#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n60 n GLU 8 N 0.00 3.38 -2.00 1.45 2.13 -1.26 -5.10 120.64 119.25 1n60 n GLU 8 Ca 0.00 -4.48 -0.37 0.00 0.66 0.00 0.00 57.16 52.97 1n60 n GLU 8 Cb 0.00 -2.50 0.02 0.00 0.27 0.00 0.00 31.44 29.23 1n60 n GLU 8 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1n60 s PRO 9 N -1.50 3.28 1.01 5.31 0.04 -1.26 -5.00 135.00 136.88 1n60 s PRO 9 Ca 0.30 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 1n60 s PRO 9 Cb -0.07 -2.20 0.19 0.00 0.04 0.00 0.00 34.50 32.46 1n60 s PRO 9 CO -0.07 -1.00 1.08 0.95 0.04 0.00 0.00 177.00 177.99 1n60 s THR 10 N -1.46 2.26 0.21 1.26 -4.23 -1.26 -4.73 115.64 107.69 1n60 s THR 10 Ca 0.71 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.21 1n60 s THR 10 Cb -0.34 -2.39 0.15 0.00 1.34 0.00 0.00 72.50 71.26 1n60 s THR 10 CO 0.39 -0.11 1.80 0.28 -0.54 0.00 0.00 174.62 176.45 1n60 h SER 11 N -2.00 0.54 -0.73 3.99 0.02 -1.96 0.06 113.55 113.47 1n60 h SER 11 Ca -0.54 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 1n60 h SER 11 Cb 1.31 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1n60 h SER 11 CO 0.53 0.34 0.26 0.00 -1.14 0.00 0.00 176.83 176.82 1n60 h ALA 12 N 1.36 1.05 -0.66 3.77 0.00 -1.99 -0.36 119.26 122.44 1n60 h ALA 12 Ca 0.31 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n60 h ALA 12 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1n60 h ALA 12 CO -0.20 0.65 0.19 0.93 0.00 0.00 0.00 179.25 180.82 1n60 h GLU 13 N 1.09 1.04 -0.50 0.00 5.08 -1.65 -0.48 114.58 119.16 1n60 h GLU 13 Ca 0.24 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1n60 h GLU 13 Cb 0.27 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1n60 h GLU 13 CO -0.01 0.92 0.12 0.00 -1.00 0.00 0.00 179.01 179.03 1n60 h ARG 14 N 0.96 0.80 -0.61 2.33 3.08 -0.73 -1.48 114.38 118.72 1n60 h ARG 14 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1n60 h ARG 14 Cb 0.33 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1n60 h ARG 14 CO -0.00 0.77 0.33 0.00 -1.07 0.00 0.00 179.97 179.99 1n60 h ALA 15 N 0.99 0.79 -0.94 0.04 0.00 -0.83 -2.75 119.26 116.55 1n60 h ALA 15 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1n60 h ALA 15 Cb 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1n60 h ALA 15 CO 0.00 0.31 0.62 1.49 0.00 0.00 0.00 179.25 181.68 1n60 h GLU 16 N 0.84 1.24 0.00 0.00 4.81 -0.84 -1.76 114.58 118.87 1n60 h GLU 16 Ca 0.22 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1n60 h GLU 16 Cb 0.06 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 1n60 h GLU 16 CO -0.03 0.82 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.75 1n60 h LYS 17 N 1.28 0.00 -0.52 1.92 3.64 -0.99 -2.35 116.57 119.54 1n60 h LYS 17 Ca 0.35 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1n60 h LYS 17 Cb -0.15 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 1n60 h LYS 17 CO -0.07 0.10 0.25 -0.07 -2.27 0.00 0.00 179.45 177.39 1n60 h LEU 18 N 0.00 0.65 -1.36 5.20 3.38 -1.09 -3.43 115.31 118.67 1n60 h LEU 18 Ca -0.00 -0.06 -0.39 0.00 0.09 0.00 0.00 57.88 57.52 1n60 h LEU 18 Cb 0.27 -0.17 0.10 0.00 0.09 0.00 0.00 40.66 40.95 1n60 h LEU 18 CO 0.01 0.55 -0.76 0.00 0.09 0.00 0.00 178.44 178.34 1n60 n GLN 19 N -4.38 -6.39 0.00 1.13 6.02 -0.89 -1.18 117.38 111.70 1n60 n GLN 19 Ca 0.04 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1n60 n GLN 19 Cb 0.12 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 25.74 1n60 n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n60 n GLY 20 N -1.57 1.58 3.63 1.08 0.00 -1.26 -4.63 105.19 104.01 1n60 n GLY 20 Ca -0.16 -1.76 -0.50 0.00 0.00 0.00 0.00 46.02 43.61 1n60 n GLY 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1n60 n MET 21 N 0.00 1.54 0.00 1.61 2.81 -1.16 -1.52 117.12 120.39 1n60 n MET 21 Ca 0.00 0.55 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1n60 n MET 21 Cb 0.00 -2.25 0.00 0.00 -0.71 0.00 0.00 33.22 30.26 1n60 n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n60 n GLY 22 N 2.99 2.12 3.80 3.03 0.00 0.12 -5.02 105.19 112.22 1n60 n GLY 22 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1n60 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 n LYS 24 N -0.04 3.66 -1.96 0.00 5.02 -1.26 -4.30 118.16 119.29 1n60 n LYS 24 Ca 0.05 -2.36 -0.42 0.00 -2.02 0.00 0.00 58.31 53.56 1n60 n LYS 24 Cb 0.52 -2.64 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 1n60 n LYS 24 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1n60 s ARG 25 N 1.10 4.23 0.58 1.97 3.52 -1.26 -4.93 118.95 124.16 1n60 s ARG 25 Ca 0.66 2.34 -0.17 0.00 -0.13 0.00 0.00 55.73 58.43 1n60 s ARG 25 Cb 0.21 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1n60 s ARG 25 CO -0.07 -0.54 1.07 0.15 -0.81 0.00 0.00 175.30 175.11 1n60 s LYS 26 N 0.50 3.31 0.10 5.12 -0.14 -1.26 -4.91 119.74 122.45 1n60 s LYS 26 Ca 0.66 1.33 -0.27 0.00 -1.36 0.00 0.00 55.97 56.32 1n60 s LYS 26 Cb -0.43 -2.02 -0.06 0.00 -1.68 0.00 0.00 37.83 33.63 1n60 s LYS 26 CO 0.36 -0.83 0.85 1.03 -0.76 0.00 0.00 175.35 176.00 1n60 s ARG 27 N -3.81 4.61 0.33 1.68 0.52 -1.26 -4.94 118.95 116.07 1n60 s ARG 27 Ca 0.66 1.25 0.12 0.00 -0.52 0.00 0.00 55.73 57.24 1n60 s ARG 27 Cb -0.18 -3.35 0.56 0.00 0.52 0.00 0.00 34.95 32.50 1n60 s ARG 27 CO 0.33 0.31 1.73 -0.39 0.02 0.00 0.00 175.30 177.30 1n60 h VAL 28 N 3.91 1.33 0.00 3.52 -1.51 -1.92 -3.00 116.25 118.57 1n60 h VAL 28 Ca -0.44 -1.66 -0.03 0.00 -1.23 0.00 0.00 66.70 63.34 1n60 h VAL 28 Cb 1.21 1.90 -0.00 0.00 -2.13 0.00 0.00 31.29 32.26 1n60 h VAL 28 CO 0.70 0.47 -0.13 -0.33 -1.23 0.00 0.00 177.57 177.05 1n60 h GLU 29 N 0.00 0.00 0.00 5.19 3.07 -1.92 -3.11 114.58 117.81 1n60 h GLU 29 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 1n60 h GLU 29 Cb 0.86 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1n60 h GLU 29 CO 0.06 0.13 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.07 1n60 h ASP 30 N 0.00 0.00 0.27 1.42 3.32 -1.94 -2.26 116.42 117.24 1n60 h ASP 30 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n60 h ASP 30 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1n60 h ASP 30 CO 0.02 0.30 -0.22 0.40 -1.72 0.00 0.00 179.24 178.02 1n60 h ILE 31 N 0.00 0.54 -0.29 0.35 1.08 -1.74 -0.35 117.51 117.10 1n60 h ILE 31 Ca -0.00 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.29 1n60 h ILE 31 Cb 0.64 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1n60 h ILE 31 CO 0.04 0.00 -0.52 0.08 -0.69 0.00 0.00 178.15 177.05 1n60 h ARG 32 N -0.50 0.84 -0.23 2.37 0.11 -1.73 -3.26 114.38 111.98 1n60 h ARG 32 Ca -0.02 -0.52 -0.15 0.00 0.10 0.00 0.00 59.98 59.39 1n60 h ARG 32 Cb 0.44 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 1n60 h ARG 32 CO -0.01 1.15 -0.48 0.74 0.10 0.00 0.00 179.97 181.47 1n60 h PHE 33 N 0.65 0.75 0.00 4.08 0.04 -1.21 0.10 116.94 121.35 1n60 h PHE 33 Ca 0.02 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1n60 h PHE 33 Cb 1.12 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1n60 h PHE 33 CO 0.07 0.97 0.00 0.25 -0.60 0.00 0.00 178.31 179.00 1n60 n THR 34 N -4.00 0.95 0.02 -1.55 -2.24 -0.16 -2.62 114.28 104.68 1n60 n THR 34 Ca -0.03 0.27 0.05 0.00 -2.27 0.00 0.00 64.05 62.07 1n60 n THR 34 Cb 0.57 -1.14 0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1n60 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n60 n GLN 35 N -1.93 2.08 -1.91 -0.78 6.02 -0.72 -4.98 117.38 115.17 1n60 n GLN 35 Ca 0.02 -1.68 -0.10 0.00 -0.01 0.00 0.00 57.00 55.23 1n60 n GLN 35 Cb 0.19 -1.21 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 1n60 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1n60 n GLY 36 N 0.41 0.34 0.73 1.08 0.00 -0.87 -4.91 105.19 101.96 1n60 n GLY 36 Ca 0.08 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.69 1n60 n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n60 n LYS 37 N -2.21 2.77 -0.63 1.61 4.76 0.27 -4.95 118.16 119.79 1n60 n LYS 37 Ca -0.11 -2.58 -0.29 0.00 -2.87 0.00 0.00 58.31 52.45 1n60 n LYS 37 Cb 0.51 -1.65 0.22 0.00 -1.84 0.00 0.00 35.03 32.27 1n60 n LYS 37 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1n60 s GLY 38 N -1.76 1.60 -0.40 0.72 0.00 -1.21 -4.80 107.32 101.46 1n60 s GLY 38 Ca 0.35 0.12 0.01 0.00 0.00 0.00 0.00 44.72 45.21 1n60 s GLY 38 CO 0.10 0.73 0.20 0.21 0.00 0.00 0.00 173.10 174.33 1n60 s ASN 39 N -2.62 3.70 0.33 1.64 2.47 -1.26 -5.05 114.94 114.16 1n60 s ASN 39 Ca 0.68 -2.37 0.04 0.00 0.42 0.00 0.00 52.86 51.63 1n60 s ASN 39 Cb -0.24 -0.96 -0.02 0.00 -1.45 0.00 0.00 41.25 38.58 1n60 s ASN 39 CO 0.62 -0.30 0.49 -0.31 -3.72 0.00 0.00 177.10 173.87 1n60 s TYR 40 N 0.69 3.27 0.20 0.43 1.51 -1.26 -0.92 117.35 121.27 1n60 s TYR 40 Ca 0.16 -0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 56.08 1n60 s TYR 40 Cb -0.23 -1.93 0.24 0.00 -0.11 0.00 0.00 41.96 39.93 1n60 s TYR 40 CO -0.05 0.06 1.69 0.28 -1.11 0.00 0.00 175.55 176.42 1n60 h VAL 41 N 0.86 0.60 0.00 0.71 2.07 -1.94 0.12 116.25 118.67 1n60 h VAL 41 Ca -0.48 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1n60 h VAL 41 Cb 1.24 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1n60 h VAL 41 CO 0.57 0.03 0.00 -0.67 0.02 0.00 0.00 177.57 177.52 1n60 n ASP 42 N -5.21 0.25 0.10 0.57 2.03 -1.26 -1.30 116.55 111.75 1n60 n ASP 42 Ca 0.07 0.56 0.13 0.00 0.52 0.00 0.00 54.79 56.07 1n60 n ASP 42 Cb 0.30 -0.62 0.44 0.00 -0.72 0.00 0.00 41.12 40.52 1n60 n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1n60 n ASP 43 N -1.78 0.71 -4.73 1.67 8.00 0.43 -4.83 116.55 116.03 1n60 n ASP 43 Ca 0.03 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.71 1n60 n ASP 43 Cb 0.19 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 1n60 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1n60 s VAL 44 N -3.15 4.02 -0.07 2.53 1.01 -0.42 -4.99 120.40 119.34 1n60 s VAL 44 Ca 0.09 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1n60 s VAL 44 Cb 0.12 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1n60 s VAL 44 CO 0.54 0.21 -0.01 -0.54 0.00 0.00 0.00 175.10 175.30 1n60 s LYS 45 N 0.26 0.65 0.12 2.72 1.02 -1.26 -5.08 119.74 118.17 1n60 s LYS 45 Ca 0.53 0.06 0.10 0.00 0.02 0.00 0.00 55.97 56.69 1n60 s LYS 45 Cb -0.29 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1n60 s LYS 45 CO 0.32 -0.26 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.72 1n60 s LEU 46 N 1.75 2.31 0.14 3.17 1.43 -1.26 -5.08 118.68 121.14 1n60 s LEU 46 Ca 0.02 -0.73 -0.33 0.00 -1.03 0.00 0.00 54.13 52.05 1n60 s LEU 46 Cb -0.13 -1.18 -0.13 0.00 0.03 0.00 0.00 46.19 44.79 1n60 s LEU 46 CO -0.04 0.17 1.65 -2.65 0.23 0.00 0.00 176.35 175.71 1n60 n PRO 47 N 0.99 2.32 -0.99 1.29 -0.02 -1.26 -1.94 135.00 135.39 1n60 n PRO 47 Ca -0.18 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1n60 n PRO 47 Cb 0.53 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1n60 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n60 n GLY 48 N 3.67 0.64 3.74 -1.23 0.00 -1.26 -4.56 105.19 106.19 1n60 n GLY 48 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1n60 n GLY 48 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n60 s MET 49 N -0.06 4.31 0.48 1.61 0.00 -0.82 -4.31 119.30 120.51 1n60 s MET 49 Ca 0.00 2.21 0.08 0.00 0.00 0.00 0.00 55.69 57.98 1n60 s MET 49 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 34.83 31.71 1n60 s MET 49 CO 0.00 -0.37 0.55 -0.51 0.00 0.00 0.00 175.02 174.69 1n60 s LEU 50 N -0.16 3.30 -0.05 4.11 1.43 0.32 -4.89 118.68 122.74 1n60 s LEU 50 Ca 0.59 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1n60 s LEU 50 Cb -0.40 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1n60 s LEU 50 CO 0.40 -0.92 -0.16 0.12 0.23 0.00 0.00 176.35 176.02 1n60 s PHE 51 N -2.53 1.68 0.05 0.29 2.19 -0.05 -0.62 117.98 118.99 1n60 s PHE 51 Ca 0.52 -0.53 0.08 0.00 0.33 0.00 0.00 56.93 57.32 1n60 s PHE 51 Cb -0.06 -1.15 -0.03 0.00 -1.31 0.00 0.00 43.02 40.47 1n60 s PHE 51 CO 0.31 -0.21 -0.20 0.20 1.83 0.00 0.00 175.22 177.15 1n60 s GLY 52 N 0.22 1.54 0.26 13.12 0.00 0.68 -0.55 107.32 122.59 1n60 s GLY 52 Ca -0.08 -1.22 -0.17 0.00 0.00 0.00 0.00 44.72 43.25 1n60 s GLY 52 CO 0.03 -1.12 0.60 -0.35 0.00 0.00 0.00 173.10 172.26 1n60 s ASP 53 N -1.44 -0.19 -0.10 1.64 2.15 -0.31 -4.37 116.67 114.04 1n60 s ASP 53 Ca 0.14 -0.73 -0.05 0.00 0.43 0.00 0.00 52.55 52.34 1n60 s ASP 53 Cb -0.10 0.66 -0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1n60 s ASP 53 CO 0.05 -1.24 0.11 -0.36 -0.17 0.00 0.00 175.17 173.56 1n60 s PHE 54 N -3.96 3.48 -0.01 -5.34 0.08 -1.26 -0.39 117.98 110.58 1n60 s PHE 54 Ca 0.16 0.43 -0.30 0.00 0.12 0.00 0.00 56.93 57.34 1n60 s PHE 54 Cb -0.03 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1n60 s PHE 54 CO 0.07 0.66 1.14 0.08 -0.10 0.00 0.00 175.22 177.07 1n60 s VAL 55 N -1.01 4.36 0.19 -0.44 1.01 0.21 -4.96 120.40 119.75 1n60 s VAL 55 Ca 0.15 1.68 0.11 0.00 0.00 0.00 0.00 61.98 63.93 1n60 s VAL 55 Cb -0.12 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1n60 s VAL 55 CO 0.04 0.07 -0.24 -0.13 0.00 0.00 0.00 175.10 174.84 1n60 s ARG 56 N 1.60 1.50 0.13 2.72 0.52 -1.26 -0.32 118.95 123.85 1n60 s ARG 56 Ca 0.55 -1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 1n60 s ARG 56 Cb -0.25 -1.81 -0.07 0.00 0.52 0.00 0.00 34.95 33.34 1n60 s ARG 56 CO 0.25 0.39 1.18 0.45 0.02 0.00 0.00 175.30 177.59 1n60 s SER 57 N -2.67 7.12 0.08 0.23 0.15 0.12 -4.83 113.70 113.89 1n60 s SER 57 Ca 0.20 2.12 0.28 0.00 0.70 0.00 0.00 55.95 59.25 1n60 s SER 57 Cb -0.08 -2.59 1.01 0.00 -1.71 0.00 0.00 66.02 62.65 1n60 s SER 57 CO 0.10 -0.38 1.82 -1.54 1.20 0.00 0.00 173.24 174.44 1n60 n SER 58 N 3.05 0.34 -4.62 5.45 3.41 -1.26 -0.15 113.62 119.84 1n60 n SER 58 Ca 0.06 0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 58.80 1n60 n SER 58 Cb 0.46 -0.53 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 1n60 n SER 58 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1n60 s HIS 59 N -3.04 3.01 0.20 7.33 3.76 -1.26 -4.87 115.29 120.42 1n60 s HIS 59 Ca 0.12 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.13 1n60 s HIS 59 Cb 0.16 -1.72 0.13 0.00 1.11 0.00 0.00 32.58 32.27 1n60 s HIS 59 CO 0.57 0.38 1.48 0.00 -0.85 0.00 0.00 174.74 176.32 1n60 h ALA 60 N 5.12 0.70 -1.41 -1.40 0.00 -1.81 -3.23 119.26 117.22 1n60 h ALA 60 Ca -0.49 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 53.83 1n60 h ALA 60 Cb 1.18 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 1n60 h ALA 60 CO 0.53 0.79 -0.30 -1.58 0.00 0.00 0.00 179.25 178.69 1n60 s HIS 61 N -3.57 -1.36 -0.18 0.00 2.46 -1.26 -2.01 115.29 109.38 1n60 s HIS 61 Ca -0.04 1.59 -0.28 0.00 0.47 0.00 0.00 55.06 56.80 1n60 s HIS 61 Cb 0.11 0.47 0.10 0.00 -0.13 0.00 0.00 32.58 33.13 1n60 s HIS 61 CO 0.82 -0.79 0.88 0.00 -2.47 0.00 0.00 174.74 173.17 1n60 s ALA 62 N 2.78 -1.88 0.37 1.58 0.00 -0.84 -0.53 121.76 123.25 1n60 s ALA 62 Ca 0.14 1.66 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 1n60 s ALA 62 Cb -0.15 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1n60 s ALA 62 CO -0.19 -0.31 1.12 0.50 0.00 0.00 0.00 175.76 176.88 1n60 s ARG 63 N -0.55 4.21 -0.39 0.00 3.52 -0.04 -0.48 118.95 125.21 1n60 s ARG 63 Ca -0.03 1.73 -0.18 0.00 -0.13 0.00 0.00 55.73 57.12 1n60 s ARG 63 Cb -0.02 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 1n60 s ARG 63 CO 0.02 -0.15 0.50 0.42 -0.81 0.00 0.00 175.30 175.27 1n60 s ILE 64 N -1.44 5.02 -0.01 4.11 1.01 0.51 -0.65 121.20 129.75 1n60 s ILE 64 Ca 0.55 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.03 1n60 s ILE 64 Cb -0.28 -4.03 -0.33 0.00 0.01 0.00 0.00 42.46 37.82 1n60 s ILE 64 CO 0.36 -0.36 0.89 0.11 0.00 0.00 0.00 174.94 175.93 1n60 h LYS 65 N 8.65 0.44 -2.15 2.79 1.79 -1.10 -3.45 116.57 123.55 1n60 h LYS 65 Ca -0.27 -0.76 0.15 0.00 -2.18 0.00 0.00 60.65 57.59 1n60 h LYS 65 Cb 1.12 0.28 -0.15 0.00 -1.58 0.00 0.00 32.23 31.90 1n60 h LYS 65 CO 0.80 1.36 0.55 -1.54 -1.08 0.00 0.00 179.45 179.54 1n60 s SER 66 N -7.36 -0.30 -0.09 0.86 1.04 -1.22 -5.01 113.70 101.62 1n60 s SER 66 Ca -0.12 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.28 1n60 s SER 66 Cb 0.03 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1n60 s SER 66 CO 0.89 -0.59 -0.16 -0.63 0.98 0.00 0.00 173.24 173.73 1n60 s ILE 67 N -3.02 1.45 -0.38 -1.02 1.01 -1.26 -1.36 121.20 116.62 1n60 s ILE 67 Ca 0.07 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 1n60 s ILE 67 Cb -0.01 -1.31 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1n60 s ILE 67 CO -0.07 0.43 0.21 -0.62 0.00 0.00 0.00 174.94 174.89 1n60 s ASP 68 N 0.70 5.71 0.00 3.58 2.15 0.60 -4.92 116.67 124.50 1n60 s ASP 68 Ca -0.13 -1.10 0.19 0.00 0.43 0.00 0.00 52.55 51.94 1n60 s ASP 68 Cb -0.16 -2.01 0.53 0.00 -0.30 0.00 0.00 42.92 40.97 1n60 s ASP 68 CO 0.03 -0.42 1.44 0.35 -0.17 0.00 0.00 175.17 176.40 1n60 n THR 69 N 4.98 0.98 0.01 1.71 -2.24 -1.26 -1.32 114.28 117.14 1n60 n THR 69 Ca -0.12 -0.99 -0.11 0.00 -2.27 0.00 0.00 64.05 60.56 1n60 n THR 69 Cb 0.45 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 1n60 n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1n60 h SER 70 N 3.55 0.07 -0.15 3.42 4.64 -1.91 0.22 113.55 123.40 1n60 h SER 70 Ca 0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1n60 h SER 70 Cb 0.90 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1n60 h SER 70 CO 0.00 0.08 -0.24 0.11 -0.87 0.00 0.00 176.83 175.92 1n60 h LYS 71 N 0.06 0.59 -0.21 4.77 1.57 -1.84 -2.08 116.57 119.44 1n60 h LYS 71 Ca 0.02 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1n60 h LYS 71 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1n60 h LYS 71 CO -0.00 0.78 -0.14 0.00 -0.57 0.00 0.00 179.45 179.52 1n60 h ALA 72 N 1.22 0.30 0.00 3.86 0.00 -1.68 -3.01 119.26 119.95 1n60 h ALA 72 Ca 0.08 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1n60 h ALA 72 Cb 0.69 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1n60 h ALA 72 CO 0.05 0.18 -0.12 0.87 0.00 0.00 0.00 179.25 180.22 1n60 h LYS 73 N 0.15 0.00 0.00 0.00 1.57 -0.78 -2.50 116.57 115.01 1n60 h LYS 73 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1n60 h LYS 73 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1n60 h LYS 73 CO 0.04 0.12 -0.08 0.00 -0.57 0.00 0.00 179.45 178.96 1n60 n ALA 74 N -2.48 2.48 -2.28 3.86 0.00 -0.80 -4.80 120.51 116.49 1n60 n ALA 74 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1n60 n ALA 74 Cb 0.20 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1n60 n ALA 74 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1n60 s LEU 75 N -3.34 4.41 0.31 0.00 2.96 -0.94 -4.94 118.68 117.13 1n60 s LEU 75 Ca 0.13 2.07 -0.29 0.00 -0.22 0.00 0.00 54.13 55.82 1n60 s LEU 75 Cb 0.17 -3.59 -0.12 0.00 0.50 0.00 0.00 46.19 43.15 1n60 s LEU 75 CO 0.57 -0.40 1.37 -2.65 -1.32 0.00 0.00 176.35 173.92 1n60 n PRO 76 N 3.33 2.21 -0.47 0.98 -0.02 -1.26 -2.17 135.00 137.60 1n60 n PRO 76 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1n60 n PRO 76 Cb 0.46 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1n60 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n60 n GLY 77 N 1.28 0.76 3.68 -1.23 0.00 -1.26 -4.97 105.19 103.46 1n60 n GLY 77 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1n60 n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n60 s VAL 78 N -2.95 5.30 -0.07 1.61 1.01 -0.92 -0.36 120.40 124.02 1n60 s VAL 78 Ca 0.00 0.42 0.17 0.00 0.00 0.00 0.00 61.98 62.56 1n60 s VAL 78 Cb 0.00 -3.59 -0.25 0.00 0.00 0.00 0.00 36.38 32.54 1n60 s VAL 78 CO 0.00 0.33 0.28 0.49 0.00 0.00 0.00 175.10 176.20 1n60 n PHE 79 N 4.14 0.00 -3.54 5.22 3.01 0.69 -4.93 117.46 122.06 1n60 n PHE 79 Ca -0.12 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.19 1n60 n PHE 79 Cb 0.52 -0.53 -0.05 0.00 -0.01 0.00 0.00 39.48 39.40 1n60 n PHE 79 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1n60 s ALA 80 N -2.95 -1.83 -0.20 4.37 0.00 -1.07 -5.00 121.76 115.08 1n60 s ALA 80 Ca -0.07 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.23 1n60 s ALA 80 Cb 0.09 -0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1n60 s ALA 80 CO 0.71 -0.38 0.06 0.08 0.00 0.00 0.00 175.76 176.22 1n60 s VAL 81 N -1.38 0.34 -0.00 0.00 1.01 -1.26 -0.86 120.40 118.26 1n60 s VAL 81 Ca -0.06 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1n60 s VAL 81 Cb -0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1n60 s VAL 81 CO 0.05 -0.28 0.46 -0.76 0.00 0.00 0.00 175.10 174.57 1n60 s LEU 82 N 1.94 4.45 0.45 3.92 1.43 0.17 -4.89 118.68 126.14 1n60 s LEU 82 Ca 0.01 1.