GLU 578 Ca -0.63 -0.24 -0.16 0.00 0.34 0.00 0.00 59.36 58.67 2wad h GLU 578 Cb 1.34 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2wad h GLU 578 CO 0.49 0.90 -0.68 0.66 -1.16 0.00 0.00 179.01 179.22 2wad h SER 579 N 0.89 0.19 -0.17 1.42 4.64 -1.99 -1.22 113.55 117.32 2wad h SER 579 Ca 0.19 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2wad h SER 579 Cb 0.38 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2wad h SER 579 CO 0.01 0.81 0.08 0.44 -0.87 0.00 0.00 176.83 177.30 2wad h ASP 580 N 0.11 0.22 -0.60 4.97 3.45 -1.91 -1.95 116.42 120.71 2wad h ASP 580 Ca -0.01 -0.11 0.08 0.00 0.43 0.00 0.00 57.03 57.41 2wad h ASP 580 Cb 1.21 -0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 39.89 2wad h ASP 580 CO 0.10 0.27 0.40 -0.03 -1.57 0.00 0.00 179.24 178.40 2wad h MET 581 N 0.15 0.48 0.00 3.56 4.05 -1.11 -0.99 114.93 121.07 2wad h MET 581 Ca 0.06 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 2wad h MET 581 Cb 0.10 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 2wad h MET 581 CO -0.01 0.32 -0.39 0.00 0.23 0.00 0.00 176.91 177.06 2wad h ALA 582 N 1.69 1.04 -0.49 0.39 0.00 -0.94 -2.20 119.26 118.75 2wad h ALA 582 Ca 0.27 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2wad h ALA 582 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wad h ALA 582 CO -0.08 0.48 -0.14 0.82 0.00 0.00 0.00 179.25 180.33 2wad h ILE 583 N 0.00 1.27 -0.60 0.00 2.04 -0.41 -1.78 117.51 118.03 2wad h ILE 583 Ca -0.00 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2wad h ILE 583 Cb 0.86 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2wad h ILE 583 CO 0.05 0.45 0.35 -0.07 0.00 0.00 0.00 178.15 178.92 2wad h LEU 584 N 0.82 0.74 -0.69 1.44 3.38 -1.00 -0.96 115.31 119.05 2wad h LEU 584 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wad h LEU 584 Cb 0.71 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2wad h LEU 584 CO 0.05 0.60 0.42 0.45 0.09 0.00 0.00 178.44 180.06 2wad h HIS 585 N 0.81 0.90 -0.23 1.13 3.86 -1.30 -0.96 115.15 119.36 2wad h HIS 585 Ca 0.21 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.31 2wad h HIS 585 Cb 0.01 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 2wad h HIS 585 CO -0.02 0.60 -0.33 0.37 0.86 0.00 0.00 177.93 179.41 2wad h GLN 586 N 0.94 0.49 -0.06 2.45 5.75 -1.18 0.38 115.11 123.86 2wad h GLN 586 Ca 0.25 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2wad h GLN 586 Cb -0.04 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2wad h GLN 586 CO -0.05 0.76 -0.07 0.78 -2.65 0.00 0.00 178.83 177.61 2wad h GLY 587 N 1.07 -0.01 2.00 2.39 0.00 -0.62 -0.62 103.07 107.28 2wad h GLY 587 Ca 0.05 0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2wad h GLY 587 CO 0.06 -0.08 -0.35 0.74 0.00 0.00 0.00 176.54 176.92 2wad h PHE 588 N -0.09 0.00 -0.46 5.60 -1.00 -0.98 -1.95 116.94 118.07 2wad h PHE 588 Ca 0.05 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 2wad h PHE 588 Cb 0.