#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 2.65 0.36 0.52 2.01 -1.26 -4.94 115.64 114.98 3h3x s THR 7 Ca 0.00 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 3h3x s THR 7 Cb 0.00 -3.02 -0.11 0.00 0.01 0.00 0.00 72.50 69.38 3h3x s THR 7 CO 0.00 -0.00 1.48 -2.84 -0.69 0.00 0.00 174.62 172.57 3h3x s PRO 8 N 3.21 4.13 -0.28 4.92 0.02 -1.26 -4.99 135.00 140.74 3h3x s PRO 8 Ca 0.83 2.55 -0.10 0.00 0.02 0.00 0.00 61.00 64.30 3h3x s PRO 8 Cb -0.45 -2.98 0.12 0.00 0.02 0.00 0.00 34.50 31.21 3h3x s PRO 8 CO 0.38 -0.52 0.61 -1.14 -0.33 0.00 0.00 177.00 176.00 3h3x s GLN 9 N -1.90 0.55 0.21 5.54 0.74 -1.26 -4.01 119.66 119.52 3h3x s GLN 9 Ca 0.54 1.38 -0.04 0.00 0.05 0.00 0.00 55.36 57.28 3h3x s GLN 9 Cb -0.46 0.75 0.05 0.00 1.10 0.00 0.00 33.01 34.44 3h3x s GLN 9 CO 0.61 -0.20 0.27 -1.13 -0.55 0.00 0.00 175.29 174.29 3h3x n SER 10 N 5.37 -0.14 -0.78 6.67 3.41 0.40 -4.89 113.62 123.65 3h3x n SER 10 Ca -0.12 -1.04 0.07 0.00 -0.26 0.00 0.00 58.87 57.52 3h3x n SER 10 Cb 0.50 -0.21 0.21 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.47 1.64 -1.73 6.66 -2.24 -1.26 -3.16 114.28 111.72 3h3x n THR 11 Ca 0.03 -1.43 -0.42 0.00 -2.27 0.00 0.00 64.05 59.96 3h3x n THR 11 Cb 0.12 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.03 2.63 -3.95 4.78 7.35 -1.26 -4.04 117.46 123.00 3h3x n PHE 12 Ca 0.16 0.36 -0.29 0.00 -0.76 0.00 0.00 57.45 56.93 3h3x n PHE 12 Cb 0.66 -2.53 -0.17 0.00 0.35 0.00 0.00 39.48 37.79 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 -0.31 1.30 -5.00 -2.13 2.01 -1.26 -0.45 115.64 109.80 3h3x s THR 13 Ca 0.62 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3h3x s THR 13 Cb -0.54 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 70.65 3h3x s THR 13 CO 0.53 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 3h3x n GLY 14 N 4.84 -2.26 3.81 4.40 0.00 0.23 -4.98 105.19 111.24 3h3x n GLY 14 Ca -0.14 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.99 4.30 -0.04 1.61 0.04 -1.26 -0.50 135.00 137.16 3h3x s PRO 15 Ca 0.00 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.21 3h3x s PRO 15 Cb 0.00 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.24 3h3x s PRO 15 CO 0.00 0.04 -0.07 0.42 0.04 0.00 0.00 177.00 177.43 3h3x s ILE 16 N -2.06 0.69 -0.12 0.56 1.01 -0.63 -4.93 121.20 115.73 3h3x s ILE 16 Ca 0.59 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.02 3h3x s ILE 16 Cb -0.11 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3h3x s ILE 16 CO 0.15 0.25 -0.17 -0.69 0.00 0.00 0.00 174.94 174.49 3h3x s VAL 17 N 0.73 2.71 -0.25 2.92 1.01 -1.26 -1.32 120.40 124.94 3h3x s VAL 17 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3h3x s VAL 17 Cb -0.14 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.19 3h3x s VAL 17 CO 0.01 0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 3h3x s VAL 18 N 0.30 2.12 -0.27 2.92 1.01 -0.17 -4.99 120.40 121.31 3h3x s VAL 18 Ca -0.13 -1.55 -0.03 0.00 0.00 0.00 0.00 61.98 60.26 3h3x s VAL 18 Cb -0.16 -2.21 0.15 0.00 0.00 0.00 0.00 36.38 34.16 3h3x s VAL 18 CO 0.07 0.01 0.51 -0.62 0.00 0.00 0.00 175.10 175.07 3h3x s ASP 19 N 1.14 -0.71 0.48 3.32 2.15 -1.26 -1.40 116.67 120.39 3h3x s ASP 19 Ca -0.08 0.79 -0.19 0.00 0.43 0.00 0.00 52.55 53.50 3h3x s ASP 19 Cb -0.19 1.76 -0.09 0.00 -0.30 0.00 0.00 42.92 44.09 3h3x s ASP 19 CO -0.06 -0.26 0.98 -2.16 -0.17 0.00 0.00 175.17 173.50 3h3x s PRO 20 N 2.74 4.01 -0.41 4.34 0.04 -1.26 -5.09 135.00 139.37 3h3x s PRO 20 Ca 0.12 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.98 3h3x s PRO 20 Cb -0.14 -2.14 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3h3x s PRO 20 CO -0.18 -0.22 0.98 0.42 0.04 0.00 0.00 177.00 178.04 3h3x s ILE 21 N -2.35 4.47 0.82 0.56 -1.09 -0.89 -5.03 121.20 117.68 3h3x s ILE 21 Ca 0.61 1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 60.08 3h3x s ILE 21 Cb -0.11 -4.43 0.15 0.00 -1.58 0.00 0.00 42.46 36.50 3h3x s ILE 21 CO 0.22 -0.71 1.13 0.42 -1.23 0.00 0.00 174.94 174.77 3h3x s THR 22 N 3.77 2.10 -1.45 2.92 -4.23 -1.26 -4.47 115.64 113.03 3h3x s THR 22 Ca 0.41 -0.31 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 3h3x s THR 22 Cb -0.10 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.00 3h3x s THR 22 CO 0.23 0.00 0.89 0.54 -0.54 0.00 0.00 174.62 175.74 3h3x n ARG 23 N -3.22 -5.42 -4.19 3.99 1.74 -1.26 -4.99 116.66 103.31 3h3x n ARG 23 Ca 0.14 0.61 -0.12 0.00 -0.77 0.00 0.00 57.85 57.71 3h3x n ARG 23 Cb 0.60 -5.39 -0.10 0.00 -1.02 0.00 0.00 32.46 26.55 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 -3.44 0.00 -0.13 0.55 -4.36 -1.26 -4.77 121.20 107.79 3h3x s ILE 24 Ca 0.43 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.61 3h3x s ILE 24 Cb -0.21 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 3h3x s ILE 24 CO 0.82 0.00 0.83 -0.70 0.24 0.00 0.00 174.94 176.13 3h3x s GLU 25 N -4.10 4.35 0.37 0.37 -6.30 -0.90 -4.98 118.70 107.50 3h3x s GLU 25 Ca 0.38 1.05 0.00 0.00 -2.50 0.00 0.00 54.97 53.90 3h3x s GLU 25 Cb 0.06 -3.54 0.00 0.00 0.00 0.00 0.00 34.13 30.65 3h3x s GLU 25 CO 0.13 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.59 3h3x n GLY 26 N 3.33 -1.80 3.07 -1.50 0.00 -1.26 -0.74 105.19 106.29 3h3x n GLY 26 Ca 0.04 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 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 3.37 -0.02 1.61 3.76 -1.26 -4.85 115.29 117.90 3h3x s HIS 27 Ca 0.00 -2.41 0.04 0.00 -0.15 0.00 0.00 55.06 52.54 3h3x s HIS 27 Cb 0.00 -2.16 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 3h3x s HIS 27 CO 0.00 -0.89 -0.14 -1.17 -0.85 0.00 0.00 174.74 171.69 3h3x s LEU 28 N 1.08 1.94 -0.08 0.89 2.96 -1.26 -0.33 118.68 123.88 3h3x s LEU 28 Ca -0.05 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.64 3h3x s LEU 28 Cb -0.20 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 3h3x s LEU 28 CO -0.05 0.15 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.29 3h3x s ARG 29 N -0.12 2.81 -0.11 1.98 3.52 0.59 -2.09 118.95 125.54 3h3x s ARG 29 Ca 0.01 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 54.77 3h3x s ARG 29 Cb -0.08 -2.26 -0.01 0.00 -1.56 0.00 0.00 34.95 31.04 3h3x s ARG 29 CO 0.00 0.30 -0.19 0.42 -0.81 0.00 0.00 175.30 175.02 3h3x s ILE 30 N 0.05 2.48 -0.06 4.11 -1.09 -0.49 -0.64 121.20 125.56 3h3x s ILE 30 Ca -0.10 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.51 3h3x s ILE 30 Cb -0.15 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.72 3h3x s ILE 30 CO 0.06 0.55 -0.24 -0.04 -1.23 0.00 0.00 174.94 174.03 3h3x s MET 31 N 0.31 2.58 0.05 2.79 -1.94 -0.67 -1.00 119.30 121.42 3h3x s MET 31 Ca -0.15 -0.89 0.03 0.00 -1.71 0.00 0.00 55.69 52.98 3h3x s MET 31 Cb -0.17 -2.19 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 3h3x s MET 31 CO 0.07 0.39 -0.10 0.14 -0.01 0.00 0.00 175.02 175.52 3h3x s VAL 32 N -0.18 0.70 -0.18 -6.03 -7.23 -0.44 -0.64 120.40 106.40 3h3x s VAL 32 Ca -0.03 -1.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 3h3x s VAL 32 Cb -0.14 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 3h3x s VAL 32 CO 0.04 -0.32 0.12 -1.61 -0.31 0.00 0.00 175.10 173.01 3h3x s GLU 33 N -1.59 4.01 -0.05 4.82 0.41 -0.26 -1.60 118.70 124.43 3h3x s GLU 33 Ca -0.07 -0.22 0.04 0.00 -0.41 0.00 0.00 54.97 54.30 3h3x s GLU 33 Cb -0.10 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.88 3h3x s GLU 33 CO 0.01 0.40 -0.15 0.08 -0.49 0.00 0.00 175.26 175.10 3h3x s VAL 34 N 0.07 2.98 -0.06 2.63 1.01 0.35 -0.53 120.40 126.85 3h3x s VAL 34 Ca 0.09 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3h3x s VAL 34 Cb -0.11 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3h3x s VAL 34 CO -0.01 0.58 -0.05 -1.61 0.00 0.00 0.00 175.10 174.02 3h3x s GLU 35 N -0.62 0.93 -1.30 2.72 2.02 0.01 -0.60 118.70 121.87 3h3x s GLU 35 Ca 0.09 -0.11 -0.24 0.00 0.02 0.00 0.00 54.97 54.73 3h3x s GLU 35 Cb -0.11 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.17 3h3x s GLU 35 CO 0.01 -0.13 0.52 0.09 0.02 0.00 0.00 175.26 175.77 3h3x n ASN 36 N 4.31 -2.86 0.00 -0.19 3.02 -0.45 -1.95 115.26 117.15 3h3x n ASN 36 Ca -0.20 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.09 3h3x n ASN 36 Cb 0.51 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.80 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 -2.17 0.54 3.29 7.41 0.00 0.41 -4.70 105.19 109.97 3h3x n GLY 37 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.48 1.59 -0.02 1.61 1.02 -0.82 0.27 119.74 122.91 3h3x s LYS 38 Ca 0.00 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 3h3x s LYS 38 Cb 0.00 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 3h3x s LYS 38 CO 0.00 0.44 1.29 0.08 -0.92 0.00 0.00 175.35 176.25 3h3x s VAL 39 N -0.78 3.98 -0.02 3.17 1.01 -0.02 -0.81 120.40 126.93 3h3x s VAL 39 Ca 0.09 1.34 0.15 0.00 0.00 0.00 0.00 61.98 63.57 3h3x s VAL 39 Cb -0.09 -3.86 -0.23 0.00 0.00 0.00 0.00 36.38 32.19 3h3x s VAL 39 CO 0.02 0.01 0.33 2.29 0.00 0.00 0.00 175.10 177.75 3h3x n LYS 40 N 5.15 0.47 -3.50 2.72 2.85 0.31 -1.08 118.16 125.08 3h3x n LYS 40 Ca 0.12 -0.14 -0.12 0.00 -1.05 0.00 0.00 58.31 57.12 3h3x n LYS 40 Cb 0.45 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.44 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 -3.75 -0.47 0.01 -5.58 -1.08 -1.14 -4.97 116.67 99.70 3h3x s ASP 41 Ca -0.06 -0.02 -0.22 0.00 -0.52 0.00 0.00 52.55 51.73 3h3x s ASP 41 Cb 0.10 0.55 0.05 0.00 -1.46 0.00 0.00 42.92 42.15 3h3x s ASP 41 CO 0.63 -0.88 0.50 0.00 0.52 0.00 0.00 175.17 175.93 3h3x s ALA 42 N -3.44 -1.27 -0.04 3.66 0.00 -1.26 -1.11 121.76 118.31 3h3x s ALA 42 Ca -0.00 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 3h3x s ALA 42 Cb -0.00 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3h3x s ALA 42 CO -0.10 -0.41 0.08 -1.58 0.00 0.00 0.00 175.76 173.75 3h3x s TRP 43 N -1.89 -0.07 -0.31 0.00 0.51 0.18 -4.92 118.94 112.43 3h3x s TRP 43 Ca -0.08 0.28 -0.07 0.00 -2.12 0.00 0.00 56.10 54.11 3h3x s TRP 43 Cb -0.01 -0.12 0.02 0.00 -0.81 0.00 0.00 33.47 32.54 3h3x s TRP 43 CO 0.02 -0.11 0.09 0.45 -0.51 0.00 0.00 176.95 176.90 3h3x s SER 44 N 0.90 5.21 -0.29 2.95 0.15 -1.26 -1.66 113.70 119.70 3h3x s SER 44 Ca -0.07 -0.88 0.03 0.00 0.70 0.00 0.00 55.95 55.73 3h3x s SER 44 Cb -0.10 -1.88 0.08 0.00 -1.71 0.00 0.00 66.02 62.41 3h3x s SER 44 CO -0.04 -0.25 -0.04 -0.55 1.20 0.00 0.00 173.24 173.56 3h3x s SER 45 N 1.46 4.57 0.03 5.45 0.15 0.18 -4.45 113.70 121.11 3h3x s SER 45 Ca 0.01 -1.71 -0.30 0.00 0.70 0.00 0.00 55.95 54.65 3h3x s SER 45 Cb -0.18 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 3h3x s SER 45 CO 0.03 -0.27 1.02 -0.44 1.20 0.00 0.00 173.24 174.78 3h3x s SER 46 N 1.02 7.34 0.00 5.45 0.01 -1.26 -0.30 113.70 125.96 3h3x s SER 46 Ca -0.01 1.76 0.13 0.00 1.31 0.00 0.00 55.95 59.14 3h3x s SER 46 Cb -0.20 -2.58 0.23 0.00 0.21 0.00 0.00 66.02 63.69 3h3x s SER 46 CO -0.06 -0.26 1.10 0.00 0.41 0.00 0.00 173.24 174.42 3h3x n GLN 47 N 3.67 1.82 -4.12 12.44 1.13 0.55 -2.67 117.38 130.19 3h3x n GLN 47 Ca 0.06 -1.70 -0.17 0.00 -1.94 0.00 0.00 57.00 53.25 3h3x n GLN 47 Cb 0.50 -1.28 -0.15 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.04 1.73 -0.08 1.08 2.96 -1.26 -5.03 118.68 117.04 3h3x s LEU 48 Ca 0.21 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 3h3x s LEU 48 Cb 0.12 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.52 3h3x s LEU 48 CO 0.17 0.01 -0.19 0.12 -1.32 0.00 0.00 176.35 175.14 3h3x s PHE 49 N 0.28 2.10 -0.11 5.38 5.36 -1.26 -4.86 117.98 124.87 3h3x s PHE 49 Ca -0.03 -0.83 -0.04 0.00 -0.96 0.00 0.00 56.93 55.07 3h3x s PHE 49 Cb -0.07 -1.44 -0.05 0.00 -0.34 0.00 0.00 43.02 41.12 3h3x s PHE 49 CO -0.00 -0.35 -0.13 0.54 -1.46 0.00 0.00 175.22 173.81 3h3x n ARG 50 N 3.62 0.24 -1.07 10.12 1.74 -1.26 -5.09 116.66 124.95 3h3x n ARG 50 Ca -0.21 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 3h3x n ARG 50 Cb 0.52 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 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 2.48 0.65 0.29 -0.13 0.00 -0.87 -4.98 105.19 102.62 3h3x n GLY 51 Ca -0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 0.64 -0.72 0.99 3.38 -1.13 -1.73 115.31 116.75 3h3x h LEU 52 Ca 0.00 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3h3x h LEU 52 Cb 0.49 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3h3x h LEU 52 CO 0.00 0.65 0.47 -0.33 0.09 0.00 0.00 178.44 179.31 3h3x h GLU 53 N 0.67 0.91 -0.10 1.13 5.08 -1.83 -0.74 114.58 119.70 3h3x h GLU 53 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3h3x h GLU 53 Cb 0.27 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3h3x h GLU 53 CO -0.00 0.60 0.03 0.82 -1.00 0.00 0.00 179.01 179.46 3h3x h ILE 54 N 0.94 1.19 -0.75 3.13 2.04 -1.78 -3.17 117.51 119.10 3h3x h ILE 54 Ca 0.27 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3h3x h ILE 54 Cb -0.07 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3h3x h ILE 54 CO -0.07 0.17 0.49 0.40 0.00 0.00 0.00 178.15 179.14 3h3x h ILE 55 N -0.03 0.98 0.00 -0.67 2.04 -0.96 -2.63 117.51 116.24 3h3x h ILE 55 Ca 0.03 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3h3x h ILE 55 Cb 0.23 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3h3x h ILE 55 CO -0.00 0.13 -0.28 -0.07 0.00 0.00 0.00 178.15 177.93 3h3x h LEU 56 N 0.73 0.00 -9.33 1.44 3.38 -1.11 -3.45 115.31 106.96 3h3x h LEU 56 Ca 0.34 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.66 3h3x h LEU 56 Cb 0.36 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.16 3h3x h LEU 56 CO -0.12 0.28 0.71 1.17 0.09 0.00 0.00 178.44 180.57 3h3x n LYS 57 N -3.89 1.61 -0.29 1.13 4.81 -0.99 -1.48 118.16 119.06 3h3x n LYS 57 Ca -0.02 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3h3x n LYS 57 Cb 0.36 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.11 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 3.28 1.45 3.97 3.14 0.00 0.47 -4.99 105.19 112.51 3h3x n GLY 58 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.35 1.71 -0.09 1.61 0.52 -0.55 -4.59 118.95 117.21 3h3x s ARG 59 Ca 0.00 -0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 3h3x s ARG 59 Cb 0.00 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 3h3x s ARG 59 CO 0.00 -1.49 1.33 0.34 0.02 0.00 0.00 175.30 175.50 3h3x s ASP 60 N -4.68 6.91 0.56 0.23 -1.08 -1.26 -1.27 116.67 116.07 3h3x s ASP 60 Ca 0.65 1.89 0.30 0.00 -0.52 0.00 0.00 52.55 54.87 3h3x s ASP 60 Cb -0.07 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.31 3h3x s ASP 60 CO 0.45 -0.73 1.89 -0.65 0.52 0.00 0.00 175.17 176.65 3h3x h PRO 61 N 8.13 0.00 -0.01 4.34 0.11 -1.92 0.13 132.00 142.78 3h3x h PRO 61 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3h3x h PRO 61 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h3x h PRO 61 CO 0.93 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.65 3h3x h ARG 62 N 0.00 0.02 0.00 1.05 3.08 -1.95 -2.81 114.38 113.76 3h3x h ARG 62 Ca 0.35 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 3h3x h ARG 62 Cb 1.51 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 3h3x h ARG 62 CO -0.00 0.09 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.41 3h3x h ASP 63 N 0.02 0.00 -0.74 7.04 3.32 -1.12 -3.38 116.42 121.56 3h3x h ASP 63 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3h3x h ASP 63 Cb 0.13 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.57 3h3x h ASP 63 CO 0.01 0.13 -0.48 0.00 -1.72 0.00 0.00 179.24 177.18 3h3x h ALA 64 N 1.87 -0.34 -0.81 3.45 0.00 -1.53 -0.81 119.26 121.09 3h3x h ALA 64 Ca -0.00 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.23 3h3x h ALA 64 Cb 0.94 1.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 3h3x h ALA 64 CO 0.02 -0.85 0.55 -0.56 0.00 0.00 0.00 179.25 178.41 3h3x h GLN 65 N -0.15 0.30 -0.08 0.00 3.07 -1.80 0.31 115.11 116.75 3h3x h GLN 65 Ca 0.19 -0.02 -0.20 0.00 0.09 0.00 0.00 58.65 58.71 3h3x h GLN 65 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3h3x h GLN 65 CO -0.79 0.20 -0.79 0.45 0.09 0.00 0.00 178.83 177.98 3h3x h HIS 66 N 0.30 0.70 -0.10 0.06 3.86 -1.42 -1.82 115.15 116.74 3h3x h HIS 66 Ca 0.41 -0.32 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 3h3x h HIS 66 Cb 1.12 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 3h3x h HIS 66 CO -0.00 1.11 -0.15 0.74 0.86 0.00 0.00 177.93 180.49 3h3x h PHE 67 N 0.34 0.34 0.00 2.45 -1.00 -1.00 -3.35 116.94 114.72 3h3x h PHE 67 Ca -0.05 -0.11 -0.12 0.00 2.81 0.00 0.00 57.97 60.50 3h3x h PHE 67 Cb 1.39 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.87 3h3x h PHE 67 CO 0.06 0.74 -0.55 1.79 -1.61 0.00 0.00 178.31 178.74 3h3x h THR 68 N -0.16 1.29 -0.92 -1.55 1.35 -0.49 -1.61 112.91 110.82 3h3x h THR 68 Ca 0.01 -1.95 0.17 0.00 -0.55 0.00 0.00 66.41 64.09 3h3x h THR 68 Cb 0.71 2.08 -0.08 0.00 -1.73 0.00 0.00 68.15 69.14 3h3x h THR 68 CO 0.03 0.54 0.59 -0.61 -0.25 0.00 0.00 175.52 175.82 3h3x h GLN 69 N 0.00 0.61 0.00 4.72 4.15 -1.46 -0.02 115.11 123.10 3h3x h GLN 69 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3h3x h GLN 69 Cb 1.04 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.59 3h3x h GLN 69 CO 0.07 0.40 0.00 0.54 -1.93 0.00 0.00 178.83 177.91 3h3x n ARG 70 N -4.58 0.65 0.07 1.69 3.00 -0.60 -2.79 116.66 114.09 3h3x n ARG 70 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 58.08 3h3x n ARG 70 Cb 0.55 -1.47 0.47 0.00 0.00 0.00 0.00 32.46 32.01 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 3.23 1.76 -2.26 7.54 0.00 -1.08 -3.44 119.26 125.01 3h3x h ALA 71 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3h3x h ALA 71 Cb 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.45 3h3x h ALA 71 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3h3x n GLY 73 N 2.75 -0.05 0.07 0.00 0.00 -1.26 -3.73 105.19 102.96 3h3x n GLY 73 Ca -0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 2.38 0.00 -2.19 1.61 4.05 -1.95 -3.31 114.93 115.52 3h3x h MET 74 Ca 0.00 0.00 -0.41 0.00 -0.28 0.00 0.00 59.70 59.01 3h3x h MET 74 Cb 0.55 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 31.25 3h3x h MET 74 CO 0.00 0.31 0.70 0.00 0.23 0.00 0.00 176.91 178.15 3h3x n THR 76 N 1.99 0.00 0.00 0.00 5.66 -1.24 -3.30 114.28 117.38 3h3x n THR 76 Ca 0.52 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.29 3h3x n THR 76 Cb 0.64 -0.68 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 -4.04 0.00 -0.18 1.09 9.36 -1.26 -4.72 117.16 117.41 3h3x n TYR 77 Ca 0.05 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.45 3h3x n TYR 77 Cb 0.56 0.00 0.54 0.00 -0.63 0.00 0.00 39.34 39.81 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 0.73 0.06 2.97 -1.51 -1.93 0.25 116.25 116.82 3h3x h VAL 78 Ca 0.00 -0.12 -0.24 0.00 -1.23 0.00 0.00 66.70 65.11 3h3x h VAL 78 Cb 0.00 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.51 3h3x h VAL 78 CO 0.00 0.06 -1.07 0.45 -1.23 0.00 0.00 177.57 175.79 3h3x h HIS 79 N 0.35 0.44 -0.50 5.19 3.86 -1.85 -0.58 115.15 122.05 3h3x h HIS 79 Ca 0.40 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3h3x h HIS 79 Cb 1.03 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 3h3x h HIS 79 CO -0.00 1.16 0.29 0.00 0.86 0.00 0.00 177.93 180.24 3h3x h ALA 80 N 0.74 0.64 -0.13 2.45 0.00 -0.79 -1.12 119.26 121.05 3h3x h ALA 80 Ca -0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h3x h ALA 80 Cb 1.