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1n60 s LEU 82 Cb -0.17 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1n60 s LEU 82 CO -0.10 0.26 0.07 0.42 0.23 0.00 0.00 176.35 177.22 1n60 s THR 83 N -0.78 0.90 0.48 5.49 -4.23 -1.26 -0.78 115.64 115.45 1n60 s THR 83 Ca 0.25 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.99 1n60 s THR 83 Cb -0.17 -2.30 0.41 0.00 1.34 0.00 0.00 72.50 71.77 1n60 s THR 83 CO 0.14 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.13 1n60 h ALA 84 N 1.61 2.43 -0.71 3.99 0.00 -1.77 -1.06 119.26 123.75 1n60 h ALA 84 Ca -0.39 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1n60 h ALA 84 Cb 1.29 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1n60 h ALA 84 CO 0.65 -0.66 0.47 0.00 0.00 0.00 0.00 179.25 179.71 1n60 h ALA 85 N 1.63 1.66 0.00 0.00 0.00 -1.94 0.10 119.26 120.72 1n60 h ALA 85 Ca 0.39 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1n60 h ALA 85 Cb 1.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1n60 h ALA 85 CO -0.08 0.25 -0.52 -0.44 0.00 0.00 0.00 179.25 178.45 1n60 h ASP 86 N 0.79 0.00 0.46 0.00 3.32 -1.59 -3.34 116.42 116.06 1n60 h ASP 86 Ca 0.29 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.09 1n60 h ASP 86 Cb 0.17 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.67 1n60 h ASP 86 CO -0.09 0.52 -1.73 0.18 -1.72 0.00 0.00 179.24 176.40 1n60 n LEU 87 N -3.47 0.70 -0.34 1.55 4.77 -0.31 -4.42 117.00 115.47 1n60 n LEU 87 Ca 0.00 0.32 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1n60 n LEU 87 Cb 0.64 0.19 0.21 0.00 -2.33 0.00 0.00 43.42 42.12 1n60 n LEU 87 CO 0.40 0.31 1.21 0.50 -1.33 0.00 0.00 177.39 178.48 1n60 h LYS 88 N 0.00 0.94 0.00 3.23 3.64 -0.99 0.49 116.57 123.87 1n60 h LYS 88 Ca -0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1n60 h LYS 88 Cb 1.88 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1n60 h LYS 88 CO 0.06 0.62 0.00 -1.00 -2.27 0.00 0.00 179.45 176.86 1n60 h PRO 89 N 0.96 0.00 -0.50 1.90 0.14 -1.78 0.11 132.00 132.83 1n60 h PRO 89 Ca 0.46 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.60 1n60 h PRO 89 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.55 1n60 h PRO 89 CO -0.25 0.00 0.00 1.28 0.14 0.00 0.00 178.00 179.17 1n60 n LEU 90 N -2.59 3.17 -4.43 1.56 4.77 0.08 -4.94 117.00 114.62 1n60 n LEU 90 Ca -0.00 -1.50 -0.38 0.00 -0.03 0.00 0.00 56.01 54.10 1n60 n LEU 90 Cb 0.15 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1n60 n LEU 90 CO 0.18 0.75 -0.28 0.59 -1.33 0.00 0.00 177.39 177.30 1n60 n ASN 91 N 1.25 -0.80 -0.17 -1.43 4.13 0.03 -4.89 115.26 113.38 1n60 n ASN 91 Ca 0.20 -1.24 0.05 0.00 1.68 0.00 0.00 54.58 55.26 1n60 n ASN 91 Cb 0.52 -1.70 0.09 0.00 -1.54 0.00 0.00 39.78 37.15 1n60 n ASN 91 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1n60 n LEU 92 N -4.29 2.38 0.25 3.41 4.77 -0.68 -4.54 117.00 118.30 1n60 n LEU 92 Ca -0.07 -2.45 0.13 0.00 -0.03 0.00 0.00 56.01 53.59 1n60 n LEU 92 Cb 0.55 -0.22 0.59 0.00 -2.33 0.00 0.00 43.42 42.02 1n60 n LEU 92 CO 0.91 0.61 0.90 1.12 -1.33 0.00 0.00 177.39 179.60 1n60 h HIS 93 N 0.37 0.00 -3.09 -1.77 2.07 -1.86 -3.42 115.15 107.45 1n60 h HIS 93 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 1n60 h HIS 93 Cb 0.77 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 30.58 1n60 h HIS 93 CO 0.07 0.12 -0.79 0.71 -3.07 0.00 0.00 177.93 174.96 1n60 s TYR 94 N -3.72 2.09 0.06 6.12 2.02 -1.26 -0.47 117.35 122.19 1n60 s TYR 94 Ca 0.00 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 1n60 s TYR 94 Cb 0.10 -1.01 -0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1n60 s TYR 94 CO 0.59 0.46 -0.16 0.00 -1.57 0.00 0.00 175.55 174.87 1n60 s MET 95 N -2.87 0.98 0.61 -0.62 0.23 -0.21 -4.83 119.30 112.59 1n60 s MET 95 Ca 0.20 -0.94 -0.17 0.00 -1.03 0.00 0.00 55.69 53.76 1n60 s MET 95 Cb -0.06 -1.06 -0.02 0.00 -1.53 0.00 0.00 34.83 32.15 1n60 s MET 95 CO 0.09 0.25 1.11 -1.25 -2.03 0.00 0.00 175.02 173.20 1n60 s PRO 96 N -1.53 3.03 0.34 3.16 0.04 -1.26 -0.75 135.00 138.03 1n60 s PRO 96 Ca 0.02 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.62 1n60 s PRO 96 Cb -0.09 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 1n60 s PRO 96 CO 0.02 -1.08 -0.01 0.95 0.04 0.00 0.00 177.00 176.92 1n60 s THR 97 N -2.13 2.57 0.39 1.26 -4.23 -0.33 -4.79 115.64 108.38 1n60 s THR 97 Ca 0.69 -2.02 0.39 0.00 -1.18 0.00 0.00 61.69 59.57 1n60 s THR 97 Cb -0.22 -2.76 0.42 0.00 1.34 0.00 0.00 72.50 71.28 1n60 s THR 97 CO 0.36 -0.21 2.19 -0.07 -0.54 0.00 0.00 174.62 176.35 1n60 h LEU 98 N 1.86 0.00 -0.50 4.79 3.38 -1.85 -1.80 115.31 121.19 1n60 h LEU 98 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1n60 h LEU 98 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1n60 h LEU 98 CO 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 179.15 1n60 n ALA 99 N -2.08 2.70 -0.79 1.53 0.00 -1.24 -4.64 120.51 115.99 1n60 n ALA 99 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1n60 n ALA 99 Cb 0.18 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1n60 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n60 n GLY 100 N 1.17 0.64 0.00 0.00 0.00 -0.68 -4.83 105.19 101.50 1n60 n GLY 100 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1n60 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n60 n ASP 101 N 0.00 0.00 -4.37 1.61 -0.08 -1.26 -4.54 116.55 107.92 1n60 n ASP 101 Ca 0.00 -0.86 -0.20 0.00 -1.51 0.00 0.00 54.79 52.22 1n60 n ASP 101 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1n60 n ASP 101 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 1n60 s VAL 102 N 1.01 1.88 -0.00 5.18 -7.23 -1.26 -1.18 120.40 118.80 1n60 s VAL 102 Ca 0.00 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 57.99 1n60 s VAL 102 Cb 0.00 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 1n60 s VAL 102 CO 0.00 -0.52 -0.08 -1.58 -0.31 0.00 0.00 175.10 172.62 1n60 s GLN 103 N -3.49 0.60 0.18 4.82 0.74 0.07 -4.53 119.66 118.05 1n60 s GLN 103 Ca 0.23 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 55.04 1n60 s GLN 103 Cb -0.02 -0.58 -0.09 0.00 1.10 0.00 0.00 33.01 33.42 1n60 s GLN 103 CO 0.08 0.16 1.44 0.00 -0.55 0.00 0.00 175.29 176.42 1n60 s ALA 104 N -0.22 3.64 -0.15 1.58 0.00 -1.26 -1.04 121.76 124.31 1n60 s ALA 104 Ca 0.02 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1n60 s ALA 104 Cb -0.03 -3.56 -0.18 0.00 0.00 0.00 0.00 23.12 19.35 1n60 s ALA 104 CO -0.00 -0.69 0.40 0.28 0.00 0.00 0.00 175.76 175.75 1n60 h VAL 105 N 3.90 1.09 -3.98 0.00 2.07 -1.03 -3.46 116.25 114.85 1n60 h VAL 105 Ca -0.44 -1.96 -0.51 0.00 0.82 0.00 0.00 66.70 64.61 1n60 h VAL 105 Cb 1.21 2.20 -0.31 0.00 -1.52 0.00 0.00 31.29 32.88 1n60 h VAL 105 CO 0.84 0.37 -0.82 -0.76 0.02 0.00 0.00 177.57 177.22 1n60 s LEU 106 N -8.17 1.91 0.17 2.57 1.43 -1.23 -4.68 118.68 110.67 1n60 s LEU 106 Ca -0.19 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 1n60 s LEU 106 Cb 0.01 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.33 1n60 s LEU 106 CO 0.51 0.14 1.50 0.00 0.23 0.00 0.00 176.35 178.73 1n60 s ALA 107 N -0.03 3.71 0.00 4.21 0.00 -0.45 -4.51 121.76 124.69 1n60 s ALA 107 Ca -0.01 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1n60 s ALA 107 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1n60 s ALA 107 CO 0.01 -0.73 0.00 -3.47 0.00 0.00 0.00 175.76 171.57 1n60 n ASP 108 N 3.66 0.00 0.04 0.00 2.03 -1.26 -4.38 116.55 116.63 1n60 n ASP 108 Ca 0.12 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.38 1n60 n ASP 108 Cb 0.40 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 1n60 n ASP 108 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1n60 h GLU 109 N 0.00 0.00 -3.51 -0.67 5.08 -1.92 -3.43 114.58 110.12 1n60 h GLU 109 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1n60 h GLU 109 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1n60 h GLU 109 CO 0.00 0.66 -0.12 -1.59 -1.00 0.00 0.00 179.01 176.96 1n60 s LYS 110 N -2.74 1.16 0.02 2.33 -2.85 -1.26 -0.36 119.74 116.04 1n60 s LYS 110 Ca -0.01 -0.88 0.01 0.00 -1.00 0.00 0.00 55.97 54.09 1n60 s LYS 110 Cb 0.09 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 1n60 s LYS 110 CO 0.81 -0.45 0.06 0.14 0.10 0.00 0.00 175.35 176.01 1n60 s VAL 111 N -3.87 4.55 0.00 1.79 -7.23 0.37 -4.76 120.40 111.25 1n60 s VAL 111 Ca 0.08 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1n60 s VAL 111 Cb 0.02 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1n60 s VAL 111 CO -0.07 0.28 0.09 0.18 -0.31 0.00 0.00 175.10 175.28 1n60 n LEU 112 N 1.00 0.19 -3.66 1.32 4.77 -1.24 -1.99 117.00 117.39 1n60 n LEU 112 Ca -0.12 -0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 55.23 1n60 n LEU 112 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1n60 n LEU 112 CO 0.39 0.05 0.20 0.72 -1.33 0.00 0.00 177.39 177.41 1n60 s PHE 113 N -0.59 -0.38 0.25 -1.77 -0.71 -0.85 -3.58 117.98 110.35 1n60 s PHE 113 Ca 0.00 0.60 -0.30 0.00 -1.04 0.00 0.00 56.93 56.19 1n60 s PHE 113 Cb 0.00 0.23 -0.10 0.00 -1.21 0.00 0.00 43.02 41.94 1n60 s PHE 113 CO 0.00 -0.49 1.36 -1.14 -1.34 0.00 0.00 175.22 173.61 1n60 s GLN 114 N -1.36 4.34 0.00 1.99 0.74 -1.22 -1.87 119.66 122.28 1n60 s GLN 114 Ca -0.12 2.18 0.00 0.00 0.05 0.00 0.00 55.36 57.47 1n60 s GLN 114 Cb -0.03 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.95 1n60 s GLN 114 CO 0.06 -0.30 0.00 0.09 -0.55 0.00 0.00 175.29 174.59 1n60 n ASN 115 N 2.09 -2.35 -4.71 6.67 5.03 0.78 -4.86 115.26 117.92 1n60 n ASN 115 Ca 0.05 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.11 1n60 n ASN 115 Cb 0.42 -0.39 0.04 0.00 -1.02 0.00 0.00 39.78 38.82 1n60 n ASN 115 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1n60 n GLN 116 N -2.78 1.61 -2.08 3.52 7.27 -0.78 -4.25 117.38 119.89 1n60 n GLN 116 Ca 0.00 0.59 -0.42 0.00 0.07 0.00 0.00 57.00 57.24 1n60 n GLN 116 Cb 0.00 -2.44 -0.03 0.00 2.41 0.00 0.00 30.24 30.18 1n60 n GLN 116 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1n60 s GLU 117 N -2.67 4.26 -0.04 3.69 8.01 -1.26 0.12 118.70 130.80 1n60 s GLU 117 Ca 0.69 2.16 0.01 0.00 0.01 0.00 0.00 54.97 57.85 1n60 s GLU 117 Cb -0.44 -3.42 -0.03 0.00 -4.31 0.00 0.00 34.13 25.92 1n60 s GLU 117 CO 0.51 -0.58 -0.03 0.28 0.01 0.00 0.00 175.26 175.45 1n60 n VAL 118 N 4.36 0.26 -3.71 2.63 0.31 0.57 -1.34 118.33 121.41 1n60 n VAL 118 Ca 0.14 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1n60 n VAL 118 Cb 0.42 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.55 1n60 n VAL 118 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n60 s ALA 119 N -2.09 -0.86 -0.23 3.52 0.00 -1.04 -4.31 121.76 116.76 1n60 s ALA 119 Ca -0.05 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1n60 s ALA 119 Cb 0.01 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1n60 s ALA 119 CO 0.12 -0.40 -0.10 0.12 0.00 0.00 0.00 175.76 175.50 1n60 s PHE 120 N -2.25 2.72 -0.10 0.00 5.36 0.04 -0.62 117.98 123.14 1n60 s PHE 120 Ca -0.07 -1.89 -0.14 0.00 -0.96 0.00 0.00 56.93 53.88 1n60 s PHE 120 Cb -0.02 -1.74 -0.05 0.00 -0.34 0.00 0.00 43.02 40.88 1n60 s PHE 120 CO -0.01 -0.80 0.34 0.08 -1.46 0.00 0.00 175.22 173.36 1n60 s VAL 121 N 1.29 5.22 -0.13 3.12 1.01 0.48 -0.66 120.40 130.73 1n60 s VAL 121 Ca -0.05 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.61 1n60 s VAL 121 Cb -0.18 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1n60 s VAL 121 CO -0.07 0.47 -0.20 -0.69 0.00 0.00 0.00 175.10 174.62 1n60 s VAL 122 N -0.21 1.87 0.27 2.92 1.01 -0.04 -1.17 120.40 125.06 1n60 s VAL 122 Ca 0.20 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1n60 s VAL 122 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1n60 s VAL 122 CO 0.08 0.51 0.21 0.00 0.00 0.00 0.00 175.10 175.90 1n60 s ALA 123 N 0.92 1.55 0.28 5.51 0.00 0.29 -0.22 121.76 130.09 1n60 s ALA 123 Ca -0.06 -1.90 0.01 0.00 0.00 0.00 0.00 51.96 50.02 1n60 s ALA 123 Cb -0.15 1.43 0.56 0.00 0.00 0.00 0.00 23.12 24.97 1n60 s ALA 123 CO -0.03 -0.63 1.81 -0.22 0.00 0.00 0.00 175.76 176.69 1n60 h LYS 124 N 2.36 0.83 -3.23 0.00 3.64 -0.97 -0.10 116.57 119.10 1n60 h LYS 124 Ca -0.30 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 1n60 h LYS 124 Cb 1.24 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1n60 h LYS 124 CO 0.44 0.55 0.16 0.16 -2.27 0.00 0.00 179.45 178.49 1n60 s ASP 125 N -5.57 0.09 0.46 4.20 1.47 -1.26 -4.45 116.67 111.61 1n60 s ASP 125 Ca -0.12 -1.07 0.25 0.00 1.18 0.00 0.00 52.55 52.78 1n60 s ASP 125 Cb 0.22 0.78 1.07 0.00 -0.34 0.00 0.00 42.92 44.65 1n60 s ASP 125 CO 0.80 -1.52 1.90 0.08 0.68 0.00 0.00 175.17 177.11 1n60 h ARG 126 N 2.04 0.00 -0.11 2.11 0.11 -1.88 -1.09 114.38 115.56 1n60 h ARG 126 Ca -0.28 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.69 1n60 h ARG 126 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1n60 h ARG 126 CO 0.36 0.21 -0.34 1.88 0.10 0.00 0.00 179.97 182.18 1n60 h TYR 127 N 0.00 0.55 -0.47 4.08 -1.99 -1.98 -2.37 116.97 114.78 1n60 h TYR 127 Ca -0.00 -0.22 -0.10 0.00 2.00 0.00 0.00 58.73 60.40 1n60 h TYR 127 Cb 0.63 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 1n60 h TYR 127 CO 0.00 0.95 -0.12 0.28 -0.00 0.00 0.00 178.16 179.27 1n60 h VAL 128 N -0.01 1.26 -0.73 -2.88 2.07 -1.92 -1.98 116.25 112.07 1n60 h VAL 128 Ca -0.01 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1n60 h VAL 128 Cb 0.96 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1n60 h VAL 128 CO 0.07 0.42 0.45 0.00 0.02 0.00 0.00 177.57 178.54 1n60 h ALA 129 N 1.08 0.97 -0.77 1.67 0.00 -1.24 -1.38 119.26 119.58 1n60 h ALA 129 Ca 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1n60 h ALA 129 Cb 0.64 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n60 h ALA 129 CO 0.04 0.23 0.28 0.00 0.00 0.00 0.00 179.25 179.80 1n60 h ALA 130 N 1.32 1.00 -0.45 0.00 0.00 -0.90 -1.26 119.26 118.97 1n60 h ALA 130 Ca 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n60 h ALA 130 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1n60 h ALA 130 CO -0.12 0.65 0.22 -0.44 0.00 0.00 0.00 179.25 179.55 1n60 h ASP 131 N 1.12 0.59 0.36 0.00 3.32 -0.85 -2.99 116.42 117.98 1n60 h ASP 131 Ca 0.25 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1n60 h ASP 131 Cb 0.