#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2u n ASP 40 N 0.00 -1.84 -0.16 1.96 -0.08 -1.26 -4.88 116.55 110.29 3h2u n ASP 40 Ca 0.00 0.01 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 3h2u n ASP 40 Cb 0.00 -1.15 -0.07 0.00 2.34 0.00 0.00 41.12 42.23 3h2u n ASP 40 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3h2u n PRO 41 N -3.13 0.76 0.11 -0.67 -0.04 -1.26 -2.62 135.00 128.15 3h2u n PRO 41 Ca 0.04 -0.33 0.06 0.00 -0.04 0.00 0.00 63.50 63.22 3h2u n PRO 41 Cb 0.57 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.61 3h2u n PRO 41 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3h2u h GLU 42 N 0.80 0.00 0.08 0.54 4.57 -1.99 -2.72 114.58 115.86 3h2u h GLU 42 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 3h2u h GLU 42 Cb 0.55 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3h2u h GLU 42 CO 0.00 0.21 -0.93 1.49 -1.18 0.00 0.00 179.01 178.60 3h2u h GLU 43 N 0.00 0.17 -0.40 1.92 4.57 -1.94 -2.88 114.58 116.02 3h2u h GLU 43 Ca -0.05 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 57.92 3h2u h GLU 43 Cb 1.27 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 29.89 3h2u h GLU 43 CO 0.03 1.14 -0.17 0.82 -1.18 0.00 0.00 179.01 179.65 3h2u h ILE 44 N -0.57 0.46 -0.49 2.32 2.04 -1.61 -0.69 117.51 118.97 3h2u h ILE 44 Ca -0.20 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3h2u h ILE 44 Cb 1.50 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3h2u h ILE 44 CO 0.03 0.00 0.06 0.08 0.00 0.00 0.00 178.15 178.32 3h2u h ARG 45 N -0.09 0.78 -0.56 2.37 0.11 -1.60 -1.90 114.38 113.49 3h2u h ARG 45 Ca 0.20 -0.18 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 3h2u h ARG 45 Cb 0.40 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.35 3h2u h ARG 45 CO -0.47 0.75 -0.02 1.57 0.10 0.00 0.00 179.97 181.90 3h2u h LYS 46 N 0.74 0.99 0.17 0.08 5.09 -1.10 0.99 116.57 123.54 3h2u h LYS 46 Ca 0.15 -0.31 -0.01 0.00 0.09 0.00 0.00 60.65 60.57 3h2u h LYS 46 Cb 0.37 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.61 3h2u h LYS 46 CO 0.01 0.99 -0.08 0.00 -2.09 0.00 0.00 179.45 178.27 3h2u h ARG 47 N 0.91 -0.22 -1.17 0.07 3.08 -0.98 -0.75 114.38 115.31 3h2u h ARG 47 Ca 0.16 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.57 3h2u h ARG 47 Cb 0.56 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.55 3h2u h ARG 47 CO 0.03 -0.15 0.75 -0.07 -1.07 0.00 0.00 179.97 179.47 3h2u h LEU 48 N -0.25 0.34 0.05 3.04 3.38 -1.34 0.84 115.31 121.38 3h2u h LEU 48 Ca -0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h2u h LEU 48 Cb 0.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3h2u h LEU 48 CO 0.04 -0.05 -0.02 -0.08 0.09 0.00 0.00 178.44 178.42 3h2u h GLU 49 N 0.24 -0.07 -0.48 1.13 4.81 -0.66 -2.78 114.58 116.77 3h2u h GLU 49 Ca 0.70 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.97 3h2u h GLU 49 Cb 2.02 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 31.38 3h2u h GLU 49 CO -0.35 0.22 0.25 1.25 -0.73 0.00 0.00 179.01 179.65 3h2u h HIS 50 N -0.36 0.45 -0.94 0.92 2.76 0.67 -1.72 115.15 116.93 3h2u h HIS 50 Ca -0.01 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.28 3h2u h HIS 50 Cb 0.32 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.08 3h2u h HIS 50 CO 0.02 0.23 0.60 1.15 -1.30 0.00 0.00 177.93 178.63 3h2u h THR 51 N 0.48 0.97 -0.02 6.26 2.02 -1.25 -1.59 112.91 119.79 3h2u h THR 51 Ca 0.21 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3h2u h THR 51 Cb 0.11 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 3h2u h THR 51 CO -0.14 0.18 -0.02 -0.33 0.37 0.00 0.00 175.52 175.57 3h2u h GLU 52 N 0.96 0.04 -0.87 6.66 4.39 -1.06 0.21 114.58 124.91 3h2u h GLU 52 Ca 0.44 -0.02 0.20 0.00 0.34 0.00 0.00 59.36 60.32 3h2u h GLU 52 Cb 0.39 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.93 3h2u h GLU 52 CO -0.20 0.55 0.38 0.00 -1.16 0.00 0.00 179.01 178.58 3h2u h ARG 53 N -0.46 0.41 0.37 2.33 3.08 -1.01 0.41 114.38 119.51 3h2u h ARG 53 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3h2u h ARG 53 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3h2u h ARG 53 CO 0.01 0.27 -0.18 1.96 -1.07 0.00 0.00 179.97 180.96 3h2u h GLN 54 N 0.42 -0.48 -0.38 0.04 1.08 -1.09 -1.30 115.11 113.41 3h2u h GLN 54 Ca 0.53 0.03 0.11 0.00 -1.45 0.00 0.00 58.65 57.87 3h2u h GLN 54 Cb 0.96 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.48 3h2u h GLN 54 CO -0.50 -0.16 0.33 0.35 -0.95 0.00 0.00 178.83 177.90 3h2u h PHE 55 N -0.90 0.00 -0.02 2.96 3.04 0.04 -2.43 116.94 119.63 3h2u h PHE 55 Ca -0.05 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.90 3h2u h PHE 55 Cb 0.54 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.05 3h2u h PHE 55 CO 0.03 0.00 -0.36 0.54 -2.02 0.00 0.00 178.31 176.50 3h2u n ARG 56 N -4.07 1.49 -1.48 1.11 1.74 0.08 -4.63 116.66 110.89 3h2u n ARG 56 Ca 0.06 -1.03 -0.40 0.00 -0.77 0.00 0.00 57.85 55.72 3h2u n ARG 56 Cb 0.51 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3h2u n ARG 56 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3h2u n ASN 57 N 0.10 5.28 -4.36 0.55 5.15 -0.49 -4.79 115.26 116.70 3h2u n ASN 57 Ca 0.09 -2.71 -0.45 0.00 -0.60 0.00 0.00 54.58 50.90 3h2u n ASN 57 Cb 0.42 -1.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.09 3h2u n ASN 57 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3h2u s ARG 58 N 3.09 3.15 -0.07 1.20 1.81 -1.26 -4.76 118.95 122.10 3h2u s ARG 58 Ca 0.54 -1.57 0.12 0.00 -1.72 0.00 0.00 55.73 53.11 3h2u s ARG 58 Cb 0.15 -4.34 0.34 0.00 -0.45 0.00 0.00 34.95 30.64 3h2u s ARG 58 CO -0.06 -1.49 1.27 2.89 -0.68 0.00 0.00 175.30 177.23 3h2u n ARG 59 N 5.87 2.75 -3.82 3.54 1.85 -1.26 -4.08 116.66 121.51 3h2u n ARG 59 Ca -0.05 -2.30 -0.36 0.00 -1.00 0.00 0.00 57.85 54.14 3h2u n ARG 59 Cb 0.43 -1.45 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 3h2u n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3h2u s LYS 60 N -1.81 3.78 0.24 2.89 1.02 -1.26 -1.19 119.74 123.41 3h2u s LYS 60 Ca 0.27 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 55.95 3h2u s LYS 60 Cb 0.20 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3h2u s LYS 60 CO 0.10 -0.06 -0.14 0.96 -0.92 0.00 0.00 175.35 175.29 3h2u s ILE 61 N 1.29 2.84 -0.10 2.17 -4.36 0.10 -0.09 121.20 123.05 3h2u s ILE 61 Ca 0.05 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.38 3h2u s ILE 61 Cb -0.15 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.11 3h2u s ILE 61 CO 0.04 -0.30 -0.17 -0.22 0.24 0.00 0.00 174.94 174.53 3h2u s LEU 62 N -3.30 1.82 -0.25 0.37 2.96 0.56 -1.90 118.68 118.93 3h2u s LEU 62 Ca 0.28 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3h2u s LEU 62 Cb -0.07 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.50 3h2u s LEU 62 CO 0.15 0.05 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.61 3h2u s ILE 63 N 0.77 3.49 0.23 6.68 1.01 -0.56 -1.27 121.20 131.55 3h2u s ILE 63 Ca -0.11 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 59.96 3h2u s ILE 63 Cb -0.16 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 3h2u s ILE 63 CO 0.02 0.25 -0.04 -0.13 0.00 0.00 0.00 174.94 175.05 3h2u s ARG 64 N 1.45 2.22 0.00 2.79 0.52 -0.09 -0.69 118.95 125.15 3h2u s ARG 64 Ca 0.03 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 53.90 3h2u s ARG 64 Cb -0.16 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.14 3h2u s ARG 64 CO -0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.11 3h2u n GLY 65 N -0.51 0.83 3.73 -3.53 0.00 -0.63 -0.88 105.19 104.20 3h2u n GLY 65 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3h2u n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h2u s LEU 66 N 0.00 3.20 0.46 0.99 1.43 -0.37 -4.49 118.68 119.89 3h2u s LEU 66 Ca 0.00 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 3h2u s LEU 66 Cb 0.00 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 3h2u s LEU 66 CO 0.00 -2.29 1.28 -2.84 0.23 0.00 0.00 176.35 172.73 3h2u s PRO 67 N -4.23 3.65 0.55 1.29 0.02 -1.26 -4.68 135.00 130.35 3h2u s PRO 67 Ca 0.70 2.07 0.31 0.00 0.02 0.00 0.00 61.00 64.10 3h2u s PRO 67 Cb -0.25 -2.50 1.47 0.00 0.02 0.00 0.00 34.50 33.24 3h2u s PRO 67 CO 0.49 -0.73 1.89 0.78 -0.33 0.00 0.00 177.00 179.10 3h2u h GLY 68 N 2.12 0.00 -2.82 0.52 0.00 -1.92 0.22 103.07 101.18 3h2u h GLY 68 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 3h2u h GLY 68 CO 0.60 0.00 0.10 2.09 0.00 0.00 0.00 176.54 179.34 3h2u n ASP 69 N -4.14 4.42 -4.75 0.19 5.75 -1.26 -4.89 116.55 111.87 3h2u n ASP 69 Ca 0.16 -3.18 -0.39 0.00 -0.01 0.00 0.00 54.79 51.37 3h2u n ASP 69 Cb 0.89 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 40.35 3h2u n ASP 69 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h2u s VAL 70 N -2.94 2.05 0.22 2.12 0.11 0.78 -5.02 120.40 117.71 3h2u s VAL 70 Ca 0.50 0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.69 3h2u s VAL 70 Cb 0.40 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 3h2u s VAL 70 CO 0.11 0.00 -0.11 0.42 -3.33 0.00 0.00 175.10 172.19 3h2u s THR 71 N -1.28 3.02 0.23 5.04 -4.23 -1.26 -5.01 115.64 112.15 3h2u s THR 71 Ca 0.70 -1.