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 2wad h PHE 588 CO -0.17 0.35 -0.04 -0.92 -1.61 0.00 0.00 178.31 175.92 2wad h TYR 589 N 0.00 0.93 0.00 -0.55 3.20 -0.57 -2.69 116.97 117.30 2wad h TYR 589 Ca -0.00 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 2wad h TYR 589 Cb 0.92 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2wad h TYR 589 CO 0.00 0.91 -0.24 1.96 -1.64 0.00 0.00 178.16 179.14 2wad h GLN 590 N 0.69 0.00 -0.47 1.82 4.20 -0.55 -2.27 115.11 118.54 2wad h GLN 590 Ca 0.13 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.86 2wad h GLN 590 Cb 0.56 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2wad h GLN 590 CO 0.03 0.24 0.31 0.28 -0.67 0.00 0.00 178.83 179.02 2wad h VAL 591 N 0.00 1.08 -0.00 -0.54 2.07 -1.35 0.10 116.25 117.61 2wad h VAL 591 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2wad h VAL 591 Cb 1.10 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2wad h VAL 591 CO 0.03 0.10 -0.70 -1.54 0.02 0.00 0.00 177.57 175.49 2wad n SER 592 N -4.47 0.74 0.00 0.57 3.41 -1.09 0.24 113.62 113.01 2wad n SER 592 Ca 0.05 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2wad n SER 592 Cb 0.10 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2wad n SER 592 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wad n HIS 593 N -1.32 0.00 -1.80 7.33 -0.00 -0.87 -4.30 115.22 114.27 2wad n HIS 593 Ca 0.03 -0.04 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 2wad n HIS 593 Cb 0.24 -0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.30 2wad n HIS 593 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2wad s GLY 594 N -0.08 1.61 0.00 -1.41 0.00 0.35 -4.98 107.32 102.81 2wad s GLY 594 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2wad s GLY 594 CO 0.00 -0.02 0.53 -1.30 0.00 0.00 0.00 173.10 172.32 2wad n THR 595 N -3.29 0.27 -1.74 0.90 -2.24 -1.26 -4.92 114.28 102.00 2wad n THR 595 Ca 0.07 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 2wad n THR 595 Cb 0.59 1.07 0.04 0.00 -2.10 0.00 0.00 70.33 69.93 2wad n THR 595 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wad s SER 596 N -0.27 5.44 0.00 3.42 0.15 -1.26 -4.93 113.70 116.25 2wad s SER 596 Ca 0.00 1.74 0.07 0.00 0.70 0.00 0.00 55.95 58.46 2wad s SER 596 Cb 0.00 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.13 2wad s SER 596 CO 0.00 -1.40 1.09 -2.65 1.20 0.00 0.00 173.24 171.48 2wad n PRO 597 N -2.68 0.08 -0.08 5.44 -0.02 -1.26 -2.73 135.00 133.76 2wad n PRO 597 Ca 0.08 0.24 0.05 0.00 -2.02 0.00 0.00 63.50 61.85 2wad n PRO 597 Cb 0.53 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.60 2wad n PRO 597 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wad n LEU 598 N -1.31 2.30 -4.67 2.45 4.77 -1.26 -4.95 117.00 114.32 2wad n LEU 598 Ca 0.03 -1.52 -0.42 0.00 -0.03 0.00 0.00 56.01 54.07 2wad n LEU 598 Cb 0.06 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2wad n LEU 598 CO 0.05 0.53 1.32 -0.89 -1.33 0.00 0.00 177.39 177.07 2wad s THR 599 N -0.89 3.53 -0.09 -5.08 2.01 -1.11 -3.74 115.64 110.27 2wad s THR 599 Ca 0.15 0.76 0.15 0.00 0.31 0.00 0.00 61.69 63.06 2wad s THR 599 Cb 0.09 -3.49 -0.17 0.00 0.01 0.00 0.00 72.50 68.95 2wad s THR 599 CO 0.13 -0.05 0.78 0.71 -0.69 0.00 0.00 174.62 175.50 2wad h THR 600 N 5.34 0.63 -0.44 -0.82 1.35 -1.63 -3.42 112.91 113.93 2wad h THR 600 Ca -0.39 -2.25 -0.28 0.00 -0.55 0.00 0.00 66.41 62.94 2wad h THR 600 Cb 1.18 2.18 -0.19 0.00 -1.73 0.00 0.00 68.15 69.59 2wad h