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3h3x h ALA 80 CO 0.17 0.15 0.07 1.25 0.00 0.00 0.00 179.25 180.89 3h3x h LEU 81 N 0.67 0.11 -1.02 0.00 5.85 -0.99 -1.28 115.31 118.64 3h3x h LEU 81 Ca 0.18 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3h3x h LEU 81 Cb 0.02 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3h3x h LEU 81 CO -0.03 0.08 0.34 0.00 -0.34 0.00 0.00 178.44 178.49 3h3x h ALA 82 N 1.07 1.23 -0.18 1.25 0.00 -0.89 -1.42 119.26 120.33 3h3x h ALA 82 Ca 0.05 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3h3x h ALA 82 Cb 0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3h3x h ALA 82 CO -0.03 0.58 -0.60 0.77 0.00 0.00 0.00 179.25 179.97 3h3x h SER 83 N 1.02 0.69 -0.20 0.00 0.02 -1.11 -1.12 113.55 112.85 3h3x h SER 83 Ca 0.25 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 3h3x h SER 83 Cb 0.12 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3h3x h SER 83 CO -0.03 1.13 0.03 0.28 -1.14 0.00 0.00 176.83 177.11 3h3x h SER 84 N 0.46 0.31 -0.55 3.07 0.02 -0.74 0.40 113.55 116.53 3h3x h SER 84 Ca -0.00 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 3h3x h SER 84 Cb 1.17 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 3h3x h SER 84 CO 0.12 0.49 0.24 0.03 -1.14 0.00 0.00 176.83 176.57 3h3x h ARG 85 N 0.12 0.44 0.06 3.45 3.08 -1.28 0.16 114.38 120.42 3h3x h ARG 85 Ca 0.06 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3h3x h ARG 85 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3h3x h ARG 85 CO 0.00 0.29 -0.12 0.00 -1.07 0.00 0.00 179.97 179.08 3h3x h VAL 87 N -0.23 1.33 -0.51 0.00 2.07 -0.73 -0.56 116.25 117.62 3h3x h VAL 87 Ca 0.02 -1.95 0.09 0.00 0.82 0.00 0.00 66.70 65.69 3h3x h VAL 87 Cb 0.25 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 3h3x h VAL 87 CO -0.08 0.60 0.05 0.44 0.02 0.00 0.00 177.57 178.61 3h3x h ASP 88 N 0.41 -0.10 -0.55 0.57 3.32 -0.49 -0.67 116.42 118.90 3h3x h ASP 88 Ca -0.02 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3h3x h ASP 88 Cb 1.23 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.93 3h3x h ASP 88 CO 0.12 -0.02 0.27 -0.78 -1.72 0.00 0.00 179.24 177.11 3h3x h ASP 89 N 0.18 0.72 -0.31 6.45 3.58 -0.27 -0.78 116.42 125.99 3h3x h ASP 89 Ca 0.26 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3h3x h ASP 89 Cb 0.37 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3h3x h ASP 89 CO -0.38 0.65 0.12 0.00 -2.88 0.00 0.00 179.24 176.75 3h3x h ALA 90 N 1.11 1.51 -0.05 -0.78 0.00 -0.60 -2.16 119.26 118.28 3h3x h ALA 90 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 90 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h3x h ALA 90 CO -0.02 0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.93 3h3x n VAL 91 N -4.36 0.04 -3.47 0.00 0.24 -0.30 -4.58 118.33 105.90 3h3x n VAL 91 Ca 0.02 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.34 61.68 3h3x n VAL 91 Cb 0.16 1.16 0.08 0.00 -1.47 0.00 0.00 33.84 33.78 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 1.01 -7.07 -4.19 7.34 4.76 -0.39 -4.69 118.16 114.93 3h3x n LYS 92 Ca 0.16 0.80 -0.36 0.00 -2.87 0.00 0.00 58.31 56.04 3h3x n LYS 92 Cb 0.53 -5.73 -0.08 0.00 -1.84 0.00 0.00 35.03 27.90 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 -3.32 4.73 -0.30 -0.18 0.11 -0.62 -5.04 120.40 115.77 3h3x s VAL 93 Ca 0.31 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 3h3x s VAL 93 Cb -0.14 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.66 3h3x s VAL 93 CO 0.70 0.60 0.18 -0.55 -3.33 0.00 0.00 175.10 172.70 3h3x s SER 94 N -0.80 5.83 0.54 3.54 0.15 -1.26 -4.64 113.70 117.06 3h3x s SER 94 Ca 0.13 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.33 3h3x s SER 94 Cb -0.12 -2.08 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 3h3x s SER 94 CO 0.03 -0.12 1.18 0.27 1.20 0.00 0.00 173.24 175.79 3h3x s ILE 95 N 1.71 2.92 0.58 6.45 -4.36 -1.26 -4.78 121.20 122.45 3h3x s ILE 95 Ca 0.06 0.61 -0.20 0.00 -0.26 0.00 0.00 60.65 60.86 3h3x s ILE 95 Cb -0.16 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 3h3x s ILE 95 CO 0.09 -0.09 1.28 -2.84 0.24 0.00 0.00 174.94 173.62 3h3x s PRO 96 N -3.13 2.96 0.28 0.37 0.02 -1.26 -4.78 135.00 129.47 3h3x s PRO 96 Ca 0.72 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3h3x s PRO 96 Cb -0.28 -2.05 0.66 0.00 0.02 0.00 0.00 34.50 32.85 3h3x s PRO 96 CO 0.32 -1.27 1.63 0.00 -0.33 0.00 0.00 177.00 177.35 3h3x h ALA 97 N 1.07 1.15 -0.91 -1.55 0.00 -1.94 0.17 119.26 117.25 3h3x h ALA 97 Ca -0.51 0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3h3x h ALA 97 Cb 1.31 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 3h3x h ALA 97 CO 0.56 -0.48 0.59 -0.91 0.00 0.00 0.00 179.25 179.01 3h3x h ASN 98 N 0.14 1.05 -0.52 0.00 2.35 -1.92 -0.77 115.58 115.91 3h3x h ASN 98 Ca 0.53 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 56.17 3h3x h ASN 98 Cb 1.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 3h3x h ASN 98 CO -0.71 0.77 0.01 0.00 -1.65 0.00 0.00 177.43 175.85 3h3x h ALA 99 N 1.42 0.69 -0.09 -0.83 0.00 -1.24 -1.44 119.26 117.77 3h3x h ALA 99 Ca 0.33 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3h3x h ALA 99 Cb -0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3h3x h ALA 99 CO -0.07 0.50 -0.17 -0.09 0.00 0.00 0.00 179.25 179.42 3h3x h ARG 100 N 0.77 -0.22 -0.54 0.00 2.43 -0.73 -0.11 114.38 115.98 3h3x h ARG 100 Ca 0.15 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3h3x h ARG 100 Cb 0.51 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 3h3x h ARG 100 CO 0.02 -0.15 0.34 0.52 -1.51 0.00 0.00 179.97 179.19 3h3x h MET 101 N -0.23 0.73 -0.40 0.20 2.86 -1.10 -1.18 114.93 115.81 3h3x h MET 101 Ca 0.08 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3h3x h MET 101 Cb 0.35 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3h3x h MET 101 CO -0.23 0.52 0.02 1.98 1.06 0.00 0.00 176.91 180.26 3h3x h MET 102 N 0.73 0.69 -0.48 1.72 1.85 -1.15 -0.88 114.93 117.41 3h3x h MET 102 Ca 0.20 -0.21 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 3h3x h MET 102 Cb -0.03 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 31.91 3h3x h MET 102 CO -0.04 0.77 0.32 0.00 -0.40 0.00 0.00 176.91 177.56 3h3x h ARG 103 N 0.53 0.64 -0.47 0.39 3.08 -0.82 -2.36 114.38 115.37 3h3x h ARG 103 Ca 0.12 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3h3x h ARG 103 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3h3x h ARG 103 CO 0.02 0.42 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.37 3h3x h ASN 104 N 0.65 0.79 -0.66 7.04 2.35 -1.09 -2.58 115.58 122.09 3h3x h ASN 104 Ca 0.18 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3h3x h ASN 104 Cb -0.07 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 3h3x h ASN 104 CO -0.04 0.89 0.19 -0.07 -1.65 0.00 0.00 177.43 176.75 3h3x h LEU 105 N 0.74 1.00 -0.74 1.61 3.38 -0.96 -1.56 115.31 118.78 3h3x h LEU 105 Ca 0.13 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3h3x h LEU 105 Cb 0.53 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h3x h LEU 105 CO 0.03 0.94 -0.12 0.58 0.09 0.00 0.00 178.44 179.97 3h3x h VAL 106 N 1.02 1.26 -0.30 1.22 2.07 -1.33 0.04 116.25 120.23 3h3x h VAL 106 Ca 0.22 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.57 3h3x h VAL 106 Cb 0.32 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3h3x h VAL 106 CO -0.00 0.42 0.05 -0.03 0.02 0.00 0.00 177.57 178.02 3h3x h MET 107 N 0.75 0.15 -0.54 1.57 1.85 -1.23 -0.38 114.93 117.10 3h3x h MET 107 Ca 0.12 -0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.26 3h3x h MET 107 Cb 0.62 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.57 3h3x h MET 107 CO 0.04 0.10 0.26 0.00 -0.40 0.00 0.00 176.91 176.91 3h3x h ALA 108 N 1.23 0.69 -0.99 0.39 0.00 -0.70 0.08 119.26 119.96 3h3x h ALA 108 Ca 0.14 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3h3x h ALA 108 Cb 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3h3x h ALA 108 CO -0.19 -0.10 0.65 0.77 0.00 0.00 0.00 179.25 180.38 3h3x h SER 109 N 0.49 1.13 -0.50 0.00 0.02 -0.84 -2.50 113.55 111.35 3h3x h SER 109 Ca 0.25 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3h3x h SER 109 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3h3x h SER 109 CO -0.19 0.82 0.09 -0.61 -1.14 0.00 0.00 176.83 175.80 3h3x h GLN 110 N 1.34 0.82 -0.29 3.45 5.75 0.12 -1.42 115.11 124.87 3h3x h GLN 110 Ca 0.36 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 3h3x h GLN 110 Cb -0.16 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.24 3h3x h GLN 110 CO -0.08 0.81 -0.08 1.88 -2.65 0.00 0.00 178.83 178.72 3h3x h TYR 111 N 0.70 -0.17 -0.43 3.99 -1.99 -0.80 0.61 116.97 118.89 3h3x h TYR 111 Ca 0.15 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 3h3x h TYR 111 Cb 0.39 0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 3h3x h TYR 111 CO 0.03 -0.13 0.24 -0.07 -0.00 0.00 0.00 178.16 178.22 3h3x h LEU 112 N -0.01 0.53 -0.32 3.88 3.38 -1.21 -0.67 115.31 120.90 3h3x h LEU 112 Ca 0.14 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3h3x h LEU 112 Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3h3x h LEU 112 CO -0.30 0.47 0.08 -0.74 0.09 0.00 0.00 178.44 178.03 3h3x h HIS 113 N 0.56 0.54 0.23 1.13 2.76 -1.05 -2.94 115.15 116.39 3h3x h HIS 113 Ca 0.15 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3h3x h HIS 113 Cb 0.05 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.86 3h3x h HIS 113 CO -0.02 0.57 -0.11 0.22 -1.30 0.00 0.00 177.93 177.28 3h3x h ASP 114 N 0.36 -0.26 -0.92 3.26 1.82 -0.48 -2.37 116.42 117.84 3h3x h ASP 114 Ca 0.10 -0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.56 3h3x h ASP 114 Cb 0.30 0.07 -0.06 0.00 0.68 0.00 0.00 39.33 40.32 3h3x h ASP 114 CO 0.00 0.13 0.60 0.45 -1.61 0.00 0.00 179.24 178.81 3h3x h HIS 115 N -0.70 1.08 0.47 0.28 3.86 -1.25 0.28 115.15 119.17 3h3x h HIS 115 Ca -0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3h3x h HIS 115 Cb 0.48 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3h3x h HIS 115 CO 0.04 0.58 -0.23 -0.07 0.86 0.00 0.00 177.93 179.11 3h3x h LEU 116 N 1.08 -0.54 -1.15 2.43 3.38 -1.44 -1.97 115.31 117.09 3h3x h LEU 116 Ca 0.38 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.37 3h3x h LEU 116 Cb 0.14 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3h3x h LEU 116 CO -0.14 -0.35 0.58 0.58 0.09 0.00 0.00 178.44 179.20 3h3x h VAL 117 N -0.69 1.19 0.09 1.22 2.07 -1.13 -2.53 116.25 116.47 3h3x h VAL 117 Ca -0.07 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3h3x h VAL 117 Cb 0.51 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3h3x h VAL 117 CO 0.11 0.21 -0.04 -0.74 0.02 0.00 0.00 177.57 177.12 3h3x h HIS 118 N 1.14 -0.11 0.57 1.57 -0.00 -0.80 0.81 115.15 118.33 3h3x h HIS 118 Ca 0.33 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.68 3h3x h HIS 118 Cb -0.07 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3h3x h HIS 118 CO -0.00 0.13 -0.34 0.35 -0.00 0.00 0.00 177.93 178.07 3h3x h PHE 119 N -0.36 -0.90 -0.00 5.26 3.57 -1.20 0.34 116.94 123.65 3h3x h PHE 119 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3h3x h PHE 119 Cb 0.30 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.36 3h3x h PHE 119 CO 0.00 -0.52 -0.00 1.88 -2.23 0.00 0.00 178.31 177.44 3h3x h TYR 120 N -0.86 0.00 0.00 0.41 0.05 -1.49 0.23 116.97 115.32 3h3x h TYR 120 Ca -0.07 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3h3x h TYR 120 Cb 0.70 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.44 3h3x h TYR 120 CO -0.09 0.53 -1.43 0.72 -1.05 0.00 0.00 178.16 176.83 3h3x n HIS 121 N -4.84 0.13 -0.05 4.88 8.25 0.27 -3.80 115.22 120.06 3h3x n HIS 121 Ca -0.09 0.04 -0.08 0.00 -0.26 0.00 0.00 57.72 57.34 3h3x n HIS 121 Cb 0.27 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.01 2.29 -0.04 2.41 4.77 -0.87 -4.87 117.00 118.68 3h3x n LEU 122 Ca -0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 3h3x n LEU 122 Cb 0.47 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 3h3x n LEU 122 CO 0.43 0.52 -0.93 1.57 -1.33 0.00 0.00 177.39 177.65 3h3x n HIS 123 N -2.97 0.77 0.10 -1.77 -0.00 0.12 -4.59 115.22 106.88 3h3x n HIS 123 Ca -0.17 0.19 0.03 0.00 0.46 0.00 0.00 57.72 58.23 3h3x n HIS 123 Cb 0.66 -1.11 0.41 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.32 1.57 0.00 1.57 0.00 -0.64 -1.22 119.26 120.85 3h3x h ALA 124 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3h3x h ALA 124 Cb 2.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.71 3h3x h ALA 124 CO 0.04 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3h3x n LEU 125 N -4.33 0.07 0.17 0.00 4.77 -1.26 -0.48 117.00 115.94 3h3x n LEU 125 Ca 0.00 0.52 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 3h3x n LEU 125 Cb 0.21 -0.52 0.34 0.00 -2.33 0.00 0.00 43.42 41.12 3h3x n LEU 125 CO 0.37 -0.40 0.86 0.44 -1.33 0.00 0.00 177.39 177.33 3h3x h ASP 126 N 0.00 0.00 0.00 -1.43 3.32 -1.51 -3.37 116.42 113.43 3h3x h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h3x h ASP 126 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3h3x h ASP 126 CO 0.00 0.00 -0.96 0.79 -1.72 0.00 0.00 179.24 177.35 3h3x n TRP 127 N -2.67 0.00 -4.27 4.55 7.02 0.35 -4.93 117.44 117.49 3h3x n TRP 127 Ca 0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.18 3h3x n TRP 127 Cb 0.44 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.21 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 -1.94 3.76 -0.71 -0.99 1.01 0.37 -4.59 120.40 117.32 3h3x s VAL 128 Ca 0.00 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 3h3x s VAL 128 Cb 0.00 -2.67 0.12 0.00 0.00 0.00 0.00 36.38 33.83 3h3x s VAL 128 CO 0.00 0.47 0.84 -0.62 0.00 0.00 0.00 175.10 175.79 3h3x s ASP 129 N 0.71 6.36 0.40 3.32 -1.08 -1.26 -4.61 116.67 120.51 3h3x s ASP 129 Ca -0.02 -1.69 0.11 0.00 -0.52 0.00 0.00 52.55 50.44 3h3x s ASP 129 Cb -0.14 -2.33 0.93 0.00 -1.46 0.00 0.00 42.92 39.92 3h3x s ASP 129 CO 0.02 -1.07 1.95 0.58 0.52 0.00 0.00 175.17 177.17 3h3x h VAL 130 N 5.76 0.90 0.00 1.11 2.07 -1.94 -0.78 116.25 123.37 3h3x h VAL 130 Ca -0.14 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3h3x h VAL 130 Cb 1.06 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3h3x h VAL 130 CO 1.07 0.10 -0.13 0.71 0.02 0.00 0.00 177.57 179.34 3h3x h THR 131 N 0.54 0.00 0.00 2.57 1.35 -1.93 -2.79 112.91 112.65 3h3x h THR 131 Ca 0.33 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3h3x h THR 131 Cb 0.56 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3h3x h THR 131 CO -0.11 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.16 3h3x h ALA 132 N 2.04 1.00 0.00 6.62 0.00 -1.52 -2.79 119.26 124.61 3h3x h ALA 132 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3h3x h ALA 132 Cb 0.98 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3h3x h ALA 132 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.10 3h3x h ALA 133 N 2.10 1.09 0.00 0.00 0.00 -1.42 -2.34 119.26 118.69 3h3x h ALA 133 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h3x h ALA 133 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h3x h ALA 133 CO 0.00 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.72 3h3x n LEU 134 N -3.41 0.59 0.03 0.00 4.77 -1.05 -2.45 117.00 115.48 3h3x n LEU 134 Ca -0.01 0.65 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 3h3x n LEU 134 Cb 0.34 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 3h3x n LEU 134 CO 0.31 -0.53 0.13 0.29 -1.33 0.00 0.00 177.39 176.26 3h3x n LYS 135 N -2.16 0.25 -1.40 3.23 5.02 -0.88 -5.00 118.16 117.23 3h3x n LYS 135 Ca 0.02 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 3h3x n LYS 135 Cb 0.22 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.17 2.23 -0.27 7.82 0.00 -1.03 -5.00 121.76 122.36 3h3x s ALA 136 Ca 0.05 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 3h3x s ALA 136 Cb 0.14 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 3h3x s ALA 136 CO 0.77 -1.71 0.66 0.34 0.00 0.00 0.00 175.76 175.82 3h3x s ASP 137 N -2.86 6.59 0.57 0.00 -1.08 -1.26 -4.97 116.67 113.66 3h3x s ASP 137 Ca 0.65 0.68 0.28 0.00 -0.52 0.00 0.00 52.55 53.64 3h3x s ASP 137 Cb -0.20 -2.35 1.68 0.00 -1.46 0.00 0.00 42.92 40.58 3h3x s ASP 137 CO 0.50 -0.42 2.20 -0.65 0.52 0.00 0.00 175.17 177.31 3h3x h PRO 138 N 7.95 0.00 0.19 4.34 0.11 -1.95 0.11 132.00 142.75 3h3x h PRO 138 Ca -0.26 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.57 3h3x h PRO 138 Cb 1.12 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.25 3h3x h PRO 138 CO 0.79 0.04 -1.28 -0.91 -0.21 0.00 0.00 178.00 176.44 3h3x h ASN 139 N 0.00 0.62 0.07 -2.05 4.21 -1.93 -1.35 115.58 115.16 3h3x h ASN 139 Ca -0.00 -0.93 -0.00 0.00 1.21 0.00 0.00 56.30 56.58 3h3x h ASN 139 Cb 0.09 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.09 3h3x h ASN 139 CO 0.00 1.60 -0.04 0.50 -1.29 0.00 0.00 177.43 178.21 3h3x h LYS 140 N -0.11 -0.10 -1.00 0.81 3.64 -1.86 -0.78 116.57 117.18 3h3x h LYS 140 Ca -0.24 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.39 3h3x h LYS 140 Cb 1.92 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 33.64 3h3x h LYS 140 CO 0.19 0.09 0.59 0.00 -2.27 0.00 0.00 179.45 178.04 