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.26 3h2u s THR 71 Cb -0.41 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.08 3h2u s THR 71 CO 0.50 -0.22 1.76 0.78 -0.54 0.00 0.00 174.62 176.90 3h2u h ASN 72 N 2.62 0.38 -1.02 3.99 2.35 -1.98 0.23 115.58 122.15 3h2u h ASN 72 Ca -0.45 0.08 0.25 0.00 -0.55 0.00 0.00 56.30 55.63 3h2u h ASN 72 Cb 1.22 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 39.50 3h2u h ASN 72 CO 0.56 0.20 0.62 -0.61 -1.65 0.00 0.00 177.43 176.55 3h2u h GLN 73 N 0.53 0.52 -0.57 0.81 5.75 -1.99 0.23 115.11 120.39 3h2u h GLN 73 Ca 0.36 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.76 3h2u h GLN 73 Cb 0.45 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3h2u h GLN 73 CO -0.31 0.34 0.07 0.93 -2.65 0.00 0.00 178.83 177.21 3h2u h GLU 74 N 0.54 0.94 -0.06 1.69 5.08 -0.94 0.09 114.58 121.91 3h2u h GLU 74 Ca 0.63 -0.24 -0.17 0.00 -1.00 0.00 0.00 59.36 58.58 3h2u h GLU 74 Cb 1.30 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3h2u h GLU 74 CO -0.41 0.88 -0.62 0.28 -1.00 0.00 0.00 179.01 178.14 3h2u h VAL 75 N 0.88 1.37 -0.99 3.13 2.07 -0.44 -1.65 116.25 120.61 3h2u h VAL 75 Ca 0.18 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.74 3h2u h VAL 75 Cb 0.42 2.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.48 3h2u h VAL 75 CO 0.01 0.59 0.65 0.45 0.02 0.00 0.00 177.57 179.30 3h2u h HIS 76 N 0.10 1.24 0.39 1.57 3.86 -0.71 -1.13 115.15 120.47 3h2u h HIS 76 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3h2u h HIS 76 Cb 1.29 -0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3h2u h HIS 76 CO 0.12 0.77 -0.19 -0.44 0.86 0.00 0.00 177.93 179.05 3h2u h ASP 77 N 1.32 -0.45 -1.01 2.45 3.32 -0.90 -1.81 116.42 119.34 3h2u h ASP 77 Ca 0.37 -0.02 0.27 0.00 0.02 0.00 0.00 57.03 57.67 3h2u h ASP 77 Cb -0.13 0.12 -0.13 0.00 0.22 0.00 0.00 39.33 39.41 3h2u h ASP 77 CO -0.09 -0.27 0.60 0.25 -1.72 0.00 0.00 179.24 178.01 3h2u h LEU 78 N -0.60 0.61 -3.76 1.55 5.85 -0.88 -0.89 115.31 117.19 3h2u h LEU 78 Ca -0.05 0.15 -0.45 0.00 0.84 0.00 0.00 57.88 58.37 3h2u h LEU 78 Cb 0.44 0.06 -0.25 0.00 0.37 0.00 0.00 40.66 41.29 3h2u h LEU 78 CO 0.09 0.02 0.30 0.18 -0.34 0.00 0.00 178.44 178.70 3h2u n LEU 79 N -4.92 5.90 0.27 2.25 4.77 -0.47 -4.70 117.00 120.11 3h2u n LEU 79 Ca 0.29 -3.95 0.15 0.00 -0.03 0.00 0.00 56.01 52.46 3h2u n LEU 79 Cb 0.84 -0.75 0.75 0.00 -2.33 0.00 0.00 43.42 41.93 3h2u n LEU 79 CO 0.15 1.33 0.98 0.77 -1.33 0.00 0.00 177.39 179.30 3h2u h SER 80 N 1.35 0.00 0.43 -1.43 4.64 -0.31 -1.53 113.55 116.71 3h2u h SER 80 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3h2u h SER 80 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 3h2u h SER 80 CO 0.94 0.09 -0.02 0.47 -0.87 0.00 0.00 176.83 177.45 3h2u n ASP 81 N -3.42 0.08 -4.70 4.97 10.43 -1.26 -4.85 116.55 117.79 3h2u n ASP 81 Ca -0.01 -0.37 -0.23 0.00 2.57 0.00 0.00 54.79 56.74 3h2u n ASP 81 Cb 0.25 -0.20 -0.07 0.00 1.84 0.00 0.00 41.12 42.95 3h2u n ASP 81 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3h2u s TYR 82 N -2.45 2.70 -0.39 1.24 2.02 -0.58 -5.09 117.35 114.81 3h2u s TYR 82 Ca 0.32 -0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.51 3h2u s TYR 82 Cb 0.21 -1.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.28 3h2u s TYR 82 CO 0.45 0.44 0.47 -1.21 -1.57 0.00 0.00 175.55 174.12 3h2u s GLU 83 N -3.79 3.35 -0.20 -0.62 2.02 -1.26 -5.03 118.70 113.17 3h2u s GLU 83 Ca 0.36 -0.48 -0.20 0.00 0.02 0.00 0.00 54.97 54.67 3h2u s GLU 83 Cb -0.03 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.28 3h2u s GLU 83 CO 0.22 -0.76 0.61 -0.51 0.02 0.00 0.00 175.26 174.84 3h2u s LEU 84 N 2.28 4.13 -0.04 1.80 1.43 -1.26 -1.07 118.68 125.96 3h2u s LEU 84 Ca 0.15 0.79 0.18 0.00 -1.03 0.00 0.00 54.13 54.22 3h2u s LEU 84 Cb -0.16 -2.85 -0.21 0.00 0.03 0.00 0.00 46.19 43.00 3h2u s LEU 84 CO 0.14 -0.27 0.54 0.29 0.23 0.00 0.00 176.35 177.28 3h2u n LYS 85 N 5.08 0.65 -3.65 1.70 4.76 0.33 -4.95 118.16 122.07 3h2u n LYS 85 Ca -0.02 0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 3h2u n LYS 85 Cb 0.50 -1.68 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 3h2u n LYS 85 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3h2u s TYR 86 N -2.86 -0.75 -0.08 2.13 5.04 -0.81 -4.95 117.35 115.07 3h2u s TYR 86 Ca -0.06 1.79 -0.03 0.00 -2.44 0.00 0.00 57.07 56.33 3h2u s TYR 86 Cb 0.09 0.28 0.05 0.00 0.35 0.00 0.00 41.96 42.72 3h2u s TYR 86 CO 0.83 -0.36 0.14 0.00 -1.34 0.00 0.00 175.55 174.82 3h2u s PHE 88 N 2.26 1.44 -0.30 0.00 2.19 0.28 -4.99 117.98 118.85 3h2u s PHE 88 Ca 0.04 -0.67 -0.11 0.00 0.33 0.00 0.00 56.93 56.52 3h2u s PHE 88 Cb -0.12 -1.17 -0.03 0.00 -1.31 0.00 0.00 43.02 40.39 3h2u s PHE 88 CO -0.06 -0.45 0.17 0.08 1.83 0.00 0.00 175.22 176.80 3h2u s VAL 89 N 1.48 4.94 -0.98 3.12 1.01 -1.26 -0.05 120.40 128.65 3h2u s VAL 89 Ca 0.01 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3h2u s VAL 89 Cb -0.13 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 32.90 3h2u s VAL 89 CO -0.06 0.14 1.29 -0.62 0.00 0.00 0.00 175.10 175.85 3h2u s ASP 90 N 1.68 6.59 0.43 3.32 3.68 0.22 -4.87 116.67 127.73 3h2u s ASP 90 Ca 0.06 -1.82 0.15 0.00 2.13 0.00 0.00 52.55 53.07 3h2u s ASP 90 Cb -0.17 -2.48 1.05 0.00 -1.45 0.00 0.00 42.92 39.88 3h2u s ASP 90 CO 0.08 -1.25 1.96 0.11 0.13 0.00 0.00 175.17 176.20 3h2u h LYS 91 N 9.19 0.39 0.00 4.34 1.57 -1.93 0.24 116.57 130.37 3h2u h LYS 91 Ca 0.19 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3h2u h LYS 91 Cb 1.01 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3h2u h LYS 91 CO 1.26 0.26 0.00 -0.92 -0.57 0.00 0.00 179.45 179.47 3h2u h TYR 92 N 0.40 0.00 0.00 -1.35 3.20 -1.90 -3.19 116.97 114.13 3h2u h TYR 92 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3h2u h TYR 92 Cb 0.67 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.94 3h2u h TYR 92 CO -0.00 0.00 -0.90 1.63 -1.64 0.00 0.00 178.16 177.25 3h2u n LYS 93 N -2.75 2.25 -2.60 1.82 5.02 -0.28 -5.00 118.16 116.62 3h2u n LYS 93 Ca 0.02 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.13 3h2u n LYS 93 Cb 0.32 -1.08 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 3h2u n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2u n GLY 94 N 1.55 -0.09 3.35 0.72 0.00 -0.08 -4.67 105.19 105.96 3h2u n GLY 94 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 3h2u n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h2u s THR 95 N -2.85 1.95 -0.07 2.61 -4.23 -1.18 -1.24 115.64 110.63 3h2u s THR 95 Ca 0.14 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 3h2u s THR 95 Cb -0.06 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.92 3h2u s THR 95 CO 0.17 -0.23 -0.05 0.00 -0.54 0.00 0.00 174.62 173.97 3h2u s ALA 96 N -1.83 0.92 -0.37 3.99 0.00 0.13 -0.61 121.76 123.99 3h2u s ALA 96 Ca 0.16 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 3h2u s ALA 96 Cb -0.07 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.43 3h2u s ALA 96 CO 0.07 -0.17 0.40 -0.06 0.00 0.00 0.00 175.76 176.00 3h2u s PHE 97 N 1.27 3.19 -0.09 0.00 0.40 0.93 -1.50 117.98 122.17 3h2u s PHE 97 Ca -0.05 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 3h2u s PHE 97 Cb -0.14 -2.77 0.01 0.00 0.51 0.00 0.00 43.02 40.63 3h2u s PHE 97 CO -0.02 -0.54 -0.18 0.08 0.70 0.00 0.00 175.22 175.26 3h2u s VAL 98 N 2.08 1.61 -0.29 -0.44 1.01 -0.80 -0.56 120.40 123.02 3h2u s VAL 98 Ca 0.12 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.28 3h2u s VAL 98 Cb -0.17 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3h2u s VAL 98 CO 0.12 0.46 0.11 -0.89 0.00 0.00 0.00 175.10 174.91 3h2u s THR 99 N 0.65 4.34 0.64 3.92 2.01 0.13 -0.72 115.64 126.61 3h2u s THR 99 Ca -0.13 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.43 3h2u s THR 99 Cb -0.16 -3.18 0.09 0.00 0.01 0.00 0.00 72.50 69.26 3h2u s THR 99 CO 0.04 0.14 0.89 -0.76 -0.69 0.00 0.00 174.62 174.23 3h2u s LEU 100 N 1.58 3.10 0.22 4.42 1.43 -0.33 0.12 118.68 129.22 3h2u s LEU 100 Ca 0.04 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 3h2u s LEU 100 Cb -0.17 -2.30 0.31 0.00 0.03 0.00 0.00 46.19 44.06 3h2u s LEU 100 CO 0.04 -1.53 1.77 0.25 0.23 0.00 0.00 176.35 177.11 3h2u h LEU 101 N -0.23 0.42 -7.97 1.79 5.85 -1.40 -3.41 115.31 110.35 3h2u h LEU 101 Ca -0.38 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3h2u h LEU 101 Cb 1.28 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3h2u h LEU 101 CO 0.45 0.24 0.31 0.54 -0.34 0.00 0.00 178.44 179.64 3h2u s ASN 102 N -5.48 -0.08 0.50 1.25 2.20 -1.26 -5.02 114.94 107.04 3h2u s ASN 102 Ca -0.13 -0.89 0.17 0.00 -0.94 0.00 0.00 52.86 51.07 3h2u s ASN 102 Cb 0.18 0.76 1.22 0.00 -2.00 0.00 0.00 41.25 41.40 3h2u s ASN 102 CO 0.76 -1.47 2.08 1.23 -2.94 0.00 0.00 177.10 176.76 3h2u h GLY 103 N 2.00 0.14 1.14 0.45 0.00 -1.86 -1.12 103.07 103.83 3h2u h GLY 103 Ca -0.27 -0.05 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 3h2u h GLY 103 CO 0.34 0.04 -0.01 0.83 0.00 0.00 0.00 176.54 177.74 3h2u h GLU 104 N 0.12 1.02 -0.23 4.80 3.07 -1.93 0.24 114.58 121.68 3h2u h GLU 104 Ca 0.11 -0.32 -0.20 0.00 -0.50 0.00 0.00 59.36 58.45 3h2u h GLU 104 Cb 0.29 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3h2u h GLU 104 CO -0.01 1.01 -0.65 1.96 -1.40 0.00 0.00 179.01 179.92 3h2u h GLN 105 N 0.93 0.84 0.09 2.33 4.20 -1.65 -1.56 115.11 120.29 3h2u h GLN 105 Ca 0.17 -0.60 0.02 0.00 0.06 0.00 0.00 58.65 58.30 3h2u h GLN 105 Cb 0.56 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 3h2u h GLN 105 CO 0.03 1.22 -0.32 0.00 -0.67 0.00 0.00 178.83 179.09 3h2u h ALA 106 N 0.62 -0.52 -0.66 3.87 0.00 -1.10 0.13 119.26 121.60 3h2u h ALA 106 Ca -0.02 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3h2u h ALA 106 Cb 1.27 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 3h2u h ALA 106 CO 0.14 -0.85 0.28 1.49 0.00 0.00 0.00 179.25 180.30 3h2u h GLU 107 N -0.52 0.46 -0.18 0.00 4.57 -0.86 0.31 114.58 118.36 3h2u h GLU 107 Ca 0.04 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 3h2u h GLU 107 Cb 0.57 