#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 -1.52 -0.53 1.96 -0.08 -1.26 -4.95 116.55 110.17 3h2u n ASP 40 Ca 0.00 -0.07 0.09 0.00 -1.51 0.00 0.00 54.79 53.30 3h2u n ASP 40 Cb 0.00 -1.27 0.03 0.00 2.34 0.00 0.00 41.12 42.22 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 -4.60 1.58 0.04 -0.67 -0.04 -1.26 -3.32 135.00 126.73 3h2u n PRO 41 Ca 0.04 -1.15 0.11 0.00 -0.04 0.00 0.00 63.50 62.47 3h2u n PRO 41 Cb 0.54 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.61 3h2u n PRO 41 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3h2u n GLU 42 N 0.34 0.49 0.03 0.54 4.07 -1.26 -2.89 120.64 121.96 3h2u n GLU 42 Ca 0.09 -0.03 -0.20 0.00 -0.06 0.00 0.00 57.16 56.95 3h2u n GLU 42 Cb 0.41 -1.63 -0.14 0.00 -0.06 0.00 0.00 31.44 30.01 3h2u n GLU 42 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3h2u h GLU 43 N 0.00 0.26 -0.18 5.31 4.57 -1.96 -2.69 114.58 119.89 3h2u h GLU 43 Ca 0.00 -0.45 0.05 0.00 -1.18 0.00 0.00 59.36 57.78 3h2u h GLU 43 Cb 0.89 0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 29.59 3h2u h GLU 43 CO 0.00 1.21 -0.18 0.82 -1.18 0.00 0.00 179.01 179.68 3h2u h ILE 44 N -0.39 0.52 0.00 2.32 2.04 -1.66 0.22 117.51 120.56 3h2u h ILE 44 Ca -0.19 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 3h2u h ILE 44 Cb 1.65 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3h2u h ILE 44 CO 0.11 0.00 -0.51 0.08 0.00 0.00 0.00 178.15 177.82 3h2u h ARG 45 N -0.20 0.00 -0.01 2.37 0.11 -1.66 -1.53 114.38 113.46 3h2u h ARG 45 Ca 0.12 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.07 3h2u h ARG 45 Cb 0.37 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 3h2u h ARG 45 CO -0.30 0.51 -0.59 1.57 0.10 0.00 0.00 179.97 181.26 3h2u h LYS 46 N 0.00 0.03 0.26 0.08 5.09 -0.93 -0.81 116.57 120.29 3h2u h LYS 46 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 60.70 3h2u h LYS 46 Cb 0.94 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.28 3h2u h LYS 46 CO 0.07 0.62 -0.13 0.00 -2.09 0.00 0.00 179.45 177.92 3h2u h ARG 47 N 0.03 -0.34 -0.60 0.07 3.08 -0.32 -1.79 114.38 114.50 3h2u h ARG 47 Ca -0.01 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.24 3h2u h ARG 47 Cb 1.06 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 3h2u h ARG 47 CO 0.08 -0.04 0.45 -0.07 -1.07 0.00 0.00 179.97 179.32 3h2u h LEU 48 N -0.99 0.00 0.42 3.04 3.38 -1.33 -1.48 115.31 118.35 3h2u h LEU 48 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3h2u h LEU 48 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3h2u h LEU 48 CO 0.06 0.00 -0.20 -0.08 0.09 0.00 0.00 178.44 178.31 3h2u h GLU 49 N 0.00 -0.55 -0.94 1.13 4.81 -1.08 -2.41 114.58 115.54 3h2u h GLU 49 Ca 0.29 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 3h2u h GLU 49 Cb 1.19 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.62 3h2u h GLU 49 CO -0.00 -0.24 0.59 1.25 -0.73 0.00 0.00 179.01 179.88 3h2u h HIS 50 N -0.97 1.09 -0.59 0.92 2.76 -0.51 -2.26 115.15 115.60 3h2u h HIS 50 Ca -0.06 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.11 3h2u h HIS 50 Cb 0.56 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 3h2u h HIS 50 CO 0.02 0.52 0.23 1.15 -1.30 0.00 0.00 177.93 178.56 3h2u h THR 51 N 1.04 1.23 0.03 6.26 2.02 -1.33 -2.18 112.91 119.98 3h2u h THR 51 Ca 0.43 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3h2u h THR 51 Cb 0.25 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3h2u h THR 51 CO -0.20 0.28 -0.02 -0.33 0.37 0.00 0.00 175.52 175.62 3h2u h GLU 52 N 0.81 -0.04 -0.97 6.66 4.39 -0.97 0.20 114.58 124.66 3h2u h GLU 52 Ca 0.20 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.06 3h2u h GLU 52 Cb 0.20 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.77 3h2u h GLU 52 CO -0.02 -0.01 0.58 0.00 -1.16 0.00 0.00 179.01 178.40 3h2u h ARG 53 N -0.06 0.79 0.27 2.33 3.08 -1.33 0.50 114.38 119.95 3h2u h ARG 53 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3h2u h ARG 53 Cb 0.05 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3h2u h ARG 53 CO 0.01 0.52 -0.13 1.96 -1.07 0.00 0.00 179.97 181.26 3h2u h GLN 54 N 0.81 -0.35 -0.79 0.04 1.08 -0.71 -1.95 115.11 113.23 3h2u h GLN 54 Ca 0.53 0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.90 3h2u h GLN 54 Cb 0.72 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.13 3h2u h GLN 54 CO -0.34 -0.00 0.36 0.35 -0.95 0.00 0.00 178.83 178.24 3h2u h PHE 55 N -0.83 0.61 -0.00 2.96 3.04 -0.18 -1.92 116.94 120.62 3h2u h PHE 55 Ca -0.04 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3h2u h PHE 55 Cb 0.51 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.87 3h2u h PHE 55 CO 0.04 0.10 -0.16 0.54 -2.02 0.00 0.00 178.31 176.82 3h2u n ARG 56 N -4.95 0.13 -1.03 1.11 1.74 0.13 -4.43 116.66 109.36 3h2u n ARG 56 Ca 0.16 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 3h2u n ARG 56 Cb 0.43 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.40 6.74 -4.44 0.55 5.15 -0.72 -4.64 115.26 116.50 3h2u n ASN 57 Ca 0.08 -2.44 -0.43 0.00 -0.60 0.00 0.00 54.58 51.19 3h2u n ASN 57 Cb 0.32 -1.33 -0.04 0.00 -0.53 0.00 0.00 39.78 38.21 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 2.57 3.12 -0.04 1.20 1.81 -1.26 -4.66 118.95 121.70 3h2u s ARG 58 Ca 0.56 -0.96 0.10 0.00 -1.72 0.00 0.00 55.73 53.72 3h2u s ARG 58 Cb 0.16 -4.27 0.30 0.00 -0.45 0.00 0.00 34.95 30.69 3h2u s ARG 58 CO -0.04 -1.78 1.24 2.89 -0.68 0.00 0.00 175.30 176.93 3h2u n ARG 59 N 7.44 2.85 -3.63 3.54 1.85 -1.26 -3.99 116.66 123.46 3h2u n ARG 59 Ca -0.03 -2.13 -0.38 0.00 -1.00 0.00 0.00 57.85 54.31 3h2u n ARG 59 Cb 0.45 -1.34 -0.11 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.38 3.55 0.11 2.89 1.02 -1.26 -2.51 119.74 122.15 3h2u s LYS 60 Ca 0.23 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 55.71 3h2u s LYS 60 Cb 0.15 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3h2u s LYS 60 CO 0.12 -0.33 -0.08 0.96 -0.92 0.00 0.00 175.35 175.10 3h2u s ILE 61 N 1.67 3.52 -0.15 2.17 -4.36 -0.42 0.10 121.20 123.72 3h2u s ILE 61 Ca 0.06 -1.22 0.01 0.00 -0.26 0.00 0.00 60.65 59.23 3h2u s ILE 61 Cb -0.17 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.91 3h2u s ILE 61 CO 0.08 0.10 -0.16 -0.22 0.24 0.00 0.00 174.94 174.98 3h2u s LEU 62 N -2.27 1.80 -0.30 0.37 2.96 0.37 -1.45 118.68 120.16 3h2u s LEU 62 Ca 0.23 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 3h2u s LEU 62 Cb -0.11 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.34 3h2u s LEU 62 CO 0.15 -0.04 0.10 -0.63 -1.32 0.00 0.00 176.35 174.61 3h2u s ILE 63 N 1.40 4.12 0.12 6.68 1.01 -0.60 -0.91 121.20 133.01 3h2u s ILE 63 Ca 0.04 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.16 3h2u s ILE 63 Cb -0.13 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3h2u s ILE 63 CO -0.10 0.08 -0.19 0.00 0.00 0.00 0.00 174.94 174.72 3h2u s ARG 64 N 1.53 1.73 0.00 2.79 1.70 0.97 -0.51 118.95 127.16 3h2u s ARG 64 Ca 0.03 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3h2u s ARG 64 Cb -0.17 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.13 3h2u s ARG 64 CO 0.03 0.48 0.00 0.41 -1.08 0.00 0.00 175.30 175.14 3h2u n GLY 65 N 0.82 1.07 3.68 3.88 0.00 0.83 0.29 105.19 115.76 3h2u n GLY 65 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 2.09 0.66 0.99 1.43 -0.33 -4.55 118.68 118.97 3h2u s LEU 66 Ca 0.00 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.46 3h2u s LEU 66 Cb 0.00 -3.88 -0.00 0.00 0.03 0.00 0.00 46.19 42.34 3h2u s LEU 66 CO 0.00 -2.91 1.25 -2.84 0.23 0.00 0.00 176.35 172.08 3h2u s PRO 67 N -4.85 2.51 0.47 1.29 0.02 -1.26 -4.70 135.00 128.48 3h2u s PRO 67 Ca 0.64 1.93 0.15 0.00 0.02 0.00 0.00 61.00 63.74 3h2u s PRO 67 Cb -0.19 -1.86 1.10 0.00 0.02 0.00 0.00 34.50 33.57 3h2u s PRO 67 CO 0.58 -1.59 2.06 0.78 -0.33 0.00 0.00 177.00 178.50 3h2u h GLY 68 N 0.37 0.02 -3.56 0.52 0.00 -1.93 -1.65 103.07 96.83 3h2u h GLY 68 Ca -0.50 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 46.63 3h2u h GLY 68 CO 0.52 0.01 0.24 2.09 0.00 0.00 0.00 176.54 179.40 3h2u n ASP 69 N -4.41 4.81 -4.72 0.19 5.75 -1.26 -4.89 116.55 112.02 3h2u n ASP 69 Ca -0.03 -3.22 -0.34 0.00 -0.01 0.00 0.00 54.79 51.20 3h2u n ASP 69 Cb 0.18 -0.73 0.10 0.00 -1.03 0.00 0.00 41.12 39.64 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 -2.99 2.30 0.35 2.12 0.11 -0.62 -5.03 120.40 116.63 3h2u s VAL 70 Ca 0.55 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.82 3h2u s VAL 70 Cb 0.44 -2.66 -0.07 0.00 -1.53 0.00 0.00 36.38 32.56 3h2u s VAL 70 CO 0.13 -0.09 -0.06 0.42 -3.33 0.00 0.00 175.10 172.17 3h2u s THR 71 N -2.07 2.06 0.14 5.04 -4.23 -1.26 -5.03 115.64 110.29 3h2u s THR 71 Ca 0.73 -2.14 -0.14 0.00 -1.18 0.00 0.00 61.69 58.96 3h2u s THR 71 Cb -0.28 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 70.87 3h2u s THR 71 CO 0.47 -0.16 1.63 0.78 -0.54 0.00 0.00 174.62 176.80 3h2u h ASN 72 N 2.01 0.72 -0.74 3.99 2.35 -1.99 -2.44 115.58 119.48 3h2u h ASN 72 Ca -0.42 -0.25 0.14 0.00 -0.55 0.00 0.00 56.30 55.22 3h2u h ASN 72 Cb 1.25 -0.19 -0.14 0.00 0.05 0.00 0.00 38.32 39.29 3h2u h ASN 72 CO 0.72 0.78 -0.23 -0.61 -1.65 0.00 0.00 177.43 176.44 3h2u h GLN 73 N 0.62 -0.03 -1.00 0.81 5.75 -1.99 0.33 115.11 119.61 3h2u h GLN 73 Ca 0.14 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.67 3h2u h GLN 73 Cb 0.36 