3h3x h ALA 141 N 0.65 1.76 -0.15 5.00 0.00 -0.90 -0.76 119.26 124.86 3h3x h ALA 141 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3h3x h ALA 141 Cb 0.23 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3h3x h ALA 141 CO 0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 179.25 178.99 3h3x h ALA 142 N 1.72 0.20 0.01 0.00 0.00 -0.64 -2.46 119.26 118.10 3h3x h ALA 142 Ca 0.63 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3h3x h ALA 142 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3h3x h ALA 142 CO -0.47 -0.05 -0.14 0.87 0.00 0.00 0.00 179.25 179.47 3h3x h LYS 143 N -0.01 -0.23 -0.44 0.00 1.57 -0.33 -1.71 116.57 115.43 3h3x h LYS 143 Ca 0.04 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3h3x h LYS 143 Cb 0.45 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 3h3x h LYS 143 CO 0.01 -0.15 -0.18 1.25 -0.57 0.00 0.00 179.45 179.81 3h3x h LEU 144 N -0.23 -0.64 -1.43 2.94 5.85 -1.11 -0.84 115.31 119.84 3h3x h LEU 144 Ca 0.04 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3h3x h LEU 144 Cb 0.29 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3h3x h LEU 144 CO -0.12 -0.22 0.01 0.00 -0.34 0.00 0.00 178.44 177.77 3h3x h ALA 145 N 1.24 1.54 0.00 1.25 0.00 -1.19 -1.95 119.26 120.15 3h3x h ALA 145 Ca 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 145 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h3x h ALA 145 CO -0.50 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.09 3h3x n ALA 146 N -2.49 2.42 0.00 0.00 0.00 -0.33 -2.94 120.51 117.17 3h3x n ALA 146 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3h3x n ALA 146 Cb 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3h3x n ALA 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h3x n SER 147 N -0.14 1.50 -0.97 0.00 3.41 -0.77 -4.83 113.62 111.81 3h3x n SER 147 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 3h3x n SER 147 Cb 0.16 0.26 0.25 0.00 -0.26 0.00 0.00 64.21 64.62 3h3x n SER 147 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3h3x n ILE 148 N -0.59 1.90 -3.58 -1.33 -5.35 -0.95 -4.99 119.36 104.47 3h3x n ILE 148 Ca 0.00 -1.51 -0.09 0.00 -0.27 0.00 0.00 62.75 60.87 3h3x n ILE 148 Cb 0.04 0.01 -0.05 0.00 -1.74 0.00 0.00 39.64 37.90 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 -2.18 -1.95 -0.20 -1.28 0.00 -1.15 -4.71 121.76 110.28 3h3x s ALA 149 Ca 0.39 1.59 -0.40 0.00 0.00 0.00 0.00 51.96 53.54 3h3x s ALA 149 Cb 0.28 -0.73 -0.17 0.00 0.00 0.00 0.00 23.12 22.51 3h3x s ALA 149 CO 0.13 -0.33 1.60 -2.30 0.00 0.00 0.00 175.76 174.87 3h3x n PRO 150 N 0.63 0.98 -1.52 0.00 -0.01 -1.26 -4.69 135.00 129.13 3h3x n PRO 150 Ca -0.09 0.36 -0.46 0.00 -0.01 0.00 0.00 63.50 63.30 3h3x n PRO 150 Cb 0.58 -2.01 -0.02 0.00 -0.01 0.00 0.00 33.50 32.05 3h3x n PRO 150 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3h3x n ALA 151 N 4.39 -1.28 -3.48 3.55 0.00 -1.26 -4.97 120.51 117.46 3h3x n ALA 151 Ca 0.25 0.41 -0.17 0.00 0.00 0.00 0.00 53.44 53.93 3h3x n ALA 151 Cb 0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 3h3x n ALA 151 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3h3x s ARG 152 N -1.31 0.95 0.46 0.00 1.70 -1.26 -5.05 118.95 114.44 3h3x s ARG 152 Ca 0.61 0.29 0.24 0.00 -0.47 0.00 0.00 55.73 56.40 3h3x s ARG 152 Cb -0.80 0.45 1.09 0.00 -0.57 0.00 0.00 34.95 35.12 3h3x s ARG 152 CO 0.58 -0.27 1.91 -1.00 -1.08 0.00 0.00 175.30 175.44 3h3x h PRO 153 N 3.46 0.00 0.00 3.89 0.13 -2.00 -1.82 132.00 135.66 3h3x h PRO 153 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h3x h PRO 153 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h3x h PRO 153 CO 0.35 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 3h3x n GLY 154 N -0.19 -1.11 0.83 1.56 0.00 -1.26 -2.21 105.19 102.81 3h3x n GLY 154 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.13 3h3x n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3x n ASN 155 N -1.96 3.17 -4.74 1.61 3.02 -0.69 -4.47 115.26 111.20 3h3x n ASN 155 Ca 0.02 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.24 3h3x n ASN 155 Cb 0.18 -0.29 0.06 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.01 4.75 0.23 6.41 1.04 -0.94 -4.47 113.70 119.72 3h3x s SER 156 Ca 0.30 2.34 -0.06 0.00 0.48 0.00 0.00 55.95 59.00 3h3x s SER 156 Cb 0.16 -2.59 0.36 0.00 0.10 0.00 0.00 66.02 64.05 3h3x s SER 156 CO 0.21 -1.89 1.77 0.00 0.98 0.00 0.00 173.24 174.31 3h3x h ALA 157 N 0.29 0.99 -0.43 5.32 0.00 -1.91 0.14 119.26 123.66 3h3x h ALA 157 Ca -0.49 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3h3x h ALA 157 Cb 1.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3h3x h ALA 157 CO 0.53 -0.09 0.27 -0.22 0.00 0.00 0.00 179.25 179.74 3h3x h LYS 158 N 0.56 0.54 -0.06 0.00 3.64 -1.92 0.34 116.57 119.67 3h3x h LYS 158 Ca 0.36 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3h3x h LYS 158 Cb 0.43 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3h3x h LYS 158 CO -0.30 0.36 0.03 0.00 -2.27 0.00 0.00 179.45 177.27 3h3x h ALA 159 N 1.17 0.07 -0.38 5.00 0.00 -1.62 -2.37 119.26 121.12 3h3x h ALA 159 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3h3x h ALA 159 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h3x h ALA 159 CO -0.05 -0.37 0.04 -0.07 0.00 0.00 0.00 179.25 178.80 3h3x h LEU 160 N -0.03 0.54 -0.65 0.00 3.38 -0.61 -2.52 115.31 115.43 3h3x h LEU 160 Ca 0.02 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3h3x h LEU 160 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3h3x h LEU 160 CO -0.00 0.58 -0.05 0.50 0.09 0.00 0.00 178.44 179.56 3h3x h LYS 161 N 0.56 1.01 -0.76 1.13 3.64 -0.83 -0.98 116.57 120.34 3h3x h LYS 161 Ca 0.12 -0.34 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3h3x h LYS 161 Cb 0.29 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3h3x h LYS 161 CO 0.00 1.02 0.37 0.00 -2.27 0.00 0.00 179.45 178.58 3h3x h ALA 162 N 1.02 0.98 -0.29 5.00 0.00 -1.02 0.16 119.26 125.12 3h3x h ALA 162 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h3x h ALA 162 Cb 0.59 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h3x h ALA 162 CO 0.04 0.54 0.17 0.28 0.00 0.00 0.00 179.25 180.28 3h3x h VAL 163 N 1.07 1.11 -0.15 0.00 2.07 -1.22 -1.16 116.25 117.97 3h3x h VAL 163 Ca 0.26 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3h3x h VAL 163 Cb 0.11 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3h3x h VAL 163 CO -0.03 0.11 0.09 -0.61 0.02 0.00 0.00 177.57 177.14 3h3x h GLN 164 N 0.36 0.20 -0.52 1.57 4.15 -0.87 -0.12 115.11 119.88 3h3x h GLN 164 Ca 0.10 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.54 3h3x h GLN 164 Cb 0.03 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3h3x h GLN 164 CO -0.02 0.18 0.29 -0.44 -1.93 0.00 0.00 178.83 176.92 3h3x h ASP 165 N 0.17 0.45 -0.81 -0.69 3.32 -0.66 0.96 116.42 119.16 3h3x h ASP 165 Ca 0.05 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 3h3x h ASP 165 Cb 0.03 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3h3x h ASP 165 CO -0.01 0.31 0.45 0.50 -1.72 0.00 0.00 179.24 178.78 3h3x h LYS 166 N 0.57 1.12 -0.31 3.56 3.64 -0.78 -1.27 116.57 123.10 3h3x h LYS 166 Ca 0.22 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3h3x h LYS 166 Cb 0.07 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3h3x h LYS 166 CO -0.12 0.82 -0.30 1.25 -2.27 0.00 0.00 179.45 178.83 3h3x h LEU 167 N 1.12 0.68 -0.19 5.20 5.85 -0.77 -2.49 115.31 124.71 3h3x h LEU 167 Ca 0.29 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 167 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3h3x h LEU 167 CO -0.05 0.94 0.00 0.50 -0.34 0.00 0.00 178.44 179.49 3h3x h LYS 168 N 0.56 0.34 -0.57 1.25 3.64 -0.26 -0.80 116.57 120.72 3h3x h LYS 168 Ca 0.07 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3h3x h LYS 168 Cb 0.80 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 3h3x h LYS 168 CO 0.07 0.54 0.13 0.00 -2.27 0.00 0.00 179.45 177.92 3h3x h ALA 169 N 0.79 0.67 -0.21 5.00 0.00 -1.24 -0.31 119.26 123.96 3h3x h ALA 169 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h3x h ALA 169 Cb 0.39 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h3x h ALA 169 CO 0.01 -0.29 0.11 0.35 0.00 0.00 0.00 179.25 179.42 3h3x h PHE 170 N 0.27 0.29 -0.21 0.00 3.57 -1.20 -2.02 116.94 117.65 3h3x h PHE 170 Ca 0.29 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.59 3h3x h PHE 170 Cb 0.42 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3h3x h PHE 170 CO -0.23 0.29 -0.63 0.28 -2.23 0.00 0.00 178.31 175.78 3h3x h VAL 171 N 0.22 1.30 0.00 1.41 2.07 -0.84 -2.80 116.25 117.60 3h3x h VAL 171 Ca 0.07 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3h3x h VAL 171 Cb 0.10 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3h3x h VAL 171 CO -0.01 0.59 0.00 -0.62 0.02 0.00 0.00 177.57 177.55 3h3x n GLU 172 N -3.96 0.16 0.17 1.57 1.02 -0.15 -2.98 120.64 116.47 3h3x n GLU 172 Ca -0.05 0.31 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 3h3x n GLU 172 Cb 0.67 -1.76 0.63 0.00 -0.02 0.00 0.00 31.44 30.95 3h3x n GLU 172 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h3x h SER 173 N 0.00 0.06 0.00 1.62 4.64 -1.08 -3.46 113.55 115.33 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 0.45 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3h3x h SER 173 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3h3x n GLY 174 N -1.55 1.62 3.22 -0.77 0.00 -1.16 -5.01 105.19 101.53 3h3x n GLY 174 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.48 2.80 0.00 1.61 -0.21 -1.26 -4.93 119.66 117.19 3h3x s GLN 175 Ca 0.00 -2.13 0.25 0.00 0.02 0.00 0.00 55.36 53.50 3h3x s GLN 175 Cb 0.00 -4.02 1.16 0.00 1.00 0.00 0.00 33.01 31.15 3h3x s GLN 175 CO 0.00 -1.22 1.81 1.28 -2.12 0.00 0.00 175.29 175.04 3h3x n LEU 176 N 4.33 0.00 0.00 2.90 4.77 -1.26 -4.85 117.00 122.89 3h3x n LEU 176 Ca 0.01 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3h3x n LEU 176 Cb 0.41 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3h3x n LEU 176 CO 0.39 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3h3x n GLY 177 N 0.91 3.17 0.08 -0.72 0.00 -1.26 -0.67 105.19 106.70 3h3x n GLY 177 Ca 0.09 0.26 0.09 0.00 0.00 0.00 0.00 46.02 46.46 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 1.06 1.07 -0.61 -5.35 -1.26 -1.98 119.36 112.28 3h3x n ILE 178 Ca 0.00 0.34 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 3h3x n ILE 178 Cb 0.00 -1.23 0.18 0.00 -1.74 0.00 0.00 39.64 36.86 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 -1.91 0.02 -1.67 4.28 3.72 0.16 -4.89 117.46 117.18 3h3x n PHE 179 Ca 0.02 -0.01 -0.49 0.00 -0.05 0.00 0.00 57.45 56.91 3h3x n PHE 179 Cb 0.16 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 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 1.14 0.28 -1.65 4.37 -1.04 -0.84 -1.97 114.28 114.56 3h3x n THR 180 Ca 0.15 -0.05 -0.20 0.00 -2.04 0.00 0.00 64.05 61.91 3h3x n THR 180 Cb 0.55 -1.53 -0.08 0.00 -1.82 0.00 0.00 70.33 67.46 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 4.88 -5.40 -4.73 8.00 3.02 -1.26 -4.96 115.26 114.81 3h3x n ASN 181 Ca 0.21 0.43 -0.42 0.00 -0.03 0.00 0.00 54.58 54.77 3h3x n ASN 181 Cb 0.25 -4.61 -0.01 0.00 -0.61 0.00 0.00 39.78 34.81 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 1.02 1.87 0.32 5.41 0.00 -0.83 -4.83 120.51 123.46 3h3x n ALA 182 Ca -0.20 0.36 0.16 0.00 0.00 0.00 0.00 53.44 53.76 3h3x n ALA 182 Cb 0.65 -2.35 0.81 0.00 0.00 0.00 0.00 19.45 18.56 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 3.33 0.00 -0.01 0.00 -1.99 -1.93 -1.19 116.97 115.18 3h3x h TYR 183 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3h3x h TYR 183 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3h3x h TYR 183 CO 0.54 0.00 -0.40 1.97 -0.00 0.00 0.00 178.16 180.27 3h3x n PHE 184 N -2.94 0.00 -1.79 4.88 1.16 -1.26 -4.83 117.46 112.69 3h3x n PHE 184 Ca -0.01 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.15 3h3x n PHE 184 Cb 0.40 -0.06 -0.03 0.00 -1.61 0.00 0.00 39.48 38.18 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 -2.53 4.40 0.00 5.98 1.43 -0.45 -1.64 118.68 125.87 3h3x s LEU 185 Ca 0.21 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3h3x s LEU 185 Cb 0.19 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3h3x s LEU 185 CO 0.56 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.75 3h3x n GLY 186 N 4.39 0.75 0.00 -3.19 0.00 -1.26 -4.92 105.19 100.97 3h3x n GLY 186 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.23 1.75 3.15 -0.02 0.00 -0.65 -5.10 105.19 102.09 3h3x n GLY 187 Ca 0.00 -1.82 0.05 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.79 -0.91 0.27 1.61 5.04 -1.26 -4.85 115.29 112.40 3h3x s HIS 188 Ca 0.00 0.86 0.17 0.00 -1.54 0.00 0.00 55.06 54.55 3h3x s HIS 188 Cb 0.00 0.28 0.96 0.00 0.04 0.00 0.00 32.58 33.86 3h3x s HIS 188 CO 0.00 -0.50 1.08 1.63 -2.34 0.00 0.00 174.74 174.61 3h3x n LYS 189 N 5.41 -0.04 0.00 2.88 5.02 -1.26 0.43 118.16 130.61 3h3x n LYS 189 Ca -0.02 0.92 0.14 0.00 -2.02 0.00 0.00 58.31 57.33 3h3x n LYS 189 Cb 0.54 -1.70 0.70 0.00 -0.02 0.00 0.00 35.03 34.54 3h3x n LYS 189 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3x n ALA 190 N -2.51 2.45 -2.54 7.82 0.00 -1.26 -4.67 120.51 119.80 3h3x n ALA 190 Ca 0.27 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.16 3h3x n ALA 190 Cb 0.94 -1.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.73 3.21 -0.14 0.00 2.02 0.17 -4.98 117.35 114.91 3h3x s TYR 191 Ca 0.23 -0.04 0.19 0.00 -0.37 0.00 0.00 57.07 57.08 3h3x s TYR 191 Cb 0.20 -2.67 -0.25 0.00 -0.40 0.00 0.00 41.96 38.84 3h3x s TYR 191 CO 0.49 -0.43 0.33 0.66 -1.57 0.00 0.00 175.55 175.03 3h3x n TYR 192 N 5.38 0.21 -1.85 2.71 4.01 -1.26 -4.85 117.16 121.51 3h3x n TYR 192 Ca -0.09 0.07 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3h3x n TYR 192 Cb 0.49 -0.89 -0.01 0.00 -0.31 0.00 0.00 39.34 38.62 3h3x n TYR 192 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3h3x s LEU 193 N -5.32 4.35 0.57 7.72 1.43 -1.26 -4.99 118.68 121.19 3h3x s LEU 193 Ca -0.08 2.92 -0.19 0.00 -1.03 0.00 0.00 54.13 55.75 3h3x s LEU 193 Cb 0.09 -3.64 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 3h3x s LEU 193 CO 0.85 -0.84 0.83 -2.65 0.23 0.00 0.00 176.35 174.77 3h3x n PRO 194 N 1.56 0.82 -0.27 1.29 -0.02 -1.26 -4.84 135.00 132.27 3h3x n PRO 194 Ca 0.05 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 62.00 3h3x n PRO 194 Cb 0.39 -2.01 0.44 0.00 -0.02 0.00 0.00 33.50 32.30 3h3x n PRO 194 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3h3x h PRO 195 N 0.52 0.54 -0.54 0.52 0.13 -1.94 -1.44 132.00 129.79 3h3x h PRO 195 Ca -0.47 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 3h3x h PRO 195 Cb 1.37 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3h3x h PRO 195 CO 0.50 0.36 -0.00 0.93 -0.23 0.00 0.00 178.00 179.56 3h3x h GLU 196 N 0.56 0.96 -0.36 0.86 3.07 -1.89 -0.89 114.58 116.88 3h3x h GLU 196 Ca 0.49 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 3h3x h GLU 196 Cb 0.99 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 3h3x h GLU 196 CO -0.22 0.97 -0.12 0.28 -1.40 0.00 0.00 179.01 178.52 3h3x h VAL 197 N 0.83 1.24 -0.79 3.13 2.07 -1.65 -1.81 116.25 119.27 3h3x h VAL 197 Ca 0.15 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.59 3h3x h VAL 197 Cb 0.54 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3h3x h VAL 197 CO 0.03 0.36 0.52 0.44 0.02 0.00 0.00 177.57 178.95 3h3x h ASP 198 N 0.57 0.90 -0.18 0.57 3.32 -0.94 -0.93 116.42 119.73 3h3x h ASP 198 Ca 0.10 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 3h3x h ASP 198 Cb 0.54 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3h3x h ASP 198 CO 0.03 0.64 -0.02 0.25 -1.72 0.00 0.00 179.24 178.42 3h3x h LEU 199 N 1.06 0.34 -0.30 1.55 5.85 -0.88 -0.91 115.31 122.01 3h3x h LEU 199 Ca 0.30 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.72 3h3x h LEU 199 Cb -0.10 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3h3x h LEU 199 CO -0.07 0.60 0.02 0.40 -0.34 0.00 0.00 178.44 179.05 3h3x h ILE 200 N 0.07 0.81 -0.68 4.05 2.04 -1.21 -1.59 117.51 121.00 3h3x h ILE 200 Ca 0.05 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3h3x h ILE 200 Cb 0.44 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 3h3x h ILE 200 CO 0.01 0.02 0.32 0.00 0.00 0.00 0.00 178.15 178.51 3h3x h ALA 201 N 1.25 0.88 -0.24 1.87 0.00 -1.07 -2.18 119.26 119.77 3h3x h ALA 201 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h3x h ALA 201 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3h3x h ALA 201 CO -0.22 0.45 0.08 1.15 0.00 0.00 0.00 179.25 180.71 3h3x h THR 202 N 0.95 1.19 -0.79 0.00 2.02 -1.07 0.19 112.91 115.40 3h3x h THR 202 Ca 0.23 -0.61 0.12 0.00 0.77 0.00 0.00 66.41 66.93 3h3x h THR 202 Cb 0.13 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 3h3x h THR 202 CO -0.03 0.20 0.40 0.00 0.37 0.00 0.00 175.52 176.46 3h3x h ALA 203 N 0.91 1.15 -0.09 6.16 0.00 -1.19 -1.41 119.26 124.78 3h3x h ALA 203 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3h3x h ALA 203 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h3x h ALA 203 CO -0.00 -0.06 -0.45 0.45 0.00 0.00 0.00 179.25 179.19 3h3x h HIS 204 N 0.63 0.27 -0.22 0.00 3.86 -1.12 -1.81 115.15 116.75 3h3x h HIS 204 Ca 0.41 -0.08 0.02 0.00 -1.16 0.00 0.00 60.37 59.56 3h3x h HIS 204 Cb 0.51 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 3h3x h HIS 204 CO -0.10 0.64 0.09 -0.92 0.86 0.00 0.00 177.93 178.50 3h3x h TYR 205 N 0.18 0.16 -0.24 2.45 5.03 0.04 0.36 116.97 124.96 3h3x h TYR 205 Ca 0.01 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 3h3x h TYR 205 Cb 0.87 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 3h3x h TYR 205 CO 0.01 0.08 0.08 -0.07 -1.32 0.00 0.00 178.16 176.95 3h3x h LEU 206 N 0.20 0.34 -0.38 2.82 3.38 -1.09 -2.64 115.31 117.94 3h3x h LEU 206 Ca 0.09 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3h3x h LEU 206 Cb 0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3h3x h LEU 206 CO -0.09 0.45 0.03 -0.33 0.09 0.00 0.00 178.44 178.59 3h3x h GLU 207 N 0.22 0.13 -0.80 1.13 5.08 -1.20 -2.62 114.58 116.52 3h3x h GLU 207 Ca 0.08 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.61 3h3x h GLU 207 Cb 0.23 