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3h2u h GLU 107 CO -0.20 0.30 -0.18 0.00 -1.18 0.00 0.00 179.01 177.75 3h2u h ALA 108 N 1.44 1.36 0.08 2.92 0.00 -0.71 -0.11 119.26 124.25 3h2u h ALA 108 Ca 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h2u h ALA 108 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3h2u h ALA 108 CO -0.31 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 179.34 3h2u h ALA 109 N 1.54 -0.11 -0.11 0.00 0.00 0.92 -1.45 119.26 120.05 3h2u h ALA 109 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3h2u h ALA 109 Cb 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3h2u h ALA 109 CO 0.03 -0.33 -0.36 0.82 0.00 0.00 0.00 179.25 179.41 3h2u h ILE 110 N -0.57 0.23 0.04 0.00 2.04 -0.87 0.19 117.51 118.57 3h2u h ILE 110 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3h2u h ILE 110 Cb 0.48 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3h2u h ILE 110 CO 0.02 0.00 -0.04 0.78 0.00 0.00 0.00 178.15 178.90 3h2u h ASN 111 N -0.45 -0.11 -0.12 1.72 2.35 -1.07 -0.60 115.58 117.29 3h2u h ASN 111 Ca 0.08 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3h2u h ASN 111 Cb 0.58 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3h2u h ASN 111 CO -0.36 -0.07 0.04 0.00 -1.65 0.00 0.00 177.43 175.40 3h2u h ALA 112 N 0.86 1.75 0.00 -0.83 0.00 -1.00 -3.36 119.26 116.67 3h2u h ALA 112 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h2u h ALA 112 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h2u h ALA 112 CO -0.02 0.20 -0.40 1.19 0.00 0.00 0.00 179.25 180.23 3h2u n PHE 113 N -4.43 0.00 -1.72 0.00 3.01 0.64 -4.85 117.46 110.11 3h2u n PHE 113 Ca -0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 3h2u n PHE 113 Cb 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 3h2u n PHE 113 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3h2u n HIS 114 N -1.07 2.75 -1.04 1.38 -0.00 -0.24 -1.25 115.22 115.74 3h2u n HIS 114 Ca 0.00 0.10 -0.01 0.00 0.46 0.00 0.00 57.72 58.27 3h2u n HIS 114 Cb 0.00 -2.65 -0.01 0.00 -0.12 0.00 0.00 29.99 27.21 3h2u n HIS 114 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 3h2u n GLN 115 N 3.54 -0.52 -2.07 1.57 6.02 0.13 -4.88 117.38 121.16 3h2u n GLN 115 Ca 0.14 0.27 -0.28 0.00 -0.01 0.00 0.00 57.00 57.12 3h2u n GLN 115 Cb 0.35 -3.76 0.14 0.00 1.02 0.00 0.00 30.24 27.99 3h2u n GLN 115 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3h2u s SER 116 N -2.22 3.80 -0.07 1.08 1.04 -0.38 -4.80 113.70 112.16 3h2u s SER 116 Ca 0.00 0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.77 3h2u s SER 116 Cb 0.00 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.57 3h2u s SER 116 CO 0.00 -2.28 -0.23 -0.13 0.98 0.00 0.00 173.24 171.58 3h2u s ARG 117 N -5.62 2.49 -0.23 4.02 1.81 -1.25 -0.58 118.95 119.59 3h2u s ARG 117 Ca 0.69 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.89 3h2u s ARG 117 Cb -0.06 -2.04 0.06 0.00 -0.45 0.00 0.00 34.95 32.45 3h2u s ARG 117 CO 0.50 0.29 -0.06 -1.17 -0.68 0.00 0.00 175.30 174.17 3h2u s LEU 118 N 0.04 2.51 -1.42 2.53 2.96 0.16 -4.75 118.68 120.71 3h2u s LEU 118 Ca -0.08 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 52.63 3h2u s LEU 118 Cb -0.14 -1.18 0.04 0.00 0.50 0.00 0.00 46.19 45.41 3h2u s LEU 118 CO 0.05 -0.22 0.88 0.54 -1.32 0.00 0.00 176.35 176.28 3h2u n ARG 119 N 4.68 -5.47 -0.61 1.98 1.74 -1.26 -1.36 116.66 116.36 3h2u n ARG 119 Ca -0.12 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3h2u n ARG 119 Cb 0.44 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 3h2u n ARG 119 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h2u n GLU 120 N -4.53 0.00 -3.55 5.56 -0.58 -1.26 -5.02 120.64 111.26 3h2u n GLU 120 Ca -0.11 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.30 3h2u n GLU 120 Cb 0.59 -1.96 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 3h2u n GLU 120 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h2u s ARG 121 N -0.10 3.76 -0.27 3.49 3.00 -0.46 -5.06 118.95 123.31 3h2u s ARG 121 Ca 0.00 0.17 -0.13 0.00 0.00 0.00 0.00 55.73 55.77 3h2u s ARG 121 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 32.00 3h2u s ARG 121 CO 0.00 0.49 0.27 -2.00 0.00 0.00 0.00 175.30 174.07 3h2u s GLU 122 N -2.22 3.99 0.22 3.54 2.12 -1.26 0.36 118.70 125.45 3h2u s GLU 122 Ca 0.37 -0.15 -0.14 0.00 0.36 0.00 0.00 54.97 55.42 3h2u s GLU 122 Cb -0.13 -3.65 -0.08 0.00 0.26 0.00 0.00 34.13 30.53 3h2u s GLU 122 CO 0.20 -0.21 0.62 -0.51 -0.54 0.00 0.00 175.26 174.82 3h2u s LEU 123 N 1.86 4.23 -0.21 2.70 1.43 0.26 -4.60 118.68 124.35 3h2u s LEU 123 Ca 0.11 1.13 -0.04 0.00 -1.03 0.00 0.00 54.13 54.30 3h2u s LEU 123 Cb -0.16 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3h2u s LEU 123 CO 0.10 -0.02 -0.04 -0.55 0.23 0.00 0.00 176.35 176.07 3h2u s SER 124 N -2.00 4.39 -0.12 2.29 0.15 -0.05 0.18 113.70 118.53 3h2u s SER 124 Ca 0.45 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.78 3h2u s SER 124 Cb -0.13 -1.75 -0.00 0.00 -1.71 0.00 0.00 66.02 62.43 3h2u s SER 124 CO 0.20 0.01 -0.20 -0.69 1.20 0.00 0.00 173.24 173.76 3h2u s VAL 125 N 1.29 2.40 0.07 4.45 1.01 -1.26 -0.92 120.40 127.44 3h2u s VAL 125 Ca 0.03 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 3h2u s VAL 125 Cb -0.14 -1.97 0.09 0.00 0.00 0.00 0.00 36.38 34.36 3h2u s VAL 125 CO -0.01 0.54 0.76 -1.10 0.00 0.00 0.00 175.10 175.28 3h2u s GLN 126 N 0.49 1.03 0.22 2.72 -0.21 -0.39 -4.63 119.66 118.89 3h2u s GLN 126 Ca -0.13 -0.37 -0.32 0.00 0.02 0.00 0.00 55.36 54.57 3h2u s GLN 126 Cb -0.17 0.47 -0.12 0.00 1.00 0.00 0.00 33.01 34.20 3h2u s GLN 126 CO 0.05 -0.45 1.71 1.28 -2.12 0.00 0.00 175.29 175.76 3h2u n LEU 127 N -0.28 4.04 -4.47 2.90 4.77 -1.26 0.21 117.00 122.91 3h2u n LEU 127 Ca -0.13 1.07 -0.34 0.00 -0.03 0.00 0.00 56.01 56.58 3h2u n LEU 127 Cb 0.63 -1.58 0.10 0.00 -2.33 0.00 0.00 43.42 40.25 3h2u n LEU 127 CO 0.11 0.18 0.09 1.67 -1.33 0.00 0.00 177.39 178.11 3h2u n GLN 128 N 3.76 -0.00 -1.90 3.23 7.27 0.87 -4.64 117.38 125.97 3h2u n GLN 128 Ca 0.15 0.05 -0.29 0.00 0.07 0.00 0.00 57.00 56.98 3h2u n GLN 128 Cb 0.35 -1.93 0.09 0.00 2.41 0.00 0.00 30.24 31.16 3h2u n GLN 128 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3h2u s PRO 129 N -3.38 2.00 -0.29 3.69 0.04 -1.26 -4.95 135.00 130.85 3h2u s PRO 129 Ca 0.62 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 3h2u s PRO 129 Cb -0.27 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 3h2u s PRO 129 CO 0.62 -1.57 1.36 0.99 0.04 0.00 0.00 177.00 178.43 3h2u s THR 130 N -3.57 4.05 0.00 1.26 2.01 -1.26 -4.96 115.64 113.17 3h2u s THR 130 Ca 0.62 1.18 0.00 0.00 0.31 0.00 0.00 61.69 63.80 3h2u s THR 130 Cb -0.11 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.32 3h2u s THR 130 CO 0.49 -0.46 0.00 -0.67 -0.69 0.00 0.00 174.62 173.29 3h2u n ASP 131 N 7.83 0.00 -3.96 3.53 4.64 -1.26 -3.19 116.55 124.14 3h2u n ASP 131 Ca 0.15 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.14 3h2u n ASP 131 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 3h2u n ASP 131 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3h2u n ALA 132 N -3.00 5.07 -3.69 -1.67 0.00 -1.26 -4.63 120.51 111.32 3h2u n ALA 132 Ca 0.00 -4.04 -0.35 0.00 0.00 0.00 0.00 53.44 49.05 3h2u n ALA 132 Cb 0.00 -3.34 -0.13 0.00 0.00 0.00 0.00 19.45 15.98 3h2u n ALA 132 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h2u s LEU 133 N 1.71 4.18 0.17 0.00 0.20 -1.26 -1.61 118.68 122.07 3h2u s LEU 133 Ca 0.45 -1.45 0.04 0.00 0.69 0.00 0.00 54.13 53.87 3h2u s LEU 133 Cb 0.10 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.09 3h2u s LEU 133 CO -0.03 -0.32 0.20 -0.76 -0.29 0.00 0.00 176.35 175.16 3h2u s LEU 134 N 1.21 4.01 -0.18 -0.68 1.43 0.66 -0.73 118.68 124.41 3h2u s LEU 134 Ca -0.02 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3h2u s LEU 134 Cb -0.20 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.45 3h2u s LEU 134 CO -0.02 0.05 -0.14 0.00 0.23 0.00 0.00 176.35 176.47 3h2u s VAL 136 N 1.37 4.88 0.43 0.00 1.01 -0.56 -0.97 120.40 126.56 3h2u s VAL 136 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3h2u s VAL 136 Cb -0.15 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3h2u s VAL 136 CO -0.10 0.25 0.05 0.00 0.00 0.00 0.00 175.10 175.30 3h2u s ALA 137 N 1.69 3.29 -1.61 5.51 0.00 0.29 -1.62 121.76 129.32 3h2u s ALA 137 Ca 0.07 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3h2u s ALA 137 Cb -0.16 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3h2u s ALA 137 CO 0.08 -0.18 0.00 -1.71 0.00 0.00 0.00 175.76 173.95 3h2u n ASN 138 N -1.11 -5.39 -4.74 0.00 5.15 -0.98 -1.60 115.26 106.59 3h2u n ASN 138 Ca -0.10 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.58 3h2u n ASN 138 Cb 0.66 -4.45 0.12 0.00 -0.53 0.00 0.00 39.78 35.58 3h2u n ASN 138 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3h2u s LEU 139 N -5.32 2.86 0.27 1.20 1.43 0.10 -4.54 118.68 114.68 3h2u s LEU 139 Ca 0.00 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.67 3h2u s LEU 139 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3h2u s LEU 139 CO 0.00 -2.38 1.38 -2.84 0.23 0.00 0.00 176.35 172.74 3h2u s PRO 140 N -4.84 4.30 0.67 1.29 0.02 -1.26 -4.72 135.00 130.46 3h2u s PRO 140 Ca 0.63 2.25 0.39 0.00 0.02 0.00 0.00 61.00 64.28 3h2u s PRO 140 Cb -0.19 -3.11 2.10 0.00 0.02 0.00 0.00 34.50 33.33 3h2u s PRO 140 CO 0.57 -0.33 2.18 -1.35 -0.33 0.00 0.00 177.00 177.74 3h2u h PRO 141 N 4.54 0.00 0.00 5.54 0.11 -1.91 -0.85 132.00 139.42 3h2u h PRO 141 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h2u h PRO 141 