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1n60 h ASP 131 CO -0.02 0.55 -0.50 0.00 -1.72 0.00 0.00 179.24 177.55 1n60 h ALA 132 N 1.06 1.04 -0.87 3.45 0.00 -0.80 -2.36 119.26 120.78 1n60 h ALA 132 Ca 0.15 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1n60 h ALA 132 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1n60 h ALA 132 CO -0.02 0.65 0.57 0.82 0.00 0.00 0.00 179.25 181.27 1n60 h ILE 133 N 0.13 1.16 0.00 0.00 2.04 -1.11 -1.48 117.51 118.26 1n60 h ILE 133 Ca 0.00 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1n60 h ILE 133 Cb 0.93 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1n60 h ILE 133 CO 0.07 0.20 -0.03 -0.33 0.00 0.00 0.00 178.15 178.06 1n60 h GLU 134 N 1.10 0.00 0.00 2.37 4.39 -1.29 -2.77 114.58 118.38 1n60 h GLU 134 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1n60 h GLU 134 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1n60 h GLU 134 CO -0.10 0.03 -0.44 1.28 -1.16 0.00 0.00 179.01 178.63 1n60 n LEU 135 N -3.16 0.57 -4.75 1.33 4.77 -0.56 -4.85 117.00 110.35 1n60 n LEU 135 Ca -0.00 0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 1n60 n LEU 135 Cb 0.27 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1n60 n LEU 135 CO 0.27 -0.02 0.77 -0.69 -1.33 0.00 0.00 177.39 176.40 1n60 s VAL 136 N -3.09 3.70 -0.13 4.08 1.01 -1.05 -4.34 120.40 120.57 1n60 s VAL 136 Ca 0.09 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1n60 s VAL 136 Cb 0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1n60 s VAL 136 CO 0.68 0.35 -0.20 -1.61 0.00 0.00 0.00 175.10 174.31 1n60 s GLU 137 N -1.01 3.12 -0.08 2.72 2.02 -0.43 -4.97 118.70 120.06 1n60 s GLU 137 Ca 0.46 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.65 1n60 s GLU 137 Cb -0.30 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1n60 s GLU 137 CO 0.38 0.07 -0.13 0.08 0.02 0.00 0.00 175.26 175.68 1n60 s VAL 138 N 0.64 3.14 -0.37 2.63 1.01 -1.26 -0.29 120.40 125.91 1n60 s VAL 138 Ca -0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1n60 s VAL 138 Cb -0.16 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1n60 s VAL 138 CO 0.02 0.57 0.21 -0.62 0.00 0.00 0.00 175.10 175.28 1n60 s ASP 139 N -0.34 5.78 0.08 3.32 2.15 -0.46 -5.02 116.67 122.18 1n60 s ASP 139 Ca 0.03 -0.85 0.05 0.00 0.43 0.00 0.00 52.55 52.21 1n60 s ASP 139 Cb -0.13 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1n60 s ASP 139 CO 0.02 -0.35 -0.01 -0.31 -0.17 0.00 0.00 175.17 174.36 1n60 s TYR 140 N 1.60 2.98 -0.33 -5.34 2.02 -1.26 -0.53 117.35 116.48 1n60 s TYR 140 Ca 0.03 -0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 1n60 s TYR 140 Cb -0.19 -1.54 0.10 0.00 -0.40 0.00 0.00 41.96 39.93 1n60 s TYR 140 CO 0.07 0.47 0.04 -2.00 -1.57 0.00 0.00 175.55 172.57 1n60 s GLU 141 N -2.23 1.45 0.54 -0.62 2.12 0.18 -4.92 118.70 115.21 1n60 s GLU 141 Ca 0.25 -1.74 -0.22 0.00 0.36 0.00 0.00 54.97 53.62 1n60 s GLU 141 Cb -0.12 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.18 1n60 s GLU 141 CO 0.17 -0.91 1.35 -2.30 -0.54 0.00 0.00 175.26 173.03 1n60 n PRO 142 N 4.34 1.69 -4.38 4.30 -0.02 -1.26 -0.86 135.00 138.79 1n60 n PRO 142 Ca 0.02 0.62 -0.24 0.00 -2.02 0.00 0.00 63.50 61.88 1n60 n PRO 142 Cb 0.42 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.23 1n60 n PRO 142 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1n60 s LEU 143 N -3.35 2.45 0.27 2.45 1.43 0.31 -4.83 118.68 117.42 1n60 s LEU 143 Ca 0.71 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1n60 s LEU 143 Cb -0.42 -1.00 -0.13 0.00 0.03 0.00 0.00 46.19 44.68 1n60 s LEU 143 CO 0.49 0.04 1.42 -2.65 0.23 0.00 0.00 176.35 175.88 1n60 n PRO 144 N 0.18 2.18 -3.79 1.29 -0.02 -1.26 -4.66 135.00 128.93 1n60 n PRO 144 Ca -0.12 0.77 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1n60 n PRO 144 Cb 0.57 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1n60 n PRO 144 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n60 s VAL 145 N -0.29 5.38 -0.23 -1.45 1.01 -1.26 -4.80 120.40 118.76 1n60 s VAL 145 Ca 0.64 0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.88 1n60 s VAL 145 Cb -0.60 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1n60 s VAL 145 CO 0.52 0.52 -0.11 -0.22 0.00 0.00 0.00 175.10 175.82 1n60 s LEU 146 N -1.31 2.94 0.00 3.92 2.96 -1.26 -4.93 118.68 121.00 1n60 s LEU 146 Ca 0.21 -0.89 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 1n60 s LEU 146 Cb -0.13 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1n60 s LEU 146 CO 0.10 -0.10 0.00 1.33 -1.32 0.00 0.00 176.35 176.36 1n60 n VAL 147 N 4.62 0.00 -3.36 1.68 0.24 -1.26 -0.65 118.33 119.60 1n60 n VAL 147 Ca -0.17 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.34 61.53 1n60 n VAL 147 Cb 0.47 0.65 -0.09 0.00 -1.47 0.00 0.00 33.84 33.41 1n60 n VAL 147 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1n60 s ASP 148 N -1.38 6.16 0.56 -1.34 -1.08 -1.26 -4.92 116.67 113.41 1n60 s ASP 148 Ca 0.00 -0.92 0.31 0.00 -0.52 0.00 0.00 52.55 51.42 1n60 s ASP 148 Cb 0.00 -2.20 1.64 0.00 -1.46 0.00 0.00 42.92 40.89 1n60 s ASP 148 CO 0.00 -0.59 2.13 1.55 0.52 0.00 0.00 175.17 178.78 1n60 h PRO 149 N 8.74 0.00 0.00 4.34 0.13 -1.94 0.11 132.00 143.37 1n60 h PRO 149 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1n60 h PRO 149 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1n60 h PRO 149 CO 0.81 0.07 0.00 1.19 -0.23 0.00 0.00 178.00 179.85 1n60 n PHE 150 N -3.52 0.64 0.45 1.56 3.72 -1.26 -1.96 117.46 117.10 1n60 n PHE 150 Ca -0.02 0.27 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 1n60 n PHE 150 Cb 0.20 -0.94 0.06 0.00 -0.94 0.00 0.00 39.48 37.86 1n60 n PHE 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1n60 n LYS 151 N -2.10 0.80 0.25 -1.08 5.02 0.00 -4.68 118.16 116.37 1n60 n LYS 151 Ca 0.01 -1.27 0.10 0.00 -2.02 0.00 0.00 58.31 55.14 1n60 n LYS 151 Cb 0.17 -1.23 0.65 0.00 -0.02 0.00 0.00 35.03 34.60 1n60 n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n60 h ALA 152 N 2.34 1.42 -0.36 7.82 0.00 -1.14 -2.66 119.26 126.68 1n60 h ALA 152 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1n60 h ALA 152 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1n60 h ALA 152 CO 0.00 0.18 0.02 -1.33 0.00 0.00 0.00 179.25 178.13 1n60 n MET 153 N -3.87 3.01 -2.10 0.00 2.81 -1.26 -4.49 117.12 111.22 1n60 n MET 153 Ca -0.02 -2.95 -0.32 0.00 -1.81 0.00 0.00 57.70 52.60 1n60 n MET 153 Cb 0.24 -1.92 -0.00 0.00 -0.71 0.00 0.00 33.22 30.83 1n60 n MET 153 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1n60 s GLU 154 N -2.91 3.56 0.36 0.03 2.02 -1.00 -4.95 118.70 115.81 1n60 s GLU 154 Ca 0.45 1.00 0.11 0.00 0.02 0.00 0.00 54.97 56.55 1n60 s GLU 154 Cb 0.37 -2.08 0.87 0.00 0.10 0.00 0.00 34.13 33.39 1n60 s GLU 154 CO 0.09 -0.60 1.85 -1.35 0.02 0.00 0.00 175.26 175.27 1n60 h PRO 155 N 0.36 0.62 -0.58 0.39 0.11 -1.94 -2.01 132.00 128.95 1n60 h PRO 155 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1n60 h PRO 155 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1n60 h PRO 155 CO 0.60 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1n60 n ASP 156 N -4.58 5.19 -4.77 -2.05 5.68 -1.26 -4.96 116.55 109.80 1n60 n ASP 156 Ca 0.19 -2.73 -0.41 0.00 -0.50 0.00 0.00 54.79 51.34 1n60 n ASP 156 Cb 0.54 -0.63 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 1n60 n ASP 156 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n60 s ALA 157 N -2.38 3.51 0.39 2.12 0.00 -0.76 -4.91 121.76 119.72 1n60 s ALA 157 Ca 0.52 1.30 -0.24 0.00 0.00 0.00 0.00 51.96 53.53 1n60 s ALA 157 Cb 0.37 -3.50 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1n60 s ALA 157 CO 0.19 -0.69 0.81 -2.30 0.00 0.00 0.00 175.76 173.77 1n60 n PRO 158 N 0.87 0.98 -2.81 0.00 -0.02 -1.26 -4.88 135.00 127.87 1n60 n PRO 158 Ca 0.01 0.35 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1n60 n PRO 158 Cb 0.41 -1.76 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1n60 n PRO 158 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1n60 s LEU 159 N 0.64 4.28 -0.08 2.45 0.20 -1.26 -4.86 118.68 120.05 1n60 s LEU 159 Ca 0.63 -1.12 -0.05 0.00 0.69 0.00 0.00 54.13 54.28 1n60 s LEU 159 Cb -0.62 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 42.67 1n60 s LEU 159 CO 0.58 -1.44 0.19 -0.07 -0.29 0.00 0.00 176.35 175.31 1n60 h LEU 160 N 11.51 -0.12 -7.37 -0.68 4.07 -1.90 -3.40 115.31 117.43 1n60 h LEU 160 Ca -0.19 -0.02 -0.76 0.00 0.08 0.00 0.00 57.88 56.99 1n60 h LEU 160 Cb 1.06 0.03 -0.19 0.00 1.08 0.00 0.00 40.66 42.63 1n60 h LEU 160 CO 1.20 0.38 1.33 0.54 -1.08 0.00 0.00 178.44 180.81 1n60 n ARG 161 N -4.87 3.53 0.24 1.13 5.12 -1.26 -4.71 116.66 115.84 1n60 n ARG 161 Ca -0.02 -3.92 0.08 0.00 -1.93 0.00 0.00 57.85 52.06 1n60 n ARG 161 Cb 0.07 -2.91 0.59 0.00 -1.16 0.00 0.00 32.46 29.06 1n60 n ARG 161 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1n60 h GLU 162 N 6.64 0.00 0.00 5.56 4.39 -1.97 -2.62 114.58 126.58 1n60 h GLU 162 Ca 0.31 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1n60 h GLU 162 Cb 0.80 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1n60 h GLU 162 CO 1.30 0.17 -0.03 0.38 -1.16 0.00 0.00 179.01 179.67 1n60 h ASP 163 N 0.00 0.00 0.00 1.42 2.03 -1.98 -2.65 116.42 115.24 1n60 h ASP 163 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 1n60 h ASP 163 Cb 0.36 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.79 1n60 h ASP 163 CO 0.02 0.03 -0.46 2.30 -1.03 0.00 0.00 179.24 180.11 1n60 n ILE 164 N -3.15 1.58 -0.09 4.15 -5.35 -1.02 -4.84 119.36 110.65 1n60 n ILE 164 Ca 0.00 -2.36 0.08 0.00 -0.27 0.00 0.00 62.75 60.21 1n60 n ILE 164 Cb 0.30 0.02 0.44 0.00 -1.74 0.00 0.00 39.64 38.67 1n60 n ILE 164 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1n60 h LYS 165 N 0.66 0.52 -0.00 6.28 3.64 -1.12 -1.10 116.57 125.45 1n60 h LYS 165 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1n60 h LYS 165 Cb 1.18 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1n60 h LYS 165 CO 0.02 0.34 -0.37 -0.25 -2.27 0.00 0.00 179.45 176.92 1n60 n ASP 166 N -4.48 0.65 -4.45 4.20 10.43 -1.26 -4.76 116.55 116.88 1n60 n ASP 166 Ca 0.08 -0.45 -0.44 0.00 2.57 0.00 0.00 54.79 56.56 1n60 n ASP 166 Cb 0.25 0.16 -0.03 0.00 1.84 0.00 0.00 41.12 43.34 1n60 n ASP 166 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1n60 s LYS 167 N -2.80 3.52 0.13 -1.24 2.20 -0.42 -4.83 119.74 116.31 1n60 s LYS 167 Ca 0.17 -1.64 0.27 0.00 -0.36 0.00 0.00 55.97 54.41 1n60 s LYS 167 Cb 0.18 -4.82 0.96 0.00 -1.51 0.00 0.00 37.83 32.65 1n60 s LYS 167 CO 0.62 -1.77 1.82 -1.33 -0.36 0.00 0.00 175.35 174.32 1n60 n MET 168 N 6.68 0.16 -4.00 4.03 2.81 -1.26 -4.45 117.12 121.08 1n60 n MET 168 Ca 0.20 0.15 -0.34 0.00 -1.81 0.00 0.00 57.70 55.90 1n60 n MET 168 Cb 0.48 -1.69 -0.15 0.00 -0.71 0.00 0.00 33.22 31.15 1n60 n MET 168 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1n60 s THR 169 N -3.07 2.88 0.00 2.03 2.01 -1.26 -0.19 115.64 118.03 1n60 s THR 169 Ca 0.11 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1n60 s THR 169 Cb 0.14 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1n60 s THR 169 CO 0.55 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.56 1n60 n GLY 170 N 4.71 1.39 0.02 4.40 0.00 -0.23 -4.95 105.19 110.52 1n60 n GLY 170 Ca -0.19 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1n60 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 n ALA 171 N -3.00 2.19 -2.57 4.61 0.00 -1.26 -3.70 120.51 116.77 1n60 n ALA 171 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 1n60 n ALA 171 Cb 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.05 1n60 n ALA 171 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n60 n HIS 172 N -1.63 1.83 -1.07 0.00 8.25 -1.26 -5.03 115.22 116.30 1n60 n HIS 172 Ca 0.06 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 55.08 1n60 n HIS 172 Cb 0.32 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1n60 n HIS 172 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n60 n GLY 173 N -0.47 -1.79 3.76 -1.41 0.00 -1.24 -4.37 105.19 99.66 1n60 n GLY 173 Ca 0.19 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1n60 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 s ALA 174 N -1.73 3.00 -0.18 4.61 0.00 -1.26 -1.07 121.76 125.12 1n60 s ALA 174 Ca 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1n60 s ALA 174 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1n60 s ALA 174 CO 0.00 -0.99 -0.02 1.03 0.00 0.00 0.00 175.76 175.78 1n60 s ARG 175 N -2.65 3.62 0.00 0.00 0.52 0.73 -4.37 118.95 116.81 1n60 s ARG 175 Ca 0.65 -0.53 0.25 0.00 -0.52 0.00 0.00 55.73 55.58 1n60 s ARG 175 Cb -0.36 -3.01 0.44 0.00 0.52 0.00 0.00 34.95 32.55 1n60 s ARG 175 CO 0.44 0.09 1.37 0.36 0.02 0.00 0.00 175.30 177.58 1n60 n LYS 176 N 3.99 0.41 -3.60 3.54 2.85 -1.26 -4.87 118.16 119.21 1n60 n LYS 176 Ca -0.17 -0.27 -0.12 0.00 -1.05 0.00 0.00 58.31 56.70 1n60 n LYS 176 Cb 0.52 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.36 1n60 n LYS 176 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1n60 s HIS 177 N -2.78 -0.32 0.53 5.58 5.04 -1.26 -5.01 115.29 117.07 1n60 s HIS 177 Ca 0.16 0.20 0.21 0.00 -1.54 0.00 0.00 55.06 54.09 1n60 s HIS 177 Cb 0.18 0.31 1.35 0.00 0.04 0.00 0.00 32.58 34.46 1n60 s HIS 177 CO 0.65 -0.67 2.06 1.12 -2.34 0.00 0.00 174.74 175.56 1n60 h HIS 178 N 2.60 0.00 -0.40 3.88 2.07 -1.91 -0.26 115.15 121.13 1n60 h HIS 178 Ca -0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 1n60 h HIS 178 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 1n60 h HIS 178 CO 0.35 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.30 1n60 n ASN 179 N -4.43 3.41 -4.71 3.10 3.02 -1.26 -4.73 115.26 109.65 1n60 n ASN 179 Ca 0.04 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 1n60 n ASN 179 Cb 0.38 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 1n60 n ASN 179 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1n60 s HIS 180 N -1.49 3.66 -0.20 3.10 2.46 -0.11 -0.96 115.29 121.75 1n60 s HIS 180 Ca 0.39 1.60 -0.14 0.00 0.47 0.00 0.00 55.06 57.39 1n60 s HIS 180 Cb 0.23 -3.03 -0.19 0.00 -0.13 0.00 0.00 32.58 29.45 1n60 s HIS 180 CO 0.32 0.04 0.10 -0.89 -2.47 0.00 0.00 174.74 171.84 1n60 n ILE 181 N 3.73 1.60 -3.55 0.89 5.41 0.92 -4.74 119.36 123.62 1n60 n ILE 181 Ca 0.04 -0.32 -0.08 0.00 1.00 0.00 0.00 62.75 63.39 1n60 n ILE 181 Cb 0.51 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.54 1n60 n ILE 181 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 1n60 s PHE 182 N -2.46 -0.29 -0.08 1.39 -0.12 -1.23 -4.69 117.98 110.50 1n60 s PHE 182 Ca -0.30 0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 1n60 s PHE 182 Cb 0.08 0.51 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1n60 s PHE 182 CO 0.62 -0.39 -0.21 0.50 -0.05 0.00 0.00 175.22 175.68 1n60 s ARG 183 N -2.34 2.60 -0.00 1.99 6.06 -1.26 -1.17 118.95 124.83 1n60 s ARG 183 Ca 0.04 -0.77 0.01 0.00 -2.50 0.00 0.00 55.73 52.51 1n60 s ARG 183 Cb -0.01 -2.04 -0.00 0.00 0.06 0.00 0.00 34.95 32.95 1n60 s ARG 183 CO -0.05 0.19 -0.05 -0.46 -2.50 0.00 0.00 175.30 172.43 1n60 s TRP 184 N 0.29 0.44 0.06 5.12 -0.00 -0.15 -4.91 118.94 119.79 1n60 s TRP 184 Ca -0.14 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.10 55.83 1n60 s TRP 184 Cb -0.16 -0.29 -0.02 0.00 -0.00 0.00 0.00 33.47 33.00 1n60 s TRP 184 CO 0.07 -0.01 0.08 -1.21 -0.00 0.00 0.00 176.95 175.87 1n60 s GLU 185 N -0.07 0.69 0.05 5.86 2.02 -1.26 -0.38 118.70 125.61 1n60 s GLU 185 Ca 0.01 -1.02 -0.24 0.00 0.02 0.00 0.00 54.97 53.74 1n60 s GLU 185 Cb -0.02 0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.53 1n60 s GLU 185 CO -0.00 -0.18 0.57 -1.50 0.02 0.00 0.00 175.26 174.17 1n60 s ILE 186 N -3.61 0.02 0.00 -1.63 2.07 -0.43 -5.00 121.20 112.61 1n60 s ILE 186 Ca 0.04 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.13 1n60 s ILE 186 Cb 0.05 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.65 1n60 s ILE 186 CO -0.09 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.47 1n60 n GLY 187 N 0.38 0.50 3.39 1.50 0.00 -1.26 -0.99 105.19 108.71 1n60 n GLY 187 Ca -0.18 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.26 1n60 n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n60 s ASP 188 N 0.00 6.39 0.10 1.61 2.15 -0.58 -4.88 116.67 121.44 1n60 s ASP 188 Ca 0.00 -1.78 -0.20 0.00 0.43 0.00 0.00 52.55 51.01 1n60 s ASP 188 Cb 0.00 -2.31 -0.08 0.00 -0.30 0.00 0.00 42.92 40.23 1n60 s ASP 188 CO 0.00 -1.02 1.63 0.50 -0.17 0.00 0.00 175.17 176.11 1n60 h LYS 189 N 8.87 0.33 -0.36 4.34 3.64 -1.90 -0.99 116.57 130.50 1n60 h LYS 189 Ca -0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1n60 h LYS 189 Cb 1.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1n60 h LYS 189 CO 1.04 0.38 0.15 0.93 -2.27 0.00 0.00 179.45 179.68 1n60 h GLU 190 N 0.20 0.55 -0.38 1.90 3.07 -1.97 0.47 114.58 118.42 1n60 h GLU 190 Ca 0.07 -0.10 -0.14 0.00 -0.50 0.00 0.00 59.36 58.69 1n60 h GLU 190 Cb 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1n60 h GLU 190 CO -0.01 0.53 -0.32 0.78 -1.40 0.00 0.00 179.01 178.59 1n60 h GLY 191 N 0.44 0.93 0.89 -3.84 0.00 -1.97 -1.19 103.07 98.33 1n60 h GLY 191 Ca 0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1n60 h GLY 191 CO -0.01 0.81 0.09 -0.84 0.00 0.00 0.00 176.54 176.58 1n60 h THR 192 N 0.72 1.20 -0.84 4.70 2.02 -0.99 -1.35 112.91 118.36 1n60 h THR 192 Ca 0.07 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.61 1n60 h THR 192 Cb 0.88 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1n60 h THR 192 CO 0.08 0.21 0.49 0.44 0.37 0.00 0.00 175.52 177.11 1n60 h ASP 193 N 0.28 1.03 -0.51 4.18 3.32 -0.79 -0.37 116.42 123.55 1n60 h ASP 193 Ca 0.09 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 1n60 h ASP 193 Cb 0.24 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1n60 h ASP 193 CO -0.00 0.80 0.08 0.00 -1.72 0.00 0.00 179.24 178.40 1n60 h ALA 194 N 1.26 1.09 -0.33 3.45 0.00 -1.11 0.62 119.26 124.25 1n60 h ALA 194 Ca 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1n60 h ALA 194 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1n60 h ALA 194 CO -0.05 0.59 -0.02 1.15 0.00 0.00 0.00 179.25 180.91 1n60 h THR 195 N 0.85 1.27 -0.34 0.00 2.02 -0.38 -2.75 112.91 113.58 1n60 h THR 195 Ca 0.17 -1.01 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1n60 h THR 195 Cb 0.39 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1n60 h THR 195 CO 0.01 0.33 -0.16 -0.26 0.37 0.00 0.00 175.52 175.81 1n60 h PHE 196 N 0.40 0.67 0.00 3.16 0.04 -0.73 -0.34 116.94 120.14 1n60 h PHE 196 Ca 0.09 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1n60 h PHE 196 Cb 0.49 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1n60 h PHE 196 CO 0.04 0.73 -0.13 0.00 -0.60 0.00 0.00 178.31 178.35 1n60 h ALA 197 N 1.28 1.33 -0.00 2.45 0.00 -0.66 -3.24 119.26 120.42 1n60 h ALA 197 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n60 h ALA 197 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1n60 h ALA 197 CO 0.04 0.16 -0.10 1.63 0.00 0.00 0.00 179.25 180.98 1n60 n LYS 198 N -3.72 4.10 -1.97 0.00 5.02 -1.06 -5.07 118.16 115.47 1n60 n LYS 198 Ca -0.02 -0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 55.71 1n60 n LYS 198 Cb 0.24 -0.76 0.04 0.00 -0.02 0.00 0.00 35.03 34.52 1n60 n LYS 198 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n60 s ALA 199 N -0.99 2.52 0.17 7.82 0.00 -0.16 -4.94 121.76 126.18 1n60 s ALA 199 Ca 0.02 0.93 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1n60 s ALA 199 Cb 0.02 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1n60 s ALA 199 CO 0.10 -1.19 1.66 0.93 0.00 0.00 0.00 175.76 177.26 1n60 h GLU 200 N 0.74 0.94 -4.50 0.00 5.08 -1.90 -3.42 114.58 111.52 1n60 h GLU 200 Ca -0.50 -0.24 -0.52 0.00 -1.00 0.00 0.00 59.36 57.09 1n60 h GLU 200 Cb 1.29 -0.11 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 1n60 h GLU 200 CO 0.55 0.89 -0.81 0.08 -1.00 0.00 0.00 179.01 178.71 1n60 s VAL 201 N -5.23 1.15 -0.08 3.13 1.01 -0.40 -4.93 120.40 115.06 1n60 s VAL 201 Ca -0.12 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1n60 s VAL 201 Cb 0.13 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1n60 s VAL 201 CO 0.82 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 175.38 1n60 s VAL 202 N 0.92 1.83 -0.19 2.92 1.01 -1.26 -0.90 120.40 124.72 1n60 s VAL 202 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1n60 s VAL 202 Cb -0.15 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1n60 s VAL 202 CO 0.01 0.51 -0.07 -0.55 0.00 0.00 0.00 175.10 174.99 1n60 s SER 203 N 0.31 3.25 -0.02 3.32 0.15 0.27 -4.99 113.70 115.99 1n60 s SER 203 Ca -0.15 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 55.70 1n60 s SER 203 Cb -0.16 -1.09 -0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1n60 s SER 203 CO 0.07 -0.18 -0.15 -0.75 1.20 0.00 0.00 173.24 173.43 1n60 s LYS 204 N 1.50 1.32 0.11 5.44 2.20 -1.26 -0.86 119.74 128.19 1n60 s LYS 204 Ca -0.01 -0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 54.94 1n60 s LYS 204 Cb -0.16 -1.24 0.02 0.00 -1.51 0.00 0.00 37.83 34.93 1n60 s LYS 204 CO -0.08 0.29 0.29 -0.51 -0.36 0.00 0.00 175.35 174.99 1n60 s ASP 205 N -0.23 -0.04 -0.35 1.43 1.01 -0.54 -5.00 116.67 112.94 