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3h3x h GLU 207 CO -0.00 0.09 0.54 0.00 -1.00 0.00 0.00 179.01 178.64 3h3x h ALA 208 N 1.31 2.27 -0.85 3.43 0.00 -0.13 0.10 119.26 125.40 3h3x h ALA 208 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h3x h ALA 208 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3h3x h ALA 208 CO -0.28 -0.51 0.48 -0.07 0.00 0.00 0.00 179.25 178.87 3h3x h LEU 209 N 0.32 1.05 -0.21 0.00 3.38 -1.10 -0.91 115.31 117.83 3h3x h LEU 209 Ca 0.40 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 3h3x h LEU 209 Cb 1.09 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3h3x h LEU 209 CO -0.12 0.83 -0.21 0.45 0.09 0.00 0.00 178.44 179.49 3h3x h HIS 210 N 1.18 0.61 -0.06 1.13 3.86 -0.84 -3.32 115.15 117.73 3h3x h HIS 210 Ca 0.30 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 3h3x h HIS 210 Cb 0.00 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3h3x h HIS 210 CO 0.01 0.86 -0.42 1.98 0.86 0.00 0.00 177.93 181.22 3h3x h MET 211 N 0.19 0.12 0.00 2.45 1.85 -0.95 -2.49 114.93 116.11 3h3x h MET 211 Ca 0.03 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 58.99 3h3x h MET 211 Cb 0.75 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.77 3h3x h MET 211 CO 0.05 0.52 -0.37 -0.56 -0.40 0.00 0.00 176.91 176.16 3h3x h GLN 212 N 0.10 0.00 -0.84 0.39 -0.00 -1.26 -1.01 115.11 112.49 3h3x h GLN 212 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 3h3x h GLN 212 Cb 0.79 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.21 3h3x h GLN 212 CO 0.06 0.37 0.53 0.28 -0.00 0.00 0.00 178.83 180.07 3h3x h VAL 213 N 0.00 1.09 -0.37 1.86 2.07 -1.56 -0.96 116.25 118.38 3h3x h VAL 213 Ca -0.00 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3h3x h VAL 213 Cb 0.67 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3h3x h VAL 213 CO 0.05 0.18 0.02 0.11 0.02 0.00 0.00 177.57 177.95 3h3x h LYS 214 N 1.01 0.65 -0.46 1.57 1.57 -1.20 -1.26 116.57 118.45 3h3x h LYS 214 Ca 0.35 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3h3x h LYS 214 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3h3x h LYS 214 CO -0.14 0.74 0.22 0.00 -0.57 0.00 0.00 179.45 179.69 3h3x h ALA 215 N 0.89 1.52 -0.05 3.86 0.00 -0.89 -0.19 119.26 124.39 3h3x h ALA 215 Ca 0.11 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 3h3x h ALA 215 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h3x h ALA 215 CO 0.02 0.39 -0.78 0.00 0.00 0.00 0.00 179.25 178.88 3h3x h ALA 216 N 1.60 0.58 -0.44 0.00 0.00 -1.05 -2.47 119.26 117.48 3h3x h ALA 216 Ca 0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3h3x h ALA 216 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3h3x h ALA 216 CO -0.02 0.80 0.22 0.77 0.00 0.00 0.00 179.25 181.01 3h3x h SER 217 N 0.22 0.57 -0.11 0.00 0.02 -0.06 -0.21 113.55 113.97 3h3x h SER 217 Ca -0.04 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3h3x h SER 217 Cb 1.36 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3h3x h SER 217 CO 0.13 0.53 -0.06 0.00 -1.14 0.00 0.00 176.83 176.29 3h3x h ALA 218 N 1.06 0.04 -0.75 3.77 0.00 -1.04 -2.33 119.26 120.02 3h3x h ALA 218 Ca 0.15 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3h3x h ALA 218 Cb 0.11 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3h3x h ALA 218 CO -0.02 -0.51 0.41 1.98 0.00 0.00 0.00 179.25 181.11 3h3x h MET 219 N -0.05 0.68 0.00 0.00 -1.53 -1.21 -2.44 114.93 110.38 3h3x h MET 219 Ca 0.06 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.26 3h3x h MET 219 Cb 0.14 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.03 3h3x h MET 219 CO -0.14 0.45 -0.10 0.00 0.14 0.00 0.00 176.91 177.27 3h3x h ALA 220 N 1.42 1.21 -0.28 0.39 0.00 -0.51 0.99 119.26 122.49 3h3x h ALA 220 Ca 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3h3x h ALA 220 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3h3x h ALA 220 CO -0.24 0.12 0.16 0.82 0.00 0.00 0.00 179.25 180.11 3h3x h ILE 221 N 0.00 1.02 0.00 0.00 2.04 -1.07 0.22 117.51 119.73 3h3x h ILE 221 Ca -0.00 -0.11 -0.22 0.00 1.00 0.00 0.00 64.86 65.53 3h3x h ILE 221 Cb 0.33 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3h3x h ILE 221 CO 0.01 0.06 -1.46 -0.07 0.00 0.00 0.00 178.15 176.69 3h3x h LEU 222 N 0.33 0.00 -0.60 1.44 3.38 -1.59 -3.38 115.31 114.89 3h3x h LEU 222 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h3x h LEU 222 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3h3x h LEU 222 CO -0.06 0.78 -0.59 0.61 0.09 0.00 0.00 178.44 179.27 3h3x n GLY 223 N 1.45 -0.41 1.77 0.83 0.00 0.31 -4.86 105.19 104.29 3h3x n GLY 223 Ca -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.44 2.59 0.00 -0.02 0.00 0.77 -1.12 105.19 108.84 3h3x n GLY 224 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.00 -3.70 1.61 2.85 -1.24 -4.93 118.16 112.74 3h3x n LYS 225 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 3h3x n LYS 225 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 -0.50 0.90 -5.58 3.84 -1.26 -3.56 114.94 108.78 3h3x s ASN 226 Ca 0.00 0.88 -0.12 0.00 0.21 0.00 0.00 52.86 53.83 3h3x s ASN 226 Cb 0.00 0.78 0.13 0.00 -0.55 0.00 0.00 41.25 41.61 3h3x s ASN 226 CO 0.00 -0.18 1.09 -2.84 -2.79 0.00 0.00 177.10 172.38 3h3x s PRO 227 N 1.19 1.22 -0.33 0.43 0.02 -1.26 -5.03 135.00 131.24 3h3x s PRO 227 Ca -0.08 0.74 -0.07 0.00 0.02 0.00 0.00 61.00 61.62 3h3x s PRO 227 Cb -0.07 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.64 3h3x s PRO 227 CO -0.10 -2.24 0.26 0.72 -0.33 0.00 0.00 177.00 175.31 3h3x n HIS 228 N -3.87 -3.35 -0.92 6.54 8.25 -1.26 -5.01 115.22 115.60 3h3x n HIS 228 Ca 0.07 1.42 -0.31 0.00 -0.26 0.00 0.00 57.72 58.64 3h3x n HIS 228 Cb 0.56 -3.78 0.14 0.00 1.12 0.00 0.00 29.99 28.02 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 -1.94 2.44 -0.42 1.59 -4.23 -1.23 -4.74 115.64 107.11 3h3x s THR 229 Ca 0.11 0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 3h3x s THR 229 Cb -0.03 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.70 3h3x s THR 229 CO 0.69 -0.18 0.60 1.67 -0.54 0.00 0.00 174.62 176.86 3h3x n GLN 230 N -3.91 0.65 0.00 3.99 7.27 -0.28 -4.92 117.38 120.18 3h3x n GLN 230 Ca 0.11 -2.80 0.00 0.00 0.07 0.00 0.00 57.00 54.38 3h3x n GLN 230 Cb 0.52 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 1.73 0.00 -3.62 3.69 -1.74 -1.25 -4.71 117.46 111.55 3h3x n PHE 231 Ca 0.19 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.72 3h3x n PHE 231 Cb 0.55 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.50 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 5.16 0.21 1.97 -4.23 -1.26 -0.79 115.64 116.70 3h3x s THR 232 Ca 0.00 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3h3x s THR 232 Cb 0.00 -3.62 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3h3x s THR 232 CO 0.00 0.45 0.09 0.68 -0.54 0.00 0.00 174.62 175.30 3h3x s VAL 233 N -1.21 0.35 0.23 2.29 -7.23 -0.63 -4.85 120.40 109.34 3h3x s VAL 233 Ca 0.26 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 3h3x s VAL 233 Cb -0.15 -2.44 -0.10 0.00 0.56 0.00 0.00 36.38 34.26 3h3x s VAL 233 CO 0.14 -0.13 1.42 -0.69 -0.31 0.00 0.00 175.10 175.53 3h3x s VAL 234 N -3.90 2.80 0.00 1.32 1.01 -1.26 -1.77 120.40 118.60 3h3x s VAL 234 Ca 0.34 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3h3x s VAL 234 Cb 0.07 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.03 3h3x s VAL 234 CO 0.10 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3h3x n GLY 235 N 2.42 1.02 0.00 4.51 0.00 -1.26 -4.82 105.19 107.07 3h3x n GLY 235 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.10 3.25 -0.02 0.00 -0.73 -0.32 105.19 105.26 3h3x n GLY 236 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.25 0.93 -3.83 0.00 3.41 0.03 -4.32 113.62 109.59 3h3x n SER 238 Ca -0.07 -0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 57.55 3h3x n SER 238 Cb 0.63 1.25 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 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 -1.60 4.38 -0.15 4.04 2.85 -1.26 -4.79 115.26 118.73 3h3x n ASN 239 Ca 0.01 -2.94 0.08 0.00 -0.11 0.00 0.00 54.58 51.61 3h3x n ASN 239 Cb 0.30 -1.60 0.39 0.00 1.24 0.00 0.00 39.78 40.12 3h3x n ASN 239 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 3h3x h TYR 240 N 5.99 0.68 -0.07 1.20 0.05 -1.96 -0.86 116.97 122.01 3h3x h TYR 240 Ca 0.50 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.27 3h3x h TYR 240 Cb 0.65 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3h3x h TYR 240 CO 1.38 0.36 -0.05 0.37 -1.05 0.00 0.00 178.16 179.16 3h3x h GLN 241 N 0.67 0.10 0.00 4.88 4.15 -1.99 -2.39 115.11 120.53 3h3x h GLN 241 Ca 0.30 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3h3x h GLN 241 Cb 0.31 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3h3x h GLN 241 CO -0.10 0.16 0.00 0.41 -1.93 0.00 0.00 178.83 177.38 3h3x n GLY 242 N -1.24 -0.92 0.79 2.39 0.00 -0.33 -1.86 105.19 104.03 3h3x n GLY 242 Ca -0.02 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3h3x n GLY 242 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h3x n LEU 243 N -2.05 2.47 -4.94 0.99 4.77 -0.90 -4.71 117.00 112.63 3h3x n LEU 243 Ca 0.00 -0.83 -0.25 0.00 -0.03 0.00 0.00 56.01 54.90 3h3x n LEU 243 Cb 0.09 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3h3x n LEU 243 CO 0.11 0.42 0.13 0.42 -1.33 0.00 0.00 177.39 177.13 3h3x s THR 244 N -1.99 5.13 0.15 -5.08 -4.23 -0.78 -4.56 115.64 104.28 3h3x s THR 244 Ca 0.32 -0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.21 3h3x s THR 244 Cb 0.20 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.27 3h3x s THR 244 CO 0.31 -0.43 1.65 0.50 -0.54 0.00 0.00 174.62 176.11 3h3x h LYS 245 N 1.17 -0.14 0.04 3.99 3.64 -1.92 -2.78 116.57 120.56 3h3x h LYS 245 Ca -0.49 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3h3x h LYS 245 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3h3x h LYS 245 CO 0.63 -0.10 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.26 3h3x h ASP 246 N -0.15 -0.05 -0.96 4.20 3.32 -1.96 -0.60 116.42 120.23 3h3x h ASP 246 Ca 0.15 -0.43 0.08 0.00 0.02 0.00 0.00 57.03 56.85 3h3x h ASP 246 Cb 0.38 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 3h3x h ASP 246 CO -0.38 0.42 0.61 -0.65 -1.72 0.00 0.00 179.24 177.52 3h3x h PRO 247 N -0.52 1.03 -0.09 3.56 0.11 -1.85 -1.86 132.00 132.38 3h3x h PRO 247 Ca -0.01 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 3h3x h PRO 247 Cb 0.47 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3h3x h PRO 247 CO 0.01 0.68 -0.40 -0.07 -0.21 0.00 0.00 178.00 178.02 3h3x h LEU 248 N 1.06 0.19 -0.36 2.35 3.38 -1.37 -0.70 115.31 119.86 3h3x h LEU 248 Ca 0.43 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3h3x h LEU 248 Cb 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3h3x h LEU 248 CO -0.20 0.57 0.17 0.00 0.09 0.00 0.00 178.44 179.08 3h3x h ALA 249 N 1.44 0.46 -0.09 1.53 0.00 -0.62 -1.67 119.26 120.31 3h3x h ALA 249 Ca 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3h3x h ALA 249 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3h3x h ALA 249 CO 0.06 0.02 -0.47 -0.97 0.00 0.00 0.00 179.25 177.89 3h3x h ASN 250 N 0.44 0.23 -0.32 0.00 -1.24 -1.01 -1.36 115.58 112.32 3h3x h ASN 250 Ca 0.12 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 3h3x h ASN 250 Cb 0.11 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 3h3x h ASN 250 CO -0.02 0.67 -0.04 0.22 -1.29 0.00 0.00 177.43 176.98 3h3x h TYR 251 N 0.17 0.65 -0.44 0.67 3.20 -1.07 -0.78 116.97 119.37 3h3x h TYR 251 Ca 0.01 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3h3x h TYR 251 Cb 0.90 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3h3x h TYR 251 CO 0.01 0.74 0.24 1.25 -1.64 0.00 0.00 178.16 178.76 3h3x h LEU 252 N 0.37 0.54 0.12 2.82 5.85 -1.10 0.93 115.31 124.85 3h3x h LEU 252 Ca 0.08 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h3x h LEU 252 Cb 0.51 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3h3x h LEU 252 CO 0.02 0.48 -0.13 0.00 -0.34 0.00 0.00 178.44 178.47 3h3x h ALA 253 N 1.09 -0.24 -0.65 1.25 0.00 -1.16 0.08 119.26 119.63 3h3x h ALA 253 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h3x h ALA 253 Cb 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3h3x h ALA 253 CO -0.02 -0.66 0.41 -0.07 0.00 0.00 0.00 179.25 178.91 3h3x h LEU 254 N -0.28 0.77 -0.98 0.00 3.38 -1.01 -1.30 115.31 115.89 3h3x h LEU 254 Ca 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3h3x h LEU 254 Cb 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3h3x h LEU 254 CO -0.05 0.58 0.16 0.28 0.09 0.00 0.00 178.44 179.50 3h3x h SER 255 N 0.88 0.84 -0.40 -0.43 0.02 -0.58 -1.16 113.55 112.72 3h3x h SER 255 Ca 0.24 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3h3x h SER 255 Cb -0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3h3x h SER 255 CO -0.05 0.81 -0.03 0.11 -1.14 0.00 0.00 176.83 176.54 3h3x h LYS 256 N 0.87 0.81 -0.48 3.45 1.57 -0.65 0.11 116.57 122.24 3h3x h LYS 256 Ca 0.19 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3h3x h LYS 256 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3h3x h LYS 256 CO -0.00 0.83 -0.03 0.93 -0.57 0.00 0.00 179.45 180.61 3h3x h GLU 257 N 0.75 0.87 -0.19 3.15 5.08 -0.79 -0.51 114.58 122.95 3h3x h GLU 257 Ca 0.14 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3h3x h GLU 257 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3h3x h GLU 257 CO 0.02 0.93 -0.02 0.28 -1.00 0.00 0.00 179.01 179.22 3h3x h VAL 258 N 0.73 1.27 -0.38 3.13 2.07 -0.97 -2.82 116.25 119.28 3h3x h VAL 258 Ca 0.13 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3h3x h VAL 258 Cb 0.55 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3h3x h VAL 258 CO 0.03 0.29 0.23 0.00 0.02 0.00 0.00 177.57 178.14 3h3x h GLN 260 N 0.51 0.57 -0.25 0.00 4.15 -1.01 -1.84 115.11 117.25 3h3x h GLN 260 Ca 0.14 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3h3x h GLN 260 Cb -0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3h3x h GLN 260 CO -0.03 0.38 -0.15 0.35 -1.93 0.00 0.00 178.83 177.45 3h3x h PHE 261 N 0.59 0.46 -0.10 3.99 3.57 -0.85 0.16 116.94 124.75 3h3x h PHE 261 Ca 0.20 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h3x h PHE 261 Cb 0.01 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3h3x h PHE 261 CO -0.06 0.56 0.06 0.28 -2.23 0.00 0.00 178.31 176.91 3h3x h VAL 262 N 0.39 1.09 0.00 1.41 2.07 -0.84 0.95 116.25 121.31 3h3x h VAL 262 Ca 0.07 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.23 3h3x h VAL 262 Cb 0.50 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3h3x h VAL 262 CO 0.03 0.08 -0.61 0.78 0.02 0.00 0.00 177.57 177.87 3h3x h ASN 263 N 0.07 0.00 0.70 0.57 2.35 -0.96 -0.90 115.58 117.41 3h3x h ASN 263 Ca 0.04 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 3h3x h ASN 263 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 3h3x h ASN 263 CO -0.01 0.61 -1.43 -0.33 -1.65 0.00 0.00 177.43 174.62 3h3x h GLU 264 N 0.00 0.00 0.00 0.81 5.08 -0.65 -3.41 114.58 116.41 3h3x h GLU 264 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h3x h GLU 264 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3h3x h GLU 264 CO 0.08 0.47 -0.01 0.00 -1.00 0.00 0.00 179.01 178.55 3h3x h TYR 266 N 0.00 -1.46 0.80 0.00 3.20 -1.34 0.99 116.97 119.15 3h3x h TYR 266 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3h3x h TYR 266 Cb 0.01 0.61 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3h3x h TYR 266 CO 0.00 -0.61 -0.45 0.82 -1.64 0.00 0.00 178.16 176.28 3h3x h ILE 267 N -0.82 0.10 -0.97 1.81 1.08 -1.44 0.22 117.51 117.49 3h3x h ILE 267 Ca -0.03 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.59 3h3x h ILE 267 Cb 0.78 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.55 3h3x h ILE 267 CO -0.21 0.00 0.61 -0.65 -0.69 0.00 0.00 178.15 177.21 3h3x h PRO 268 N -1.15 0.81 -0.34 2.37 0.11 -1.79 0.68 132.00 132.69 3h3x h PRO 268 Ca -0.11 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.92 3h3x h PRO 268 Cb 0.91 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3h3x h PRO 268 CO 0.14 0.53 0.06 -0.44 -0.21 0.00 0.00 178.00 178.08 3h3x h ASP 269 N 0.83 0.53 -0.66 -2.05 3.32 -0.50 -0.12 116.42 117.77 3h3x h ASP 269 Ca 0.50 -0.25 0.03 0.00 0.02 0.00 0.00 57.03 57.33 3h3x h ASP 269 Cb 0.68 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3h3x h ASP 269 CO -0.27 0.64 0.41 0.25 -1.72 0.00 0.00 179.24 178.56 3h3x h LEU 270 N 0.39 0.68 -0.64 1.55 5.85 0.04 -0.67 115.31 122.51 3h3x h LEU 270 Ca 0.10 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 270 Cb 0.34 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3h3x h LEU 270 CO 0.01 0.47 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.30 3h3x h LEU 271 N 0.81 0.87 -0.08 2.25 3.38 -0.68 0.12 115.31 121.99 3h3x h LEU 271 Ca 0.27 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3h3x h LEU 271 Cb 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3h3x h LEU 271 CO -0.10 1.05 -0.08 0.00 0.09 0.00 0.00 178.44 179.39 3h3x h ALA 272 N 1.02 0.11 -0.12 1.53 0.00 -0.69 -0.65 119.26 120.46 3h3x h ALA 272 Ca 0.10 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3h3x h ALA 272 Cb 0.73 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3h3x h ALA 272 CO 0.06 -0.06 -0.28 0.28 0.00 0.00 0.00 179.25 179.25 3h3x h VAL 273 N -0.25 0.36 -0.91 0.00 2.07 -1.09 -1.58 116.25 114.85 3h3x h VAL 273 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3h3x h VAL 273 Cb 0.61 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3h3x h VAL 273 CO 0.02 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.20 3h3x h ALA 274 N 0.52 1.63 -0.71 1.67 0.00 -0.94 -0.96 119.26 120.48 3h3x h ALA 274 Ca 0.10 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h3x h ALA 274 Cb 0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3h3x h ALA 274 CO -0.32 0.18 0.47 0.78 0.00 0.00 0.00 179.25 180.35 3h3x h GLY 275 N 0.89 0.99 1.63 0.00 0.00 -0.16 -2.36 103.07 104.07 3h3x h GLY 275 Ca 0.43 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 3h3x h GLY 275 CO -0.19 0.35 -0.46 0.74 0.00 0.00 0.00 176.54 176.98 3h3x h PHE 276 N 0.93 0.00 -0.65 5.60 0.04 -0.56 -3.33 116.94 118.97 3h3x h PHE 276 Ca 0.26 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.60 3h3x h PHE 276 Cb -0.07 0.00 -0.27 0.00 2.20 0.00 0.00 35.95 37.80 3h3x h PHE 276 CO -0.00 0.11 -0.16 0.66 -0.60 0.00 0.00 178.31 178.32 3h3x n TYR 277 N -2.98 2.21 -0.19 -0.55 4.02 -0.61 -4.77 117.16 114.29 3h3x n TYR 277 Ca 0.02 -2.16 0.29 0.00 -0.01 0.00 0.00 57.90 56.03 3h3x n TYR 277 Cb 0.59 -0.65 0.71 0.00 -0.02 0.00 0.00 39.34 39.97 3h3x n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3h3x h LYS 278 N 1.68 0.02 0.00 -0.72 1.57 -1.56 0.31 116.57 117.87 3h3x h LYS 278 Ca 0.37 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 3h3x h LYS 278 Cb 1.43 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 3h3x h LYS 278 CO 0.80 0.02 -0.04 0.38 -0.57 0.00 0.00 179.45 180.04 3h3x h ASP 279 N 0.02 0.00 0.27 0.86 2.03 -1.89 -1.36 116.42 116.36 3h3x h ASP 279 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 3h3x h ASP 279 Cb 1.