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3h2u h PRO 141 CO 0.74 0.00 -0.94 -1.13 -0.21 0.00 0.00 178.00 176.45 3h2u n SER 142 N -3.00 0.63 -4.65 -2.05 3.41 -1.26 -4.39 113.62 102.32 3h2u n SER 142 Ca -0.03 -0.20 -0.49 0.00 -0.26 0.00 0.00 58.87 57.89 3h2u n SER 142 Cb 0.20 0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 64.79 3h2u n SER 142 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3h2u n LEU 143 N -1.93 2.59 -4.91 1.04 7.94 -0.33 -4.95 117.00 116.45 3h2u n LEU 143 Ca 0.02 1.08 -0.28 0.00 -1.11 0.00 0.00 56.01 55.73 3h2u n LEU 143 Cb 0.43 -1.32 0.08 0.00 0.53 0.00 0.00 43.42 43.13 3h2u n LEU 143 CO 0.39 -0.53 0.71 0.42 -1.11 0.00 0.00 177.39 177.28 3h2u s THR 144 N 1.27 2.21 0.28 1.96 -4.23 -1.26 -4.89 115.64 110.99 3h2u s THR 144 Ca 0.83 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 61.25 3h2u s THR 144 Cb -0.80 -3.03 0.15 0.00 1.34 0.00 0.00 72.50 70.16 3h2u s THR 144 CO 0.44 -0.04 1.83 -0.61 -0.54 0.00 0.00 174.62 175.70 3h2u h GLN 145 N -0.83 0.81 -0.19 3.99 5.75 -1.99 0.77 115.11 123.42 3h2u h GLN 145 Ca -0.45 -0.17 -0.15 0.00 -0.15 0.00 0.00 58.65 57.73 3h2u h GLN 145 Cb 1.32 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 3h2u h GLN 145 CO 0.63 0.74 -0.52 0.37 -2.65 0.00 0.00 178.83 177.40 3h2u h GLN 146 N 0.78 0.54 -0.19 1.69 4.15 -2.00 -1.64 115.11 118.46 3h2u h GLN 146 Ca 0.17 -0.33 -0.12 0.00 0.77 0.00 0.00 58.65 59.14 3h2u h GLN 146 Cb 0.30 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3h2u h GLN 146 CO -0.00 0.93 -0.41 1.96 -1.93 0.00 0.00 178.83 179.38 3h2u h GLN 147 N 0.42 0.44 -0.35 1.69 4.20 -1.77 -1.81 115.11 117.94 3h2u h GLN 147 Ca 0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.49 3h2u h GLN 147 Cb 1.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3h2u h GLN 147 CO 0.10 0.77 0.14 0.35 -0.67 0.00 0.00 178.83 179.52 3h2u h PHE 148 N 0.36 0.52 -0.61 2.96 3.57 -0.61 -1.79 116.94 121.34 3h2u h PHE 148 Ca 0.03 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3h2u h PHE 148 Cb 0.88 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 3h2u h PHE 148 CO 0.03 0.48 0.35 1.49 -2.23 0.00 0.00 178.31 178.43 3h2u h GLU 149 N 0.41 0.85 -0.51 1.11 4.81 -1.12 -1.98 114.58 118.14 3h2u h GLU 149 Ca 0.12 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3h2u h GLU 149 Cb 0.18 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 3h2u h GLU 149 CO -0.01 0.63 0.34 0.93 -0.73 0.00 0.00 179.01 180.18 3h2u h GLU 150 N 0.83 0.47 -0.23 1.92 5.08 -1.12 0.12 114.58 121.66 3h2u h GLU 150 Ca 0.22 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.37 3h2u h GLU 150 Cb 0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3h2u h GLU 150 CO -0.04 0.31 -0.58 1.25 -1.00 0.00 0.00 179.01 178.96 3h2u h LEU 151 N 0.49 0.83 0.00 1.33 5.85 -0.59 -3.35 115.31 119.86 3h2u h LEU 151 Ca 0.22 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3h2u h LEU 151 Cb 0.25 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3h2u h LEU 151 CO -0.06 1.23 -1.08 0.55 -0.34 0.00 0.00 178.44 178.74 3h2u n VAL 152 N -3.98 0.00 0.12 1.05 3.14 -0.96 -4.62 118.33 113.08 3h2u n VAL 152 Ca -0.04 -0.25 -0.02 0.00 -2.96 0.00 0.00 64.34 61.07 3h2u n VAL 152 Cb 0.64 0.62 0.13 0.00 -1.06 0.00 0.00 33.84 34.16 3h2u n VAL 152 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 3h2u h ARG 153 N 0.00 0.02 -0.28 1.45 0.11 -0.91 -3.35 114.38 111.42 3h2u h ARG 153 Ca 0.00 -0.01 0.06 0.00 0.10 0.00 0.00 59.98 60.12 3h2u h ARG 153 Cb 0.45 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 3h2u h ARG 153 CO 0.00 0.68 0.20 -1.00 0.10 0.00 0.00 179.97 179.95 3h2u h PRO 154 N 0.01 0.13 0.00 0.08 0.13 -1.82 -3.16 132.00 127.37 3h2u h PRO 154 Ca -0.01 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3h2u h PRO 154 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h2u h PRO 154 CO 0.09 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.13 3h2u n PHE 155 N -4.48 0.00 0.00 1.56 3.01 -1.26 -4.91 117.46 111.39 3h2u n PHE 155 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3h2u n PHE 155 Cb 0.27 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3h2u n PHE 155 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h2u n GLY 156 N -0.37 0.94 3.71 1.37 0.00 -1.20 -4.40 105.19 105.24 3h2u n GLY 156 Ca 0.06 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3h2u n GLY 156 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h2u s SER 157 N 0.00 7.02 0.24 1.61 0.01 -1.26 -4.81 113.70 116.51 3h2u s SER 157 Ca 0.00 2.06 -0.20 0.00 1.31 0.00 0.00 55.95 59.12 3h2u s SER 157 Cb 0.00 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.57 3h2u s SER 157 CO 0.00 -0.52 0.75 -0.76 0.41 0.00 0.00 173.24 173.12 3h2u s LEU 158 N 1.21 4.33 -0.27 2.44 1.43 -1.26 -0.89 118.68 125.67 3h2u s LEU 158 Ca 0.60 1.46 -0.06 0.00 -1.03 0.00 0.00 54.13 55.10 3h2u s LEU 158 Cb -0.30 -3.67 -0.15 0.00 0.03 0.00 0.00 46.19 42.10 3h2u s LEU 158 CO 0.29 0.01 -0.29 -0.62 0.23 0.00 0.00 176.35 175.97 3h2u n GLU 159 N 0.64 0.62 -3.81 1.70 -0.58 0.14 -4.80 120.64 114.55 3h2u n GLU 159 Ca -0.01 0.21 -0.12 0.00 -0.42 0.00 0.00 57.16 56.81 3h2u n GLU 159 Cb 0.51 -1.51 -0.11 0.00 -0.57 0.00 0.00 31.44 29.76 3h2u n GLU 159 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3h2u s ARG 160 N -2.51 0.34 -0.24 3.49 0.52 -1.19 -4.98 118.95 114.37 3h2u s ARG 160 Ca -0.37 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 54.90 3h2u s ARG 160 Cb 0.12 0.15 0.13 0.00 0.52 0.00 0.00 34.95 35.87 3h2u s ARG 160 CO 0.55 -0.06 0.45 0.00 0.02 0.00 0.00 175.30 176.25 3h2u s PHE 162 N 2.64 -0.51 0.76 0.00 -0.12 -0.45 -4.95 117.98 115.35 3h2u s PHE 162 Ca 0.08 1.21 -0.11 0.00 -0.05 0.00 0.00 56.93 58.05 3h2u s PHE 162 Cb -0.14 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.48 3h2u s PHE 162 CO -0.16 -0.25 1.08 -0.51 -0.05 0.00 0.00 175.22 175.33 3h2u s LEU 163 N 0.44 2.84 -0.28 -1.99 1.02 -1.26 -1.20 118.68 118.25 3h2u s LEU 163 Ca -0.02 1.48 -0.04 0.00 0.02 0.00 0.00 54.13 55.57 3h2u s LEU 163 Cb -0.04 -4.20 0.03 0.00 0.02 0.00 0.00 46.19 42.00 3h2u s LEU 163 CO -0.02 -1.78 0.01 -0.69 0.02 0.00 0.00 176.35 173.89 3h2u s VAL 164 N -3.08 3.32 0.23 -1.59 1.01 -0.08 -4.88 120.40 115.32 3h2u s VAL 164 Ca 0.60 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3h2u s VAL 164 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3h2u s VAL 164 CO 0.55 0.06 0.34 -0.31 0.00 0.00 0.00 175.10 175.75 3h2u s TYR 165 N 1.37 3.45 0.22 5.22 1.51 -1.26 0.37 117.35 128.22 3h2u s TYR 165 Ca -0.00 0.00 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 3h2u s TYR 165 Cb -0.18 -1.58 -0.09 0.00 -0.11 0.00 0.00 41.96 40.00 3h2u s TYR 165 CO -0.01 0.45 1.24 0.45 -1.11 0.00 0.00 175.55 176.58 3h2u s SER 166 N -3.85 6.99 0.26 2.29 0.15 -0.50 -4.86 113.70 114.17 3h2u s SER 166 Ca 0.34 2.36 -0.04 0.00 0.70 0.00 0.00 55.95 59.31 3h2u s SER 166 Cb -0.09 -2.62 0.36 0.00 -1.71 0.00 0.00 66.02 61.97 3h2u s SER 166 CO 0.29 -0.43 1.88 -0.33 1.20 0.00 0.00 173.24 175.85 3h2u h GLU 167 N 4.90 1.11 0.00 5.44 4.39 -1.98 -1.68 114.58 126.77 3h2u h GLU 167 Ca -0.45 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3h2u h GLU 167 Cb 1.22 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3h2u h GLU 167 CO 0.74 0.73 0.00 2.89 -1.16 0.00 0.00 179.01 182.21 3h2u n ARG 168 N -4.52 0.00 -0.26 2.33 1.85 -1.26 -4.43 116.66 110.36 3h2u n ARG 168 Ca 0.14 0.40 0.05 0.00 -1.00 0.00 0.00 57.85 57.45 3h2u n ARG 168 Cb 0.16 -0.93 0.29 0.00 -1.05 0.00 0.00 32.46 30.92 3h2u n ARG 168 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3h2u h THR 169 N 0.00 1.03 0.00 8.89 1.35 -1.99 -3.47 112.91 118.73 3h2u h THR 169 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3h2u h THR 169 Cb 0.00 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.46 3h2u h THR 169 CO 0.00 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 176.05 3h2u n GLY 170 N -1.41 0.60 3.85 5.82 0.00 -0.63 -4.90 105.19 108.52 3h2u n GLY 170 Ca 0.13 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3h2u n GLY 170 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h2u s GLN 171 N -0.22 3.87 0.30 1.61 -1.52 -1.26 -4.71 119.66 117.73 3h2u s GLN 171 Ca 0.00 0.34 -0.29 0.00 -1.95 0.00 0.00 55.36 53.46 3h2u s GLN 171 Cb 0.00 -3.11 -0.13 0.00 -0.22 0.00 0.00 33.01 29.56 3h2u s GLN 171 CO 0.00 0.62 1.31 0.45 -0.25 0.00 0.00 175.29 177.42 3h2u n SER 172 N 1.36 2.64 -0.54 5.90 2.88 -1.26 -1.41 113.62 123.19 3h2u n SER 172 Ca -0.11 1.18 0.08 0.00 -1.33 0.00 0.00 58.87 58.70 3h2u n SER 172 Cb 0.52 -1.45 0.30 0.00 -0.75 0.00 0.00 64.21 62.84 3h2u n SER 172 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3h2u n LYS 173 N 1.11 1.69 -0.74 -1.46 5.02 0.16 -4.83 118.16 119.10 3h2u n LYS 173 Ca 0.08 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 3h2u n LYS 173 Cb 0.34 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3h2u n LYS 173 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2u n GLY 174 N 1.07 0.62 3.14 0.72 0.00 -1.26 -4.42 105.19 105.07 3h2u n GLY 174 Ca 0.14 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3h2u n GLY 174 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h2u s TYR 175 N -2.00 0.31 0.31 1.61 1.13 -1.26 0.00 117.35 117.45 3h2u s TYR 175 Ca 0.00 -0.77 -0.04 0.00 -1.41 0.00 0.00 57.07 54.85 3h2u s TYR 175 Cb 0.00 -0.21 -0.00 0.00 -1.10 0.00 0.00 41.96 40.65 3h2u s TYR 175 CO 0.00 -0.45 0.43 0.20 -2.51 0.00 0.00 175.55 173.22 3h2u s GLY 176 N -2.78 1.33 -0.03 5.49 0.00 -0.64 -0.91 107.32 109.79 3h2u s GLY 176 Ca 0.04 