#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3x s THR 7 N 0.00 2.75 0.23 0.52 2.01 -1.26 -4.95 115.64 114.94 3h3x s THR 7 Ca 0.00 0.36 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 3h3x s THR 7 Cb 0.00 -3.23 -0.13 0.00 0.01 0.00 0.00 72.50 69.14 3h3x s THR 7 CO 0.00 0.01 1.43 -2.65 -0.69 0.00 0.00 174.62 172.72 3h3x n PRO 8 N 4.98 2.06 -3.65 4.92 -0.02 -1.26 -4.99 135.00 137.05 3h3x n PRO 8 Ca 0.16 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.30 3h3x n PRO 8 Cb 0.39 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 3h3x n PRO 8 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h3x s GLN 9 N -0.29 0.38 0.31 -0.52 0.74 -1.26 -3.93 119.66 115.09 3h3x s GLN 9 Ca 0.69 1.12 -0.05 0.00 0.05 0.00 0.00 55.36 57.16 3h3x s GLN 9 Cb -0.65 0.43 0.07 0.00 1.10 0.00 0.00 33.01 33.97 3h3x s GLN 9 CO 0.49 -0.25 0.37 -1.13 -0.55 0.00 0.00 175.29 174.22 3h3x n SER 10 N 5.40 -0.40 -0.83 6.67 3.41 0.08 -4.89 113.62 123.06 3h3x n SER 10 Ca -0.09 -1.00 0.07 0.00 -0.26 0.00 0.00 58.87 57.59 3h3x n SER 10 Cb 0.49 -0.30 0.21 0.00 -0.26 0.00 0.00 64.21 64.35 3h3x n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h3x n THR 11 N -2.75 1.43 -1.74 6.66 -2.24 -1.26 -3.21 114.28 111.16 3h3x n THR 11 Ca 0.05 -1.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.16 3h3x n THR 11 Cb 0.17 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.65 3h3x n THR 11 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3h3x n PHE 12 N 0.35 2.82 -4.01 4.78 7.35 -1.26 -4.00 117.46 123.49 3h3x n PHE 12 Ca 0.16 0.30 -0.30 0.00 -0.76 0.00 0.00 57.45 56.85 3h3x n PHE 12 Cb 0.61 -2.58 -0.16 0.00 0.35 0.00 0.00 39.48 37.70 3h3x n PHE 12 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h3x s THR 13 N -0.19 1.59 -5.00 -2.13 2.01 -1.26 -0.45 115.64 110.21 3h3x s THR 13 Ca 0.62 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.87 3h3x s THR 13 Cb -0.50 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.45 3h3x s THR 13 CO 0.51 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 3h3x n GLY 14 N 4.74 -2.67 3.80 4.40 0.00 0.43 -4.97 105.19 110.92 3h3x n GLY 14 Ca -0.16 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 3h3x n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h3x s PRO 15 N -1.95 4.11 -0.04 1.61 0.04 -1.26 -0.10 135.00 137.40 3h3x s PRO 15 Ca 0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 3h3x s PRO 15 Cb 0.00 -2.32 0.01 0.00 0.04 0.00 0.00 34.50 32.22 3h3x s PRO 15 CO 0.00 -0.16 -0.11 0.42 0.04 0.00 0.00 177.00 177.19 3h3x s ILE 16 N -1.90 0.99 -0.11 0.56 1.01 -0.34 -4.91 121.20 116.49 3h3x s ILE 16 Ca 0.61 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.84 3h3x s ILE 16 Cb -0.16 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 3h3x s ILE 16 CO 0.21 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.58 3h3x s VAL 17 N 0.38 2.57 -0.28 2.92 1.01 -1.26 -1.19 120.40 124.55 3h3x s VAL 17 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3h3x s VAL 17 Cb -0.12 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.30 3h3x s VAL 17 CO 0.02 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.89 3h3x s VAL 18 N 0.28 2.21 -0.22 2.92 1.01 -0.06 -4.99 120.40 121.54 3h3x s VAL 18 Ca -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 61.98 60.03 3h3x s VAL 18 Cb -0.16 -2.37 0.11 0.00 0.00 0.00 0.00 36.38 33.96 3h3x s VAL 18 CO 0.07 -0.14 0.38 -0.62 0.00 0.00 0.00 175.10 174.78 3h3x s ASP 19 N 1.07 0.11 0.39 3.32 -1.08 -1.26 -1.60 116.67 117.61 3h3x s ASP 19 Ca -0.05 0.52 -0.18 0.00 -0.52 0.00 0.00 52.55 52.31 3h3x s ASP 19 Cb -0.20 1.14 -0.10 0.00 -1.46 0.00 0.00 42.92 42.30 3h3x s ASP 19 CO -0.06 -0.27 0.86 -2.16 0.52 0.00 0.00 175.17 174.07 3h3x s PRO 20 N 2.55 4.13 -0.38 4.34 0.04 -1.26 -5.09 135.00 139.32 3h3x s PRO 20 Ca 0.06 0.93 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3h3x s PRO 20 Cb -0.14 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3h3x s PRO 20 CO -0.14 0.04 1.18 0.42 0.04 0.00 0.00 177.00 178.54 3h3x s ILE 21 N -2.12 4.25 0.82 0.56 -1.09 -0.94 -5.03 121.20 117.66 3h3x s ILE 21 Ca 0.59 1.37 -0.08 0.00 -2.23 0.00 0.00 60.65 60.30 3h3x s ILE 21 Cb -0.09 -4.41 0.15 0.00 -1.58 0.00 0.00 42.46 36.53 3h3x s ILE 21 CO 0.15 -0.71 1.14 0.42 -1.23 0.00 0.00 174.94 174.71 3h3x s THR 22 N 4.29 2.09 -1.41 2.92 -4.23 -1.26 -4.51 115.64 113.54 3h3x s THR 22 Ca 0.50 -0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.61 3h3x s THR 22 Cb -0.11 -2.78 0.04 0.00 1.34 0.00 0.00 72.50 70.98 3h3x s THR 22 CO 0.25 0.00 1.03 0.54 -0.54 0.00 0.00 174.62 175.90 3h3x n ARG 23 N -3.24 -6.53 -4.20 3.99 1.74 -1.26 -5.00 116.66 102.15 3h3x n ARG 23 Ca 0.14 0.72 -0.12 0.00 -0.77 0.00 0.00 57.85 57.82 3h3x n ARG 23 Cb 0.60 -5.65 -0.10 0.00 -1.02 0.00 0.00 32.46 26.30 3h3x n ARG 23 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3h3x s ILE 24 N -3.36 0.00 -0.14 0.55 -4.36 -1.26 -4.79 121.20 107.84 3h3x s ILE 24 Ca 0.49 -1.98 -0.26 0.00 -0.26 0.00 0.00 60.65 58.64 3h3x s ILE 24 Cb -0.23 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 3h3x s ILE 24 CO 0.78 0.00 0.85 -0.70 0.24 0.00 0.00 174.94 176.10 3h3x s GLU 25 N -4.12 4.34 0.55 0.37 -6.30 -1.06 -4.99 118.70 107.49 3h3x s GLU 25 Ca 0.39 1.06 0.00 0.00 -2.50 0.00 0.00 54.97 53.92 3h3x s GLU 25 Cb 0.07 -3.55 0.00 0.00 0.00 0.00 0.00 34.13 30.64 3h3x s GLU 25 CO 0.13 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.54 3h3x n GLY 26 N 3.35 -1.79 3.00 -1.50 0.00 -1.26 -0.24 105.19 106.75 3h3x n GLY 26 Ca 0.04 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 3h3x n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3x s HIS 27 N 0.00 3.07 -0.05 1.61 3.76 -1.26 -4.86 115.29 117.56 3h3x s HIS 27 Ca 0.00 -2.33 0.04 0.00 -0.15 0.00 0.00 55.06 52.63 3h3x s HIS 27 Cb 0.00 -2.10 -0.00 0.00 1.11 0.00 0.00 32.58 31.59 3h3x s HIS 27 CO 0.00 -0.87 -0.17 -1.17 -0.85 0.00 0.00 174.74 171.68 3h3x s LEU 28 N 1.16 1.90 -0.09 0.89 2.96 -1.26 -0.23 118.68 124.01 3h3x s LEU 28 Ca -0.01 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 3h3x s LEU 28 Cb -0.19 -0.99 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3h3x s LEU 28 CO -0.08 0.14 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.36 3h3x s ARG 29 N 0.13 2.95 -0.16 1.98 3.52 0.16 -2.21 118.95 125.32 3h3x s ARG 29 Ca -0.06 -0.68 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 3h3x s ARG 29 Cb -0.12 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.74 3h3x s ARG 29 CO 0.03 0.42 -0.11 0.42 -0.81 0.00 0.00 175.30 175.25 3h3x s ILE 30 N -0.20 3.11 -0.09 4.11 -1.09 -0.63 -0.62 121.20 125.79 3h3x s ILE 30 Ca 0.00 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 3h3x s ILE 30 Cb -0.13 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3h3x s ILE 30 CO 0.03 0.50 -0.14 -0.04 -1.23 0.00 0.00 174.94 174.06 3h3x s MET 31 N 0.70 2.92 0.03 2.79 -1.94 -0.53 -0.89 119.30 122.40 3h3x s MET 31 Ca -0.05 -0.70 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 3h3x s MET 31 Cb -0.15 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.18 3h3x s MET 31 CO 0.02 0.42 -0.08 0.14 -0.01 0.00 0.00 175.02 175.51 3h3x s VAL 32 N -0.19 0.57 -0.15 -6.03 -7.23 -0.34 -0.73 120.40 106.30 3h3x s VAL 32 Ca -0.00 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.13 3h3x s VAL 32 Cb -0.13 -0.60 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 3h3x s VAL 32 CO 0.03 -0.26 0.27 -1.61 -0.31 0.00 0.00 175.10 173.22 3h3x s GLU 33 N -1.27 4.17 -0.03 4.82 0.41 -0.22 -1.20 118.70 125.38 3h3x s GLU 33 Ca -0.07 0.05 0.05 0.00 -0.41 0.00 0.00 54.97 54.60 3h3x s GLU 33 Cb -0.08 -3.40 -0.03 0.00 -1.78 0.00 0.00 34.13 28.84 3h3x s GLU 33 CO 0.00 0.31 -0.17 0.08 -0.49 0.00 0.00 175.26 174.99 3h3x s VAL 34 N 0.26 2.79 -0.04 2.63 1.01 0.86 -0.89 120.40 127.02 3h3x s VAL 34 Ca 0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3h3x s VAL 34 Cb -0.13 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3h3x s VAL 34 CO 0.04 0.56 -0.00 -0.70 0.00 0.00 0.00 175.10 174.99 3h3x s GLU 35 N -0.80 0.45 -1.07 2.72 2.12 0.19 -0.43 118.70 121.88 3h3x s GLU 35 Ca 0.12 0.08 -0.27 0.00 0.36 0.00 0.00 54.97 55.26 3h3x s GLU 35 Cb -0.10 -0.68 0.04 0.00 0.26 0.00 0.00 34.13 33.64 3h3x s GLU 35 CO 0.01 -0.19 0.51 0.09 -0.54 0.00 0.00 175.26 175.14 3h3x n ASN 36 N 4.51 -2.98 0.00 -1.70 3.02 -0.96 -2.01 115.26 115.14 3h3x n ASN 36 Ca -0.19 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 3h3x n ASN 36 Cb 0.50 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3h3x n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3x n GLY 37 N -1.99 0.30 3.30 7.41 0.00 0.40 -4.74 105.19 109.87 3h3x n GLY 37 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3h3x n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 38 N -0.92 1.42 -0.01 1.61 1.02 -0.85 -0.49 119.74 121.52 3h3x s LYS 38 Ca 0.00 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.61 3h3x s LYS 38 Cb 0.00 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 35.63 3h3x s LYS 38 CO 0.00 0.41 1.32 0.08 -0.92 0.00 0.00 175.35 176.23 3h3x s VAL 39 N -0.92 3.90 -0.05 3.17 1.01 -0.09 -0.64 120.40 126.78 3h3x s VAL 39 Ca 0.09 1.28 0.13 0.00 0.00 0.00 0.00 61.98 63.48 3h3x s VAL 39 Cb -0.09 -3.82 -0.20 0.00 0.00 0.00 0.00 36.38 32.27 3h3x s VAL 39 CO 0.03 0.01 0.23 2.29 0.00 0.00 0.00 175.10 177.66 3h3x n LYS 40 N 5.12 0.85 -3.66 2.72 2.85 -0.07 -0.75 118.16 125.21 3h3x n LYS 40 Ca 0.12 -0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.17 3h3x n LYS 40 Cb 0.45 -1.32 -0.06 0.00 -0.65 0.00 0.00 35.03 33.45 3h3x n LYS 40 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3h3x s ASP 41 N -3.84 -0.26 0.05 -5.58 -1.08 -1.13 -4.94 116.67 99.89 3h3x s ASP 41 Ca -0.05 -0.12 -0.13 0.00 -0.52 0.00 0.00 52.55 51.73 3h3x s ASP 41 Cb 0.07 0.44 0.02 0.00 -1.46 0.00 0.00 42.92 41.99 3h3x s ASP 41 CO 0.55 -0.73 0.29 0.00 0.52 0.00 0.00 175.17 175.80 3h3x s ALA 42 N -2.94 -0.63 -0.06 3.66 0.00 -1.26 -1.05 121.76 119.48 3h3x s ALA 42 Ca -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 3h3x s ALA 42 Cb 0.00 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.52 3h3x s ALA 42 CO -0.06 -0.44 0.15 -1.58 0.00 0.00 0.00 175.76 173.83 3h3x s TRP 43 N -2.80 -0.16 -0.38 0.00 0.51 0.09 -4.94 118.94 111.26 3h3x s TRP 43 Ca -0.03 0.46 -0.07 0.00 -2.12 0.00 0.00 56.10 54.34 3h3x s TRP 43 Cb 0.00 -0.05 0.07 0.00 -0.81 0.00 0.00 33.47 32.68 3h3x s TRP 43 CO -0.05 -0.14 0.18 0.45 -0.51 0.00 0.00 176.95 176.87 3h3x s SER 44 N 0.90 5.42 -0.35 2.95 0.15 -1.26 -1.45 113.70 120.06 3h3x s SER 44 Ca -0.07 -1.42 -0.03 0.00 0.70 0.00 0.00 55.95 55.14 3h3x s SER 44 Cb -0.09 -1.91 0.07 0.00 -1.71 0.00 0.00 66.02 62.39 3h3x s SER 44 CO -0.04 -0.44 0.10 -0.55 1.20 0.00 0.00 173.24 173.50 3h3x s SER 45 N 1.75 5.11 0.13 5.45 0.15 0.20 -4.40 113.70 122.10 3h3x s SER 45 Ca 0.01 -1.55 -0.30 0.00 0.70 0.00 0.00 55.95 54.82 3h3x s SER 45 Cb -0.21 -1.79 -0.06 0.00 -1.71 0.00 0.00 66.02 62.25 3h3x s SER 45 CO 0.01 -0.38 0.98 -0.44 1.20 0.00 0.00 173.24 174.61 3h3x s SER 46 N 1.51 7.47 0.00 5.45 0.01 -1.26 0.38 113.70 127.26 3h3x s SER 46 Ca 0.01 1.85 0.06 0.00 1.31 0.00 0.00 55.95 59.18 3h3x s SER 46 Cb -0.21 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.58 3h3x s SER 46 CO -0.02 -0.07 1.04 0.00 0.41 0.00 0.00 173.24 174.60 3h3x n GLN 47 N 2.64 2.24 -3.99 12.44 1.13 0.68 -2.61 117.38 129.92 3h3x n GLN 47 Ca 0.02 -1.60 -0.15 0.00 -1.94 0.00 0.00 57.00 53.33 3h3x n GLN 47 Cb 0.49 -1.15 -0.15 0.00 0.11 0.00 0.00 30.24 29.54 3h3x n GLN 47 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3h3x s LEU 48 N -0.89 1.74 -0.05 1.08 2.96 -1.26 -5.02 118.68 117.24 3h3x s LEU 48 Ca 0.12 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 3h3x s LEU 48 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 3h3x s LEU 48 CO 0.09 -0.01 -0.22 0.12 -1.32 0.00 0.00 176.35 175.00 3h3x s PHE 49 N 0.27 2.18 -0.04 5.38 5.36 -1.26 -4.86 117.98 125.02 3h3x s PHE 49 Ca -0.02 -0.63 -0.01 0.00 -0.96 0.00 0.00 56.93 55.31 3h3x s PHE 49 Cb -0.05 -1.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.17 3h3x s PHE 49 CO -0.01 -0.19 -0.04 0.54 -1.46 0.00 0.00 175.22 174.06 3h3x n ARG 50 N 2.98 0.09 -1.41 10.12 1.74 -1.26 -5.09 116.66 123.83 3h3x n ARG 50 Ca -0.17 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 3h3x n ARG 50 Cb 0.52 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 3h3x n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3x n GLY 51 N 3.01 0.97 0.37 -0.13 0.00 -0.98 -4.98 105.19 103.44 3h3x n GLY 51 Ca -0.08 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.62 3h3x n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h3x h LEU 52 N 0.00 0.88 -0.74 0.99 3.38 -1.47 -1.28 115.31 117.07 3h3x h LEU 52 Ca 0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3h3x h LEU 52 Cb 0.56 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3h3x h LEU 52 CO 0.00 0.53 0.42 -0.33 0.09 0.00 0.00 178.44 179.16 3h3x h GLU 53 N 0.98 0.73 -0.01 1.13 5.08 -1.83 -0.77 114.58 119.88 3h3x h GLU 53 Ca 0.42 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3h3x h GLU 53 Cb 0.32 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3h3x h GLU 53 CO -0.18 0.48 0.00 0.82 -1.00 0.00 0.00 179.01 179.14 3h3x h ILE 54 N 0.75 1.17 -0.72 3.13 2.04 -1.60 -3.10 117.51 119.18 3h3x h ILE 54 Ca 0.34 -0.50 0.13 0.00 1.00 0.00 0.00 64.86 65.84 3h3x h ILE 54 Cb 0.25 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 3h3x h ILE 54 CO -0.21 0.13 0.48 0.40 0.00 0.00 0.00 178.15 178.95 3h3x h ILE 55 N -0.19 0.84 0.00 -0.67 2.04 -0.89 -2.41 117.51 116.23 3h3x h ILE 55 Ca 0.00 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 3h3x h ILE 55 Cb 0.21 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3h3x h ILE 55 CO -0.00 0.08 -0.16 -0.07 0.00 0.00 0.00 178.15 178.00 3h3x h LEU 56 N 0.45 0.00 -9.43 1.44 3.38 -1.07 -3.45 115.31 106.63 3h3x h LEU 56 Ca 0.35 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.72 3h3x h LEU 56 Cb 0.73 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.52 3h3x h LEU 56 CO -0.11 0.16 0.90 1.17 0.09 0.00 0.00 178.44 180.65 3h3x n LYS 57 N -3.29 2.15 -0.44 1.13 4.81 -0.91 -1.38 118.16 120.24 3h3x n LYS 57 Ca 0.01 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 3h3x n LYS 57 Cb 0.41 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.89 3h3x n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h3x n GLY 58 N 3.74 1.54 3.96 3.14 0.00 0.53 -4.99 105.19 113.12 3h3x n GLY 58 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3h3x n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x s ARG 59 N -0.21 1.87 -0.11 1.61 0.52 -0.48 -4.60 118.95 117.55 3h3x s ARG 59 Ca 0.00 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 54.27 3h3x s ARG 59 Cb 0.00 -2.23 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 3h3x s ARG 59 CO 0.00 -1.38 1.51 0.34 0.02 0.00 0.00 175.30 175.79 3h3x s ASP 60 N -4.62 6.73 0.52 0.23 -1.08 -1.26 -1.47 116.67 115.72 3h3x s ASP 60 Ca 0.64 1.97 0.34 0.00 -0.52 0.00 0.00 52.55 54.97 3h3x s ASP 60 Cb -0.08 -2.53 1.49 0.00 -1.46 0.00 0.00 42.92 40.34 3h3x s ASP 60 CO 0.45 -0.91 1.81 -0.65 0.52 0.00 0.00 175.17 176.39 3h3x h PRO 61 N 9.19 0.05 -0.04 4.34 0.11 -1.91 0.14 132.00 143.89 3h3x h PRO 61 Ca -0.34 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.78 3h3x h PRO 61 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h3x h PRO 61 CO 0.97 0.03 0.03 0.00 -0.21 0.00 0.00 178.00 178.82 3h3x h ARG 62 N 0.05 0.00 0.00 1.05 3.08 -1.95 -2.64 114.38 113.96 3h3x h ARG 62 Ca 0.56 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.59 3h3x h ARG 62 Cb 2.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.17 3h3x h ARG 62 CO -0.05 0.00 -0.08 -0.44 -1.07 0.00 0.00 179.97 178.33 3h3x h ASP 63 N 0.00 0.00 -0.48 7.04 3.32 -1.09 -3.39 116.42 121.82 3h3x h ASP 63 Ca 0.02 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.16 3h3x h ASP 63 Cb 0.08 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 3h3x h ASP 63 CO -0.00 0.08 -0.33 0.00 -1.72 0.00 0.00 179.24 177.27 3h3x h ALA 64 N 1.92 -0.13 -0.86 3.45 0.00 -1.51 -0.24 119.26 121.88 3h3x h ALA 64 Ca -0.00 0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3h3x h ALA 64 Cb 1.04 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 3h3x h ALA 64 CO 0.01 -0.71 0.59 -0.56 0.00 0.00 0.00 179.25 178.58 3h3x h GLN 65 N -0.22 0.19 0.03 0.00 3.07 -1.80 0.32 115.11 116.69 3h3x h GLN 65 Ca 0.20 -0.01 -0.25 0.00 0.09 0.00 0.00 58.65 58.67 3h3x h GLN 65 Cb 0.54 -0.04 0.01 0.00 0.08 0.00 0.00 27.48 28.07 3h3x h GLN 65 CO -0.60 0.13 -1.03 0.45 0.09 0.00 0.00 178.83 177.87 3h3x h HIS 66 N 0.20 0.76 -0.08 0.06 3.86 -1.32 -1.66 115.15 116.96 3h3x h HIS 66 Ca 0.43 -0.43 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 3h3x h HIS 66 Cb 1.37 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.76 3h3x h HIS 66 CO -0.00 1.27 -0.15 0.74 0.86 0.00 0.00 177.93 180.65 3h3x h PHE 67 N 0.27 0.30 0.00 2.45 -1.00 -1.03 -3.34 116.94 114.59 3h3x h PHE 67 Ca -0.11 -0.11 -0.10 0.00 2.81 0.00 0.00 57.97 60.46 3h3x h PHE 67 Cb 1.68 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.17 3h3x h PHE 67 CO 0.08 0.75 -0.49 1.79 -1.61 0.00 0.00 178.31 178.83 3h3x h THR 68 N -0.24 1.15 -0.92 -1.55 1.35 -0.47 -1.77 112.91 110.46 3h3x h THR 68 Ca 0.00 -1.80 0.18 0.00 -0.55 0.00 0.00 66.41 64.25 3h3x h THR 68 Cb 0.73 2.02 -0.08 0.00 -1.73 0.00 0.00 68.15 69.10 3h3x h THR 68 CO 0.03 0.48 0.59 -0.61 -0.25 0.00 0.00 175.52 175.77 3h3x h GLN 69 N 0.00 0.56 0.00 4.72 4.15 -1.42 0.00 115.11 123.13 3h3x h GLN 69 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3h3x h GLN 69 Cb 0.99 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3h3x h GLN 69 CO 0.06 0.37 0.00 0.54 -1.93 0.00 0.00 178.83 177.88 3h3x n ARG 70 N -4.58 0.88 -0.04 1.69 3.00 -0.67 -2.70 116.66 114.25 3h3x n ARG 70 Ca 0.19 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 58.16 3h3x n ARG 70 Cb 0.59 -1.38 0.54 0.00 0.00 0.00 0.00 32.46 32.21 3h3x n ARG 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h3x h ALA 71 N 3.52 2.08 -1.92 7.54 0.00 -1.06 -3.44 119.26 125.97 3h3x h ALA 71 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h3x h ALA 71 Cb 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.51 3h3x h ALA 71 CO 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 179.25 179.18 3h3x n GLY 73 N 3.58 0.01 0.06 0.00 0.00 -1.26 -3.58 105.19 104.00 3h3x n GLY 73 Ca -0.17 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.25 3h3x n GLY 73 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3h3x h MET 74 N 2.16 0.00 -2.10 1.61 4.05 -1.95 -3.31 114.93 115.38 3h3x h MET 74 Ca 0.00 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 3h3x h MET 74 Cb 0.66 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.35 3h3x h MET 74 CO 0.00 0.17 0.31 0.00 0.23 0.00 0.00 176.91 177.63 3h3x n THR 76 N 1.98 0.00 0.00 0.00 5.66 -1.24 -3.21 114.28 117.47 3h3x n THR 76 Ca 0.49 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 3h3x n THR 76 Cb 0.71 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 3h3x n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h3x n TYR 77 N -4.17 0.00 -0.20 1.09 9.36 -1.26 -4.72 117.16 117.26 3h3x n TYR 77 Ca 0.06 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.45 3h3x n TYR 77 Cb 0.55 0.00 0.51 0.00 -0.63 0.00 0.00 39.34 39.77 3h3x n TYR 77 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 3h3x h VAL 78 N 0.00 0.74 0.03 2.97 -1.51 -1.93 0.97 116.25 117.52 3h3x h VAL 78 Ca 0.00 -0.14 -0.22 0.00 -1.23 0.00 0.00 66.70 65.11 3h3x h VAL 78 Cb 0.00 0.29 -0.02 0.00 -2.13 0.00 0.00 31.29 29.43 3h3x h VAL 78 CO 0.00 0.07 -1.02 0.45 -1.23 0.00 0.00 177.57 175.84 3h3x h HIS 79 N 0.41 0.12 -0.54 5.19 3.86 -1.84 0.03 115.15 122.37 3h3x h HIS 79 Ca 0.42 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.51 3h3x h HIS 79 Cb 1.01 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 3h3x h HIS 79 CO -0.00 1.04 0.19 0.00 0.86 0.00 0.00 177.93 180.02 3h3x h ALA 80 N 0.93 0.71 -0.13 2.45 0.00 -1.08 -0.99 119.26 121.15 3h3x h ALA 80 Ca -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3h3x h ALA 80 Cb 1.