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.22 3h3x h ASP 279 CO -0.02 0.04 0.00 0.79 -1.03 0.00 0.00 179.24 179.02 3h3x n TRP 280 N -4.30 0.00 0.95 4.15 7.02 0.11 -1.68 117.44 123.69 3h3x n TRP 280 Ca -0.03 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.53 3h3x n TRP 280 Cb 0.12 -0.25 0.47 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.12 -0.63 0.11 6.99 0.00 -0.51 -2.69 105.19 108.58 3h3x n GLY 281 Ca 0.09 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.07 3.32 3.17 -0.02 0.00 -0.68 -4.66 105.19 106.38 3h3x n GLY 282 Ca 0.11 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.84 1.52 0.00 -0.61 1.01 -1.17 -4.84 121.20 115.26 3h3x s ILE 283 Ca 0.18 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3h3x s ILE 283 Cb 0.16 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.34 3h3x s ILE 283 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3h3x n GLY 284 N 2.96 0.45 3.79 6.18 0.00 -1.25 -0.15 105.19 117.18 3h3x n GLY 284 Ca -0.17 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 2.65 0.00 -0.02 0.00 -1.24 -3.82 107.32 101.94 3h3x s GLY 285 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3h3x s GLY 285 CO 0.00 0.97 0.00 -1.30 0.00 0.00 0.00 173.10 172.77 3h3x n THR 286 N -0.16 0.00 0.00 0.90 -2.24 -1.26 -4.45 114.28 107.06 3h3x n THR 286 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3h3x n THR 286 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.29 1.88 -4.52 3.42 7.64 -1.26 -4.88 113.62 114.62 3h3x n SER 287 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3h3x n SER 287 Cb 0.00 0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 63.41 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 -1.01 4.47 -0.01 6.43 0.01 -1.26 -1.45 114.94 122.12 3h3x s ASN 288 Ca 0.00 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 3h3x s ASN 288 Cb 0.00 -1.28 -0.00 0.00 0.41 0.00 0.00 41.25 40.38 3h3x s ASN 288 CO 0.00 0.30 -0.08 -0.31 -1.51 0.00 0.00 177.10 175.50 3h3x s TYR 289 N -0.43 0.78 -0.04 2.20 2.02 0.58 -0.66 117.35 121.81 3h3x s TYR 289 Ca 0.06 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 3h3x s TYR 289 Cb -0.12 -0.53 0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3h3x s TYR 289 CO 0.02 -0.04 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.71 3h3x s LEU 290 N -0.05 1.62 0.01 -1.29 2.96 -0.71 -0.26 118.68 120.96 3h3x s LEU 290 Ca 0.01 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 3h3x s LEU 290 Cb -0.05 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3h3x s LEU 290 CO -0.00 0.02 -0.06 0.00 -1.32 0.00 0.00 176.35 174.99 3h3x s ALA 291 N 0.49 0.47 -2.22 5.97 0.00 -0.75 -4.39 121.76 121.34 3h3x s ALA 291 Ca -0.08 -0.41 0.25 0.00 0.00 0.00 0.00 51.96 51.73 3h3x s ALA 291 Cb -0.12 -0.06 0.49 0.00 0.00 0.00 0.00 23.12 23.44 3h3x s ALA 291 CO 0.01 0.06 1.41 1.19 0.00 0.00 0.00 175.76 178.43 3h3x n PHE 292 N 2.44 0.00 -0.43 0.00 3.72 -1.26 -1.49 117.46 120.44 3h3x n PHE 292 Ca -0.16 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.27 3h3x n PHE 292 Cb 0.57 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.33 -2.96 3.35 1.37 0.00 -1.26 -4.42 105.19 102.60 3h3x n GLY 293 Ca 0.13 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.76 1.28 -1.06 1.61 2.56 -0.64 -3.07 118.70 115.62 3h3x s GLU 294 Ca 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 54.97 53.53 3h3x s GLU 294 Cb 0.00 0.36 -0.05 0.00 2.00 0.00 0.00 34.13 36.43 3h3x s GLU 294 CO 0.00 -0.47 0.91 1.19 -0.56 0.00 0.00 175.26 176.34 3h3x n PHE 295 N -0.28 -2.34 -2.95 5.30 3.72 -1.26 -1.89 117.46 117.76 3h3x n PHE 295 Ca -0.02 0.86 -0.35 0.00 -0.05 0.00 0.00 57.45 57.89 3h3x n PHE 295 Cb 0.64 -4.30 -0.06 0.00 -0.94 0.00 0.00 39.48 34.81 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 -3.37 3.24 -0.40 4.37 0.00 -1.26 -1.03 121.76 123.30 3h3x s ALA 296 Ca 0.34 0.29 0.23 0.00 0.00 0.00 0.00 51.96 52.83 3h3x s ALA 296 Cb -0.04 -2.99 0.22 0.00 0.00 0.00 0.00 23.12 20.31 3h3x s ALA 296 CO 0.72 0.24 1.33 1.79 0.00 0.00 0.00 175.76 179.83 3h3x h THR 297 N 2.29 0.00 -3.38 0.00 1.35 -1.86 -3.43 112.91 107.89 3h3x h THR 297 Ca -0.48 -0.88 -0.59 0.00 -0.55 0.00 0.00 66.41 63.91 3h3x h THR 297 Cb 1.18 1.60 -0.39 0.00 -1.73 0.00 0.00 68.15 68.81 3h3x h THR 297 CO 0.64 0.00 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.53 3h3x s ASP 298 N -5.40 3.90 -0.48 5.36 -1.08 -1.26 -4.99 116.67 112.72 3h3x s ASP 298 Ca 0.04 -1.45 0.03 0.00 -0.52 0.00 0.00 52.55 50.64 3h3x s ASP 298 Cb 0.09 -1.01 0.47 0.00 -1.46 0.00 0.00 42.92 41.01 3h3x s ASP 298 CO 0.73 -0.34 1.66 0.47 0.52 0.00 0.00 175.17 178.21 3h3x n ASP 299 N 4.75 5.93 0.11 -0.34 8.00 -1.26 -2.82 116.55 130.93 3h3x n ASP 299 Ca -0.05 -3.77 0.13 0.00 0.71 0.00 0.00 54.79 51.81 3h3x n ASP 299 Cb 0.43 -0.70 0.30 0.00 -0.02 0.00 0.00 41.12 41.13 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 1.90 0.00 -4.77 -2.24 4.64 -1.93 -3.43 113.55 107.72 3h3x h SER 300 Ca 0.48 -0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.80 3h3x h SER 300 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 3h3x h SER 300 CO 1.14 0.02 0.36 -0.94 -0.87 0.00 0.00 176.83 176.54 3h3x s SER 301 N -4.76 -0.48 0.27 4.97 1.04 -1.26 -4.80 113.70 108.68 3h3x s SER 301 Ca 0.09 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.65 3h3x s SER 301 Cb 0.11 0.47 0.57 0.00 0.10 0.00 0.00 66.02 67.28 3h3x s SER 301 CO 0.64 -0.72 1.77 -0.65 0.98 0.00 0.00 173.24 175.26 3h3x h PRO 302 N 2.17 0.67 -0.16 4.02 0.11 -1.91 0.84 132.00 137.74 3h3x h PRO 302 Ca -0.27 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 3h3x h PRO 302 Cb 1.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3h3x h PRO 302 CO 0.34 0.44 -0.55 0.93 -0.21 0.00 0.00 178.00 178.96 3h3x h GLU 303 N 0.69 0.48 -0.54 1.05 3.07 -1.96 -0.35 114.58 117.02 3h3x h GLU 303 Ca 0.49 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 3h3x h GLU 303 Cb 0.68 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 3h3x h GLU 303 CO -0.36 0.91 0.06 0.87 -1.40 0.00 0.00 179.01 179.09 3h3x h LYS 304 N 0.37 0.88 0.06 2.33 1.79 -1.62 -1.83 116.57 118.54 3h3x h LYS 304 Ca 0.01 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3h3x h LYS 304 Cb 1.08 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3h3x h LYS 304 CO 0.10 0.84 -0.03 1.25 -1.08 0.00 0.00 179.45 180.53 3h3x h HIS 305 N 0.82 -0.07 -0.89 -1.35 2.76 -0.39 -0.20 115.15 115.83 3h3x h HIS 305 Ca 0.17 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.49 3h3x h HIS 305 Cb 0.41 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.33 3h3x h HIS 305 CO 0.02 0.09 0.58 -0.07 -1.30 0.00 0.00 177.93 177.25 3h3x h LEU 306 N -0.23 0.63 0.00 0.26 3.38 -1.05 -2.15 115.31 116.15 3h3x h LEU 306 Ca -0.01 0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 3h3x h LEU 306 Cb 0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3h3x h LEU 306 CO 0.01 0.31 -1.33 0.00 0.09 0.00 0.00 178.44 177.52 3h3x h ALA 307 N 1.60 0.58 -0.05 1.53 0.00 -1.01 -3.37 119.26 118.55 3h3x h ALA 307 Ca 0.45 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3h3x h ALA 307 Cb 0.77 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3h3x h ALA 307 CO -0.21 1.36 0.00 0.25 0.00 0.00 0.00 179.25 180.66 3h3x n THR 308 N -3.18 0.41 -1.67 0.00 -2.24 -0.12 -4.99 114.28 102.50 3h3x n THR 308 Ca -0.08 -0.71 -0.47 0.00 -2.27 0.00 0.00 64.05 60.52 3h3x n THR 308 Cb 0.98 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 70.01 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 0.08 3.21 0.05 3.42 7.64 -0.83 -2.61 113.62 124.58 3h3x n SER 309 Ca 0.03 1.04 -0.04 0.00 1.01 0.00 0.00 58.87 60.91 3h3x n SER 309 Cb 0.19 -1.40 0.18 0.00 -1.01 0.00 0.00 64.21 62.17 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 7.23 0.38 -5.32 1.43 4.20 -0.68 -3.22 115.11 119.12 3h3x h GLN 310 Ca -0.46 -0.18 -0.64 0.00 0.06 0.00 0.00 58.65 57.42 3h3x h GLN 310 Cb 1.26 -0.00 -0.15 0.00 0.30 0.00 0.00 27.48 28.89 3h3x h GLN 310 CO 0.91 0.72 0.51 -0.06 -0.67 0.00 0.00 178.83 180.24 3h3x s PHE 311 N -4.21 2.74 0.72 2.96 0.40 -0.79 -5.01 117.98 114.80 3h3x s PHE 311 Ca -0.06 -0.66 -0.14 0.00 -0.60 0.00 0.00 56.93 55.47 3h3x s PHE 311 Cb 0.13 -4.26 0.03 0.00 0.51 0.00 0.00 43.02 39.43 3h3x s PHE 311 CO 0.79 -1.60 1.15 -1.25 0.70 0.00 0.00 175.22 175.02 3h3x s PRO 312 N 3.80 2.32 0.63 0.24 0.04 -1.22 -1.62 135.00 139.19 3h3x s PRO 312 Ca 0.22 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 3h3x s PRO 312 Cb -0.17 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.50 3h3x s PRO 312 CO 0.08 -1.65 0.97 -1.54 0.04 0.00 0.00 177.00 174.90 3h3x s SER 313 N -2.42 5.59 0.00 6.66 1.04 -1.26 -4.19 113.70 119.12 3h3x s SER 313 Ca 0.70 0.89 0.00 0.00 0.48 0.00 0.00 55.95 58.01 3h3x s SER 313 Cb -0.24 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3h3x s SER 313 CO 0.46 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 174.15 3h3x n GLY 314 N -2.72 -0.89 2.82 7.32 0.00 -0.56 -4.91 105.19 106.25 3h3x n GLY 314 Ca 0.05 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 0.53 -0.09 1.61 1.01 -0.20 -1.80 120.40 119.46 3h3x s VAL 315 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3h3x s VAL 315 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3h3x s VAL 315 CO 0.00 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.60 3h3x s ILE 316 N 1.75 2.91 0.00 2.22 1.01 0.64 -1.43 121.20 128.31 3h3x s ILE 316 Ca 0.02 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.00 3h3x s ILE 316 Cb -0.13 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3h3x s ILE 316 CO -0.05 0.55 -0.19 -0.89 0.00 0.00 0.00 174.94 174.37 3h3x s THR 317 N -0.08 1.48 -1.53 2.92 2.01 -1.26 -0.31 115.64 118.87 3h3x s THR 317 Ca -0.03 -0.90 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 3h3x s THR 317 Cb -0.14 -1.25 0.10 0.00 0.01 0.00 0.00 72.50 71.22 3h3x s THR 317 CO 0.04 0.34 0.83 0.61 -0.69 0.00 0.00 174.62 175.74 3h3x n GLY 318 N 2.40 -0.48 2.48 4.40 0.00 -1.00 -1.50 105.19 111.47 3h3x n GLY 318 Ca -0.16 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.39 -1.59 -2.88 1.61 1.74 -0.53 -4.90 116.66 105.71 3h3x n ARG 319 Ca 0.04 1.09 -0.44 0.00 -0.77 0.00 0.00 57.85 57.77 3h3x n ARG 319 Cb 0.52 -5.61 -0.02 0.00 -1.02 0.00 0.00 32.46 26.33 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 -2.36 6.76 0.39 0.55 -1.08 -0.56 -4.82 116.67 115.54 3h3x s ASP 320 Ca 0.00 -2.30 0.28 0.00 -0.52 0.00 0.00 52.55 50.01 3h3x s ASP 320 Cb 0.00 -2.42 1.33 0.00 -1.46 0.00 0.00 42.92 40.36 3h3x s ASP 320 CO 0.00 -1.01 1.83 -0.07 0.52 0.00 0.00 175.17 176.44 3h3x h LEU 321 N 10.53 0.00 -0.04 -1.34 3.38 -1.90 -2.78 115.31 123.15 3h3x h LEU 321 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3h3x h LEU 321 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3h3x h LEU 321 CO 1.19 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 180.33 3h3x n GLY 322 N -0.63 -1.05 2.89 0.83 0.00 -1.26 -4.59 105.19 101.39 3h3x n GLY 322 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.19 0.73 -0.30 1.61 2.20 -1.05 -5.10 119.74 115.64 3h3x s LYS 323 Ca 0.41 -0.73 -0.19 0.00 -0.36 0.00 0.00 55.97 55.10 3h3x s LYS 323 Cb 0.21 -0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.06 3h3x s LYS 323 CO 0.40 -1.21 0.56 0.08 -0.36 0.00 0.00 175.35 174.83 3h3x s VAL 324 N 1.48 5.00 0.39 4.02 1.01 -1.26 -4.67 120.40 126.38 3h3x s VAL 324 Ca 0.18 0.76 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 3h3x s VAL 324 Cb -0.11 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 3h3x s VAL 324 CO -0.04 -0.07 0.72 -1.81 0.00 0.00 0.00 175.10 173.89 3h3x s ASP 325 N 1.63 6.45 0.58 3.32 1.01 -0.51 -4.83 116.67 124.30 3h3x s ASP 325 Ca 0.22 0.98 -0.18 0.00 0.71 0.00 0.00 52.55 54.28 3h3x s ASP 325 Cb -0.15 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3h3x s ASP 325 CO 0.11 -0.39 1.12 0.20 0.21 0.00 0.00 175.17 176.43 3h3x s ASN 326 N -3.38 5.55 -0.05 0.27 0.01 -1.26 -1.03 114.94 115.05 3h3x s ASN 326 Ca 0.48 2.13 -0.30 0.00 -0.71 0.00 0.00 52.86 54.46 3h3x s ASN 326 Cb -0.10 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3h3x s ASN 326 CO 0.34 -1.33 1.22 -0.69 -1.51 0.00 0.00 177.10 175.13 3h3x s VAL 327 N -1.93 4.20 -0.44 1.60 1.01 -1.26 -4.72 120.40 118.86 3h3x s VAL 327 Ca 0.71 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 64.07 3h3x s VAL 327 Cb -0.23 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.21 3h3x s VAL 327 CO 0.31 -0.01 0.34 -0.62 0.00 0.00 0.00 175.10 175.12 3h3x s ASP 328 N 1.54 6.12 0.49 3.32 2.15 -1.26 -4.95 116.67 124.09 3h3x s ASP 328 Ca 0.57 -1.09 0.21 0.00 0.43 0.00 0.00 52.55 52.66 3h3x s ASP 328 Cb -0.25 -2.17 1.25 0.00 -0.30 0.00 0.00 42.92 41.45 3h3x s ASP 328 CO 0.22 -0.54 2.05 -0.07 -0.17 0.00 0.00 175.17 176.66 3h3x h LEU 329 N 8.68 0.00 -1.37 -1.34 3.38 -1.99 -1.66 115.31 121.01 3h3x h LEU 329 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3h3x h LEU 329 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3h3x h LEU 329 CO 0.80 0.14 -0.12 1.23 0.09 0.00 0.00 178.44 180.58 3h3x h GLY 330 N 0.62 0.00 1.39 0.83 0.00 -2.04 -3.29 103.07 100.58 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 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.53 3h3x n ALA 331 N -2.17 2.56 -2.69 3.60 0.00 -0.62 -4.84 120.51 116.35 3h3x n ALA 331 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 3h3x n ALA 331 Cb 0.35 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.50 5.07 0.12 0.00 1.01 -1.24 -2.28 121.20 121.38 3h3x s ILE 332 Ca 0.30 1.29 -0.08 0.00 0.00 0.00 0.00 60.65 62.16 3h3x s ILE 332 Cb 0.20 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.70 3h3x s ILE 332 CO 0.46 0.29 0.21 -0.72 0.00 0.00 0.00 174.94 175.18 3h3x s TYR 333 N 0.64 0.32 -0.06 3.97 1.13 -0.57 -4.35 117.35 118.43 3h3x s TYR 333 Ca 0.34 -0.72 0.05 0.00 -1.41 0.00 0.00 57.07 55.33 3h3x s TYR 333 Cb -0.17 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 3h3x s TYR 333 CO 0.16 -0.61 -0.23 -1.21 -2.51 0.00 0.00 175.55 171.15 3h3x s GLU 334 N -3.92 2.58 0.19 -3.49 2.02 -0.03 -0.07 118.70 115.98 3h3x s GLU 334 Ca 0.11 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.29 3h3x s GLU 334 Cb 0.05 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 3h3x s GLU 334 CO -0.06 0.41 0.21 -0.51 0.02 0.00 0.00 175.26 175.34 3h3x s ASP 335 N -0.22 5.81 0.00 -0.19 1.11 0.24 -2.41 116.67 121.01 3h3x s ASP 335 Ca -0.01 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.65 3h3x s ASP 335 Cb -0.13 -1.59 0.00 0.00 1.07 0.00 0.00 42.92 42.27 3h3x s ASP 335 CO 0.03 0.02 0.62 1.33 1.18 0.00 0.00 175.17 178.35 3h3x n VAL 336 N -0.74 0.34 -0.28 -1.27 0.24 -1.26 -0.66 118.33 114.70 3h3x n VAL 336 Ca -0.08 -0.38 0.10 0.00 -2.04 0.00 0.00 64.34 61.94 3h3x n VAL 336 Cb 0.56 0.94 0.24 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.20 -0.49 7.34 3.64 -1.89 -0.88 116.57 124.49 3h3x h LYS 337 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3h3x h LYS 337 Cb 0.70 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 3h3x h LYS 337 CO 0.00 0.13 0.09 0.66 -2.27 0.00 0.00 179.45 178.06 3h3x n TYR 338 N -5.24 1.65 -4.43 1.91 4.02 -1.26 -4.71 117.16 109.11 3h3x n TYR 338 Ca 0.19 -1.09 -0.24 0.00 -0.01 0.00 0.00 57.90 56.74 3h3x n TYR 338 Cb 0.60 -0.50 -0.09 0.00 -0.02 0.00 0.00 39.34 39.32 3h3x n TYR 338 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3h3x s SER 339 N -1.58 3.81 -1.41 7.72 0.01 -0.34 -1.75 113.70 120.16 3h3x s SER 339 Ca 0.49 -0.94 -0.09 0.00 1.31 0.00 0.00 55.95 56.72 3h3x s SER 339 Cb 0.40 -0.42 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 3h3x s SER 339 CO 0.10 0.03 2.96 0.79 0.41 0.00 0.00 173.24 177.53 3h3x n TRP 340 N -0.68 2.19 -4.48 2.43 8.01 0.10 -4.74 117.44 120.27 3h3x n TRP 340 Ca -0.05 -2.89 -0.23 0.00 -1.31 0.00 0.00 57.50 53.02 3h3x n TRP 340 Cb 0.60 -2.31 -0.11 0.00 -2.01 0.00 0.00 31.31 27.48 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 1.57 2.10 0.38 -5.99 2.02 -1.25 -0.98 117.35 115.21 3h3x s TYR 341 Ca 0.68 -0.73 -0.27 0.00 -0.37 0.00 0.00 57.07 56.37 3h3x s TYR 341 Cb 0.20 -1.30 -0.11 0.00 -0.40 0.00 0.00 41.96 40.35 3h3x s TYR 341 CO -0.06 0.28 1.28 0.00 -1.57 0.00 0.00 175.55 175.48 3h3x n ALA 342 N -0.70 1.32 -1.77 3.71 0.00 0.23 -4.56 120.51 118.74 3h3x n ALA 342 Ca -0.04 0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3h3x n ALA 342 Cb 0.65 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 3h3x n ALA 342 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h3x s PRO 343 N -2.04 4.25 0.00 0.00 0.04 -1.26 -3.70 135.00 132.29 3h3x s PRO 343 Ca 0.58 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.89 3h3x s PRO 343 Cb -0.54 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.00 3h3x s PRO 343 CO 0.60 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.76 3h3x n GLY 344 N 0.72 1.00 1.18 0.56 0.00 -1.26 -4.95 105.19 102.43 3h3x n GLY 344 Ca 0.01 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.69 3.11 3.76 -0.02 0.00 -1.24 -5.04 105.19 105.06 3h3x n GLY 345 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.20 5.73 -1.30 1.61 1.01 -1.26 -3.87 116.67 117.39 3h3x s ASP 346 Ca 0.42 2.63 -0.02 0.00 0.71 0.00 0.00 52.55 56.29 3h3x s ASP 346 Cb 0.28 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.59 3h3x s ASP 346 CO 