THR 600 CO 0.94 0.36 -0.30 0.61 -0.25 0.00 0.00 175.52 176.88 2wad n GLY 601 N 1.45 5.45 0.26 5.82 0.00 0.14 -4.72 105.19 113.59 2wad n GLY 601 Ca -0.12 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.26 2wad n GLY 601 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wad h ARG 602 N 1.40 0.00 -0.76 1.61 3.08 -1.76 -1.65 114.38 116.31 2wad h ARG 602 Ca 0.25 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.42 2wad h ARG 602 Cb 1.41 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 2wad h ARG 602 CO 0.50 0.00 0.50 0.00 -1.07 0.00 0.00 179.97 179.91 2wad h ALA 603 N 2.00 1.96 -0.87 0.04 0.00 -1.88 -1.51 119.26 119.00 2wad h ALA 603 Ca 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 55.13 2wad h ALA 603 Cb 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 2wad h ALA 603 CO -0.00 -0.14 0.31 0.74 0.00 0.00 0.00 179.25 180.15 2wad h PHE 604 N 0.54 0.49 0.00 0.00 0.04 -1.52 -2.69 116.94 113.80 2wad h PHE 604 Ca 0.37 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.18 2wad h PHE 604 Cb 0.67 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2wad h PHE 604 CO -0.00 -0.11 -0.59 0.43 -0.60 0.00 0.00 178.31 177.44 2wad n SER 605 N -5.13 0.59 -4.55 2.17 7.64 -0.58 -4.47 113.62 109.29 2wad n SER 605 Ca 0.21 -0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.29 2wad n SER 605 Cb 0.64 0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 2wad n SER 605 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wad s ASP 606 N -3.00 6.31 0.00 6.43 2.15 -1.02 -2.12 116.67 125.42 2wad s ASP 606 Ca 0.10 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2wad s ASP 606 Cb 0.17 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2wad s ASP 606 CO 0.73 -1.54 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 2wad n GLY 607 N 5.20 0.68 3.56 2.66 0.00 -1.26 -5.02 105.19 111.01 2wad n GLY 607 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2wad n GLY 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wad s ALA 608 N -2.35 2.34 -1.76 4.61 0.00 -0.90 -4.82 121.76 118.88 2wad s ALA 608 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.54 2wad s ALA 608 Cb 0.00 -4.24 0.43 0.00 0.00 0.00 0.00 23.12 19.31 2wad s ALA 608 CO 0.00 -3.61 1.00 0.25 0.00 0.00 0.00 175.76 173.41 2wad n THR 609 N 7.22 0.37 -4.09 0.00 -2.24 -1.26 -4.64 114.28 109.64 2wad n THR 609 Ca 0.20 0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.97 2wad n THR 609 Cb 0.51 -0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 2wad n THR 609 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wad s VAL 610 N -2.24 0.00 -0.10 2.28 -7.23 -1.26 -5.01 120.40 106.83 2wad s VAL 610 Ca 0.10 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 2wad s VAL 610 Cb 0.05 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 2wad s VAL 610 CO 0.10 -0.01 1.14 -0.55 -0.31 0.00 0.00 175.10 175.48 2wad s SER 611 N -3.08 7.09 -0.11 4.85 0.15 -1.26 -5.02 113.70 116.31 2wad s SER 611 Ca 0.30 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.64 2wad s SER 611 Cb 0.03 -2.55 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 2wad s SER 611 CO 0.10 -0.59 -0.16 -0.63 1.20 0.00 0.00 173.24 173.17 2wad s ILE 612 N 2.47 2.82 