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3h3x h ALA 80 CO 0.14 0.34 0.06 1.25 0.00 0.00 0.00 179.25 181.05 3h3x h LEU 81 N 0.74 0.17 -0.58 0.00 5.85 -0.93 -1.35 115.31 119.22 3h3x h LEU 81 Ca 0.18 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3h3x h LEU 81 Cb 0.24 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3h3x h LEU 81 CO -0.01 0.26 0.39 0.00 -0.34 0.00 0.00 178.44 178.73 3h3x h ALA 82 N 0.92 0.74 -0.51 1.25 0.00 -0.87 -1.34 119.26 119.45 3h3x h ALA 82 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3h3x h ALA 82 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3h3x h ALA 82 CO -0.00 0.17 -0.03 0.77 0.00 0.00 0.00 179.25 180.16 3h3x h SER 83 N 0.79 0.85 -0.43 0.00 0.02 -1.13 -1.14 113.55 112.51 3h3x h SER 83 Ca 0.21 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3h3x h SER 83 Cb -0.09 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3h3x h SER 83 CO -0.05 0.93 0.11 0.28 -1.14 0.00 0.00 176.83 176.96 3h3x h SER 84 N 0.80 0.65 -0.77 3.07 0.02 -0.91 0.86 113.55 117.28 3h3x h SER 84 Ca 0.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3h3x h SER 84 Cb 0.52 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 3h3x h SER 84 CO 0.03 0.71 0.45 0.03 -1.14 0.00 0.00 176.83 176.91 3h3x h ARG 85 N 0.56 1.05 0.22 3.45 3.08 -1.16 0.12 114.38 121.70 3h3x h ARG 85 Ca 0.13 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3h3x h ARG 85 Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3h3x h ARG 85 CO 0.00 0.75 -0.11 0.00 -1.07 0.00 0.00 179.97 179.54 3h3x h VAL 87 N -0.31 1.29 -0.64 0.00 2.07 -0.77 -1.18 116.25 116.72 3h3x h VAL 87 Ca -0.03 -1.80 0.11 0.00 0.82 0.00 0.00 66.70 65.81 3h3x h VAL 87 Cb 0.24 1.73 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3h3x h VAL 87 CO 0.04 0.57 0.19 0.44 0.02 0.00 0.00 177.57 178.84 3h3x h ASP 88 N 0.56 0.12 -0.26 0.57 3.32 -0.55 0.45 116.42 120.63 3h3x h ASP 88 Ca 0.00 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3h3x h ASP 88 Cb 1.17 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3h3x h ASP 88 CO 0.12 0.06 0.08 -0.78 -1.72 0.00 0.00 179.24 177.00 3h3x h ASP 89 N 0.34 0.38 -0.49 6.45 3.58 -0.55 -0.41 116.42 125.72 3h3x h ASP 89 Ca 0.33 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.60 3h3x h ASP 89 Cb 0.48 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3h3x h ASP 89 CO -0.38 0.49 0.32 0.00 -2.88 0.00 0.00 179.24 176.79 3h3x h ALA 90 N 0.91 1.71 -0.02 -0.78 0.00 -0.63 -2.18 119.26 118.27 3h3x h ALA 90 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 90 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h3x h ALA 90 CO -0.00 0.25 -0.07 1.33 0.00 0.00 0.00 179.25 180.76 3h3x n VAL 91 N -4.47 0.00 -3.51 0.00 0.24 0.10 -4.61 118.33 106.08 3h3x n VAL 91 Ca 0.05 -0.31 -0.20 0.00 -2.04 0.00 0.00 64.34 61.84 3h3x n VAL 91 Cb 0.10 0.83 0.08 0.00 -1.47 0.00 0.00 33.84 33.38 3h3x n VAL 91 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h3x n LYS 92 N 0.39 -7.15 -4.23 7.34 4.76 -0.43 -4.71 118.16 114.13 3h3x n LYS 92 Ca 0.16 0.83 -0.35 0.00 -2.87 0.00 0.00 58.31 56.08 3h3x n LYS 92 Cb 0.43 -5.86 -0.09 0.00 -1.84 0.00 0.00 35.03 27.67 3h3x n LYS 92 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3h3x s VAL 93 N -3.35 4.60 -0.29 -0.18 0.11 -0.29 -5.03 120.40 115.96 3h3x s VAL 93 Ca 0.25 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 3h3x s VAL 93 Cb -0.11 -2.97 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 3h3x s VAL 93 CO 0.73 0.58 0.34 -0.55 -3.33 0.00 0.00 175.10 172.88 3h3x s SER 94 N -0.69 6.19 0.53 3.54 0.15 -1.26 -4.63 113.70 117.53 3h3x s SER 94 Ca 0.11 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.66 3h3x s SER 94 Cb -0.12 -2.19 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 3h3x s SER 94 CO 0.02 -0.20 1.16 0.27 1.20 0.00 0.00 173.24 175.69 3h3x s ILE 95 N 2.01 3.00 0.60 6.45 -4.36 -1.26 -4.76 121.20 122.88 3h3x s ILE 95 Ca 0.13 0.66 -0.20 0.00 -0.26 0.00 0.00 60.65 60.98 3h3x s ILE 95 Cb -0.16 -3.29 -0.03 0.00 1.25 0.00 0.00 42.46 40.23 3h3x s ILE 95 CO 0.11 -0.10 1.30 -2.84 0.24 0.00 0.00 174.94 173.64 3h3x s PRO 96 N -3.14 2.86 0.29 0.37 0.02 -1.26 -4.78 135.00 129.37 3h3x s PRO 96 Ca 0.71 2.08 0.03 0.00 0.02 0.00 0.00 61.00 63.85 3h3x s PRO 96 Cb -0.27 -2.02 0.74 0.00 0.02 0.00 0.00 34.50 32.97 3h3x s PRO 96 CO 0.31 -1.36 1.65 0.00 -0.33 0.00 0.00 177.00 177.26 3h3x h ALA 97 N 0.97 1.33 -0.68 -1.55 0.00 -1.94 0.38 119.26 117.76 3h3x h ALA 97 Ca -0.51 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3h3x h ALA 97 Cb 1.32 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 3h3x h ALA 97 CO 0.55 -0.47 0.37 -0.91 0.00 0.00 0.00 179.25 178.79 3h3x h ASN 98 N 0.23 0.84 -0.44 0.00 2.35 -1.91 -1.02 115.58 115.62 3h3x h ASN 98 Ca 0.57 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 56.12 3h3x h ASN 98 Cb 1.15 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 3h3x h ASN 98 CO -0.65 0.69 -0.20 0.00 -1.65 0.00 0.00 177.43 175.62 3h3x h ALA 99 N 1.45 0.62 -0.23 -0.83 0.00 -1.20 -1.35 119.26 117.73 3h3x h ALA 99 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h3x h ALA 99 Cb 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3h3x h ALA 99 CO -0.04 0.60 0.07 -0.09 0.00 0.00 0.00 179.25 179.79 3h3x h ARG 100 N 0.76 0.17 -0.34 0.00 2.43 -0.77 -0.63 114.38 116.00 3h3x h ARG 100 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3h3x h ARG 100 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3h3x h ARG 100 CO 0.06 0.11 0.13 0.52 -1.51 0.00 0.00 179.97 179.28 3h3x h MET 101 N 0.18 0.51 -0.52 0.20 2.86 -1.10 -1.74 114.93 115.32 3h3x h MET 101 Ca 0.10 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3h3x h MET 101 Cb 0.07 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3h3x h MET 101 CO -0.11 0.51 0.24 1.98 1.06 0.00 0.00 176.91 180.60 3h3x h MET 102 N 0.39 0.76 -0.48 1.72 1.85 -1.18 -0.84 114.93 117.16 3h3x h MET 102 Ca 0.11 -0.12 -0.03 0.00 -0.61 0.00 0.00 59.70 59.05 3h3x h MET 102 Cb 0.20 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3h3x h MET 102 CO -0.01 0.64 0.18 0.00 -0.40 0.00 0.00 176.91 177.32 3h3x h ARG 103 N 0.70 0.72 -0.55 0.39 3.08 -0.99 -2.42 114.38 115.31 3h3x h ARG 103 Ca 0.18 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3h3x h ARG 103 Cb 0.14 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3h3x h ARG 103 CO -0.02 0.66 0.04 -0.91 -1.07 0.00 0.00 179.97 178.67 3h3x h ASN 104 N 0.63 0.87 -0.62 7.04 4.21 -1.17 -2.35 115.58 124.19 3h3x h ASN 104 Ca 0.16 -0.21 -0.04 0.00 1.21 0.00 0.00 56.30 57.42 3h3x h ASN 104 Cb 0.22 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 3h3x h ASN 104 CO -0.01 0.90 0.23 -0.07 -1.29 0.00 0.00 177.43 177.19 3h3x h LEU 105 N 0.84 0.90 -0.70 1.61 3.38 -0.99 -1.05 115.31 119.31 3h3x h LEU 105 Ca 0.17 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3h3x h LEU 105 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3h3x h LEU 105 CO 0.02 0.83 -0.19 0.58 0.09 0.00 0.00 178.44 179.77 3h3x h VAL 106 N 0.95 1.27 -0.62 1.22 2.07 -1.28 -0.45 116.25 119.41 3h3x h VAL 106 Ca 0.22 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3h3x h VAL 106 Cb 0.23 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3h3x h VAL 106 CO -0.01 0.44 0.38 -0.03 0.02 0.00 0.00 177.57 178.37 3h3x h MET 107 N 0.71 0.74 -0.43 1.57 1.85 -1.15 -0.23 114.93 117.98 3h3x h MET 107 Ca 0.10 -0.04 0.03 0.00 -0.61 0.00 0.00 59.70 59.18 3h3x h MET 107 Cb 0.70 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.53 3h3x h MET 107 CO 0.05 0.49 0.23 0.00 -0.40 0.00 0.00 176.91 177.28 3h3x h ALA 108 N 1.26 0.54 -0.80 0.39 0.00 -0.60 -0.31 119.26 119.74 3h3x h ALA 108 Ca 0.24 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h3x h ALA 108 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h3x h ALA 108 CO -0.09 -0.11 0.53 0.77 0.00 0.00 0.00 179.25 180.34 3h3x h SER 109 N 0.46 0.92 -0.61 0.00 0.02 -0.85 -2.23 113.55 111.26 3h3x h SER 109 Ca 0.18 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3h3x h SER 109 Cb 0.06 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 3h3x h SER 109 CO -0.11 0.66 0.39 -0.61 -1.14 0.00 0.00 176.83 176.02 3h3x h GLN 110 N 1.08 0.76 -0.58 3.45 5.75 -0.41 -1.52 115.11 123.65 3h3x h GLN 110 Ca 0.29 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.79 3h3x h GLN 110 Cb -0.12 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.21 3h3x h GLN 110 CO -0.06 0.50 0.32 1.88 -2.65 0.00 0.00 178.83 178.82 3h3x h TYR 111 N 0.78 0.60 -0.17 3.99 -1.99 -0.52 0.47 116.97 120.14 3h3x h TYR 111 Ca 0.23 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.96 3h3x h TYR 111 Cb -0.04 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 3h3x h TYR 111 CO -0.04 0.31 0.01 -0.07 -0.00 0.00 0.00 178.16 178.37 3h3x h LEU 112 N 0.62 0.28 -0.08 3.88 3.38 -1.07 -1.21 115.31 121.11 3h3x h LEU 112 Ca 0.25 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h3x h LEU 112 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3h3x h LEU 112 CO -0.14 0.50 0.05 -0.74 0.09 0.00 0.00 178.44 178.20 3h3x h HIS 113 N 0.05 0.10 -0.04 1.13 2.76 -1.07 -2.91 115.15 115.16 3h3x h HIS 113 Ca 0.05 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3h3x h HIS 113 Cb 0.35 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 3h3x h HIS 113 CO 0.03 0.07 0.01 0.22 -1.30 0.00 0.00 177.93 176.96 3h3x h ASP 114 N 0.10 0.07 -0.11 3.26 1.82 -0.78 -2.34 116.42 118.45 3h3x h ASP 114 Ca 0.03 -0.27 -0.09 0.00 -0.39 0.00 0.00 57.03 56.31 3h3x h ASP 114 Cb -0.00 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 3h3x h ASP 114 CO -0.01 0.32 -0.21 0.45 -1.61 0.00 0.00 179.24 178.19 3h3x h HIS 115 N -0.18 0.58 0.28 0.28 3.86 -1.30 0.16 115.15 118.82 3h3x h HIS 115 Ca 0.01 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3h3x h HIS 115 Cb 0.28 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3h3x h HIS 115 CO 0.02 0.70 -0.13 -0.07 0.86 0.00 0.00 177.93 179.30 3h3x h LEU 116 N 0.47 -0.32 -0.84 2.43 3.38 -1.45 -2.07 115.31 116.91 3h3x h LEU 116 Ca 0.07 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.98 3h3x h LEU 116 Cb 0.62 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 3h3x h LEU 116 CO 0.04 0.05 0.46 0.58 0.09 0.00 0.00 178.44 179.66 3h3x h VAL 117 N -0.72 0.82 -0.14 1.22 2.07 -1.24 -2.51 116.25 115.76 3h3x h VAL 117 Ca -0.04 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3h3x h VAL 117 Cb 0.49 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3h3x h VAL 117 CO 0.06 0.13 0.05 -0.74 0.02 0.00 0.00 177.57 177.10 3h3x h HIS 118 N 0.72 0.21 0.34 1.57 -0.00 -0.57 0.64 115.15 118.07 3h3x h HIS 118 Ca 0.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.78 3h3x h HIS 118 Cb 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 3h3x h HIS 118 CO -0.07 0.30 -0.23 0.35 -0.00 0.00 0.00 177.93 178.28 3h3x h PHE 119 N 0.06 -0.61 -0.00 5.26 3.57 -1.21 0.26 116.94 124.26 3h3x h PHE 119 Ca 0.05 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3h3x h PHE 119 Cb 0.18 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3h3x h PHE 119 CO -0.01 -0.36 -0.12 1.88 -2.23 0.00 0.00 178.31 177.47 3h3x h TYR 120 N -0.57 0.13 0.00 0.41 0.05 -1.40 0.31 116.97 115.91 3h3x h TYR 120 Ca -0.03 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 3h3x h TYR 120 Cb 0.48 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 3h3x h TYR 120 CO -0.11 0.84 -1.96 0.72 -1.05 0.00 0.00 178.16 176.61 3h3x n HIS 121 N -4.62 0.00 -0.11 4.88 8.25 0.20 -3.85 115.22 119.97 3h3x n HIS 121 Ca -0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 3h3x n HIS 121 Cb 0.43 -0.48 -0.10 0.00 1.12 0.00 0.00 29.99 30.96 3h3x n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h3x n LEU 122 N -2.23 2.81 -0.10 2.41 4.77 -0.94 -4.85 117.00 118.87 3h3x n LEU 122 Ca -0.04 -0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 3h3x n LEU 122 Cb 0.55 -0.77 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 3h3x n LEU 122 CO 0.44 0.82 -1.21 1.57 -1.33 0.00 0.00 177.39 177.68 3h3x n HIS 123 N -3.27 0.26 0.07 -1.77 -0.00 0.88 -4.54 115.22 106.85 3h3x n HIS 123 Ca -0.40 0.06 0.04 0.00 0.46 0.00 0.00 57.72 57.88 3h3x n HIS 123 Cb 0.91 -1.04 0.46 0.00 -0.12 0.00 0.00 29.99 30.20 3h3x n HIS 123 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h3x h ALA 124 N 0.13 1.74 0.00 1.57 0.00 -0.48 -0.66 119.26 121.56 3h3x h ALA 124 Ca -0.54 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3h3x h ALA 124 Cb 1.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3h3x h ALA 124 CO -0.04 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3h3x n LEU 125 N -4.46 0.52 0.05 0.00 4.77 -1.26 -0.41 117.00 116.21 3h3x n LEU 125 Ca 0.01 0.68 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 3h3x n LEU 125 Cb 0.10 -0.67 0.49 0.00 -2.33 0.00 0.00 43.42 41.00 3h3x n LEU 125 CO 0.35 -0.70 0.89 0.47 -1.33 0.00 0.00 177.39 177.07 3h3x n ASP 126 N -2.14 0.31 0.00 -1.43 8.00 -0.25 -4.19 116.55 116.85 3h3x n ASP 126 Ca 0.01 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3h3x n ASP 126 Cb 0.12 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 3h3x n ASP 126 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3h3x n TRP 127 N -1.80 0.00 -4.34 1.24 7.02 0.45 -4.94 117.44 115.07 3h3x n TRP 127 Ca 0.05 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.19 3h3x n TRP 127 Cb 0.32 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.08 3h3x n TRP 127 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3h3x s VAL 128 N -1.62 3.59 -0.60 -0.99 1.01 0.03 -4.57 120.40 117.24 3h3x s VAL 128 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 3h3x s VAL 128 Cb 0.00 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.88 3h3x s VAL 128 CO 0.00 0.48 0.80 -0.62 0.00 0.00 0.00 175.10 175.75 3h3x s ASP 129 N 0.70 6.19 0.25 3.32 -1.08 -1.26 -4.65 116.67 120.15 3h3x s ASP 129 Ca -0.03 -1.17 -0.05 0.00 -0.52 0.00 0.00 52.55 50.79 3h3x s ASP 129 Cb -0.15 -2.35 0.30 0.00 -1.46 0.00 0.00 42.92 39.27 3h3x s ASP 129 CO 0.02 -1.21 1.92 0.58 0.52 0.00 0.00 175.17 177.00 3h3x h VAL 130 N 5.94 1.21 0.00 1.11 2.07 -1.93 -2.37 116.25 122.28 3h3x h VAL 130 Ca -0.29 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3h3x h VAL 130 Cb 1.08 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h3x h VAL 130 CO 1.11 0.24 0.00 0.71 0.02 0.00 0.00 177.57 179.65 3h3x h THR 131 N 1.32 0.00 0.00 2.57 1.35 -1.93 -2.62 112.91 113.59 3h3x h THR 131 Ca 0.39 -0.72 -0.06 0.00 -0.55 0.00 0.00 66.41 65.47 3h3x h THR 131 Cb -0.07 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3h3x h THR 131 CO -0.10 0.00 -0.27 0.00 -0.25 0.00 0.00 175.52 174.89 3h3x h ALA 132 N 2.07 1.42 -0.42 6.62 0.00 -1.80 -3.05 119.26 124.10 3h3x h ALA 132 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3h3x h ALA 132 Cb 0.76 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3h3x h ALA 132 CO 0.00 0.34 0.42 0.00 0.00 0.00 0.00 179.25 180.01 3h3x h ALA 133 N 1.73 2.15 0.00 0.00 0.00 -1.45 0.25 119.26 121.94 3h3x h ALA 133 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h3x h ALA 133 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3h3x h ALA 133 CO 0.04 -0.63 0.00 -0.07 0.00 0.00 0.00 179.25 178.58 3h3x h LEU 134 N 0.00 0.00 0.00 0.00 3.38 -1.70 -2.80 115.31 114.19 3h3x h LEU 134 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h3x h LEU 134 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3h3x h LEU 134 CO -0.00 0.00 -0.59 0.29 0.09 0.00 0.00 178.44 178.22 3h3x n LYS 135 N -2.99 0.11 -2.37 1.13 5.02 0.88 -4.92 118.16 115.03 3h3x n LYS 135 Ca 0.02 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 3h3x n LYS 135 Cb 0.38 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3h3x n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3x s ALA 136 N -3.07 3.44 -0.34 7.82 0.00 -1.06 -4.98 121.76 123.58 3h3x s ALA 136 Ca 0.09 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 3h3x s ALA 136 Cb 0.16 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.92 3h3x s ALA 136 CO 0.72 -0.31 0.89 0.34 0.00 0.00 0.00 175.76 177.40 3h3x s ASP 137 N -0.74 6.70 0.44 0.00 2.15 -1.26 -4.97 116.67 118.99 3h3x s ASP 137 Ca 0.46 0.66 0.11 0.00 0.43 0.00 0.00 52.55 54.21 3h3x s ASP 137 Cb -0.34 -2.45 0.96 0.00 -0.30 0.00 0.00 42.92 40.78 3h3x s ASP 137 CO 0.44 -0.77 2.02 -0.65 -0.17 0.00 0.00 175.17 176.05 3h3x h PRO 138 N 8.29 0.23 -0.18 4.34 0.11 -1.93 0.26 132.00 143.12 3h3x h PRO 138 Ca -0.23 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 3h3x h PRO 138 Cb 1.08 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3h3x h PRO 138 CO 0.95 0.25 -0.04 -0.91 -0.21 0.00 0.00 178.00 178.04 3h3x h ASN 139 N 0.23 0.24 0.63 -2.05 2.35 -1.93 -1.19 115.58 113.86 3h3x h ASN 139 Ca 0.06 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 3h3x h ASN 139 Cb 0.15 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3h3x h ASN 139 CO 0.00 0.32 -0.97 0.11 -1.65 0.00 0.00 177.43 175.25 3h3x h LYS 140 N 0.25 0.20 0.03 0.81 1.57 -1.38 -2.90 116.57 115.15 3h3x h LYS 140 Ca 0.06 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3h3x h LYS 140 Cb 0.24 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3h3x h LYS 140 CO 0.01 1.02 -0.01 0.00 -0.57 0.00 0.00 179.45 179.90 3h3x h ALA 141 N 0.89 -0.04 -0.82 3.86 0.00 -1.03 0.12 119.26 122.24 3h3x h ALA 141 Ca -0.06 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.85 3h3x h ALA 141 Cb 1.63 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 3h3x h ALA 141 CO 0.15 -0.33 0.28 0.00 0.00 