0.18 -1.25 0.27 0.61 0.21 0.00 0.00 175.17 175.19 3h3x n GLY 347 N 0.62 -0.28 3.65 0.21 0.00 -1.01 -4.96 105.19 103.42 3h3x n GLY 347 Ca 0.08 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.16 4.18 0.50 1.61 -0.14 -1.01 -4.82 119.74 114.89 3h3x s LYS 348 Ca 0.13 0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 55.16 3h3x s LYS 348 Cb -0.06 -3.61 -0.06 0.00 -1.68 0.00 0.00 37.83 32.42 3h3x s LYS 348 CO 0.16 -0.33 1.24 -1.58 -0.76 0.00 0.00 175.35 174.09 3h3x s HIS 349 N 2.20 2.63 0.56 3.18 5.65 -1.26 -0.86 115.29 127.40 3h3x s HIS 349 Ca 0.29 1.47 0.25 0.00 0.25 0.00 0.00 55.06 57.32 3h3x s HIS 349 Cb -0.16 -3.54 1.62 0.00 -1.18 0.00 0.00 32.58 29.32 3h3x s HIS 349 CO 0.10 -2.06 2.21 -1.35 -0.65 0.00 0.00 174.74 172.99 3h3x h PRO 350 N 1.77 0.00 0.00 2.88 0.11 -1.96 0.15 132.00 134.95 3h3x h PRO 350 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3h3x h PRO 350 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h3x h PRO 350 CO 0.59 0.00 -0.04 1.88 -0.21 0.00 0.00 178.00 180.22 3h3x h TYR 351 N 0.00 0.00 -0.21 0.65 0.05 -1.91 -0.54 116.97 115.02 3h3x h TYR 351 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 3h3x h TYR 351 Cb 0.03 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.74 3h3x h TYR 351 CO 0.00 0.04 -0.05 -0.25 -1.05 0.00 0.00 178.16 176.85 3h3x n ASP 352 N -3.66 3.03 -4.61 3.88 8.00 0.46 -4.93 116.55 118.72 3h3x n ASP 352 Ca -0.03 -3.29 -0.42 0.00 0.71 0.00 0.00 54.79 51.77 3h3x n ASP 352 Cb 0.13 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 -0.93 -0.16 3.02 0.44 0.00 -0.21 -4.76 105.19 102.59 3h3x n GLY 353 Ca 0.23 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.20 0.99 -0.36 1.61 1.01 -1.26 -5.00 120.40 116.18 3h3x s VAL 354 Ca 0.61 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3h3x s VAL 354 Cb -0.60 -0.89 0.12 0.00 0.00 0.00 0.00 36.38 35.01 3h3x s VAL 354 CO 0.58 0.31 0.16 -0.89 0.00 0.00 0.00 175.10 175.26 3h3x s THR 355 N 0.43 1.01 -0.44 3.92 2.01 -1.26 -5.05 115.64 116.26 3h3x s THR 355 Ca -0.09 -1.85 0.02 0.00 0.31 0.00 0.00 61.69 60.08 3h3x s THR 355 Cb -0.12 -1.74 0.14 0.00 0.01 0.00 0.00 72.50 70.78 3h3x s THR 355 CO 0.02 -0.78 0.25 -0.62 -0.69 0.00 0.00 174.62 172.79 3h3x s ASP 356 N 1.10 3.57 0.25 3.53 2.15 -1.26 -4.89 116.67 121.13 3h3x s ASP 356 Ca 0.13 -2.64 -0.30 0.00 0.43 0.00 0.00 52.55 50.18 3h3x s ASP 356 Cb -0.20 -0.99 -0.10 0.00 -0.30 0.00 0.00 42.92 41.33 3h3x s ASP 356 CO -0.13 -0.26 1.38 -2.16 -0.17 0.00 0.00 175.17 173.83 3h3x s PRO 357 N 0.34 4.31 -0.28 4.34 0.04 -1.26 -0.60 135.00 141.89 3h3x s PRO 357 Ca 0.18 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 3h3x s PRO 357 Cb -0.23 -3.12 0.13 0.00 0.04 0.00 0.00 34.50 31.32 3h3x s PRO 357 CO -0.01 -0.33 0.29 0.21 0.04 0.00 0.00 177.00 177.20 3h3x s LYS 358 N -0.62 0.32 0.47 4.56 2.20 -0.15 -4.72 119.74 121.80 3h3x s LYS 358 Ca 0.56 -0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.87 3h3x s LYS 358 Cb -0.40 -0.68 -0.09 0.00 -1.51 0.00 0.00 37.83 35.14 3h3x s LYS 358 CO 0.44 -1.00 1.00 -0.47 -0.36 0.00 0.00 175.35 174.96 3h3x s TYR 359 N 2.36 3.15 0.00 4.03 5.04 -1.26 -3.74 117.35 126.94 3h3x s TYR 359 Ca 0.09 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3h3x s TYR 359 Cb -0.14 -2.96 0.00 0.00 0.35 0.00 0.00 41.96 39.21 3h3x s TYR 359 CO -0.31 -0.52 0.00 0.25 -1.34 0.00 0.00 175.55 173.63 3h3x n THR 360 N -0.93 0.00 -3.81 4.34 -2.24 -1.26 -5.09 114.28 105.30 3h3x n THR 360 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 3h3x n THR 360 Cb 0.53 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.41 1.55 0.63 -0.78 -2.85 -1.26 -5.12 119.74 112.31 3h3x s LYS 361 Ca 0.00 -0.95 -0.16 0.00 -1.00 0.00 0.00 55.97 53.85 3h3x s LYS 361 Cb 0.00 0.55 -0.02 0.00 -2.06 0.00 0.00 37.83 36.30 3h3x s LYS 361 CO 0.00 -0.68 1.13 -1.17 0.10 0.00 0.00 175.35 174.73 3h3x s LEU 362 N -2.91 3.50 0.00 2.77 2.96 -1.26 -2.98 118.68 120.77 3h3x s LEU 362 Ca 0.12 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 3h3x s LEU 362 Cb -0.03 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.10 3h3x s LEU 362 CO 0.02 -1.56 0.00 0.47 -1.32 0.00 0.00 176.35 173.96 3h3x n ASP 363 N -2.07 0.00 -3.87 3.68 8.00 -1.26 -4.98 116.55 116.05 3h3x n ASP 363 Ca 0.11 0.00 -0.52 0.00 0.71 0.00 0.00 54.79 55.09 3h3x n ASP 363 Cb 0.51 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 3h3x n ASP 363 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3h3x n ASP 364 N 2.71 0.63 0.01 -2.24 2.03 -1.16 -4.82 116.55 113.72 3h3x n ASP 364 Ca 0.00 0.56 0.10 0.00 0.52 0.00 0.00 54.79 55.97 3h3x n ASP 364 Cb 0.00 -0.82 0.42 0.00 -0.72 0.00 0.00 41.12 40.01 3h3x n ASP 364 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3h3x n LYS 365 N 6.88 0.02 0.03 -0.67 4.01 -1.26 -2.77 118.16 124.40 3h3x n LYS 365 Ca 0.51 0.18 -0.03 0.00 -0.51 0.00 0.00 58.31 58.46 3h3x n LYS 365 Cb -0.03 -1.54 -0.09 0.00 -0.51 0.00 0.00 35.03 32.86 3h3x n LYS 365 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3h3x h ASP 366 N 0.00 0.00 -2.32 4.39 3.32 -1.94 -3.45 116.42 116.42 3h3x h ASP 366 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3h3x h ASP 366 Cb 0.36 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.56 3h3x h ASP 366 CO 0.00 0.74 -0.62 -1.00 -1.72 0.00 0.00 179.24 176.64 3h3x s HIS 367 N -2.81 -0.39 0.00 4.55 3.76 -1.11 -4.08 115.29 115.21 3h3x s HIS 367 Ca -0.02 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 3h3x s HIS 367 Cb 0.08 -0.37 0.00 0.00 1.11 0.00 0.00 32.58 33.40 3h3x s HIS 367 CO 0.81 -0.74 0.57 2.48 -0.85 0.00 0.00 174.74 177.01 3h3x n TYR 368 N 5.32 0.00 -3.76 1.40 0.18 -0.72 -4.57 117.16 115.01 3h3x n TYR 368 Ca -0.04 -0.10 -0.12 0.00 1.88 0.00 0.00 57.90 59.52 3h3x n TYR 368 Cb 0.48 -0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 39.35 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 -0.19 -0.15 0.06 9.48 0.15 -1.23 -4.26 113.70 117.56 3h3x s SER 369 Ca 0.00 -0.06 0.26 0.00 0.70 0.00 0.00 55.95 56.84 3h3x s SER 369 Cb 0.00 0.33 0.61 0.00 -1.71 0.00 0.00 66.02 65.26 3h3x s SER 369 CO 0.00 -0.53 1.51 0.79 1.20 0.00 0.00 173.24 176.21 3h3x n TRP 370 N 0.92 0.27 -2.56 3.44 7.02 -1.09 0.03 117.44 125.47 3h3x n TRP 370 Ca -0.20 0.08 -0.41 0.00 -1.02 0.00 0.00 57.50 55.95 3h3x n TRP 370 Cb 0.58 -0.49 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 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 -3.07 4.60 1.08 -0.99 -1.94 -1.26 -4.81 119.30 112.92 3h3x s MET 371 Ca 0.10 1.66 -0.14 0.00 -1.71 0.00 0.00 55.69 55.60 3h3x s MET 371 Cb 0.16 -3.31 0.23 0.00 2.01 0.00 0.00 34.83 33.92 3h3x s MET 371 CO 0.67 0.08 1.09 0.15 -0.01 0.00 0.00 175.02 176.99 3h3x s LYS 372 N -0.17 -0.21 -0.43 2.03 1.02 -1.26 -4.44 119.74 116.28 3h3x s LYS 372 Ca 0.50 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.86 3h3x s LYS 372 Cb -0.28 -1.68 0.12 0.00 -0.52 0.00 0.00 37.83 35.47 3h3x s LYS 372 CO 0.33 -3.13 0.19 0.00 -0.92 0.00 0.00 175.35 171.82 3h3x s ALA 373 N -2.92 3.15 0.15 5.17 0.00 0.17 -4.38 121.76 123.09 3h3x s ALA 373 Ca 0.67 -2.74 -0.30 0.00 0.00 0.00 0.00 51.96 49.60 3h3x s ALA 373 Cb -0.17 -2.26 -0.07 0.00 0.00 0.00 0.00 23.12 20.62 3h3x s ALA 373 CO 0.58 -1.83 1.04 -2.14 0.00 0.00 0.00 175.76 173.40 3h3x s PRO 374 N 0.71 4.64 0.05 0.00 0.02 -1.26 -0.59 135.00 138.56 3h3x s PRO 374 Ca 0.12 1.60 0.02 0.00 0.02 0.00 0.00 61.00 62.76 3h3x s PRO 374 Cb -0.22 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 30.96 3h3x s PRO 374 CO -0.05 0.14 -0.07 1.03 -0.33 0.00 0.00 177.00 177.72 3h3x s ARG 375 N -0.20 0.57 -0.27 5.54 1.81 0.90 -4.67 118.95 122.62 3h3x s ARG 375 Ca 0.48 -0.86 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 3h3x s ARG 375 Cb -0.27 -0.24 0.07 0.00 -0.45 0.00 0.00 34.95 34.07 3h3x s ARG 375 CO 0.32 0.03 -0.02 -0.47 -0.68 0.00 0.00 175.30 174.48 3h3x s TYR 376 N -1.82 2.83 -1.34 -0.53 5.04 0.66 -1.51 117.35 120.67 3h3x s TYR 376 Ca -0.06 -2.18 -0.05 0.00 -2.44 0.00 0.00 57.07 52.33 3h3x s TYR 376 Cb -0.07 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.26 3h3x s TYR 376 CO -0.01 -0.85 0.97 1.63 -1.34 0.00 0.00 175.55 175.95 3h3x n LYS 377 N 4.54 -6.29 -1.53 4.97 5.02 -0.97 -1.36 118.16 122.54 3h3x n LYS 377 Ca -0.07 0.73 -0.15 0.00 -2.02 0.00 0.00 58.31 56.80 3h3x n LYS 377 Cb 0.43 -5.61 -0.06 0.00 -0.02 0.00 0.00 35.03 29.77 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 -1.60 1.31 3.26 0.72 0.00 -1.26 -5.02 105.19 102.60 3h3x n GLY 378 Ca -0.15 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.43 1.94 0.31 1.61 1.02 -0.47 -5.09 119.74 115.63 3h3x s LYS 379 Ca 0.00 -0.83 -0.27 0.00 0.02 0.00 0.00 55.97 54.89 3h3x s LYS 379 Cb 0.00 -1.84 -0.09 0.00 -0.52 0.00 0.00 37.83 35.38 3h3x s LYS 379 CO 0.00 0.47 0.99 0.00 -0.92 0.00 0.00 175.35 175.90 3h3x s ALA 380 N -0.48 3.26 -0.05 5.17 0.00 -1.26 -0.25 121.76 128.15 3h3x s ALA 380 Ca 0.07 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3h3x s ALA 380 Cb -0.10 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3h3x s ALA 380 CO -0.00 0.05 -0.12 -1.64 0.00 0.00 0.00 175.76 174.04 3h3x s MET 381 N -1.78 1.58 0.07 0.00 1.00 -1.26 -4.65 119.30 114.26 3h3x s MET 381 Ca 0.48 -0.42 -0.25 0.00 0.00 0.00 0.00 55.69 55.50 3h3x s MET 381 Cb -0.24 -1.34 -0.06 0.00 0.00 0.00 0.00 34.83 33.20 3h3x s MET 381 CO 0.30 0.07 0.78 -2.00 0.00 0.00 0.00 175.02 174.17 3h3x s GLU 382 N 0.49 4.52 0.27 2.03 2.12 0.16 -4.43 118.70 123.87 3h3x s GLU 382 Ca -0.11 1.11 0.06 0.00 0.36 0.00 0.00 54.97 56.39 3h3x s GLU 382 Cb -0.14 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 3h3x s GLU 382 CO 0.03 0.34 -0.06 0.14 -0.54 0.00 0.00 175.26 175.17 3h3x s VAL 383 N -0.28 1.61 0.00 3.70 -7.23 -1.26 -1.74 120.40 115.20 3h3x s VAL 383 Ca 0.38 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 3h3x s VAL 383 Cb -0.21 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.31 3h3x s VAL 383 CO 0.24 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3h3x n GLY 384 N -0.56 -0.49 0.35 2.32 0.00 -1.15 -4.69 105.19 100.97 3h3x n GLY 384 Ca -0.06 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 5.51 0.87 -0.51 1.61 0.11 -1.82 0.20 132.00 137.97 3h3x h PRO 385 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3h3x h PRO 385 Cb 0.00 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 3h3x h PRO 385 CO 0.00 0.58 0.32 1.25 -0.21 0.00 0.00 178.00 179.93 3h3x h LEU 386 N 0.90 0.61 -0.13 2.35 5.85 -1.87 -0.03 115.31 122.98 3h3x h LEU 386 Ca 0.50 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 3h3x h LEU 386 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3h3x h LEU 386 CO -0.30 0.48 0.08 0.00 -0.34 0.00 0.00 178.44 178.36 3h3x h ALA 387 N 1.16 0.16 -0.84 1.25 0.00 -0.97 -1.16 119.26 118.86 3h3x h ALA 387 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3h3x h ALA 387 Cb -0.03 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h3x h ALA 387 CO -0.04 -0.33 0.56 0.00 0.00 0.00 0.00 179.25 179.44 3h3x h ARG 388 N 0.15 1.10 0.42 0.00 3.08 -0.97 -2.02 114.38 116.13 3h3x h ARG 388 Ca 0.05 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h3x h ARG 388 Cb 0.02 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3h3x h ARG 388 CO -0.01 0.73 -0.20 1.15 -1.07 0.00 0.00 179.97 180.57 3h3x h THR 389 N 1.13 0.58 -0.81 2.04 2.02 -0.71 -0.38 112.91 116.77 3h3x h THR 389 Ca 0.31 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3h3x h THR 389 Cb -0.12 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3h3x h THR 389 CO -0.07 0.06 0.49 -0.26 0.37 0.00 0.00 175.52 176.10 3h3x h PHE 390 N -0.74 0.90 -0.33 3.16 0.04 -1.18 0.23 116.94 119.01 3h3x h PHE 390 Ca -0.06 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.68 3h3x h PHE 390 Cb 0.52 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3h3x h PHE 390 CO -0.01 0.43 -0.04 0.82 -0.60 0.00 0.00 178.31 178.92 3h3x h ILE 391 N 0.87 1.27 -0.37 -0.55 2.04 -1.32 0.67 117.51 120.13 3h3x h ILE 391 Ca 0.37 -1.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 3h3x h ILE 391 Cb 0.22 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3h3x h ILE 391 CO -0.19 0.34 -0.15 0.00 0.00 0.00 0.00 178.15 178.15 3h3x h ALA 392 N 0.83 0.52 -0.10 1.87 0.00 -0.78 -1.40 119.26 120.20 3h3x h ALA 392 Ca 0.09 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3h3x h ALA 392 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3h3x h ALA 392 CO 0.02 0.43 0.02 -0.92 0.00 0.00 0.00 179.25 178.81 3h3x h TYR 393 N 0.56 0.04 -0.09 0.00 3.20 -0.49 0.13 116.97 120.31 3h3x h TYR 393 Ca 0.09 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3h3x h TYR 393 Cb 0.69 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3h3x h TYR 393 CO 0.06 0.02 -0.18 0.00 -1.64 0.00 0.00 178.16 176.42 3h3x h ALA 394 N 1.06 1.54 0.00 1.82 0.00 -0.77 -0.22 119.26 122.69 3h3x h ALA 394 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h3x h ALA 394 Cb 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3h3x h ALA 394 CO -0.05 0.34 -0.00 1.63 0.00 0.00 0.00 179.25 181.16 3h3x n LYS 395 N -4.26 0.04 -1.81 0.00 5.02 -0.54 -4.93 118.16 111.67 3h3x n LYS 395 Ca -0.01 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 3h3x n LYS 395 Cb 0.28 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.47 0.34 3.64 0.72 0.00 -0.10 -4.98 105.19 106.29 3h3x n GLY 396 Ca 0.07 -0.74 -0.50 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.86 1.77 -0.23 1.61 0.00 -0.28 -4.86 117.38 113.53 3h3x n GLN 397 Ca -0.05 0.62 0.00 0.00 -0.00 0.00 0.00 57.00 57.57 3h3x n GLN 397 Cb 0.43 -2.55 0.23 0.00 0.00 0.00 0.00 30.24 28.34 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 9.81 1.03 -0.12 3.69 0.11 -1.94 -0.92 132.00 143.66 3h3x h PRO 398 Ca -0.44 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h3x h PRO 398 Cb 1.29 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h3x h PRO 398 CO 0.97 0.69 0.01 -0.44 -0.21 0.00 0.00 178.00 179.02 3h3x h ASP 399 N 1.05 0.20 -0.34 -2.05 3.32 -1.98 -2.12 116.42 114.50 3h3x h ASP 399 Ca 0.28 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3h3x h ASP 399 Cb -0.10 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3h3x h ASP 399 CO -0.06 0.43 0.18 -0.26 -1.72 0.00 0.00 179.24 177.81 3h3x h PHE 400 N -0.04 0.48 -0.85 4.55 0.04 -1.81 -1.56 116.94 117.74 3h3x h PHE 400 Ca 0.04 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.92 3h3x h PHE 400 Cb 0.32 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 38.23 3h3x h PHE 400 CO 0.02 0.39 0.46 -0.22 -0.60 0.00 0.00 178.31 178.36 3h3x h LYS 401 N 0.42 0.67 0.71 1.51 3.64 -1.19 -1.93 116.57 120.40 3h3x h LYS 401 Ca 0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3h3x h LYS 401 Cb 0.08 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3h3x h LYS 401 CO -0.02 0.44 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.04 3h3x h LYS 402 N 0.69 -0.92 -0.13 1.90 3.64 -0.96 -2.93 116.57 117.86 3h3x h LYS 402 Ca 0.45 0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.78 3h3x h LYS 402 Cb 0.57 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 3h3x h LYS 402 CO -0.32 -0.61 -0.39 0.28 -2.27 0.00 0.00 179.45 176.13 3h3x h VAL 403 N -1.09 1.30 -0.28 2.00 2.07 -1.14 -2.03 116.25 117.07 3h3x h VAL 403 Ca -0.10 -1.48 -0.12 0.00 0.82 0.00 0.00 66.70 65.82 3h3x h VAL 403 Cb 0.73 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3h3x h VAL 403 CO 0.16 0.44 -0.33 0.58 0.02 0.00 0.00 177.57 178.44 3h3x h VAL 404 N 0.23 1.29 -0.13 2.57 2.07 -1.47 -0.37 116.25 120.43 3h3x h VAL 404 Ca 0.02 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.03 3h3x h VAL 404 Cb 0.79 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3h3x h VAL 404 CO 0.06 0.47 -0.17 0.44 0.02 0.00 0.00 177.57 178.39 3h3x h ASP 405 N 0.52 0.21 0.54 0.57 3.32 -1.24 0.49 116.42 120.82 3h3x h ASP 405 Ca 0.06 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3h3x h ASP 405 Cb 0.82 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3h3x h ASP 405 CO 0.07 0.40 -0.26 -0.03 -1.72 0.00 0.00 179.24 177.71 3h3x h MET 406 N 0.21 -0.69 -0.69 3.56 4.05 -0.67 -2.46 114.93 118.24 3h3x h MET 406 Ca 0.04 0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.64 3h3x h MET 406 Cb 0.43 0.16 -0.13 0.00 -0.80 0.00 0.00 31.60 31.26 3h3x h MET 406 CO 0.03 -0.46 -0.17 0.28 0.23 0.00 0.00 176.91 176.81 3h3x h VAL 407 N -0.89 0.31 0.00 -5.77 2.07 -0.96 0.46 116.25 111.47 3h3x h VAL 407 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3h3x h VAL 407 Cb 0.55 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h3x h VAL 407 CO 0.12 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 3h3x h LEU 408 N -0.00 0.00 0.22 2.57 3.38 -1.01 -0.96 115.31 119.51 3h3x h LEU 408 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3h3x h LEU 408 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3h3x h LEU 408 CO -0.71 0.00 -0.11 1.23 0.09 0.00 0.00 178.44 178.94 3h3x h GLY 409 N 3.70 -0.31 0.99 0.83 0.00 -0.80 0.44 103.07 107.92 3h3x h GLY 409 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3h3x h GLY 409 CO 0.00 -0.11 0.48 0.50 0.00 0.00 0.00 176.54 177.40 3h3x h LYS 410 N -0.76 0.00 0.00 4.80 1.79 -0.87 0.65 116.57 122.18 3h3x h LYS 410 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3h3x h LYS 410 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3h3x h LYS 410 CO 0.05 0.00 -0.85 1.28 -1.08 0.00 0.00 179.45 178.85 3h3x n LEU 411 N -2.63 0.41 -3.69 2.94 4.77 -0.37 -4.97 117.00 113.46 3h3x n LEU 411 Ca -0.01 -0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 3h3x n LEU 411 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3h3x n LEU 411 CO 0.09 0.10 -0.08 -0.24 -1.33 0.00 0.00 177.39 175.93 3h3x n SER 412 N -1.47 -2.09 -4.22 -1.43 2.88 0.23 -5.02 113.62 102.50 3h3x n SER 412 Ca 0.01 -0.86 -0.18 0.00 -1.33 0.00 0.00 58.87 56.51 3h3x n SER 412 Cb 0.23 -3.95 -0.11 0.00 -0.75 0.00 0.00 64.21 59.62 3h3x n SER 412 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3h3x s VAL 413 N -3.65 1.26 0.66 2.46 -7.23 -0.74 -5.04 120.40 108.13 3h3x s VAL 413 Ca 0.10 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 3h3x s VAL 413 Cb -0.03 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.46 3h3x s VAL 413 