1n60 s ASP 205 Ca 0.03 -0.50 -0.06 0.00 0.71 0.00 0.00 52.55 52.72 1n60 s ASP 205 Cb -0.07 0.40 0.05 0.00 1.01 0.00 0.00 42.92 44.31 1n60 s ASP 205 CO 0.00 -0.79 0.13 -0.32 0.21 0.00 0.00 175.17 174.40 1n60 s MET 206 N -3.84 2.57 -0.27 8.23 1.75 -1.26 -0.60 119.30 125.88 1n60 s MET 206 Ca 0.04 -1.27 -0.10 0.00 -1.25 0.00 0.00 55.69 53.11 1n60 s MET 206 Cb 0.03 -3.50 -0.05 0.00 2.84 0.00 0.00 34.83 34.16 1n60 s MET 206 CO -0.11 -0.73 0.17 -0.06 -0.65 0.00 0.00 175.02 173.64 1n60 s PHE 207 N 1.38 3.22 -0.21 4.11 0.08 0.32 -4.88 117.98 122.00 1n60 s PHE 207 Ca -0.01 0.07 -0.11 0.00 0.12 0.00 0.00 56.93 57.00 1n60 s PHE 207 Cb -0.20 -2.34 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1n60 s PHE 207 CO 0.02 -0.14 0.20 0.99 -0.10 0.00 0.00 175.22 176.18 1n60 s THR 208 N 1.61 5.35 -0.55 0.64 2.01 -1.26 -0.38 115.64 123.06 1n60 s THR 208 Ca 0.07 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.21 1n60 s THR 208 Cb -0.15 -3.54 0.13 0.00 0.01 0.00 0.00 72.50 68.95 1n60 s THR 208 CO 0.09 0.37 0.52 -0.47 -0.69 0.00 0.00 174.62 174.44 1n60 s TYR 209 N 0.75 3.25 0.76 4.92 6.14 0.36 -4.42 117.35 129.12 1n60 s TYR 209 Ca 0.10 -1.29 -0.12 0.00 0.64 0.00 0.00 57.07 56.40 1n60 s TYR 209 Cb -0.13 -3.81 0.05 0.00 0.42 0.00 0.00 41.96 38.49 1n60 s TYR 209 CO 0.03 -1.04 1.12 -3.38 0.64 0.00 0.00 175.55 172.91 1n60 s HIS 210 N 1.63 2.39 0.13 4.97 -3.43 -1.26 -0.69 115.29 119.03 1n60 s HIS 210 Ca 0.04 1.60 -0.31 0.00 -0.80 0.00 0.00 55.06 55.58 1n60 s HIS 210 Cb -0.29 -3.17 -0.08 0.00 -1.43 0.00 0.00 32.58 27.61 1n60 s HIS 210 CO 0.03 -2.00 1.43 0.50 -2.00 0.00 0.00 174.74 172.70 1n60 s ARG 211 N -4.55 4.30 0.00 -0.38 3.52 -1.26 -3.76 118.95 116.82 1n60 s ARG 211 Ca 0.65 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 1n60 s ARG 211 Cb -0.20 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 29.97 1n60 s ARG 211 CO 0.51 -0.47 0.00 1.33 -0.81 0.00 0.00 175.30 175.87 1n60 n VAL 212 N 3.86 0.00 -3.74 7.11 0.24 -0.31 -1.50 118.33 124.00 1n60 n VAL 212 Ca 0.12 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.27 1n60 n VAL 212 Cb 0.41 0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 1n60 n VAL 212 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n60 s HIS 213 N -1.80 -0.40 0.32 6.34 2.46 -1.26 -0.99 115.29 119.95 1n60 s HIS 213 Ca 0.00 0.96 0.25 0.00 0.47 0.00 0.00 55.06 56.74 1n60 s HIS 213 Cb 0.00 0.14 1.18 0.00 -0.13 0.00 0.00 32.58 33.78 1n60 s HIS 213 CO 0.00 -0.23 1.96 -1.00 -2.47 0.00 0.00 174.74 173.00 1n60 h PRO 214 N 5.32 0.00 -6.97 2.88 0.13 -1.86 -3.48 132.00 128.02 1n60 h PRO 214 Ca -0.27 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 1n60 h PRO 214 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1n60 h PRO 214 CO 0.28 0.19 -0.99 0.45 -0.23 0.00 0.00 178.00 177.69 1n60 n SER 215 N -3.60 -4.00 -4.74 1.44 2.88 -1.26 -4.88 113.62 99.45 1n60 n SER 215 Ca -0.01 -1.25 -0.37 0.00 -1.33 0.00 0.00 58.87 55.91 1n60 n SER 215 Cb 0.32 -1.53 0.05 0.00 -0.75 0.00 0.00 64.21 62.31 1n60 n SER 215 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n60 s PRO 216 N -7.23 2.89 0.40 -1.46 0.04 -1.26 -4.89 135.00 123.48 1n60 s PRO 216 Ca 0.44 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.62 1n60 s PRO 216 Cb -0.25 -2.02 0.83 0.00 0.04 0.00 0.00 34.50 33.10 1n60 s PRO 216 CO 0.94 -1.33 1.96 1.25 0.04 0.00 0.00 177.00 179.86 1n60 h LEU 217 N 0.97 0.28 -9.18 -3.56 5.85 -1.86 -3.36 115.31 104.44 1n60 h LEU 217 Ca -0.51 -0.04 -0.59 0.00 0.84 0.00 0.00 57.88 57.58 1n60 h LEU 217 Cb 1.31 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.17 1n60 h LEU 217 CO 0.55 0.36 -0.10 -0.70 -0.34 0.00 0.00 178.44 178.21 1n60 s GLU 218 N -4.93 4.23 0.98 1.25 2.12 -0.98 -5.08 118.70 116.29 1n60 s GLU 218 Ca -0.06 0.38 -0.17 0.00 0.36 0.00 0.00 54.97 55.48 1n60 s GLU 218 Cb 0.16 -3.52 0.24 0.00 0.26 0.00 0.00 34.13 31.27 1n60 s GLU 218 CO 0.73 -0.04 0.99 0.25 -0.54 0.00 0.00 175.26 176.64 1n60 n THR 219 N 4.26 0.00 -2.74 -1.70 -2.24 -1.26 -4.86 114.28 105.74 1n60 n THR 219 Ca -0.06 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 60.80 1n60 n THR 219 Cb 0.51 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.37 1n60 n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n60 s GLN 221 N -1.47 0.76 0.21 0.00 -2.07 -1.26 -2.41 119.66 113.42 1n60 s GLN 221 Ca 0.44 -0.29 -0.18 0.00 -1.82 0.00 0.00 55.36 53.51 1n60 s GLN 221 Cb -0.24 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.05 1n60 s GLN 221 CO 0.30 -0.33 0.57 0.00 -1.32 0.00 0.00 175.29 174.51 1n60 s VAL 223 N -3.88 1.16 -0.16 0.00 1.01 0.29 -0.74 120.40 118.08 1n60 s VAL 223 Ca 0.10 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1n60 s VAL 223 Cb -0.02 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1n60 s VAL 223 CO -0.01 0.23 0.13 0.00 0.00 0.00 0.00 175.10 175.45 1n60 s ALA 224 N 1.63 3.74 -0.30 5.51 0.00 0.02 -1.03 121.76 131.33 1n60 s ALA 224 Ca 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 1n60 s ALA 224 Cb -0.14 -2.04 0.10 0.00 0.00 0.00 0.00 23.12 21.04 1n60 s ALA 224 CO -0.08 0.37 0.13 0.45 0.00 0.00 0.00 175.76 176.63 1n60 s SER 225 N -0.28 3.63 -0.24 0.00 0.15 0.13 -0.18 113.70 116.92 1n60 s SER 225 Ca 0.11 -1.48 -0.25 0.00 0.70 0.00 0.00 55.95 55.03 1n60 s SER 225 Cb -0.12 -0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1n60 s SER 225 CO 0.01 -0.42 0.85 -0.32 1.20 0.00 0.00 173.24 174.56 1n60 s MET 226 N 1.86 4.19 -0.60 5.44 1.75 -1.26 -0.69 119.30 129.99 1n60 s MET 226 Ca 0.10 0.99 -0.22 0.00 -1.25 0.00 0.00 55.69 55.30 1n60 s MET 226 Cb -0.17 -3.64 0.06 0.00 2.84 0.00 0.00 34.83 33.92 1n60 s MET 226 CO -0.30 -0.53 0.89 0.34 -0.65 0.00 0.00 175.02 174.77 1n60 s ASP 227 N 1.32 6.24 0.29 1.11 -1.08 0.40 -4.36 116.67 120.60 1n60 s ASP 227 Ca 0.36 -0.78 0.26 0.00 -0.52 0.00 0.00 52.55 51.87 1n60 s ASP 227 Cb -0.15 -2.40 0.85 0.00 -1.46 0.00 0.00 42.92 39.75 1n60 s ASP 227 CO 0.07 -1.27 1.76 0.11 0.52 0.00 0.00 175.17 176.36 1n60 h LYS 228 N 9.38 0.00 -0.20 4.34 1.57 -1.84 0.21 116.57 130.03 1n60 h LYS 228 Ca -0.28 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 1n60 h LYS 228 Cb 1.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1n60 h LYS 228 CO 1.11 0.00 -0.25 0.82 -0.57 0.00 0.00 179.45 180.56 1n60 h ILE 229 N 0.00 1.33 0.00 1.86 2.04 -1.96 -3.33 117.51 117.46 1n60 h ILE 229 Ca 0.00 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.41 1n60 h ILE 229 Cb 0.65 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1n60 h ILE 229 CO 0.00 0.44 -1.16 0.29 0.00 0.00 0.00 178.15 177.72 1n60 n LYS 230 N -4.39 0.55 -2.55 2.37 5.02 -1.07 -4.97 118.16 113.12 1n60 n LYS 230 Ca -0.05 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1n60 n LYS 230 Cb 0.44 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1n60 n LYS 230 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n60 n GLY 231 N 1.23 0.18 3.08 0.72 0.00 0.71 -5.02 105.19 106.09 1n60 n GLY 231 Ca -0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 1n60 n GLY 231 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n60 s GLU 232 N -4.97 1.56 -0.18 1.61 2.02 -1.04 -4.93 118.70 112.77 1n60 s GLU 232 Ca 0.12 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 1n60 s GLU 232 Cb -0.05 -1.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.78 1n60 s GLU 232 CO 0.15 0.16 0.10 -1.17 0.02 0.00 0.00 175.26 174.52 1n60 s LEU 233 N 0.21 4.05 -0.12 1.80 2.96 0.43 -0.45 118.68 127.56 1n60 s LEU 233 Ca -0.06 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1n60 s LEU 233 Cb -0.12 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1n60 s LEU 233 CO 0.02 0.20 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.28 1n60 s THR 234 N 0.21 3.54 -0.26 3.68 2.01 0.13 -0.05 115.64 124.90 1n60 s THR 234 Ca 0.07 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 1n60 s THR 234 Cb -0.12 -2.50 0.08 0.00 0.01 0.00 0.00 72.50 69.98 1n60 s THR 234 CO -0.01 0.54 0.06 -0.22 -0.69 0.00 0.00 174.62 174.30 1n60 s LEU 235 N -0.02 1.90 0.10 4.42 2.96 -0.00 0.21 118.68 128.26 1n60 s LEU 235 Ca -0.01 -1.32 -0.26 0.00 -0.22 0.00 0.00 54.13 52.32 1n60 s LEU 235 Cb -0.14 -0.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.69 1n60 s LEU 235 CO 0.03 -0.36 0.80 0.26 -1.32 0.00 0.00 176.35 175.77 1n60 s TRP 236 N 1.68 3.81 0.03 5.38 0.51 -0.19 -0.63 118.94 129.53 1n60 s TRP 236 Ca 0.05 1.59 -0.29 0.00 -2.12 0.00 0.00 56.10 55.33 1n60 s TRP 236 Cb -0.17 -2.84 0.10 0.00 -0.81 0.00 0.00 33.47 29.74 1n60 s TRP 236 CO -0.18 0.35 1.11 0.20 -0.51 0.00 0.00 176.95 177.92 1n60 s GLY 237 N -0.44 -0.34 -1.29 0.98 0.00 -0.41 -0.55 107.32 105.28 1n60 s GLY 237 Ca 0.39 0.62 -0.17 0.00 0.00 0.00 0.00 44.72 45.55 1n60 s GLY 237 CO 0.25 0.15 1.70 -1.30 0.00 0.00 0.00 173.10 173.91 1n60 n THR 238 N -0.41 3.99 -4.07 0.90 -2.24 -0.72 -4.25 114.28 107.48 1n60 n THR 238 Ca -0.07 -4.18 -0.33 0.00 -2.27 0.00 0.00 64.05 57.20 1n60 n THR 238 Cb 0.61 -2.37 -0.15 0.00 -2.10 0.00 0.00 70.33 66.32 1n60 n THR 238 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1n60 s PHE 239 N 3.87 2.94 0.14 4.78 0.08 -1.26 -4.76 117.98 123.77 1n60 s PHE 239 Ca 0.52 -1.75 0.28 0.00 0.12 0.00 0.00 56.93 56.11 1n60 s PHE 239 Cb 0.03 -1.95 1.13 0.00 -0.57 0.00 0.00 43.02 41.65 1n60 s PHE 239 CO 0.07 -0.80 1.90 1.96 -0.10 0.00 0.00 175.22 178.25 1n60 h GLN 240 N 7.92 0.00 -2.09 0.44 4.20 -1.29 -3.36 115.11 120.95 1n60 h GLN 240 Ca -0.38 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.76 1n60 h GLN 240 Cb 1.11 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.50 1n60 h GLN 240 CO 0.59 0.13 -1.00 0.00 -0.67 0.00 0.00 178.83 177.88 1n60 n ALA 241 N -2.18 2.76 0.06 3.87 0.00 -1.26 -1.15 120.51 122.62 1n60 n ALA 241 Ca 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1n60 n ALA 241 Cb 0.37 -0.82 0.32 0.00 0.00 0.00 0.00 19.45 19.31 1n60 n ALA 241 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1n60 h PRO 242 N 4.20 0.36 -0.40 0.00 0.13 -1.91 -1.10 132.00 133.28 1n60 h PRO 242 Ca 0.11 -0.10 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 1n60 h PRO 242 Cb 0.84 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1n60 h PRO 242 CO 0.52 0.50 -0.19 0.45 -0.23 0.00 0.00 178.00 179.05 1n60 h HIS 243 N 0.34 0.97 -0.41 1.56 3.86 -1.91 -0.04 115.15 119.52 1n60 h HIS 243 Ca 0.07 -0.24 0.04 0.00 -1.16 0.00 0.00 60.37 59.08 1n60 h HIS 243 Cb 0.44 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1n60 h HIS 243 CO 0.01 1.01 0.17 0.28 0.86 0.00 0.00 177.93 180.26 1n60 h VAL 244 N 0.66 0.91 -0.85 2.45 2.07 -1.65 -1.32 116.25 118.52 1n60 h VAL 244 Ca 0.09 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1n60 h VAL 244 Cb 0.75 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1n60 h VAL 244 CO 0.06 0.06 0.53 0.40 0.02 0.00 0.00 177.57 178.64 1n60 h ILE 245 N 0.35 1.06 -0.24 4.57 1.08 -0.91 -0.41 117.51 123.01 1n60 h ILE 245 Ca 0.19 -0.34 0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1n60 h ILE 245 Cb 0.15 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 33.86 1n60 h ILE 245 CO -0.17 0.18 0.05 -0.09 -0.69 0.00 0.00 178.15 177.43 1n60 h ARG 246 N 0.98 0.15 -0.63 2.37 2.43 -0.34 0.19 114.38 119.53 1n60 h ARG 246 Ca 0.36 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 1n60 h ARG 246 Cb 0.14 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1n60 h ARG 246 CO -0.16 0.10 0.23 1.15 -1.51 0.00 0.00 179.97 179.77 1n60 h THR 247 N 0.15 1.24 -0.32 0.20 2.02 -0.74 0.59 112.91 116.05 1n60 h THR 247 Ca 0.11 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1n60 h THR 247 Cb 0.10 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1n60 h THR 247 CO -0.14 0.30 0.18 0.58 0.37 0.00 0.00 175.52 176.82 1n60 h VAL 248 N 0.88 1.13 -0.46 3.16 2.07 -0.75 -0.90 116.25 121.37 1n60 h VAL 248 Ca 0.21 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1n60 h VAL 248 Cb 0.24 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1n60 h VAL 248 CO -0.01 0.13 0.06 0.58 0.02 0.00 0.00 177.57 178.34 1n60 h VAL 249 N 0.40 1.22 -0.12 2.57 2.07 -0.25 -0.86 116.25 121.28 1n60 h VAL 249 Ca 0.11 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1n60 h VAL 249 Cb 0.04 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1n60 h VAL 249 CO -0.02 0.31 0.05 -1.28 0.02 0.00 0.00 177.57 176.65 1n60 h SER 250 N 0.70 0.17 -0.81 0.57 0.87 -0.59 0.13 113.55 114.59 1n60 h SER 250 Ca 0.15 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1n60 h SER 250 Cb 0.35 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1n60 h SER 250 CO 0.01 0.29 0.52 -0.07 -0.53 0.00 0.00 176.83 177.05 1n60 h LEU 251 N 0.04 0.85 0.00 2.23 3.38 -0.63 -0.76 115.31 120.42 1n60 h LEU 251 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1n60 h LEU 251 Cb 0.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n60 h LEU 251 CO -0.00 0.58 -1.17 2.30 0.09 0.00 0.00 178.44 180.24 1n60 n ILE 252 N -4.59 0.49 0.25 1.22 -5.35 -0.38 -4.08 119.36 106.92 1n60 n ILE 252 Ca 0.10 -0.52 0.11 0.00 -0.27 0.00 0.00 62.75 62.17 1n60 n ILE 252 Cb 0.10 -0.25 -0.12 0.00 -1.74 0.00 0.00 39.64 37.63 1n60 n ILE 252 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1n60 n SER 253 N -2.56 0.33 0.00 7.28 3.41 0.43 -4.94 113.62 117.58 1n60 n SER 253 Ca -0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1n60 n SER 253 Cb 0.55 1.52 0.00 0.00 -0.26 0.00 0.00 64.21 66.01 1n60 n SER 253 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n60 n GLY 254 N 1.31 1.07 3.77 5.00 0.00 -0.30 -5.01 105.19 111.02 1n60 n GLY 254 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1n60 n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n60 s LEU 255 N 0.00 4.43 0.56 0.99 1.43 -1.25 -5.01 118.68 119.83 1n60 s LEU 255 Ca 0.00 2.05 -0.17 0.00 -1.03 0.00 0.00 54.13 54.98 1n60 s LEU 255 Cb 0.00 -3.84 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1n60 s LEU 255 CO 0.00 -0.14 1.04 -2.16 0.23 0.00 0.00 176.35 175.32 1n60 s PRO 256 N -1.76 3.55 0.41 1.29 0.04 -1.26 -4.36 135.00 132.90 1n60 s PRO 256 Ca 0.48 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.77 1n60 s PRO 256 Cb -0.25 -2.07 0.86 0.00 0.04 0.00 0.00 34.50 33.08 1n60 s PRO 256 CO 0.32 -0.62 2.06 0.93 0.04 0.00 0.00 177.00 179.73 1n60 h GLU 257 N 0.76 0.54 0.00 4.56 5.08 -1.91 -0.81 114.58 122.80 1n60 h GLU 257 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1n60 h GLU 257 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1n60 h GLU 257 CO 0.59 0.36 0.00 -2.39 -1.00 0.00 0.00 179.01 176.56 1n60 n HIS 258 N -4.47 0.00 -0.58 4.33 1.44 -1.26 -2.25 115.22 112.43 1n60 n HIS 258 Ca 0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.81 1n60 n HIS 258 Cb 0.07 -0.47 0.18 0.00 0.12 0.00 0.00 29.99 29.89 1n60 n HIS 258 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1n60 n LYS 259 N -1.47 2.77 -4.01 -1.40 5.02 -0.32 -4.86 118.16 113.89 1n60 n LYS 259 Ca 0.04 -2.37 -0.31 0.00 -2.02 0.00 0.00 58.31 53.65 1n60 n LYS 259 Cb 0.17 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.52 1n60 n LYS 259 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1n60 s ILE 260 N -1.92 1.82 -0.63 -0.18 1.01 -0.95 -0.43 121.20 119.92 1n60 s ILE 260 Ca 0.30 -1.28 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 1n60 s ILE 260 Cb 0.21 -1.94 0.16 0.00 0.01 0.00 0.00 42.46 40.91 1n60 s ILE 260 CO 0.10 0.05 0.50 -1.00 0.00 0.00 0.00 174.94 174.59 1n60 s HIS 261 N 1.29 3.51 0.00 3.97 3.76 0.92 -4.84 115.29 123.91 1n60 s HIS 261 Ca -0.05 -2.25 -0.24 0.00 -0.15 0.00 0.00 55.06 52.38 1n60 s HIS 261 Cb -0.18 -3.47 -0.05 0.00 1.11 0.00 0.00 32.58 29.99 1n60 s HIS 261 CO -0.07 -0.93 0.71 0.08 -0.85 0.00 0.00 174.74 173.68 1n60 s VAL 262 N 0.47 4.85 -0.19 -0.90 1.01 -1.26 -0.82 120.40 123.56 1n60 s VAL 262 Ca 0.13 1.50 -0.01 0.00 0.00 0.00 0.00 61.98 63.61 1n60 s VAL 262 Cb -0.19 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.18 1n60 s VAL 262 CO -0.04 0.34 -0.02 -0.63 0.00 0.00 0.00 175.10 174.76 1n60 s ILE 263 N 0.15 0.97 -0.43 2.22 1.01 0.20 -1.30 121.20 124.02 1n60 s ILE 263 Ca 0.37 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1n60 s ILE 263 Cb -0.19 -1.29 0.03 0.00 0.01 0.00 0.00 42.46 41.02 1n60 s ILE 263 CO 0.20 -0.04 0.49 0.00 0.00 0.00 0.00 174.94 175.59 1n60 s ALA 264 N 1.67 3.41 0.30 9.38 0.00 0.58 -1.28 121.76 135.83 1n60 s ALA 264 Ca -0.01 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1n60 s ALA 264 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1n60 s ALA 264 CO -0.07 -1.67 0.00 -0.35 0.00 0.00 0.00 175.76 173.67 1n60 n PRO 265 N 5.75 3.50 -2.12 0.00 -0.04 -1.26 -4.48 135.00 136.35 1n60 n PRO 265 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1n60 n PRO 265 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 1n60 n PRO 265 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n60 s ASP 266 N -1.00 6.78 -0.08 3.54 1.01 -0.09 -5.00 116.67 121.83 1n60 s ASP 266 Ca 0.00 2.65 0.05 0.00 0.71 0.00 0.00 52.55 55.95 1n60 s ASP 266 Cb 0.00 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.29 1n60 s ASP 266 CO 0.00 -0.55 -0.24 -0.63 0.21 0.00 0.00 175.17 173.96 1n60 s ILE 267 N -0.85 2.05 -1.27 0.77 1.01 -1.26 -4.11 121.20 117.55 1n60 s ILE 267 Ca 0.51 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1n60 s ILE 267 Cb -0.40 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1n60 s ILE 267 CO 0.50 0.56 2.67 0.61 0.00 0.00 0.00 174.94 179.28 1n60 n GLY 268 N 3.30 4.72 0.00 6.18 0.00 -1.26 -4.40 105.19 113.73 1n60 n GLY 268 Ca -0.18 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1n60 n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n60 n GLY 269 N 2.27 -2.21 1.42 -0.02 0.00 -1.16 -2.31 105.19 103.17 1n60 n GLY 269 Ca 0.65 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1n60 n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n60 n GLY 270 N -0.90 -0.12 3.02 -0.02 0.00 -1.26 -4.70 105.19 101.21 1n60 n GLY 270 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1n60 n GLY 270 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n60 n PHE 271 N -3.36 -1.76 -0.31 1.61 3.72 -1.26 -0.90 117.46 115.20 1n60 n PHE 271 Ca 0.00 0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 1n60 n PHE 271 Cb 0.06 -3.68 0.00 0.00 -0.94 0.00 0.00 39.48 34.92 1n60 n PHE 271 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n60 n GLY 272 N -1.27 1.59 0.25 1.37 0.00 -1.26 -0.18 105.19 105.69 1n60 n GLY 272 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.08 1n60 n GLY 272 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1n60 h ASN 273 N 0.00 0.00 -0.10 1.61 -1.24 -1.36 -3.28 