0.00 0.00 179.25 179.35 3h3x h ALA 142 N 0.53 1.19 -0.41 0.00 0.00 -1.31 0.40 119.26 119.66 3h3x h ALA 142 Ca -0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3h3x h ALA 142 Cb 0.40 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3h3x h ALA 142 CO 0.01 -0.34 0.08 -0.22 0.00 0.00 0.00 179.25 178.78 3h3x h LYS 143 N 0.33 0.67 -0.29 0.00 3.64 -1.31 0.26 116.57 119.86 3h3x h LYS 143 Ca 0.49 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 3h3x h LYS 143 Cb 0.88 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3h3x h LYS 143 CO -0.53 0.70 0.07 1.25 -2.27 0.00 0.00 179.45 178.67 3h3x h LEU 144 N 0.53 0.45 -0.12 5.20 6.46 0.21 -3.08 115.31 124.96 3h3x h LEU 144 Ca 0.13 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 3h3x h LEU 144 Cb 0.35 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 3h3x h LEU 144 CO 0.01 0.56 -0.06 0.00 -0.62 0.00 0.00 178.44 178.33 3h3x h ALA 145 N 0.90 0.04 -0.40 1.25 0.00 -0.12 -2.34 119.26 118.59 3h3x h ALA 145 Ca 0.09 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.17 3h3x h ALA 145 Cb 0.29 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3h3x h ALA 145 CO 0.00 -0.52 0.54 0.00 0.00 0.00 0.00 179.25 179.28 3h3x h ALA 146 N 1.05 2.07 0.02 0.00 0.00 -0.41 -2.70 119.26 119.29 3h3x h ALA 146 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h3x h ALA 146 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h3x h ALA 146 CO -0.16 -0.75 -0.01 0.77 0.00 0.00 0.00 179.25 179.11 3h3x h SER 147 N 0.00 -0.03 -0.51 0.00 0.02 -1.34 -3.42 113.55 108.27 3h3x h SER 147 Ca 0.19 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 3h3x h SER 147 Cb 1.27 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.76 3h3x h SER 147 CO -0.00 0.55 0.13 2.30 -1.14 0.00 0.00 176.83 178.67 3h3x n ILE 148 N -4.77 2.20 -3.65 3.27 -5.35 -1.02 -4.90 119.36 105.14 3h3x n ILE 148 Ca -0.02 -1.14 -0.02 0.00 -0.27 0.00 0.00 62.75 61.30 3h3x n ILE 148 Cb 0.09 -0.41 -0.05 0.00 -1.74 0.00 0.00 39.64 37.53 3h3x n ILE 148 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3x s ALA 149 N -2.34 -2.17 0.77 -1.28 0.00 -1.20 -4.85 121.76 110.69 3h3x s ALA 149 Ca 0.41 1.82 -0.15 0.00 0.00 0.00 0.00 51.96 54.04 3h3x s ALA 149 Cb 0.32 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.81 3h3x s ALA 149 CO 0.11 -0.18 0.96 -2.30 0.00 0.00 0.00 175.76 174.35 3h3x n PRO 150 N 0.89 0.32 -2.27 0.00 -0.02 -1.26 -4.57 135.00 128.08 3h3x n PRO 150 Ca -0.03 0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3h3x n PRO 150 Cb 0.58 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 3h3x n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3x s ALA 151 N -1.97 3.49 -0.25 3.55 0.00 -1.26 -4.89 121.76 120.43 3h3x s ALA 151 Ca 0.71 1.05 -0.25 0.00 0.00 0.00 0.00 51.96 53.48 3h3x s ALA 151 Cb -0.32 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.41 3h3x s ALA 151 CO 0.53 -0.49 0.70 -0.98 0.00 0.00 0.00 175.76 175.52 3h3x s ARG 152 N -0.10 0.83 0.54 0.00 1.70 -1.26 -5.06 118.95 115.60 3h3x s ARG 152 Ca 0.56 0.92 0.27 0.00 -0.47 0.00 0.00 55.73 57.01 3h3x s ARG 152 Cb -0.35 0.40 1.52 0.00 -0.57 0.00 0.00 34.95 35.95 3h3x s ARG 152 CO 0.37 -0.11 2.11 -1.00 -1.08 0.00 0.00 175.30 175.60 3h3x h PRO 153 N 4.89 0.00 0.00 3.89 0.13 -2.00 -1.83 132.00 137.09 3h3x h PRO 153 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3h3x h PRO 153 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h3x h PRO 153 CO 0.09 0.09 0.00 0.78 -0.23 0.00 0.00 178.00 178.73 3h3x h GLY 154 N 0.61 0.00 -2.58 1.56 0.00 -2.00 -2.61 103.07 98.05 3h3x h GLY 154 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h3x h GLY 154 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3h3x n ASN 155 N -2.66 3.93 -4.75 0.19 3.02 -0.69 -4.53 115.26 109.77 3h3x n ASN 155 Ca -0.00 -2.05 -0.33 0.00 -0.03 0.00 0.00 54.58 52.17 3h3x n ASN 155 Cb 0.18 -0.47 0.08 0.00 -0.61 0.00 0.00 39.78 38.96 3h3x n ASN 155 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h3x s SER 156 N -1.00 4.56 0.29 6.41 1.04 -0.98 -4.39 113.70 119.64 3h3x s SER 156 Ca 0.47 2.12 0.02 0.00 0.48 0.00 0.00 55.95 59.04 3h3x s SER 156 Cb 0.25 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 64.40 3h3x s SER 156 CO 0.31 -2.00 1.83 0.00 0.98 0.00 0.00 173.24 174.36 3h3x h ALA 157 N -0.33 1.56 0.08 5.32 0.00 -1.91 0.80 119.26 124.78 3h3x h ALA 157 Ca -0.46 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h3x h ALA 157 Cb 1.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h3x h ALA 157 CO 0.51 0.18 -0.04 -0.22 0.00 0.00 0.00 179.25 179.68 3h3x h LYS 158 N 0.95 -0.11 -0.31 0.00 3.64 -1.91 0.15 116.57 118.98 3h3x h LYS 158 Ca 0.50 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.89 3h3x h LYS 158 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3h3x h LYS 158 CO -0.27 0.01 0.19 0.00 -2.27 0.00 0.00 179.45 177.10 3h3x h ALA 159 N 0.72 0.40 -0.11 5.00 0.00 -1.67 -2.33 119.26 121.27 3h3x h ALA 159 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3h3x h ALA 159 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h3x h ALA 159 CO 0.02 -0.10 -0.30 -0.07 0.00 0.00 0.00 179.25 178.79 3h3x h LEU 160 N 0.40 0.20 -0.51 0.00 3.38 -0.60 -2.15 115.31 116.02 3h3x h LEU 160 Ca 0.11 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3h3x h LEU 160 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3h3x h LEU 160 CO -0.02 0.50 -0.70 0.50 0.09 0.00 0.00 178.44 178.81 3h3x h LYS 161 N 0.18 0.23 -0.49 1.13 3.64 -0.58 -1.93 116.57 118.75 3h3x h LYS 161 Ca 0.03 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3h3x h LYS 161 Cb 0.63 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3h3x h LYS 161 CO 0.05 0.84 0.12 0.00 -2.27 0.00 0.00 179.45 178.18 3h3x h ALA 162 N 1.11 0.65 -0.42 5.00 0.00 -0.88 0.32 119.26 125.03 3h3x h ALA 162 Ca -0.02 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h3x h ALA 162 Cb 1.25 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3h3x h ALA 162 CO 0.11 0.34 0.17 0.28 0.00 0.00 0.00 179.25 180.16 3h3x h VAL 163 N 0.68 0.91 0.08 0.00 2.07 -1.37 0.25 116.25 118.86 3h3x h VAL 163 Ca 0.15 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 3h3x h VAL 163 Cb 0.34 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h3x h VAL 163 CO 0.00 0.07 -0.04 -0.61 0.02 0.00 0.00 177.57 177.01 3h3x h GLN 164 N 0.36 -0.10 -0.41 1.57 4.15 -1.05 -0.27 115.11 119.36 3h3x h GLN 164 Ca 0.19 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.70 3h3x h GLN 164 Cb 0.15 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.78 3h3x h GLN 164 CO -0.17 -0.03 -0.12 -0.44 -1.93 0.00 0.00 178.83 176.14 3h3x h ASP 165 N -0.14 -0.44 -0.50 -0.69 3.32 -0.27 0.19 116.42 117.88 3h3x h ASP 165 Ca -0.01 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.19 3h3x h ASP 165 Cb 0.12 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3h3x h ASP 165 CO 0.02 -0.16 0.30 0.11 -1.72 0.00 0.00 179.24 177.79 3h3x h LYS 166 N -0.03 0.59 -0.09 3.56 1.57 -0.53 -1.66 116.57 119.98 3h3x h LYS 166 Ca 0.20 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 3h3x h LYS 166 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3h3x h LYS 166 CO -0.44 0.39 -0.51 1.25 -0.57 0.00 0.00 179.45 179.57 3h3x h LEU 167 N 0.60 0.28 -0.16 2.94 5.85 -0.72 -2.00 115.31 122.10 3h3x h LEU 167 Ca 0.20 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3h3x h LEU 167 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3h3x h LEU 167 CO -0.09 0.74 0.03 0.50 -0.34 0.00 0.00 178.44 179.28 3h3x h LYS 168 N 0.20 0.26 -0.92 1.25 3.64 -0.07 -0.49 116.57 120.45 3h3x h LYS 168 Ca 0.01 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3h3x h LYS 168 Cb 0.96 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 3h3x h LYS 168 CO 0.08 0.42 0.59 0.00 -2.27 0.00 0.00 179.45 178.26 3h3x h ALA 169 N 0.83 1.26 -0.22 5.00 0.00 -1.21 -0.33 119.26 124.59 3h3x h ALA 169 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3h3x h ALA 169 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3h3x h ALA 169 CO 0.00 0.37 0.07 0.35 0.00 0.00 0.00 179.25 180.05 3h3x h PHE 170 N 1.08 0.36 -0.27 0.00 3.57 -1.07 -1.51 116.94 119.10 3h3x h PHE 170 Ca 0.39 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 3h3x h PHE 170 Cb 0.13 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3h3x h PHE 170 CO -0.02 0.42 -0.05 0.28 -2.23 0.00 0.00 178.31 176.72 3h3x h VAL 171 N 0.19 1.28 0.00 1.41 2.07 -0.82 -2.81 116.25 117.57 3h3x h VAL 171 Ca 0.07 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3h3x h VAL 171 Cb 0.23 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3h3x h VAL 171 CO -0.00 0.33 0.00 -0.33 0.02 0.00 0.00 177.57 177.59 3h3x h GLU 172 N 0.26 0.00 -0.51 1.57 5.08 -1.00 -2.64 114.58 117.33 3h3x h GLU 172 Ca 0.07 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 3h3x h GLU 172 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3h3x h GLU 172 CO 0.02 0.00 0.36 0.66 -1.00 0.00 0.00 179.01 179.06 3h3x h SER 173 N 0.00 0.08 0.00 1.42 4.64 -0.99 -3.46 113.55 115.24 3h3x h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h3x h SER 173 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3h3x h SER 173 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 3h3x n GLY 174 N -1.61 1.28 3.16 -0.77 0.00 -1.00 -5.00 105.19 101.25 3h3x n GLY 174 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3h3x n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h3x s GLN 175 N -0.57 2.50 0.04 1.61 -0.21 -1.26 -4.94 119.66 116.83 3h3x s GLN 175 Ca 0.00 -2.09 0.22 0.00 0.02 0.00 0.00 55.36 53.51 3h3x s GLN 175 Cb 0.00 -3.83 0.92 0.00 1.00 0.00 0.00 33.01 31.09 3h3x s GLN 175 CO 0.00 -1.17 1.70 1.28 -2.12 0.00 0.00 175.29 174.98 3h3x n LEU 176 N 4.28 0.14 0.00 2.90 4.77 -1.26 -4.84 117.00 122.98 3h3x n LEU 176 Ca 0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3h3x n LEU 176 Cb 0.41 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3h3x n LEU 176 CO 0.37 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3h3x n GLY 177 N 0.71 3.36 0.00 -0.72 0.00 -1.26 -0.92 105.19 106.36 3h3x n GLY 177 Ca 0.05 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.39 3h3x n GLY 177 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h3x n ILE 178 N 0.00 0.87 0.77 -0.61 -5.35 -1.26 -2.11 119.36 111.67 3h3x n ILE 178 Ca 0.00 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.82 3h3x n ILE 178 Cb 0.00 -0.95 0.14 0.00 -1.74 0.00 0.00 39.64 37.09 3h3x n ILE 178 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3h3x n PHE 179 N -1.47 0.16 -1.68 4.28 3.72 -0.10 -4.89 117.46 117.48 3h3x n PHE 179 Ca 0.04 -0.08 -0.48 0.00 -0.05 0.00 0.00 57.45 56.88 3h3x n PHE 179 Cb 0.18 -0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 3h3x n PHE 179 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3h3x n THR 180 N 1.39 0.35 -1.63 4.37 -1.04 -0.90 -1.91 114.28 114.91 3h3x n THR 180 Ca 0.16 -0.06 -0.18 0.00 -2.04 0.00 0.00 64.05 61.92 3h3x n THR 180 Cb 0.60 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.37 3h3x n THR 180 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3h3x n ASN 181 N 5.34 -5.19 -4.64 8.00 3.02 -1.26 -4.96 115.26 115.56 3h3x n ASN 181 Ca 0.21 0.39 -0.45 0.00 -0.03 0.00 0.00 54.58 54.69 3h3x n ASN 181 Cb 0.27 -4.28 -0.02 0.00 -0.61 0.00 0.00 39.78 35.14 3h3x n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3x n ALA 182 N 0.91 0.53 0.31 5.41 0.00 -0.80 -4.84 120.51 122.03 3h3x n ALA 182 Ca -0.19 0.41 0.14 0.00 0.00 0.00 0.00 53.44 53.80 3h3x n ALA 182 Cb 0.60 -2.17 0.75 0.00 0.00 0.00 0.00 19.45 18.63 3h3x n ALA 182 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3h3x h TYR 183 N 3.32 0.00 -0.00 0.00 0.05 -1.93 -2.17 116.97 116.25 3h3x h TYR 183 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3h3x h TYR 183 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 3h3x h TYR 183 CO 0.53 0.00 -0.50 1.97 -1.05 0.00 0.00 178.16 179.11 3h3x n PHE 184 N -2.77 0.00 -1.76 4.88 1.16 -1.26 -4.77 117.46 112.95 3h3x n PHE 184 Ca -0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 3h3x n PHE 184 Cb 0.37 -0.24 -0.03 0.00 -1.61 0.00 0.00 39.48 37.96 3h3x n PHE 184 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3h3x s LEU 185 N -2.98 4.40 0.00 5.98 1.43 -0.82 -1.47 118.68 125.22 3h3x s LEU 185 Ca 0.11 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 3h3x s LEU 185 Cb 0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.84 3h3x s LEU 185 CO 0.70 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3h3x n GLY 186 N 4.24 0.64 0.00 -3.19 0.00 -1.26 -4.88 105.19 100.75 3h3x n GLY 186 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3h3x n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 187 N -2.70 -2.00 3.51 -0.02 0.00 -0.54 -5.07 105.19 98.36 3h3x n GLY 187 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3h3x n GLY 187 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3x s HIS 188 N -2.67 -1.02 0.48 1.61 5.04 -1.26 -4.87 115.29 112.61 3h3x s HIS 188 Ca 0.00 1.73 0.29 0.00 -1.54 0.00 0.00 55.06 55.53 3h3x s HIS 188 Cb 0.00 0.60 1.56 0.00 0.04 0.00 0.00 32.58 34.78 3h3x s HIS 188 CO 0.00 -0.51 1.86 0.87 -2.34 0.00 0.00 174.74 174.62 3h3x h LYS 189 N 7.76 0.00 -0.00 2.88 1.57 -1.97 0.30 116.57 127.11 3h3x h LYS 189 Ca -0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 3h3x h LYS 189 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3h3x h LYS 189 CO 0.09 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.85 3h3x n ALA 190 N -1.85 2.68 -2.49 3.86 0.00 -1.26 -4.70 120.51 116.74 3h3x n ALA 190 Ca -0.02 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 3h3x n ALA 190 Cb 0.29 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 3h3x n ALA 190 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h3x s TYR 191 N -2.86 3.19 -0.12 0.00 1.51 0.11 -4.97 117.35 114.20 3h3x s TYR 191 Ca 0.18 -0.35 0.20 0.00 -1.01 0.00 0.00 57.07 56.08 3h3x s TYR 191 Cb 0.19 -2.81 -0.24 0.00 -0.11 0.00 0.00 41.96 38.99 3h3x s TYR 191 CO 0.55 -0.64 0.48 0.66 -1.11 0.00 0.00 175.55 175.49 3h3x n TYR 192 N 5.50 0.31 -1.71 2.71 4.01 -1.26 -4.84 117.16 121.88 3h3x n TYR 192 Ca -0.08 0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 3h3x n TYR 192 Cb 0.48 -0.83 -0.03 0.00 -0.31 0.00 0.00 39.34 38.65 3h3x n TYR 192 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3h3x n LEU 193 N -2.59 3.87 -4.61 7.72 4.77 -1.26 -4.98 117.00 119.92 3h3x n LEU 193 Ca -0.14 1.11 -0.42 0.00 -0.03 0.00 0.00 56.01 56.53 3h3x n LEU 193 Cb 0.81 -1.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.37 3h3x n LEU 193 CO 0.44 0.01 0.59 -0.81 -1.33 0.00 0.00 177.39 176.29 3h3x n PRO 194 N 2.96 1.38 -0.38 3.23 -0.04 -1.26 -4.82 135.00 136.08 3h3x n PRO 194 Ca 0.13 0.49 0.30 0.00 -0.04 0.00 0.00 63.50 64.38 3h3x n PRO 194 Cb 0.34 -2.01 0.56 0.00 -0.04 0.00 0.00 33.50 32.35 3h3x n PRO 194 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3h3x h PRO 195 N 1.67 0.19 -0.22 0.54 0.11 -1.94 -1.58 132.00 130.78 3h3x h PRO 195 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3h3x h PRO 195 Cb 1.34 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3h3x h PRO 195 CO 0.58 0.12 0.11 0.93 -0.21 0.00 0.00 178.00 179.54 3h3x h GLU 196 N 0.19 0.31 -0.44 1.05 3.07 -1.91 -1.36 114.58 115.50 3h3x h GLU 196 Ca 0.77 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.56 3h3x h GLU 196 Cb 2.09 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.92 3h3x h GLU 196 CO -0.51 0.30 0.17 0.28 -1.40 0.00 0.00 179.01 177.84 3h3x h VAL 197 N 0.24 1.17 -0.82 3.13 2.07 -1.68 -1.11 116.25 119.24 3h3x h VAL 197 Ca 0.08 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3h3x h VAL 197 Cb 0.09 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3h3x h VAL 197 CO -0.01 0.21 0.53 0.44 0.02 0.00 0.00 177.57 178.75 3h3x h ASP 198 N 0.62 0.97 -0.22 0.57 3.32 -0.76 -0.87 116.42 120.05 3h3x h ASP 198 Ca 0.15 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3h3x h ASP 198 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3h3x h ASP 198 CO -0.01 0.72 -0.04 0.25 -1.72 0.00 0.00 179.24 178.44 3h3x h LEU 199 N 1.12 0.42 -0.03 1.55 5.85 -0.82 -1.07 115.31 122.33 3h3x h LEU 199 Ca 0.30 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3h3x h LEU 199 Cb -0.09 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3h3x h LEU 199 CO -0.06 0.67 -0.15 0.40 -0.34 0.00 0.00 178.44 178.96 3h3x h ILE 200 N 0.15 0.63 -0.74 4.05 2.04 -1.05 -1.63 117.51 120.96 3h3x h ILE 200 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3h3x h ILE 200 Cb 0.48 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3h3x h ILE 200 CO 0.02 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.53 3h3x h ALA 201 N 0.74 1.25 -0.22 1.87 0.00 -1.07 -1.44 119.26 120.39 3h3x h ALA 201 Ca 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h3x h ALA 201 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3h3x h ALA 201 CO -0.17 0.58 0.01 1.15 0.00 0.00 0.00 179.25 180.82 3h3x h THR 202 N 1.04 1.25 -0.90 0.00 2.02 -1.12 -0.38 112.91 114.82 3h3x h THR 202 Ca 0.26 -0.85 0.13 0.00 0.77 0.00 0.00 66.41 66.72 3h3x h THR 202 Cb 0.09 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 3h3x h THR 202 CO -0.03 0.26 0.51 0.00 0.37 0.00 0.00 175.52 176.63 3h3x h ALA 203 N 0.81 1.35 -0.05 6.16 0.00 -0.99 -1.14 119.26 125.39 3h3x h ALA 203 Ca 0.06 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3h3x h ALA 203 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h3x h ALA 203 CO 0.01 0.04 -0.51 0.45 0.00 0.00 0.00 179.25 179.24 3h3x h HIS 204 N 0.77 0.18 -0.64 0.00 3.86 -1.12 -1.94 115.15 116.26 3h3x h HIS 204 Ca 0.47 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.63 3h3x h HIS 204 Cb 0.56 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 3h3x h HIS 204 CO -0.05 0.63 0.42 -0.92 0.86 0.00 0.00 177.93 178.87 3h3x h TYR 205 N 0.12 0.79 -0.09 2.45 5.03 0.09 0.28 116.97 125.64 3h3x h TYR 205 Ca 0.00 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.13 3h3x h TYR 205 Cb 0.94 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.96 3h3x h TYR 205 CO 0.01 0.49 -0.77 -0.07 -1.32 0.00 0.00 178.16 176.49 3h3x h LEU 206 N 0.85 0.63 -0.24 2.82 3.38 -1.10 -2.75 115.31 118.90 3h3x h LEU 206 Ca 0.24 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3h3x h LEU 206 Cb -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3h3x h LEU 206 CO -0.06 1.19 0.10 -0.33 0.09 0.00 0.00 178.44 179.43 3h3x h GLU 207 N 0.35 0.35 -0.87 1.13 5.08 -1.10 -2.86 114.58 116.65 3h3x h GLU 207 Ca -0.04 -0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.45 3h3x h GLU 207 Cb 1.37 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3h3x h GLU 207 CO 0.14 0.37 0.58 0.00 -1.00 0.00 0.00 179.01 179.10 3h3x h ALA 208 N 0.96 2.17 -0.98 3.43 0.00 -0.40 0.27 119.26 124.71 3h3x h ALA 208 Ca 0.08 