CO 0.82 -0.39 1.05 -2.16 -0.31 0.00 0.00 175.10 174.11 3h3x s PRO 414 N -2.51 3.23 0.36 4.82 0.04 -1.26 -4.73 135.00 134.94 3h3x s PRO 414 Ca 0.07 0.71 0.15 0.00 0.04 0.00 0.00 61.00 61.96 3h3x s PRO 414 Cb -0.06 -2.04 1.04 0.00 0.04 0.00 0.00 34.50 33.48 3h3x s PRO 414 CO 0.03 -0.83 1.72 0.00 0.04 0.00 0.00 177.00 177.95 3h3x h ALA 415 N -0.51 2.03 0.00 8.56 0.00 -1.98 -0.47 119.26 126.88 3h3x h ALA 415 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3h3x h ALA 415 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3h3x h ALA 415 CO 0.61 -0.53 0.00 1.79 0.00 0.00 0.00 179.25 181.13 3h3x h THR 416 N 0.43 0.00 0.00 0.00 1.35 -2.00 -1.12 112.91 111.57 3h3x h THR 416 Ca 0.67 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 3h3x h THR 416 Cb 1.52 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3h3x h THR 416 CO -0.45 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.82 3h3x n ALA 417 N -2.01 2.06 0.27 6.62 0.00 -0.18 -2.67 120.51 124.60 3h3x n ALA 417 Ca -0.02 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.48 3h3x n ALA 417 Cb 0.12 -1.35 0.42 0.00 0.00 0.00 0.00 19.45 18.64 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 -6.15 0.00 3.38 -1.36 -3.36 115.31 107.82 3h3x h LEU 418 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3h3x h LEU 418 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3h3x h LEU 418 CO 0.00 0.00 3.04 1.41 0.09 0.00 0.00 178.44 182.98 3h3x n HIS 419 N -3.02 3.62 -3.75 1.13 8.25 -1.09 -3.98 115.22 116.38 3h3x n HIS 419 Ca 0.03 -2.97 -0.02 0.00 -0.26 0.00 0.00 57.72 54.50 3h3x n HIS 419 Cb 0.42 -2.55 -0.00 0.00 1.12 0.00 0.00 29.99 28.97 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 3.23 -0.10 0.23 0.41 1.04 -1.26 -3.67 113.70 113.58 3h3x s SER 420 Ca 0.47 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.46 3h3x s SER 420 Cb 0.13 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.83 3h3x s SER 420 CO -0.08 -0.72 1.80 0.74 0.98 0.00 0.00 173.24 175.96 3h3x h THR 421 N 2.00 1.26 -0.79 2.02 2.02 -0.64 0.10 112.91 118.88 3h3x h THR 421 Ca -0.26 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 3h3x h THR 421 Cb 1.22 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 3h3x h THR 421 CO 0.28 0.33 0.43 0.25 0.37 0.00 0.00 175.52 177.18 3h3x h LEU 422 N 1.15 0.99 -0.10 2.58 5.85 -1.73 -1.38 115.31 122.66 3h3x h LEU 422 Ca 0.27 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3h3x h LEU 422 Cb 0.19 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3h3x h LEU 422 CO -0.02 0.81 -0.03 1.23 -0.34 0.00 0.00 178.44 180.08 3h3x h GLY 423 N 1.10 0.21 0.26 3.75 0.00 -1.61 0.01 103.07 106.79 3h3x h GLY 423 Ca 0.28 -0.18 0.17 0.00 0.00 0.00 0.00 47.33 47.60 3h3x h GLY 423 CO -0.04 0.16 0.61 -0.09 0.00 0.00 0.00 176.54 177.18 3h3x h ARG 424 N -0.14 0.73 -0.06 4.80 2.43 -0.72 0.57 114.38 121.99 3h3x h ARG 424 Ca 0.02 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3h3x h ARG 424 Cb 0.45 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3h3x h ARG 424 CO 0.01 0.49 -0.45 1.15 -1.51 0.00 0.00 179.97 179.65 3h3x h THR 425 N 0.76 1.41 -0.76 0.20 2.02 -1.04 -3.20 112.91 112.29 3h3x h THR 425 Ca 0.53 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 3h3x h THR 425 Cb 0.84 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.57 3h3x h THR 425 CO -0.31 0.54 0.31 0.00 0.37 0.00 0.00 175.52 176.43 3h3x h ALA 426 N 0.41 1.10 -0.86 6.16 0.00 -0.15 -2.96 119.26 122.97 3h3x h ALA 426 Ca -0.04 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.75 3h3x h ALA 426 Cb 1.12 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3h3x h ALA 426 CO 0.09 0.64 0.53 0.00 0.00 0.00 0.00 179.25 180.52 3h3x h ALA 427 N 1.23 1.20 -1.01 0.00 0.00 0.05 -0.13 119.26 120.60 3h3x h ALA 427 Ca 0.25 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3h3x h ALA 427 Cb 0.20 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3h3x h ALA 427 CO -0.02 0.26 0.66 -0.09 0.00 0.00 0.00 179.25 180.06 3h3x h ARG 428 N 0.96 1.22 -0.02 0.00 2.43 -1.51 -0.68 114.38 116.78 3h3x h ARG 428 Ca 0.38 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 59.23 3h3x h ARG 428 Cb 0.20 -0.28 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3h3x h ARG 428 CO -0.18 0.81 -0.98 0.78 -1.51 0.00 0.00 179.97 178.89 3h3x h GLY 429 N 1.26 0.70 0.28 2.80 0.00 -1.28 -2.58 103.07 104.25 3h3x h GLY 429 Ca 0.41 -1.18 0.02 0.00 0.00 0.00 0.00 47.33 46.58 3h3x h GLY 429 CO -0.14 1.05 -0.41 -2.22 0.00 0.00 0.00 176.54 174.82 3h3x h ILE 430 N 0.37 0.17 0.00 2.60 2.04 -0.51 -1.76 117.51 120.41 3h3x h ILE 430 Ca -0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 3h3x h ILE 430 Cb 1.62 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3h3x h ILE 430 CO 0.19 0.00 -0.25 1.05 0.00 0.00 0.00 178.15 179.13 3h3x h GLU 431 N -0.64 0.00 -0.33 2.37 4.11 -1.15 -2.02 114.58 116.92 3h3x h GLU 431 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3h3x h GLU 431 Cb 0.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3h3x h GLU 431 CO -0.24 0.25 0.21 1.15 0.07 0.00 0.00 179.01 180.45 3h3x h THR 432 N 0.00 1.10 -0.45 -1.06 2.02 -1.18 -1.24 112.91 112.11 3h3x h THR 432 Ca -0.00 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3h3x h THR 432 Cb 0.45 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3h3x h THR 432 CO 0.03 0.10 0.30 0.00 0.37 0.00 0.00 175.52 176.32 3h3x h ALA 433 N 1.10 1.77 0.11 6.16 0.00 -0.61 -1.17 119.26 126.62 3h3x h ALA 433 Ca 0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 3h3x h ALA 433 Cb -0.02 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h3x h ALA 433 CO -0.02 0.19 -1.19 0.82 0.00 0.00 0.00 179.25 179.04 3h3x h ILE 434 N 0.53 1.47 0.29 0.00 2.04 -1.14 -1.86 117.51 118.83 3h3x h ILE 434 Ca 0.17 -2.91 -0.01 0.00 1.00 0.00 0.00 64.86 63.11 3h3x h ILE 434 Cb 0.05 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3h3x h ILE 434 CO -0.04 0.85 -0.14 0.58 0.00 0.00 0.00 178.15 179.40 3h3x h VAL 435 N 0.11 0.75 -0.73 1.67 2.07 -0.94 -2.71 116.25 116.46 3h3x h VAL 435 Ca -0.13 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 67.29 3h3x h VAL 435 Cb 1.90 0.89 -0.13 0.00 -1.52 0.00 0.00 31.29 32.43 3h3x h VAL 435 CO 0.20 0.06 -0.10 0.00 0.02 0.00 0.00 177.57 177.74 3h3x h ALA 437 N 1.71 1.00 0.00 0.00 0.00 -1.10 -2.81 119.26 118.06 3h3x h ALA 437 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3h3x h ALA 437 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h3x h ALA 437 CO -0.71 0.00 -0.97 0.09 0.00 0.00 0.00 179.25 177.66 3h3x n ASN 438 N -2.85 0.87 -0.00 0.00 3.02 0.39 -4.68 115.26 112.00 3h3x n ASN 438 Ca -0.01 -0.88 -0.09 0.00 -0.03 0.00 0.00 54.58 53.57 3h3x n ASN 438 Cb 0.14 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.34 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 0.00 -0.12 -0.55 3.52 2.86 -1.14 -1.29 114.93 118.21 3h3x h MET 439 Ca 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3h3x h MET 439 Cb 0.48 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 3h3x h MET 439 CO 0.00 -0.08 0.29 1.49 1.06 0.00 0.00 176.91 179.67 3h3x h GLU 440 N -0.13 0.77 -0.04 1.72 4.81 -1.83 0.24 114.58 120.11 3h3x h GLU 440 Ca 0.08 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3h3x h GLU 440 Cb 0.24 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3h3x h GLU 440 CO -0.20 0.60 -0.14 -0.22 -0.73 0.00 0.00 179.01 178.32 3h3x h LYS 441 N 0.73 -0.20 -0.59 1.92 3.64 -1.78 -1.41 116.57 118.88 3h3x h LYS 441 Ca 0.19 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3h3x h LYS 441 Cb 0.06 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3h3x h LYS 441 CO -0.03 -0.14 0.27 -1.49 -2.27 0.00 0.00 179.45 175.79 3h3x h TRP 442 N -0.21 0.87 -0.50 1.91 6.55 -0.77 -1.79 115.95 122.00 3h3x h TRP 442 Ca 0.06 -0.05 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 3h3x h TRP 442 Cb 0.30 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 3h3x h TRP 442 CO -0.22 0.68 0.30 0.82 -1.05 0.00 0.00 178.44 178.97 3h3x h ILE 443 N 0.81 1.16 -0.96 1.49 2.04 -0.42 -2.50 117.51 119.12 3h3x h ILE 443 Ca 0.20 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3h3x h ILE 443 Cb 0.15 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3h3x h ILE 443 CO -0.02 0.16 0.61 0.50 0.00 0.00 0.00 178.15 179.40 3h3x h LYS 444 N 0.67 1.28 -0.30 2.37 3.64 -1.05 0.34 116.57 123.52 3h3x h LYS 444 Ca 0.18 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3h3x h LYS 444 Cb -0.01 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.51 3h3x h LYS 444 CO -0.03 0.87 0.14 1.49 -2.27 0.00 0.00 179.45 179.65 3h3x h GLU 445 N 1.31 0.29 -0.14 1.90 4.81 -1.07 -2.71 114.58 118.97 3h3x h GLU 445 Ca 0.35 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.43 3h3x h GLU 445 Cb -0.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3h3x h GLU 445 CO -0.07 0.19 -0.41 1.98 -0.73 0.00 0.00 179.01 179.98 3h3x h MET 446 N 0.30 0.52 -0.55 1.92 4.05 -1.18 -2.65 114.93 117.34 3h3x h MET 446 Ca 0.13 -0.37 0.11 0.00 -0.28 0.00 0.00 59.70 59.28 3h3x h MET 446 Cb 0.05 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 30.83 3h3x h MET 446 CO -0.10 0.99 0.02 0.00 0.23 0.00 0.00 176.91 178.05 3h3x h ALA 447 N 0.52 0.55 -0.10 0.39 0.00 -0.88 -1.28 119.26 118.46 3h3x h ALA 447 Ca -0.01 0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3h3x h ALA 447 Cb 1.03 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3h3x h ALA 447 CO 0.09 -0.38 -0.79 -0.44 0.00 0.00 0.00 179.25 177.73 3h3x h ASP 448 N 0.13 0.73 0.95 0.00 3.32 -1.54 -2.92 116.42 117.09 3h3x h ASP 448 Ca 0.29 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 3h3x h ASP 448 Cb 0.44 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3h3x h ASP 448 CO -0.46 1.27 -0.46 -1.28 -1.72 0.00 0.00 179.24 176.60 3h3x h SER 449 N 0.41 -1.08 0.15 6.45 0.87 -1.14 -1.86 113.55 117.35 3h3x h SER 449 Ca -0.05 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3h3x h SER 449 Cb 1.40 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 3h3x h SER 449 CO 0.15 -0.74 0.00 0.61 -0.53 0.00 0.00 176.83 176.32 3h3x n GLY 450 N -1.46 -0.54 0.08 5.77 0.00 -0.51 -1.50 105.19 107.03 3h3x n GLY 450 Ca -0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.80 3h3x n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n ALA 451 N -1.27 1.89 0.02 4.61 0.00 -0.98 -4.16 120.51 120.62 3h3x n ALA 451 Ca 0.04 -0.75 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 3h3x n ALA 451 Cb 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 3h3x n ALA 451 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3h3x h LYS 452 N 0.00 0.26 -3.19 0.00 1.57 -0.47 -3.47 116.57 111.27 3h3x h LYS 452 Ca -0.25 -0.45 -0.18 0.00 -1.87 0.00 0.00 60.65 57.90 3h3x h LYS 452 Cb 1.72 0.17 -0.27 0.00 0.08 0.00 0.00 32.23 33.93 3h3x h LYS 452 CO 0.04 1.21 -0.48 0.34 -0.57 0.00 0.00 179.45 179.99 3h3x s ASP 453 N -7.05 -0.22 -0.25 0.86 -1.08 -0.56 -5.07 116.67 103.29 3h3x s ASP 453 Ca -0.19 0.43 0.12 0.00 -0.52 0.00 0.00 52.55 52.39 3h3x s ASP 453 Cb 0.04 0.41 0.51 0.00 -1.46 0.00 0.00 42.92 42.42 3h3x s ASP 453 CO 0.78 -0.10 1.45 -0.46 0.52 0.00 0.00 175.17 177.36 3h3x n ASN 454 N 3.33 2.93 -4.76 -0.34 2.04 -1.26 -3.56 115.26 113.64 3h3x n ASN 454 Ca -0.16 -3.51 -0.41 0.00 -0.44 0.00 0.00 54.58 50.05 3h3x n ASN 454 Cb 0.57 -0.60 -0.02 0.00 -2.53 0.00 0.00 39.78 37.19 3h3x n ASN 454 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3h3x s THR 455 N -3.11 2.57 0.00 5.53 2.01 -1.26 -4.88 115.64 116.50 3h3x s THR 455 Ca 0.44 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.95 3h3x s THR 455 Cb 0.38 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.56 3h3x s THR 455 CO 0.03 0.10 0.00 -0.11 -0.69 0.00 0.00 174.62 173.95 3h3x n LEU 456 N 1.63 0.00 -3.70 4.42 7.94 -1.26 -4.42 117.00 121.60 3h3x n LEU 456 Ca 0.04 -0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 3h3x n LEU 456 Cb 0.40 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.22 3h3x n LEU 456 CO 0.61 0.00 -0.15 0.00 -1.11 0.00 0.00 177.39 176.74 3h3x s ALA 458 N 1.75 3.52 0.46 0.00 0.00 0.56 -4.94 121.76 123.11 3h3x s ALA 458 Ca -0.05 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 3h3x s ALA 458 Cb -0.11 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 3h3x s ALA 458 CO -0.08 0.23 1.05 0.15 0.00 0.00 0.00 175.76 177.11 3h3x s LYS 459 N -3.46 3.87 0.21 0.00 1.02 -1.26 -4.68 119.74 115.44 3h3x s LYS 459 Ca 0.47 1.43 -0.18 0.00 0.02 0.00 0.00 55.97 57.71 3h3x s LYS 459 Cb -0.11 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3h3x s LYS 459 CO 0.28 -0.38 0.55 1.67 -0.92 0.00 0.00 175.35 176.55 3h3x s TRP 460 N -1.87 -0.10 -0.01 3.18 1.48 -1.26 -4.93 118.94 115.44 3h3x s TRP 460 Ca 0.65 -0.25 0.04 0.00 -1.06 0.00 0.00 56.10 55.47 3h3x s TRP 460 Cb -0.19 0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 32.54 3h3x s TRP 460 CO 0.23 -0.97 -0.12 -1.21 -4.06 0.00 0.00 176.95 170.82 3h3x s GLU 461 N -3.89 0.98 -0.07 3.25 2.02 -1.26 -5.12 118.70 114.62 3h3x s GLU 461 Ca 0.10 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 3h3x s GLU 461 Cb -0.02 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 3h3x s GLU 461 CO -0.01 0.26 1.32 1.41 0.02 0.00 0.00 175.26 178.26 3h3x s MET 462 N -0.29 4.28 0.46 1.61 -2.45 -1.26 -4.85 119.30 116.80 3h3x s MET 462 Ca 0.05 1.80 -0.09 0.00 -1.25 0.00 0.00 55.69 56.19 3h3x s MET 462 Cb -0.05 -3.66 -0.05 0.00 1.25 0.00 0.00 34.83 32.32 3h3x s MET 462 CO -0.00 -0.59 0.82 -1.25 1.05 0.00 0.00 175.02 175.04 3h3x s PRO 463 N 2.80 3.70 0.27 4.11 0.04 -1.26 -4.95 135.00 139.71 3h3x s PRO 463 Ca 0.59 0.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.09 3h3x s PRO 463 Cb -0.26 -2.33 0.49 0.00 0.04 0.00 0.00 34.50 32.44 3h3x s PRO 463 CO 0.22 -0.17 1.85 0.93 0.04 0.00 0.00 177.00 179.87 3h3x h GLU 464 N 0.75 0.99 -2.43 4.56 4.39 -1.95 -3.36 114.58 117.53 3h3x h GLU 464 Ca -0.47 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.11 3h3x h GLU 464 Cb 1.19 -0.22 -0.25 0.00 -0.10 0.00 0.00 28.75 29.37 3h3x h GLU 464 CO 0.63 0.66 -0.25 -2.00 -1.16 0.00 0.00 179.01 176.88 3h3x s GLU 465 N -5.99 0.44 0.16 2.33 2.56 -1.26 0.18 118.70 117.12 3h3x s GLU 465 Ca -0.12 1.02 -0.24 0.00 0.00 0.00 0.00 54.97 55.62 3h3x s GLU 465 Cb 0.21 0.22 0.07 0.00 2.00 0.00 0.00 34.13 36.64 3h3x s GLU 465 CO 0.81 -0.19 1.02 0.45 -0.56 0.00 0.00 175.26 176.79 3h3x s SER 466 N 2.01 -0.08 0.08 -1.70 0.15 -0.69 -4.99 113.70 108.48 3h3x s SER 466 Ca -0.07 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.09 3h3x s SER 466 Cb -0.09 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 3h3x s SER 466 CO -0.15 -0.90 -0.08 -1.59 1.20 0.00 0.00 173.24 171.73 3h3x s LYS 467 N -2.70 0.74 0.06 5.44 -2.85 -1.26 -0.12 119.74 119.05 3h3x s LYS 467 Ca 0.17 -1.12 -0.18 0.00 -1.00 0.00 0.00 55.97 53.84 3h3x s LYS 467 Cb -0.01 -0.29 0.04 0.00 -2.06 0.00 0.00 37.83 35.50 3h3x s LYS 467 CO 0.03 0.02 0.41 0.20 0.10 0.00 0.00 175.35 176.12 3h3x s GLY 468 N -2.47 -0.28 -0.04 0.59 0.00 -0.52 -4.09 107.32 100.51 3h3x s GLY 468 Ca 0.04 0.24 0.05 0.00 0.00 0.00 0.00 44.72 45.04 3h3x s GLY 468 CO -0.02 -0.02 -0.19 0.54 0.00 0.00 0.00 173.10 173.40 3h3x s VAL 469 N -2.79 1.57 -0.20 1.40 0.11 -1.26 -1.23 120.40 118.01 3h3x s VAL 469 Ca -0.03 -0.81 -0.04 0.00 -2.93 0.00 0.00 61.98 58.17 3h3x s VAL 469 Cb -0.00 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 3h3x s VAL 469 CO -0.05 0.45 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.30 3h3x s GLY 470 N -0.11 1.64 -0.06 6.54 0.00 0.02 -4.25 107.32 111.10 3h3x s GLY 470 Ca -0.01 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.69 3h3x s GLY 470 CO 0.02 0.23 -0.10 1.08 0.00 0.00 0.00 173.10 174.33 3h3x s LEU 471 N 1.06 2.97 -0.06 0.66 1.43 -1.26 -1.57 118.68 121.91 3h3x s LEU 471 Ca 0.01 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 3h3x s LEU 471 Cb -0.15 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.47 3h3x s LEU 471 CO 0.00 0.35 0.34 0.00 0.23 0.00 0.00 176.35 177.27 3h3x s ALA 472 N -0.73 -0.85 -0.58 4.21 0.00 0.03 -4.92 121.76 118.93 3h3x s ALA 472 Ca 0.11 0.62 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 3h3x s ALA 472 Cb -0.11 -0.19 0.14 0.00 0.00 0.00 0.00 23.12 22.96 3h3x s ALA 472 CO 0.01 -0.23 0.52 -0.51 0.00 0.00 0.00 175.76 175.56 3h3x s ASP 473 N -0.72 6.21 0.93 0.00 1.11 -1.17 0.12 116.67 123.14 3h3x s ASP 473 Ca -0.08 -1.98 -0.12 0.00 0.18 0.00 0.00 52.55 50.55 3h3x s ASP 473 Cb -0.04 -2.18 0.15 0.00 1.07 0.00 0.00 42.92 41.92 3h3x s ASP 473 CO 0.03 -0.78 1.11 0.00 1.18 0.00 0.00 175.17 176.71 3h3x s ALA 474 N 1.30 1.52 0.46 5.23 0.00 -0.43 -4.82 121.76 125.03 3h3x s ALA 474 Ca 0.06 -0.40 0.29 0.00 0.00 0.00 0.00 51.96 51.91 3h3x s ALA 474 Cb -0.26 -3.08 1.36 0.00 0.00 0.00 0.00 23.12 21.14 3h3x s ALA 474 CO 0.00 -2.42 1.74 -1.35 0.00 0.00 0.00 175.76 173.73 3h3x h PRO 475 N -1.59 0.17 -0.01 0.00 0.11 -1.94 -1.43 132.00 127.30 3h3x h PRO 475 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h3x h PRO 475 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3h3x h PRO 475 CO 0.60 0.11 -0.46 0.54 -0.21 0.00 0.00 178.00 178.58 3h3x n ARG 476 N -4.45 0.97 0.00 1.05 1.74 -1.26 -4.39 116.66 110.32 3h3x n ARG 476 Ca 0.29 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 3h3x n ARG 476 Cb 1.