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 3h2u h GLN 73 CO 0.01 -0.02 0.66 0.93 -2.65 0.00 0.00 178.83 177.75 3h2u h GLU 74 N -0.03 1.28 -0.31 1.69 5.08 -1.86 0.28 114.58 120.71 3h2u h GLU 74 Ca 0.34 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3h2u h GLU 74 Cb 0.56 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3h2u h GLU 74 CO -0.78 0.84 -0.24 0.28 -1.00 0.00 0.00 179.01 178.11 3h2u h VAL 75 N 1.31 1.30 -0.03 3.13 2.07 -0.70 -0.13 116.25 123.21 3h2u h VAL 75 Ca 0.38 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3h2u h VAL 75 Cb -0.08 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3h2u h VAL 75 CO -0.10 0.45 0.01 0.45 0.02 0.00 0.00 177.57 178.40 3h2u h HIS 76 N 0.47 0.04 -1.00 1.57 3.86 -0.56 -1.79 115.15 117.74 3h2u h HIS 76 Ca 0.06 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.35 3h2u h HIS 76 Cb 0.80 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 29.19 3h2u h HIS 76 CO 0.07 0.15 0.64 -0.44 0.86 0.00 0.00 177.93 179.21 3h2u h ASP 77 N -0.08 1.00 -0.26 2.45 3.32 -0.42 -0.47 116.42 121.95 3h2u h ASP 77 Ca 0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3h2u h ASP 77 Cb 0.13 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3h2u h ASP 77 CO -0.00 0.61 0.02 0.25 -1.72 0.00 0.00 179.24 178.40 3h2u h LEU 78 N 1.11 0.53 -3.58 1.55 5.85 -0.72 -3.08 115.31 116.97 3h2u h LEU 78 Ca 0.45 -0.10 -0.35 0.00 0.84 0.00 0.00 57.88 58.73 3h2u h LEU 78 Cb 0.27 -0.14 -0.21 0.00 0.37 0.00 0.00 40.66 40.95 3h2u h LEU 78 CO -0.20 0.58 0.02 0.18 -0.34 0.00 0.00 178.44 178.68 3h2u n LEU 79 N -4.28 5.05 0.28 2.25 4.77 -0.32 -4.74 117.00 120.01 3h2u n LEU 79 Ca 0.02 -3.99 0.18 0.00 -0.03 0.00 0.00 56.01 52.19 3h2u n LEU 79 Cb 0.24 -0.66 0.97 0.00 -2.33 0.00 0.00 43.42 41.63 3h2u n LEU 79 CO 0.39 1.41 1.15 0.77 -1.33 0.00 0.00 177.39 179.78 3h2u h SER 80 N 1.31 0.00 0.65 -1.43 4.64 -1.11 -1.42 113.55 116.20 3h2u h SER 80 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3h2u h SER 80 Cb 1.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3h2u h SER 80 CO 0.69 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.12 3h2u n ASP 81 N -3.53 0.00 -4.61 4.97 10.43 -1.26 -4.83 116.55 117.72 3h2u n ASP 81 Ca -0.01 0.10 -0.25 0.00 2.57 0.00 0.00 54.79 57.19 3h2u n ASP 81 Cb 0.18 -0.36 -0.09 0.00 1.84 0.00 0.00 41.12 42.69 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 -2.71 2.50 -0.41 1.24 2.02 -0.53 -5.10 117.35 114.36 3h2u s TYR 82 Ca 0.22 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 3h2u s TYR 82 Cb 0.18 -1.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3h2u s TYR 82 CO 0.44 0.49 0.29 -2.00 -1.57 0.00 0.00 175.55 173.21 3h2u s GLU 83 N -3.69 2.98 -0.47 -0.62 2.12 -1.26 -5.03 118.70 112.73 3h2u s GLU 83 Ca 0.34 -1.01 -0.22 0.00 0.36 0.00 0.00 54.97 54.44 3h2u s GLU 83 Cb 0.02 -3.96 0.03 0.00 0.26 0.00 0.00 34.13 30.48 3h2u s GLU 83 CO 0.18 -0.74 0.76 -0.51 -0.54 0.00 0.00 175.26 174.42 3h2u s LEU 84 N 1.67 4.35 0.11 2.70 1.43 -1.26 -2.05 118.68 125.63 3h2u s LEU 84 Ca 0.05 -0.27 0.13 0.00 -1.03 0.00 0.00 54.13 53.01 3h2u s LEU 84 Cb -0.19 -2.85 -0.12 0.00 0.03 0.00 0.00 46.19 43.06 3h2u s LEU 84 CO 0.10 -0.93 1.05 0.11 0.23 0.00 0.00 176.35 176.91 3h2u h LYS 85 N 9.01 0.00 -2.78 1.70 1.79 0.25 -3.46 116.57 123.07 3h2u h LYS 85 Ca -0.25 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.09 3h2u h LYS 85 Cb 1.09 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.49 3h2u h LYS 85 CO 0.97 0.54 -0.28 -0.47 -1.08 0.00 0.00 179.45 179.13 3h2u s TYR 86 N -2.82 -0.45 -0.13 -1.35 5.04 -0.04 -4.92 117.35 112.67 3h2u s TYR 86 Ca -0.01 1.07 -0.04 0.00 -2.44 0.00 0.00 57.07 55.65 3h2u s TYR 86 Cb 0.09 0.16 0.06 0.00 0.35 0.00 0.00 41.96 42.62 3h2u s TYR 86 CO 0.80 -0.23 0.18 0.00 -1.34 0.00 0.00 175.55 174.96 3h2u s PHE 88 N 2.30 1.71 -0.36 0.00 2.19 0.21 -4.97 117.98 119.06 3h2u s PHE 88 Ca 0.04 -0.64 -0.07 0.00 0.33 0.00 0.00 56.93 56.60 3h2u s PHE 88 Cb -0.13 -1.21 0.05 0.00 -1.31 0.00 0.00 43.02 40.41 3h2u s PHE 88 CO -0.08 -0.29 0.14 0.08 1.83 0.00 0.00 175.22 176.89 3h2u s VAL 89 N 0.52 3.84 -0.88 3.12 1.01 -1.26 0.20 120.40 126.94 3h2u s VAL 89 Ca -0.14 -1.22 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 3h2u s VAL 89 Cb -0.16 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.05 3h2u s VAL 89 CO 0.05 -0.26 1.32 -0.62 0.00 0.00 0.00 175.10 175.59 3h2u s ASP 90 N 1.54 6.35 0.47 3.32 3.68 -0.36 -4.86 116.67 126.82 3h2u s ASP 90 Ca -0.00 -1.07 0.23 0.00 2.13 0.00 0.00 52.55 53.84 3h2u s ASP 90 Cb -0.20 -2.54 1.18 0.00 -1.45 0.00 0.00 42.92 39.91 3h2u s ASP 90 CO 0.02 -1.60 1.97 0.11 0.13 0.00 0.00 175.17 175.81 3h2u h LYS 91 N 9.80 0.00 0.00 4.34 1.57 -1.91 -1.10 116.57 129.27 3h2u h LYS 91 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3h2u h LYS 91 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3h2u h LYS 91 CO 1.33 0.19 -0.55 -0.92 -0.57 0.00 0.00 179.45 178.93 3h2u h TYR 92 N 0.00 0.00 0.00 -1.35 3.20 -1.90 -3.23 116.97 113.70 3h2u h TYR 92 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3h2u h TYR 92 Cb 0.47 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3h2u h TYR 92 CO 0.00 0.55 -1.33 1.63 -1.64 0.00 0.00 178.16 177.37 3h2u n LYS 93 N -3.85 0.30 -2.67 1.82 5.02 -0.98 -4.96 118.16 112.83 3h2u n LYS 93 Ca -0.01 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.09 3h2u n LYS 93 Cb 0.56 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 1.38 0.04 3.44 0.72 0.00 -0.46 -4.59 105.19 105.73 3h2u n GLY 94 Ca 0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.88 2.31 -0.03 2.61 -4.23 -0.97 -0.12 115.64 112.34 3h2u s THR 95 Ca 0.16 -2.29 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 3h2u s THR 95 Cb -0.07 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.58 3h2u s THR 95 CO 0.20 -0.37 0.05 0.00 -0.54 0.00 0.00 174.62 173.97 3h2u s ALA 96 N -2.40 -0.05 -0.33 3.99 0.00 0.34 -1.22 121.76 122.09 3h2u s ALA 96 Ca 0.26 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 3h2u s ALA 96 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3h2u s ALA 96 CO 0.12 -0.08 0.27 -0.06 0.00 0.00 0.00 175.76 176.01 3h2u s PHE 97 N 0.69 3.22 -0.03 0.00 0.40 0.52 -1.55 117.98 121.23 3h2u s PHE 97 Ca -0.06 -0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.23 3h2u s PHE 97 Cb -0.08 -2.51 -0.01 0.00 0.51 0.00 0.00 43.02 40.93 3h2u s PHE 97 CO -0.02 -0.34 -0.19 0.08 0.70 0.00 0.00 175.22 175.45 3h2u s VAL 98 N 1.81 1.51 -0.27 -0.44 1.01 -0.53 0.64 120.40 124.14 3h2u s VAL 98 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3h2u s VAL 98 Cb -0.17 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.97 3h2u s VAL 98 CO 0.11 0.43 -0.02 -0.89 0.00 0.00 0.00 175.10 174.73 3h2u s THR 99 N -0.27 3.14 0.16 3.92 2.01 0.65 -1.30 115.64 123.95 3h2u s THR 99 Ca 0.03 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3h2u s THR 99 Cb -0.09 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.81 3h2u s THR 99 CO 0.00 0.11 0.22 0.18 -0.69 0.00 0.00 174.62 174.45 3h2u n LEU 100 N 4.70 0.00 -0.06 4.42 4.77 -1.04 0.22 117.00 130.01 3h2u n LEU 100 Ca -0.15 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.17 3h2u n LEU 100 Cb 0.46 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3h2u n LEU 100 CO 0.28 -0.60 0.58 0.25 -1.33 0.00 0.00 177.39 176.57 3h2u h LEU 101 N 0.00 0.49 0.00 2.23 5.85 -1.72 -3.40 115.31 118.76 3h2u h LEU 101 Ca -0.07 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 3h2u h LEU 101 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3h2u h LEU 101 CO 0.09 0.88 0.14 -0.46 -0.34 0.00 0.00 178.44 178.74 3h2u n ASN 102 N -4.46 -1.56 0.29 1.25 0.23 -1.26 -5.01 115.26 104.74 3h2u n ASN 102 Ca -0.06 -2.23 0.18 0.00 -0.53 0.00 0.00 54.58 51.95 3h2u n ASN 102 Cb 0.40 2.64 0.78 0.00 -2.08 0.00 0.00 39.78 41.53 3h2u n ASN 102 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3h2u h GLY 103 N 1.47 0.00 1.40 4.83 0.00 -1.82 -1.09 103.07 107.86 3h2u h GLY 103 Ca -0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.89 3h2u h GLY 103 CO 0.31 0.00 -0.76 0.83 0.00 0.00 0.00 176.54 176.91 3h2u h GLU 104 N 0.00 0.58 -0.11 4.80 3.07 -1.90 -1.67 114.58 119.34 3h2u h GLU 104 Ca 0.00 -0.48 -0.14 0.00 -0.50 0.00 0.00 59.36 58.23 3h2u h GLU 104 Cb 0.42 0.10 0.01 0.00 -0.84 0.00 0.00 28.75 28.44 3h2u h GLU 104 CO 0.00 1.11 -0.49 1.96 -1.40 0.00 0.00 179.01 180.19 3h2u h GLN 105 N 0.40 0.53 -0.37 2.33 4.20 -1.82 -2.09 115.11 118.29 3h2u h GLN 105 Ca -0.04 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.28 3h2u h GLN 105 Cb 1.37 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 3h2u h GLN 105 CO 0.14 1.05 0.16 0.00 -0.67 0.00 0.00 178.83 179.51 3h2u h ALA 106 N 0.49 0.45 0.59 3.87 0.00 -1.22 0.20 119.26 123.64 3h2u h ALA 106 Ca -0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h2u h ALA 106 Cb 1.