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3h3x h ALA 208 Cb 0.15 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3h3x h ALA 208 CO -0.01 -0.44 0.64 -0.07 0.00 0.00 0.00 179.25 179.37 3h3x h LEU 209 N 0.42 1.03 -0.04 0.00 3.38 -1.25 -0.15 115.31 118.71 3h3x h LEU 209 Ca 0.45 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.16 3h3x h LEU 209 Cb 1.08 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.62 3h3x h LEU 209 CO -0.17 0.68 -1.05 0.45 0.09 0.00 0.00 178.44 178.44 3h3x h HIS 210 N 1.18 0.86 0.00 1.13 3.86 -0.59 -3.33 115.15 118.26 3h3x h HIS 210 Ca 0.40 -0.48 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 3h3x h HIS 210 Cb 0.09 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3h3x h HIS 210 CO -0.00 1.32 -0.52 1.98 0.86 0.00 0.00 177.93 181.57 3h3x h MET 211 N 0.30 0.00 -0.23 2.45 1.85 -0.58 -2.72 114.93 115.99 3h3x h MET 211 Ca -0.12 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 3h3x h MET 211 Cb 1.71 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.72 3h3x h MET 211 CO 0.20 0.52 -0.07 -0.56 -0.40 0.00 0.00 176.91 176.60 3h3x h GLN 212 N 0.00 0.37 -0.60 0.39 -0.00 -1.15 -1.52 115.11 112.60 3h3x h GLN 212 Ca -0.01 -0.08 0.10 0.00 -0.00 0.00 0.00 58.65 58.67 3h3x h GLN 212 Cb 0.98 -0.05 -0.08 0.00 -0.00 0.00 0.00 27.48 28.33 3h3x h GLN 212 CO 0.07 0.45 0.18 0.28 -0.00 0.00 0.00 178.83 179.81 3h3x h VAL 213 N 0.35 0.70 -0.56 1.86 2.07 -1.60 -1.25 116.25 117.82 3h3x h VAL 213 Ca 0.07 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3h3x h VAL 213 Cb 0.35 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3h3x h VAL 213 CO 0.02 0.06 -0.02 0.11 0.02 0.00 0.00 177.57 177.75 3h3x h LYS 214 N 0.33 0.99 -0.70 1.57 1.57 -1.32 -1.56 116.57 117.44 3h3x h LYS 214 Ca 0.31 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3h3x h LYS 214 Cb 0.43 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3h3x h LYS 214 CO -0.36 0.99 0.18 0.00 -0.57 0.00 0.00 179.45 179.69 3h3x h ALA 215 N 1.06 0.99 -0.41 3.86 0.00 -0.92 -0.72 119.26 123.11 3h3x h ALA 215 Ca 0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3h3x h ALA 215 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h3x h ALA 215 CO 0.03 0.66 -0.26 0.00 0.00 0.00 0.00 179.25 179.68 3h3x h ALA 216 N 1.13 0.77 -0.48 0.00 0.00 -1.12 -2.42 119.26 117.14 3h3x h ALA 216 Ca 0.22 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3h3x h ALA 216 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3h3x h ALA 216 CO -0.00 0.66 0.21 0.77 0.00 0.00 0.00 179.25 180.88 3h3x h SER 217 N 0.73 0.26 -0.34 0.00 0.02 -0.86 0.32 113.55 113.67 3h3x h SER 217 Ca 0.09 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3h3x h SER 217 Cb 0.81 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.29 3h3x h SER 217 CO 0.07 0.18 -0.03 0.00 -1.14 0.00 0.00 176.83 175.91 3h3x h ALA 218 N 1.29 0.28 -0.89 3.77 0.00 -0.99 -2.24 119.26 120.47 3h3x h ALA 218 Ca 0.22 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3h3x h ALA 218 Cb 0.18 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3h3x h ALA 218 CO -0.19 -0.43 0.54 1.98 0.00 0.00 0.00 179.25 181.15 3h3x h MET 219 N 0.06 1.21 0.00 0.00 -1.53 -0.92 -2.35 114.93 111.39 3h3x h MET 219 Ca 0.17 -0.11 -0.02 0.00 -3.44 0.00 0.00 59.70 56.30 3h3x h MET 219 Cb 0.24 -0.25 -0.00 0.00 -0.55 0.00 0.00 31.60 31.04 3h3x h MET 219 CO -0.31 0.85 -0.08 0.00 0.14 0.00 0.00 176.91 177.50 3h3x h ALA 220 N 1.29 1.09 -0.44 0.39 0.00 -0.36 0.16 119.26 121.38 3h3x h ALA 220 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h3x h ALA 220 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h3x h ALA 220 CO -0.06 0.10 0.23 0.82 0.00 0.00 0.00 179.25 180.34 3h3x h ILE 221 N 0.00 1.17 0.00 0.00 2.04 -1.05 0.98 117.51 120.66 3h3x h ILE 221 Ca -0.00 -0.47 -0.27 0.00 1.00 0.00 0.00 64.86 65.12 3h3x h ILE 221 Cb 0.43 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3h3x h ILE 221 CO 0.01 0.19 -1.54 -0.07 0.00 0.00 0.00 178.15 176.73 3h3x h LEU 222 N 0.58 0.00 -1.15 1.44 3.38 -1.55 -3.40 115.31 114.61 3h3x h LEU 222 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3h3x h LEU 222 Cb 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3h3x h LEU 222 CO -0.02 1.01 -0.39 0.61 0.09 0.00 0.00 178.44 179.73 3h3x n GLY 223 N 1.51 0.19 2.16 0.83 0.00 0.54 -4.86 105.19 105.55 3h3x n GLY 223 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3h3x n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 224 N 1.41 2.76 0.00 -0.02 0.00 0.33 -0.93 105.19 108.74 3h3x n GLY 224 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3h3x n GLY 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h3x n LYS 225 N -0.12 0.00 -3.68 1.61 2.85 -1.24 -4.93 118.16 112.65 3h3x n LYS 225 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 3h3x n LYS 225 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 3h3x n LYS 225 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3h3x s ASN 226 N 0.00 -0.64 0.96 -5.58 3.84 -1.26 -3.81 114.94 108.44 3h3x s ASN 226 Ca 0.00 1.08 -0.12 0.00 0.21 0.00 0.00 52.86 54.03 3h3x s ASN 226 Cb 0.00 0.97 0.16 0.00 -0.55 0.00 0.00 41.25 41.83 3h3x s ASN 226 CO 0.00 -0.21 1.09 -2.84 -2.79 0.00 0.00 177.10 172.36 3h3x s PRO 227 N 1.38 0.76 -0.27 0.43 0.02 -1.26 -5.02 135.00 131.04 3h3x s PRO 227 Ca -0.09 0.64 -0.04 0.00 0.02 0.00 0.00 61.00 61.53 3h3x s PRO 227 Cb -0.07 -1.77 0.01 0.00 0.02 0.00 0.00 34.50 32.69 3h3x s PRO 227 CO -0.14 -2.54 0.16 0.72 -0.33 0.00 0.00 177.00 174.87 3h3x n HIS 228 N -4.06 -3.00 -1.15 6.54 8.25 -1.26 -5.00 115.22 115.54 3h3x n HIS 228 Ca 0.06 1.29 -0.30 0.00 -0.26 0.00 0.00 57.72 58.51 3h3x n HIS 228 Cb 0.56 -3.49 0.15 0.00 1.12 0.00 0.00 29.99 28.33 3h3x n HIS 228 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3h3x s THR 229 N -1.61 2.59 -0.44 1.59 -4.23 -1.25 -4.72 115.64 107.57 3h3x s THR 229 Ca 0.07 0.19 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 3h3x s THR 229 Cb -0.02 -2.64 0.24 0.00 1.34 0.00 0.00 72.50 71.43 3h3x s THR 229 CO 0.61 -0.25 0.68 1.67 -0.54 0.00 0.00 174.62 176.79 3h3x n GLN 230 N -3.95 0.72 0.00 3.99 7.27 -0.11 -4.94 117.38 120.36 3h3x n GLN 230 Ca 0.07 -2.52 0.00 0.00 0.07 0.00 0.00 57.00 54.61 3h3x n GLN 230 Cb 0.55 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.85 3h3x n GLN 230 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 3h3x n PHE 231 N 1.60 0.00 -3.72 3.69 -1.74 -1.26 -4.73 117.46 111.30 3h3x n PHE 231 Ca 0.16 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.69 3h3x n PHE 231 Cb 0.57 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.52 3h3x n PHE 231 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 3h3x s THR 232 N 0.00 5.28 0.09 1.97 -4.23 -1.26 -0.08 115.64 117.41 3h3x s THR 232 Ca 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.80 3h3x s THR 232 Cb 0.00 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 3h3x s THR 232 CO 0.00 0.45 0.06 0.68 -0.54 0.00 0.00 174.62 175.27 3h3x s VAL 233 N -1.22 0.16 0.27 2.29 -7.23 -0.81 -4.85 120.40 109.00 3h3x s VAL 233 Ca 0.25 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 3h3x s VAL 233 Cb -0.14 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.02 3h3x s VAL 233 CO 0.13 -0.71 1.43 -0.69 -0.31 0.00 0.00 175.10 174.96 3h3x s VAL 234 N -3.95 2.58 0.00 1.32 1.01 -1.26 -1.62 120.40 118.47 3h3x s VAL 234 Ca 0.13 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.61 3h3x s VAL 234 Cb 0.07 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3h3x s VAL 234 CO -0.06 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3h3x n GLY 235 N 1.86 1.26 0.00 4.51 0.00 -1.26 -4.81 105.19 106.74 3h3x n GLY 235 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3h3x n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 236 N -2.00 -0.03 3.23 -0.02 0.00 -0.64 -0.76 105.19 104.97 3h3x n GLY 236 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3h3x n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n SER 238 N -0.20 0.93 -3.76 0.00 3.41 0.89 -4.32 113.62 110.56 3h3x n SER 238 Ca -0.08 -0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 57.64 3h3x n SER 238 Cb 0.62 1.37 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 3h3x n SER 238 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h3x n ASN 239 N -1.73 4.27 0.13 4.04 5.15 -1.26 -4.79 115.26 121.07 3h3x n ASN 239 Ca 0.00 -2.92 0.07 0.00 -0.60 0.00 0.00 54.58 51.13 3h3x n ASN 239 Cb 0.35 -1.61 0.55 0.00 -0.53 0.00 0.00 39.78 38.54 3h3x n ASN 239 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3h3x h TYR 240 N 5.91 0.23 -0.91 1.20 0.05 -1.96 -0.39 116.97 121.10 3h3x h TYR 240 Ca 0.52 0.01 0.04 0.00 0.05 0.00 0.00 58.73 59.34 3h3x h TYR 240 Cb 0.63 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.24 3h3x h TYR 240 CO 1.40 0.14 0.60 0.37 -1.05 0.00 0.00 178.16 179.62 3h3x h GLN 241 N 0.25 1.11 0.00 4.88 4.15 -1.98 -2.75 115.11 120.77 3h3x h GLN 241 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3h3x h GLN 241 Cb 0.05 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.49 3h3x h GLN 241 CO -0.02 0.74 0.05 0.78 -1.93 0.00 0.00 178.83 178.45 3h3x h GLY 242 N 1.15 0.00 -0.26 2.39 0.00 -1.33 -1.05 103.07 103.96 3h3x h GLY 242 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3h3x h GLY 242 CO -0.11 0.00 -0.21 1.04 0.00 0.00 0.00 176.54 177.26 3h3x n LEU 243 N -2.40 1.42 -4.94 3.11 4.77 -1.04 -4.68 117.00 113.25 3h3x n LEU 243 Ca -0.02 -0.44 -0.25 0.00 -0.03 0.00 0.00 56.01 55.28 3h3x n LEU 243 Cb 0.09 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3h3x n LEU 243 CO 0.11 0.25 0.31 0.42 -1.33 0.00 0.00 177.39 177.16 3h3x s THR 244 N -2.34 4.51 0.14 -5.08 -4.23 -0.40 -4.35 115.64 103.88 3h3x s THR 244 Ca 0.27 -0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 60.22 3h3x s THR 244 Cb 0.20 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3h3x s THR 244 CO 0.47 -0.53 1.58 0.50 -0.54 0.00 0.00 174.62 176.10 3h3x h LYS 245 N 0.41 -0.42 0.29 3.99 3.64 -1.94 -2.76 116.57 119.78 3h3x h LYS 245 Ca -0.47 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3h3x h LYS 245 Cb 1.23 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3h3x h LYS 245 CO 0.60 -0.28 -0.14 -0.44 -2.27 0.00 0.00 179.45 176.92 3h3x h ASP 246 N -0.44 -0.33 -0.66 4.20 3.45 -1.96 -0.07 116.42 120.62 3h3x h ASP 246 Ca 0.09 -0.18 0.13 0.00 0.43 0.00 0.00 57.03 57.51 3h3x h ASP 246 Cb 0.61 0.08 -0.10 0.00 -0.56 0.00 0.00 39.33 39.37 3h3x h ASP 246 CO -0.43 0.02 0.14 -0.65 -1.57 0.00 0.00 179.24 176.75 3h3x h PRO 247 N -0.71 0.25 -0.17 3.56 0.10 -1.86 -1.67 132.00 131.50 3h3x h PRO 247 Ca -0.04 -0.02 -0.04 0.00 0.10 0.00 0.00 66.00 66.01 3h3x h PRO 247 Cb 0.48 -0.06 -0.01 0.00 0.10 0.00 0.00 31.00 31.52 3h3x h PRO 247 CO 0.06 0.17 -0.06 -0.07 0.10 0.00 0.00 178.00 178.20 3h3x h LEU 248 N 0.26 0.23 -0.35 2.35 3.38 -1.33 -0.56 115.31 119.29 3h3x h LEU 248 Ca 0.35 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3h3x h LEU 248 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3h3x h LEU 248 CO -0.45 0.34 -0.01 0.00 0.09 0.00 0.00 178.44 178.41 3h3x h ALA 249 N 1.70 0.48 -0.74 1.53 0.00 -0.26 -2.05 119.26 119.92 3h3x h ALA 249 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h3x h ALA 249 Cb 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h3x h ALA 249 CO 0.01 0.25 0.46 -0.97 0.00 0.00 0.00 179.25 179.01 3h3x h ASN 250 N 0.44 0.88 -0.37 0.00 -1.24 -1.03 -1.38 115.58 112.88 3h3x h ASN 250 Ca 0.10 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 3h3x h ASN 250 Cb 0.47 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3h3x h ASN 250 CO 0.02 0.67 0.17 0.22 -1.29 0.00 0.00 177.43 177.22 3h3x h TYR 251 N 1.01 0.54 0.13 0.67 3.20 -1.07 -0.25 116.97 121.20 3h3x h TYR 251 Ca 0.27 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3h3x h TYR 251 Cb -0.07 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3h3x h TYR 251 CO -0.01 0.47 -0.11 1.25 -1.64 0.00 0.00 178.16 178.11 3h3x h LEU 252 N 0.46 -0.29 -0.18 2.82 5.85 -1.22 0.36 115.31 123.12 3h3x h LEU 252 Ca 0.13 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3h3x h LEU 252 Cb 0.13 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3h3x h LEU 252 CO -0.02 -0.17 -0.19 0.00 -0.34 0.00 0.00 178.44 177.72 3h3x h ALA 253 N 0.61 -0.09 -0.57 1.25 0.00 -1.06 0.49 119.26 119.88 3h3x h ALA 253 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h3x h ALA 253 Cb 0.24 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3h3x h ALA 253 CO -0.02 -0.63 0.26 -0.07 0.00 0.00 0.00 179.25 178.79 3h3x h LEU 254 N -0.22 0.76 -0.82 0.00 3.38 -1.00 -2.09 115.31 115.32 3h3x h LEU 254 Ca 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h3x h LEU 254 Cb 0.39 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3h3x h LEU 254 CO -0.31 0.69 0.47 0.28 0.09 0.00 0.00 178.44 179.66 3h3x h SER 255 N 0.78 1.01 -0.50 -0.43 0.02 -0.54 -1.01 113.55 112.88 3h3x h SER 255 Ca 0.19 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3h3x h SER 255 Cb 0.14 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3h3x h SER 255 CO -0.02 0.80 0.09 0.11 -1.14 0.00 0.00 176.83 176.66 3h3x h LYS 256 N 1.14 0.88 -0.54 3.45 1.57 -0.74 0.35 116.57 122.68 3h3x h LYS 256 Ca 0.29 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3h3x h LYS 256 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3h3x h LYS 256 CO -0.05 0.82 0.17 0.93 -0.57 0.00 0.00 179.45 180.75 3h3x h GLU 257 N 0.83 0.83 -0.16 3.15 5.08 -1.02 -0.95 114.58 122.35 3h3x h GLU 257 Ca 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h3x h GLU 257 Cb 0.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3h3x h GLU 257 CO 0.01 0.76 0.04 0.28 -1.00 0.00 0.00 179.01 179.10 3h3x h VAL 258 N 0.74 1.20 -0.02 3.13 2.07 -0.67 -2.81 116.25 119.90 3h3x h VAL 258 Ca 0.17 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3h3x h VAL 258 Cb 0.27 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3h3x h VAL 258 CO -0.01 0.19 -0.24 0.00 0.02 0.00 0.00 177.57 177.53 3h3x h GLN 260 N 0.03 0.81 -0.35 0.00 4.15 -1.05 -1.17 115.11 117.52 3h3x h GLN 260 Ca 0.00 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.20 3h3x h GLN 260 Cb 0.44 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3h3x h GLN 260 CO 0.03 0.69 -0.13 0.35 -1.93 0.00 0.00 178.83 177.84 3h3x h PHE 261 N 0.74 0.66 -0.16 3.99 3.57 -0.96 0.19 116.94 124.97 3h3x h PHE 261 Ca 0.18 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3h3x h PHE 261 Cb 0.17 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3h3x h PHE 261 CO 0.00 0.71 0.10 0.28 -2.23 0.00 0.00 178.31 177.17 3h3x h VAL 262 N 0.56 1.06 0.00 1.41 2.07 -0.82 0.08 116.25 120.61 3h3x h VAL 262 Ca 0.10 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 3h3x h VAL 262 Cb 0.55 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3h3x h VAL 262 CO 0.03 0.05 -0.34 0.78 0.02 0.00 0.00 177.57 178.11 3h3x h ASN 263 N 0.20 0.00 0.60 0.57 2.35 -0.85 -1.25 115.58 117.20 3h3x h ASN 263 Ca 0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3h3x h ASN 263 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3h3x h ASN 263 CO -0.01 0.34 -1.48 -0.62 -1.65 0.00 0.00 177.43 174.01 3h3x n GLU 264 N -3.23 0.63 0.05 0.81 1.02 0.63 -4.54 120.64 116.01 3h3x n GLU 264 Ca 0.02 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3h3x n GLU 264 Cb 0.63 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3h3x n GLU 264 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3x h TYR 266 N 0.00 -1.02 0.40 0.00 3.20 -1.36 0.44 116.97 118.62 3h3x h TYR 266 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3h3x h TYR 266 Cb 0.00 0.45 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3h3x h TYR 266 CO 0.00 -0.37 -0.19 0.82 -1.64 0.00 0.00 178.16 176.78 3h3x h ILE 267 N -0.42 0.61 -0.96 1.81 1.08 -1.50 0.12 117.51 118.25 3h3x h ILE 267 Ca 0.01 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 3h3x h ILE 267 Cb 0.46 0.62 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 3h3x h ILE 267 CO -0.24 0.00 0.59 -0.65 -0.69 0.00 0.00 178.15 177.17 3h3x h PRO 268 N -0.55 0.94 -0.10 2.37 0.11 -1.79 0.14 132.00 133.14 3h3x h PRO 268 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3h3x h PRO 268 Cb 0.42 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3h3x h PRO 268 CO 0.09 0.63 0.03 -0.44 -0.21 0.00 0.00 178.00 178.10 3h3x h ASP 269 N 0.97 0.14 -0.82 -2.05 3.32 -0.58 -0.44 116.42 116.96 3h3x h ASP 269 Ca 0.46 -0.18 0.09 0.00 0.02 0.00 0.00 57.03 57.42 3h3x h ASP 269 Cb 0.40 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 39.84 3h3x h ASP 269 CO -0.25 0.29 0.47 0.25 -1.72 0.00 0.00 179.24 178.28 3h3x h LEU 270 N -0.02 0.67 -0.31 1.55 5.85 0.18 0.76 115.31 123.99 3h3x h LEU 270 Ca 0.03 0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 3h3x h LEU 270 Cb 0.