0.07 6.45 1.01 -1.26 -1.99 121.20 130.76 2wad s ILE 612 Ca 0.52 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.50 2wad s ILE 612 Cb -0.21 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2wad s ILE 612 CO 0.18 0.54 -0.20 -0.44 0.00 0.00 0.00 174.94 175.02 2wad s SER 613 N 0.19 3.65 0.00 3.58 0.01 -0.87 -4.76 113.70 115.51 2wad s SER 613 Ca -0.09 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2wad s SER 613 Cb -0.16 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.58 2wad s SER 613 CO 0.06 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2wad n GLY 614 N 1.37 1.09 3.64 3.44 0.00 -1.02 -0.26 105.19 113.45 2wad n GLY 614 Ca -0.16 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 2wad n GLY 614 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wad s LYS 615 N 1.55 0.65 0.56 1.61 2.47 -0.26 -4.48 119.74 121.84 2wad s LYS 615 Ca 0.00 1.27 0.01 0.00 -1.56 0.00 0.00 55.97 55.69 2wad s LYS 615 Cb 0.00 0.38 0.04 0.00 -1.46 0.00 0.00 37.83 36.78 2wad s LYS 615 CO 0.00 -0.16 0.79 0.95 0.16 0.00 0.00 175.35 177.09 2wad s THR 616 N 2.04 2.63 0.00 3.43 -4.23 -1.26 -1.62 115.64 116.62 2wad s THR 616 Ca -0.09 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2wad s THR 616 Cb -0.07 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2wad s THR 616 CO -0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 2wad n GLY 617 N -2.38 4.20 0.93 3.99 0.00 0.05 -3.20 105.19 108.78 2wad n GLY 617 Ca 0.08 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.72 2wad n GLY 617 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wad n THR 630 N 0.00 -0.32 -3.30 2.61 -2.24 -1.26 -2.91 114.28 106.87 2wad n THR 630 Ca 0.00 0.38 -0.38 0.00 -2.27 0.00 0.00 64.05 61.78 2wad n THR 630 Cb 0.00 -0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 2wad n THR 630 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 631 N -5.72 6.74 -0.58 3.42 -0.87 -1.26 -0.66 114.94 116.01 2wad s ASN 631 Ca 0.00 0.88 0.00 0.00 -1.57 0.00 0.00 52.86 52.17 2wad s ASN 631 Cb 0.00 -2.30 0.45 0.00 -0.02 0.00 0.00 41.25 39.38 2wad s ASN 631 CO 0.00 0.02 1.82 0.35 -2.57 0.00 0.00 177.10 176.72 2wad n THR 632 N 3.48 3.35 -1.79 1.60 -2.24 -1.07 -4.96 114.28 112.65 2wad n THR 632 Ca -0.07 -3.33 -0.36 0.00 -2.27 0.00 0.00 64.05 58.01 2wad n THR 632 Cb 0.52 -1.16 0.06 0.00 -2.10 0.00 0.00 70.33 67.65 2wad n THR 632 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wad s ASN 633 N -2.26 4.74 -0.17 3.42 0.01 -1.15 -3.57 114.94 115.97 2wad s ASN 633 Ca 0.61 2.51 -0.14 0.00 -0.71 0.00 0.00 52.86 55.14 2wad s ASN 633 Cb 0.48 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.58 2wad s ASN 633 CO -0.02 -1.90 0.45 0.00 -1.51 0.00 0.00 177.10 174.12 2wad s ALA 634 N -1.53 -1.12 0.09 0.60 0.00 -0.46 -0.77 121.76 118.57 2wad s ALA 634 Ca 0.80 1.40 0.09 0.00 0.00 0.00 0.00 51.96 54.24 2wad s ALA 634 Cb -0.34 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2wad s ALA 634 CO 0.38 -0.24 -0.23 0.14 0.00 0.00 0.00 175.76 175.81 2wad s VAL 635 N 0.65 1.92 0.00 0.00 -7.23 -0.64 -0.09 120.40 115.02 2wad s VAL 635 Ca -0.03 -1.54 -0.23 0.00 -1.81 0.00 0.00 61.98 58.37 2wad s VAL 635 Cb -0.05 -1.71 0.05 0.00 0.56 0.00 0.00 36.38 