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3h2u h ALA 106 CO 0.10 -0.22 -0.49 1.49 0.00 0.00 0.00 179.25 180.13 3h2u h GLU 107 N 0.34 -1.01 -0.74 0.00 4.57 -1.33 -1.73 114.58 114.67 3h2u h GLU 107 Ca 0.16 0.07 0.15 0.00 -1.18 0.00 0.00 59.36 58.56 3h2u h GLU 107 Cb 0.10 0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 28.78 3h2u h GLU 107 CO -0.14 -0.67 -0.18 0.00 -1.18 0.00 0.00 179.01 176.84 3h2u h ALA 108 N -1.02 0.50 -0.05 2.92 0.00 -0.82 0.00 119.26 120.78 3h2u h ALA 108 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3h2u h ALA 108 Cb 0.88 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3h2u h ALA 108 CO -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 179.25 178.85 3h2u h ALA 109 N 1.74 0.06 0.04 0.00 0.00 -0.50 -0.76 119.26 119.84 3h2u h ALA 109 Ca 0.36 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3h2u h ALA 109 Cb 0.55 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3h2u h ALA 109 CO -0.76 -0.45 -0.27 0.82 0.00 0.00 0.00 179.25 178.58 3h2u h ILE 110 N 0.05 0.39 -0.46 0.00 2.04 -0.28 0.17 117.51 119.43 3h2u h ILE 110 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 3h2u h ILE 110 Cb 0.01 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.41 3h2u h ILE 110 CO -0.02 0.00 0.05 0.78 0.00 0.00 0.00 178.15 178.96 3h2u h ASN 111 N -0.44 -0.09 -0.52 1.72 2.35 -0.87 0.01 115.58 117.75 3h2u h ASN 111 Ca 0.05 0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3h2u h ASN 111 Cb 0.51 0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 3h2u h ASN 111 CO -0.21 -0.01 -0.09 0.00 -1.65 0.00 0.00 177.43 175.47 3h2u h ALA 112 N 1.38 0.82 0.00 -0.83 0.00 -0.65 -3.38 119.26 116.60 3h2u h ALA 112 Ca 0.23 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h2u h ALA 112 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h2u h ALA 112 CO -0.33 0.66 -0.98 1.19 0.00 0.00 0.00 179.25 179.79 3h2u n PHE 113 N -4.15 0.00 -1.93 0.00 3.01 0.54 -4.77 117.46 110.16 3h2u n PHE 113 Ca 0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.06 3h2u n PHE 113 Cb 0.39 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 3h2u n PHE 113 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3h2u s HIS 114 N -2.17 2.80 0.00 1.38 2.46 -0.03 -0.82 115.29 118.92 3h2u s HIS 114 Ca -0.01 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.02 3h2u s HIS 114 Cb 0.04 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 3h2u s HIS 114 CO 0.25 -3.60 0.00 1.04 -2.47 0.00 0.00 174.74 169.96 3h2u n GLN 115 N 4.64 -0.77 -1.36 2.88 6.02 0.24 -4.91 117.38 124.12 3h2u n GLN 115 Ca 0.15 0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 57.04 3h2u n GLN 115 Cb 0.39 -3.80 0.17 0.00 1.02 0.00 0.00 30.24 28.02 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 -2.06 2.73 -0.10 1.08 1.04 -0.00 -4.68 113.70 111.71 3h2u s SER 116 Ca 0.00 0.93 0.04 0.00 0.48 0.00 0.00 55.95 57.40 3h2u s SER 116 Cb 0.00 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.67 3h2u s SER 116 CO 0.00 -3.03 -0.22 -0.13 0.98 0.00 0.00 173.24 170.83 3h2u s ARG 117 N -5.23 2.87 -0.22 4.02 1.81 -1.26 -0.93 118.95 120.00 3h2u s ARG 117 Ca 0.66 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.86 3h2u s ARG 117 Cb -0.15 -2.18 0.05 0.00 -0.45 0.00 0.00 34.95 32.23 3h2u s ARG 117 CO 0.55 0.16 -0.08 -1.17 -0.68 0.00 0.00 175.30 174.08 3h2u s LEU 118 N 0.39 2.50 -1.28 2.53 2.96 0.60 -4.70 118.68 121.68 3h2u s LEU 118 Ca -0.18 -1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 52.63 3h2u s LEU 118 Cb -0.18 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.30 3h2u s LEU 118 CO 0.08 -0.20 0.94 0.54 -1.32 0.00 0.00 176.35 176.40 3h2u n ARG 119 N 4.66 -6.26 -0.45 1.98 1.74 -1.26 -1.57 116.66 115.51 3h2u n ARG 119 Ca -0.13 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3h2u n ARG 119 Cb 0.45 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -4.36 0.00 -3.32 5.56 -0.58 -1.26 -4.97 120.64 111.71 3h2u n GLU 120 Ca -0.22 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.14 3h2u n GLU 120 Cb 0.64 -3.00 -0.06 0.00 -0.57 0.00 0.00 31.44 28.45 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 -0.24 4.20 -0.40 3.49 3.00 -0.61 -5.03 118.95 123.37 3h2u s ARG 121 Ca 0.00 0.57 -0.23 0.00 0.00 0.00 0.00 55.73 56.08 3h2u s ARG 121 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 34.95 31.65 3h2u s ARG 121 CO 0.00 0.44 0.76 -2.00 0.00 0.00 0.00 175.30 174.50 3h2u s GLU 122 N -0.35 3.59 0.42 3.54 2.12 -1.26 -0.29 118.70 126.47 3h2u s GLU 122 Ca 0.27 0.09 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 3h2u s GLU 122 Cb -0.17 -3.86 -0.11 0.00 0.26 0.00 0.00 34.13 30.25 3h2u s GLU 122 CO 0.15 -0.94 0.94 -0.51 -0.54 0.00 0.00 175.26 174.35 3h2u s LEU 123 N 3.11 3.95 -0.13 2.70 1.43 -0.11 -4.70 118.68 124.92 3h2u s LEU 123 Ca 0.29 1.67 -0.00 0.00 -1.03 0.00 0.00 54.13 55.06 3h2u s LEU 123 Cb -0.13 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 3h2u s LEU 123 CO 0.19 -0.35 -0.12 -0.55 0.23 0.00 0.00 176.35 175.74 3h2u s SER 124 N -2.19 4.06 -0.16 2.29 0.15 0.14 0.80 113.70 118.80 3h2u s SER 124 Ca 0.62 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 56.93 3h2u s SER 124 Cb -0.09 -1.61 0.05 0.00 -1.71 0.00 0.00 66.02 62.66 3h2u s SER 124 CO 0.13 0.17 0.02 -0.69 1.20 0.00 0.00 173.24 174.07 3h2u s VAL 125 N 0.33 0.56 0.24 4.45 1.01 -1.26 -0.02 120.40 125.72 3h2u s VAL 125 Ca -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3h2u s VAL 125 Cb -0.16 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3h2u s VAL 125 CO 0.06 -0.04 0.37 -1.10 0.00 0.00 0.00 175.10 174.38 3h2u s GLN 126 N 1.86 1.47 0.16 2.72 -0.21 -0.09 -4.55 119.66 121.03 3h2u s GLN 126 Ca 0.01 -1.41 -0.32 0.00 0.02 0.00 0.00 55.36 53.66 3h2u s GLN 126 Cb -0.16 0.41 -0.10 0.00 1.00 0.00 0.00 33.01 34.16 3h2u s GLN 126 CO -0.07 -0.58 1.57 -0.51 -2.12 0.00 0.00 175.29 173.58 3h2u s LEU 127 N -3.08 4.37 0.85 2.90 1.43 -1.26 0.14 118.68 124.02 3h2u s LEU 127 Ca 0.28 2.61 -0.13 0.00 -1.03 0.00 0.00 54.13 55.86 3h2u s LEU 127 Cb 0.02 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.71 3h2u s LEU 127 CO 0.11 -0.83 0.88 1.67 0.23 0.00 0.00 176.35 178.41 3h2u n GLN 128 N 4.07 -0.02 -2.81 1.70 7.27 0.29 -4.63 117.38 123.25 3h2u n GLN 128 Ca 0.14 0.06 -0.33 0.00 0.07 0.00 0.00 57.00 56.94 3h2u n GLN 128 Cb 0.39 -2.18 -0.07 0.00 2.41 0.00 0.00 30.24 30.79 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 -3.85 4.22 -0.25 3.69 0.04 -1.26 -4.92 135.00 132.68 3h2u s PRO 129 Ca 0.67 1.13 -0.32 0.00 0.04 0.00 0.00 61.00 62.52 3h2u s PRO 129 Cb -0.27 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3h2u s PRO 129 CO 0.57 -0.04 2.14 2.41 0.04 0.00 0.00 177.00 182.13 3h2u n THR 130 N -0.63 0.33 0.00 1.26 -1.04 -1.26 -4.88 114.28 108.06 3h2u n THR 130 Ca 0.07 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 3h2u n THR 130 Cb 0.54 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 3h2u n THR 130 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3h2u n ASP 131 N 9.91 0.00 -3.63 8.00 4.64 -1.26 -4.12 116.55 130.09 3h2u n ASP 131 Ca 0.33 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.33 3h2u n ASP 131 Cb 0.33 0.00 0.02 0.00 -1.04 0.00 0.00 41.12 40.43 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 -1.44 6.06 -2.68 -1.67 0.00 -1.26 -4.95 120.51 114.58 3h2u n ALA 132 Ca 0.00 -4.61 -0.41 0.00 0.00 0.00 0.00 53.44 48.42 3h2u n ALA 132 Cb 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.17 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 -4.33 4.73 0.17 0.00 0.20 -1.26 -2.34 118.68 115.85 3h2u s LEU 133 Ca 0.39 -0.82 0.05 0.00 0.69 0.00 0.00 54.13 54.44 3h2u s LEU 133 Cb 0.19 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 3h2u s LEU 133 CO -0.13 -0.36 0.13 -0.76 -0.29 0.00 0.00 176.35 174.94 3h2u s LEU 134 N 1.62 3.76 -0.17 -0.68 1.43 0.23 -1.18 118.68 123.70 3h2u s LEU 134 Ca 0.04 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3h2u s LEU 134 Cb -0.19 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.69 3h2u s LEU 134 CO 0.08 0.06 -0.13 0.00 0.23 0.00 0.00 176.35 176.59 3h2u s VAL 136 N 1.44 5.15 0.48 0.00 1.01 0.34 -1.46 120.40 127.35 3h2u s VAL 136 Ca 0.03 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3h2u s VAL 136 Cb -0.14 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3h2u s VAL 136 CO -0.10 -0.54 0.44 0.00 0.00 0.00 0.00 175.10 174.90 3h2u s ALA 137 N 1.92 4.26 -1.32 5.51 0.00 0.49 -2.09 121.76 130.53 3h2u s ALA 137 Ca 0.08 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.31 3h2u s ALA 137 Cb -0.21 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3h2u s ALA 137 CO 0.10 -0.38 0.00 -1.71 0.00 0.00 0.00 175.76 173.77 3h2u n ASN 138 N -1.70 -4.46 -4.72 0.00 5.15 -0.50 -2.05 115.26 106.98 3h2u n ASN 138 Ca 0.04 0.26 -0.34 0.00 -0.60 0.00 0.00 54.58 53.94 3h2u n ASN 138 Cb 0.62 -3.21 0.10 0.00 -0.53 0.00 0.00 39.78 36.76 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 -3.09 3.26 0.12 1.20 1.43 -0.04 -4.60 118.68 116.97 3h2u s LEU 139 Ca 0.00 2.27 -0.34 0.00 -1.03 0.00 0.00 54.13 55.03 3h2u s LEU 139 Cb 0.00 -4.58 -0.14 0.00 0.03 0.00 0.00 46.19 41.50 3h2u s LEU 139 CO 0.00 -2.27 1.61 -2.65 0.23 0.00 0.00 176.35 173.27 3h2u n PRO 140 N -2.88 2.11 0.30 1.29 -0.02 -1.26 -4.63 135.00 129.91 3h2u n PRO 140 Ca 0.13 0.76 0.19 0.00 -2.02 0.00 0.00 63.50 62.56 3h2u n PRO 140 Cb 0.51 -2.54 0.99 0.00 -0.02 0.00 0.00 33.50 32.44 3h2u n PRO 140 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h2u h PRO 141 N 6.31 0.00 0.00 0.52 0.11 -1.91 -0.19 132.00 136.84 3h2u h PRO 141 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h2u h PRO 141 