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h3x h LEU 270 CO -0.00 0.38 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.75 3h3x h LEU 271 N 0.78 0.81 0.71 2.25 3.38 -0.54 -0.80 115.31 121.90 3h3x h LEU 271 Ca 0.39 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3h3x h LEU 271 Cb 0.36 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3h3x h LEU 271 CO -0.25 1.26 -0.34 0.00 0.09 0.00 0.00 178.44 179.20 3h3x h ALA 272 N 0.74 -0.95 -0.54 1.53 0.00 -0.47 -0.35 119.26 119.22 3h3x h ALA 272 Ca -0.02 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3h3x h ALA 272 Cb 1.26 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 3h3x h ALA 272 CO 0.13 -1.02 -0.29 0.28 0.00 0.00 0.00 179.25 178.36 3h3x h VAL 273 N -0.98 0.24 -0.88 0.00 2.07 -0.86 -0.08 116.25 115.75 3h3x h VAL 273 Ca -0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3h3x h VAL 273 Cb 0.74 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3h3x h VAL 273 CO 0.16 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.32 3h3x h ALA 274 N 1.07 1.53 -0.25 1.67 0.00 -1.03 -1.50 119.26 120.74 3h3x h ALA 274 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3h3x h ALA 274 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h3x h ALA 274 CO -0.63 0.35 -0.04 0.78 0.00 0.00 0.00 179.25 179.71 3h3x h GLY 275 N 1.01 0.42 1.48 0.00 0.00 0.77 -1.75 103.07 105.00 3h3x h GLY 275 Ca 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3h3x h GLY 275 CO -0.14 0.22 -0.62 0.74 0.00 0.00 0.00 176.54 176.74 3h3x h PHE 276 N 0.37 0.00 -0.54 5.60 0.04 -0.72 -3.33 116.94 118.35 3h3x h PHE 276 Ca 0.08 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 3h3x h PHE 276 Cb 0.31 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.28 3h3x h PHE 276 CO 0.01 0.13 0.09 0.66 -0.60 0.00 0.00 178.31 178.59 3h3x n TYR 277 N -2.92 1.70 -0.29 -0.55 4.02 -0.63 -4.76 117.16 113.72 3h3x n TYR 277 Ca 0.01 -1.76 0.31 0.00 -0.01 0.00 0.00 57.90 56.44 3h3x n TYR 277 Cb 0.60 -0.64 0.69 0.00 -0.02 0.00 0.00 39.34 39.97 3h3x n TYR 277 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3h3x h LYS 278 N 1.10 0.10 -0.47 -0.72 3.64 -1.47 0.25 116.57 118.99 3h3x h LYS 278 Ca 0.34 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.80 3h3x h LYS 278 Cb 1.89 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.66 3h3x h LYS 278 CO 0.62 0.06 0.32 0.38 -2.27 0.00 0.00 179.45 178.57 3h3x h ASP 279 N 0.10 0.24 0.24 4.20 2.03 -1.89 -1.41 116.42 119.92 3h3x h ASP 279 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.85 3h3x h ASP 279 Cb 1.96 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 40.41 3h3x h ASP 279 CO -0.08 0.15 0.00 0.79 -1.03 0.00 0.00 179.24 179.07 3h3x n TRP 280 N -4.46 0.00 0.46 4.15 7.02 0.87 -1.65 117.44 123.82 3h3x n TRP 280 Ca 0.07 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.60 3h3x n TRP 280 Cb 0.35 -0.45 0.25 0.00 -2.42 0.00 0.00 31.31 29.03 3h3x n TRP 280 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h3x n GLY 281 N -0.68 -0.64 0.05 6.99 0.00 -0.53 -2.59 105.19 107.79 3h3x n GLY 281 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3h3x n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 282 N -0.44 4.12 3.12 -0.02 0.00 -0.66 -4.64 105.19 106.66 3h3x n GLY 282 Ca 0.04 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 3h3x n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3x s ILE 283 N -2.18 1.17 -0.18 -0.61 1.01 -1.18 -4.85 121.20 114.39 3h3x s ILE 283 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3h3x s ILE 283 Cb 0.18 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.67 3h3x s ILE 283 CO 0.02 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.90 3h3x n GLY 284 N 2.73 0.39 3.81 6.18 0.00 -1.24 -0.14 105.19 116.90 3h3x n GLY 284 Ca -0.14 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 3h3x n GLY 284 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3x s GLY 285 N -2.94 2.45 0.10 -0.02 0.00 -1.24 -3.80 107.32 101.87 3h3x s GLY 285 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.22 3h3x s GLY 285 CO 0.00 0.79 0.04 -1.30 0.00 0.00 0.00 173.10 172.63 3h3x n THR 286 N -0.74 0.00 0.00 0.90 -2.24 -1.26 -4.38 114.28 106.56 3h3x n THR 286 Ca 0.08 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3h3x n THR 286 Cb 0.53 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3h3x n THR 286 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3x n SER 287 N -1.94 2.76 -4.40 3.42 7.64 -1.26 -4.87 113.62 114.97 3h3x n SER 287 Ca -0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 3h3x n SER 287 Cb 0.15 0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 3h3x n SER 287 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3h3x s ASN 288 N -1.57 3.81 -0.01 6.43 0.01 -1.26 -1.49 114.94 120.87 3h3x s ASN 288 Ca 0.00 -0.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 3h3x s ASN 288 Cb 0.00 -1.09 -0.01 0.00 0.41 0.00 0.00 41.25 40.56 3h3x s ASN 288 CO 0.00 0.27 -0.14 -0.31 -1.51 0.00 0.00 177.10 175.41 3h3x s TYR 289 N -0.26 1.24 -0.02 2.20 2.02 0.86 0.15 117.35 123.54 3h3x s TYR 289 Ca 0.01 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 3h3x s TYR 289 Cb -0.13 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 3h3x s TYR 289 CO 0.03 -0.02 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.74 3h3x s LEU 290 N -0.40 1.80 0.01 -1.29 2.96 -0.75 -0.06 118.68 120.95 3h3x s LEU 290 Ca 0.05 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3h3x s LEU 290 Cb -0.06 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 3h3x s LEU 290 CO -0.00 0.06 -0.02 0.00 -1.32 0.00 0.00 176.35 175.06 3h3x s ALA 291 N 0.17 0.12 -2.79 5.97 0.00 -0.88 -4.38 121.76 119.97 3h3x s ALA 291 Ca -0.02 -0.41 0.24 0.00 0.00 0.00 0.00 51.96 51.77 3h3x s ALA 291 Cb -0.08 0.09 0.27 0.00 0.00 0.00 0.00 23.12 23.40 3h3x s ALA 291 CO 0.00 -0.09 1.30 1.19 0.00 0.00 0.00 175.76 178.16 3h3x n PHE 292 N 2.09 0.00 -0.58 0.00 3.72 -1.26 -1.68 117.46 119.75 3h3x n PHE 292 Ca -0.20 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.24 3h3x n PHE 292 Cb 0.57 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.08 3h3x n PHE 292 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3x n GLY 293 N 1.34 -3.07 3.32 1.37 0.00 -1.26 -4.49 105.19 102.40 3h3x n GLY 293 Ca 0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 3h3x n GLY 293 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3x s GLU 294 N -3.92 1.16 -0.87 1.61 2.56 -0.69 -3.05 118.70 115.50 3h3x s GLU 294 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 54.97 53.67 3h3x s GLU 294 Cb 0.00 0.35 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 3h3x s GLU 294 CO 0.00 -0.41 0.75 1.19 -0.56 0.00 0.00 175.26 176.22 3h3x n PHE 295 N -0.22 -1.89 -3.03 5.30 3.72 -1.26 -1.87 117.46 118.20 3h3x n PHE 295 Ca -0.06 0.70 -0.34 0.00 -0.05 0.00 0.00 57.45 57.71 3h3x n PHE 295 Cb 0.63 -3.99 -0.06 0.00 -0.94 0.00 0.00 39.48 35.12 3h3x n PHE 295 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h3x s ALA 296 N -3.30 3.28 -0.40 4.37 0.00 -1.26 -1.01 121.76 123.43 3h3x s ALA 296 Ca 0.26 0.19 0.23 0.00 0.00 0.00 0.00 51.96 52.64 3h3x s ALA 296 Cb -0.03 -2.90 0.26 0.00 0.00 0.00 0.00 23.12 20.46 3h3x s ALA 296 CO 0.58 0.28 1.43 1.79 0.00 0.00 0.00 175.76 179.85 3h3x h THR 297 N 2.21 0.00 -3.32 0.00 1.35 -1.86 -3.43 112.91 107.87 3h3x h THR 297 Ca -0.48 -0.95 -0.59 0.00 -0.55 0.00 0.00 66.41 63.85 3h3x h THR 297 Cb 1.18 1.77 -0.40 0.00 -1.73 0.00 0.00 68.15 68.98 3h3x h THR 297 CO 0.64 0.00 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.54 3h3x s ASP 298 N -5.76 3.93 -0.47 5.36 -1.08 -1.26 -4.99 116.67 112.40 3h3x s ASP 298 Ca 0.05 -1.50 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 3h3x s ASP 298 Cb 0.07 -0.97 0.47 0.00 -1.46 0.00 0.00 42.92 41.03 3h3x s ASP 298 CO 0.70 -0.36 1.64 0.47 0.52 0.00 0.00 175.17 178.14 3h3x n ASP 299 N 4.77 5.89 0.16 -0.34 8.00 -1.26 -2.72 116.55 131.05 3h3x n ASP 299 Ca -0.04 -3.77 0.12 0.00 0.71 0.00 0.00 54.79 51.81 3h3x n ASP 299 Cb 0.43 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 41.04 3h3x n ASP 299 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3h3x h SER 300 N 1.92 0.00 -5.02 -2.24 4.64 -1.93 -3.43 113.55 107.49 3h3x h SER 300 Ca 0.48 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.74 3h3x h SER 300 Cb 1.28 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.23 3h3x h SER 300 CO 1.12 0.01 0.11 -0.94 -0.87 0.00 0.00 176.83 176.26 3h3x s SER 301 N -5.54 -0.49 0.22 4.97 1.04 -1.26 -4.76 113.70 107.88 3h3x s SER 301 Ca 0.07 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 3h3x s SER 301 Cb 0.08 0.54 0.36 0.00 0.10 0.00 0.00 66.02 67.10 3h3x s SER 301 CO 0.68 -0.83 1.73 -0.65 0.98 0.00 0.00 173.24 175.14 3h3x h PRO 302 N 2.41 0.39 -0.06 4.02 0.11 -1.91 -0.23 132.00 136.73 3h3x h PRO 302 Ca -0.32 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.80 3h3x h PRO 302 Cb 1.25 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3h3x h PRO 302 CO 0.40 0.26 -0.32 1.49 -0.21 0.00 0.00 178.00 179.62 3h3x h GLU 303 N 0.40 -0.42 -0.84 1.05 4.22 -1.97 -0.08 114.58 116.94 3h3x h GLU 303 Ca 0.35 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.85 3h3x h GLU 303 Cb 0.50 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3h3x h GLU 303 CO -0.37 -0.28 0.56 0.87 -2.18 0.00 0.00 179.01 177.61 3h3x h LYS 304 N -0.44 1.05 -0.11 1.92 1.79 -1.71 -1.80 116.57 117.28 3h3x h LYS 304 Ca 0.08 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3h3x h LYS 304 Cb 0.56 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 3h3x h LYS 304 CO -0.31 0.70 0.06 1.25 -1.08 0.00 0.00 179.45 180.07 3h3x h HIS 305 N 1.09 0.14 -0.65 -1.35 2.76 -0.61 0.21 115.15 116.74 3h3x h HIS 305 Ca 0.32 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.57 3h3x h HIS 305 Cb -0.04 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 3h3x h HIS 305 CO -0.00 0.15 0.43 -0.07 -1.30 0.00 0.00 177.93 177.14 3h3x h LEU 306 N 0.09 0.51 0.00 0.26 3.38 -0.55 -2.11 115.31 116.89 3h3x h LEU 306 Ca 0.04 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 3h3x h LEU 306 Cb 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3h3x h LEU 306 CO -0.01 0.32 -1.41 0.00 0.09 0.00 0.00 178.44 177.43 3h3x h ALA 307 N 1.66 0.67 -0.06 1.53 0.00 -0.96 -3.37 119.26 118.73 3h3x h ALA 307 Ca 0.29 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3h3x h ALA 307 Cb 0.38 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3h3x h ALA 307 CO -0.09 1.02 0.00 0.25 0.00 0.00 0.00 179.25 180.43 3h3x n THR 308 N -2.94 0.38 -1.67 0.00 -2.24 0.03 -4.98 114.28 102.85 3h3x n THR 308 Ca -0.10 -0.69 -0.46 0.00 -2.27 0.00 0.00 64.05 60.53 3h3x n THR 308 Cb 0.87 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.93 3h3x n THR 308 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3x n SER 309 N 0.16 3.23 0.15 3.42 7.64 -0.82 -2.59 113.62 124.80 3h3x n SER 309 Ca 0.04 1.06 0.01 0.00 1.01 0.00 0.00 58.87 60.98 3h3x n SER 309 Cb 0.20 -1.42 0.18 0.00 -1.01 0.00 0.00 64.21 62.16 3h3x n SER 309 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3h3x h GLN 310 N 6.73 0.00 -4.97 1.43 4.20 -0.81 -3.23 115.11 118.46 3h3x h GLN 310 Ca -0.46 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 57.58 3h3x h GLN 310 Cb 1.25 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.86 3h3x h GLN 310 CO 0.90 0.57 0.33 -0.06 -0.67 0.00 0.00 178.83 179.90 3h3x s PHE 311 N -3.47 2.91 0.68 2.96 0.40 -0.78 -5.02 117.98 115.66 3h3x s PHE 311 Ca -0.00 -0.87 -0.16 0.00 -0.60 0.00 0.00 56.93 55.30 3h3x s PHE 311 Cb 0.11 -4.13 0.01 0.00 0.51 0.00 0.00 43.02 39.52 3h3x s PHE 311 CO 0.74 -1.43 1.16 -1.25 0.70 0.00 0.00 175.22 175.14 3h3x s PRO 312 N 3.12 2.55 0.55 0.24 0.04 -1.22 -1.70 135.00 138.58 3h3x s PRO 312 Ca 0.17 1.61 -0.07 0.00 0.04 0.00 0.00 61.00 62.75 3h3x s PRO 312 Cb -0.20 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3h3x s PRO 312 CO 0.06 -1.49 0.89 -1.54 0.04 0.00 0.00 177.00 174.96 3h3x s SER 313 N -2.19 6.09 0.00 6.66 1.04 -1.26 -4.25 113.70 119.80 3h3x s SER 313 Ca 0.72 1.04 0.00 0.00 0.48 0.00 0.00 55.95 58.19 3h3x s SER 313 Cb -0.25 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.66 3h3x s SER 313 CO 0.41 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3h3x n GLY 314 N -2.50 -1.90 2.79 7.32 0.00 -0.67 -4.92 105.19 105.31 3h3x n GLY 314 Ca 0.03 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3h3x n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3x s VAL 315 N -2.36 0.31 -0.08 1.61 1.01 -0.28 -2.08 120.40 118.53 3h3x s VAL 315 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3h3x s VAL 315 Cb 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3h3x s VAL 315 CO 0.00 0.22 -0.15 -0.63 0.00 0.00 0.00 175.10 174.55 3h3x s ILE 316 N 1.65 2.96 0.00 2.22 1.01 0.91 -1.17 121.20 128.78 3h3x s ILE 316 Ca -0.00 -0.73 0.07 0.00 0.00 0.00 0.00 60.65 59.99 3h3x s ILE 316 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 3h3x s ILE 316 CO -0.04 0.56 -0.22 -0.89 0.00 0.00 0.00 174.94 174.36 3h3x s THR 317 N -0.22 1.73 -1.57 2.92 2.01 -1.26 -0.10 115.64 119.15 3h3x s THR 317 Ca 0.00 -1.02 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 3h3x s THR 317 Cb -0.13 -1.46 0.09 0.00 0.01 0.00 0.00 72.50 71.01 3h3x s THR 317 CO 0.03 0.42 0.62 0.61 -0.69 0.00 0.00 174.62 175.61 3h3x n GLY 318 N 2.34 -0.35 2.32 4.40 0.00 -0.99 -1.29 105.19 111.61 3h3x n GLY 318 Ca -0.16 0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3h3x n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x n ARG 319 N -4.42 -2.12 -2.81 1.61 1.74 -0.56 -4.90 116.66 105.21 3h3x n ARG 319 Ca -0.09 0.53 -0.43 0.00 -0.77 0.00 0.00 57.85 57.08 3h3x n ARG 319 Cb 0.58 -5.03 -0.02 0.00 -1.02 0.00 0.00 32.46 26.97 3h3x n ARG 319 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3h3x s ASP 320 N -1.99 6.74 0.33 0.55 -1.08 -0.41 -4.81 116.67 115.99 3h3x s ASP 320 Ca 0.00 -2.22 0.24 0.00 -0.52 0.00 0.00 52.55 50.05 3h3x s ASP 320 Cb 0.00 -2.46 1.19 0.00 -1.46 0.00 0.00 42.92 40.19 3h3x s ASP 320 CO 0.00 -1.08 1.73 -0.07 0.52 0.00 0.00 175.17 176.26 3h3x h LEU 321 N 10.99 0.00 -0.19 -1.34 3.38 -1.90 -2.69 115.31 123.56 3h3x h LEU 321 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3h3x h LEU 321 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3h3x h LEU 321 CO 1.25 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.39 3h3x n GLY 322 N -0.81 -0.80 2.77 0.83 0.00 -1.26 -4.56 105.19 101.36 3h3x n GLY 322 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 3h3x n GLY 322 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h3x s LYS 323 N -1.99 0.79 -0.40 1.61 2.20 -1.01 -5.10 119.74 115.85 3h3x s LYS 323 Ca 0.40 -1.02 -0.23 0.00 -0.36 0.00 0.00 55.97 54.76 3h3x s LYS 323 Cb 0.19 -0.58 0.02 0.00 -1.51 0.00 0.00 37.83 35.94 3h3x s LYS 323 CO 0.31 -1.25 0.77 0.08 -0.36 0.00 0.00 175.35 174.90 3h3x s VAL 324 N 1.16 4.71 0.60 4.02 1.01 -1.26 -4.64 120.40 126.00 3h3x s VAL 324 Ca 0.22 0.66 -0.08 0.00 0.00 0.00 0.00 61.98 62.77 3h3x s VAL 324 Cb -0.08 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3h3x s VAL 324 CO -0.06 -0.54 0.95 -1.81 0.00 0.00 0.00 175.10 173.63 3h3x s ASP 325 N 1.96 5.87 0.62 3.32 1.01 -0.32 -4.80 116.67 124.33 3h3x s ASP 325 Ca 0.30 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.42 3h3x s ASP 325 Cb -0.13 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3h3x s ASP 325 CO 0.19 -0.97 1.11 0.20 0.21 0.00 0.00 175.17 175.92 3h3x s ASN 326 N -4.24 5.32 -0.05 0.27 0.01 -1.26 -1.13 114.94 113.86 3h3x s ASN 326 Ca 0.54 2.03 -0.30 0.00 -0.71 0.00 0.00 52.86 54.42 3h3x s ASN 326 Cb -0.11 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 3h3x s ASN 326 CO 0.49 -1.49 1.11 -0.69 -1.51 0.00 0.00 177.10 175.01 3h3x s VAL 327 N -2.19 4.46 -0.45 1.60 1.01 -1.26 -4.69 120.40 118.87 3h3x s VAL 327 Ca 0.68 1.76 -0.14 0.00 0.00 0.00 0.00 61.98 64.28 3h3x s VAL 327 Cb -0.21 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.10 3h3x s VAL 327 CO 0.37 0.04 0.36 -0.62 0.00 0.00 0.00 175.10 175.25 3h3x s ASP 328 N 1.25 6.06 0.48 3.32 -1.08 -1.26 -4.96 116.67 120.48 3h3x s ASP 328 Ca 0.54 -1.29 0.30 0.00 -0.52 0.00 0.00 52.55 51.58 3h3x s ASP 328 Cb -0.23 -2.15 1.15 0.00 -1.46 0.00 0.00 42.92 40.23 3h3x s ASP 328 CO 0.23 -0.60 1.88 -0.07 0.52 0.00 0.00 175.17 177.13 3h3x h LEU 329 N 8.68 0.00 -0.91 -1.34 3.38 -2.00 -1.50 115.31 121.63 3h3x h LEU 329 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3h3x h LEU 329 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3h3x h LEU 329 CO 0.84 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.60 3h3x h GLY 330 N 2.44 0.00 -0.61 0.83 0.00 -2.04 -3.30 103.07 100.39 3h3x h GLY 330 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h3x h GLY 330 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.51 3h3x n ALA 331 N -1.89 2.62 -2.60 3.60 0.00 -0.56 -4.86 120.51 116.81 3h3x n ALA 331 Ca 0.02 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.59 3h3x n ALA 331 Cb 0.28 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3h3x n ALA 331 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h3x s ILE 332 N -2.05 4.95 0.19 0.00 1.01 -1.25 -2.48 121.20 121.57 3h3x s ILE 332 Ca 0.35 1.44 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 3h3x s ILE 332 Cb 0.21 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 3h3x s ILE 332 CO 0.35 0.31 0.36 -0.72 0.00 0.00 0.00 174.94 175.25 3h3x s TYR 333 N 0.40 0.34 -0.05 3.97 -0.85 -0.51 -4.32 117.35 116.33 3h3x s TYR 333 Ca 0.36 -0.70 0.05 0.00 -0.52 0.00 0.00 57.07 56.27 3h3x s TYR 333 Cb -0.18 0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.19 3h3x s TYR 333 CO 0.19 -0.81 -0.22 -1.21 -1.52 0.00 0.00 175.55 171.98 3h3x s GLU 334 N -3.97 2.52 0.10 -3.49 2.02 -0.11 -0.12 118.70 115.64 3h3x s GLU 334 Ca 0.18 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.36 3h3x s GLU 334 Cb 0.02 -2.23 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 3h3x s GLU 334 CO 0.02 0.46 0.11 -0.51 0.02 0.00 0.00 175.26 175.36 3h3x s ASP 335 N -0.34 5.62 -0.00 -0.19 1.01 0.35 -2.15 116.67 120.96 3h3x s ASP 335 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.27 3h3x s ASP 335 Cb -0.12 -1.52 0.00 0.00 1.01 0.00 0.00 42.92 42.28 3h3x s ASP 335 CO 0.02 0.14 0.76 1.33 0.21 0.00 0.00 175.17 177.64 3h3x n VAL 336 N 0.23 0.53 -0.30 -1.27 0.24 -1.26 -0.13 118.33 116.36 3h3x n VAL 336 Ca -0.08 -0.53 0.13 0.00 -2.04 0.00 0.00 64.34 61.82 3h3x n VAL 336 Cb 0.52 0.73 0.28 0.00 -1.47 0.00 0.00 33.84 33.91 3h3x n VAL 336 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3h3x h LYS 337 N 0.00 0.15 -0.38 7.34 3.64 -1.89 -0.99 116.57 124.43 3h3x h LYS 337 Ca 0.00 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3h3x h LYS 337 Cb 0.74 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 3h3x h LYS 337 CO 0.00 0.10 0.04 0.66 -2.27 0.00 0.00 179.45 177.98 3h3x n TYR 338 N -5.28 1.29 -4.45 1.91 4.01 -1.26 -4.70 117.16 108.68 3h3x n TYR 338 Ca 0.21 -1.15 -0.25 0.00 -0.16 0.00 0.00 57.90 56.55 3h3x n TYR 338 Cb 0.69 -0.44 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 3h3x n TYR 338 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3h3x s SER 339 N -1.93 3.87 -1.45 7.72 0.01 -0.38 -1.69 113.70 119.85 3h3x s SER 339 Ca 0.45 -1.04 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 3h3x s SER 339 Cb 0.38 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 66.11 3h3x s SER 339 CO 0.07 -0.11 2.73 0.79 0.41 0.00 0.00 173.24 177.14 3h3x n TRP 340 N -0.78 2.20 -4.43 2.43 8.01 0.69 -4.74 117.44 120.82 3h3x n TRP 340 Ca -0.05 -2.82 -0.21 0.00 -1.31 0.00 0.00 57.50 53.12 3h3x n TRP 340 Cb 0.62 -2.30 -0.10 0.00 -2.01 0.00 0.00 31.31 27.51 3h3x n TRP 340 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3h3x s TYR 341 N 2.52 1.88 0.58 -5.99 2.02 -1.24 -0.77 117.35 116.35 3h3x s TYR 341 Ca 0.62 -1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 56.13 3h3x s TYR 341 Cb 0.16 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3h3x s TYR 341 CO -0.05 -0.07 1.09 0.00 -1.57 0.00 0.00 175.55 174.95 3h3x s ALA 342 N -3.39 2.68 0.64 3.71 0.00 -0.39 -4.61 121.76 120.40 3h3x s ALA 342 Ca 0.37 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.75 3h3x s ALA 342 Cb 0.08 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3h3x s ALA 342 CO 0.15 -0.84 1.05 -0.35 0.00 0.00 0.00 175.76 175.78 3h3x n PRO 343 N -1.73 0.89 -0.28 0.00 -0.04 -1.26 -3.68 135.00 128.90 3h3x n PRO 343 Ca 0.10 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 3h3x n PRO 343 Cb 0.52 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3h3x n PRO 343 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h3x n GLY 344 N 1.17 0.84 0.83 0.55 0.00 -1.26 -4.99 105.19 102.33 3h3x n GLY 344 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3h3x