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 1.41 0.86 3.66 -0.13 0.00 -0.54 -2.96 105.19 107.49 3h3x n GLY 477 Ca 0.10 -1.98 -0.50 0.00 0.00 0.00 0.00 46.02 43.63 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 0.75 -2.66 4.61 0.00 -1.26 -1.31 120.51 119.63 3h3x n ALA 478 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 3h3x n ALA 478 Cb 0.00 -2.47 -0.16 0.00 0.00 0.00 0.00 19.45 16.81 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 4.52 2.03 -0.09 0.00 2.96 0.12 -2.84 118.68 125.37 3h3x s LEU 479 Ca 0.96 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 54.37 3h3x s LEU 479 Cb -0.76 -1.23 0.04 0.00 0.50 0.00 0.00 46.19 44.74 3h3x s LEU 479 CO 0.53 0.24 0.22 -0.94 -1.32 0.00 0.00 176.35 175.08 3h3x s SER 480 N -0.24 -0.23 -0.08 3.68 1.04 -0.71 -0.79 113.70 116.37 3h3x s SER 480 Ca 0.00 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.91 3h3x s SER 480 Cb -0.12 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 3h3x s SER 480 CO 0.02 -0.14 -0.09 -1.00 0.98 0.00 0.00 173.24 173.00 3h3x s HIS 481 N 0.99 2.87 -0.09 5.02 3.76 -0.61 -1.11 115.29 126.12 3h3x s HIS 481 Ca -0.07 -0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 54.66 3h3x s HIS 481 Cb -0.09 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.89 3h3x s HIS 481 CO -0.06 0.16 -0.05 -1.58 -0.85 0.00 0.00 174.74 172.36 3h3x s TRP 482 N -0.46 1.10 -0.03 1.40 0.52 -0.27 -0.80 118.94 120.41 3h3x s TRP 482 Ca 0.06 -0.46 0.07 0.00 0.02 0.00 0.00 56.10 55.79 3h3x s TRP 482 Cb -0.12 -1.00 -0.02 0.00 -1.15 0.00 0.00 33.47 31.19 3h3x s TRP 482 CO 0.02 -0.39 -0.23 -1.50 0.02 0.00 0.00 176.95 174.87 3h3x s ILE 483 N 1.61 1.83 -0.21 2.03 2.07 -0.36 -0.75 121.20 127.42 3h3x s ILE 483 Ca 0.01 -0.98 -0.02 0.00 -1.41 0.00 0.00 60.65 58.25 3h3x s ILE 483 Cb -0.13 -1.53 0.01 0.00 0.13 0.00 0.00 42.46 40.94 3h3x s ILE 483 CO -0.05 0.52 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.27 3h3x s ARG 484 N -0.43 3.16 -0.19 3.50 0.52 0.00 -1.44 118.95 124.08 3h3x s ARG 484 Ca 0.06 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 3h3x s ARG 484 Cb -0.10 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3h3x s ARG 484 CO 0.00 -0.24 0.09 0.42 0.02 0.00 0.00 175.30 175.59 3h3x s ILE 485 N 1.40 5.07 -0.01 1.52 1.01 0.83 0.06 121.20 131.08 3h3x s ILE 485 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3h3x s ILE 485 Cb -0.14 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.04 3h3x s ILE 485 CO -0.06 0.46 0.00 -0.75 0.00 0.00 0.00 174.94 174.59 3h3x s LYS 486 N 0.30 0.04 -1.70 2.79 2.20 -0.12 -1.70 119.74 121.54 3h3x s LYS 486 Ca 0.06 0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.69 3h3x s LYS 486 Cb -0.12 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 3h3x s LYS 486 CO -0.01 -0.04 0.20 0.41 -0.36 0.00 0.00 175.35 175.54 3h3x n GLY 487 N 3.42 -0.50 2.63 5.54 0.00 0.13 -1.03 105.19 115.39 3h3x n GLY 487 Ca -0.17 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.32 -1.38 -4.38 1.61 5.02 -0.47 -4.97 118.16 110.25 3h3x n LYS 488 Ca -0.20 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 56.72 3h3x n LYS 488 Cb 0.67 -5.06 -0.10 0.00 -0.02 0.00 0.00 35.03 30.51 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 -2.73 1.44 -0.17 1.97 -0.14 -0.19 -4.54 119.74 115.38 3h3x s LYS 489 Ca 0.00 -1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 52.62 3h3x s LYS 489 Cb 0.00 -1.06 -0.04 0.00 -1.68 0.00 0.00 37.83 35.06 3h3x s LYS 489 CO 0.00 0.07 1.67 0.42 -0.76 0.00 0.00 175.35 176.74 3h3x s ILE 490 N -3.06 3.61 -0.14 2.17 1.01 -0.40 -0.95 121.20 123.45 3h3x s ILE 490 Ca 0.27 0.71 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 3h3x s ILE 490 Cb 0.03 -3.58 -0.25 0.00 0.01 0.00 0.00 42.46 38.67 3h3x s ILE 490 CO 0.10 -0.20 0.31 -0.67 0.00 0.00 0.00 174.94 174.48 3h3x n ASP 491 N 8.22 2.09 -3.81 3.58 2.03 0.11 -0.40 116.55 128.37 3h3x n ASP 491 Ca 0.19 0.22 -0.12 0.00 0.52 0.00 0.00 54.79 55.60 3h3x n ASP 491 Cb 0.44 -0.86 -0.11 0.00 -0.72 0.00 0.00 41.12 39.87 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 -7.00 -0.16 -0.05 1.67 2.47 -1.09 -4.85 114.94 105.92 3h3x s ASN 492 Ca -0.24 0.23 -0.02 0.00 0.42 0.00 0.00 52.86 53.25 3h3x s ASN 492 Cb 0.07 0.37 0.04 0.00 -1.45 0.00 0.00 41.25 40.28 3h3x s ASN 492 CO 0.74 -0.20 0.10 0.12 -3.72 0.00 0.00 177.10 174.14 3h3x s PHE 493 N -0.45 -0.06 -0.06 0.43 2.19 -1.26 -0.82 117.98 117.96 3h3x s PHE 493 Ca -0.05 0.37 0.03 0.00 0.33 0.00 0.00 56.93 57.60 3h3x s PHE 493 Cb -0.04 -0.27 0.01 0.00 -1.31 0.00 0.00 43.02 41.41 3h3x s PHE 493 CO 0.01 -0.18 -0.14 -0.65 1.83 0.00 0.00 175.22 176.09 3h3x s GLN 494 N 1.70 1.77 -0.18 10.12 -1.52 0.07 -4.67 119.66 126.96 3h3x s GLN 494 Ca -0.02 -0.50 -0.07 0.00 -1.95 0.00 0.00 55.36 52.82 3h3x s GLN 494 Cb -0.12 -1.47 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 3h3x s GLN 494 CO -0.04 0.11 0.06 -0.51 -0.25 0.00 0.00 175.29 174.66 3h3x s LEU 495 N 0.42 3.82 -0.19 2.90 1.02 -1.26 -1.11 118.68 124.27 3h3x s LEU 495 Ca -0.11 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.15 3h3x s LEU 495 Cb -0.14 -1.96 0.03 0.00 0.02 0.00 0.00 46.19 44.14 3h3x s LEU 495 CO 0.03 0.19 -0.15 -0.69 0.02 0.00 0.00 176.35 175.75 3h3x s VAL 496 N 0.29 1.91 0.13 -1.59 1.01 -0.27 -5.04 120.40 116.85 3h3x s VAL 496 Ca 0.04 -1.03 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3h3x s VAL 496 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3h3x s VAL 496 CO 0.00 0.35 -0.23 -0.69 0.00 0.00 0.00 175.10 174.53 3h3x s VAL 497 N 1.31 2.48 0.24 2.92 1.01 -1.26 -1.74 120.40 125.35 3h3x s VAL 497 Ca 0.01 -1.71 -0.07 0.00 0.00 0.00 0.00 61.98 60.22 3h3x s VAL 497 Cb -0.15 -2.12 0.25 0.00 0.00 0.00 0.00 36.38 34.36 3h3x s VAL 497 CO -0.10 0.07 1.65 -0.65 0.00 0.00 0.00 175.10 176.07 3h3x h PRO 498 N 3.74 0.14 0.00 2.72 0.10 -1.78 0.17 132.00 137.09 3h3x h PRO 498 Ca -0.50 -0.01 -0.03 0.00 0.10 0.00 0.00 66.00 65.56 3h3x h PRO 498 Cb 1.17 -0.03 -0.00 0.00 0.10 0.00 0.00 31.00 32.24 3h3x h PRO 498 CO 0.42 0.09 -0.15 0.77 0.10 0.00 0.00 178.00 179.24 3h3x h SER 499 N 0.14 0.00 -0.21 -2.05 0.02 -1.86 -1.13 113.55 108.47 3h3x h SER 499 Ca 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3h3x h SER 499 Cb 0.70 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3h3x h SER 499 CO -0.60 0.15 0.09 0.74 -1.14 0.00 0.00 176.83 176.07 3h3x h THR 500 N 0.00 1.15 -0.18 -2.27 2.02 -0.90 0.20 112.91 112.93 3h3x h THR 500 Ca -0.00 -0.43 0.03 0.00 0.77 0.00 0.00 66.41 66.78 3h3x h THR 500 Cb 0.50 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3h3x h THR 500 CO 0.02 0.14 -0.00 -0.50 0.37 0.00 0.00 175.52 175.55 3h3x h TRP 501 N 0.20 -0.02 0.18 3.16 4.06 -0.67 -2.65 115.95 120.21 3h3x h TRP 501 Ca 0.07 0.01 -0.27 0.00 2.06 0.00 0.00 58.89 60.76 3h3x h TRP 501 Cb 0.14 0.03 0.03 0.00 -1.00 0.00 0.00 29.16 28.37 3h3x h TRP 501 CO -0.02 -0.03 -1.18 -0.91 -3.56 0.00 0.00 178.44 172.74 3h3x h ASN 502 N 0.05 0.72 -0.12 -3.49 2.35 -1.20 -3.39 115.58 110.50 3h3x h ASN 502 Ca 0.08 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 3h3x h ASN 502 Cb 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.24 3h3x h ASN 502 CO -0.15 1.57 0.00 0.18 -1.65 0.00 0.00 177.43 177.38 3h3x n LEU 503 N -3.89 2.23 -4.46 1.61 4.32 0.05 -1.57 117.00 115.29 3h3x n LEU 503 Ca -0.15 -1.88 -0.30 0.00 -0.02 0.00 0.00 56.01 53.66 3h3x n LEU 503 Cb 0.97 -0.08 0.26 0.00 -1.62 0.00 0.00 43.42 42.95 3h3x n LEU 503 CO 0.56 0.55 0.52 -0.83 -1.22 0.00 0.00 177.39 176.97 3h3x s GLY 504 N -0.92 1.51 0.10 -0.72 0.00 -1.00 -4.77 107.32 101.52 3h3x s GLY 504 Ca 0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 3h3x s GLY 504 CO 0.06 0.11 0.14 -1.55 0.00 0.00 0.00 173.10 171.86 3h3x n PRO 505 N -5.14 0.15 -1.46 2.90 -0.04 -1.26 -4.55 135.00 125.60 3h3x n PRO 505 Ca 0.12 -0.28 -0.36 0.00 -0.04 0.00 0.00 63.50 62.94 3h3x n PRO 505 Cb 0.59 -0.13 0.09 0.00 -0.04 0.00 0.00 33.50 34.02 3h3x n PRO 505 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h3x n ARG 506 N -1.28 0.71 -1.30 0.54 1.74 -1.26 -4.28 116.66 111.52 3h3x n ARG 506 Ca 0.02 0.31 -0.13 0.00 -0.77 0.00 0.00 57.85 57.28 3h3x n ARG 506 Cb 0.07 -2.47 0.08 0.00 -1.02 0.00 0.00 32.46 29.11 3h3x n ARG 506 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3x n GLY 507 N 0.79 -0.19 0.39 -0.13 0.00 -0.93 -4.30 105.19 100.82 3h3x n GLY 507 Ca 0.15 -1.86 0.21 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 -1.14 2.48 -0.15 4.61 0.00 -1.92 0.16 119.26 123.30 3h3x h ALA 508 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h3x h ALA 508 Cb 0.60 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h3x h ALA 508 CO 0.17 -0.71 0.00 1.04 0.00 0.00 0.00 179.25 179.75 3h3x n GLN 509 N -4.27 1.72 -1.06 0.00 6.02 -1.26 -4.91 117.38 113.62 3h3x n GLN 509 Ca 0.10 -1.08 -0.02 0.00 -0.01 0.00 0.00 57.00 55.99 3h3x n GLN 509 Cb 0.65 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.50 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 1.13 0.56 3.70 1.08 0.00 0.55 -5.02 105.19 107.20 3h3x n GLY 510 Ca 0.16 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.75 7.22 0.47 1.61 -4.77 -1.26 -4.78 116.67 112.42 3h3x s ASP 511 Ca 0.00 1.49 -0.24 0.00 -3.30 0.00 0.00 52.55 50.50 3h3x s ASP 511 Cb 0.00 -2.53 -0.08 0.00 -1.09 0.00 0.00 42.92 39.22 3h3x s ASP 511 CO 0.00 -0.33 1.23 0.29 0.70 0.00 0.00 175.17 177.06 3h3x n LYS 512 N 4.47 1.70 -1.46 2.11 5.02 -1.26 -2.19 118.16 126.56 3h3x n LYS 512 Ca 0.06 0.61 -0.30 0.00 -2.02 0.00 0.00 58.31 56.67 3h3x n LYS 512 Cb 0.50 -2.37 0.11 0.00 -0.02 0.00 0.00 35.03 33.24 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 -0.72 4.12 0.19 4.39 1.04 -1.26 -4.68 113.70 116.78 3h3x s SER 513 Ca 0.65 1.31 -0.17 0.00 0.48 0.00 0.00 55.95 58.22 3h3x s SER 513 Cb -0.48 -2.02 0.17 0.00 0.10 0.00 0.00 66.02 63.79 3h3x s SER 513 CO 0.55 -2.21 1.61 -0.65 0.98 0.00 0.00 173.24 173.52 3h3x h PRO 514 N -1.25 -0.10 -0.81 4.02 0.11 -1.77 0.26 132.00 132.45 3h3x h PRO 514 Ca -0.48 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3h3x h PRO 514 Cb 1.28 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 3h3x h PRO 514 CO 0.58 -0.06 0.40 -0.24 -0.21 0.00 0.00 178.00 178.47 3h3x h VAL 515 N -0.10 1.25 -0.26 3.15 3.04 -1.64 0.49 116.25 122.18 3h3x h VAL 515 Ca 0.25 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 3h3x h VAL 515 Cb 0.50 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.98 3h3x h VAL 515 CO -0.62 0.30 0.11 -0.33 -1.01 0.00 0.00 177.57 176.02 3h3x h GLU 516 N 1.15 0.38 -0.40 4.17 5.08 -1.67 -0.22 114.58 123.07 3h3x h GLU 516 Ca 0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3h3x h GLU 516 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3h3x h GLU 516 CO -0.04 0.40 0.21 1.49 -1.00 0.00 0.00 179.01 180.07 3h3x h GLU 517 N 0.28 0.57 -0.35 2.33 4.57 -0.23 -2.99 114.58 118.76 3h3x h GLU 517 Ca 0.09 -0.08 0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3h3x h GLU 517 Cb 0.15 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3h3x h GLU 517 CO -0.01 0.48 0.23 0.00 -1.18 0.00 0.00 179.01 178.54 3h3x h ALA 518 N 1.06 1.82 0.00 2.92 0.00 0.29 -2.15 119.26 123.20 3h3x h ALA 518 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3h3x h ALA 518 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h3x h ALA 518 CO -0.02 0.14 -0.34 -0.07 0.00 0.00 0.00 179.25 178.97 3h3x h LEU 519 N 0.41 0.00 -9.62 0.00 3.38 -0.89 -3.31 115.31 105.28 3h3x h LEU 519 Ca 0.14 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.58 3h3x h LEU 519 Cb 0.04 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.85 3h3x h LEU 519 CO -0.03 0.34 1.04 -0.38 0.09 0.00 0.00 178.44 179.50 3h3x n ILE 520 N -3.71 0.09 -0.24 1.22 2.08 -0.81 -1.39 119.36 116.60 3h3x n ILE 520 Ca -0.01 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.28 3h3x n ILE 520 Cb 0.44 -2.02 0.00 0.00 -0.75 0.00 0.00 39.64 37.30 3h3x n ILE 520 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3h3x n GLY 521 N 4.04 0.86 3.67 7.39 0.00 -0.24 -4.73 105.19 116.18 3h3x n GLY 521 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 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 0.61 -2.47 2.61 -1.04 -0.49 -4.65 114.28 106.85 3h3x n THR 522 Ca 0.00 -0.11 -0.36 0.00 -2.04 0.00 0.00 64.05 61.54 3h3x n THR 522 Cb 0.00 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.39 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 3.93 3.99 -0.28 -2.82 0.04 -1.26 -0.84 135.00 137.77 3h3x s PRO 523 Ca 0.89 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.49 3h3x s PRO 523 Cb -0.55 -2.42 0.08 0.00 0.04 0.00 0.00 34.50 31.64 3h3x s PRO 523 CO 0.45 -0.30 0.00 0.42 0.04 0.00 0.00 177.00 177.61 3h3x s ILE 524 N -1.69 1.59 0.13 0.56 -1.09 0.14 -4.69 121.20 116.14 3h3x s ILE 524 Ca 0.61 -1.54 -0.14 0.00 -2.23 0.00 0.00 60.65 57.35 3h3x s ILE 524 Cb -0.23 -1.99 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 3h3x s ILE 524 CO 0.28 -0.34 1.56 0.00 -1.23 0.00 0.00 174.94 175.20 3h3x h ALA 525 N 7.90 0.56 -3.27 9.38 0.00 -1.86 0.12 119.26 132.08 3h3x h ALA 525 Ca -0.14 -0.28 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 3h3x h ALA 525 Cb 1.05 -0.15 -0.37 0.00 0.00 0.00 0.00 17.79 18.32 3h3x h ALA 525 CO 0.45 0.37 -0.79 0.34 0.00 0.00 0.00 179.25 179.63 3h3x s ASP 526 N -6.29 1.75 0.45 0.00 2.15 -1.26 -3.87 116.67 109.59 3h3x s ASP 526 Ca -0.13 -0.19 0.18 0.00 0.43 0.00 0.00 52.55 52.84 3h3x s ASP 526 Cb 0.10 -0.63 1.07 0.00 -0.30 0.00 0.00 42.92 43.16 3h3x s ASP 526 CO 0.81 -0.13 1.98 -0.65 -0.17 0.00 0.00 175.17 177.01 3h3x h PRO 527 N 8.01 0.00 0.00 4.34 0.11 -2.01 -1.90 132.00 140.54 3h3x h PRO 527 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h3x h PRO 527 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3h3x h PRO 527 CO 0.36 0.21 -0.52 1.63 -0.21 0.00 0.00 178.00 179.47 3h3x n LYS 528 N -4.06 0.26 -3.37 1.05 5.02 -1.26 -4.31 118.16 111.49 3h3x n LYS 528 Ca -0.02 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.11 3h3x n LYS 528 Cb 0.28 -1.68 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 3h3x n LYS 528 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h3x n ARG 529 N -2.07 1.24 -1.48 1.97 1.74 -0.73 -5.02 116.66 112.31 3h3x n ARG 529 Ca 0.04 -3.75 -0.39 0.00 -0.77 0.00 0.00 57.85 52.97 3h3x n ARG 529 Cb 0.43 -1.70 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 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 1.57 3.89 -0.12 5.56 -0.04 -1.15 -4.47 135.00 140.24 3h3x n PRO 530 Ca 0.25 -2.50 0.21 0.00 -0.04 0.00 0.00 63.50 61.42 3h3x n PRO 530 Cb 0.47 -2.77 0.64 0.00 -0.04 0.00 0.00 33.50 31.79 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 2.94 0.69 -0.86 0.52 3.04 -1.96 -1.97 116.25 118.65 3h3x h VAL 531 Ca 0.83 -0.05 -0.03 0.00 -1.01 0.00 0.00 66.70 66.45 3h3x h VAL 531 Cb 0.30 0.53 -0.04 0.00 -2.01 0.00 0.00 31.29 30.07 3h3x h VAL 531 CO 1.72 0.03 0.43 -0.33 -1.01 0.00 0.00 177.57 178.41 3h3x h GLU 532 N 0.14 1.23 -0.40 4.17 3.07 -1.84 -1.08 114.58 119.87 3h3x h GLU 532 Ca 0.35 -0.17 0.08 0.00 -0.50 0.00 0.00 59.36 59.13 3h3x h GLU 532 Cb 1.20 -0.23 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 3h3x h GLU 532 CO -0.05 0.93 -0.07 0.82 -1.40 0.00 0.00 179.01 179.24 3h3x h ILE 533 N 1.22 0.63 -0.65 3.13 2.04 -1.66 -2.50 117.51 119.72 3h3x h ILE 533 Ca 0.30 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.17 3h3x h ILE 533 Cb 0.09 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 3h3x h ILE 533 CO -0.04 0.01 0.42 -0.07 0.00 0.00 0.00 178.15 178.46 3h3x h LEU 534 N 0.03 0.70 -0.32 1.44 3.38 -1.37 -1.04 115.31 118.14 3h3x h LEU 534 Ca 0.20 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3h3x h LEU 534 Cb 0.29 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3h3x h LEU 534 CO -0.39 0.50 -0.12 0.03 0.09 0.00 0.00 178.44 178.54 3h3x h ARG 535 N 0.83 -0.06 -0.04 1.13 3.08 -0.78 0.23 114.38 118.77 3h3x h ARG 535 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3h3x h ARG 535 Cb -0.03 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3h3x h ARG 535 CO -0.08 -0.04 -0.06 1.15 -1.07 0.00 0.00 179.97 179.87 3h3x h THR 536 N -0.06 1.41 0.09 2.04 2.02 -1.30 -1.80 112.91 115.31 3h3x h THR 536 Ca 0.16 -1.32 0.02 0.00 0.77 0.00 0.00 66.41 66.04 3h3x h THR 536 Cb 0.30 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 3h3x h THR 536 CO -0.36 0.36 -0.21 0.58 0.37 0.00 0.00 175.52 176.26 3h3x h VAL 537 N -0.40 0.53 -0.48 3.16 2.07 -0.98 -2.50 116.25 117.66 3h3x h VAL 537 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3h3x h VAL 537 Cb 0.61 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3h3x h VAL 537 CO 0.01 0.00 0.32 0.45 0.02 0.00 0.00 177.57 178.37 3h3x h HIS 538 N -0.38 0.48 -0.36 1.57 -0.00 -0.60 -1.95 115.15 113.91 3h3x h HIS 538 Ca 0.03 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.48 3h3x h HIS 538 Cb 0.41 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 3h3x h HIS 538 CO -0.21 0.27 0.25 0.00 -0.00 0.00 0.00 177.93 178.24 3h3x h ALA 539 N 1.73 2.06 0.00 2.45 0.00 -0.85 0.29 119.26 124.94 3h3x h ALA 539 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h3x h ALA 539 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h3x h ALA 539 CO -0.05 -0.13 0.00 1.19 0.00 0.00 0.00 179.25 180.26 3h3x n PHE 540 N -4.47 0.00 -3.45 0.00 3.72 -0.73 -4.68 117.46 107.85 3h3x n PHE 540 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 3h3x n PHE 540 Cb 0.28 -0.46 0.06 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.46 -5.40 -4.75 4.37 2.03 0.10 -4.90 116.55 106.55 3h3x n ASP 541 Ca 0.06 -0.82 -0.41 0.00 0.52 0.00 0.00 54.79 54.14 3h3x n ASP 541 Cb 0.23 -4.50 -0.02 0.00 -0.72 0.00 0.00 41.12 36.11 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 -5.13 4.31 -0.25 -0.67 0.02 -1.26 -4.96 135.00 127.06 3h3x s PRO 542 Ca 0.39 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.63 3h3x s PRO 542 Cb -0.09 -3.12 0.08 0.00 0.02 0.00 0.00 34.50 31.40 3h3x s PRO 542 CO 0.79 -0.34 0.07 0.00 -0.33 0.00 0.00 177.00 177.18 3h3x h ILE 544 N 6.50 1.33 -0.46 0.00 1.08 -1.27 -1.67 117.51 123.02 3h3x h ILE 544 Ca -0.16 -3.04 -0.10 0.00 -0.39 0.00 0.00 64.86 61.17 3h3x h ILE 544 Cb 1.07 2.73 -0.02 0.00 -3.07 0.00 0.00 36.82 37.53 3h3x h ILE 544 CO 0.40 0.81 -0.12 0.00 -0.69 0.00 0.00 178.15 178.55 3h3x h ALA 545 N 0.82 0.92 0.34 1.87 0.00 -1.82 -1.73 119.26 119.66 3h3x h ALA 545 Ca -0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3h3x h ALA 545 Cb 1.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3h3x h ALA 545 CO 0.13 0.62 -0.17 0.00 0.00 0.00 0.00 179.25 179.84 3h3x h GLY 547 N -0.46 0.73 0.09 0.00 0.00 -1.05 -3.26 103.07 99.11 3h3x h GLY 547 Ca -0.05 -0.37 -0.38 0.00 0.00 0.00 0.00 47.33 46.53 3h3x h GLY 547 CO 0.08 0.35 -2.40 -0.62 0.00 0.00 0.00 176.54 173.94 3h3x n VAL 548 N -4.34 1.52 -0.06 4.60 0.31 -0.67 -4.47 118.33 115.23 3h3x n VAL 548 Ca 0.03 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3h3x n VAL 548 Cb 0.17 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 3h3x n VAL 548 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51