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h2u h PRO 141 CO 0.89 0.00 -0.56 -1.13 -0.21 0.00 0.00 178.00 177.00 3h2u n SER 142 N -3.31 0.54 -4.65 -2.05 3.41 -1.26 -4.37 113.62 101.93 3h2u n SER 142 Ca -0.01 -0.28 -0.47 0.00 -0.26 0.00 0.00 58.87 57.85 3h2u n SER 142 Cb 0.21 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.55 2.73 -4.93 1.04 7.94 -0.09 -4.96 117.00 117.19 3h2u n LEU 143 Ca 0.05 1.12 -0.25 0.00 -1.11 0.00 0.00 56.01 55.82 3h2u n LEU 143 Cb 0.34 -1.37 0.01 0.00 0.53 0.00 0.00 43.42 42.93 3h2u n LEU 143 CO 0.36 -0.58 0.36 0.42 -1.11 0.00 0.00 177.39 176.83 3h2u s THR 144 N 0.36 4.39 0.26 1.96 -4.23 -1.26 -4.89 115.64 112.23 3h2u s THR 144 Ca 0.75 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 3h2u s THR 144 Cb -0.72 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 69.73 3h2u s THR 144 CO 0.45 -0.55 1.88 -0.61 -0.54 0.00 0.00 174.62 175.25 3h2u h GLN 145 N 0.30 1.12 0.00 3.99 5.75 -1.98 0.69 115.11 124.98 3h2u h GLN 145 Ca -0.47 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 57.92 3h2u h GLN 145 Cb 1.23 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 3h2u h GLN 145 CO 0.60 0.74 -0.19 0.37 -2.65 0.00 0.00 178.83 177.70 3h2u h GLN 146 N 1.16 0.00 0.23 1.69 4.15 -1.99 -0.72 115.11 119.63 3h2u h GLN 146 Ca 0.43 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.52 3h2u h GLN 146 Cb 0.18 0.00 0.03 0.00 0.21 0.00 0.00 27.48 27.90 3h2u h GLN 146 CO -0.18 0.19 -1.49 1.96 -1.93 0.00 0.00 178.83 177.38 3h2u h GLN 147 N 0.00 0.49 0.00 1.69 4.20 -0.61 -2.42 115.11 118.46 3h2u h GLN 147 Ca -0.00 -0.84 0.03 0.00 0.06 0.00 0.00 58.65 57.90 3h2u h GLN 147 Cb 0.75 0.31 -0.05 0.00 0.30 0.00 0.00 27.48 28.79 3h2u h GLN 147 CO 0.02 1.40 -0.27 0.35 -0.67 0.00 0.00 178.83 179.66 3h2u h PHE 148 N 0.09 -0.74 -0.91 2.96 3.57 0.39 -0.99 116.94 121.31 3h2u h PHE 148 Ca -0.27 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.40 3h2u h PHE 148 Cb 2.11 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 41.08 3h2u h PHE 148 CO 0.13 -0.37 0.51 1.49 -2.23 0.00 0.00 178.31 177.84 3h2u h GLU 149 N -0.42 0.71 0.00 1.11 4.22 -1.16 -0.49 114.58 118.55 3h2u h GLU 149 Ca 0.06 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 3h2u h GLU 149 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3h2u h GLU 149 CO -0.24 0.47 -0.29 0.93 -2.18 0.00 0.00 179.01 177.70 3h2u h GLU 150 N 0.73 0.00 0.00 1.92 5.08 -0.82 -0.50 114.58 120.99 3h2u h GLU 150 Ca 0.49 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3h2u h GLU 150 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3h2u h GLU 150 CO -0.34 0.29 -0.07 1.25 -1.00 0.00 0.00 179.01 179.14 3h2u h LEU 151 N 0.00 0.06 0.00 1.33 5.85 0.16 -3.37 115.31 119.34 3h2u h LEU 151 Ca -0.00 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3h2u h LEU 151 Cb 0.59 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3h2u h LEU 151 CO 0.04 0.85 -0.88 1.62 -0.34 0.00 0.00 178.44 179.73 3h2u h VAL 152 N -0.72 0.00 -0.50 1.05 3.04 -1.28 -3.40 116.25 114.44 3h2u h VAL 152 Ca -0.01 -0.97 -0.04 0.00 -1.01 0.00 0.00 66.70 64.67 3h2u h VAL 152 Cb 0.86 1.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 3h2u h VAL 152 CO 0.01 0.00 0.15 0.08 -1.01 0.00 0.00 177.57 176.80 3h2u h ARG 153 N 0.00 0.79 0.00 4.17 0.11 -1.25 -3.29 114.38 114.91 3h2u h ARG 153 Ca 0.00 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3h2u h ARG 153 Cb 0.98 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.95 3h2u h ARG 153 CO 0.00 0.74 0.14 -1.00 0.10 0.00 0.00 179.97 179.95 3h2u h PRO 154 N 0.68 0.00 0.00 0.08 0.13 -1.78 -1.88 132.00 129.24 3h2u h PRO 154 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3h2u h PRO 154 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 3h2u h PRO 154 CO -0.00 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.96 3h2u n PHE 155 N -2.42 0.46 0.00 1.56 3.01 -1.24 -4.99 117.46 113.85 3h2u n PHE 155 Ca -0.02 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3h2u n PHE 155 Cb 0.17 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 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 1.26 2.84 3.72 1.37 0.00 -0.71 -4.57 105.19 109.11 3h2u n GLY 156 Ca 0.06 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3h2u n GLY 156 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h2u n SER 157 N 0.00 3.17 -4.87 1.61 7.64 -1.26 -4.78 113.62 115.13 3h2u n SER 157 Ca 0.00 1.19 -0.28 0.00 1.01 0.00 0.00 58.87 60.79 3h2u n SER 157 Cb 0.00 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.63 3h2u n SER 157 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h2u s LEU 158 N -0.94 4.10 -0.20 -3.43 1.43 -1.26 -1.49 118.68 116.89 3h2u s LEU 158 Ca 0.59 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 3h2u s LEU 158 Cb -0.55 -2.71 -0.12 0.00 0.03 0.00 0.00 46.19 42.84 3h2u s LEU 158 CO 0.58 0.11 -0.19 -0.62 0.23 0.00 0.00 176.35 176.45 3h2u n GLU 159 N -0.11 0.48 -3.83 1.70 -0.58 0.22 -4.76 120.64 113.75 3h2u n GLU 159 Ca -0.07 0.13 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 3h2u n GLU 159 Cb 0.53 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.95 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 -2.39 0.61 -0.30 3.49 0.52 -1.12 -4.98 118.95 114.79 3h2u s ARG 160 Ca -0.27 -0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3h2u s ARG 160 Cb 0.08 0.26 0.19 0.00 0.52 0.00 0.00 34.95 36.00 3h2u s ARG 160 CO 0.43 -0.17 0.67 0.00 0.02 0.00 0.00 175.30 176.25 3h2u s PHE 162 N 2.87 -0.42 0.73 0.00 -0.12 -0.84 -4.97 117.98 115.23 3h2u s PHE 162 Ca 0.17 1.00 -0.11 0.00 -0.05 0.00 0.00 56.93 57.93 3h2u s PHE 162 Cb -0.13 0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.44 3h2u s PHE 162 CO -0.21 -0.22 1.09 -0.51 -0.05 0.00 0.00 175.22 175.33 3h2u s LEU 163 N 0.49 2.83 -0.20 -1.99 2.01 -1.26 -1.11 118.68 119.44 3h2u s LEU 163 Ca -0.02 1.22 0.01 0.00 0.01 0.00 0.00 54.13 55.34 3h2u s LEU 163 Cb -0.04 -3.97 0.03 0.00 0.01 0.00 0.00 46.19 42.22 3h2u s LEU 163 CO -0.03 -1.52 -0.16 -0.69 1.01 0.00 0.00 176.35 174.96 3h2u s VAL 164 N -3.28 2.21 0.32 -1.59 1.01 -0.89 -4.87 120.40 113.31 3h2u s VAL 164 Ca 0.59 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3h2u s VAL 164 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3h2u s VAL 164 CO 0.53 0.40 0.29 -0.31 0.00 0.00 0.00 175.10 176.01 3h2u s TYR 165 N 1.27 2.97 0.33 5.22 1.51 -1.26 -0.13 117.35 127.26 3h2u s TYR 165 Ca 0.02 -0.25 -0.28 0.00 -1.01 0.00 0.00 57.07 55.55 3h2u s TYR 165 Cb -0.15 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.87 3h2u s TYR 165 CO -0.10 0.23 1.17 0.45 -1.11 0.00 0.00 175.55 176.19 3h2u s SER 166 N -3.98 6.89 0.07 2.29 0.15 -0.61 -4.85 113.70 113.66 3h2u s SER 166 Ca 0.40 2.40 -0.22 0.00 0.70 0.00 0.00 55.95 59.22 3h2u s SER 166 Cb -0.07 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.48 3h2u s SER 166 CO 0.27 -0.42 1.60 -0.33 1.20 0.00 0.00 173.24 175.56 3h2u h GLU 167 N 3.29 0.13 0.00 5.44 4.39 -1.98 -1.63 114.58 124.22 3h2u h GLU 167 Ca -0.48 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3h2u h GLU 167 Cb 1.22 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3h2u h GLU 167 CO 0.65 0.25 0.00 2.89 -1.16 0.00 0.00 179.01 181.64 3h2u n ARG 168 N -4.93 0.00 -0.18 2.33 1.85 -1.26 -4.35 116.66 110.12 3h2u n ARG 168 Ca -0.06 0.37 -0.01 0.00 -1.00 0.00 0.00 57.85 57.15 3h2u n ARG 168 Cb 0.11 -1.15 0.08 0.00 -1.05 0.00 0.00 32.46 30.46 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 0.65 0.00 8.89 1.35 -1.99 -3.47 112.91 118.34 3h2u h THR 169 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3h2u h THR 169 Cb 0.00 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 3h2u h THR 169 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 3h2u n GLY 170 N -1.31 0.75 3.80 5.82 0.00 -0.61 -4.83 105.19 108.80 3h2u n GLY 170 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.48 4.03 0.10 1.61 -1.52 -1.26 -4.70 119.66 117.45 3h2u s GLN 171 Ca 0.00 0.32 -0.36 0.00 -1.95 0.00 0.00 55.36 53.37 3h2u s GLN 171 Cb 0.00 -3.30 -0.17 0.00 -0.22 0.00 0.00 33.01 29.32 3h2u s GLN 171 CO 0.00 0.51 1.29 0.45 -0.25 0.00 0.00 175.29 177.29 3h2u n SER 172 N 2.53 1.53 0.00 5.90 2.88 -1.26 -1.57 113.62 123.63 3h2u n SER 172 Ca -0.13 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.66 3h2u n SER 172 Cb 0.52 -1.19 0.73 0.00 -0.75 0.00 0.00 64.21 63.52 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 2.33 0.96 -0.85 -1.46 5.02 0.82 -4.85 118.16 120.12 3h2u n LYS 173 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3h2u n LYS 173 Cb 0.20 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.83 0.48 3.37 0.72 0.00 -1.26 -4.12 105.19 105.20 3h2u n GLY 174 Ca 0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.23 0.33 1.61 1.13 -1.26 -0.86 117.35 116.07 3h2u s TYR 175 Ca 0.00 -0.08 -0.16 0.00 -1.41 0.00 0.00 57.07 55.42 3h2u s TYR 175 Cb 0.00 0.32 0.03 0.00 -1.10 0.00 0.00 41.96 41.21 3h2u s TYR 175 CO 0.00 -0.76 0.70 0.20 -2.51 0.00 0.00 175.55 173.18 3h2u s GLY 176 N -2.81 0.32 0.08 5.49 0.00 -0.89 -2.10 107.32 107.41 3h2u s GLY 176 Ca 0.04 -0.67 0.08 0.00 0.00 0.00 0.00 44.72 44.17 3h2u s GLY 176 CO -0.10 -0.33 -0.22 -1.36 0.00 0.00 0.00 173.10 171.09 3h2u s PHE 177 N -3.16 1.88 -0.03 1.90 0.08 -0.27 -0.50 117.98 117.88 3h2u s PHE 177 Ca 0.16 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 3h2u s PHE 177 Cb -0.05 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.37 3h2u s PHE 177 CO 0.10 0.17 0.04 0.00 -0.10 0.00 0.00 175.22 175.44 3h2u s ALA 178 N -0.99 0.15 -0.15 5.36 0.00 -0.43 -1.98 121.76 123.71 3h2u s ALA 178 Ca 0.08 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.31 3h2u s ALA 178 Cb -0.10 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.61 3h2u s ALA 178 CO 0.03 -0.29 -0.21 -2.00 0.00 0.00 0.00 175.76 173.29 3h2u s GLU 179 N 1.60 3.02 0.68 0.00 2.12 -0.70 -0.60 118.70 124.81 3h2u s GLU 179 Ca -0.02 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.47 3h2u s GLU 179 Cb -0.13 -2.48 0.11 0.00 0.26 0.00 0.00 34.13 31.89 3h2u s GLU 179 CO -0.03 -0.07 0.94 0.71 -0.54 0.00 0.00 175.26 176.27 3h2u s TYR 180 N 0.94 1.82 -0.16 5.30 1.51 -0.99 0.71 117.35 126.48 3h2u s TYR 180 Ca -0.04 -0.25 0.17 0.00 -1.01 0.00 0.00 57.07 55.94 3h2u s TYR 180 Cb -0.15 -2.89 -0.01 0.00 -0.11 0.00 0.00 41.96 38.80 3h2u s TYR 180 CO -0.05 -1.52 1.17 0.52 -1.11 0.00 0.00 175.55 174.57 3h2u h MET 181 N -0.37 0.00 -6.02 -0.62 2.86 -1.56 -3.40 114.93 105.81 3h2u h MET 181 Ca -0.37 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 56.64 3h2u h MET 181 Cb 1.27 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.63 3h2u h MET 181 CO 0.43 0.36 -0.86 0.15 1.06 0.00 0.00 176.91 178.05 3h2u s LYS 182 N -2.99 1.90 0.44 1.72 -0.14 -1.26 -5.00 119.74 114.41 3h2u s LYS 182 Ca 0.01 -0.78 0.19 0.00 -1.36 0.00 0.00 55.97 54.03 3h2u s LYS 182 Cb 0.08 -1.77 1.03 0.00 -1.68 0.00 0.00 37.83 35.49 3h2u s LYS 182 CO 0.77 0.43 1.93 -0.22 -0.76 0.00 0.00 175.35 177.50 3h2u h LYS 183 N 5.75 0.00 -0.68 1.68 3.64 -1.93 -2.37 116.57 122.66 3h2u h LYS 183 Ca -0.38 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.11 3h2u h LYS 183 Cb 1.15 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 3h2u h LYS 183 CO 0.48 0.24 0.28 0.22 -2.27 0.00 0.00 179.45 178.40 3h2u h ASP 184 N 0.00 0.30 -0.05 4.20 1.82 -1.99 -1.27 116.42 119.43 3h2u h ASP 184 Ca -0.00 0.08 -0.21 0.00 -0.39 0.00 0.00 57.03 56.51 3h2u h ASP 184 Cb 0.51 0.05 0.01 0.00 0.68 0.00 0.00 39.33 40.58 3h2u h ASP 184 CO 0.03 0.16 -0.80 0.28 -1.61 0.00 0.00 179.24 177.30 3h2u h SER 185 N 0.47 0.79 -0.66 2.28 0.02 -1.67 -2.45 113.55 112.33 3h2u h SER 185 Ca 0.35 -0.70 0.10 0.00 -0.84 0.00 0.00 61.79 60.70 3h2u h SER 185 Cb 0.45 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3h2u h SER 185 CO -0.33 1.38 0.44 0.00 -1.14 0.00 0.00 176.83 177.19 3h2u h ALA 186 N 0.43 1.97 0.39 3.77 0.00 -1.40 -0.37 119.26 124.05 3h2u h ALA 186 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h2u h ALA 186 Cb 1.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3h2u h ALA 186 CO 0.16 -0.12 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 3h2u h ALA 187 N 1.67 -0.52 -0.42 0.00 0.00 -1.17 -1.83 119.26 116.99 3h2u h ALA 187 Ca 0.31 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3h2u h ALA 187 Cb 0.56 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 3h2u h ALA 187 CO -0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 179.25 178.35 3h2u h ARG 188 N -0.85 -0.08 0.30 0.00 3.08 -0.84 -2.40 114.38 113.59 3h2u h ARG 188 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3h2u h ARG 188 Cb 0.54 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3h2u h ARG 188 CO 0.09 -0.05 -0.30 0.00 -1.07 0.00 0.00 179.97 178.64 3h2u h ALA 189 N 1.25 -0.62 -0.57 0.04 0.00 -1.12 -0.95 119.26 117.28 3h2u h ALA 189 Ca 0.21 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3h2u h ALA 189 Cb 0.40 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3h2u h ALA 189 CO -0.48 -0.88 0.39 -0.22 0.00 0.00 0.00 179.25 178.05 3h2u h LYS 190 N -0.62 0.28 -0.01 0.00 3.64 -1.14 0.51 116.57 119.23 3h2u h LYS 190 Ca -0.01 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3h2u h LYS 190 Cb 0.57 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3h2u h LYS 190 CO -0.06 0.19 -0.04 1.03 -2.27 0.00 0.00 179.45 178.30 3h2u h SER 191 N 0.29 0.05 1.06 4.20 0.87 -1.16 -2.16 113.55 116.70 3h2u h SER 191 Ca 0.27 -0.67 -0.07 0.00 -1.23 0.00 0.00 61.79 60.09 3h2u h SER 191 Cb 0.66 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3h2u h SER 191 CO -0.06 0.71 -0.32 0.44 -0.53 0.00 0.00 176.83 177.08 3h2u h ASP 192 N -0.61 0.00 0.10 6.23 3.45 -0.42 -3.34 116.42 121.83 3h2u h ASP 192 Ca -0.00 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.10 3h2u h ASP 192 Cb 0.71 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.42 3h2u h ASP 192 CO 0.01 0.32 -2.25 0.18 -1.57 0.00 0.00 179.24 175.93 3h2u n LEU 193 N -3.38 1.40 -4.68 1.55 4.77 0.17 -4.46 117.00 112.36 3h2u n LEU 193 Ca 0.01 0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 3h2u n LEU 193 Cb 0.52 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 3h2u n LEU 193 CO 0.36 0.66 1.51 -0.22 -1.33 0.00 0.00 177.39 178.37 3h2u s LEU 194 N -6.11 4.41 0.00 2.23 2.96 -0.81 -1.01 118.68 120.34 3h2u s LEU 194 Ca -0.18 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 3h2u s LEU 194 Cb 0.07 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.21 3h2u s LEU 194 CO 0.75 -1.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 3h2u n GLY 195 N 4.32 2.98 3.56 7.98 0.00 0.39 -4.96 105.19 119.47 3h2u n GLY 195 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3h2u n GLY 195 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h2u n LYS 196 N -1.36 1.15 -3.32 1.61 4.81 -0.18 -4.22 118.16 116.65 3h2u n LYS 196 Ca 0.00 0.40 -0.38 0.00 -0.87 0.00 0.00 58.31 57.46 3h2u n LYS 196 Cb 0.00 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.27 3h2u n LYS 196 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3h2u s PRO 197 N -1.46 4.17 -0.13 1.64 0.04 -1.26 -0.32 135.00 137.68 3h2u s PRO 197 Ca 0.60 0.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.26 3h2u s PRO 197 Cb -0.74 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 30.56 3h2u s PRO 197 CO 0.59 0.56 -0.07 -1.17 0.04 0.00 0.00 177.00 176.95 3h2u s LEU 198 N -0.77 1.32 0.00 -3.56 0.20 -0.39 -4.95 118.68 110.52 3h2u s LEU 198 Ca 0.28 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.68 3h2u s LEU 198 Cb -0.18 -0.87 0.00 0.00 -0.43 0.00 0.00 46.19 44.71 3h2u s LEU 198 CO 0.17 -0.14 0.00 0.61 -0.29 0.00 0.00 176.35 176.70 3h2u n GLY 199 N 4.92 2.47 0.22 7.98 0.00 -1.26 -1.17 105.19 118.35 3h2u n GLY 199 Ca -0.12 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 1.28 -4.18 1.61 -0.04 -1.26 -4.85 135.00 141.57 3h2u n PRO 200 Ca 0.00 -0.44 -0.27 0.00 -0.04 0.00 0.00 63.50 62.76 3h2u n PRO 200 Cb 0.00 -1.10 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.84 2.51 -0.20 0.54 1.81 -0.31 -5.11 118.95 116.33 3h2u s ARG 201 Ca 0.09 -1.05 -0.02 0.00 -1.72 0.00 0.00 55.73 53.03 3h2u s ARG 201 Cb 0.05 -2.42 0.00 0.00 -0.45 0.00 0.00 34.95 32.13 3h2u s ARG 201 CO 0.06 0.46 -0.11 0.99 -0.68 0.00 0.00 175.30 176.03 3h2u s THR 202 N -1.71 2.84 0.48 0.02 2.01 -1.26 -1.27 115.64 116.75 3h2u s THR 202 Ca 0.28 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 3h2u s THR 202 Cb -0.10 -2.26 -0.07 0.00 0.01 0.00 0.00 72.50 70.08 3h2u s THR 202 CO 0.19 0.47 1.42 0.18 -0.69 0.00 0.00 174.62 176.20 3h2u n LEU 203 N 4.70 5.33 -4.02 4.42 4.77 0.57 -4.81 117.00 127.95 3h2u n LEU 203 Ca -0.19 1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 56.55 3h2u n LEU 203 Cb 0.51 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 3h2u n LEU 203 CO 0.28 -0.26 -0.46 -0.47 -1.33 0.00 0.00 177.39 175.15 3h2u s TYR 204 N -1.22 2.78 -0.04 -1.77 5.04 -0.87 -0.46 117.35 120.81 3h2u s TYR 204 Ca 0.65 -1.93 -0.03 0.00 -2.44 0.00 0.00 57.07 53.32 3h2u s TYR 204 Cb -0.44 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.07 3h2u s TYR 204 CO 0.55 -0.81 0.14 0.08 -1.34 0.00 0.00 175.55 174.16 3h2u s VAL 205 N 1.27 5.22 -0.16 3.14 1.01 -1.26 -0.38 120.40 129.24 3h2u s VAL 205 Ca -0.05 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3h2u s VAL 205 Cb -0.18 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3h2u s VAL 205 CO -0.07 0.43 0.44 -1.38 0.00 0.00 0.00 175.10 174.52 3h2u s HIS 206 N -1.18 -0.48 0.19 5.22 -0.00 -0.54 -4.93 115.29 113.57 3h2u s HIS 206 Ca 0.22 1.15 -0.30 0.00 -0.00 0.00 0.00 55.06 56.13 3h2u s HIS 206 Cb -0.12 0.16 -0.08 0.00 -0.00 0.00 0.00 32.58 32.54 3h2u s HIS 206 CO 0.12 -0.24 1.22 -1.58 -0.00 0.00 0.00 174.74 174.27 3h2u s TRP 207 N 0.19 3.39 -0.11 0.38 0.52 -1.26 -0.80 118.94 121.25 3h2u s TRP 207 Ca -0.00 1.38 0.02 0.00 0.02 0.00 0.00 56.10 57.52 3h2u s TRP 207 Cb -0.03 -3.47 -0.01 0.00 -1.15 0.00 0.00 33.47 28.81 3h2u s TRP 207 CO 0.01 -1.35 -0.19 0.99 0.02 0.00 0.00 176.95 176.43 3h2u s THR 208 N -0.02 2.49 0.21 2.01 2.01 -0.32 -4.93 115.64 117.09 3h2u s THR 208 Ca 0.54 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.58 3h2u s THR 208 Cb -0.33 -1.99 0.15 0.00 0.01 0.00 0.00 72.50 70.33 3h2u s THR 208 CO 0.37 0.55 1.78 0.44 -0.69 0.00 0.00 174.62 177.07 3h2u h ASP 209 N 6.65 1.06 -5.46 3.53 3.45 -1.91 -3.41 116.42 120.33 3h2u h ASP 209 Ca -0.23 -0.16 -0.42 0.00 0.43 0.00 0.00 57.03 56.66 3h2u h ASP 209 Cb 1.22 -0.27 0.06 0.00 -0.56 0.00 0.00 39.33 39.78 