n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 345 N -2.25 0.70 3.80 -0.02 0.00 -1.24 -5.02 105.19 101.15 3h3x n GLY 345 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3h3x n GLY 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3x s ASP 346 N -1.70 6.14 -1.62 1.61 1.01 -1.26 -4.01 116.67 116.83 3h3x s ASP 346 Ca 0.25 1.91 -0.00 0.00 0.71 0.00 0.00 52.55 55.41 3h3x s ASP 346 Cb 0.17 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.55 3h3x s ASP 346 CO 0.26 -0.92 0.05 0.61 0.21 0.00 0.00 175.17 175.38 3h3x n GLY 347 N -0.45 -0.42 3.67 0.21 0.00 -0.92 -4.95 105.19 102.33 3h3x n GLY 347 Ca 0.09 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3h3x n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 348 N -5.01 4.26 0.44 1.61 -0.14 -1.01 -4.81 119.74 115.08 3h3x s LYS 348 Ca 0.02 0.82 -0.25 0.00 -1.36 0.00 0.00 55.97 55.21 3h3x s LYS 348 Cb -0.01 -3.57 -0.08 0.00 -1.68 0.00 0.00 37.83 32.49 3h3x s LYS 348 CO 0.03 -0.27 1.30 -1.58 -0.76 0.00 0.00 175.35 174.07 3h3x s HIS 349 N 1.98 2.70 0.56 3.18 5.65 -1.26 -0.94 115.29 127.16 3h3x s HIS 349 Ca 0.34 1.41 0.26 0.00 0.25 0.00 0.00 55.06 57.32 3h3x s HIS 349 Cb -0.16 -3.66 1.52 0.00 -1.18 0.00 0.00 32.58 29.09 3h3x s HIS 349 CO 0.12 -2.20 2.08 -1.35 -0.65 0.00 0.00 174.74 172.74 3h3x h PRO 350 N 2.32 0.00 0.00 2.88 0.11 -1.95 0.38 132.00 135.74 3h3x h PRO 350 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h3x h PRO 350 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h3x h PRO 350 CO 0.61 0.00 -0.01 1.88 -0.21 0.00 0.00 178.00 180.27 3h3x h TYR 351 N 0.00 0.00 -0.22 0.65 0.05 -1.91 -1.18 116.97 114.36 3h3x h TYR 351 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3h3x h TYR 351 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 3h3x h TYR 351 CO 0.00 0.01 0.00 -0.25 -1.05 0.00 0.00 178.16 176.87 3h3x n ASP 352 N -3.18 3.60 -4.58 3.88 8.00 0.13 -4.92 116.55 119.48 3h3x n ASP 352 Ca -0.02 -3.00 -0.41 0.00 0.71 0.00 0.00 54.79 52.06 3h3x n ASP 352 Cb 0.15 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 3h3x n ASP 352 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 353 N -0.64 -0.46 2.92 0.44 0.00 -0.45 -4.77 105.19 102.23 3h3x n GLY 353 Ca 0.20 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 3h3x n GLY 353 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3x s VAL 354 N -1.33 0.43 -0.36 1.61 1.01 -1.26 -5.01 120.40 115.50 3h3x s VAL 354 Ca 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3h3x s VAL 354 Cb -0.56 -0.41 0.12 0.00 0.00 0.00 0.00 36.38 35.53 3h3x s VAL 354 CO 0.56 0.16 0.18 -0.89 0.00 0.00 0.00 175.10 175.11 3h3x s THR 355 N 0.34 0.75 -0.48 3.92 2.01 -1.26 -5.05 115.64 115.88 3h3x s THR 355 Ca -0.04 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.19 3h3x s THR 355 Cb -0.08 -1.55 0.14 0.00 0.01 0.00 0.00 72.50 71.02 3h3x s THR 355 CO -0.00 -0.84 0.28 -0.62 -0.69 0.00 0.00 174.62 172.75 3h3x s ASP 356 N 1.10 3.63 0.27 3.53 2.15 -1.26 -4.86 116.67 121.24 3h3x s ASP 356 Ca 0.15 -2.85 -0.30 0.00 0.43 0.00 0.00 52.55 49.98 3h3x s ASP 356 Cb -0.21 -1.10 -0.10 0.00 -0.30 0.00 0.00 42.92 41.21 3h3x s ASP 356 CO -0.11 -0.23 1.43 -2.16 -0.17 0.00 0.00 175.17 173.93 3h3x s PRO 357 N 0.05 4.26 -0.29 4.34 0.04 -1.26 -1.26 135.00 140.88 3h3x s PRO 357 Ca 0.20 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.54 3h3x s PRO 357 Cb -0.19 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.37 3h3x s PRO 357 CO -0.04 -0.41 0.21 0.21 0.04 0.00 0.00 177.00 177.02 3h3x s LYS 358 N -0.66 0.25 0.42 4.56 2.20 0.05 -4.76 119.74 121.80 3h3x s LYS 358 Ca 0.58 -0.33 -0.22 0.00 -0.36 0.00 0.00 55.97 55.64 3h3x s LYS 358 Cb -0.42 -0.92 -0.11 0.00 -1.51 0.00 0.00 37.83 34.88 3h3x s LYS 358 CO 0.46 -1.02 0.96 -0.47 -0.36 0.00 0.00 175.35 174.92 3h3x s TYR 359 N 2.23 3.35 0.00 4.03 5.04 -1.26 -3.63 117.35 127.11 3h3x s TYR 359 Ca 0.09 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3h3x s TYR 359 Cb -0.15 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.28 3h3x s TYR 359 CO -0.35 -0.12 0.00 0.25 -1.34 0.00 0.00 175.55 173.99 3h3x n THR 360 N -0.47 0.00 -3.53 4.34 -2.24 -1.26 -5.08 114.28 106.03 3h3x n THR 360 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 3h3x n THR 360 Cb 0.53 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 68.14 3h3x n THR 360 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3h3x s LYS 361 N -0.02 0.90 0.21 -0.78 -2.85 -1.26 -5.12 119.74 110.82 3h3x s LYS 361 Ca 0.00 0.16 -0.32 0.00 -1.00 0.00 0.00 55.97 54.81 3h3x s LYS 361 Cb 0.00 0.42 -0.14 0.00 -2.06 0.00 0.00 37.83 36.05 3h3x s LYS 361 CO 0.00 -0.29 1.39 -0.11 0.10 0.00 0.00 175.35 176.44 3h3x n LEU 362 N 0.74 2.80 -3.04 2.77 7.94 -1.26 -2.68 117.00 124.27 3h3x n LEU 362 Ca -0.15 1.13 -0.22 0.00 -1.11 0.00 0.00 56.01 55.65 3h3x n LEU 362 Cb 0.58 -1.39 0.03 0.00 0.53 0.00 0.00 43.42 43.17 3h3x n LEU 362 CO 0.20 -0.61 -0.02 0.47 -1.11 0.00 0.00 177.39 176.32 3h3x n ASP 363 N 2.33 -5.74 -4.58 1.96 8.00 -1.26 -4.94 116.55 112.31 3h3x n ASP 363 Ca 0.13 -0.29 -0.42 0.00 0.71 0.00 0.00 54.79 54.93 3h3x n ASP 363 Cb 0.29 -4.66 -0.02 0.00 -0.02 0.00 0.00 41.12 36.71 3h3x n ASP 363 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h3x s ASP 364 N -2.67 6.38 0.29 -2.24 -1.08 -1.09 -4.89 116.67 111.37 3h3x s ASP 364 Ca 0.30 0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.67 3h3x s ASP 364 Cb -0.14 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 39.78 3h3x s ASP 364 CO 0.37 -1.53 1.55 0.29 0.52 0.00 0.00 175.17 176.38 3h3x n LYS 365 N 8.50 0.12 -0.00 4.34 4.76 -1.26 -1.18 118.16 133.44 3h3x n LYS 365 Ca 0.09 0.62 -0.04 0.00 -2.87 0.00 0.00 58.31 56.10 3h3x n LYS 365 Cb 0.49 -1.94 -0.12 0.00 -1.84 0.00 0.00 35.03 31.62 3h3x n LYS 365 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3h3x n ASP 366 N -2.16 0.77 -3.53 4.39 8.00 -1.26 -4.80 116.55 117.95 3h3x n ASP 366 Ca -0.01 0.35 -0.23 0.00 0.71 0.00 0.00 54.79 55.61 3h3x n ASP 366 Cb 0.07 0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.20 3h3x n ASP 366 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3h3x s HIS 367 N -2.75 -0.03 0.00 1.24 3.76 -0.32 -4.08 115.29 113.11 3h3x s HIS 367 Ca -0.04 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 3h3x s HIS 367 Cb 0.08 -0.58 0.00 0.00 1.11 0.00 0.00 32.58 33.19 3h3x s HIS 367 CO 0.82 -0.64 0.66 2.48 -0.85 0.00 0.00 174.74 177.21 3h3x n TYR 368 N 5.29 0.00 -3.71 1.40 0.18 -0.69 -4.12 117.16 115.51 3h3x n TYR 368 Ca -0.06 -0.18 -0.14 0.00 1.88 0.00 0.00 57.90 59.40 3h3x n TYR 368 Cb 0.48 -0.02 -0.08 0.00 -0.38 0.00 0.00 39.34 39.34 3h3x n TYR 368 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3h3x s SER 369 N -0.36 -0.33 0.08 9.48 0.15 -1.23 -4.17 113.70 117.31 3h3x s SER 369 Ca 0.00 0.38 0.27 0.00 0.70 0.00 0.00 55.95 57.30 3h3x s SER 369 Cb 0.00 0.49 0.95 0.00 -1.71 0.00 0.00 66.02 65.74 3h3x s SER 369 CO 0.00 -0.40 1.78 0.79 1.20 0.00 0.00 173.24 176.60 3h3x n TRP 370 N 1.59 0.37 -2.64 3.44 7.02 -1.07 -0.22 117.44 125.92 3h3x n TRP 370 Ca -0.19 0.11 -0.41 0.00 -1.02 0.00 0.00 57.50 55.99 3h3x n TRP 370 Cb 0.56 -0.65 -0.05 0.00 -2.42 0.00 0.00 31.31 28.76 3h3x n TRP 370 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 3h3x s MET 371 N -3.05 4.70 1.05 -0.99 -1.94 -1.26 -4.80 119.30 113.01 3h3x s MET 371 Ca 0.12 1.58 -0.13 0.00 -1.71 0.00 0.00 55.69 55.55 3h3x s MET 371 Cb 0.16 -3.31 0.22 0.00 2.01 0.00 0.00 34.83 33.91 3h3x s MET 371 CO 0.58 0.24 1.08 0.15 -0.01 0.00 0.00 175.02 177.07 3h3x s LYS 372 N -0.52 -0.02 -0.40 2.03 1.02 -1.26 -4.48 119.74 116.11 3h3x s LYS 372 Ca 0.46 0.53 -0.04 0.00 0.02 0.00 0.00 55.97 56.93 3h3x s LYS 372 Cb -0.27 -1.68 0.10 0.00 -0.52 0.00 0.00 37.83 35.46 3h3x s LYS 372 CO 0.33 -3.04 0.19 0.00 -0.92 0.00 0.00 175.35 171.92 3h3x s ALA 373 N -2.86 3.15 0.16 5.17 0.00 0.81 -4.34 121.76 123.84 3h3x s ALA 373 Ca 0.66 -2.37 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 3h3x s ALA 373 Cb -0.20 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 3h3x s ALA 373 CO 0.59 -1.71 1.01 -1.25 0.00 0.00 0.00 175.76 174.40 3h3x s PRO 374 N 1.22 4.69 0.05 0.00 0.05 -1.26 -0.49 135.00 139.26 3h3x s PRO 374 Ca 0.05 1.56 0.03 0.00 0.05 0.00 0.00 61.00 62.69 3h3x s PRO 374 Cb -0.23 -3.32 -0.03 0.00 0.05 0.00 0.00 34.50 30.98 3h3x s PRO 374 CO -0.02 0.22 -0.09 1.03 0.05 0.00 0.00 177.00 178.19 3h3x s ARG 375 N -0.39 0.60 -0.41 4.56 1.81 0.82 -4.64 118.95 121.31 3h3x s ARG 375 Ca 0.47 -0.83 0.02 0.00 -1.72 0.00 0.00 55.73 53.67 3h3x s ARG 375 Cb -0.26 -0.39 0.11 0.00 -0.45 0.00 0.00 34.95 33.96 3h3x s ARG 375 CO 0.32 0.07 0.15 -0.47 -0.68 0.00 0.00 175.30 174.69 3h3x s TYR 376 N -1.49 3.60 -1.34 -0.53 5.04 0.96 -1.43 117.35 122.17 3h3x s TYR 376 Ca -0.07 -2.89 -0.05 0.00 -2.44 0.00 0.00 57.07 51.62 3h3x s TYR 376 Cb -0.09 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.25 3h3x s TYR 376 CO 0.01 -0.91 0.92 1.63 -1.34 0.00 0.00 175.55 175.86 3h3x n LYS 377 N 4.07 -6.03 -0.89 4.97 5.02 -1.03 -1.48 118.16 122.78 3h3x n LYS 377 Ca 0.03 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3h3x n LYS 377 Cb 0.40 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 3h3x n LYS 377 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 378 N -1.57 0.94 3.63 0.72 0.00 -1.26 -5.01 105.19 102.64 3h3x n GLY 378 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3h3x n GLY 378 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 379 N -0.13 3.70 0.33 1.61 1.02 -0.55 -5.04 119.74 120.68 3h3x s LYS 379 Ca 0.00 -0.37 -0.28 0.00 0.02 0.00 0.00 55.97 55.34 3h3x s LYS 379 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 3h3x s LYS 379 CO 0.00 0.38 1.14 0.00 -0.92 0.00 0.00 175.35 175.95 3h3x s ALA 380 N 0.04 3.32 -0.05 5.17 0.00 -1.26 -0.03 121.76 128.95 3h3x s ALA 380 Ca 0.04 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.97 3h3x s ALA 380 Cb -0.12 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3h3x s ALA 380 CO 0.01 -0.31 -0.14 -1.64 0.00 0.00 0.00 175.76 173.68 3h3x s MET 381 N -1.82 1.71 0.04 0.00 1.00 -1.26 -4.65 119.30 114.32 3h3x s MET 381 Ca 0.50 -0.50 -0.25 0.00 0.00 0.00 0.00 55.69 55.43 3h3x s MET 381 Cb -0.31 -1.45 -0.05 0.00 0.00 0.00 0.00 34.83 33.02 3h3x s MET 381 CO 0.40 0.13 0.78 -2.00 0.00 0.00 0.00 175.02 174.33 3h3x s GLU 382 N 0.36 4.51 0.39 2.03 2.12 0.12 -4.41 118.70 123.81 3h3x s GLU 382 Ca -0.09 1.09 0.08 0.00 0.36 0.00 0.00 54.97 56.40 3h3x s GLU 382 Cb -0.13 -3.38 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 3h3x s GLU 382 CO 0.03 0.24 -0.02 0.14 -0.54 0.00 0.00 175.26 175.11 3h3x s VAL 383 N 0.08 2.10 0.00 3.70 -7.23 -1.26 -1.82 120.40 115.97 3h3x s VAL 383 Ca 0.40 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3h3x s VAL 383 Cb -0.20 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.86 3h3x s VAL 383 CO 0.23 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 3h3x n GLY 384 N -0.91 -0.45 0.26 2.32 0.00 -1.13 -4.68 105.19 100.60 3h3x n GLY 384 Ca -0.05 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.79 3h3x n GLY 384 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h3x h PRO 385 N 3.56 0.50 -0.48 1.61 0.11 -1.80 -0.35 132.00 135.15 3h3x h PRO 385 Ca 0.00 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3h3x h PRO 385 Cb 0.00 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 3h3x h PRO 385 CO 0.00 0.33 0.30 1.25 -0.21 0.00 0.00 178.00 179.67 3h3x h LEU 386 N 0.51 0.51 -0.06 2.35 5.85 -1.87 0.36 115.31 122.96 3h3x h LEU 386 Ca 0.36 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.08 3h3x h LEU 386 Cb 0.44 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3h3x h LEU 386 CO -0.31 0.37 -0.02 0.00 -0.34 0.00 0.00 178.44 178.13 3h3x h ALA 387 N 1.19 0.03 -0.44 1.25 0.00 -1.41 -0.88 119.26 119.00 3h3x h ALA 387 Ca 0.18 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3h3x h ALA 387 Cb -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3h3x h ALA 387 CO -0.06 -0.50 0.26 0.00 0.00 0.00 0.00 179.25 178.94 3h3x h ARG 388 N -0.02 0.50 0.22 0.00 3.08 -0.89 -1.65 114.38 115.62 3h3x h ARG 388 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3h3x h ARG 388 Cb 0.06 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3h3x h ARG 388 CO -0.07 0.33 -0.23 1.15 -1.07 0.00 0.00 179.97 180.08 3h3x h THR 389 N 0.52 0.49 -0.73 2.04 2.02 -0.60 0.85 112.91 117.49 3h3x h THR 389 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.40 3h3x h THR 389 Cb 0.02 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 3h3x h THR 389 CO -0.09 0.00 0.45 -0.26 0.37 0.00 0.00 175.52 175.99 3h3x h PHE 390 N -0.49 0.84 -0.30 3.16 0.04 -1.11 0.37 116.94 119.45 3h3x h PHE 390 Ca 0.00 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 3h3x h PHE 390 Cb 0.47 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3h3x h PHE 390 CO -0.17 0.45 -0.09 0.82 -0.60 0.00 0.00 178.31 178.72 3h3x h ILE 391 N 0.85 1.29 -0.35 -0.55 2.04 -1.11 0.42 117.51 120.11 3h3x h ILE 391 Ca 0.31 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3h3x h ILE 391 Cb 0.09 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3h3x h ILE 391 CO -0.14 0.37 -0.14 0.00 0.00 0.00 0.00 178.15 178.24 3h3x h ALA 392 N 0.78 0.48 -0.14 1.87 0.00 -0.62 -1.39 119.26 120.23 3h3x h ALA 392 Ca 0.07 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3h3x h ALA 392 Cb 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3h3x h ALA 392 CO 0.03 0.38 -0.21 -0.92 0.00 0.00 0.00 179.25 178.54 3h3x h TYR 393 N 0.49 -0.54 -0.11 0.00 3.20 -0.22 -0.26 116.97 119.53 3h3x h TYR 393 Ca 0.08 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3h3x h TYR 393 Cb 0.67 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3h3x h TYR 393 CO 0.06 -0.28 -0.24 0.00 -1.64 0.00 0.00 178.16 176.05 3h3x h ALA 394 N 0.76 1.40 -0.00 1.82 0.00 -0.80 -0.30 119.26 122.14 3h3x h ALA 394 Ca 0.10 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h3x h ALA 394 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3h3x h ALA 394 CO -0.29 0.42 -0.04 1.63 0.00 0.00 0.00 179.25 180.97 3h3x n LYS 395 N -4.19 0.15 -1.91 0.00 5.02 -0.54 -4.93 118.16 111.77 3h3x n LYS 395 Ca -0.01 -0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.23 3h3x n LYS 395 Cb 0.34 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3h3x n LYS 395 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 396 N 1.43 0.29 3.65 0.72 0.00 -0.12 -4.97 105.19 106.19 3h3x n GLY 396 Ca 0.09 -0.77 -0.44 0.00 0.00 0.00 0.00 46.02 44.90 3h3x n GLY 396 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h3x n GLN 397 N -1.58 2.48 -0.19 1.61 0.00 -0.33 -4.85 117.38 114.51 3h3x n GLN 397 Ca -0.04 0.87 0.08 0.00 -0.00 0.00 0.00 57.00 57.91 3h3x n GLN 397 Cb 0.46 -2.95 0.36 0.00 0.00 0.00 0.00 30.24 28.12 3h3x n GLN 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3h3x h PRO 398 N 11.20 0.71 -0.06 3.69 0.11 -1.93 -1.04 132.00 144.69 3h3x h PRO 398 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3h3x h PRO 398 Cb 1.25 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3h3x h PRO 398 CO 0.95 0.47 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.73 3h3x h ASP 399 N 0.73 0.13 -0.48 -2.05 3.32 -1.98 -1.99 116.42 114.10 3h3x h ASP 399 Ca 0.33 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3h3x h ASP 399 Cb 0.35 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3h3x h ASP 399 CO -0.12 0.55 0.28 -0.26 -1.72 0.00 0.00 179.24 177.97 3h3x h PHE 400 N -0.28 0.65 -0.59 4.55 -1.00 -1.84 -1.62 116.94 116.80 3h3x h PHE 400 Ca 0.01 -0.01 0.07 0.00 2.81 0.00 0.00 57.97 60.85 3h3x h PHE 400 Cb 0.50 -0.21 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 3h3x h PHE 400 CO 0.08 0.47 0.28 -0.22 -1.61 0.00 0.00 178.31 177.31 3h3x h LYS 401 N 0.64 0.50 0.20 1.51 1.63 -1.19 0.22 116.57 120.08 3h3x h LYS 401 Ca 0.17 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3h3x h LYS 401 Cb 0.03 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3h3x h LYS 401 CO -0.03 0.33 -0.09 -0.22 -3.45 0.00 0.00 179.45 175.98 3h3x h LYS 402 N 0.51 -0.25 -0.30 1.90 3.64 -1.15 -2.71 116.57 118.21 3h3x h LYS 402 Ca 0.28 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3h3x h LYS 402 Cb 0.25 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3h3x h LYS 402 CO -0.22 -0.01 -0.24 0.28 -2.27 0.00 0.00 179.45 176.99 3h3x h VAL 403 N -0.48 1.30 0.15 2.00 2.07 -0.86 -0.87 116.25 119.56 3h3x h VAL 403 Ca -0.03 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.12 3h3x h VAL 403 Cb 0.36 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3h3x h VAL 403 CO 0.04 0.44 -0.24 0.58 0.02 0.00 0.00 177.57 178.42 3h3x h VAL 404 N 0.44 0.48 0.00 2.57 2.07 -0.66 0.53 116.25 121.67 3h3x h VAL 404 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3h3x h VAL 404 Cb 0.79 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3h3x h VAL 404 CO 0.06 0.00 -0.09 0.44 0.02 0.00 0.00 177.57 178.00 3h3x h ASP 405 N -0.45 0.00 0.18 0.57 3.32 -1.34 0.37 116.42 119.07 3h3x h ASP 405 Ca 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3h3x h ASP 405 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3h3x h ASP 405 CO -0.11 0.09 -0.09 -0.03 -1.72 0.00 0.00 179.24 177.39 3h3x h MET 406 N 0.00 -0.23 -0.31 3.56 4.05 -0.46 -1.17 114.93 120.36 3h3x h MET 406 Ca -0.00 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 3h3x h MET 406 Cb 0.20 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3h3x h MET 406 CO 0.01 -0.10 0.01 0.28 0.23 0.00 0.00 176.91 177.34 3h3x h VAL 407 N -0.31 1.25 -0.74 -5.77 2.07 0.12 0.19 116.25 113.06 3h3x h VAL 407 Ca -0.02 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.66 3h3x h VAL 407 Cb 0.24 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3h3x h VAL 407 CO 0.04 0.30 0.37 -0.07 0.02 0.00 0.00 177.57 178.24 3h3x h LEU 408 N 0.35 0.48 -0.16 2.57 3.38 -0.31 0.75 115.31 122.38 3h3x h LEU 408 Ca 0.09 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 3h3x h LEU 408 Cb 0.43 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3h3x h LEU 408 CO 0.01 0.26 -0.90 1.23 0.09 0.00 0.00 178.44 179.14 3h3x h GLY 409 N 0.62 0.66 1.00 0.83 0.00 -1.05 0.73 103.07 105.85 3h3x h GLY 409 Ca 0.37 -1.