115.58 111.21 1n60 h ASN 273 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1n60 h ASN 273 Cb 0.00 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1n60 h ASN 273 CO 0.00 0.00 -0.23 0.29 -1.29 0.00 0.00 177.43 176.20 1n60 n LYS 274 N -3.03 1.68 -0.06 6.67 5.02 -1.26 -4.62 118.16 122.57 1n60 n LYS 274 Ca 0.02 -3.05 -0.07 0.00 -2.02 0.00 0.00 58.31 53.18 1n60 n LYS 274 Cb 0.36 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.65 1n60 n LYS 274 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1n60 h VAL 275 N 0.81 0.89 -3.67 -0.18 2.07 -1.87 -0.12 116.25 114.19 1n60 h VAL 275 Ca 0.05 -1.68 -0.46 0.00 0.82 0.00 0.00 66.70 65.44 1n60 h VAL 275 Cb 1.18 1.69 0.13 0.00 -1.52 0.00 0.00 31.29 32.77 1n60 h VAL 275 CO 0.10 0.30 0.33 -0.83 0.02 0.00 0.00 177.57 177.49 1n60 s GLY 276 N -3.91 1.74 0.19 2.17 0.00 -1.26 -4.57 107.32 101.69 1n60 s GLY 276 Ca -0.10 -1.20 -0.10 0.00 0.00 0.00 0.00 44.72 43.33 1n60 s GLY 276 CO 0.35 -0.56 0.52 0.00 0.00 0.00 0.00 173.10 173.40 1n60 s ALA 277 N -3.59 3.61 0.24 3.20 0.00 -1.26 -5.02 121.76 118.94 1n60 s ALA 277 Ca 0.69 -0.29 0.11 0.00 0.00 0.00 0.00 51.96 52.46 1n60 s ALA 277 Cb -0.06 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1n60 s ALA 277 CO 0.49 0.53 -0.18 0.71 0.00 0.00 0.00 175.76 177.31 1n60 s TYR 278 N -1.71 2.37 0.29 0.00 2.02 -1.26 -5.03 117.35 114.03 1n60 s TYR 278 Ca 0.44 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.87 1n60 s TYR 278 Cb -0.12 -1.09 0.75 0.00 -0.40 0.00 0.00 41.96 41.10 1n60 s TYR 278 CO 0.21 0.62 1.70 1.03 -1.57 0.00 0.00 175.55 177.53 1n60 h SER 279 N 2.61 0.37 -1.00 2.29 0.87 -1.90 -1.03 113.55 115.76 1n60 h SER 279 Ca -0.43 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.39 1n60 h SER 279 Cb 1.24 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 63.24 1n60 h SER 279 CO 0.55 0.00 0.64 1.23 -0.53 0.00 0.00 176.83 178.73 1n60 h GLY 280 N 0.41 1.60 0.90 5.77 0.00 -1.96 0.16 103.07 109.97 1n60 h GLY 280 Ca 0.57 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1n60 h GLY 280 CO -0.53 0.21 -0.00 -0.97 0.00 0.00 0.00 176.54 175.25 1n60 h TYR 281 N 1.04 0.63 -0.04 5.60 0.05 -1.60 -0.84 116.97 121.81 1n60 h TYR 281 Ca 0.48 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 59.15 1n60 h TYR 281 Cb 0.40 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 1n60 h TYR 281 CO -0.00 0.70 0.02 0.28 -1.05 0.00 0.00 178.16 178.10 1n60 h VAL 282 N 0.38 1.10 -0.79 -2.88 2.07 -1.17 -1.55 116.25 113.40 1n60 h VAL 282 Ca 0.09 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1n60 h VAL 282 Cb 0.45 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1n60 h VAL 282 CO 0.02 0.08 0.34 0.00 0.02 0.00 0.00 177.57 178.03 1n60 h ALA 284 N 1.22 0.99 -0.17 0.00 0.00 -1.01 0.44 119.26 120.73 1n60 h ALA 284 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1n60 h ALA 284 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n60 h ALA 284 CO -0.03 0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.79 1n60 h VAL 285 N 0.99 1.29 -0.57 0.00 2.07 -0.85 -0.45 116.25 118.73 1n60 h VAL 285 Ca 0.29 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1n60 h VAL 285 Cb -0.05 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1n60 h VAL 285 CO -0.09 0.30 0.31 0.58 0.02 0.00 0.00 177.57 178.69 1n60 h VAL 286 N 0.03 1.19 -0.71 2.57 2.07 -0.88 0.17 116.25 120.68 1n60 h VAL 286 Ca 0.04 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1n60 h VAL 286 Cb 0.48 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1n60 h VAL 286 CO 0.02 0.20 0.41 0.00 0.02 0.00 0.00 177.57 178.22 1n60 h ALA 287 N 1.14 0.90 -0.64 1.67 0.00 -0.82 0.51 119.26 122.03 1n60 h ALA 287 Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1n60 h ALA 287 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1n60 h ALA 287 CO -0.03 0.39 0.07 1.03 0.00 0.00 0.00 179.25 180.71 1n60 h SER 288 N 0.97 1.04 -0.74 0.00 0.87 -0.45 -0.01 113.55 115.23 1n60 h SER 288 Ca 0.25 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1n60 h SER 288 Cb 0.00 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.64 1n60 h SER 288 CO -0.04 1.06 0.48 0.40 -0.53 0.00 0.00 176.83 178.19 1n60 h ILE 289 N 0.99 1.14 -0.17 2.23 2.04 -0.39 0.25 117.51 123.60 1n60 h ILE 289 Ca 0.19 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1n60 h ILE 289 Cb 0.48 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1n60 h ILE 289 CO 0.02 0.17 -0.01 0.58 0.00 0.00 0.00 178.15 178.91 1n60 h VAL 290 N 0.95 1.26 0.00 1.67 2.07 -0.52 -3.31 116.25 118.36 1n60 h VAL 290 Ca 0.29 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1n60 h VAL 290 Cb -0.03 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1n60 h VAL 290 CO -0.09 0.26 -0.88 -0.07 0.02 0.00 0.00 177.57 176.81 1n60 h LEU 291 N 0.04 0.00 0.35 2.57 3.38 -0.92 -3.48 115.31 117.25 1n60 h LEU 291 Ca 0.05 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1n60 h LEU 291 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1n60 h LEU 291 CO 0.01 0.04 -0.14 0.61 0.09 0.00 0.00 178.44 179.05 1n60 n GLY 292 N 1.23 0.95 3.29 0.83 0.00 0.87 -5.01 105.19 107.35 1n60 n GLY 292 Ca 0.01 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 1n60 n GLY 292 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n60 s VAL 293 N -2.24 0.80 0.56 1.61 -7.23 -1.24 -4.68 120.40 107.97 1n60 s VAL 293 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.98 1n60 s VAL 293 Cb 0.00 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1n60 s VAL 293 CO 0.00 -0.35 1.11 -2.84 -0.31 0.00 0.00 175.10 172.71 1n60 s PRO 294 N -3.91 3.32 -0.08 4.82 0.02 -1.26 -4.42 135.00 133.48 1n60 s PRO 294 Ca 0.28 1.51 -0.01 0.00 0.02 0.00 0.00 61.00 62.79 1n60 s PRO 294 Cb 0.06 -2.01 0.03 0.00 0.02 0.00 0.00 34.50 32.60 1n60 s PRO 294 CO 0.07 -0.86 -0.02 0.08 -0.33 0.00 0.00 177.00 175.94 1n60 s VAL 295 N -1.95 0.58 -0.11 3.83 1.01 0.75 -0.52 120.40 124.00 1n60 s VAL 295 Ca 0.70 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 1n60 s VAL 295 Cb -0.22 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1n60 s VAL 295 CO 0.29 0.29 0.24 -0.75 0.00 0.00 0.00 175.10 175.18 1n60 s LYS 296 N 1.85 3.82 -0.10 2.72 2.20 0.21 -0.80 119.74 129.65 1n60 s LYS 296 Ca 0.04 0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.71 1n60 s LYS 296 Cb -0.12 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 1n60 s LYS 296 CO -0.06 0.59 -0.11 -0.46 -0.36 0.00 0.00 175.35 174.95 1n60 s TRP 297 N -0.57 1.57 -0.12 4.03 -0.00 0.08 -0.23 118.94 123.70 1n60 s TRP 297 Ca 0.17 -0.72 -0.01 0.00 -0.00 0.00 0.00 56.10 55.54 1n60 s TRP 297 Cb -0.13 -1.21 0.04 0.00 -0.00 0.00 0.00 33.47 32.16 1n60 s TRP 297 CO 0.06 -0.43 -0.02 0.08 -0.00 0.00 0.00 176.95 176.64 1n60 s VAL 298 N 1.23 0.67 0.48 5.86 1.01 -1.26 -0.93 120.40 127.46 1n60 s VAL 298 Ca -0.03 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1n60 s VAL 298 Cb -0.14 -0.87 -0.08 0.00 0.00 0.00 0.00 36.38 35.30 1n60 s VAL 298 CO -0.03 0.17 0.94 -1.83 0.00 0.00 0.00 175.10 174.35 1n60 s GLU 299 N 1.84 3.95 0.65 2.72 -1.05 -1.01 -5.03 118.70 120.76 1n60 s GLU 299 Ca 0.03 0.88 -0.07 0.00 -0.15 0.00 0.00 54.97 55.66 1n60 s GLU 299 Cb -0.14 -2.19 0.03 0.00 -0.44 0.00 0.00 34.13 31.39 1n60 s GLU 299 CO -0.07 -0.20 0.97 -0.51 0.95 0.00 0.00 175.26 176.41 1n60 s ASP 300 N -2.99 5.25 0.18 0.83 1.01 -1.26 -4.75 116.67 114.94 1n60 s ASP 300 Ca 0.58 0.67 -0.13 0.00 0.71 0.00 0.00 52.55 54.37 1n60 s ASP 300 Cb -0.10 -1.49 0.11 0.00 1.01 0.00 0.00 42.92 42.45 1n60 s ASP 300 CO 0.29 -1.32 1.84 -0.09 0.21 0.00 0.00 175.17 176.10 1n60 h ARG 301 N -0.41 0.71 -0.88 8.23 9.65 -1.97 -0.69 114.38 129.02 1n60 h ARG 301 Ca -0.45 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.42 1n60 h ARG 301 Cb 1.28 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 1n60 h ARG 301 CO 0.61 0.47 0.57 0.52 2.80 0.00 0.00 179.97 184.94 1n60 h MET 302 N 0.73 1.07 -0.32 0.20 2.86 -1.95 -0.50 114.93 117.03 1n60 h MET 302 Ca 0.22 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.66 1n60 h MET 302 Cb -0.03 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1n60 h MET 302 CO -0.07 0.71 -0.36 0.93 1.06 0.00 0.00 176.91 179.17 1n60 h GLU 303 N 1.11 0.73 -0.17 1.72 3.07 -1.76 -2.29 114.58 116.99 1n60 h GLU 303 Ca 0.35 -0.36 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1n60 h GLU 303 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1n60 h GLU 303 CO -0.12 0.98 0.06 -0.97 -1.40 0.00 0.00 179.01 177.56 1n60 h ASN 304 N 0.61 0.06 0.78 1.42 -1.24 -0.01 -0.43 115.58 116.78 1n60 h ASN 304 Ca 0.06 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 1n60 h ASN 304 Cb 0.90 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.95 1n60 h ASN 304 CO 0.08 0.06 -0.40 -0.07 -1.29 0.00 0.00 177.43 175.81 1n60 h LEU 305 N 0.14 0.00 -0.38 0.34 3.38 -1.02 -2.86 115.31 114.91 1n60 h LEU 305 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1n60 h LEU 305 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1n60 h LEU 305 CO -0.07 0.40 -0.67 -1.54 0.09 0.00 0.00 178.44 176.64 1n60 n SER 306 N -3.59 1.25 0.00 -0.43 3.41 -0.87 -4.62 113.62 108.76 1n60 n SER 306 Ca -0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1n60 n SER 306 Cb 0.51 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1n60 n SER 306 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1n60 n THR 307 N -0.88 0.00 -3.76 6.66 -2.24 -0.19 -4.51 114.28 109.35 1n60 n THR 307 Ca 0.05 -0.12 -0.24 0.00 -2.27 0.00 0.00 64.05 61.47 1n60 n THR 307 Cb 0.33 1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.95 1n60 n THR 307 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n60 s THR 308 N -0.11 1.99 -0.32 4.28 -4.23 -1.08 -4.74 115.64 111.42 1n60 s THR 308 Ca 0.00 -1.43 -0.38 0.00 -1.18 0.00 0.00 61.69 58.70 1n60 s THR 308 Cb 0.00 -2.42 -0.13 0.00 1.34 0.00 0.00 72.50 71.29 1n60 s THR 308 CO 0.00 0.00 2.02 -1.54 -0.54 0.00 0.00 174.62 174.56 1n60 n SER 309 N -1.71 2.18 -4.72 3.99 3.41 -1.25 -4.79 113.62 110.74 1n60 n SER 309 Ca 0.01 0.69 -0.29 0.00 -0.26 0.00 0.00 58.87 59.02 1n60 n SER 309 Cb 0.63 -1.20 0.13 0.00 -0.26 0.00 0.00 64.21 63.52 1n60 n SER 309 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1n60 s PHE 310 N 5.78 2.45 0.10 7.33 -0.12 -1.05 -4.37 117.98 128.09 1n60 s PHE 310 Ca 1.06 0.77 0.07 0.00 -0.05 0.00 0.00 56.93 58.78 1n60 s PHE 310 Cb -0.97 -3.48 -0.03 0.00 -0.63 0.00 0.00 43.02 37.91 1n60 s PHE 310 CO 0.56 -2.32 -0.19 0.00 -0.05 0.00 0.00 175.22 173.22 1n60 s ALA 311 N -3.39 1.66 0.00 1.99 0.00 -0.16 -0.32 121.76 121.55 1n60 s ALA 311 Ca 0.65 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1n60 s ALA 311 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1n60 s ALA 311 CO 0.52 0.30 0.00 0.54 0.00 0.00 0.00 175.76 177.13 1n60 n ARG 312 N 1.08 0.00 -3.04 0.00 5.12 -0.84 -1.16 116.66 117.82 1n60 n ARG 312 Ca -0.19 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.60 1n60 n ARG 312 Cb 0.54 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.90 1n60 n ARG 312 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1n60 n ASP 313 N 6.14 -2.64 -4.46 0.55 -0.08 0.13 -4.76 116.55 111.43 1n60 n ASP 313 Ca 0.00 -0.42 -0.33 0.00 -1.51 0.00 0.00 54.79 52.53 1n60 n ASP 313 Cb 0.00 -3.69 -0.13 0.00 2.34 0.00 0.00 41.12 39.64 1n60 n ASP 313 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1n60 s TYR 314 N -3.24 2.88 -0.37 -0.67 1.51 -0.89 -1.66 117.35 114.90 1n60 s TYR 314 Ca 0.08 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.75 1n60 s TYR 314 Cb -0.04 -1.82 0.09 0.00 -0.11 0.00 0.00 41.96 40.08 1n60 s TYR 314 CO 0.51 -0.01 0.14 -1.01 -1.11 0.00 0.00 175.55 174.07 1n60 s HIS 315 N -0.01 3.48 -0.38 2.71 3.76 0.01 -0.48 115.29 124.38 1n60 s HIS 315 Ca -0.02 -2.20 -0.05 0.00 -0.15 0.00 0.00 55.06 52.64 1n60 s HIS 315 Cb -0.14 -2.86 0.08 0.00 1.11 0.00 0.00 32.58 30.77 1n60 s HIS 315 CO 0.03 -0.91 0.17 -1.64 -0.85 0.00 0.00 174.74 171.55 1n60 s MET 316 N 1.19 2.33 -0.53 1.40 1.00 0.49 -0.89 119.30 124.29 1n60 s MET 316 Ca 0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 55.69 53.93 1n60 s MET 316 Cb -0.22 -3.55 0.03 0.00 0.00 0.00 0.00 34.83 31.10 1n60 s MET 316 CO -0.03 -0.91 1.01 0.99 0.00 0.00 0.00 175.02 176.09 1n60 s THR 317 N 1.27 4.30 -0.10 2.05 2.01 0.11 -0.52 115.64 124.76 1n60 s THR 317 Ca 0.03 0.62 0.04 0.00 0.31 0.00 0.00 61.69 62.68 1n60 s THR 317 Cb -0.22 -4.57 0.00 0.00 0.01 0.00 0.00 72.50 67.73 1n60 s THR 317 CO -0.01 -1.10 -0.23 -0.89 -0.69 0.00 0.00 174.62 171.70 1n60 s THR 318 N 4.19 1.99 0.00 -0.82 2.01 0.23 -0.88 115.64 122.37 1n60 s THR 318 Ca 0.36 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1n60 s THR 318 Cb -0.10 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.67 1n60 s THR 318 CO 0.23 0.54 -0.07 -1.61 -0.69 0.00 0.00 174.62 173.03 1n60 s GLU 319 N 0.40 0.56 -0.03 4.92 2.02 0.41 -1.47 118.70 125.51 1n60 s GLU 319 Ca -0.18 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 54.55 1n60 s GLU 319 Cb -0.18 -0.52 -0.01 0.00 0.10 0.00 0.00 34.13 33.52 1n60 s GLU 319 CO 0.08 0.14 -0.22 -0.51 0.02 0.00 0.00 175.26 174.76 1n60 s LEU 320 N -0.38 2.03 -0.10 1.80 1.43 -0.04 -1.15 118.68 122.27 1n60 s LEU 320 Ca 0.01 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1n60 s LEU 320 Cb -0.04 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1n60 s LEU 320 CO -0.00 0.25 0.03 0.00 0.23 0.00 0.00 176.35 176.86 1n60 s ALA 321 N -0.37 3.39 0.22 4.21 0.00 -0.34 -0.56 121.76 128.31 1n60 s ALA 321 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 51.96 51.12 1n60 s ALA 321 Cb -0.10 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 1n60 s ALA 321 CO 0.01 0.55 0.40 0.00 0.00 0.00 0.00 175.76 176.71 1n60 s ALA 322 N -0.76 -0.06 0.48 0.00 0.00 -0.08 0.27 121.76 121.61 1n60 s ALA 322 Ca 0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1n60 s ALA 322 Cb -0.12 1.06 -0.02 0.00 0.00 0.00 0.00 23.12 24.04 1n60 s ALA 322 CO 0.02 -0.78 0.75 0.95 0.00 0.00 0.00 175.76 176.71 1n60 s THR 323 N -4.02 4.54 0.55 0.00 -4.23 -0.27 -1.27 115.64 110.94 1n60 s THR 323 Ca 0.23 -0.07 0.26 0.00 -1.18 0.00 0.00 61.69 60.93 1n60 s THR 323 Cb 0.01 -3.72 0.32 0.00 1.34 0.00 0.00 72.50 70.46 1n60 s THR 323 CO 0.07 -0.64 2.20 0.11 -0.54 0.00 0.00 174.62 175.82 1n60 h LYS 324 N 0.26 0.00 -0.01 3.99 1.57 -1.91 0.25 116.57 120.72 1n60 h LYS 324 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1n60 h LYS 324 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1n60 h LYS 324 CO 0.61 0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 179.26 1n60 n ASP 325 N -3.99 0.26 0.00 0.86 8.00 -1.26 -4.92 116.55 115.50 1n60 n ASP 325 Ca -0.03 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1n60 n ASP 325 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1n60 n ASP 325 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n60 n GLY 326 N 1.00 0.81 3.71 0.44 0.00 0.08 -5.06 105.19 106.17 1n60 n GLY 326 Ca 0.22 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1n60 n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n60 s LYS 327 N -0.66 4.44 -0.02 1.61 -0.14 -1.26 -4.82 119.74 118.89 1n60 s LYS 327 Ca 0.00 0.96 -0.28 0.00 -1.36 0.00 0.00 55.97 55.29 1n60 s LYS 327 Cb 0.00 -3.46 -0.03 0.00 -1.68 0.00 0.00 37.83 32.66 1n60 s LYS 327 CO 0.00 0.02 0.89 0.42 -0.76 0.00 0.00 175.35 175.92 1n60 s ILE 328 N 0.94 4.93 -0.07 2.17 1.01 -1.26 -1.11 121.20 127.80 1n60 s ILE 328 Ca 0.39 1.86 0.15 0.00 0.00 0.00 0.00 60.65 63.05 1n60 s ILE 328 Cb -0.18 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.83 1n60 s ILE 328 CO 0.19 0.19 0.24 0.18 0.00 0.00 0.00 174.94 175.74 1n60 n LEU 329 N 3.88 0.00 -3.59 2.97 4.77 0.14 -4.57 117.00 120.61 1n60 n LEU 329 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 1n60 n LEU 329 Cb 0.51 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.72 1n60 n LEU 329 CO 0.50 0.14 0.99 0.00 -1.33 0.00 0.00 177.39 177.70 1n60 s ALA 330 N -2.84 -2.06 -0.02 -1.18 0.00 -1.17 -3.99 121.76 110.50 1n60 s ALA 330 Ca -0.07 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1n60 s ALA 330 Cb 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1n60 s ALA 330 CO 0.66 -0.59 -0.15 1.41 0.00 0.00 0.00 175.76 177.09 1n60 s MET 331 N -2.42 1.27 -0.06 0.00 1.75 -1.15 -1.20 119.30 117.49 1n60 s MET 331 Ca 0.09 -0.53 0.01 0.00 -1.25 0.00 0.00 55.69 54.01 1n60 s MET 331 Cb -0.01 -1.20 0.02 0.00 2.84 0.00 0.00 34.83 36.48 1n60 s MET 331 CO -0.05 0.30 -0.06 0.50 -0.65 0.00 0.00 175.02 175.06 1n60 s ARG 332 N -0.26 1.14 -0.02 4.11 3.52 -0.30 -1.43 118.95 125.71 1n60 s ARG 332 Ca 0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1n60 s ARG 332 Cb -0.07 -1.11 0.02 0.00 -1.56 0.00 0.00 34.95 32.23 1n60 s ARG 332 CO -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 175.30 174.39 1n60 s HIS 334 N 0.80 2.52 -0.12 0.00 5.04 -0.06 -1.13 115.29 122.35 1n60 s HIS 334 Ca -0.08 -0.74 0.01 0.00 -1.54 0.00 0.00 55.06 52.71 1n60 s HIS 334 Cb -0.11 -1.65 -0.01 0.00 0.04 0.00 0.00 32.58 30.85 1n60 s HIS 334 CO -0.02 -0.23 -0.16 0.08 -2.34 0.00 0.00 174.74 172.07 1n60 s VAL 335 N -0.04 2.80 -0.34 0.89 1.01 0.27 0.04 120.40 125.03 1n60 s VAL 335 Ca -0.07 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1n60 s VAL 335 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1n60 s VAL 335 CO 0.05 0.53 0.23 -0.22 0.00 0.00 0.00 175.10 175.69 1n60 s LEU 336 N 0.32 4.49 -0.21 3.92 2.96 -0.07 -0.74 118.68 129.35 1n60 s LEU 336 Ca -0.13 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1n60 s LEU 336 Cb -0.16 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n60 s LEU 336 CO 0.06 -0.24 0.02 0.00 -1.32 0.00 0.00 176.35 174.88 1n60 s ALA 337 N 1.71 3.09 -0.43 5.97 0.00 0.44 -0.81 121.76 131.73 1n60 s ALA 337 Ca 0.06 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 1n60 s ALA 337 Cb -0.17 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1n60 s ALA 337 CO 0.10 -0.21 0.50 0.34 0.00 0.00 0.00 175.76 176.49 1n60 s ASP 338 N 1.11 6.23 0.00 0.00 -1.08 -0.66 -0.96 116.67 121.30 1n60 s ASP 338 Ca 0.03 -0.59 0.25 0.00 -0.52 0.00 0.00 52.55 51.73 1n60 s ASP 338 Cb -0.14 -2.25 0.49 0.00 -1.46 0.00 0.00 42.92 39.55 1n60 s ASP 338 CO 0.02 -0.65 1.43 1.41 0.52 0.00 0.00 175.17 177.90 1n60 n HIS 339 N 5.81 0.00 -4.32 -5.34 8.25 -0.47 -4.84 115.22 114.32 1n60 n HIS 339 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1n60 n HIS 339 Cb 0.47 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1n60 n HIS 339 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n60 n GLY 340 N 1.29 -0.61 0.13 -1.41 