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.36 3h2u s GLY 176 CO -0.10 -0.98 -0.12 -1.36 0.00 0.00 0.00 173.10 170.54 3h2u s PHE 177 N -3.36 1.18 -0.07 1.90 0.08 -0.34 -1.50 117.98 115.87 3h2u s PHE 177 Ca 0.30 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3h2u s PHE 177 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3h2u s PHE 177 CO 0.17 -0.11 -0.09 0.00 -0.10 0.00 0.00 175.22 175.10 3h2u s ALA 178 N 0.10 1.09 -0.03 5.36 0.00 -0.31 -1.34 121.76 126.62 3h2u s ALA 178 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3h2u s ALA 178 Cb -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3h2u s ALA 178 CO 0.01 -0.03 -0.23 -2.00 0.00 0.00 0.00 175.76 173.51 3h2u s GLU 179 N 0.95 2.09 0.33 0.00 2.12 0.03 -0.25 118.70 123.98 3h2u s GLU 179 Ca -0.10 -0.83 0.09 0.00 0.36 0.00 0.00 54.97 54.49 3h2u s GLU 179 Cb -0.15 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 3h2u s GLU 179 CO 0.00 0.43 0.10 0.71 -0.54 0.00 0.00 175.26 175.96 3h2u s TYR 180 N -0.34 2.67 0.23 5.30 1.51 -0.63 0.24 117.35 126.33 3h2u s TYR 180 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3h2u s TYR 180 Cb -0.11 -1.56 0.24 0.00 -0.11 0.00 0.00 41.96 40.43 3h2u s TYR 180 CO 0.01 0.40 1.59 0.52 -1.11 0.00 0.00 175.55 176.97 3h2u h MET 181 N 1.64 0.47 -6.27 -0.62 2.86 -1.32 -3.42 114.93 108.27 3h2u h MET 181 Ca -0.44 -0.25 -0.67 0.00 -2.06 0.00 0.00 59.70 56.28 3h2u h MET 181 Cb 1.25 0.01 -0.16 0.00 0.06 0.00 0.00 31.60 32.76 3h2u h MET 181 CO 0.64 0.83 -0.69 0.15 1.06 0.00 0.00 176.91 178.90 3h2u s LYS 182 N -4.14 2.59 0.43 1.72 -0.14 -1.26 -4.95 119.74 113.99 3h2u s LYS 182 Ca -0.07 -0.71 0.21 0.00 -1.36 0.00 0.00 55.97 54.05 3h2u s LYS 182 Cb 0.12 -2.53 0.97 0.00 -1.68 0.00 0.00 37.83 34.71 3h2u s LYS 182 CO 0.81 0.60 1.87 -0.22 -0.76 0.00 0.00 175.35 177.66 3h2u h LYS 183 N 4.44 0.00 -0.53 1.68 3.64 -1.95 -2.52 116.57 121.34 3h2u h LYS 183 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 3h2u h LYS 183 Cb 1.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3h2u h LYS 183 CO 0.54 0.27 0.30 0.22 -2.27 0.00 0.00 179.45 178.51 3h2u h ASP 184 N 0.00 0.65 -0.91 4.20 1.82 -1.97 -2.13 116.42 118.09 3h2u h ASP 184 Ca -0.00 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.59 3h2u h ASP 184 Cb 0.65 -0.16 -0.05 0.00 0.68 0.00 0.00 39.33 40.45 3h2u h ASP 184 CO 0.03 0.54 0.59 0.28 -1.61 0.00 0.00 179.24 179.07 3h2u h SER 185 N 0.71 0.98 -0.28 2.28 0.02 -1.66 -1.07 113.55 114.53 3h2u h SER 185 Ca 0.19 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3h2u h SER 185 Cb 0.03 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3h2u h SER 185 CO -0.03 0.67 -0.21 0.00 -1.14 0.00 0.00 176.83 176.11 3h2u h ALA 186 N 1.37 0.90 -0.18 3.77 0.00 -1.44 -0.99 119.26 122.70 3h2u h ALA 186 Ca 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h2u h ALA 186 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3h2u h ALA 186 CO -0.12 0.62 0.09 0.00 0.00 0.00 0.00 179.25 179.84 3h2u h ALA 187 N 1.10 0.23 -0.49 0.00 0.00 -0.91 -0.12 119.26 119.07 3h2u h ALA 187 Ca 0.09 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h2u h ALA 187 Cb 0.71 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3h2u h ALA 187 CO 0.05 -0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.35 3h2u h ARG 188 N 0.16 0.49 0.80 0.00 3.08 -0.91 -2.22 114.38 115.78 3h2u h ARG 188 Ca 0.06 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3h2u h ARG 188 Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3h2u h ARG 188 CO -0.01 0.33 -0.38 0.00 -1.07 0.00 0.00 179.97 178.84 3h2u h ALA 189 N 1.26 -1.07 -0.96 0.04 0.00 -1.02 -0.63 119.26 116.87 3h2u h ALA 189 Ca 0.21 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 55.15 3h2u h ALA 189 Cb 0.11 0.41 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 3h2u h ALA 189 CO -0.14 -1.09 0.48 -0.22 0.00 0.00 0.00 179.25 178.28 3h2u h LYS 190 N -1.09 0.38 -0.21 0.00 3.64 -0.94 0.25 116.57 118.60 3h2u h LYS 190 Ca -0.11 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.06 3h2u h LYS 190 Cb 0.82 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3h2u h LYS 190 CO 0.18 0.25 -0.60 1.03 -2.27 0.00 0.00 179.45 178.04 3h2u h SER 191 N 0.40 0.79 1.25 4.20 0.87 -1.19 -1.05 113.55 118.82 3h2u h SER 191 Ca 0.64 -0.45 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3h2u h SER 191 Cb 1.30 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3h2u h SER 191 CO -0.56 1.21 -0.78 0.44 -0.53 0.00 0.00 176.83 176.61 3h2u h ASP 192 N 0.52 0.00 0.43 6.23 3.45 0.55 -3.37 116.42 124.23 3h2u h ASP 192 Ca -0.00 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 3h2u h ASP 192 Cb 1.19 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.95 3h2u h ASP 192 CO 0.12 0.29 -1.60 0.18 -1.57 0.00 0.00 179.24 176.67 3h2u n LEU 193 N -2.97 0.39 -4.60 1.55 4.77 0.69 -4.52 117.00 112.31 3h2u n LEU 193 Ca -0.01 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.69 3h2u n LEU 193 Cb 0.67 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 3h2u n LEU 193 CO 0.40 -0.04 1.22 -0.22 -1.33 0.00 0.00 177.39 177.42 3h2u s LEU 194 N -4.99 3.63 0.00 2.23 2.96 -0.40 -1.97 118.68 120.14 3h2u s LEU 194 Ca -0.05 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 3h2u s LEU 194 Cb 0.11 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.26 3h2u s LEU 194 CO 0.85 -1.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.11 3h2u n GLY 195 N 4.97 0.74 3.74 7.98 0.00 -0.47 -4.99 105.19 117.16 3h2u n GLY 195 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3h2u n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h2u s LYS 196 N -0.74 4.43 -0.04 1.61 2.20 -0.83 -4.68 119.74 121.70 3h2u s LYS 196 Ca 0.00 1.97 -0.28 0.00 -0.36 0.00 0.00 55.97 57.30 3h2u s LYS 196 Cb 0.00 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.07 3h2u s LYS 196 CO 0.00 -0.19 0.88 -1.25 -0.36 0.00 0.00 175.35 174.43 3h2u s PRO 197 N -0.08 4.50 -0.23 4.03 0.04 -1.26 -0.92 135.00 141.08 3h2u s PRO 197 Ca 0.55 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 3h2u s PRO 197 Cb -0.35 -3.47 0.07 0.00 0.04 0.00 0.00 34.50 30.80 3h2u s PRO 197 CO 0.37 -0.04 0.01 -1.17 0.04 0.00 0.00 177.00 176.21 3h2u s LEU 198 N 1.05 1.91 0.00 -3.56 0.20 -0.46 -4.98 118.68 112.84 3h2u s LEU 198 Ca 0.46 -1.09 0.00 0.00 0.69 0.00 0.00 54.13 54.19 3h2u s LEU 198 Cb -0.20 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.70 3h2u s LEU 198 CO 0.23 -0.30 0.00 0.61 -0.29 0.00 0.00 176.35 176.61 3h2u n GLY 199 N 4.87 3.18 0.01 7.98 0.00 -1.26 -1.11 105.19 118.86 3h2u n GLY 199 Ca -0.09 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.79 3h2u n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h2u n PRO 200 N 14.00 1.01 -4.19 1.61 -0.04 -1.26 -4.87 135.00 141.26 3h2u n PRO 200 Ca 0.00 -0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.21 3h2u n PRO 200 Cb 0.00 -1.13 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 3h2u n PRO 200 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h2u s ARG 201 N -1.99 2.56 -0.22 0.54 1.81 -0.26 -5.12 118.95 116.27 3h2u s ARG 201 Ca 0.13 -1.28 0.02 0.00 -1.72 0.00 0.00 55.73 52.87 3h2u s ARG 201 Cb 0.06 -2.33 0.04 0.00 -0.45 0.00 0.00 34.95 32.27 3h2u s ARG 201 CO 0.10 0.35 -0.13 0.99 -0.68 0.00 0.00 175.30 175.93 3h2u s THR 202 N -2.26 1.92 0.70 0.02 2.01 -1.26 -1.35 115.64 115.41 3h2u s THR 202 Ca 0.33 -1.20 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 3h2u s THR 202 Cb -0.07 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.52 3h2u s THR 202 CO 0.22 0.19 1.12 -0.76 -0.69 0.00 0.00 174.62 174.71 3h2u s LEU 203 N 1.27 3.31 0.00 4.42 1.43 -0.10 -4.85 118.68 124.17 3h2u s LEU 203 Ca -0.02 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.17 3h2u s LEU 203 Cb -0.17 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.48 3h2u s LEU 203 CO -0.08 -1.84 -0.17 -0.47 0.23 0.00 0.00 176.35 174.01 3h2u s TYR 204 N -2.37 1.52 0.01 0.29 5.04 -0.63 -1.37 117.35 119.85 3h2u s TYR 204 Ca 0.67 -0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 3h2u s TYR 204 Cb -0.21 -0.96 -0.02 0.00 0.35 0.00 0.00 41.96 41.12 3h2u s TYR 204 CO 0.45 0.00 -0.20 0.08 -1.34 0.00 0.00 175.55 174.54 3h2u s VAL 205 N -0.52 1.58 -0.12 3.14 1.01 -1.26 -0.54 120.40 123.68 3h2u s VAL 205 Ca 0.06 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3h2u s VAL 205 Cb -0.07 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 35.01 3h2u s VAL 205 CO 0.00 0.33 0.31 -2.28 0.00 0.00 0.00 175.10 173.46 3h2u s HIS 206 N -0.60 -0.39 0.18 5.22 5.04 -0.15 -4.98 115.29 119.62 3h2u s HIS 206 Ca 0.07 0.90 -0.30 0.00 -1.54 0.00 0.00 55.06 54.19 3h2u s HIS 206 Cb -0.08 0.12 -0.08 0.00 0.04 0.00 0.00 32.58 32.58 3h2u s HIS 206 CO 0.00 -0.22 1.22 -1.58 -2.34 0.00 0.00 174.74 171.82 3h2u s TRP 207 N 0.77 3.39 -0.27 3.88 0.52 -1.26 -0.96 118.94 125.01 3h2u s TRP 207 Ca -0.05 1.38 -0.14 0.00 0.02 0.00 0.00 56.10 57.31 3h2u s TRP 207 Cb -0.06 -3.46 -0.04 0.00 -1.15 0.00 0.00 33.47 28.75 3h2u s TRP 207 CO -0.05 -1.34 0.31 0.99 0.02 0.00 0.00 176.95 176.88 3h2u s THR 208 N 0.04 5.22 0.21 2.01 2.01 0.09 -4.94 115.64 120.28 3h2u s THR 208 Ca 0.54 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.87 3h2u s THR 208 Cb -0.33 -3.64 0.15 0.00 0.01 0.00 0.00 72.50 68.68 3h2u s THR 208 CO 0.36 0.18 1.77 0.44 -0.69 0.00 0.00 174.62 176.69 3h2u h ASP 209 N 8.25 1.07 -3.44 3.53 3.32 -1.89 -3.40 116.42 123.86 3h2u h ASP 209 Ca -0.33 -0.17 -0.66 0.00 0.02 0.00 0.00 57.03 55.89 3h2u h ASP 209 Cb 1.17 -0.28 -0.25 0.00 0.22 0.00 0.00 39.33 40.20 3h2u h ASP 209 CO 0.61 0.95 -0.74 0.00 -1.72 0.00 0.00 179.24 178.34 3h2u s ALA 210 N -5.55 2.72 0.32 3.45 0.00 -1.19 -4.83 121.76 116.67 3h2u s ALA 210 Ca -0.12 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 3h2u s ALA 210 Cb 0.15 -1.24 -0.11 0.00 0.00 0.00 0.00 23.12 21.92 3h2u s ALA 210 CO 0.83 0.31 1.51 0.20 0.00 0.00 0.00 175.76 178.61 3h2u s GLY 211 N 0.11 2.52 -0.02 0.00 0.00 -1.26 -4.84 107.32 103.83 3h2u s GLY 211 Ca -0.05 1.