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 3h3x h GLY 409 CO -0.28 0.94 -0.05 1.70 0.00 0.00 0.00 176.54 178.84 3h3x h LYS 410 N 0.37 0.83 -0.00 4.80 1.63 -0.31 -2.67 116.57 121.20 3h3x h LYS 410 Ca -0.08 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3h3x h LYS 410 Cb 1.52 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 3h3x h LYS 410 CO 0.17 0.91 -0.05 1.28 -3.45 0.00 0.00 179.45 178.31 3h3x n LEU 411 N -4.33 0.36 -3.99 5.20 4.77 0.20 -4.96 117.00 114.25 3h3x n LEU 411 Ca -0.00 0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 3h3x n LEU 411 Cb 0.34 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3h3x n LEU 411 CO 0.43 0.06 -0.22 -1.20 -1.33 0.00 0.00 177.39 175.13 3h3x n SER 412 N -0.92 -2.47 -4.22 -1.43 7.64 0.10 -5.01 113.62 107.30 3h3x n SER 412 Ca 0.17 -1.15 -0.16 0.00 1.01 0.00 0.00 58.87 58.74 3h3x n SER 412 Cb 0.24 -2.45 -0.11 0.00 -1.01 0.00 0.00 64.21 60.88 3h3x n SER 412 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3h3x s VAL 413 N -3.79 1.19 0.63 0.44 -7.23 -0.32 -5.03 120.40 106.29 3h3x s VAL 413 Ca 0.27 -1.76 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 3h3x s VAL 413 Cb -0.12 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3h3x s VAL 413 CO 0.93 -0.52 1.09 -2.16 -0.31 0.00 0.00 175.10 174.13 3h3x s PRO 414 N -2.90 3.05 0.35 4.82 0.04 -1.26 -4.65 135.00 134.45 3h3x s PRO 414 Ca 0.09 1.30 0.18 0.00 0.04 0.00 0.00 61.00 62.62 3h3x s PRO 414 Cb -0.03 -1.99 1.25 0.00 0.04 0.00 0.00 34.50 33.77 3h3x s PRO 414 CO 0.02 -1.04 1.53 0.00 0.04 0.00 0.00 177.00 177.55 3h3x n ALA 415 N -2.24 0.95 0.37 8.56 0.00 -1.26 -1.00 120.51 125.89 3h3x n ALA 415 Ca 0.10 1.00 0.09 0.00 0.00 0.00 0.00 53.44 54.62 3h3x n ALA 415 Cb 0.52 -0.97 0.40 0.00 0.00 0.00 0.00 19.45 19.40 3h3x n ALA 415 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h3x n THR 416 N -5.22 1.02 1.58 0.00 -2.24 -1.26 -1.65 114.28 106.50 3h3x n THR 416 Ca 0.35 0.32 0.15 0.00 -2.27 0.00 0.00 64.05 62.60 3h3x n THR 416 Cb 1.20 -1.21 0.80 0.00 -2.10 0.00 0.00 70.33 69.02 3h3x n THR 416 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3x n ALA 417 N -1.66 2.51 0.28 6.98 0.00 -0.17 -2.76 120.51 125.68 3h3x n ALA 417 Ca 0.02 -0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3h3x n ALA 417 Cb 0.17 -1.48 0.29 0.00 0.00 0.00 0.00 19.45 18.43 3h3x n ALA 417 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h3x h LEU 418 N 0.00 0.00 -6.47 0.00 3.38 -1.49 -3.37 115.31 107.36 3h3x h LEU 418 Ca 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.27 3h3x h LEU 418 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3h3x h LEU 418 CO 0.00 0.00 2.86 1.41 0.09 0.00 0.00 178.44 182.80 3h3x n HIS 419 N -2.99 3.70 -3.74 1.13 8.25 -1.11 -3.93 115.22 116.52 3h3x n HIS 419 Ca 0.04 -2.87 -0.02 0.00 -0.26 0.00 0.00 57.72 54.61 3h3x n HIS 419 Cb 0.47 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 29.04 3h3x n HIS 419 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h3x s SER 420 N 3.57 -0.11 0.14 0.41 1.04 -1.26 -3.62 113.70 113.87 3h3x s SER 420 Ca 0.49 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.43 3h3x s SER 420 Cb 0.12 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3h3x s SER 420 CO -0.04 -0.74 1.59 0.74 0.98 0.00 0.00 173.24 175.78 3h3x h THR 421 N 2.00 1.26 -0.83 2.02 2.02 -0.63 0.56 112.91 119.31 3h3x h THR 421 Ca -0.26 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 65.85 3h3x h THR 421 Cb 1.22 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3h3x h THR 421 CO 0.28 0.38 0.55 0.25 0.37 0.00 0.00 175.52 177.34 3h3x h LEU 422 N 0.70 0.93 -0.16 2.58 5.85 -1.72 -1.37 115.31 122.12 3h3x h LEU 422 Ca 0.13 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 422 Cb 0.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3h3x h LEU 422 CO 0.03 0.66 -0.39 1.23 -0.34 0.00 0.00 178.44 179.63 3h3x h GLY 423 N 1.09 0.60 0.46 3.75 0.00 -1.63 -0.71 103.07 106.62 3h3x h GLY 423 Ca 0.31 -0.74 0.12 0.00 0.00 0.00 0.00 47.33 47.02 3h3x h GLY 423 CO -0.08 0.66 0.56 -0.09 0.00 0.00 0.00 176.54 177.60 3h3x h ARG 424 N 0.18 0.87 -0.01 4.80 2.43 -0.68 0.25 114.38 122.21 3h3x h ARG 424 Ca -0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3h3x h ARG 424 Cb 1.00 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3h3x h ARG 424 CO 0.08 0.58 -0.04 1.15 -1.51 0.00 0.00 179.97 180.23 3h3x h THR 425 N 0.90 1.49 -0.56 0.20 2.02 -1.08 -3.15 112.91 112.73 3h3x h THR 425 Ca 0.46 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3h3x h THR 425 Cb 0.47 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 3h3x h THR 425 CO -0.27 0.40 0.29 0.00 0.37 0.00 0.00 175.52 176.31 3h3x h ALA 426 N 0.39 1.47 -0.75 6.16 0.00 -0.75 -2.59 119.26 123.19 3h3x h ALA 426 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h3x h ALA 426 Cb 0.67 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3h3x h ALA 426 CO 0.01 0.44 0.43 0.00 0.00 0.00 0.00 179.25 180.12 3h3x h ALA 427 N 1.55 1.33 -0.81 0.00 0.00 -0.52 -0.23 119.26 120.57 3h3x h ALA 427 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3h3x h ALA 427 Cb 0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3h3x h ALA 427 CO -0.03 0.56 0.53 -0.09 0.00 0.00 0.00 179.25 180.21 3h3x h ARG 428 N 1.05 1.08 -0.12 0.00 2.43 -1.42 -0.80 114.38 116.59 3h3x h ARG 428 Ca 0.27 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3h3x h ARG 428 Cb 0.00 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3h3x h ARG 428 CO -0.05 0.72 -0.34 0.78 -1.51 0.00 0.00 179.97 179.58 3h3x h GLY 429 N 1.11 0.48 -0.00 2.80 0.00 -1.18 -2.64 103.07 103.63 3h3x h GLY 429 Ca 0.30 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.05 3h3x h GLY 429 CO -0.06 0.55 -0.45 -2.22 0.00 0.00 0.00 176.54 174.36 3h3x h ILE 430 N 0.02 0.11 0.00 2.60 2.04 -0.55 -1.17 117.51 120.57 3h3x h ILE 430 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3h3x h ILE 430 Cb 0.95 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3h3x h ILE 430 CO 0.07 0.00 -0.25 1.05 0.00 0.00 0.00 178.15 179.03 3h3x h GLU 431 N -0.52 0.00 -0.33 2.37 4.11 -1.19 -1.59 114.58 117.43 3h3x h GLU 431 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 3h3x h GLU 431 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3h3x h GLU 431 CO -0.40 0.25 0.18 1.15 0.07 0.00 0.00 179.01 180.26 3h3x h THR 432 N 0.00 1.14 -0.60 -1.06 2.02 -0.96 -1.21 112.91 112.25 3h3x h THR 432 Ca -0.00 -0.36 0.08 0.00 0.77 0.00 0.00 66.41 66.91 3h3x h THR 432 Cb 0.44 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3h3x h THR 432 CO 0.03 0.14 0.40 0.00 0.37 0.00 0.00 175.52 176.46 3h3x h ALA 433 N 1.05 1.94 0.11 6.16 0.00 -0.27 -0.98 119.26 127.27 3h3x h ALA 433 Ca 0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 3h3x h ALA 433 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h3x h ALA 433 CO -0.02 -0.06 -1.25 0.82 0.00 0.00 0.00 179.25 178.75 3h3x h ILE 434 N 0.47 1.49 0.07 0.00 2.04 -1.11 -1.96 117.51 118.52 3h3x h ILE 434 Ca 0.27 -3.08 -0.00 0.00 1.00 0.00 0.00 64.86 63.05 3h3x h ILE 434 Cb 0.44 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3h3x h ILE 434 CO -0.08 0.89 -0.03 0.58 0.00 0.00 0.00 178.15 179.51 3h3x h VAL 435 N 0.06 1.09 -0.63 1.67 2.07 -0.74 -2.68 116.25 117.10 3h3x h VAL 435 Ca -0.13 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 66.97 3h3x h VAL 435 Cb 1.95 1.45 -0.11 0.00 -1.52 0.00 0.00 31.29 33.06 3h3x h VAL 435 CO 0.19 0.14 -0.04 0.00 0.02 0.00 0.00 177.57 177.88 3h3x h ALA 437 N 1.59 1.00 -0.00 0.00 0.00 -1.16 -2.89 119.26 117.80 3h3x h ALA 437 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3h3x h ALA 437 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h3x h ALA 437 CO -0.57 0.00 -0.81 0.09 0.00 0.00 0.00 179.25 177.96 3h3x n ASN 438 N -3.02 0.91 -0.04 0.00 3.02 -0.02 -4.69 115.26 111.43 3h3x n ASN 438 Ca -0.02 -0.95 -0.08 0.00 -0.03 0.00 0.00 54.58 53.49 3h3x n ASN 438 Cb 0.11 0.96 -0.02 0.00 -0.61 0.00 0.00 39.78 40.23 3h3x n ASN 438 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3h3x h MET 439 N 0.14 -0.14 -0.66 3.52 2.86 -1.17 -1.12 114.93 118.37 3h3x h MET 439 Ca 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3h3x h MET 439 Cb 0.44 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3h3x h MET 439 CO 0.00 -0.09 0.31 1.49 1.06 0.00 0.00 176.91 179.68 3h3x h GLU 440 N -0.14 0.96 -0.12 1.72 4.81 -1.83 0.35 114.58 120.32 3h3x h GLU 440 Ca 0.13 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3h3x h GLU 440 Cb 0.33 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3h3x h GLU 440 CO -0.31 0.76 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.45 3h3x h LYS 441 N 0.92 -0.05 -0.34 1.92 3.64 -1.76 -0.85 116.57 120.05 3h3x h LYS 441 Ca 0.23 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3h3x h LYS 441 Cb 0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3h3x h LYS 441 CO -0.03 -0.03 0.15 -1.49 -2.27 0.00 0.00 179.45 175.78 3h3x h TRP 442 N -0.05 0.50 -0.66 1.91 6.55 -0.61 -1.72 115.95 121.87 3h3x h TRP 442 Ca 0.07 -0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.90 3h3x h TRP 442 Cb 0.15 -0.15 -0.04 0.00 -0.86 0.00 0.00 29.16 28.26 3h3x h TRP 442 CO -0.19 0.45 0.42 0.82 -1.05 0.00 0.00 178.44 178.89 3h3x h ILE 443 N 0.41 1.12 -0.50 1.49 2.04 -0.18 -2.45 117.51 119.44 3h3x h ILE 443 Ca 0.12 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 3h3x h ILE 443 Cb 0.14 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3h3x h ILE 443 CO -0.01 0.15 -0.05 0.50 0.00 0.00 0.00 178.15 178.75 3h3x h LYS 444 N 0.84 0.86 -0.88 2.37 3.64 -0.97 -1.51 116.57 120.93 3h3x h LYS 444 Ca 0.26 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3h3x h LYS 444 Cb -0.03 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3h3x h LYS 444 CO -0.08 0.89 0.53 1.49 -2.27 0.00 0.00 179.45 180.01 3h3x h GLU 445 N 0.79 1.19 0.06 1.90 4.81 -1.00 -1.21 114.58 121.12 3h3x h GLU 445 Ca 0.14 -0.11 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 3h3x h GLU 445 Cb 0.54 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3h3x h GLU 445 CO 0.03 0.83 -1.08 1.98 -0.73 0.00 0.00 179.01 180.04 3h3x h MET 446 N 1.20 0.26 -0.44 1.92 4.05 -1.25 -1.17 114.93 119.50 3h3x h MET 446 Ca 0.31 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3h3x h MET 446 Cb -0.06 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 3h3x h MET 446 CO -0.06 1.12 0.25 0.00 0.23 0.00 0.00 176.91 178.45 3h3x h ALA 447 N 0.73 0.57 0.10 0.39 0.00 -1.18 1.15 119.26 121.02 3h3x h ALA 447 Ca -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h3x h ALA 447 Cb 1.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3h3x h ALA 447 CO 0.17 0.08 -0.05 -0.44 0.00 0.00 0.00 179.25 179.01 3h3x h ASP 448 N 0.58 -0.12 -0.20 0.00 3.32 -1.23 0.17 116.42 118.95 3h3x h ASP 448 Ca 0.16 -0.24 0.05 0.00 0.02 0.00 0.00 57.03 57.01 3h3x h ASP 448 Cb 0.04 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3h3x h ASP 448 CO -0.03 0.18 -0.11 -1.28 -1.72 0.00 0.00 179.24 176.29 3h3x h SER 449 N -0.42 -0.36 0.38 6.45 0.87 -0.86 -1.91 113.55 117.71 3h3x h SER 449 Ca -0.01 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 3h3x h SER 449 Cb 0.35 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 3h3x h SER 449 CO 0.02 -0.14 -0.49 1.23 -0.53 0.00 0.00 176.83 176.92 3h3x h GLY 450 N -0.09 -1.22 -0.91 5.77 0.00 0.15 -2.08 103.07 104.68 3h3x h GLY 450 Ca 0.11 0.60 0.29 0.00 0.00 0.00 0.00 47.33 48.32 3h3x h GLY 450 CO -0.26 -0.34 0.12 0.00 0.00 0.00 0.00 176.54 176.06 3h3x h ALA 451 N -0.86 1.32 0.38 3.60 0.00 -0.28 -2.12 119.26 121.31 3h3x h ALA 451 Ca -0.05 0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3h3x h ALA 451 Cb 0.80 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3h3x h ALA 451 CO -0.12 -0.61 -0.18 0.87 0.00 0.00 0.00 179.25 179.20 3h3x h LYS 452 N 0.03 -0.50 -3.30 0.00 1.57 -0.98 -3.47 116.57 109.93 3h3x h LYS 452 Ca 0.63 0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 59.25 3h3x h LYS 452 Cb 1.36 0.11 -0.27 0.00 0.08 0.00 0.00 32.23 33.51 3h3x h LYS 452 CO -0.87 -0.18 -0.52 0.34 -0.57 0.00 0.00 179.45 177.64 3h3x s ASP 453 N -4.97 -0.18 -0.21 0.86 2.15 -0.80 -5.07 116.67 108.46 3h3x s ASP 453 Ca -0.14 0.35 0.15 0.00 0.43 0.00 0.00 52.55 53.34 3h3x s ASP 453 Cb 0.02 0.34 0.63 0.00 -0.30 0.00 0.00 42.92 43.61 3h3x s ASP 453 CO 0.50 -0.07 1.55 -0.46 -0.17 0.00 0.00 175.17 176.52 3h3x n ASN 454 N 3.17 4.42 -4.66 -0.34 2.04 -1.26 -4.28 115.26 114.36 3h3x n ASN 454 Ca -0.15 -3.05 -0.48 0.00 -0.44 0.00 0.00 54.58 50.46 3h3x n ASN 454 Cb 0.58 -0.61 -0.05 0.00 -2.53 0.00 0.00 39.78 37.17 3h3x n ASN 454 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3h3x n THR 455 N -0.20 0.17 0.00 5.53 -1.04 -1.26 -4.80 114.28 112.68 3h3x n THR 455 Ca 0.25 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3h3x n THR 455 Cb 1.03 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 3h3x n THR 455 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3h3x n LEU 456 N 4.22 0.00 -3.77 -4.42 7.94 -1.26 -4.45 117.00 115.26 3h3x n LEU 456 Ca 0.19 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.93 3h3x n LEU 456 Cb 0.26 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.05 3h3x n LEU 456 CO 0.67 0.00 -0.36 0.00 -1.11 0.00 0.00 177.39 176.59 3h3x s ALA 458 N 1.19 3.67 0.46 0.00 0.00 0.06 -4.94 121.76 122.21 3h3x s ALA 458 Ca -0.08 -0.62 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 3h3x s ALA 458 Cb -0.13 -2.23 -0.10 0.00 0.00 0.00 0.00 23.12 20.67 3h3x s ALA 458 CO -0.03 0.30 0.97 0.15 0.00 0.00 0.00 175.76 177.16 3h3x s LYS 459 N -3.46 4.09 0.15 0.00 1.02 -1.26 -4.63 119.74 115.64 3h3x s LYS 459 Ca 0.43 1.10 -0.15 0.00 0.02 0.00 0.00 55.97 57.36 3h3x s LYS 459 Cb -0.11 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 3h3x s LYS 459 CO 0.29 -0.15 0.40 1.67 -0.92 0.00 0.00 175.35 176.64 3h3x s TRP 460 N -2.30 -0.07 -0.03 3.18 1.48 -1.26 -4.95 118.94 115.00 3h3x s TRP 460 Ca 0.62 -0.27 0.06 0.00 -1.06 0.00 0.00 56.10 55.44 3h3x s TRP 460 Cb -0.10 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.42 3h3x s TRP 460 CO 0.19 -0.75 -0.20 -1.21 -4.06 0.00 0.00 176.95 170.92 3h3x s GLU 461 N -3.85 1.82 -0.12 3.25 2.02 -1.26 -5.11 118.70 115.45 3h3x s GLU 461 Ca 0.07 -0.72 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 3h3x s GLU 461 Cb 0.02 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 3h3x s GLU 461 CO -0.08 0.37 1.17 1.41 0.02 0.00 0.00 175.26 178.16 3h3x s MET 462 N -0.28 4.31 0.46 1.61 -2.45 -1.26 -4.86 119.30 116.82 3h3x s MET 462 Ca 0.03 1.59 -0.20 0.00 -1.25 0.00 0.00 55.69 55.86 3h3x s MET 462 Cb -0.10 -3.64 -0.10 0.00 1.25 0.00 0.00 34.83 32.25 3h3x s MET 462 CO 0.01 -0.54 0.97 -1.25 1.05 0.00 0.00 175.02 175.26 3h3x s PRO 463 N 2.75 4.08 0.26 4.11 0.04 -1.26 -4.96 135.00 140.02 3h3x s PRO 463 Ca 0.53 1.12 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 3h3x s PRO 463 Cb -0.22 -2.15 0.41 0.00 0.04 0.00 0.00 34.50 32.58 3h3x s PRO 463 CO 0.17 -0.16 1.88 1.49 0.04 0.00 0.00 177.00 180.42 3h3x h GLU 464 N 1.60 1.13 -2.48 4.56 4.57 -1.95 -3.36 114.58 118.64 3h3x h GLU 464 Ca -0.48 -0.07 -0.08 0.00 -1.18 0.00 0.00 59.36 57.54 3h3x h GLU 464 Cb 1.19 -0.25 -0.24 0.00 -0.16 0.00 0.00 28.75 29.28 3h3x h GLU 464 CO 0.61 0.75 -0.18 -2.00 -1.18 0.00 0.00 179.01 177.00 3h3x s GLU 465 N -6.04 0.51 0.14 1.92 2.12 -1.26 -0.48 118.70 115.62 3h3x s GLU 465 Ca -0.12 0.85 -0.25 0.00 0.36 0.00 0.00 54.97 55.81 3h3x s GLU 465 Cb 0.20 0.10 0.08 0.00 0.26 0.00 0.00 34.13 34.77 3h3x s GLU 465 CO 0.81 -0.13 1.04 0.45 -0.54 0.00 0.00 175.26 176.89 3h3x s SER 466 N 1.10 -0.08 0.05 -1.70 0.15 -0.73 -4.99 113.70 107.51 3h3x s SER 466 Ca -0.07 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.10 3h3x s SER 466 Cb -0.06 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 3h3x s SER 466 CO -0.10 -0.85 -0.04 -1.59 1.20 0.00 0.00 173.24 171.85 3h3x s LYS 467 N -2.70 0.59 0.09 5.44 -2.85 -1.26 -0.04 119.74 119.00 3h3x s LYS 467 Ca 0.17 -1.06 -0.19 0.00 -1.00 0.00 0.00 55.97 53.88 3h3x s LYS 467 Cb -0.01 0.04 0.05 0.00 -2.06 0.00 0.00 37.83 35.84 3h3x s LYS 467 CO 0.03 -0.06 0.47 0.20 0.10 0.00 0.00 175.35 176.09 3h3x s GLY 468 N -2.48 -0.37 -0.04 0.59 0.00 -0.83 -4.06 107.32 100.13 3h3x s GLY 468 Ca 0.01 0.31 0.03 0.00 0.00 0.00 0.00 44.72 45.07 3h3x s GLY 468 CO -0.06 0.03 -0.11 0.54 0.00 0.00 0.00 173.10 173.50 3h3x s VAL 469 N -3.08 0.97 -0.26 1.40 0.11 -1.26 -1.40 120.40 116.89 3h3x s VAL 469 Ca -0.02 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 3h3x s VAL 469 Cb 0.00 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3h3x s VAL 469 CO -0.07 0.31 0.08 -0.83 -3.33 0.00 0.00 175.10 171.26 3h3x s GLY 470 N 0.41 1.77 -0.08 6.54 0.00 -0.28 -4.30 107.32 111.39 3h3x s GLY 470 Ca -0.08 -1.16 -0.02 0.00 0.00 0.00 0.00 44.72 43.47 3h3x s GLY 470 CO 0.02 0.55 0.00 1.08 0.00 0.00 0.00 173.10 174.75 3h3x s LEU 471 N 1.61 3.57 -0.02 0.66 1.43 -1.26 -1.82 118.68 122.85 3h3x s LEU 471 Ca 0.06 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 3h3x s LEU 471 Cb -0.15 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3h3x s LEU 471 CO 0.04 0.37 0.36 0.00 0.23 0.00 0.00 176.35 177.35 3h3x s ALA 472 N -0.90 -0.91 -0.73 4.21 0.00 -0.10 -4.91 121.76 118.43 3h3x s ALA 472 Ca 0.14 0.46 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 3h3x s ALA 472 Cb -0.11 0.05 0.19 0.00 0.00 0.00 0.00 23.12 23.25 3h3x s ALA 472 CO 0.03 -0.27 0.67 -0.51 0.00 0.00 0.00 175.76 175.67 3h3x s ASP 473 N -1.28 6.52 1.07 0.00 1.11 -1.17 -0.40 116.67 122.52 3h3x s ASP 473 Ca -0.13 -2.42 -0.13 0.00 0.18 0.00 0.00 52.55 50.05 3h3x s ASP 473 Cb -0.05 -2.19 0.23 0.00 1.07 0.00 0.00 42.92 41.98 3h3x s ASP 473 CO 0.05 -0.65 1.07 0.00 1.18 0.00 0.00 175.17 176.82 3h3x s ALA 474 N 0.59 0.48 0.49 5.23 0.00 -0.67 -4.84 121.76 123.04 3h3x s ALA 474 Ca 0.13 -0.38 0.28 0.00 0.00 0.00 0.00 51.96 51.99 3h3x s ALA 474 Cb -0.17 -3.12 1.35 0.00 0.00 0.00 0.00 23.12 21.18 3h3x s ALA 474 CO -0.05 -3.22 1.83 -1.35 0.00 0.00 0.00 175.76 172.97 3h3x h PRO 475 N -2.18 0.15 0.00 0.00 0.11 -1.94 -2.00 132.00 126.14 3h3x h PRO 475 Ca -0.56 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3h3x h PRO 475 Cb 1.33 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3h3x h PRO 475 CO 0.54 0.10 -0.76 0.54 -0.21 0.00 0.00 178.00 178.22 3h3x n ARG 476 N -4.37 0.02 0.00 1.05 1.74 -1.26 -4.35 116.66 109.49 3h3x n ARG 476 Ca 0.22 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3h3x n ARG 476 Cb 0.98 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3h3x n ARG 476 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3x n GLY 477 N 1.49 0.97 3.68 -0.13 0.00 -0.75 -2.84 105.19 107.60 3h3x n GLY 477 Ca 0.05 -1.92 -0.52 0.00 0.00 0.00 0.00 46.02 43.62 3h3x n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n ALA 478 N -1.00 0.45 -2.87 4.61 0.00 -1.26 -1.67 120.51 118.78 3h3x n ALA 478 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 3h3x n ALA 478 Cb 0.00 -2.39 -0.16 0.00 0.00 0.00 0.00 19.45 16.90 3h3x n ALA 478 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h3x s LEU 479 N 4.18 1.97 0.00 0.00 2.96 0.47 -2.74 118.68 125.52 3h3x s LEU 479 Ca 0.97 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3h3x s LEU 479 Cb -0.86 -1.