0.00 -1.26 -4.14 105.19 99.20 1n60 n GLY 340 Ca 0.16 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 45.08 1n60 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 h ALA 341 N -0.32 0.68 -4.01 4.61 0.00 0.44 -2.09 119.26 118.57 1n60 h ALA 341 Ca 0.00 -0.49 -0.41 0.00 0.00 0.00 0.00 54.91 54.01 1n60 h ALA 341 Cb 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.51 1n60 h ALA 341 CO 0.00 0.62 -0.78 -0.06 0.00 0.00 0.00 179.25 179.02 1n60 s PHE 342 N -2.99 0.90 -0.69 0.00 0.08 -1.26 -4.83 117.98 109.19 1n60 s PHE 342 Ca 0.02 -0.18 -0.27 0.00 0.12 0.00 0.00 56.93 56.62 1n60 s PHE 342 Cb 0.08 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 1n60 s PHE 342 CO 0.76 -0.03 1.26 0.34 -0.10 0.00 0.00 175.22 177.44 1n60 s ASP 343 N -0.14 6.25 -0.19 1.36 2.15 -1.26 -4.57 116.67 120.26 1n60 s ASP 343 Ca 0.02 -0.27 0.14 0.00 0.43 0.00 0.00 52.55 52.88 1n60 s ASP 343 Cb -0.05 -2.56 0.42 0.00 -0.30 0.00 0.00 42.92 40.43 1n60 s ASP 343 CO -0.00 -1.73 1.29 0.00 -0.17 0.00 0.00 175.17 174.56 1n60 n ALA 344 N 9.10 3.19 -2.16 3.66 0.00 -1.26 -4.07 120.51 128.98 1n60 n ALA 344 Ca 0.05 -2.85 -0.43 0.00 0.00 0.00 0.00 53.44 50.21 1n60 n ALA 344 Cb 0.49 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 1n60 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n60 s ALA 346 N 4.49 3.23 0.00 0.00 0.00 -1.26 -3.62 121.76 124.59 1n60 s ALA 346 Ca 0.68 1.37 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1n60 s ALA 346 Cb -0.26 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1n60 s ALA 346 CO 0.26 -1.06 0.00 -0.25 0.00 0.00 0.00 175.76 174.71 1n60 n ASP 347 N -0.11 0.00 -4.64 0.00 8.00 -1.26 -4.61 116.55 113.93 1n60 n ASP 347 Ca 0.05 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.15 1n60 n ASP 347 Cb 0.43 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.55 1n60 n ASP 347 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1n60 n PRO 348 N -0.17 1.41 0.28 -0.24 -0.02 -1.26 -4.81 135.00 130.19 1n60 n PRO 348 Ca 0.00 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.15 1n60 n PRO 348 Cb 0.00 -2.18 0.83 0.00 -0.02 0.00 0.00 33.50 32.13 1n60 n PRO 348 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n60 h SER 349 N 1.43 0.00 -0.15 2.55 4.64 -1.14 -1.62 113.55 119.26 1n60 h SER 349 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1n60 h SER 349 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1n60 h SER 349 CO 0.56 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.88 1n60 n LYS 350 N -3.47 1.82 -3.59 4.77 5.02 -1.26 -4.63 118.16 116.82 1n60 n LYS 350 Ca -0.02 -1.22 -0.27 0.00 -2.02 0.00 0.00 58.31 54.78 1n60 n LYS 350 Cb 0.20 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1n60 n LYS 350 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1n60 n TRP 351 N 0.45 1.41 0.50 2.13 7.02 -0.61 -4.95 117.44 123.39 1n60 n TRP 351 Ca 0.17 -3.85 0.09 0.00 -1.02 0.00 0.00 57.50 52.89 1n60 n TRP 351 Cb 0.37 -0.27 0.40 0.00 -2.42 0.00 0.00 31.31 29.40 1n60 n TRP 351 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1n60 n PRO 352 N 2.08 0.08 -0.59 -0.99 -0.04 -1.26 -0.90 135.00 133.38 1n60 n PRO 352 Ca 0.25 0.30 0.04 0.00 -0.04 0.00 0.00 63.50 64.05 1n60 n PRO 352 Cb 0.42 -1.65 0.20 0.00 -0.04 0.00 0.00 33.50 32.43 1n60 n PRO 352 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n60 n ALA 353 N -1.61 3.67 -0.59 0.55 0.00 -1.26 -5.05 120.51 116.21 1n60 n ALA 353 Ca 0.03 -3.16 0.00 0.00 0.00 0.00 0.00 53.44 50.31 1n60 n ALA 353 Cb 0.21 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1n60 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n60 n GLY 354 N -1.14 1.90 2.27 0.00 0.00 -0.08 -1.94 105.19 106.20 1n60 n GLY 354 Ca 0.23 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1n60 n GLY 354 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n60 n PHE 355 N 9.93 3.08 0.19 1.61 3.72 0.11 -4.60 117.46 131.51 1n60 n PHE 355 Ca 0.00 -2.66 0.18 0.00 -0.05 0.00 0.00 57.45 54.92 1n60 n PHE 355 Cb 0.00 -1.29 0.82 0.00 -0.94 0.00 0.00 39.48 38.07 1n60 n PHE 355 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1n60 h MET 356 N 1.70 0.00 -0.17 -1.08 1.85 -1.48 -1.20 114.93 114.55 1n60 h MET 356 Ca 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.69 1n60 h MET 356 Cb 1.35 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.38 1n60 h MET 356 CO 1.42 0.00 0.00 0.27 -0.40 0.00 0.00 176.91 178.20 1n60 n ASN 357 N -3.71 0.17 -1.08 1.39 6.94 -1.26 -1.88 115.26 115.82 1n60 n ASN 357 Ca 0.02 -1.11 0.06 0.00 -0.02 0.00 0.00 54.58 53.54 1n60 n ASN 357 Cb 0.38 -0.08 0.23 0.00 -2.36 0.00 0.00 39.78 37.95 1n60 n ASN 357 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n60 n ILE 358 N -0.28 1.09 0.74 1.53 0.13 -0.45 -4.57 119.36 117.54 1n60 n ILE 358 Ca 0.00 -0.73 0.08 0.00 -1.10 0.00 0.00 62.75 61.00 1n60 n ILE 358 Cb 0.04 0.03 0.41 0.00 -0.84 0.00 0.00 39.64 39.28 1n60 n ILE 358 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1n60 n THR 360 N -1.35 0.53 -4.64 0.00 -2.24 -1.26 -4.30 114.28 101.02 1n60 n THR 360 Ca 0.07 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1n60 n THR 360 Cb 0.15 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 1n60 n THR 360 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n60 n GLY 361 N 0.74 1.50 0.83 3.38 0.00 -0.41 -3.27 105.19 107.97 1n60 n GLY 361 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1n60 n GLY 361 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n60 n SER 362 N 0.78 2.38 -4.52 1.61 7.64 -1.26 -4.83 113.62 115.42 1n60 n SER 362 Ca 0.00 -2.12 -0.32 0.00 1.01 0.00 0.00 58.87 57.44 1n60 n SER 362 Cb 0.00 -0.34 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 1n60 n SER 362 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1n60 s TYR 363 N -1.60 2.74 -0.54 1.43 2.02 -1.20 -1.34 117.35 118.85 1n60 s TYR 363 Ca 0.26 -0.14 -0.23 0.00 -0.37 0.00 0.00 57.07 56.59 1n60 s TYR 363 Cb 0.15 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 40.19 1n60 s TYR 363 CO 0.15 0.29 0.87 0.34 -1.57 0.00 0.00 175.55 175.63 1n60 s ASP 364 N -1.26 6.31 0.06 2.29 2.15 0.13 -4.72 116.67 121.63 1n60 s ASP 364 Ca 0.15 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.68 1n60 s ASP 364 Cb -0.11 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1n60 s ASP 364 CO 0.05 -1.16 -0.14 -0.04 -0.17 0.00 0.00 175.17 173.71 1n60 s MET 365 N 3.67 0.84 0.36 4.34 -1.94 -1.26 -4.83 119.30 120.48 1n60 s MET 365 Ca 0.27 -0.90 0.17 0.00 -1.71 0.00 0.00 55.69 53.52 1n60 s MET 365 Cb -0.14 -0.84 0.64 0.00 2.01 0.00 0.00 34.83 36.50 1n60 s MET 365 CO 0.17 0.19 1.73 -1.35 -0.01 0.00 0.00 175.02 175.75 1n60 h PRO 366 N 4.47 0.00 -2.10 2.03 0.11 -1.81 -3.41 132.00 131.29 1n60 h PRO 366 Ca -0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1n60 h PRO 366 Cb 1.19 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 1n60 h PRO 366 CO 0.41 0.42 0.17 0.54 -0.21 0.00 0.00 178.00 179.33 1n60 s VAL 367 N -3.68 0.00 0.27 3.15 0.11 -1.26 -4.87 120.40 114.12 1n60 s VAL 367 Ca -0.01 -0.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1n60 s VAL 367 Cb 0.12 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1n60 s VAL 367 CO 0.70 -0.01 0.70 0.00 -3.33 0.00 0.00 175.10 173.16 1n60 s ALA 368 N -1.36 -1.24 -0.17 1.54 0.00 -1.26 -2.91 121.76 116.36 1n60 s ALA 368 Ca -0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 1n60 s ALA 368 Cb -0.00 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.02 1n60 s ALA 368 CO 0.08 -1.00 0.43 -1.58 0.00 0.00 0.00 175.76 173.69 1n60 s HIS 369 N -3.90 -0.51 -0.03 0.00 2.46 -0.51 -1.53 115.29 111.26 1n60 s HIS 369 Ca 0.10 1.20 0.04 0.00 0.47 0.00 0.00 55.06 56.87 1n60 s HIS 369 Cb -0.05 0.19 -0.00 0.00 -0.13 0.00 0.00 32.58 32.58 1n60 s HIS 369 CO 0.05 -0.26 -0.15 -1.17 -2.47 0.00 0.00 174.74 170.74 1n60 s LEU 370 N 0.50 1.91 0.00 8.88 2.96 -0.16 -1.11 118.68 131.66 1n60 s LEU 370 Ca -0.02 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1n60 s LEU 370 Cb -0.04 -0.87 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 1n60 s LEU 370 CO -0.03 0.15 -0.07 0.00 -1.32 0.00 0.00 176.35 175.08 1n60 s ALA 371 N -0.01 0.53 -0.03 5.97 0.00 -0.28 -1.31 121.76 126.63 1n60 s ALA 371 Ca -0.02 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1n60 s ALA 371 Cb -0.10 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1n60 s ALA 371 CO 0.01 0.11 -0.05 0.08 0.00 0.00 0.00 175.76 175.91 1n60 s VAL 372 N -0.31 0.52 -0.15 0.00 1.01 0.49 -0.56 120.40 121.41 1n60 s VAL 372 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1n60 s VAL 372 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1n60 s VAL 372 CO -0.00 0.20 -0.14 -1.81 0.00 0.00 0.00 175.10 173.35 1n60 s ASP 373 N 0.63 3.78 -0.04 3.32 1.01 0.08 -0.98 116.67 124.47 1n60 s ASP 373 Ca -0.08 -0.42 -0.10 0.00 0.71 0.00 0.00 52.55 52.66 1n60 s ASP 373 Cb -0.12 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 1n60 s ASP 373 CO 0.00 0.11 0.28 -0.83 0.21 0.00 0.00 175.17 174.94 1n60 s GLY 374 N 0.67 2.31 0.09 0.21 0.00 -0.32 -0.42 107.32 109.85 1n60 s GLY 374 Ca -0.07 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.24 1n60 s GLY 374 CO 0.02 -0.18 -0.13 -1.34 0.00 0.00 0.00 173.10 171.48 1n60 s VAL 375 N -1.12 1.09 0.16 1.40 -7.23 -0.14 -0.05 120.40 114.51 1n60 s VAL 375 Ca 0.21 -1.46 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 1n60 s VAL 375 Cb -0.14 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.51 1n60 s VAL 375 CO 0.10 -0.35 0.69 -0.31 -0.31 0.00 0.00 175.10 174.92 1n60 s TYR 376 N -1.73 3.76 0.21 2.82 2.02 -0.13 -1.36 117.35 122.94 1n60 s TYR 376 Ca 0.02 1.41 -0.04 0.00 -0.37 0.00 0.00 57.07 58.09 1n60 s TYR 376 Cb -0.07 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 1n60 s TYR 376 CO 0.02 0.46 0.20 0.95 -1.57 0.00 0.00 175.55 175.61 1n60 s THR 377 N -1.30 0.01 -1.44 -0.71 -4.23 -0.78 -4.91 115.64 102.26 1n60 s THR 377 Ca 0.37 -1.86 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 1n60 s THR 377 Cb -0.19 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1n60 s THR 377 CO 0.22 -0.03 2.35 0.59 -0.54 0.00 0.00 174.62 177.21 1n60 n ASN 378 N -0.28 5.84 -3.97 3.99 5.03 0.18 -1.17 115.26 124.87 1n60 n ASN 378 Ca 0.01 -2.87 -0.09 0.00 0.87 0.00 0.00 54.58 52.50 1n60 n ASN 378 Cb 0.65 -1.56 -0.08 0.00 -1.02 0.00 0.00 39.78 37.77 1n60 n ASN 378 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1n60 s LYS 379 N 1.80 0.94 0.82 3.52 1.02 -1.23 -4.58 119.74 122.03 1n60 s LYS 379 Ca 0.52 -1.14 -0.13 0.00 0.02 0.00 0.00 55.97 55.23 1n60 s LYS 379 Cb 0.15 0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.85 1n60 s LYS 379 CO -0.06 -0.30 1.06 0.00 -0.92 0.00 0.00 175.35 175.12 1n60 n ALA 380 N -0.10 -0.49 -1.96 5.17 0.00 -1.26 -1.03 120.51 120.83 1n60 n ALA 380 Ca -0.11 -0.37 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 1n60 n ALA 380 Cb 0.63 -2.16 0.07 0.00 0.00 0.00 0.00 19.45 17.98 1n60 n ALA 380 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n60 s SER 381 N -2.09 4.84 0.00 0.00 1.04 -1.26 -4.13 113.70 112.10 1n60 s SER 381 Ca 0.70 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1n60 s SER 381 Cb -0.28 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.09 1n60 s SER 381 CO 0.54 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1n60 n GLY 382 N -2.70 0.47 0.00 7.32 0.00 -1.26 -2.53 105.19 106.50 1n60 n GLY 382 Ca 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1n60 n GLY 382 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n60 n GLY 383 N 0.00 2.87 3.55 -0.02 0.00 0.57 -3.72 105.19 108.44 1n60 n GLY 383 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1n60 n GLY 383 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n60 s VAL 384 N 0.00 4.88 0.00 1.61 1.01 -1.26 -1.98 120.40 124.66 1n60 s VAL 384 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1n60 s VAL 384 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1n60 s VAL 384 CO 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 175.10 174.70 1n60 n ALA 385 N 6.09 0.00 -3.11 5.51 0.00 -1.26 -4.48 120.51 123.26 1n60 n ALA 385 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1n60 n ALA 385 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 1n60 n ALA 385 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1n60 n TYR 386 N -0.05 -1.78 -3.12 0.00 9.36 0.75 -3.23 117.16 119.08 1n60 n TYR 386 Ca 0.00 0.74 -0.19 0.00 3.32 0.00 0.00 57.90 61.78 1n60 n TYR 386 Cb 0.00 -4.37 0.05 0.00 -0.63 0.00 0.00 39.34 34.39 1n60 n TYR 386 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1n60 n ARG 387 N -3.41 -5.18 0.11 2.98 1.74 -1.26 -4.92 116.66 106.72 1n60 n ARG 387 Ca -0.20 0.70 0.12 0.00 -0.77 0.00 0.00 57.85 57.69 1n60 n ARG 387 Cb 0.63 -5.22 0.06 0.00 -1.02 0.00 0.00 32.46 26.91 1n60 n ARG 387 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n60 n SER 389 N -2.60 -5.50 -2.06 0.00 7.64 -1.26 -0.13 113.62 109.71 1n60 n SER 389 Ca 0.01 0.12 -0.03 0.00 1.01 0.00 0.00 58.87 59.99 1n60 n SER 389 Cb 0.52 -4.59 0.01 0.00 -1.01 0.00 0.00 64.21 59.15 1n60 n SER 389 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1n60 n PHE 390 N -3.56 -0.89 -1.05 1.43 3.72 -1.26 -4.26 117.46 111.58 1n60 n PHE 390 Ca -0.22 0.32 -0.02 0.00 -0.05 0.00 0.00 57.45 57.48 1n60 n PHE 390 Cb 0.66 -2.78 -0.01 0.00 -0.94 0.00 0.00 39.48 36.41 1n60 n PHE 390 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1n60 n ARG 391 N -1.76 -0.71 0.08 -1.08 5.12 -1.06 0.08 116.66 117.33 1n60 n ARG 391 Ca -0.01 0.32 -0.05 0.00 -1.93 0.00 0.00 57.85 56.18 1n60 n ARG 391 Cb 0.52 -3.95 0.14 0.00 -1.16 0.00 0.00 32.46 28.01 1n60 n ARG 391 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1n60 h VAL 392 N 0.00 1.37 -0.46 1.55 2.07 -0.71 -1.58 116.25 118.49 1n60 h VAL 392 Ca -0.04 -1.87 0.09 0.00 0.82 0.00 0.00 66.70 65.71 1n60 h VAL 392 Cb 0.41 1.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 1n60 h VAL 392 CO 0.05 0.55 -0.08 0.71 0.02 0.00 0.00 177.57 178.83 1n60 h THR 393 N 0.20 0.57 -0.44 2.57 1.35 -1.73 0.19 112.91 115.62 1n60 h THR 393 Ca 0.00 -0.01 -0.07 0.00 -0.55 0.00 0.00 66.41 65.78 1n60 h THR 393 Cb 1.04 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1n60 h THR 393 CO 0.09 0.01 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.02 1n60 h GLU 394 N 0.03 0.78 -0.23 4.72 3.07 -1.80 -0.74 114.58 120.41 1n60 h GLU 394 Ca 0.23 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1n60 h GLU 394 Cb 0.34 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1n60 h GLU 394 CO -0.45 0.85 0.08 0.00 -1.40 0.00 0.00 179.01 178.09 1n60 h ALA 395 N 0.90 0.26 -0.47 3.43 0.00 -0.85 -0.26 119.26 122.27 1n60 h ALA 395 Ca 0.12 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1n60 h ALA 395 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1n60 h ALA 395 CO 0.03 -0.34 -0.22 0.28 0.00 0.00 0.00 179.25 179.00 1n60 h VAL 396 N 0.19 1.27 -0.63 0.00 2.07 -0.92 -1.95 116.25 116.28 1n60 h VAL 396 Ca 0.10 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1n60 h VAL 396 Cb 0.06 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1n60 h VAL 396 CO -0.10 0.47 0.30 0.22 0.02 0.00 0.00 177.57 178.48 1n60 h TYR 397 N 0.82 0.91 0.12 1.57 3.20 -0.92 0.14 116.97 122.81 1n60 h TYR 397 Ca 0.11 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1n60 h TYR 397 Cb 0.79 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1n60 h TYR 397 CO 0.05 0.69 -0.13 0.00 -1.64 0.00 0.00 178.16 177.12 1n60 h ALA 398 N 1.13 -0.25 -0.19 1.82 0.00 -0.79 -0.70 119.26 120.28 1n60 h ALA 398 Ca 0.22 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1n60 h ALA 398 Cb 0.12 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1n60 h ALA 398 CO -0.03 -0.66 -0.68 0.97 0.00 0.00 0.00 179.25 178.86 1n60 h ILE 399 N -0.28 1.30 -0.10 0.00 6.09 -1.23 -0.68 117.51 122.60 1n60 h ILE 399 Ca 0.01 -1.90 -0.14 0.00 -1.37 0.00 0.00 64.86 61.45 1n60 h ILE 399 Cb 0.28 1.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 1n60 h ILE 399 CO -0.04 0.60 -0.57 -0.33 -3.07 0.00 0.00 178.15 174.74 1n60 h GLU 400 N 0.53 0.30 -0.37 2.19 4.39 -0.93 0.19 114.58 120.89 1n60 h GLU 400 Ca -0.02 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1n60 h GLU 400 Cb 1.