3h2u h ASP 209 CO 0.51 0.92 -0.66 0.00 -1.57 0.00 0.00 179.24 178.44 3h2u n ALA 210 N -2.42 -1.18 -3.44 3.45 0.00 -1.26 -4.65 120.51 111.02 3h2u n ALA 210 Ca 0.07 0.31 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 3h2u n ALA 210 Cb 0.17 -4.61 0.05 0.00 0.00 0.00 0.00 19.45 15.06 3h2u n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2u n GLY 211 N -1.73 -0.53 3.29 0.00 0.00 -1.26 -4.91 105.19 100.05 3h2u n GLY 211 Ca -0.03 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3h2u n GLY 211 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h2u s GLN 212 N -6.14 3.17 -0.11 1.61 1.03 -1.26 -4.82 119.66 113.14 3h2u s GLN 212 Ca 0.49 -0.80 0.03 0.00 0.04 0.00 0.00 55.36 55.12 3h2u s GLN 212 Cb -0.23 -2.44 -0.01 0.00 0.03 0.00 0.00 33.01 30.37 3h2u s GLN 212 CO 0.61 0.21 -0.20 -0.48 -2.54 0.00 0.00 175.29 172.89 3h2u s LEU 213 N 0.31 2.33 0.76 2.60 2.34 -1.26 -5.03 118.68 120.73 3h2u s LEU 213 Ca -0.15 -0.46 -0.06 0.00 0.06 0.00 0.00 54.13 53.52 3h2u s LEU 213 Cb -0.17 -1.48 0.12 0.00 -0.56 0.00 0.00 46.19 44.09 3h2u s LEU 213 CO 0.07 0.17 1.06 0.42 -1.06 0.00 0.00 176.35 177.01 3h2u s THR 214 N 0.29 2.19 0.47 5.48 -4.23 -1.26 -4.87 115.64 113.70 3h2u s THR 214 Ca -0.14 -0.38 0.40 0.00 -1.18 0.00 0.00 61.69 60.38 3h2u s THR 214 Cb -0.17 -2.81 0.42 0.00 1.34 0.00 0.00 72.50 71.28 3h2u s THR 214 CO 0.07 0.00 2.23 -0.65 -0.54 0.00 0.00 174.62 175.73 3h2u h PRO 215 N -0.75 0.00 -0.53 3.99 0.11 -2.01 -2.06 132.00 130.75 3h2u h PRO 215 Ca -0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 3h2u h PRO 215 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3h2u h PRO 215 CO 0.46 0.01 -0.09 0.00 -0.21 0.00 0.00 178.00 178.17 3h2u h ALA 216 N 1.99 0.72 0.00 -0.75 0.00 -1.96 -3.02 119.26 116.24 3h2u h ALA 216 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3h2u h ALA 216 Cb 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3h2u h ALA 216 CO 0.00 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.15 3h2u n LEU 217 N -4.19 0.60 0.21 0.00 7.99 -0.80 -3.22 117.00 117.59 3h2u n LEU 217 Ca 0.01 0.56 0.06 0.00 -0.01 0.00 0.00 56.01 56.63 3h2u n LEU 217 Cb 0.39 -0.38 0.46 0.00 -0.11 0.00 0.00 43.42 43.77 3h2u n LEU 217 CO 0.45 -0.17 0.79 -0.07 -1.51 0.00 0.00 177.39 176.88 3h2u h LEU 218 N 0.00 0.00 -8.76 2.23 3.38 -1.35 -3.41 115.31 107.40 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 0.65 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.27 3h2u h LEU 218 CO 0.00 0.29 0.28 -1.00 0.09 0.00 0.00 178.44 178.11 3h2u s HIS 219 N -4.11 3.11 0.77 1.13 3.76 -1.20 -4.71 115.29 114.04 3h2u s HIS 219 Ca -0.02 0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 55.16 3h2u s HIS 219 Cb 0.13 -3.35 0.06 0.00 1.11 0.00 0.00 32.58 30.53 3h2u s HIS 219 CO 0.68 -0.74 1.16 0.45 -0.85 0.00 0.00 174.74 175.44 3h2u s SER 220 N 1.87 4.09 -0.00 1.40 0.15 -1.26 -4.68 113.70 115.28 3h2u s SER 220 Ca 0.28 2.19 0.04 0.00 0.70 0.00 0.00 55.95 59.16 3h2u s SER 220 Cb -0.13 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 3h2u s SER 220 CO 0.17 -2.32 0.14 0.54 1.20 0.00 0.00 173.24 172.97 3h2u n ARG 221 N -3.13 3.54 -4.00 5.44 3.00 -1.26 -4.42 116.66 115.83 3h2u n ARG 221 Ca 0.12 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.85 57.60 3h2u n ARG 221 Cb 0.51 -0.85 -0.06 0.00 0.00 0.00 0.00 32.46 32.06 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 -1.57 2.58 -0.12 0.00 1.43 -0.14 -0.43 118.68 120.43 3h2u s LEU 223 Ca 0.22 -1.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3h2u s LEU 223 Cb -0.12 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.20 3h2u s LEU 223 CO 0.12 -0.05 -0.10 0.00 0.23 0.00 0.00 176.35 176.55 3h2u s VAL 225 N 1.58 4.79 0.00 0.00 1.01 0.32 -0.22 120.40 127.89 3h2u s VAL 225 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3h2u s VAL 225 Cb -0.13 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3h2u s VAL 225 CO -0.08 0.22 0.00 -0.90 0.00 0.00 0.00 175.10 174.33 3h2u n ASP 226 N 5.00 0.88 -0.70 3.32 5.75 -0.22 -0.44 116.55 130.15 3h2u n ASP 226 Ca -0.15 -0.74 -0.09 0.00 -0.01 0.00 0.00 54.79 53.81 3h2u n ASP 226 Cb 0.51 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.56 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 0.00 -0.65 -2.09 0.11 3.00 -1.24 -1.68 116.66 114.11 3h2u n ARG 227 Ca 0.00 0.82 -0.38 0.00 -0.01 0.00 0.00 57.85 58.27 3h2u n ARG 227 Cb 0.00 -4.71 -0.00 0.00 0.00 0.00 0.00 32.46 27.75 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 -2.08 4.10 0.82 0.55 1.43 -1.25 -4.54 118.68 117.72 3h2u s LEU 228 Ca 0.00 2.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 3h2u s LEU 228 Cb 0.00 -4.06 0.09 0.00 0.03 0.00 0.00 46.19 42.24 3h2u s LEU 228 CO 0.00 -0.96 1.21 -2.84 0.23 0.00 0.00 176.35 173.99 3h2u s PRO 229 N -2.47 1.55 0.31 1.29 0.02 -1.26 -4.87 135.00 129.57 3h2u s PRO 229 Ca 0.61 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 3h2u s PRO 229 Cb -0.35 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.28 3h2u s PRO 229 CO 0.44 -2.28 1.40 -2.30 -0.33 0.00 0.00 177.00 173.93 3h2u n PRO 230 N -3.38 2.26 -0.67 5.54 -0.02 -1.26 -1.27 135.00 136.20 3h2u n PRO 230 Ca 0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3h2u n PRO 230 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.41 0.25 3.77 -1.23 0.00 -1.26 -4.85 105.19 103.29 3h2u n GLY 231 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.75 2.86 -0.51 1.61 5.36 -0.40 -4.95 117.98 120.20 3h2u s PHE 232 Ca 0.00 1.32 0.06 0.00 -0.96 0.00 0.00 56.93 57.35 3h2u s PHE 232 Cb 0.00 -3.82 0.22 0.00 -0.34 0.00 0.00 43.02 39.08 3h2u s PHE 232 CO 0.00 -2.32 0.52 -1.71 -1.46 0.00 0.00 175.22 170.25 3h2u n ASN 233 N 0.65 1.36 -4.20 6.13 2.85 -1.26 -4.96 115.26 115.83 3h2u n ASN 233 Ca 0.00 -2.88 -0.32 0.00 -0.11 0.00 0.00 54.58 51.28 3h2u n ASN 233 Cb 0.41 -0.65 -0.17 0.00 1.24 0.00 0.00 39.78 40.61 3h2u n ASN 233 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 3h2u s ASP 234 N -1.22 3.00 0.19 1.20 1.01 -1.26 -4.88 116.67 114.70 3h2u s ASP 234 Ca 0.34 -0.55 -0.10 0.00 0.71 0.00 0.00 52.55 52.96 3h2u s ASP 234 Cb 0.09 -1.37 0.11 0.00 1.01 0.00 0.00 42.92 42.76 3h2u s ASP 234 CO -0.12 0.14 1.73 0.58 0.21 0.00 0.00 175.17 177.71 3h2u h VAL 235 N 5.74 1.25 0.00 -1.27 2.07 -1.95 -3.43 116.25 118.66 3h2u h VAL 235 Ca -0.21 -0.86 -0.44 0.00 0.82 0.00 0.00 66.70 66.01 3h2u h VAL 235 Cb 1.23 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3h2u h VAL 235 CO 0.48 0.33 -2.51 0.47 0.02 0.00 0.00 177.57 176.37 3h2u n ASP 236 N -4.33 1.94 0.24 0.57 10.43 -1.26 -2.89 116.55 121.24 3h2u n ASP 236 Ca 0.05 0.23 -0.16 0.00 2.57 0.00 0.00 54.79 57.49 3h2u n ASP 236 Cb 0.21 -0.72 -0.08 0.00 1.84 0.00 0.00 41.12 42.38 3h2u n ASP 236 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3h2u h ALA 237 N -0.77 -0.70 -0.22 2.24 0.00 -1.92 0.26 119.26 118.15 3h2u h ALA 237 Ca -0.67 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.18 3h2u h ALA 237 Cb 1.66 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 3h2u h ALA 237 CO -0.35 -0.92 -0.32 1.25 0.00 0.00 0.00 179.25 178.91 3h2u h LEU 238 N -0.69 -1.03 -1.86 0.00 6.46 -1.83 0.65 115.31 117.00 3h2u h LEU 238 Ca -0.04 0.16 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 3h2u h LEU 238 Cb 0.60 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 40.98 3h2u h LEU 238 CO 0.00 -0.35 -0.13 0.00 -0.62 0.00 0.00 178.44 177.35 3h2u h ARG 240 N 0.00 0.69 -0.44 0.00 9.65 0.13 -3.08 114.38 121.33 3h2u h ARG 240 Ca -0.00 -0.76 0.02 0.00 -1.10 0.00 0.00 59.98 58.14 3h2u h ARG 240 Cb 0.35 0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 3h2u h ARG 240 CO 0.02 1.33 0.26 0.00 2.80 0.00 0.00 179.97 184.37 3h2u h ALA 241 N 0.41 0.56 0.00 2.80 0.00 0.15 -2.60 119.26 120.58 3h2u h ALA 241 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h2u h ALA 241 Cb 1.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3h2u h ALA 241 CO 0.21 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3h2u n LEU 242 N -4.84 0.00 -0.85 0.00 4.77 -0.19 -2.51 117.00 113.38 3h2u n LEU 242 Ca 0.02 0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.11 3h2u n LEU 242 Cb 0.07 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.26 3h2u n LEU 242 CO 0.32 -0.00 0.59 -1.20 -1.33 0.00 0.00 177.39 175.77 3h2u n SER 243 N -1.01 2.82 0.00 -1.43 7.64 -0.98 -4.56 113.62 116.10 3h2u n SER 243 Ca 0.14 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.17 3h2u n SER 243 Cb 0.07 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.14 1.22 0.00 -0.43 0.00 -1.04 -3.01 120.51 118.38 3h2u n ALA 244 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3h2u n ALA 244 Cb 0.50 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.79 0.00 -3.75 0.00 0.31 -1.26 -5.13 118.33 107.71 3h2u n VAL 245 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3h2u n VAL 245 Cb 0.00 -0.10 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 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 -1.22 -0.02 -0.11 3.52 3.76 -1.16 -5.05 115.29 115.00 3h2u s HIS 246 Ca 0.00 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.44 3h2u s HIS 246 Cb 0.00 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.75 3h2u s HIS 246 CO 0.00 -0.64 0.24 -1.12 -0.85 0.00 0.00 