35.23 2wad s VAL 635 CO -0.04 0.08 0.51 0.00 -0.31 0.00 0.00 175.10 175.34 2wad s ALA 636 N -1.03 -1.31 0.08 1.32 0.00 -0.13 -1.10 121.76 119.60 2wad s ALA 636 Ca 0.10 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.82 2wad s ALA 636 Cb -0.10 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2wad s ALA 636 CO 0.04 -0.40 -0.08 1.52 0.00 0.00 0.00 175.76 176.85 2wad s TYR 637 N -1.77 0.86 0.10 0.00 -0.85 0.64 -0.41 117.35 115.92 2wad s TYR 637 Ca -0.09 -0.76 -0.22 0.00 -0.52 0.00 0.00 57.07 55.48 2wad s TYR 637 Cb -0.02 -0.50 0.06 0.00 0.38 0.00 0.00 41.96 41.88 2wad s TYR 637 CO 0.03 -0.11 0.53 0.00 -1.52 0.00 0.00 175.55 174.49 2wad s ALA 638 N -2.82 -1.37 0.66 9.51 0.00 -0.78 -2.05 121.76 124.91 2wad s ALA 638 Ca 0.05 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 2wad s ALA 638 Cb -0.00 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2wad s ALA 638 CO -0.03 -0.63 1.05 -1.25 0.00 0.00 0.00 175.76 174.91 2wad s PRO 639 N -3.19 3.13 0.26 0.00 0.04 -1.24 0.81 135.00 134.81 2wad s PRO 639 Ca -0.01 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 61.99 2wad s PRO 639 Cb -0.00 -2.01 0.54 0.00 0.04 0.00 0.00 34.50 33.07 2wad s PRO 639 CO -0.08 -0.95 1.71 1.15 0.04 0.00 0.00 177.00 178.87 2wad h THR 640 N -0.37 0.58 -0.07 1.26 2.02 -1.62 -1.81 112.91 112.90 2wad h THR 640 Ca -0.45 -0.14 -0.21 0.00 0.77 0.00 0.00 66.41 66.39 2wad h THR 640 Cb 1.21 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2wad h THR 640 CO 0.58 0.07 -0.81 -0.33 0.37 0.00 0.00 175.52 175.40 2wad h GLU 641 N 0.41 0.48 -1.97 6.66 3.07 -1.96 -3.39 114.58 117.89 2wad h GLU 641 Ca 0.46 -0.43 -0.49 0.00 -0.50 0.00 0.00 59.36 58.40 2wad h GLU 641 Cb 0.77 0.10 -0.33 0.00 -0.84 0.00 0.00 28.75 28.45 2wad h GLU 641 CO -0.46 1.07 -0.89 -1.71 -1.40 0.00 0.00 179.01 175.62 2wad n ASN 642 N -3.83 -1.04 -4.76 1.42 5.15 -0.74 -5.13 115.26 106.33 2wad n ASN 642 Ca -0.06 -2.55 -0.41 0.00 -0.60 0.00 0.00 54.58 50.96 2wad n ASN 642 Cb 0.76 -0.05 -0.01 0.00 -0.53 0.00 0.00 39.78 39.95 2wad n ASN 642 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wad s PRO 643 N 0.06 4.14 0.00 1.20 0.02 -0.83 -3.63 135.00 135.96 2wad s PRO 643 Ca 0.33 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.89 2wad s PRO 643 Cb 0.06 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.56 2wad s PRO 643 CO -0.16 -0.58 0.15 1.04 -0.33 0.00 0.00 177.00 177.12 2wad n GLN 644 N 1.77 0.40 -3.72 5.54 6.02 0.24 -4.73 117.38 122.89 2wad n GLN 644 Ca 0.06 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 2wad n GLN 644 Cb 0.38 -0.58 -0.09 0.00 1.02 0.00 0.00 30.24 30.97 2wad n GLN 644 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2wad s ILE 645 N -0.10 0.01 -0.05 5.09 2.07 -1.02 -4.46 121.20 122.74 2wad s ILE 645 Ca 0.00 -0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2wad s ILE 645 Cb 0.00 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 42.00 2wad s ILE 645 CO 0.00 -0.05 0.00 0.00 -1.91 0.00 0.00 174.94 172.98 2wad s ALA 646 N -0.15 0.52 -0.01 1.50 0.00 0.18 -1.87 121.76 121.92 2wad s ALA 646 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.01 2wad s ALA 646 Cb -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2wad