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3h3x s LEU 479 CO 0.58 0.18 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.84 3h3x s SER 480 N -0.01 0.10 -0.04 3.68 1.04 -0.48 -0.93 113.70 117.07 3h3x s SER 480 Ca -0.04 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.32 3h3x s SER 480 Cb -0.13 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3h3x s SER 480 CO 0.03 -0.06 -0.20 -1.00 0.98 0.00 0.00 173.24 172.99 3h3x s HIS 481 N -0.33 1.94 -0.08 5.02 3.76 -0.75 -1.58 115.29 123.26 3h3x s HIS 481 Ca -0.03 -0.53 -0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3h3x s HIS 481 Cb -0.02 -1.28 0.03 0.00 1.11 0.00 0.00 32.58 32.41 3h3x s HIS 481 CO -0.00 -0.16 -0.01 -1.58 -0.85 0.00 0.00 174.74 172.13 3h3x s TRP 482 N -0.10 0.82 0.03 1.40 0.52 -0.22 -1.12 118.94 120.27 3h3x s TRP 482 Ca -0.02 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 55.91 3h3x s TRP 482 Cb -0.12 -0.88 -0.03 0.00 -1.15 0.00 0.00 33.47 31.30 3h3x s TRP 482 CO 0.02 -0.36 -0.23 -1.50 0.02 0.00 0.00 176.95 174.90 3h3x s ILE 483 N 1.90 2.36 -0.16 2.03 2.07 -0.49 -1.06 121.20 127.85 3h3x s ILE 483 Ca 0.05 -1.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.04 3h3x s ILE 483 Cb -0.12 -1.93 0.00 0.00 0.13 0.00 0.00 42.46 40.54 3h3x s ILE 483 CO -0.06 0.41 -0.17 -0.13 -1.91 0.00 0.00 174.94 173.08 3h3x s ARG 484 N -1.17 3.14 -0.17 3.50 0.52 0.36 -1.97 118.95 123.18 3h3x s ARG 484 Ca 0.12 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.50 3h3x s ARG 484 Cb -0.10 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3h3x s ARG 484 CO 0.02 -0.04 -0.01 0.42 0.02 0.00 0.00 175.30 175.71 3h3x s ILE 485 N 0.92 4.09 -0.01 1.52 1.01 0.94 -0.09 121.20 129.59 3h3x s ILE 485 Ca -0.04 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3h3x s ILE 485 Cb -0.15 -2.81 0.01 0.00 0.01 0.00 0.00 42.46 39.52 3h3x s ILE 485 CO -0.03 0.48 -0.02 -0.75 0.00 0.00 0.00 174.94 174.63 3h3x s LYS 486 N 0.43 0.25 -1.43 2.79 2.20 -0.24 -1.77 119.74 121.96 3h3x s LYS 486 Ca -0.02 -0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 55.47 3h3x s LYS 486 Cb -0.14 -0.30 0.04 0.00 -1.51 0.00 0.00 37.83 35.92 3h3x s LYS 486 CO 0.02 -0.01 0.62 0.41 -0.36 0.00 0.00 175.35 176.04 3h3x n GLY 487 N 3.39 -0.51 2.68 5.54 0.00 0.37 -1.18 105.19 115.49 3h3x n GLY 487 Ca -0.17 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 3h3x n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3x n LYS 488 N -4.01 -1.53 -4.48 1.61 5.02 -0.86 -4.97 118.16 108.93 3h3x n LYS 488 Ca -0.05 1.00 -0.23 0.00 -2.02 0.00 0.00 58.31 57.01 3h3x n LYS 488 Cb 0.58 -5.37 -0.11 0.00 -0.02 0.00 0.00 35.03 30.11 3h3x n LYS 488 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h3x s LYS 489 N -3.19 1.69 -0.27 1.97 -0.14 -0.32 -4.55 119.74 114.92 3h3x s LYS 489 Ca 0.00 -1.90 -0.29 0.00 -1.36 0.00 0.00 55.97 52.42 3h3x s LYS 489 Cb 0.00 -1.22 -0.01 0.00 -1.68 0.00 0.00 37.83 34.92 3h3x s LYS 489 CO 0.00 -0.04 1.44 0.42 -0.76 0.00 0.00 175.35 176.41 3h3x s ILE 490 N -3.00 3.95 -0.18 2.17 1.01 -0.54 -1.08 121.20 123.53 3h3x s ILE 490 Ca 0.33 1.07 -0.14 0.00 0.00 0.00 0.00 60.65 61.91 3h3x s ILE 490 Cb 0.06 -3.97 -0.21 0.00 0.01 0.00 0.00 42.46 38.35 3h3x s ILE 490 CO 0.15 -0.40 0.21 -0.67 0.00 0.00 0.00 174.94 174.22 3h3x n ASP 491 N 7.99 1.99 -3.83 3.58 2.03 0.87 -0.34 116.55 128.83 3h3x n ASP 491 Ca 0.16 0.30 -0.12 0.00 0.52 0.00 0.00 54.79 55.65 3h3x n ASP 491 Cb 0.46 -0.89 -0.12 0.00 -0.72 0.00 0.00 41.12 39.85 3h3x n ASP 491 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3h3x s ASN 492 N -6.97 -0.12 -0.03 1.67 3.84 -1.14 -4.81 114.94 107.38 3h3x s ASN 492 Ca -0.27 0.21 -0.00 0.00 0.21 0.00 0.00 52.86 53.01 3h3x s ASN 492 Cb 0.07 0.28 0.03 0.00 -0.55 0.00 0.00 41.25 41.08 3h3x s ASN 492 CO 0.66 -0.10 0.02 0.12 -2.79 0.00 0.00 177.10 175.01 3h3x s PHE 493 N -0.16 0.17 -0.03 0.43 2.19 -1.26 -0.48 117.98 118.84 3h3x s PHE 493 Ca -0.02 0.09 0.03 0.00 0.33 0.00 0.00 56.93 57.35 3h3x s PHE 493 Cb -0.02 -0.38 0.01 0.00 -1.31 0.00 0.00 43.02 41.31 3h3x s PHE 493 CO 0.00 -0.14 -0.10 -0.65 1.83 0.00 0.00 175.22 176.16 3h3x s GLN 494 N 1.33 1.15 -0.17 10.12 -1.52 -0.22 -4.67 119.66 125.67 3h3x s GLN 494 Ca -0.06 -0.34 -0.08 0.00 -1.95 0.00 0.00 55.36 52.93 3h3x s GLN 494 Cb -0.13 -1.04 -0.04 0.00 -0.22 0.00 0.00 33.01 31.58 3h3x s GLN 494 CO -0.03 0.10 0.10 -0.51 -0.25 0.00 0.00 175.29 174.71 3h3x s LEU 495 N 0.29 4.08 -0.20 2.90 1.02 -1.26 -1.05 118.68 124.45 3h3x s LEU 495 Ca -0.05 0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.33 3h3x s LEU 495 Cb -0.10 -2.03 0.04 0.00 0.02 0.00 0.00 46.19 44.11 3h3x s LEU 495 CO 0.01 0.23 -0.16 -0.69 0.02 0.00 0.00 176.35 175.76 3h3x s VAL 496 N 0.05 2.00 0.09 -1.59 1.01 -0.62 -5.03 120.40 116.32 3h3x s VAL 496 Ca 0.08 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 61.01 3h3x s VAL 496 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3h3x s VAL 496 CO -0.00 0.31 -0.23 -0.69 0.00 0.00 0.00 175.10 174.49 3h3x s VAL 497 N 1.26 2.48 0.22 2.92 1.01 -1.26 -1.38 120.40 125.66 3h3x s VAL 497 Ca -0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 61.98 60.35 3h3x s VAL 497 Cb -0.16 -2.07 0.28 0.00 0.00 0.00 0.00 36.38 34.43 3h3x s VAL 497 CO -0.10 0.20 1.61 -0.65 0.00 0.00 0.00 175.10 176.16 3h3x h PRO 498 N 4.18 -0.02 0.00 2.72 0.10 -1.76 0.17 132.00 137.40 3h3x h PRO 498 Ca -0.49 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.58 3h3x h PRO 498 Cb 1.16 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.26 3h3x h PRO 498 CO 0.43 -0.01 -0.12 0.77 0.10 0.00 0.00 178.00 179.17 3h3x h SER 499 N -0.02 0.00 -0.43 -2.05 0.02 -1.87 0.95 113.55 110.16 3h3x h SER 499 Ca 0.34 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3h3x h SER 499 Cb 0.53 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3h3x h SER 499 CO -0.74 0.12 0.25 0.74 -1.14 0.00 0.00 176.83 176.06 3h3x h THR 500 N 0.00 1.03 0.05 -2.27 2.02 -0.90 0.13 112.91 112.97 3h3x h THR 500 Ca -0.00 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3h3x h THR 500 Cb 0.22 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3h3x h THR 500 CO 0.02 0.09 -0.07 -0.50 0.37 0.00 0.00 175.52 175.42 3h3x h TRP 501 N 0.50 -0.19 0.05 3.16 4.06 -0.21 -2.62 115.95 120.70 3h3x h TRP 501 Ca 0.17 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.88 3h3x h TRP 501 Cb 0.03 0.08 0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3h3x h TRP 501 CO -0.08 -0.12 -1.00 -0.91 -3.56 0.00 0.00 178.44 172.78 3h3x h ASN 502 N -0.16 0.79 -0.07 -3.49 2.35 -1.11 -3.39 115.58 110.51 3h3x h ASN 502 Ca 0.01 -0.79 0.00 0.00 -0.55 0.00 0.00 56.30 54.97 3h3x h ASN 502 Cb 0.16 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3h3x h ASN 502 CO -0.04 1.49 0.00 0.18 -1.65 0.00 0.00 177.43 177.40 3h3x n LEU 503 N -3.94 2.33 -4.63 1.61 4.32 0.44 -1.39 117.00 115.75 3h3x n LEU 503 Ca -0.12 -2.30 -0.29 0.00 -0.02 0.00 0.00 56.01 53.28 3h3x n LEU 503 Cb 0.87 -0.16 0.22 0.00 -1.62 0.00 0.00 43.42 42.72 3h3x n LEU 503 CO 0.54 0.59 0.63 -0.83 -1.22 0.00 0.00 177.39 177.11 3h3x s GLY 504 N -1.46 1.58 0.00 -0.72 0.00 -0.99 -4.79 107.32 100.94 3h3x s GLY 504 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.09 3h3x s GLY 504 CO 0.04 0.03 0.00 -1.55 0.00 0.00 0.00 173.10 171.62 3h3x n PRO 505 N -4.54 0.36 -1.61 2.90 -0.04 -1.26 -4.50 135.00 126.31 3h3x n PRO 505 Ca 0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 3h3x n PRO 505 Cb 0.59 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.12 3h3x n PRO 505 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h3x s ARG 506 N -2.20 2.41 0.09 0.54 0.52 -1.26 -4.25 118.95 114.80 3h3x s ARG 506 Ca 0.00 1.76 -0.01 0.00 -0.52 0.00 0.00 55.73 56.96 3h3x s ARG 506 Cb 0.00 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.62 3h3x s ARG 506 CO 0.00 -1.63 0.12 0.41 0.02 0.00 0.00 175.30 174.23 3h3x n GLY 507 N 0.35 -0.17 0.30 -3.53 0.00 -0.93 -4.35 105.19 96.86 3h3x n GLY 507 Ca 0.13 -1.82 0.20 0.00 0.00 0.00 0.00 46.02 44.52 3h3x n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x h ALA 508 N -1.19 1.00 -0.24 4.61 0.00 -1.93 0.22 119.26 121.73 3h3x h ALA 508 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h3x h ALA 508 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h3x h ALA 508 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3h3x n GLN 509 N -3.05 1.98 -1.10 0.00 6.02 -1.26 -4.91 117.38 115.06 3h3x n GLN 509 Ca -0.01 -1.48 -0.03 0.00 -0.01 0.00 0.00 57.00 55.46 3h3x n GLN 509 Cb 0.20 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 30.02 3h3x n GLN 509 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h3x n GLY 510 N 1.25 0.65 3.70 1.08 0.00 0.06 -5.01 105.19 106.91 3h3x n GLY 510 Ca 0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3h3x n GLY 510 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h3x s ASP 511 N -2.69 7.20 0.49 1.61 -4.77 -1.26 -4.80 116.67 112.45 3h3x s ASP 511 Ca 0.00 1.69 -0.23 0.00 -3.30 0.00 0.00 52.55 50.71 3h3x s ASP 511 Cb 0.00 -2.56 -0.08 0.00 -1.09 0.00 0.00 42.92 39.19 3h3x s ASP 511 CO 0.00 -0.45 1.15 0.29 0.70 0.00 0.00 175.17 176.86 3h3x n LYS 512 N 4.69 1.49 -1.67 2.11 5.02 -1.26 -2.19 118.16 126.36 3h3x n LYS 512 Ca 0.09 0.54 -0.29 0.00 -2.02 0.00 0.00 58.31 56.63 3h3x n LYS 512 Cb 0.48 -2.28 0.12 0.00 -0.02 0.00 0.00 35.03 33.33 3h3x n LYS 512 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3h3x s SER 513 N -0.82 3.94 0.17 4.39 1.04 -1.26 -4.71 113.70 116.45 3h3x s SER 513 Ca 0.67 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 3h3x s SER 513 Cb -0.48 -1.48 0.12 0.00 0.10 0.00 0.00 66.02 64.28 3h3x s SER 513 CO 0.53 -2.28 1.69 -0.65 0.98 0.00 0.00 173.24 173.52 3h3x h PRO 514 N -1.31 0.09 -0.71 4.02 0.11 -1.78 0.15 132.00 132.58 3h3x h PRO 514 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3h3x h PRO 514 Cb 1.33 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3h3x h PRO 514 CO 0.63 0.06 0.26 -0.24 -0.21 0.00 0.00 178.00 178.50 3h3x h VAL 515 N 0.09 1.25 0.01 3.15 3.04 -1.58 0.21 116.25 122.42 3h3x h VAL 515 Ca 0.21 -0.80 -0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3h3x h VAL 515 Cb 0.30 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3h3x h VAL 515 CO -0.36 0.32 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.19 3h3x h GLU 516 N 1.03 -0.01 -0.13 4.17 5.08 -1.68 -1.12 114.58 121.92 3h3x h GLU 516 Ca 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3h3x h GLU 516 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3h3x h GLU 516 CO -0.02 0.13 0.05 1.49 -1.00 0.00 0.00 179.01 179.66 3h3x h GLU 517 N -0.15 0.11 -0.08 2.33 4.57 -0.60 -2.93 114.58 117.83 3h3x h GLU 517 Ca -0.00 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3h3x h GLU 517 Cb 0.15 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3h3x h GLU 517 CO 0.00 0.08 0.08 0.00 -1.18 0.00 0.00 179.01 177.99 3h3x h ALA 518 N 1.08 1.73 0.00 2.92 0.00 -0.33 -1.61 119.26 123.05 3h3x h ALA 518 Ca 0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3h3x h ALA 518 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3h3x h ALA 518 CO -0.05 -0.12 -0.49 -0.07 0.00 0.00 0.00 179.25 178.52 3h3x h LEU 519 N 0.00 0.00 -9.58 0.00 3.38 -1.01 -3.30 115.31 104.79 3h3x h LEU 519 Ca 0.04 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.48 3h3x h LEU 519 Cb 0.20 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.00 3h3x h LEU 519 CO -0.00 0.49 1.05 -0.63 0.09 0.00 0.00 178.44 179.44 3h3x s ILE 520 N -3.36 2.31 0.00 1.22 -1.09 -0.61 -1.63 121.20 118.05 3h3x s ILE 520 Ca 0.01 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.49 3h3x s ILE 520 Cb 0.10 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 3h3x s ILE 520 CO 0.72 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3h3x n GLY 521 N 4.09 1.38 3.68 6.18 0.00 0.07 -4.74 105.19 115.84 3h3x n GLY 521 Ca 0.17 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.67 3h3x n GLY 521 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h3x n THR 522 N -2.00 0.40 -2.56 2.61 -1.04 -0.64 -4.63 114.28 106.42 3h3x n THR 522 Ca 0.00 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.57 3h3x n THR 522 Cb 0.00 -1.56 -0.04 0.00 -1.82 0.00 0.00 70.33 66.91 3h3x n THR 522 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h3x s PRO 523 N 3.38 4.21 -0.28 -2.82 0.04 -1.26 -0.92 135.00 137.36 3h3x s PRO 523 Ca 0.93 1.50 0.01 0.00 0.04 0.00 0.00 61.00 63.48 3h3x s PRO 523 Cb -0.83 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 31.21 3h3x s PRO 523 CO 0.55 -0.10 -0.00 0.42 0.04 0.00 0.00 177.00 177.91 3h3x s ILE 524 N -1.65 1.65 0.19 0.56 -1.09 0.36 -4.69 121.20 116.52 3h3x s ILE 524 Ca 0.57 -1.58 -0.10 0.00 -2.23 0.00 0.00 60.65 57.31 3h3x s ILE 524 Cb -0.22 -2.04 0.11 0.00 -1.58 0.00 0.00 42.46 38.74 3h3x s ILE 524 CO 0.27 -0.33 1.75 0.00 -1.23 0.00 0.00 174.94 175.40 3h3x h ALA 525 N 7.88 0.89 -2.77 9.38 0.00 -1.86 0.26 119.26 133.04 3h3x h ALA 525 Ca -0.14 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.14 3h3x h ALA 525 Cb 1.05 -0.27 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 3h3x h ALA 525 CO 0.45 0.51 -0.73 0.34 0.00 0.00 0.00 179.25 179.83 3h3x s ASP 526 N -6.21 2.56 0.52 0.00 -1.08 -1.26 -3.80 116.67 107.40 3h3x s ASP 526 Ca -0.13 -0.82 0.27 0.00 -0.52 0.00 0.00 52.55 51.36 3h3x s ASP 526 Cb 0.14 -0.10 1.41 0.00 -1.46 0.00 0.00 42.92 42.91 3h3x s ASP 526 CO 0.81 -0.38 2.05 1.55 0.52 0.00 0.00 175.17 179.72 3h3x h PRO 527 N 8.38 0.00 -0.39 4.34 0.13 -2.00 -1.91 132.00 140.55 3h3x h PRO 527 Ca -0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3h3x h PRO 527 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3h3x h PRO 527 CO 0.35 0.13 0.23 -0.22 -0.23 0.00 0.00 178.00 178.25 3h3x h LYS 528 N 0.00 0.52 -2.08 0.86 1.63 -2.00 -3.36 116.57 112.14 3h3x h LYS 528 Ca -0.00 -0.04 -0.57 0.00 -0.85 0.00 0.00 60.65 59.19 3h3x h LYS 528 Cb 0.37 -0.11 -0.40 0.00 -0.60 0.00 0.00 32.23 31.49 3h3x h LYS 528 CO 0.02 0.37 -0.97 0.54 -3.45 0.00 0.00 179.45 175.96 3h3x n ARG 529 N -4.45 1.14 -1.52 1.90 1.74 -0.73 -5.04 116.66 109.70 3h3x n ARG 529 Ca 0.03 -3.59 -0.40 0.00 -0.77 0.00 0.00 57.85 53.12 3h3x n ARG 529 Cb 0.08 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 3h3x n ARG 529 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3h3x n PRO 530 N 1.34 3.47 -0.13 5.56 -0.04 -1.12 -4.64 135.00 139.43 3h3x n PRO 530 Ca 0.24 -2.45 0.19 0.00 -0.04 0.00 0.00 63.50 61.44 3h3x n PRO 530 Cb 0.50 -2.96 0.59 0.00 -0.04 0.00 0.00 33.50 31.58 3h3x n PRO 530 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3h3x h VAL 531 N 3.34 0.73 -0.58 0.52 3.04 -1.96 -1.92 116.25 119.42 3h3x h VAL 531 Ca 0.75 -0.08 -0.02 0.00 -1.01 0.00 0.00 66.70 66.33 3h3x h VAL 531 Cb 0.41 0.46 -0.03 0.00 -2.01 0.00 0.00 31.29 30.13 3h3x h VAL 531 CO 1.80 0.04 0.26 -0.33 -1.01 0.00 0.00 177.57 178.34 3h3x h GLU 532 N 0.25 0.83 -0.63 4.17 3.07 -1.84 0.62 114.58 121.05 3h3x h GLU 532 Ca 0.36 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.15 3h3x h GLU 532 Cb 1.04 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 3h3x h GLU 532 CO -0.08 0.66 0.36 0.82 -1.40 0.00 0.00 179.01 179.37 3h3x h ILE 533 N 0.83 1.01 -0.78 3.13 2.04 -1.65 -2.58 117.51 119.50 3h3x h ILE 533 Ca 0.20 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3h3x h ILE 533 Cb 0.11 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 3h3x h ILE 533 CO -0.02 0.13 0.31 -0.07 0.00 0.00 0.00 178.15 178.49 3h3x h LEU 534 N 0.69 1.07 -0.32 1.44 3.38 -0.99 -1.69 115.31 118.89 3h3x h LEU 534 Ca 0.27 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3h3x h LEU 534 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3h3x h LEU 534 CO -0.15 0.95 0.13 0.03 0.09 0.00 0.00 178.44 179.50 3h3x h ARG 535 N 1.13 0.28 -0.03 1.13 3.08 -0.70 0.18 114.38 119.45 3h3x h ARG 535 Ca 0.26 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3h3x h ARG 535 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3h3x h ARG 535 CO -0.02 0.19 -0.08 1.15 -1.07 0.00 0.00 179.97 180.13 3h3x h THR 536 N 0.29 1.47 0.23 2.04 2.02 -1.40 -1.59 112.91 115.97 3h3x h THR 536 Ca 0.14 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 3h3x h THR 536 Cb 0.08 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3h3x h THR 536 CO -0.12 0.40 -0.17 0.58 0.37 0.00 0.00 175.52 176.59 3h3x h VAL 537 N -0.46 0.64 -0.91 3.16 2.07 -1.24 -2.54 116.25 116.98 3h3x h VAL 537 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3h3x h VAL 537 Cb 0.70 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3h3x h VAL 537 CO 0.02 0.00 0.58 0.45 0.02 0.00 0.00 177.57 178.64 3h3x h HIS 538 N -0.40 0.93 -0.69 1.57 -0.00 -1.04 -1.83 115.15 113.68 3h3x h HIS 538 Ca -0.02 0.03 0.18 0.00 -0.00 0.00 0.00 60.37 60.56 3h3x h HIS 538 Cb 0.35 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 3h3x h HIS 538 CO -0.11 0.38 0.49 0.00 -0.00 0.00 0.00 177.93 178.69 3h3x h ALA 539 N 1.57 2.51 0.00 2.45 0.00 -0.84 0.67 119.26 125.62 3h3x h ALA 539 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3h3x h ALA 539 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3h3x h ALA 539 CO -0.21 -0.71 0.00 1.19 0.00 0.00 0.00 179.25 179.53 3h3x n PHE 540 N -4.38 0.00 -3.48 0.00 3.72 -0.69 -4.67 117.46 107.96 3h3x n PHE 540 Ca 0.14 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.30 3h3x n PHE 540 Cb 0.69 -0.48 0.06 0.00 -0.94 0.00 0.00 39.48 38.81 3h3x n PHE 540 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3h3x n ASP 541 N -1.48 -5.89 -4.77 4.37 2.03 0.23 -4.91 116.55 106.14 3h3x n ASP 541 Ca 0.06 -0.88 -0.39 0.00 0.52 0.00 0.00 54.79 54.11 3h3x n ASP 541 Cb 0.28 -4.23 -0.01 0.00 -0.72 0.00 0.00 41.12 36.44 3h3x n ASP 541 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3h3x s PRO 542 N -5.26 4.09 -0.26 -0.67 0.02 -1.26 -4.96 135.00 126.70 3h3x s PRO 542 Ca 0.46 2.06 -0.04 0.00 0.02 0.00 0.00 61.00 63.50 3h3x s PRO 542 Cb -0.12 -2.81 0.09 0.00 0.02 0.00 0.00 34.50 31.68 3h3x s PRO 542 CO 0.81 -0.36 0.12 0.00 -0.33 0.00 0.00 177.00 177.24 3h3x h ILE 544 N 6.41 1.39 -0.56 0.00 1.08 -0.94 -1.06 117.51 123.83 3h3x h ILE 544 Ca -0.19 -3.03 -0.01 0.00 -0.39 0.00 0.00 64.86 61.24 3h3x h ILE 544 Cb 1.05 2.84 -0.03 0.00 -3.07 0.00 0.00 36.82 37.61 3h3x h ILE 544 CO 0.40 0.86 0.30 0.00 -0.69 0.00 0.00 178.15 179.02 3h3x h ALA 545 N 0.66 0.72 -0.18 1.87 0.00 -1.83 -0.99 119.26 119.50 3h3x h ALA 545 Ca -0.15 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3h3x h ALA 545 Cb 1.95 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 3h3x h ALA 545 CO 0.17 0.25 -0.23 0.00 0.00 0.00 0.00 179.25 179.43 3h3x h GLY 547 N -0.27 0.98 0.40 0.00 0.00 -0.75 -3.29 103.07 100.15 3h3x h GLY 547 Ca 0.12 -0.64 -0.37 0.00 0.00 0.00 0.00 47.33 46.44 3h3x h GLY 547 CO -0.34 0.60 -2.16 -0.62 0.00 0.00 0.00 176.54 174.02 3h3x n VAL 548 N -4.22 1.66 0.00 4.60 0.31 -0.42 -4.44 118.33 115.82 3h3x n VAL 548 Ca 0.03 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3h3x n VAL 548 Cb 0.29 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3h3x n VAL 548 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51