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1n60 h GLU 400 CO 0.14 0.79 -0.10 0.00 -1.16 0.00 0.00 179.01 178.68 1n60 h ARG 401 N 0.23 0.72 -0.37 2.33 2.47 -1.16 -3.04 114.38 115.55 1n60 h ARG 401 Ca -0.00 -0.28 -0.05 0.00 -1.26 0.00 0.00 59.98 58.39 1n60 h ARG 401 Cb 1.08 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 1n60 h ARG 401 CO 0.09 0.87 0.00 0.00 0.56 0.00 0.00 179.97 181.50 1n60 h ALA 402 N 0.82 1.32 -0.70 0.04 0.00 -0.62 -0.57 119.26 119.56 1n60 h ALA 402 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1n60 h ALA 402 Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1n60 h ALA 402 CO 0.04 0.47 0.43 0.82 0.00 0.00 0.00 179.25 181.01 1n60 h ILE 403 N 0.55 1.19 -0.36 0.00 1.08 -0.66 0.04 117.51 119.36 1n60 h ILE 403 Ca 0.12 -0.41 -0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1n60 h ILE 403 Cb 0.35 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1n60 h ILE 403 CO 0.01 0.20 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.33 1n60 h GLU 404 N 0.95 0.63 -0.06 2.37 4.39 -1.18 -0.42 114.58 121.27 1n60 h GLU 404 Ca 0.25 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1n60 h GLU 404 Cb -0.05 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1n60 h GLU 404 CO -0.05 0.75 -0.53 1.79 -1.16 0.00 0.00 179.01 179.81 1n60 h THR 405 N 0.44 1.37 -0.24 1.13 1.35 -0.92 -1.21 112.91 114.83 1n60 h THR 405 Ca 0.10 -1.81 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 1n60 h THR 405 Cb 0.46 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1n60 h THR 405 CO 0.02 0.53 -0.02 0.25 -0.25 0.00 0.00 175.52 176.04 1n60 h LEU 406 N 0.12 0.43 -0.75 3.87 5.85 -0.87 -2.17 115.31 121.79 1n60 h LEU 406 Ca 0.00 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1n60 h LEU 406 Cb 0.98 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 1n60 h LEU 406 CO 0.08 0.66 0.46 0.00 -0.34 0.00 0.00 178.44 179.30 1n60 h ALA 407 N 0.78 1.00 -0.32 1.25 0.00 -0.85 0.74 119.26 121.86 1n60 h ALA 407 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n60 h ALA 407 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1n60 h ALA 407 CO 0.02 0.20 0.15 1.96 0.00 0.00 0.00 179.25 181.58 1n60 h GLN 408 N 0.86 0.31 -0.51 0.00 4.20 -1.09 0.63 115.11 119.50 1n60 h GLN 408 Ca 0.32 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 1n60 h GLN 408 Cb 0.10 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1n60 h GLN 408 CO -0.15 0.21 0.12 0.00 -0.67 0.00 0.00 178.83 178.34 1n60 h ARG 409 N 0.32 0.78 -0.00 1.46 3.08 -0.67 -2.28 114.38 117.08 1n60 h ARG 409 Ca 0.13 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1n60 h ARG 409 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1n60 h ARG 409 CO -0.10 0.71 -0.01 1.28 -1.07 0.00 0.00 179.97 180.78 1n60 n LEU 410 N -4.28 0.01 -3.63 3.04 4.77 0.17 -4.92 117.00 112.16 1n60 n LEU 410 Ca 0.04 0.47 -0.21 0.00 -0.03 0.00 0.00 56.01 56.27 1n60 n LEU 410 Cb 0.22 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1n60 n LEU 410 CO 0.40 0.00 0.04 -0.62 -1.33 0.00 0.00 177.39 175.88 1n60 n GLU 411 N -1.47 -5.87 -4.38 3.23 1.02 0.07 -4.99 120.64 108.25 1n60 n GLU 411 Ca 0.08 0.71 -0.25 0.00 -0.02 0.00 0.00 57.16 57.68 1n60 n GLU 411 Cb 0.33 -5.51 -0.13 0.00 -0.02 0.00 0.00 31.44 26.11 1n60 n GLU 411 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 1n60 s MET 412 N -5.89 1.23 0.18 3.49 1.75 -0.36 -5.04 119.30 114.65 1n60 s MET 412 Ca 0.14 -1.15 -0.31 0.00 -1.25 0.00 0.00 55.69 53.12 1n60 s MET 412 Cb -0.07 -1.50 -0.10 0.00 2.84 0.00 0.00 34.83 36.01 1n60 s MET 412 CO 0.78 0.36 1.49 0.34 -0.65 0.00 0.00 175.02 177.34 1n60 s ASP 413 N -1.79 6.66 0.48 1.11 -1.08 -1.26 -4.43 116.67 116.36 1n60 s ASP 413 Ca 0.08 2.57 0.28 0.00 -0.52 0.00 0.00 52.55 54.96 1n60 s ASP 413 Cb -0.10 -2.60 1.01 0.00 -1.46 0.00 0.00 42.92 39.77 1n60 s ASP 413 CO 0.04 -0.75 1.85 0.77 0.52 0.00 0.00 175.17 177.61 1n60 h SER 414 N 6.24 0.00 -0.15 -0.34 4.64 -1.92 -1.02 113.55 121.00 1n60 h SER 414 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 1n60 h SER 414 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1n60 h SER 414 CO 0.86 0.12 -0.02 0.00 -0.87 0.00 0.00 176.83 176.92 1n60 h ALA 415 N 1.88 0.21 -0.91 5.18 0.00 -1.98 -2.06 119.26 121.58 1n60 h ALA 415 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1n60 h ALA 415 Cb 0.70 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1n60 h ALA 415 CO 0.02 -0.06 0.57 -0.44 0.00 0.00 0.00 179.25 179.34 1n60 h ASP 416 N -0.00 1.08 -0.35 0.00 3.32 -1.79 -0.81 116.42 117.86 1n60 h ASP 416 Ca 0.04 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.05 1n60 h ASP 416 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1n60 h ASP 416 CO 0.01 0.81 0.19 0.25 -1.72 0.00 0.00 179.24 178.79 1n60 h LEU 417 N 1.25 0.31 -0.01 1.55 5.85 -1.11 -1.01 115.31 122.15 1n60 h LEU 417 Ca 0.33 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1n60 h LEU 417 Cb -0.09 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1n60 h LEU 417 CO -0.07 0.23 0.00 0.03 -0.34 0.00 0.00 178.44 178.29 1n60 h ARG 418 N 0.40 0.01 -0.81 1.25 3.08 -0.93 -2.87 114.38 114.51 1n60 h ARG 418 Ca 0.14 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1n60 h ARG 418 Cb 0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1n60 h ARG 418 CO -0.07 0.02 0.53 0.82 -1.07 0.00 0.00 179.97 180.20 1n60 h ILE 419 N -0.00 1.07 0.00 2.04 2.04 -0.88 0.47 117.51 122.24 1n60 h ILE 419 Ca 0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1n60 h ILE 419 Cb 0.01 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1n60 h ILE 419 CO -0.00 0.17 -0.08 0.50 0.00 0.00 0.00 178.15 178.74 1n60 h LYS 420 N 0.92 0.00 -0.00 2.37 3.64 -1.01 -3.25 116.57 119.23 1n60 h LYS 420 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1n60 h LYS 420 Cb 0.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1n60 h LYS 420 CO -0.12 0.08 0.00 0.09 -2.27 0.00 0.00 179.45 177.23 1n60 n ASN 421 N -3.40 1.25 -4.76 4.20 3.02 -0.06 -4.97 115.26 110.53 1n60 n ASN 421 Ca -0.01 -1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 53.01 1n60 n ASN 421 Cb 0.23 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1n60 n ASN 421 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1n60 s PHE 422 N -0.25 2.45 0.28 3.10 0.08 -0.04 -0.69 117.98 122.90 1n60 s PHE 422 Ca 0.03 1.33 -0.30 0.00 0.12 0.00 0.00 56.93 58.11 1n60 s PHE 422 Cb 0.02 -3.83 -0.12 0.00 -0.57 0.00 0.00 43.02 38.53 1n60 s PHE 422 CO 0.04 -2.79 1.63 0.42 -0.10 0.00 0.00 175.22 174.42 1n60 s ILE 423 N -1.26 2.01 0.33 0.64 1.01 -0.45 -4.54 121.20 118.94 1n60 s ILE 423 Ca 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 1n60 s ILE 423 Cb -0.41 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1n60 s ILE 423 CO 0.52 0.00 0.57 -1.10 0.00 0.00 0.00 174.94 174.93 1n60 s GLN 424 N -0.20 3.54 0.36 2.79 -1.52 -1.26 -4.57 119.66 118.80 1n60 s GLN 424 Ca 0.66 -0.16 0.05 0.00 -1.95 0.00 0.00 55.36 53.96 1n60 s GLN 424 Cb -0.49 -2.63 0.72 0.00 -0.22 0.00 0.00 33.01 30.39 1n60 s GLN 424 CO 0.45 0.14 1.96 -1.35 -0.25 0.00 0.00 175.29 176.25 1n60 h PRO 425 N 1.07 0.76 0.00 2.91 0.11 -1.95 -0.09 132.00 134.82 1n60 h PRO 425 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1n60 h PRO 425 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1n60 h PRO 425 CO 0.63 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.08 1n60 n GLU 426 N -4.48 0.23 0.00 1.05 0.00 -1.26 -2.90 120.64 113.28 1n60 n GLU 426 Ca 0.10 0.37 0.15 0.00 0.00 0.00 0.00 57.16 57.79 1n60 n GLU 426 Cb 0.21 -1.88 0.75 0.00 0.00 0.00 0.00 31.44 30.52 1n60 n GLU 426 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1n60 n GLN 427 N -2.29 0.67 -3.30 3.44 6.02 -0.05 -4.86 117.38 117.00 1n60 n GLN 427 Ca 0.03 -0.10 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 1n60 n GLN 427 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 1n60 n GLN 427 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1n60 s PHE 428 N -2.40 3.47 0.26 1.08 0.40 -1.14 -3.10 117.98 116.54 1n60 s PHE 428 Ca 0.33 1.05 -0.30 0.00 -0.60 0.00 0.00 56.93 57.41 1n60 s PHE 428 Cb 0.21 -2.39 -0.11 0.00 0.51 0.00 0.00 43.02 41.24 1n60 s PHE 428 CO 0.44 0.27 1.51 -2.14 0.70 0.00 0.00 175.22 176.00 1n60 s PRO 429 N -2.59 4.21 -0.21 0.24 0.02 -1.26 -5.00 135.00 130.41 1n60 s PRO 429 Ca 0.47 2.41 -0.03 0.00 0.02 0.00 0.00 61.00 63.87 1n60 s PRO 429 Cb -0.12 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.31 1n60 s PRO 429 CO 0.20 -0.52 -0.07 -0.47 -0.33 0.00 0.00 177.00 175.81 1n60 s TYR 430 N 0.10 2.92 -0.46 6.54 5.04 -0.60 -4.89 117.35 125.99 1n60 s TYR 430 Ca 0.62 -1.04 -0.29 0.00 -2.44 0.00 0.00 57.07 53.91 1n60 s TYR 430 Cb -0.44 -2.06 0.03 0.00 0.35 0.00 0.00 41.96 39.84 1n60 s TYR 430 CO 0.44 -0.57 1.15 1.41 -1.34 0.00 0.00 175.55 176.63 1n60 s MET 431 N 1.38 3.74 0.57 4.97 -2.45 -1.26 -0.32 119.30 125.93 1n60 s MET 431 Ca 0.05 0.61 -0.12 0.00 -1.25 0.00 0.00 55.69 54.99 1n60 s MET 431 Cb -0.14 -3.90 -0.05 0.00 1.25 0.00 0.00 34.83 31.99 1n60 s MET 431 CO -0.05 -1.36 0.97 0.00 1.05 0.00 0.00 175.02 175.64 1n60 s ALA 432 N 4.44 3.14 -1.78 4.11 0.00 0.15 -4.95 121.76 126.87 1n60 s ALA 432 Ca 0.48 -0.08 0.19 0.00 0.00 0.00 0.00 51.96 52.55 1n60 s ALA 432 Cb -0.08 -3.01 1.07 0.00 0.00 0.00 0.00 23.12 21.10 1n60 s ALA 432 CO 0.31 -0.50 1.55 -0.35 0.00 0.00 0.00 175.76 176.77 1n60 n PRO 433 N -2.32 0.47 -0.24 0.00 -0.04 -1.26 -1.84 135.00 129.77 1n60 n PRO 433 Ca 0.05 0.04 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1n60 n PRO 433 Cb 0.54 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.68 1n60 n PRO 433 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n60 n LEU 434 N -1.11 3.14 0.00 1.53 4.77 -1.26 -4.39 117.00 119.68 1n60 n LEU 434 Ca 0.12 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 1n60 n LEU 434 Cb 0.10 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1n60 n LEU 434 CO 0.12 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1n60 n GLY 435 N 0.05 0.65 3.79 -0.72 0.00 -0.77 -4.80 105.19 103.39 1n60 n GLY 435 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1n60 n GLY 435 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1n60 s TRP 436 N -2.00 3.71 -0.47 1.61 0.52 -1.26 -4.83 118.94 116.23 1n60 s TRP 436 Ca 0.00 1.14 -0.16 0.00 0.02 0.00 0.00 56.10 57.10 1n60 s TRP 436 Cb 0.00 -2.50 0.06 0.00 -1.15 0.00 0.00 33.47 29.88 1n60 s TRP 436 CO 0.00 0.47 0.43 -2.00 0.02 0.00 0.00 176.95 175.87 1n60 s GLU 437 N -0.57 3.02 0.26 4.98 2.12 -1.26 -0.67 118.70 126.57 1n60 s GLU 437 Ca 0.28 -1.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.16 1n60 s GLU 437 Cb -0.18 -4.09 -0.09 0.00 0.26 0.00 0.00 34.13 30.03 1n60 s GLU 437 CO 0.16 -1.01 1.12 0.71 -0.54 0.00 0.00 175.26 175.70 1n60 s TYR 438 N 1.89 3.54 -0.02 5.30 1.51 0.56 -4.78 117.35 125.34 1n60 s TYR 438 Ca 0.07 1.64 -0.17 0.00 -1.01 0.00 0.00 57.07 57.60 1n60 s TYR 438 Cb -0.22 -3.32 -0.33 0.00 -0.11 0.00 0.00 41.96 37.99 1n60 s TYR 438 CO 0.09 -0.70 0.86 0.38 -1.11 0.00 0.00 175.55 175.07 1n60 h ASP 439 N 4.12 0.63 -4.51 2.29 2.03 -1.88 -1.60 116.42 117.51 1n60 h ASP 439 Ca -0.46 -0.93 0.05 0.00 -0.73 0.00 0.00 57.03 54.96 1n60 h ASP 439 Cb 1.21 -0.21 -0.19 0.00 -0.83 0.00 0.00 39.33 39.31 1n60 h ASP 439 CO 0.68 1.61 0.43 -0.94 -1.03 0.00 0.00 179.24 179.99 1n60 s SER 440 N -7.27 -0.44 -0.29 4.15 1.04 -1.26 -4.14 113.70 105.48 1n60 s SER 440 Ca -0.13 0.33 -0.25 0.00 0.48 0.00 0.00 55.95 56.38 1n60 s SER 440 Cb 0.03 0.39 0.17 0.00 0.10 0.00 0.00 66.02 66.72 1n60 s SER 440 CO 0.87 -0.52 1.33 -0.83 0.98 0.00 0.00 173.24 175.08 1n60 s GLY 441 N -1.61 0.21 -0.59 7.32 0.00 -1.26 -4.84 107.32 106.54 1n60 s GLY 441 Ca -0.02 3.26 0.04 0.00 0.00 0.00 0.00 44.72 48.01 1n60 s GLY 441 CO -0.00 1.86 0.40 0.21 0.00 0.00 0.00 173.10 175.56 1n60 s ASN 442 N -0.00 4.02 0.04 1.64 3.04 -1.26 -4.03 114.94 118.39 1n60 s ASN 442 Ca 0.06 -3.44 -0.19 0.00 0.04 0.00 0.00 52.86 49.34 1n60 s ASN 442 Cb -0.05 -1.35 -0.17 0.00 -1.54 0.00 0.00 41.25 38.14 1n60 s ASN 442 CO -0.13 -0.14 1.25 1.88 -3.04 0.00 0.00 177.10 176.92 1n60 h TYR 443 N 5.78 0.61 -0.68 0.43 0.05 -1.95 -3.06 116.97 118.14 1n60 h TYR 443 Ca 0.11 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 1n60 h TYR 443 Cb 0.82 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 1n60 h TYR 443 CO 0.56 0.98 0.34 -1.35 -1.05 0.00 0.00 178.16 177.65 1n60 h PRO 444 N 0.06 0.96 -0.42 4.88 0.11 -1.93 -0.19 132.00 135.47 1n60 h PRO 444 Ca -0.01 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 1n60 h PRO 444 Cb 0.99 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1n60 h PRO 444 CO 0.08 0.73 0.08 1.25 -0.21 0.00 0.00 178.00 179.93 1n60 h LEU 445 N 0.96 0.66 -0.47 2.35 5.85 -1.99 -0.79 115.31 121.87 1n60 h LEU 445 Ca 0.24 -0.25 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 1n60 h LEU 445 Cb 0.07 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1n60 h LEU 445 CO -0.03 0.74 -0.10 0.00 -0.34 0.00 0.00 178.44 178.70 1n60 h ALA 446 N 0.94 0.65 -0.50 1.25 0.00 -1.36 -0.75 119.26 119.49 1n60 h ALA 446 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1n60 h ALA 446 Cb 0.35 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1n60 h ALA 446 CO 0.01 0.54 0.33 1.98 0.00 0.00 0.00 179.25 182.10 1n60 h MET 447 N 0.75 0.67 -0.74 0.00 1.85 -0.95 -0.67 114.93 115.84 1n60 h MET 447 Ca 0.12 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.11 1n60 h MET 447 Cb 0.64 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.49 1n60 h MET 447 CO 0.04 0.45 0.23 -0.22 -0.40 0.00 0.00 176.91 177.01 1n60 h LYS 448 N 0.68 1.15 -0.51 0.39 1.63 -0.96 -0.79 116.57 118.16 1n60 h LYS 448 Ca 0.18 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1n60 h LYS 448 Cb -0.07 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.38 1n60 h LYS 448 CO -0.04 0.98 0.23 -0.22 -3.45 0.00 0.00 179.45 176.95 1n60 h LYS 449 N 1.10 0.74 -0.08 1.90 3.64 -0.62 0.18 116.57 123.43 1n60 h LYS 449 Ca 0.24 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1n60 h LYS 449 Cb 0.31 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1n60 h LYS 449 CO -0.01 0.63 0.05 0.00 -2.27 0.00 0.00 179.45 177.86 1n60 h ALA 450 N 1.07 0.11 -0.55 5.00 0.00 -0.93 0.72 119.26 124.68 1n60 h ALA 450 Ca 0.17 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1n60 h ALA 450 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n60 h ALA 450 CO -0.02 -0.40 0.14 0.52 0.00 0.00 0.00 179.25 179.50 1n60 h MET 451 N 0.10 0.84 -0.40 0.00 2.86 -0.75 -1.29 114.93 116.29 1n60 h MET 451 Ca 0.03 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1n60 h MET 451 Cb 0.00 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1n60 h MET 451 CO -0.01 0.75 -0.20 -0.44 1.06 0.00 0.00 176.91 178.07 1n60 h ASP 452 N 0.81 0.87 -0.40 1.22 3.32 -0.51 -0.48 116.42 121.26 1n60 h ASP 452 Ca 0.18 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1n60 h ASP 452 Cb 0.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1n60 h ASP 452 CO -0.00 1.08 0.18 0.74 -1.72 0.00 0.00 179.24 179.52 1n60 h THR 453 N 0.66 1.18 -0.00 0.35 2.02 -0.28 -2.66 112.91 114.17 1n60 h THR 453 Ca 0.09 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1n60 h THR 453 Cb 0.75 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1n60 h THR 453 CO 0.06 0.19 -0.25 1.33 0.37 0.00 0.00 175.52 177.22 1n60 n VAL 454 N -4.68 0.00 -2.72 3.16 0.24 -0.54 -4.95 118.33 108.83 1n60 n VAL 454 Ca -0.00 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.34 62.18 1n60 n VAL 454 Cb 0.12 -0.02 0.05 0.00 -1.47 0.00 0.00 33.84 32.51 1n60 n VAL 454 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1n60 n GLY 455 N 1.44 -0.08 0.10 7.63 0.00 -0.32 -4.73 105.19 109.23 1n60 n GLY 455 Ca 0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 1n60 n GLY 455 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n60 h TYR 456 N -0.95 0.05 -0.77 1.61 3.20 -1.50 0.44 116.97 119.04 1n60 h TYR 456 Ca -0.34 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.57 1n60 h TYR 456 Cb 1.19 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 1n60 h TYR 456 CO 0.23 0.01 0.50 1.25 -1.64 0.00 0.00 178.16 178.51 1n60 h HIS 457 N 0.10 0.95 -0.69 -3.82 2.76 -1.92 -0.74 115.15 111.80 1n60 h HIS 457 Ca 0.08 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1n60 h HIS 457 Cb 0.09 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.70 1n60 h HIS 457 CO -0.15 0.57 0.18 1.96 -1.30 0.00 0.00 177.93 179.20 1n60 h GLN 458 N 1.01 1.08 -0.91 5.26 4.20 -1.72 -2.42 115.11 121.60 1n60 h GLN 458 Ca 0.30 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1n60 h GLN 458 Cb -0.05 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1n60 h GLN 458 CO -0.09 0.94 0.51 -0.07 -0.67 0.00 0.00 178.83 179.45 1n60 h LEU 459 N 1.03 1.13 -1.01 1.46 3.38 -0.08 0.93 115.31 122.17 1n60 h LEU 459 Ca 0.22 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1n60 h LEU 459 Cb 0.34 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1n60 h LEU 459 CO -0.00 0.90 0.32 0.03 0.09 0.00 0.00 178.44 179.78 1n60 h ARG 460 N 1.27 1.03 -0.37 1.13 2.47 -0.82 0.96 114.38 120.05 1n60 h ARG 460 Ca 0.32 -0.15 -0.15 0.00 -1.26 0.00 0.00 59.98 58.73 1n60 h ARG 460 Cb 0.02 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 1n60 h ARG 460 CO -0.05 0.81 -0.38 0.00 0.56 0.00 0.00 179.97 180.91 1n60 h ALA 461 N 1.33 0.63 -0.41 0.04 0.00 -0.93 -0.64 119.26 119.28 1n60 h ALA 461 Ca 0.24 -0.45 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n60 h ALA 461 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1n60 h ALA 461 CO -0.03 0.67 0.24 1.49 0.00 0.00 0.00 179.25 181.62 1n60 h GLU 462 N 0.73 0.47 -0.36 0.00 4.81 -0.45 -1.15 114.58 118.63 1n60 h GLU 462 Ca 0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1n60 h GLU 462 Cb 0.96 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1n60 h GLU 462 CO 0.09 0.31 0.24 0.37 -0.73 0.00 0.00 179.01 179.29 1n60 h GLN 463 N 0.48 0.48 -0.79 1.92 4.15 -0.62 0.11 115.11 120.84 1n60 h GLN 463 Ca 0.16 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.56 1n60 h GLN 463 Cb 0.01 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 1n60 h GLN 463 CO -0.08 0.32 0.52 -0.22 -1.93 0.00 0.00 178.83 177.44 1n60 h LYS 464 N 0.49 1.04 -0.53 1.69 3.64 -0.86 -0.06 116.57 121.98 1n60 h LYS 464 Ca 0.13 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1n60 h LYS 464 Cb -0.05 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1n60 h LYS 464 CO -0.03 0.69 0.03 0.00 -2.27 0.00 0.00 179.45 177.88 1n60 h ALA 465 N 1.28 1.06 -0.46 5.00 0.00 -0.70 -0.97 119.26 124.48 1n60 h ALA 465 Ca 0.29 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1n60 h ALA 465 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1n60 h ALA 465 CO -0.06 0.59 -0.11 -0.22 0.00 0.00 0.00 179.25 179.45 1n60 h LYS 466 N 0.81 0.83 -0.60 0.00 3.64 -0.35 -0.26 116.57 120.63 1n60 h LYS 466 Ca 0.16 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.18 1n60 h LYS 466 Cb 0.44 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1n60 h LYS 466 CO 0.02 0.90 0.07 1.96 -2.27 0.00 0.00 179.45 180.12 1n60 h GLN 467 N 0.75 1.02 -0.57 1.90 4.20 -0.65 -0.26 115.11 121.50 1n60 h GLN 467 Ca 0.12 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 1n60 h GLN 467 Cb 0.61 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1n60 h GLN 467 CO 0.04 0.97 0.24 0.93 -0.67 0.00 0.00 178.83 180.34 1n60 h GLU 468 N 0.92 0.84 -0.93 1.46 5.08 -0.85 -0.38 114.58 120.71 1n60 h GLU 468 Ca 0.18 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1n60 h GLU 468 Cb 0.47 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1n60 h GLU 468 CO 0.02 0.71 0.62 0.00 -1.00 0.00 0.00 179.01 179.36 1n60 h ALA 469 N 1.08 1.37 -0.18 3.43 0.00 -0.66 -0.29 119.26 124.01 1n60 h ALA 469 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n60 h ALA 469 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1n60 h ALA 469 CO -0.02 0.57 0.07 0.35 0.00 0.00 0.00 179.25 180.22 1n60 h PHE 470 N 1.22 0.27 0.00 0.00 3.57 -0.42 0.57 116.94 122.16 1n60 h PHE 470 Ca 0.36 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1n60 h PHE 470 Cb -0.07 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1n60 h PHE 470 CO -0.00 0.32 -0.10 0.87 -2.23 0.00 0.00 178.31 177.17 1n60 h LYS 471 N 0.14 0.00 -0.00 1.11 1.57 -0.66 -1.30 116.57 117.42 1n60 h LYS 471 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1n60 h LYS 471 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1n60 h LYS 471 CO -0.01 0.10 -0.14 0.54 -0.57 0.00 0.00 179.45 179.38 1n60 n ARG 472 N -3.36 0.31 -0.82 3.15 1.74 -0.16 -4.92 116.66 112.60 1n60 n ARG 472 Ca -0.01 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1n60 n ARG 472 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1n60 n ARG 472 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1n60 n GLY 473 N 1.39 0.59 0.01 -0.13 0.00 -0.49 -4.97 105.19 101.59 