s ALA 646 CO 0.02 -0.30 -0.22 0.54 0.00 0.00 0.00 175.76 175.80 2wad s VAL 647 N 1.60 2.44 -0.12 0.00 0.11 0.45 -1.30 120.40 123.58 2wad s VAL 647 Ca -0.01 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.01 2wad s VAL 647 Cb -0.13 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2wad s VAL 647 CO -0.03 0.52 -0.17 0.00 -3.33 0.00 0.00 175.10 172.09 2wad s ALA 648 N -0.71 1.85 -0.16 1.54 0.00 -0.80 -0.95 121.76 122.54 2wad s ALA 648 Ca 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2wad s ALA 648 Cb -0.10 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2wad s ALA 648 CO 0.01 -0.10 -0.01 0.08 0.00 0.00 0.00 175.76 175.74 2wad s VAL 649 N 1.00 4.17 -0.10 0.00 1.01 0.88 -1.96 120.40 125.40 2wad s VAL 649 Ca -0.05 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2wad s VAL 649 Cb -0.15 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2wad s VAL 649 CO -0.03 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.64 2wad s VAL 650 N 0.25 2.02 -0.46 2.92 1.01 0.93 -1.35 120.40 125.72 2wad s VAL 650 Ca -0.01 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.03 2wad s VAL 650 Cb -0.13 -1.75 0.18 0.00 0.00 0.00 0.00 36.38 34.68 2wad s VAL 650 CO 0.02 0.55 0.53 0.33 0.00 0.00 0.00 175.10 176.54 2wad n PHE 651 N 3.54 -2.34 -2.04 5.22 -0.00 -1.26 -1.06 117.46 119.52 2wad n PHE 651 Ca -0.19 -2.37 -0.32 0.00 -0.00 0.00 0.00 57.45 54.57 2wad n PHE 651 Cb 0.53 0.85 0.01 0.00 -0.00 0.00 0.00 39.48 40.87 2wad n PHE 651 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2wad s PRO 652 N 0.43 3.43 -1.52 -7.13 0.04 -1.26 -2.58 135.00 126.41 2wad s PRO 652 Ca 0.32 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 2wad s PRO 652 Cb 0.03 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.59 2wad s PRO 652 CO -0.13 -0.71 0.90 0.72 0.04 0.00 0.00 177.00 177.82 2wad n HIS 653 N -2.16 -2.16 -3.55 0.56 8.25 -1.08 -4.41 115.22 110.67 2wad n HIS 653 Ca 0.08 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 58.00 2wad n HIS 653 Cb 0.53 -3.88 -0.11 0.00 1.12 0.00 0.00 29.99 27.65 2wad n HIS 653 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2wad s ASN 654 N -3.48 5.88 0.00 0.41 3.84 0.17 -3.71 114.94 118.04 2wad s ASN 654 Ca 0.57 -0.94 0.29 0.00 0.21 0.00 0.00 52.86 52.98 2wad s ASN 654 Cb -0.29 -2.08 1.32 0.00 -0.55 0.00 0.00 41.25 39.66 2wad s ASN 654 CO 0.84 -0.40 1.95 0.35 -2.79 0.00 0.00 177.10 177.05 2wad n THR 655 N 5.06 0.06 -1.54 -5.21 -2.24 -0.71 -4.01 114.28 105.69 2wad n THR 655 Ca -0.12 0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 2wad n THR 655 Cb 0.47 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 68.10 2wad n THR 655 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wad n ASN 656 N -1.41 1.69 0.12 3.42 3.02 -1.26 -4.78 115.26 116.05 2wad n ASN 656 Ca 0.10 -0.63 0.03 0.00 -0.03 0.00 0.00 54.58 54.05 2wad n ASN 656 Cb 0.29 -1.45 0.01 0.00 -0.61 0.00 0.00 39.78 38.02 2wad n ASN 656 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 2wad h LEU 657 N 18.71 0.00 0.07 3.41 8.10 -2.01 -3.39 115.31 140.19 2wad h LEU 657 Ca -0.14 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.84 2wad h LEU 657 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2wad