174.74 172.38 3h2u s SER 247 N -2.84 6.48 0.14 1.40 0.01 -1.26 -4.04 113.70 113.59 3h2u s SER 247 Ca 0.05 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.57 3h2u s SER 247 Cb 0.03 -2.14 -0.07 0.00 0.21 0.00 0.00 66.02 64.04 3h2u s SER 247 CO -0.11 0.28 1.21 -2.16 0.41 0.00 0.00 173.24 172.87 3h2u s PRO 248 N -0.46 4.46 0.02 12.44 0.04 -1.26 -4.60 135.00 145.65 3h2u s PRO 248 Ca 0.17 1.86 0.28 0.00 0.04 0.00 0.00 61.00 63.34 3h2u s PRO 248 Cb -0.13 -3.27 0.98 0.00 0.04 0.00 0.00 34.50 32.12 3h2u s PRO 248 CO 0.05 -0.16 1.76 0.25 0.04 0.00 0.00 177.00 178.94 3h2u n THR 249 N 3.02 0.06 -3.67 1.26 -2.24 -0.39 -4.82 114.28 107.49 3h2u n THR 249 Ca 0.06 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3h2u n THR 249 Cb 0.45 -0.30 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 3h2u n THR 249 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3h2u s PHE 250 N -3.02 -0.32 -0.30 4.78 2.19 -1.23 -4.93 117.98 115.16 3h2u s PHE 250 Ca 0.13 0.45 -0.18 0.00 0.33 0.00 0.00 56.93 57.66 3h2u s PHE 250 Cb 0.18 0.21 0.17 0.00 -1.31 0.00 0.00 43.02 42.27 3h2u s PHE 250 CO 0.59 -0.50 1.24 0.00 1.83 0.00 0.00 175.22 178.38 3h2u s GLN 252 N 3.00 0.90 0.76 0.00 -0.21 -1.08 -5.02 119.66 118.00 3h2u s GLN 252 Ca -0.06 -0.76 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 3h2u s GLN 252 Cb -0.07 0.38 0.10 0.00 1.00 0.00 0.00 33.01 34.42 3h2u s GLN 252 CO -0.08 -0.31 1.07 -0.51 -2.12 0.00 0.00 175.29 173.33 3h2u s LEU 253 N -2.63 2.85 -0.56 2.90 1.02 -1.26 -2.23 118.68 118.76 3h2u s LEU 253 Ca 0.02 0.22 -0.16 0.00 0.02 0.00 0.00 54.13 54.23 3h2u s LEU 253 Cb 0.02 -2.69 0.13 0.00 0.02 0.00 0.00 46.19 43.68 3h2u s LEU 253 CO -0.09 -1.87 0.52 0.00 0.02 0.00 0.00 176.35 174.92 3h2u s ALA 254 N -3.34 3.66 -0.35 4.21 0.00 -0.47 -4.86 121.76 120.61 3h2u s ALA 254 Ca 0.64 -2.57 -0.10 0.00 0.00 0.00 0.00 51.96 49.93 3h2u s ALA 254 Cb -0.08 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.77 3h2u s ALA 254 CO 0.46 -2.05 0.18 0.00 0.00 0.00 0.00 175.76 174.35 3h2u n GLY 256 N 4.97 -2.34 2.00 0.00 0.00 0.05 -4.90 105.19 104.97 3h2u n GLY 256 Ca -0.12 -1.19 -0.07 0.00 0.00 0.00 0.00 46.02 44.64 3h2u n GLY 256 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h2u n GLN 257 N -4.66 3.61 0.00 1.61 1.13 -1.26 -3.07 117.38 114.73 3h2u n GLN 257 Ca 0.02 -2.97 0.05 0.00 -1.94 0.00 0.00 57.00 52.16 3h2u n GLN 257 Cb 0.55 -2.19 -0.02 0.00 0.11 0.00 0.00 30.24 28.69 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 -0.16 0.92 0.00 1.08 10.43 -1.26 -4.91 116.55 122.64 3h2u n ASP 258 Ca 0.41 -0.96 0.00 0.00 2.57 0.00 0.00 54.79 56.81 3h2u n ASP 258 Cb 1.38 0.66 0.00 0.00 1.84 0.00 0.00 41.12 45.00 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 1.00 3.24 2.96 0.44 0.00 -1.17 -5.06 105.19 106.60 3h2u n GLY 259 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.96 -1.59 -4.08 1.61 1.13 -1.26 -4.51 117.38 106.72 3h2u n GLN 260 Ca 0.00 -0.47 -0.25 0.00 -1.94 0.00 0.00 57.00 54.34 3h2u n GLN 260 Cb 0.00 -1.34 -0.17 0.00 0.11 0.00 0.00 30.24 28.84 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 2.43 1.25 0.02 1.08 1.43 -1.26 -0.77 118.68 122.87 3h2u s LEU 261 Ca 0.28 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 3h2u s LEU 261 Cb -0.04 -0.76 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 3h2u s LEU 261 CO 0.29 -0.08 0.38 -0.54 0.23 0.00 0.00 176.35 176.62 3h2u s LYS 262 N 1.41 3.80 -0.29 1.70 -0.14 0.51 -4.86 119.74 121.87 3h2u s LYS 262 Ca -0.01 0.25 -0.03 0.00 -1.36 0.00 0.00 55.97 54.81 3h2u s LYS 262 Cb -0.13 -3.12 -0.09 0.00 -1.68 0.00 0.00 37.83 32.81 3h2u s LYS 262 CO -0.04 0.64 1.91 0.41 -0.76 0.00 0.00 175.35 177.51 3h2u n GLY 263 N 1.42 2.27 3.83 -3.33 0.00 -1.26 -4.18 105.19 103.93 3h2u n GLY 263 Ca -0.12 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 2.74 0.04 0.02 1.61 -0.12 -1.26 -3.65 117.98 117.35 3h2u s PHE 264 Ca 0.31 -0.59 -0.15 0.00 -0.05 0.00 0.00 56.93 56.45 3h2u s PHE 264 Cb 0.12 0.77 0.03 0.00 -0.63 0.00 0.00 43.02 43.31 3h2u s PHE 264 CO -0.01 -1.31 0.34 0.00 -0.05 0.00 0.00 175.22 174.19 3h2u s ALA 265 N -2.62 -0.80 -0.06 1.99 0.00 0.42 -1.37 121.76 119.31 3h2u s ALA 265 Ca 0.16 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.36 3h2u s ALA 265 Cb -0.04 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3h2u s ALA 265 CO 0.09 -0.37 -0.18 0.08 0.00 0.00 0.00 175.76 175.37 3h2u s VAL 266 N -2.11 1.54 0.27 0.00 1.01 -0.95 -0.53 120.40 119.65 3h2u s VAL 266 Ca -0.08 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.23 3h2u s VAL 266 Cb -0.02 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3h2u s VAL 266 CO -0.00 0.44 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 3h2u s LEU 267 N 0.22 2.57 0.07 3.92 1.43 -0.61 -2.64 118.68 123.65 3h2u s LEU 267 Ca -0.09 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 51.93 3h2u s LEU 267 Cb -0.14 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 3h2u s LEU 267 CO 0.04 -0.18 -0.09 -0.70 0.23 0.00 0.00 176.35 175.64 3h2u s GLU 268 N -3.63 0.72 0.03 1.70 2.12 -1.00 -0.96 118.70 117.67 3h2u s GLU 268 Ca 0.28 -0.99 0.01 0.00 0.36 0.00 0.00 54.97 54.63 3h2u s GLU 268 Cb 0.00 -0.45 -0.02 0.00 0.26 0.00 0.00 34.13 33.92 3h2u s GLU 268 CO 0.12 0.07 -0.06 0.71 -0.54 0.00 0.00 175.26 175.57 3h2u s TYR 269 N -1.98 0.49 0.19 5.30 1.51 -0.82 -1.27 117.35 120.78 3h2u s TYR 269 Ca -0.01 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.39 3h2u s TYR 269 Cb -0.06 -0.31 0.21 0.00 -0.11 0.00 0.00 41.96 41.69 3h2u s TYR 269 CO -0.00 -0.14 1.66 0.93 -1.11 0.00 0.00 175.55 176.89 3h2u h GLU 270 N 4.53 0.05 -5.87 -0.62 5.08 -1.89 -3.44 114.58 112.42 3h2u h GLU 270 Ca -0.34 -0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.39 3h2u h GLU 270 Cb 1.20 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.31 3h2u h GLU 270 CO 0.41 0.03 -0.66 0.95 -1.00 0.00 0.00 179.01 178.75 3h2u s THR 271 N -6.19 2.18 -0.20 1.13 -4.23 -1.26 -5.01 115.64 102.06 3h2u s THR 271 Ca -0.14 -2.16 0.29 0.00 -1.18 0.00 0.00 61.69 58.50 3h2u s THR 271 Cb 0.17 -2.73 0.32 0.00 1.34 0.00 0.00 72.50 71.60 3h2u s THR 271 CO 0.73 -0.16 1.85 0.00 -0.54 0.00 0.00 174.62 176.50 3h2u h ALA 272 N 1.97 1.00 0.23 3.99 0.00 -1.83 -2.62 119.26 121.99 3h2u h ALA 272 Ca -0.42 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.15 3h2u h ALA 272 Cb 1.25 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.07 3h2u h ALA 272 CO 0.73 0.00 -1.54 1.49 0.00 0.00 0.00 179.25 179.93 3h2u h GLU 273 N 0.00 0.49 -0.16 0.00 4.81 -1.94 -1.80 114.58 115.98 3h2u h GLU 273 Ca 0.00 -0.84 -0.12 0.00 -0.13 0.00 0.00 59.36 58.27 3h2u h GLU 273 Cb 0.43 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3h2u h GLU 273 CO 0.00 1.40 -0.43 0.52 -0.73 0.00 0.00 179.01 179.77 3h2u h MET 274 N 0.11 0.38 0.59 1.92 2.86 -1.92 -1.33 114.93 117.54 3h2u h MET 274 Ca -0.28 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 3h2u h MET 274 Cb 2.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.80 3h2u h MET 274 CO 0.24 0.75 -0.28 0.00 1.06 0.00 0.00 176.91 178.68 3h2u h ALA 275 N 1.23 -0.79 -0.61 6.32 0.00 -1.53 -1.83 119.26 122.04 3h2u h ALA 275 Ca 0.02 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.85 3h2u h ALA 275 Cb 0.89 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 3h2u h ALA 275 CO 0.07 -0.78 -0.32 1.49 0.00 0.00 0.00 179.25 179.71 3h2u h GLU 276 N -1.13 -0.14 -0.72 0.00 4.81 -1.28 -0.90 114.58 115.23 3h2u h GLU 276 Ca -0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3h2u h GLU 276 Cb 0.65 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 3h2u h GLU 276 CO 0.13 -0.09 0.40 0.93 -0.73 0.00 0.00 179.01 179.66 3h2u h GLU 277 N -0.14 0.98 -0.27 1.92 5.08 -1.28 -2.28 114.58 118.59 3h2u h GLU 277 Ca 0.25 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3h2u h GLU 277 Cb 0.55 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3h2u h GLU 277 CO -0.69 0.71 0.01 0.00 -1.00 0.00 0.00 179.01 178.03 3h2u h ALA 278 N 1.45 0.37 -0.61 3.43 0.00 -0.40 -2.86 119.26 120.65 3h2u h ALA 278 Ca 0.26 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3h2u h ALA 278 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3h2u h ALA 278 CO -0.04 0.10 0.35 0.37 0.00 0.00 0.00 179.25 180.02 3h2u h GLN 279 N 0.27 0.65 -0.25 0.00 -0.00 -0.95 0.07 115.11 114.91 3h2u h GLN 279 Ca 0.08 -0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.74 3h2u h GLN 279 Cb 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 27.48 27.69 3h2u h GLN 279 CO 0.01 0.43 -0.11 0.37 0.00 0.00 0.00 178.83 179.54 3h2u h GLN 280 N 0.67 -0.07 -0.16 1.69 4.15 -1.35 -1.68 115.11 118.37 3h2u h GLN 280 Ca 0.26 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.46 3h2u h GLN 280 Cb 0.10 0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.81 3h2u h GLN 280 CO -0.14 -0.04 -0.77 0.37 -1.93 0.00 0.00 178.83 176.32 3h2u h GLN 281 N -0.07 0.80 0.03 1.69 -0.00 -1.27 -3.36 115.11 112.93 3h2u h GLN 281 Ca 0.13 -0.65 -0.23 0.00 -0.00 0.00 0.00 58.65 57.90 3h2u h GLN 281 Cb 0.26 0.13 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 3h2u h GLN 281 CO -0.29 1.26 -0.99 0.00 0.00 0.00 0.00 178.83 178.80 3h2u h ALA 282 N 0.55 0.36 -2.53 3.38 0.00 -0.84 -3.45 119.26 116.73 3h2u h ALA 282 Ca -0.05 -0.76 -0.54 0.00 0.00 0.00 0.00 54.91 53.56 3h2u h ALA 282 Cb 1.40 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 19.21 3h2u h ALA 282 CO 0.16 0.91 0.97 -3.47 0.00 0.00 0.00 179.25 177.81 3h2u n ASP 283 N -3.65 3.76 0.00 0.00 4.64 -0.64 -2.09 116.55 118.58 3h2u n ASP 283 Ca -0.06 1.06 0.00 0.00 -1.38 0.00 0.00 54.79 54.41 3h2u n ASP 283 Cb 0.87 -1.53 0.00 0.00 -1.04 0.00 0.00 41.12 39.42 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 3.86 3.00 3.57 0.27 0.00 0.41 -4.96 105.19 111.34 3h2u n GLY 284 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 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 1.47 -4.74 0.99 7.94 -0.89 -4.13 117.00 117.65 3h2u n LEU 285 Ca 0.00 1.17 -0.40 0.00 -1.11 0.00 0.00 56.01 55.67 3h2u n LEU 285 Cb 0.00 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 42.66 3h2u n LEU 285 CO 0.00 -1.54 0.56 -0.55 -1.11 0.00 0.00 177.39 174.75 3h2u s SER 286 N -0.52 7.33 -0.23 1.96 0.15 -1.26 0.28 113.70 121.40 3h2u s SER 286 Ca 0.61 1.59 -0.19 0.00 0.70 0.00 0.00 55.95 58.66 3h2u s SER 286 Cb -0.74 -2.52 0.06 0.00 -1.71 0.00 0.00 66.02 61.11 3h2u s SER 286 CO 0.58 -0.04 0.60 -0.22 1.20 0.00 0.00 173.24 175.37 3h2u s LEU 287 N 0.06 -0.41 0.00 3.45 0.20 0.76 -4.94 118.68 117.81 3h2u s LEU 287 Ca 0.43 1.24 0.00 0.00 0.69 0.00 0.00 54.13 56.49 3h2u s LEU 287 Cb -0.22 2.06 0.00 0.00 -0.43 0.00 0.00 46.19 47.61 3h2u s LEU 287 CO 0.26 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.71 3h2u n GLY 288 N 3.18 0.94 0.73 7.98 0.00 -1.26 -1.16 105.19 115.60 3h2u n GLY 288 Ca -0.16 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 1.76 3.30 -0.02 0.00 -1.26 -4.90 105.19 104.08 3h2u n GLY 289 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 0.25 1.13 -0.24 1.61 1.04 -0.31 -5.08 113.70 112.10 3h2u s SER 290 Ca 0.03 -1.60 -0.08 0.00 0.48 0.00 0.00 55.95 54.78 3h2u s SER 290 Cb 0.02 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 3h2u s SER 290 CO 0.01 -1.05 0.08 -1.00 0.98 0.00 0.00 173.24 172.26 3h2u s HIS 291 N -3.58 3.12 0.31 5.02 0.09 -1.26 -0.17 115.29 118.82 3h2u s HIS 291 Ca 0.38 -0.27 -0.28 0.00 -0.00 0.00 0.00 55.06 54.88 3h2u s HIS 291 Cb 0.03 -2.22 -0.10 0.00 -0.00 0.00 0.00 32.58 30.30 3h2u s HIS 291 CO 0.22 -0.24 1.14 -0.51 -0.00 0.00 0.00 174.74 175.35 3h2u s LEU 292 N 1.38 4.46 -0.27 0.89 1.43 0.14 -4.80 118.68 121.92 3h2u s LEU 292 Ca 0.05 2.34 -0.10 0.00 -1.03 0.00 0.00 54.13 55.39 3h2u s LEU 292 Cb -0.15 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 3h2u s LEU 292 CO 0.04 -0.29 0.16 -0.60 0.23 0.00 0.00 176.35 175.89 3h2u s ARG 293 N -1.68 3.88 -0.32 1.70 3.52 -0.68 -0.44 118.95 124.93 3h2u s ARG 293 Ca 0.48 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3h2u s ARG 293 Cb -0.32 -3.57 0.07 0.00 -1.56 0.00 0.00 34.95 29.57 3h2u s ARG 293 CO 0.42 -0.18 0.02 0.08 -0.81 0.00 0.00 175.30 174.83 3h2u s VAL 294 N 1.70 2.69 0.30 7.11 1.01 -1.26 -1.05 120.40 130.90 3h2u s VAL 294 Ca 0.07 -1.77 0.10 0.00 0.00 0.00 0.00 61.98 60.37 3h2u s VAL 294 Cb -0.16 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 3h2u s VAL 294 CO 0.09 -0.30 -0.02 -0.44 0.00 0.00 0.00 175.10 174.43 3h2u s SER 295 N 1.24 4.27 0.37 3.32 0.01 0.70 -4.78 113.70 118.83 3h2u s SER 295 Ca -0.00 -0.83 -0.25 0.00 1.31 0.00 0.00 55.95 56.18 3h2u s SER 295 Cb -0.20 -0.65 -0.09 0.00 0.21 0.00 0.00 66.02 65.29 3h2u s SER 295 CO -0.04 -0.08 1.02 -0.36 0.41 0.00 0.00 173.24 174.18 3h2u s PHE 296 N -2.42 3.43 0.28 2.43 0.40 -1.26 0.15 117.98 120.98 3h2u s PHE 296 Ca 0.33 1.69 -0.04 0.00 -0.60 0.00 0.00 56.93 58.30 3h2u s PHE 296 Cb -0.04 -3.06 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 3h2u s PHE 296 CO 0.19 -0.33 0.54 0.00 0.70 0.00 0.00 175.22 176.31 3h2u n ALA 298 N -0.91 1.24 -1.26 0.00 0.00 -1.26 -4.73 120.51 113.60 3h2u n ALA 298 Ca -0.02 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 3h2u n ALA 298 Cb 0.54 -2.27 0.10 0.00 0.00 0.00 0.00 19.45 17.82 3h2u n ALA 298 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h2u s PRO 299 N -1.05 2.06 0.00 0.00 0.04 -1.26 -4.55 135.00 130.24 3h2u s PRO 299 Ca 0.62 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3h2u s PRO 299 Cb -0.61 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3h2u s PRO 299 CO 0.55 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3h2u n GLY 300 N -1.22 1.36 3.18 0.56 0.00 -1.26 -5.02 105.19 102.79 3h2u n GLY 300 Ca 0.09 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.29 1.61 -0.02 -1.26 -5.01 135.00 126.74 3h2u n PRO 301 Ca 0.00 -0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.22 3h2u n PRO 301 Cb 0.00 -1.39 -0.01 0.00 -0.02 0.00 0.00 33.50 32.09 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 -2.75 2.65 0.24 0.52 0.02 -1.26 -4.86 135.00 129.56 3h2u s PRO 302 Ca 0.47 -1.41 -0.02 0.00 0.02 0.00 0.00 61.00 60.06 3h2u s PRO 302 Cb -0.15 -2.56 0.50 0.00 0.02 0.00 0.00 34.50 32.31 3h2u s PRO 302 CO 0.74 -0.27 1.27 0.41 -0.33 0.00 0.00 177.00 178.82 3h2u n GLY 303 N -1.72 -1.23 0.43 0.52 0.00 -1.26 -1.51 105.19 100.41 3h2u n GLY 303 Ca 0.06 0.83 -0.14 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.59 0.07 1.61 9.65 -1.95 -1.67 114.38 121.50 3h2u h ARG 304 Ca 0.44 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.36 3h2u h ARG 304 Cb 0.81 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 3h2u h ARG 304 CO -0.80 -0.39 -0.04 0.66 2.80 0.00 0.00 179.97 182.20 3h2u h SER 305 N -0.61 -0.08 -0.83 -3.80 4.64 -1.66 -3.17 113.55 108.04 3h2u h SER 305 Ca 0.01 -0.21 0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3h2u h SER 305 Cb 0.65 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 3h2u h SER 305 CO -0.32 0.17 0.38 -0.03 -0.87 0.00 0.00 176.83 176.16 3h2u h MET 306 N -0.34 0.50 -0.01 4.77 -1.53 -1.36 -0.20 114.93 116.77 3h2u h MET 306 Ca -0.01 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.25 3h2u h MET 306 Cb 0.29 -0.11 -0.06 0.00 -0.55 0.00 0.00 31.60 31.17 3h2u h MET 306 CO 0.02 0.33 -0.42 1.25 0.14 0.00 0.00 176.91 178.23 3h2u h LEU 307 N 0.51 -1.28 -0.60 3.39 6.46 -1.27 0.11 115.31 122.63 3h2u h LEU 307 Ca 0.47 0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 58.37 3h2u h LEU 307 Cb 0.73 0.50 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 3h2u h LEU 307 CO -0.41 -0.46 0.32 0.00 -0.62 0.00 0.00 178.44 177.27 3h2u h ALA 308 N -0.02 0.77 -0.34 1.25 0.00 -1.43 0.13 119.26 119.61 3h2u h ALA 308 Ca 0.05 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h2u h ALA 308 Cb 0.65 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3h2u h ALA 308 CO -0.32 0.29 0.06 0.00 0.00 0.00 0.00 179.25 179.28 3h2u h ALA 309 N 1.15 0.36 -0.13 0.00 0.00 -0.62 0.28 119.26 120.30 3h2u h ALA 309 Ca 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3h2u h ALA 309 Cb 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h2u h ALA 309 CO -0.03 -0.34 0.01 -0.07 0.00 0.00 0.00 179.25 178.82 3h2u h LEU 310 N 0.18 0.22 -0.21 0.00 3.38 -0.46 0.53 115.31 118.95 3h2u h LEU 310 Ca 0.16 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h2u h LEU 310 Cb 0.18 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3h2u h LEU 310 CO -0.22 0.45 -0.25 0.40 0.09 0.00 0.00 178.44 178.91 3h2u h ILE 311 N -0.02 0.38 -0.40 1.22 2.04 -0.46 -0.78 117.51 119.50 3h2u h ILE 311 Ca 0.04 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 3h2u h ILE 311 Cb 0.33 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3h2u h ILE 311 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 178.01 3h2u h ALA 312 N 0.71 1.01 0.71 1.87 0.00 -0.28 0.11 119.26 123.38 3h2u h ALA 312 Ca 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3h2u h ALA 312 Cb 0.47 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3h2u h ALA 312 CO -0.37 0.59 -0.34 0.00 0.00 0.00 0.00 179.25 179.13 3h2u h ALA 313 N 1.19 -0.96 -0.20 0.00 0.00 0.62 -1.31 119.26 118.61 3h2u h ALA 313 Ca 0.11 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3h2u h ALA 313 Cb 0.61 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3h2u h ALA 313 CO 0.04 -0.98 0.15 0.37 0.00 0.00 0.00 179.25 178.83 3h2u h GLN 314 N -1.07 0.00 0.14 0.00 4.15 -1.19 -1.17 115.11 115.97 3h2u h GLN 314 Ca -0.10 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.34 3h2u h GLN 314 Cb 0.76 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 3h2u h GLN 314 CO 0.16 0.00 -0.30 0.00 -1.93 0.00 0.00 178.83 176.76 3h2u h ALA 315 N 1.90 -0.53 0.00 3.38 0.00 -0.10 -2.54 119.26 121.35 3h2u h ALA 315 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h2u h ALA 315 Cb 0.39 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3h2u h ALA 315 CO -0.00 -0.85 0.34 0.25 0.00 0.00 0.00 179.25 178.99 3h2u n THR 316 N -5.41 0.09 0.03 0.00 -2.24 -0.44 -4.30 114.28 102.01 3h2u n THR 316 Ca -0.07 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3h2u n THR 316 Cb 0.32 -1.38 -0.09 0.00 -2.10 0.00 0.00 70.33 67.08 3h2u n THR 316 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h2u h ALA 317 N 5.35 -0.07 0.00 6.98 0.00 -1.63 -3.49 119.26 126.39 3h2u h ALA 317 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3h2u h ALA 317 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h2u h ALA 317 CO 0.36 -0.39 0.00 1.47 0.00 0.00 0.00 179.25 180.69