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.89 3h2u s GLY 211 CO 0.04 2.35 0.93 1.20 0.00 0.00 0.00 173.10 177.62 3h2u s GLN 212 N -1.16 4.53 0.24 2.90 1.11 -1.26 -4.99 119.66 121.03 3h2u s GLN 212 Ca 0.58 1.32 0.07 0.00 0.01 0.00 0.00 55.36 57.34 3h2u s GLN 212 Cb -0.46 -3.46 -0.04 0.00 -1.01 0.00 0.00 33.01 28.04 3h2u s GLN 212 CO 0.53 -0.04 0.13 -0.48 0.01 0.00 0.00 175.29 175.44 3h2u s LEU 213 N 1.02 3.64 0.36 2.90 2.34 -1.26 -5.04 118.68 122.64 3h2u s LEU 213 Ca 0.49 -0.33 0.05 0.00 0.06 0.00 0.00 54.13 54.40 3h2u s LEU 213 Cb -0.20 -2.19 -0.07 0.00 -0.56 0.00 0.00 46.19 43.17 3h2u s LEU 213 CO 0.26 -0.00 0.04 0.42 -1.06 0.00 0.00 176.35 176.01 3h2u s THR 214 N -2.09 1.45 0.65 5.48 -4.23 -1.26 -4.97 115.64 110.66 3h2u s THR 214 Ca 0.32 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.17 3h2u s THR 214 Cb -0.08 -2.83 0.36 0.00 1.34 0.00 0.00 72.50 71.29 3h2u s THR 214 CO 0.23 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.75 3h2u h PRO 215 N 1.96 0.00 -0.15 3.99 0.11 -2.01 -1.39 132.00 134.51 3h2u h PRO 215 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 3h2u h PRO 215 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h2u h PRO 215 CO 0.73 0.00 -0.30 0.00 -0.21 0.00 0.00 178.00 178.22 3h2u h ALA 216 N 1.60 0.24 0.00 -0.75 0.00 -1.97 -3.22 119.26 115.17 3h2u h ALA 216 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h2u h ALA 216 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h2u h ALA 216 CO -0.00 0.27 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 3h2u h LEU 217 N 0.10 0.00 -2.60 0.00 -0.00 -1.64 -2.94 115.31 108.23 3h2u h LEU 217 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3h2u h LEU 217 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 3h2u h LEU 217 CO 0.07 0.00 0.10 -0.07 -0.00 0.00 0.00 178.44 178.54 3h2u h LEU 218 N 0.00 0.00 -9.04 1.67 3.38 -1.48 -3.41 115.31 106.43 3h2u h LEU 218 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3h2u h LEU 218 Cb 0.67 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.27 3h2u h LEU 218 CO 0.00 0.00 -0.45 -1.00 0.09 0.00 0.00 178.44 177.08 3h2u s HIS 219 N -4.30 3.29 0.49 1.13 3.76 -1.11 -4.79 115.29 113.77 3h2u s HIS 219 Ca -0.05 0.27 -0.19 0.00 -0.15 0.00 0.00 55.06 54.94 3h2u s HIS 219 Cb 0.13 -2.35 -0.08 0.00 1.11 0.00 0.00 32.58 31.38 3h2u s HIS 219 CO 0.43 -0.02 1.01 0.45 -0.85 0.00 0.00 174.74 175.76 3h2u s SER 220 N 1.27 6.45 0.00 1.40 0.15 -1.26 -4.75 113.70 116.95 3h2u s SER 220 Ca 0.09 1.79 0.09 0.00 0.70 0.00 0.00 55.95 58.63 3h2u s SER 220 Cb -0.14 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 3h2u s SER 220 CO 0.07 -0.71 0.49 0.54 1.20 0.00 0.00 173.24 174.83 3h2u n ARG 221 N -1.15 3.14 -4.17 5.44 3.00 -1.26 -4.42 116.66 117.23 3h2u n ARG 221 Ca 0.08 -0.28 -0.29 0.00 -0.01 0.00 0.00 57.85 57.35 3h2u n ARG 221 Cb 0.53 -0.98 -0.08 0.00 0.00 0.00 0.00 32.46 31.92 3h2u n ARG 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2u s LEU 223 N -2.45 2.41 -0.07 0.00 1.43 0.60 -1.77 118.68 118.83 3h2u s LEU 223 Ca 0.25 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3h2u s LEU 223 Cb -0.11 -0.04 -0.00 0.00 0.03 0.00 0.00 46.19 46.07 3h2u s LEU 223 CO 0.17 -0.39 -0.21 0.00 0.23 0.00 0.00 176.35 176.15 3h2u s VAL 225 N 0.13 2.48 0.23 0.00 1.01 0.12 -1.20 120.40 123.17 3h2u s VAL 225 Ca -0.09 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3h2u s VAL 225 Cb -0.14 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3h2u s VAL 225 CO 0.05 0.53 0.26 -0.90 0.00 0.00 0.00 175.10 175.04 3h2u n ASP 226 N 3.84 -0.70 -0.08 3.32 5.75 -0.64 -0.91 116.55 127.12 3h2u n ASP 226 Ca -0.19 -2.39 -0.01 0.00 -0.01 0.00 0.00 54.79 52.19 3h2u n ASP 226 Cb 0.52 1.43 -0.00 0.00 -1.03 0.00 0.00 41.12 42.03 3h2u n ASP 226 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3h2u n ARG 227 N -0.41 -0.08 -1.52 0.11 3.00 -1.24 -1.70 116.66 114.82 3h2u n ARG 227 Ca 0.03 0.52 -0.33 0.00 -0.01 0.00 0.00 57.85 58.05 3h2u n ARG 227 Cb 0.40 -4.05 0.08 0.00 0.00 0.00 0.00 32.46 28.89 3h2u n ARG 227 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3h2u s LEU 228 N -0.25 3.30 0.69 0.55 1.43 -1.26 -4.61 118.68 118.53 3h2u s LEU 228 Ca 0.00 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 3h2u s LEU 228 Cb 0.00 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.67 3h2u s LEU 228 CO 0.00 -2.02 1.20 -2.84 0.23 0.00 0.00 176.35 172.93 3h2u s PRO 229 N -4.12 2.37 0.22 1.29 0.02 -1.26 -4.87 135.00 128.66 3h2u s PRO 229 Ca 0.69 1.76 -0.32 0.00 0.02 0.00 0.00 61.00 63.15 3h2u s PRO 229 Cb -0.24 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 3h2u s PRO 229 CO 0.45 -1.65 1.42 -2.30 -0.33 0.00 0.00 177.00 174.58 3h2u n PRO 230 N -2.43 1.96 -0.98 5.54 -0.02 -1.26 -0.60 135.00 137.21 3h2u n PRO 230 Ca 0.13 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3h2u n PRO 230 Cb 0.50 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3h2u n PRO 230 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h2u n GLY 231 N 2.38 0.10 3.74 -1.23 0.00 -1.26 -4.86 105.19 104.05 3h2u n GLY 231 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h2u n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3h2u s PHE 232 N -1.21 2.90 -0.52 1.61 5.36 0.23 -4.94 117.98 121.41 3h2u s PHE 232 Ca 0.00 0.86 0.06 0.00 -0.96 0.00 0.00 56.93 56.89 3h2u s PHE 232 Cb 0.00 -3.95 0.22 0.00 -0.34 0.00 0.00 43.02 38.95 3h2u s PHE 232 CO 0.00 -3.20 0.55 -1.71 -1.46 0.00 0.00 175.22 169.40 3h2u n ASN 233 N 2.46 1.63 -3.42 6.13 2.85 -1.26 -4.93 115.26 118.71 3h2u n ASN 233 Ca 0.08 -2.95 -0.26 0.00 -0.11 0.00 0.00 54.58 51.34 3h2u n ASN 233 Cb 0.39 -0.65 -0.09 0.00 1.24 0.00 0.00 39.78 40.67 3h2u n ASN 233 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3h2u n ASP 234 N 1.59 1.63 -0.29 1.20 -0.08 -1.26 -4.89 116.55 114.45 3h2u n ASP 234 Ca 0.25 -2.95 -0.06 0.00 -1.51 0.00 0.00 54.79 50.53 3h2u n ASP 234 Cb 0.45 -0.65 0.06 0.00 2.34 0.00 0.00 41.12 43.33 3h2u n ASP 234 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3h2u h VAL 235 N 3.26 1.26 -0.78 5.18 2.07 -1.95 1.82 116.25 127.11 3h2u h VAL 235 Ca 0.16 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3h2u h VAL 235 Cb 0.80 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3h2u h VAL 235 CO 0.60 0.32 0.34 0.44 0.02 0.00 0.00 177.57 179.29 3h2u h ASP 236 N 1.13 1.06 0.03 0.57 3.32 -1.97 0.91 116.42 121.47 3h2u h ASP 236 Ca 0.27 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3h2u h ASP 236 Cb 0.17 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h2u h ASP 236 CO -0.03 0.92 -0.37 0.00 -1.72 0.00 0.00 179.24 178.04 3h2u h ALA 237 N 1.18 0.02 -0.41 3.45 0.00 -1.90 -1.95 119.26 119.65 3h2u h ALA 237 Ca 0.26 -0.65 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3h2u h ALA 237 Cb 0.18 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3h2u h ALA 237 CO -0.03 0.19 0.10 1.25 0.00 0.00 0.00 179.25 180.77 3h2u h LEU 238 N -0.84 0.05 -0.87 0.00 6.46 0.28 0.45 115.31 120.83 3h2u h LEU 238 Ca -0.08 0.06 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 3h2u h LEU 238 Cb 1.20 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 3h2u h LEU 238 CO 0.01 0.06 -0.45 0.00 -0.62 0.00 0.00 178.44 177.44 3h2u h ARG 240 N 0.00 -0.49 -0.81 0.00 1.12 -0.39 -3.02 114.38 110.79 3h2u h ARG 240 Ca -0.00 0.03 0.19 0.00 -1.11 0.00 0.00 59.98 59.09 3h2u h ARG 240 Cb 0.96 0.11 -0.13 0.00 -0.01 0.00 0.00 29.97 30.90 3h2u h ARG 240 CO 0.06 -0.19 0.16 0.00 -3.11 0.00 0.00 179.97 176.90 3h2u h ALA 241 N -0.34 1.06 0.00 2.80 0.00 0.01 -0.27 119.26 122.52 3h2u h ALA 241 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h2u h ALA 241 Cb 0.53 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3h2u h ALA 241 CO 0.09 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.21 3h2u n LEU 242 N -5.23 0.00 -0.43 0.00 4.77 -0.86 -2.76 117.00 112.49 3h2u n LEU 242 Ca 0.17 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 3h2u n LEU 242 Cb 0.56 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 3h2u n LEU 242 CO 0.08 0.00 0.31 -1.20 -1.33 0.00 0.00 177.39 175.25 3h2u n SER 243 N -0.75 1.79 0.00 -1.43 7.64 -0.11 -4.62 113.62 116.14 3h2u n SER 243 Ca 0.09 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.57 3h2u n SER 243 Cb 0.04 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3h2u n SER 243 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h2u n ALA 244 N 0.06 0.67 0.00 -0.43 0.00 -1.11 -2.52 120.51 117.17 3h2u n ALA 244 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3h2u n ALA 244 Cb 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3h2u n ALA 244 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h2u n VAL 245 N -0.81 0.00 -4.03 0.00 0.31 -1.26 -5.12 118.33 107.42 3h2u n VAL 245 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3h2u n VAL 245 Cb 0.04 -0.