h LEU 657 CO 1.19 0.47 -0.03 0.71 -4.11 0.00 0.00 178.44 176.66 2wad h THR 658 N 0.00 0.00 -3.58 0.15 1.35 -2.01 -3.44 112.91 105.39 2wad h THR 658 Ca -0.04 -0.01 -0.68 0.00 -0.55 0.00 0.00 66.41 65.14 2wad h THR 658 Cb 1.39 0.00 -0.31 0.00 -1.73 0.00 0.00 68.15 67.50 2wad h THR 658 CO 0.05 0.00 -0.86 -1.59 -0.25 0.00 0.00 175.52 172.88 2wad s LYS 659 N -3.06 2.93 -0.27 4.72 -2.85 -1.26 -5.11 119.74 114.83 2wad s LYS 659 Ca -0.01 -0.85 -0.15 0.00 -1.00 0.00 0.00 55.97 53.96 2wad s LYS 659 Cb 0.00 -2.32 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 2wad s LYS 659 CO 0.04 0.27 0.36 1.21 0.10 0.00 0.00 175.35 177.33 2wad s ASN 660 N 0.13 6.24 0.02 0.03 3.84 -1.26 -4.88 114.94 119.07 2wad s ASN 660 Ca -0.11 0.27 0.25 0.00 0.21 0.00 0.00 52.86 53.48 2wad s ASN 660 Cb -0.16 -2.20 0.49 0.00 -0.55 0.00 0.00 41.25 38.82 2wad s ASN 660 CO 0.06 -0.17 1.40 1.33 -2.79 0.00 0.00 177.10 176.94 2wad n VAL 661 N 5.08 0.07 0.07 -5.21 0.24 -1.26 -4.30 118.33 113.01 2wad n VAL 661 Ca -0.09 -0.06 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 2wad n VAL 661 Cb 0.51 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 2wad n VAL 661 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2wad h GLY 662 N 4.90 -0.57 1.45 7.63 0.00 -1.91 0.64 103.07 115.20 2wad h GLY 662 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2wad h GLY 662 CO 0.00 -0.24 0.35 -0.56 0.00 0.00 0.00 176.54 176.09 2wad h PRO 663 N -0.50 0.74 -0.27 4.80 0.13 -1.81 -1.93 132.00 133.17 2wad h PRO 663 Ca 0.06 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2wad h PRO 663 Cb 0.57 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2wad h PRO 663 CO -0.26 0.51 -0.30 0.00 -0.23 0.00 0.00 178.00 177.72 2wad h ALA 664 N 1.62 0.97 -0.02 -0.56 0.00 -1.59 -0.49 119.26 119.20 2wad h ALA 664 Ca 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wad h ALA 664 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wad h ALA 664 CO -0.04 0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.63 2wad h ILE 665 N 0.48 1.31 -0.37 0.00 2.04 -0.72 -0.95 117.51 119.30 2wad h ILE 665 Ca 0.06 -0.93 0.08 0.00 1.00 0.00 0.00 64.86 65.07 2wad h ILE 665 Cb 0.76 1.90 -0.08 0.00 -0.74 0.00 0.00 36.82 38.66 2wad h ILE 665 CO 0.06 0.25 -0.21 0.00 0.00 0.00 0.00 178.15 178.24 2wad h ALA 666 N 0.62 0.03 -0.53 1.87 0.00 -1.22 -0.56 119.26 119.47 2wad h ALA 666 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wad h ALA 666 Cb 0.40 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wad h ALA 666 CO 0.00 -0.59 0.33 -0.09 0.00 0.00 0.00 179.25 178.90 2wad h ARG 667 N -0.16 0.71 -0.11 0.00 2.43 -1.07 -1.84 114.38 114.35 2wad h ARG 667 Ca 0.18 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2wad h ARG 667 Cb 0.44 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2wad h ARG 667 CO -0.47 0.50 -0.25 -0.44 -1.51 0.00 0.00 179.97 177.80 2wad h ASP 668 N 0.72 0.19 -0.24 -3.80 3.45 -0.57 -0.50 116.42 115.66 2wad h ASP 668 Ca 0.19 -0.05 -0.09 0.00 0.43 0.00 0.00 57.03 57.50 2wad h ASP 668 Cb -0.04 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.68 2wad h ASP 668 CO -0.04 0.45 -0.22 0.40 -1.57 0.00 0.00 179.24 178.26 2wad h ILE 669 N 0.17 1.32 -0.45 0.35 2.04 -0.77 -0.26 117.51 119.90 2wad h ILE 669 Ca 0.03 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 2wad h ILE 669 Cb 0.55 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2wad h ILE 669 CO 0.04 0.43 0.21 0.40 0.00 0.00 0.00 178.15 179.23 2wad h ILE 670 N 0.27 1.16 -0.16 -0.67 2.04 -0.96 -0.35 117.51 118.84 2wad h ILE 670 Ca 0.04 -0.45 -0.20 0.00 1.00 0.00 0.00 64.86 65.25 2wad h ILE 670 Cb 0.77 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2wad h ILE 670 CO 0.06 0.18 -0.71 0.78 0.00 0.00 0.00 178.15 178.46 2wad h ASN 671 N 0.63 0.81 -0.78 1.72 2.35 -1.00 -1.14 115.58 118.17 2wad h ASN 671 Ca 0.16 -0.51 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2wad h ASN 671 Cb 0.08 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 2wad h ASN 671 CO -0.02 1.28 0.49 -0.07 -1.65 0.00 0.00 177.43 177.47 2wad h LEU 672 N 0.49 0.92 -0.25 1.61 3.38 -0.27 -1.15 115.31 120.04 2wad h LEU 672 Ca -0.03 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2wad h LEU 672 Cb 1.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2wad h LEU 672 CO 0.14 0.69 0.04 0.22 0.09 0.00 0.00 178.44 179.63 2wad h TYR 673 N 1.06 0.43 -0.88 1.13 3.20 -1.08 -3.01 116.97 117.82 2wad h TYR 673 Ca 0.28 -0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.18 2wad h TYR 673 Cb -0.08 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.00 2wad h TYR 673 CO -0.01 0.52 0.54 -0.97 -1.64 0.00 0.00 178.16 176.59 2wad h ASN 674 N 0.22 0.81 0.96 -2.11 -1.24 -0.79 1.30 115.58 114.73 2wad h ASN 674 Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 2wad h ASN 674 Cb 0.32 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 2wad h ASN 674 CO 0.00 0.48 -0.04 -0.61 -1.29 0.00 0.00 177.43 175.98 2wad h GLN 675 N 0.93 0.00 0.00 6.67 4.15 -1.19 -2.83 115.11 122.83 2wad h GLN 675 Ca 0.41 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.66 2wad h GLN 675 Cb 0.30 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 2wad h GLN 675 CO -0.22 0.04 -1.69 1.58 -1.93 0.00 0.00 178.83 176.61 2wad n HIS 676 N -3.15 0.00 -3.57 3.99 -0.00 -0.41 -4.72 115.22 107.36 2wad n HIS 676 Ca 0.00 0.00 -0.27 0.00 0.46 0.00 0.00 57.72 57.91 2wad n HIS 676 Cb 0.32 -0.49 -0.10 0.00 -0.12 0.00 0.00 29.99 29.59 2wad n HIS 676 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2wad n HIS 677 N -2.34 0.85 -1.55 1.57 -0.00 0.43 -5.08 115.22 109.10 2wad n HIS 677 Ca -0.15 -3.73 -0.57 0.00 -0.00 0.00 0.00 57.72 53.27 2wad n HIS 677 Cb 0.78 -0.14 -0.08 0.00 -0.00 0.00 0.00 29.99 30.55 2wad n HIS 677 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2wad n PRO 678 N 2.33 0.80 -0.03 1.57 -0.02 -1.07 -4.43 135.00 134.14 2wad n PRO 678 Ca 0.26 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 2wad n PRO 678 Cb 0.43 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 2wad n PRO 678 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2wad h MET 679 N 8.86 0.16 0.00 -0.52 2.86 -1.89 -3.51 114.93 120.88 2wad h MET 679 Ca -0.34 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 2wad h MET 679 Cb 1.34 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.10 2wad h MET 679 CO 1.01 1.13 0.00 0.09 1.06 0.00 0.00 176.91 180.19