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.45 3h2u n VAL 245 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3h2u s HIS 246 N -1.94 0.54 -0.14 3.52 3.76 -1.05 -5.06 115.29 114.92 3h2u s HIS 246 Ca 0.00 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 53.90 3h2u s HIS 246 Cb 0.00 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 3h2u s HIS 246 CO 0.00 -0.58 0.08 -1.12 -0.85 0.00 0.00 174.74 172.28 3h2u s SER 247 N -2.97 5.86 -0.04 1.40 0.01 -1.26 -4.02 113.70 112.68 3h2u s SER 247 Ca 0.16 0.23 -0.30 0.00 1.31 0.00 0.00 55.95 57.36 3h2u s SER 247 Cb 0.06 -1.91 -0.06 0.00 0.21 0.00 0.00 66.02 64.32 3h2u s SER 247 CO -0.02 0.29 1.58 -2.16 0.41 0.00 0.00 173.24 173.34 3h2u s PRO 248 N -0.33 4.20 0.46 12.44 0.04 -1.26 -4.63 135.00 145.93 3h2u s PRO 248 Ca 0.09 2.13 0.30 0.00 0.04 0.00 0.00 61.00 63.57 3h2u s PRO 248 Cb -0.12 -3.85 1.15 0.00 0.04 0.00 0.00 34.50 31.72 3h2u s PRO 248 CO 0.01 -0.78 1.88 1.79 0.04 0.00 0.00 177.00 179.95 3h2u h THR 249 N 5.36 0.00 -3.70 1.26 1.35 -1.58 -3.44 112.91 112.16 3h2u h THR 249 Ca -0.38 -0.51 -0.15 0.00 -0.55 0.00 0.00 66.41 64.82 3h2u h THR 249 Cb 1.17 1.45 -0.20 0.00 -1.73 0.00 0.00 68.15 68.84 3h2u h THR 249 CO 0.94 0.00 -0.57 0.12 -0.25 0.00 0.00 175.52 175.76 3h2u s PHE 250 N -3.52 0.13 -0.30 4.73 2.19 -1.21 -4.94 117.98 115.06 3h2u s PHE 250 Ca 0.03 -0.31 -0.16 0.00 0.33 0.00 0.00 56.93 56.82 3h2u s PHE 250 Cb 0.09 -0.11 0.18 0.00 -1.31 0.00 0.00 43.02 41.87 3h2u s PHE 250 CO 0.53 -0.26 1.13 0.00 1.83 0.00 0.00 175.22 178.45 3h2u s GLN 252 N 2.63 1.07 0.48 0.00 0.74 -0.92 -5.02 119.66 118.64 3h2u s GLN 252 Ca -0.02 -0.76 -0.03 0.00 0.05 0.00 0.00 55.36 54.59 3h2u s GLN 252 Cb -0.07 0.46 -0.02 0.00 1.10 0.00 0.00 33.01 34.48 3h2u s GLN 252 CO -0.13 -0.41 0.75 -0.51 -0.55 0.00 0.00 175.29 174.44 3h2u s LEU 253 N -2.82 3.59 -0.64 3.68 1.02 -1.26 -1.89 118.68 120.35 3h2u s LEU 253 Ca 0.04 0.64 -0.21 0.00 0.02 0.00 0.00 54.13 54.62 3h2u s LEU 253 Cb 0.02 -3.53 0.09 0.00 0.02 0.00 0.00 46.19 42.79 3h2u s LEU 253 CO -0.11 -0.69 0.85 0.00 0.02 0.00 0.00 176.35 176.43 3h2u s ALA 254 N -2.70 3.27 -0.21 4.21 0.00 -0.17 -4.88 121.76 121.29 3h2u s ALA 254 Ca 0.48 -2.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.29 3h2u s ALA 254 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 3h2u s ALA 254 CO 0.42 -2.59 0.07 0.00 0.00 0.00 0.00 175.76 173.65 3h2u s GLY 256 N 0.83 1.71 -0.63 0.00 0.00 0.37 -4.89 107.32 104.70 3h2u s GLY 256 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 3h2u s GLY 256 CO 0.02 -0.33 2.07 -1.06 0.00 0.00 0.00 173.10 173.80 3h2u n GLN 257 N -3.67 2.55 -0.00 2.90 1.13 -1.26 -3.50 117.38 115.53 3h2u n GLN 257 Ca 0.13 -3.02 0.00 0.00 -1.94 0.00 0.00 57.00 52.17 3h2u n GLN 257 Cb 0.60 -2.18 -0.00 0.00 0.11 0.00 0.00 30.24 28.77 3h2u n GLN 257 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3h2u n ASP 258 N -0.58 1.63 -3.99 1.08 10.43 -1.26 -4.86 116.55 119.01 3h2u n ASP 258 Ca 0.56 -0.34 -0.43 0.00 2.57 0.00 0.00 54.79 57.15 3h2u n ASP 258 Cb 0.57 1.00 0.01 0.00 1.84 0.00 0.00 41.12 44.54 3h2u n ASP 258 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h2u n GLY 259 N 1.49 5.18 1.97 0.44 0.00 -1.26 -5.11 105.19 107.90 3h2u n GLY 259 Ca 0.00 -2.67 -0.19 0.00 0.00 0.00 0.00 46.02 43.16 3h2u n GLY 259 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h2u n GLN 260 N 1.29 -3.73 -4.56 1.61 1.13 -1.23 -4.41 117.38 107.48 3h2u n GLN 260 Ca 0.26 -0.91 -0.30 0.00 -1.94 0.00 0.00 57.00 54.12 3h2u n GLN 260 Cb 0.33 -1.16 -0.17 0.00 0.11 0.00 0.00 30.24 29.35 3h2u n GLN 260 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3h2u s LEU 261 N 0.00 1.83 -0.27 1.08 1.43 -1.26 0.14 118.68 121.63 3h2u s LEU 261 Ca 0.41 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3h2u s LEU 261 Cb -0.07 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 3h2u s LEU 261 CO 0.35 0.04 0.18 -0.54 0.23 0.00 0.00 176.35 176.60 3h2u s LYS 262 N 0.90 3.95 0.00 1.70 -0.14 0.26 -4.88 119.74 121.53 3h2u s LYS 262 Ca -0.08 -0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.21 3h2u s LYS 262 Cb -0.15 -3.62 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 3h2u s LYS 262 CO -0.01 -0.15 0.17 0.41 -0.76 0.00 0.00 175.35 175.01 3h2u n GLY 263 N 4.94 0.33 3.83 -3.33 0.00 -1.26 -4.16 105.19 105.54 3h2u n GLY 263 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3h2u n GLY 263 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h2u s PHE 264 N 1.03 -0.00 0.05 1.61 -0.12 -1.26 -3.68 117.98 115.60 3h2u s PHE 264 Ca 0.00 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.20 3h2u s PHE 264 Cb 0.00 0.77 0.02 0.00 -0.63 0.00 0.00 43.02 43.18 3h2u s PHE 264 CO 0.00 -1.33 0.31 0.00 -0.05 0.00 0.00 175.22 174.14 3h2u s ALA 265 N -2.87 -0.68 -0.05 1.99 0.00 -0.09 -1.00 121.76 119.07 3h2u s ALA 265 Ca 0.15 -0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.14 3h2u s ALA 265 Cb -0.05 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 3h2u s ALA 265 CO 0.09 -0.43 -0.22 0.08 0.00 0.00 0.00 175.76 175.28 3h2u s VAL 266 N -2.69 1.80 0.13 0.00 1.01 -0.79 -0.70 120.40 119.16 3h2u s VAL 266 Ca -0.04 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3h2u s VAL 266 Cb -0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3h2u s VAL 266 CO -0.04 0.51 -0.20 -0.76 0.00 0.00 0.00 175.10 174.61 3h2u s LEU 267 N -0.12 2.36 0.15 3.92 2.01 0.41 -2.17 118.68 125.23 3h2u s LEU 267 Ca -0.03 -0.76 0.07 0.00 0.01 0.00 0.00 54.13 53.42 3h2u s LEU 267 Cb -0.12 -0.85 -0.04 0.00 0.01 0.00 0.00 46.19 45.19 3h2u s LEU 267 CO 0.03 0.01 -0.15 -0.70 1.01 0.00 0.00 176.35 176.55 3h2u s GLU 268 N -2.29 1.14 0.03 1.70 2.12 -0.88 -0.29 118.70 120.23 3h2u s GLU 268 Ca 0.10 -1.35 -0.02 0.00 0.36 0.00 0.00 54.97 54.07 3h2u s GLU 268 Cb -0.08 -1.05 -0.02 0.00 0.26 0.00 0.00 34.13 33.24 3h2u s GLU 268 CO 0.05 0.20 0.00 0.71 -0.54 0.00 0.00 175.26 175.69 3h2u s TYR 269 N -2.28 0.28 0.33 5.30 1.51 -0.16 -1.41 117.35 120.92 3h2u s TYR 269 Ca 0.13 -0.58 0.06 0.00 -1.01 0.00 0.00 57.07 55.66 3h2u s TYR 269 Cb -0.04 -0.21 0.71 0.00 -0.11 0.00 0.00 41.96 42.31 3h2u s TYR 269 CO 0.04 -0.26 1.89 0.93 -1.11 0.00 0.00 175.55 177.05 3h2u h GLU 270 N 4.21 0.79 -5.25 -0.62 5.08 -1.88 -3.44 114.58 113.48 3h2u h GLU 270 Ca -0.32 -0.05 -0.40 0.00 -1.00 0.00 0.00 59.36 57.59 3h2u h GLU 270 Cb 1.19 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 3h2u h GLU 270 CO 0.47 0.53 -0.69 0.95 -1.00 0.00 0.00 179.01 179.26 3h2u s THR 271 N -5.76 1.33 0.34 1.13 -4.23 -1.26 -5.01 115.64 102.18 3h2u s THR 271 Ca -0.10 -2.10 0.23 0.00 -1.18 0.00 0.00 61.69 58.54 3h2u s THR 271 Cb 0.21 -2.15 0.23 0.00 1.34 0.00 0.00 72.50 72.13 3h2u s THR 271 CO 0.79 -0.51 1.96 0.00 -0.54 0.00 0.00 174.62 176.32 3h2u h ALA 272 N 2.55 1.26 -0.10 3.99 0.00 -1.84 -2.43 119.26 122.68 3h2u h ALA 272 Ca -0.38 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.13 3h2u h ALA 272 Cb 1.21 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3h2u h ALA 272 CO 0.64 0.26 -0.80 1.49 0.00 0.00 0.00 179.25 180.84 3h2u h GLU 273 N 0.00 0.64 -0.26 0.00 4.81 -1.95 -0.94 114.58 116.88 3h2u h GLU 273 Ca -0.00 -0.54 -0.11 0.00 -0.13 0.00 0.00 59.36 58.57 3h2u h GLU 273 Cb 0.50 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3h2u h GLU 273 CO 0.03 1.16 -0.31 0.52 -0.73 0.00 0.00 179.01 179.68 3h2u h MET 274 N 0.42 0.54 -0.12 1.92 2.86 -1.85 -2.03 114.93 116.66 3h2u h MET 274 Ca -0.05 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 3h2u h MET 274 Cb 1.42 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 3h2u h MET 274 CO 0.15 0.79 -0.10 0.00 1.06 0.00 0.00 176.91 178.81 3h2u h ALA 275 N 1.20 0.18 -0.18 6.32 0.00 -1.41 -2.17 119.26 123.20 3h2u h ALA 275 Ca 0.06 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3h2u h ALA 275 Cb 0.77 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 3h2u h ALA 275 CO 0.06 0.01 -0.42 1.49 0.00 0.00 0.00 179.25 180.39 3h2u h GLU 276 N -0.09 -0.45 -0.70 0.00 4.81 -0.90 -0.34 114.58 116.91 3h2u h GLU 276 Ca 0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3h2u h GLU 276 Cb 0.60 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3h2u h GLU 276 CO 0.03 -0.30 0.44 0.93 -0.73 0.00 0.00 179.01 179.38 3h2u h GLU 277 N -0.47 0.93 -0.31 1.92 5.08 -1.44 -1.96 114.58 118.34 3h2u h GLU 277 Ca 0.08 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3h2u h GLU 277 Cb 0.62 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3h2u h GLU 277 CO -0.43 0.64 0.03 0.00 -1.00 0.00 0.00 179.01 178.26 3h2u h ALA 278 N 1.24 0.30 -0.46 3.43 0.00 -0.70 -2.26 119.26 120.81 3h2u h ALA 278 Ca 0.25 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3h2u h ALA 278 Cb -0.07 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h2u h ALA 278 CO -0.05 -0.38 0.22 0.37 0.00 0.00 0.00 179.25 179.41 3h2u h GLN 279 N 0.13 0.66 -0.83 0.00 -0.00 -0.70 0.24 115.11 114.62 3h2u h GLN 279 Ca 0.15 -0.10 0.13 0.00 -0.00 0.00 0.00 58.65 58.82 3h2u h GLN 279 Cb 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 27.48 27.45 3h2u h GLN 279 CO -0.22 0.56 0.44 0.37 0.00 0.00 0.00 178.83 179.98 3h2u h GLN 280 N 0.60 0.65 0.17 1.69 4.15 -1.03 -1.35 115.11 120.00 3h2u h GLN 280 Ca 0.16 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 59.24 3h2u h GLN 280 Cb 0.12 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.67 3h2u h GLN 280 CO -0.02 0.43 -1.47 0.37 -1.93 0.00 0.00 178.83 176.21 3h2u h GLN 281 N 0.67 0.36 -0.35 1.69 -0.00 -1.22 -3.39 115.11 112.86 3h2u h GLN 281 Ca 0.43 -0.61 -0.17 0.00 -0.00 0.00 0.00 58.65 58.30 3h2u h GLN 281 Cb 0.54 0.23 -0.00 0.00 0.00 0.00 0.00 27.48 28.24 3h2u h GLN 281 CO -0.32 1.29 -0.44 0.00 0.00 0.00 0.00 178.83 179.37 3h2u h ALA 282 N 0.06 0.56 -2.15 3.38 0.00 -0.29 -3.44 119.26 117.38 3h2u h ALA 282 Ca -0.29 -0.47 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 3h2u h ALA 282 Cb 1.94 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 19.67 3h2u h ALA 282 CO 0.15 0.68 0.86 -3.47 0.00 0.00 0.00 179.25 177.47 3h2u n ASP 283 N -4.04 3.08 0.00 0.00 4.64 -0.53 -2.17 116.55 117.53 3h2u n ASP 283 Ca -0.03 1.05 0.00 0.00 -1.38 0.00 0.00 54.79 54.44 3h2u n ASP 283 Cb 0.57 -1.39 0.00 0.00 -1.04 0.00 0.00 41.12 39.26 3h2u n ASP 283 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3h2u n GLY 284 N 3.65 3.20 3.50 0.27 0.00 0.15 -4.94 105.19 111.01 3h2u n GLY 284 Ca 0.19 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.72 3h2u n GLY 284 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3h2u n LEU 285 N 0.00 0.24 -4.81 0.99 7.94 -0.92 -3.93 117.00 116.51 3h2u n LEU 285 Ca 0.00 1.15 -0.35 0.00 -1.11 0.00 0.00 56.01 55.70 3h2u n LEU 285 Cb 0.00 -1.09 -0.06 0.00 0.53 0.00 0.00 43.42 42.80 3h2u n LEU 285 CO 0.00 -2.11 0.55 -0.55 -1.11 0.00 0.00 177.39 174.16 3h2u s SER 286 N -0.57 7.03 -0.30 1.96 0.15 -1.26 -0.67 113.70 120.04 3h2u s SER 286 Ca 0.67 1.58 -0.17 0.00 0.70 0.00 0.00 55.95 58.73 3h2u s SER 286 Cb -0.89 -2.49 0.19 0.00 -1.71 0.00 0.00 66.02 61.12 3h2u s SER 286 CO 0.56 -0.16 1.19 -0.22 1.20 0.00 0.00 173.24 175.81 3h2u s LEU 287 N -2.57 -0.22 0.00 3.45 0.20 -0.25 -4.93 118.68 114.35 3h2u s LEU 287 Ca 0.53 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.67 3h2u s LEU 287 Cb -0.13 1.27 0.00 0.00 -0.43 0.00 0.00 46.19 46.90 3h2u s LEU 287 CO 0.19 -0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.81 3h2u n GLY 288 N 4.16 -0.62 0.00 7.98 0.00 -1.26 -2.26 105.19 113.18 3h2u n GLY 288 Ca -0.11 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.81 3h2u n GLY 288 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2u n GLY 289 N 0.00 -0.95 3.30 -0.02 0.00 -1.26 -4.92 105.19 101.35 3h2u n GLY 289 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 3h2u n GLY 289 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h2u s SER 290 N -1.24 2.07 -0.24 1.61 1.04 -0.96 -5.09 113.70 110.90 3h2u s SER 290 Ca 0.09 -1.07 -0.18 0.00 0.48 0.00 0.00 55.95 55.27 3h2u s SER 290 Cb 0.04 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.08 3h2u s SER 290 CO 0.07 -0.32 0.53 -1.00 0.98 0.00 0.00 173.24 173.49 3h2u s HIS 291 N -3.23 3.30 0.35 5.02 0.09 -1.26 -1.09 115.29 118.47 3h2u s HIS 291 Ca 0.21 0.70 -0.23 0.00 -0.00 0.00 0.00 55.06 55.74 3h2u s HIS 291 Cb 0.02 -2.72 -0.10 0.00 -0.00 0.00 0.00 32.58 29.79 3h2u s HIS 291 CO 0.05 -0.23 0.92 -0.51 -0.00 0.00 0.00 174.74 174.96 3h2u s LEU 292 N 2.12 4.19 -0.16 0.89 1.43 0.15 -4.83 118.68 122.47 3h2u s LEU 292 Ca 0.23 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 54.98 3h2u s LEU 292 Cb -0.16 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 3h2u s LEU 292 CO 0.09 -0.17 0.07 -0.60 0.23 0.00 0.00 176.35 175.98 3h2u s ARG 293 N -2.48 3.76 -0.20 1.70 3.52 -0.69 0.30 118.95 124.86 3h2u s ARG 293 Ca 0.54 -0.31 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3h2u s ARG 293 Cb -0.15 -3.17 0.06 0.00 -1.56 0.00 0.00 34.95 30.13 3h2u s ARG 293 CO 0.19 0.43 -0.00 0.08 -0.81 0.00 0.00 175.30 175.19 3h2u s VAL 294 N -0.06 0.86 0.30 7.11 1.01 -1.26 -1.62 120.40 126.74 3h2u s VAL 294 Ca 0.07 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3h2u s VAL 294 Cb -0.12 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3h2u s VAL 294 CO 0.01 -0.12 -0.05 -0.44 0.00 0.00 0.00 175.10 174.50 3h2u s SER 295 N 1.71 2.96 0.51 3.32 0.01 -0.34 -4.71 113.70 117.16 3h2u s SER 295 Ca -0.02 -1.22 -0.18 0.00 1.31 0.00 0.00 55.95 55.85 3h2u s SER 295 Cb -0.17 -0.20 -0.08 0.00 0.21 0.00 0.00 66.02 65.78 3h2u s SER 295 CO -0.07 -0.35 1.00 -0.36 0.41 0.00 0.00 173.24 173.87 3h2u s PHE 296 N -2.95 3.23 0.38 2.43 0.40 -1.26 -0.01 117.98 120.20 3h2u s PHE 296 Ca 0.31 1.53 0.04 0.00 -0.60 0.00 0.00 56.93 58.20 3h2u s PHE 296 Cb 0.04 -2.90 -0.01 0.00 0.51 0.00 0.00 43.02 40.66 3h2u s PHE 296 CO 0.13 -0.58 0.56 0.00 0.70 0.00 0.00 175.22 176.04 3h2u s ALA 298 N -2.34 3.57 0.78 0.00 0.00 -1.26 -4.78 121.76 117.73 3h2u s ALA 298 Ca 0.46 1.30 -0.13 0.00 0.00 0.00 0.00 51.96 53.59 3h2u s ALA 298 Cb -0.10 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.57 3h2u s ALA 298 CO 0.34 -0.71 1.18 -1.25 0.00 0.00 0.00 175.76 175.32 3h2u s PRO 299 N -1.01 1.84 0.00 0.00 0.04 -1.26 -4.49 135.00 130.12 3h2u s PRO 299 Ca 0.55 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.25 3h2u s PRO 299 Cb -0.41 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3h2u s PRO 299 CO 0.48 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.89 3h2u n GLY 300 N 0.23 1.47 3.40 0.56 0.00 -1.26 -5.04 105.19 104.54 3h2u n GLY 300 Ca 0.13 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 3h2u n GLY 300 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h2u n PRO 301 N 0.00 0.29 -2.89 1.61 -0.02 -1.26 -5.01 135.00 127.72 3h2u n PRO 301 Ca 0.00 0.13 -0.19 0.00 -2.02 0.00 0.00 63.50 61.42 3h2u n PRO 301 Cb 0.00 -1.61 0.03 0.00 -0.02 0.00 0.00 33.50 31.91 3h2u n PRO 301 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3h2u s PRO 302 N -2.24 2.61 0.24 0.52 0.02 -1.26 -4.77 135.00 130.12 3h2u s PRO 302 Ca 0.63 -1.17 -0.10 0.00 0.02 0.00 0.00 61.00 60.38 3h2u s PRO 302 Cb -0.39 -2.64 0.36 0.00 0.02 0.00 0.00 34.50 31.85 3h2u s PRO 302 CO 0.60 -0.55 1.43 0.41 -0.33 0.00 0.00 177.00 178.57 3h2u n GLY 303 N -2.10 -1.66 0.40 0.52 0.00 -1.26 -1.55 105.19 99.53 3h2u n GLY 303 Ca 0.10 1.00 -0.11 0.00 0.00 0.00 0.00 46.02 47.01 3h2u n GLY 303 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3h2u h ARG 304 N 0.00 -0.38 0.35 1.61 9.65 -1.96 -1.37 114.38 122.28 3h2u h ARG 304 Ca 0.40 0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.29 3h2u h ARG 304 Cb 0.63 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3h2u h ARG 304 CO -0.94 -0.25 -0.17 0.66 2.80 0.00 0.00 179.97 182.07 3h2u h SER 305 N -0.39 -0.40 -0.59 -3.80 4.64 -1.66 -3.06 113.55 108.30 3h2u h SER 305 Ca 0.11 -0.13 0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3h2u h SER 305 Cb 0.60 0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.69 3h2u h SER 305 CO -0.51 -0.08 -0.09 -0.03 -0.87 0.00 0.00 176.83 175.25 3h2u h MET 306 N -0.74 0.04 -0.34 4.77 -1.53 -1.31 0.28 114.93 116.10 3h2u h MET 306 Ca -0.05 -0.00 0.07 0.00 -3.44 0.00 0.00 59.70 56.28 3h2u h MET 306 Cb 0.50 -0.01 -0.07 0.00 -0.55 0.00 0.00 31.60 31.48 3h2u h MET 306 CO 0.08 0.03 -0.11 1.25 0.14 0.00 0.00 176.91 178.29 3h2u h LEU 307 N 0.04 -0.40 0.46 3.39 6.46 -1.29 0.64 115.31 124.61 3h2u h LEU 307 Ca 0.29 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 58.14 3h2u h LEU 307 Cb 0.46 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 3h2u h LEU 307 CO -0.57 -0.15 -0.22 0.00 -0.62 0.00 0.00 178.44 176.88 3h2u h ALA 308 N 1.27 -0.62 -0.93 1.25 0.00 -1.20 0.13 119.26 119.16 3h2u h ALA 308 Ca 0.17 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3h2u h ALA 308 Cb 0.30 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 3h2u h ALA 308 CO -0.37 -0.76 -0.47 0.00 0.00 0.00 0.00 179.25 177.65 3h2u h ALA 309 N -0.35 -0.17 -0.52 0.00 0.00 -0.12 0.53 119.26 118.63 3h2u h ALA 309 Ca -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h2u h ALA 309 Cb 0.56 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 3h2u h ALA 309 CO 0.10 -0.78 0.19 -0.07 0.00 0.00 0.00 179.25 178.70 3h2u h LEU 310 N -0.04 0.74 -0.22 0.00 3.38 0.42 0.10 115.31 119.69 3h2u h LEU 310 Ca 0.25 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3h2u h LEU 310 Cb 0.53 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3h2u h LEU 310 CO -0.92 0.72 -0.08 0.40 0.09 0.00 0.00 178.44 178.65 3h2u h ILE 311 N 0.71 0.73 -0.60 1.22 2.04 0.17 -1.45 117.51 120.33 3h2u h ILE 311 Ca 0.17 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 3h2u h ILE 311 Cb 0.23 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 3h2u h ILE 311 CO -0.01 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.23 3h2u h ALA 312 N 1.17 1.03 0.74 1.87 0.00 0.19 -1.33 119.26 122.93 3h2u h ALA 312 Ca 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h2u h ALA 312 Cb 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h2u h ALA 312 CO -0.25 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.26 3h2u h ALA 313 N 1.18 -1.12 -0.02 0.00 0.00 -0.69 -2.49 119.26 116.11 3h2u h ALA 313 Ca 0.18 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h2u h ALA 313 Cb 0.41 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h2u h ALA 313 CO 0.01 -1.05 0.06 0.37 0.00 0.00 0.00 179.25 178.64 3h2u h GLN 314 N -1.13 0.00 0.79 0.00 4.15 -1.33 -2.46 115.11 115.13 3h2u h GLN 314 Ca -0.10 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 3h2u h GLN 314 Cb 0.77 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.46 3h2u h GLN 314 CO 0.17 0.00 -0.38 0.00 -1.93 0.00 0.00 178.83 176.69 3h2u h ALA 315 N 1.90 -1.06 0.00 3.38 0.00 -0.86 -3.02 119.26 119.60 3h2u h ALA 315 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3h2u h ALA 315 Cb 0.13 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h2u h ALA 315 CO -0.00 -1.10 0.00 0.25 0.00 0.00 0.00 179.25 178.40 3h2u n THR 316 N -5.55 0.00 0.00 0.00 -2.24 -0.93 -5.08 114.28 100.48 3h2u n THR 316 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3h2u n THR 316 Cb 0.43 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3h2u n THR 316 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50