1n60 n GLY 473 Ca 0.10 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1n60 n GLY 473 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n60 n GLU 474 N -2.48 0.09 -3.68 1.61 1.02 0.11 -4.94 120.64 112.37 1n60 n GLU 474 Ca 0.00 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1n60 n GLU 474 Cb 0.05 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 1n60 n GLU 474 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1n60 s THR 475 N -3.06 0.06 -0.38 2.62 -1.32 -1.25 -4.98 115.64 107.33 1n60 s THR 475 Ca 0.08 -0.48 0.12 0.00 -1.21 0.00 0.00 61.69 60.19 1n60 s THR 475 Cb 0.16 -0.94 0.31 0.00 -1.51 0.00 0.00 72.50 70.52 1n60 s THR 475 CO 0.79 -0.27 1.23 0.54 -2.21 0.00 0.00 174.62 174.71 1n60 n ARG 476 N 0.54 2.64 -4.40 7.08 5.12 -1.26 -4.49 116.66 121.89 1n60 n ARG 476 Ca -0.19 -2.26 -0.34 0.00 -1.93 0.00 0.00 57.85 53.13 1n60 n ARG 476 Cb 0.60 -1.42 -0.10 0.00 -1.16 0.00 0.00 32.46 30.37 1n60 n ARG 476 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1n60 s GLU 477 N -1.86 3.14 0.13 5.56 2.12 -1.26 -1.48 118.70 125.05 1n60 s GLU 477 Ca 0.26 -0.45 0.11 0.00 0.36 0.00 0.00 54.97 55.24 1n60 s GLU 477 Cb 0.19 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1n60 s GLU 477 CO 0.08 0.58 -0.26 0.96 -0.54 0.00 0.00 175.26 176.09 1n60 s ILE 478 N -0.55 2.35 -0.14 -3.70 -4.36 -0.03 -4.86 121.20 109.92 1n60 s ILE 478 Ca 0.09 -1.73 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 1n60 s ILE 478 Cb -0.12 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.52 1n60 s ILE 478 CO 0.02 0.09 -0.08 -0.32 0.24 0.00 0.00 174.94 174.88 1n60 s MET 479 N -2.09 3.46 0.05 0.37 -2.45 -1.26 -0.23 119.30 117.15 1n60 s MET 479 Ca 0.15 -0.60 0.09 0.00 -1.25 0.00 0.00 55.69 54.08 1n60 s MET 479 Cb -0.10 -2.75 -0.03 0.00 1.25 0.00 0.00 34.83 33.20 1n60 s MET 479 CO 0.07 0.27 -0.26 0.20 1.05 0.00 0.00 175.02 176.34 1n60 s GLY 480 N 0.25 1.41 -0.25 2.11 0.00 0.39 -4.21 107.32 107.01 1n60 s GLY 480 Ca -0.06 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.37 1n60 s GLY 480 CO 0.04 -1.18 -0.08 -0.42 0.00 0.00 0.00 173.10 171.47 1n60 s ILE 481 N -0.83 2.69 -0.13 0.90 1.01 -1.26 -0.99 121.20 122.58 1n60 s ILE 481 Ca 0.12 -1.16 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 1n60 s ILE 481 Cb -0.10 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1n60 s ILE 481 CO 0.02 0.16 0.26 -0.83 0.00 0.00 0.00 174.94 174.55 1n60 s GLY 482 N 1.28 2.22 -0.06 6.18 0.00 0.11 -4.40 107.32 112.64 1n60 s GLY 482 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.26 1n60 s GLY 482 CO -0.05 0.16 -0.18 -0.42 0.00 0.00 0.00 173.10 172.61 1n60 s ILE 483 N -0.15 1.56 -0.15 0.90 1.01 -1.26 -0.83 121.20 122.28 1n60 s ILE 483 Ca 0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 1n60 s ILE 483 Cb -0.13 -1.35 0.05 0.00 0.01 0.00 0.00 42.46 41.04 1n60 s ILE 483 CO 0.05 0.45 0.07 -0.55 0.00 0.00 0.00 174.94 174.95 1n60 s SER 484 N 0.19 2.19 -0.23 3.58 0.15 -0.01 -4.54 113.70 115.03 1n60 s SER 484 Ca -0.09 -0.50 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 1n60 s SER 484 Cb -0.14 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1n60 s SER 484 CO 0.04 -0.31 -0.04 0.12 1.20 0.00 0.00 173.24 174.25 1n60 s PHE 485 N 2.08 2.99 0.06 3.44 2.19 -1.26 -0.46 117.98 127.02 1n60 s PHE 485 Ca 0.02 -1.08 0.04 0.00 0.33 0.00 0.00 56.93 56.24 1n60 s PHE 485 Cb -0.15 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.42 1n60 s PHE 485 CO -0.08 -0.59 -0.11 -0.59 1.83 0.00 0.00 175.22 175.68 1n60 s PHE 486 N 1.45 0.94 -0.23 10.12 -0.71 -0.45 -4.69 117.98 124.41 1n60 s PHE 486 Ca 0.04 -0.50 -0.03 0.00 -1.04 0.00 0.00 56.93 55.40 1n60 s PHE 486 Cb -0.15 -0.54 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1n60 s PHE 486 CO -0.03 -0.02 -0.05 0.99 -1.34 0.00 0.00 175.22 174.77 1n60 s THR 487 N -1.45 3.16 0.59 -4.49 2.01 -1.26 -1.58 115.64 112.62 1n60 s THR 487 Ca -0.05 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 1n60 s THR 487 Cb -0.09 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1n60 s THR 487 CO 0.01 0.34 0.88 -1.61 -0.69 0.00 0.00 174.62 173.55 1n60 s GLU 488 N 1.42 2.85 -0.19 4.92 0.41 0.05 -4.92 118.70 123.24 1n60 s GLU 488 Ca 0.04 -0.11 -0.05 0.00 -0.41 0.00 0.00 54.97 54.44 1n60 s GLU 488 Cb -0.15 -2.30 0.07 0.00 -1.78 0.00 0.00 34.13 29.97 1n60 s GLU 488 CO -0.04 -0.71 0.10 -1.50 -0.49 0.00 0.00 175.26 172.62 1n60 s ILE 489 N -2.96 -0.10 0.00 -1.63 2.07 -1.26 -3.94 121.20 113.38 1n60 s ILE 489 Ca 0.54 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.51 1n60 s ILE 489 Cb -0.10 -0.64 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 1n60 s ILE 489 CO 0.44 -0.35 0.02 0.68 -1.91 0.00 0.00 174.94 173.82 1n60 s VAL 490 N 2.14 0.06 0.00 4.00 -7.23 0.25 -4.93 120.40 114.69 1n60 s VAL 490 Ca 0.03 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 1n60 s VAL 490 Cb -0.16 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.58 1n60 s VAL 490 CO -0.14 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1n60 n GLY 491 N 2.18 1.52 3.68 2.32 0.00 -1.20 -0.62 105.19 113.07 1n60 n GLY 491 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1n60 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 s ALA 492 N -2.00 3.67 0.00 4.61 0.00 -1.26 -4.66 121.76 122.12 1n60 s ALA 492 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1n60 s ALA 492 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1n60 s ALA 492 CO 0.00 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.77 1n60 n GLY 493 N 4.38 -0.52 3.75 0.00 0.00 -0.24 -4.74 105.19 107.82 1n60 n GLY 493 Ca 0.19 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1n60 n GLY 493 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n60 n PRO 494 N -0.35 2.47 0.28 1.61 -0.02 -1.24 -4.07 135.00 133.69 1n60 n PRO 494 Ca 0.00 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.48 1n60 n PRO 494 Cb 0.00 -2.54 0.83 0.00 -0.02 0.00 0.00 33.50 31.77 1n60 n PRO 494 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n60 h SER 495 N 2.83 0.00 -0.98 2.55 4.64 -1.79 0.37 113.55 121.18 1n60 h SER 495 Ca -0.49 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 60.96 1n60 h SER 495 Cb 1.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.26 1n60 h SER 495 CO 0.64 0.05 0.62 0.07 -0.87 0.00 0.00 176.83 177.33 1n60 h LYS 496 N 0.00 0.88 0.00 4.77 2.10 -1.94 -3.35 116.57 119.03 1n60 h LYS 496 Ca -0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1n60 h LYS 496 Cb 0.13 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1n60 h LYS 496 CO 0.01 0.58 0.00 0.27 -2.00 0.00 0.00 179.45 178.31 1n60 n ASN 497 N -4.61 0.05 -4.03 7.07 0.23 -0.88 -5.03 115.26 108.05 1n60 n ASN 497 Ca 0.19 -1.02 -0.31 0.00 -0.53 0.00 0.00 54.58 52.91 1n60 n ASN 497 Cb 0.40 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.94 1n60 n ASN 497 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n60 s ASP 499 N 1.42 -0.15 -0.36 0.00 -4.77 -1.26 -1.51 116.67 110.04 1n60 s ASP 499 Ca 0.02 0.01 -0.07 0.00 -3.30 0.00 0.00 52.55 49.21 1n60 s ASP 499 Cb -0.14 0.30 0.05 0.00 -1.09 0.00 0.00 42.92 42.04 1n60 s ASP 499 CO -0.10 -0.45 0.15 -0.63 0.70 0.00 0.00 175.17 174.84 1n60 s ILE 500 N -1.46 3.90 -1.54 2.11 -1.09 0.36 -0.60 121.20 122.88 1n60 s ILE 500 Ca -0.13 -1.24 -0.05 0.00 -2.23 0.00 0.00 60.65 57.00 1n60 s ILE 500 Cb -0.05 -3.28 0.05 0.00 -1.58 0.00 0.00 42.46 37.60 1n60 s ILE 500 CO 0.03 -0.29 0.37 0.18 -1.23 0.00 0.00 174.94 174.00 1n60 n LEU 501 N 4.83 -1.64 0.00 2.97 4.77 -1.26 -0.51 117.00 126.16 1n60 n LEU 501 Ca -0.11 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1n60 n LEU 501 Cb 0.44 -1.96 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 1n60 n LEU 501 CO 0.34 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1n60 n GLY 502 N -1.99 1.00 3.61 -0.72 0.00 -1.26 -5.03 105.19 100.80 1n60 n GLY 502 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1n60 n GLY 502 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n60 s VAL 503 N -2.48 5.20 0.57 1.61 1.01 0.34 -5.02 120.40 121.62 1n60 s VAL 503 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 61.98 62.31 1n60 s VAL 503 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1n60 s VAL 503 CO 0.00 0.19 1.17 -1.20 0.00 0.00 0.00 175.10 175.26 1n60 n SER 504 N 5.16 1.76 -3.08 3.32 7.64 -1.26 -0.48 113.62 126.67 1n60 n SER 504 Ca -0.09 0.90 -0.34 0.00 1.01 0.00 0.00 58.87 60.35 1n60 n SER 504 Cb 0.51 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.19 1n60 n SER 504 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1n60 n MET 505 N -1.02 3.70 -2.19 1.43 0.00 -0.57 -4.80 117.12 113.68 1n60 n MET 505 Ca 0.12 -2.79 -0.27 0.00 0.00 0.00 0.00 57.70 54.76 1n60 n MET 505 Cb 0.45 -2.48 0.15 0.00 0.00 0.00 0.00 33.22 31.34 1n60 n MET 505 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1n60 s PHE 506 N -0.60 1.72 0.24 2.03 -0.12 -1.26 -1.08 117.98 118.90 1n60 s PHE 506 Ca 0.59 0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.61 1n60 s PHE 506 Cb 0.24 -3.63 -0.01 0.00 -0.63 0.00 0.00 43.02 39.00 1n60 s PHE 506 CO -0.11 -2.20 0.27 -3.47 -0.05 0.00 0.00 175.22 169.66 1n60 n ASP 507 N -3.35 -0.73 -3.62 1.98 -0.08 -0.96 -3.88 116.55 105.90 1n60 n ASP 507 Ca 0.14 -2.41 -0.10 0.00 -1.51 0.00 0.00 54.79 50.90 1n60 n ASP 507 Cb 0.60 1.48 -0.04 0.00 2.34 0.00 0.00 41.12 45.50 1n60 n ASP 507 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1n60 s SER 508 N -2.56 -0.27 -0.10 1.67 1.04 -1.26 -0.17 113.70 112.05 1n60 s SER 508 Ca 0.24 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 1n60 s SER 508 Cb 0.00 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.65 1n60 s SER 508 CO 0.17 -0.89 0.29 0.00 0.98 0.00 0.00 173.24 173.80 1n60 s ALA 509 N -3.81 -0.73 -0.06 5.32 0.00 -0.44 -1.95 121.76 120.09 1n60 s ALA 509 Ca 0.04 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1n60 s ALA 509 Cb 0.01 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1n60 s ALA 509 CO -0.11 -0.16 -0.12 -2.00 0.00 0.00 0.00 175.76 173.37 1n60 s GLU 510 N -0.04 1.60 -0.07 0.00 2.12 0.54 -1.01 118.70 121.83 1n60 s GLU 510 Ca -0.02 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1n60 s GLU 510 Cb -0.03 -1.35 0.02 0.00 0.26 0.00 0.00 34.13 33.03 1n60 s GLU 510 CO 0.01 0.07 -0.09 0.42 -0.54 0.00 0.00 175.26 175.12 1n60 s ILE 511 N 0.52 0.97 -0.10 -3.70 1.01 0.31 -0.69 121.20 119.52 1n60 s ILE 511 Ca -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1n60 s ILE 511 Cb -0.14 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1n60 s ILE 511 CO 0.03 0.33 -0.12 -0.60 0.00 0.00 0.00 174.94 174.58 1n60 s ARG 512 N 0.97 1.84 -0.20 2.79 3.52 0.03 -0.90 118.95 127.00 1n60 s ARG 512 Ca -0.09 -0.42 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1n60 s ARG 512 Cb -0.15 -1.64 -0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1n60 s ARG 512 CO 0.00 -0.09 0.16 0.42 -0.81 0.00 0.00 175.30 174.98 1n60 s ILE 513 N 1.09 5.38 0.70 4.11 1.01 -0.10 -1.48 121.20 131.91 1n60 s ILE 513 Ca -0.06 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.72 1n60 s ILE 513 Cb -0.14 -3.50 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1n60 s ILE 513 CO -0.02 0.41 1.09 -1.00 0.00 0.00 0.00 174.94 175.42 1n60 s HIS 514 N 0.56 3.32 0.36 3.97 3.76 0.54 -4.47 115.29 123.33 1n60 s HIS 514 Ca 0.09 1.10 0.09 0.00 -0.15 0.00 0.00 55.06 56.19 1n60 s HIS 514 Cb -0.12 -3.02 0.83 0.00 1.11 0.00 0.00 32.58 31.38 1n60 s HIS 514 CO 0.00 -1.16 1.88 -1.35 -0.85 0.00 0.00 174.74 173.26 1n60 h PRO 515 N -0.64 0.66 -0.09 8.40 0.11 -1.87 -0.52 132.00 138.04 1n60 h PRO 515 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n60 h PRO 515 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1n60 h PRO 515 CO 0.63 0.44 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 1n60 n THR 516 N -4.55 0.11 0.00 -1.15 -2.24 -1.26 -3.00 114.28 102.19 1n60 n THR 516 Ca 0.17 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1n60 n THR 516 Cb 0.46 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 1n60 n THR 516 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n60 n GLY 517 N 1.15 0.52 3.94 3.38 0.00 -0.20 -5.01 105.19 108.97 1n60 n GLY 517 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1n60 n GLY 517 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n60 s SER 518 N -2.58 4.06 -0.02 1.61 1.04 -1.26 -4.80 113.70 111.74 1n60 s SER 518 Ca 0.00 0.20 -0.03 0.00 0.48 0.00 0.00 55.95 56.60 1n60 s SER 518 Cb 0.00 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1n60 s SER 518 CO 0.00 -2.10 0.08 -0.69 0.98 0.00 0.00 173.24 171.51 1n60 s VAL 519 N -3.48 0.02 -0.13 5.02 1.01 -0.00 -0.34 120.40 122.50 1n60 s VAL 519 Ca 0.67 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.51 1n60 s VAL 519 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1n60 s VAL 519 CO 0.48 -0.08 -0.16 -0.51 0.00 0.00 0.00 175.10 174.83 1n60 s ILE 520 N -0.22 2.71 0.00 2.22 1.10 -0.55 -0.52 121.20 125.95 1n60 s ILE 520 Ca -0.03 -0.78 0.01 0.00 -0.51 0.00 0.00 60.65 59.35 1n60 s ILE 520 Cb -0.02 -2.12 -0.01 0.00 0.15 0.00 0.00 42.46 40.46 1n60 s ILE 520 CO 0.00 0.53 -0.05 0.00 -2.11 0.00 0.00 174.94 173.31 1n60 s ALA 521 N 0.50 0.40 0.08 1.50 0.00 0.08 -0.78 121.76 123.54 1n60 s ALA 521 Ca -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1n60 s ALA 521 Cb -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1n60 s ALA 521 CO 0.05 0.07 -0.09 1.03 0.00 0.00 0.00 175.76 176.81 1n60 s ARG 522 N -0.39 0.78 0.11 0.00 0.52 0.13 -1.04 118.95 119.05 1n60 s ARG 522 Ca -0.01 -1.10 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 1n60 s ARG 522 Cb -0.03 -0.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.96 1n60 s ARG 522 CO -0.00 0.06 -0.02 -1.64 0.02 0.00 0.00 175.30 173.72 1n60 s MET 523 N -2.70 0.85 0.00 3.54 -1.94 -1.03 -0.34 119.30 117.68 1n60 s MET 523 Ca 0.03 -1.36 0.11 0.00 -1.71 0.00 0.00 55.69 52.76 1n60 s MET 523 Cb -0.03 -0.04 0.33 0.00 2.01 0.00 0.00 34.83 37.10 1n60 s MET 523 CO -0.01 -0.10 1.27 0.41 -0.01 0.00 0.00 175.02 176.58 1n60 n GLY 524 N -0.05 0.58 2.61 -0.03 0.00 -0.82 -4.52 105.19 102.95 1n60 n GLY 524 Ca -0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1n60 n GLY 524 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n60 n THR 525 N 0.49 0.00 -3.29 2.61 -2.24 -1.26 -2.49 114.28 108.10 1n60 n THR 525 Ca 0.12 -1.06 -0.06 0.00 -2.27 0.00 0.00 64.05 60.78 1n60 n THR 525 Cb 0.29 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.41 1n60 n THR 525 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1n60 s LYS 526 N -4.21 0.42 0.50 -0.78 2.47 -1.26 -4.18 119.74 112.70 1n60 s LYS 526 Ca 0.44 0.57 -0.23 0.00 -1.56 0.00 0.00 55.97 55.19 1n60 s LYS 526 Cb -0.03 -0.18 -0.07 0.00 -1.46 0.00 0.00 37.83 36.09 1n60 s LYS 526 CO 0.29 -0.73 1.26 0.45 0.16 0.00 0.00 175.35 176.78 1n60 n SER 527 N 5.38 2.34 -1.15 1.43 2.88 -1.26 -4.36 113.62 118.88 1n60 n SER 527 Ca -0.02 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1n60 n SER 527 Cb 0.50 -1.51 0.13 0.00 -0.75 0.00 0.00 64.21 62.58 1n60 n SER 527 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n60 n GLN 528 N -0.54 1.62 0.00 -1.46 3.00 -1.26 -4.55 117.38 114.18 1n60 n GLN 528 Ca 0.09 -3.20 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 1n60 n GLN 528 Cb 0.43 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.26 1n60 n GLN 528 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n60 n GLY 529 N -0.70 0.69 0.00 1.08 0.00 -1.26 -3.01 105.19 102.00 1n60 n GLY 529 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1n60 n GLY 529 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n60 n GLN 530 N 0.00 0.93 -0.64 1.61 3.00 -1.26 -4.88 117.38 116.13 1n60 n GLN 530 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1n60 n GLN 530 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1n60 n GLN 530 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n60 n GLY 531 N 0.80 0.63 0.35 1.08 0.00 -1.26 -4.95 105.19 101.84 1n60 n GLY 531 Ca 0.20 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1n60 n GLY 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1n60 h HIS 532 N 0.00 1.06 0.00 1.61 3.86 -1.97 0.50 115.15 120.22 1n60 h HIS 532 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1n60 h HIS 532 Cb 0.00 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.14 1n60 h HIS 532 CO 0.00 0.39 -0.02 0.93 0.86 0.00 0.00 177.93 180.09 1n60 h GLU 533 N 0.90 0.00 0.00 2.45 5.08 -1.92 -0.81 114.58 120.28 1n60 h GLU 533 Ca 0.49 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.65 1n60 h GLU 533 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1n60 h GLU 533 CO -0.29 0.02 -1.21 2.41 -1.00 0.00 0.00 179.01 178.94 1n60 n THR 534 N -3.41 1.52 0.07 1.13 -1.04 -0.02 -4.48 114.28 108.05 1n60 n THR 534 Ca -0.03 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.82 1n60 n THR 534 Cb 0.11 -2.09 -0.08 0.00 -1.82 0.00 0.00 70.33 66.46 1n60 n THR 534 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1n60 h THR 535 N -1.00 1.38 -0.57 12.58 1.35 -0.82 -2.98 112.91 122.85 1n60 h THR 535 Ca -0.31 -2.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.04 1n60 h THR 535 Cb 1.20 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 70.12 1n60 h THR 535 CO -0.19 0.75 0.36 1.88 -0.25 0.00 0.00 175.52 178.07 1n60 h TYR 536 N 0.24 0.72 -0.00 4.73 0.05 -1.39 -1.25 116.97 120.07 1n60 h TYR 536 Ca -0.11 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1n60 h TYR 536 Cb 1.71 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 39.20 1n60 h TYR 536 CO 0.08 0.47 -0.26 0.00 -1.05 0.00 0.00 178.16 177.40 1n60 h ALA 537 N 1.62 1.57 -0.58 3.88 0.00 -1.72 -2.36 119.26 121.67 1n60 h ALA 537 Ca 0.21 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1n60 h ALA 537 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n60 h ALA 537 CO -0.04 0.32 0.02 1.96 0.00 0.00 0.00 179.25 181.51 1n60 h GLN 538 N 0.01 0.99 0.14 0.00 4.20 -1.09 0.80 115.11 120.16 1n60 h GLN 538 Ca -0.00 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 1n60 h GLN 538 Cb 0.46 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1n60 h GLN 538 CO 0.03 0.96 -0.07 0.82 -0.67 0.00 0.00 178.83 179.91 1n60 h ILE 539 N 0.91 0.94 -0.63 2.54 2.04 -1.14 -2.53 117.51 119.64 1n60 h ILE 539 Ca 0.17 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1n60 h ILE 539 Cb 0.50 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1n60 h ILE 539 CO 0.02 0.08 0.42 0.40 0.00 0.00 0.00 178.15 179.07 1n60 h ILE 540 N -0.34 1.16 -0.50 -0.67 2.04 -1.31 -2.08 117.51 115.82 1n60 h ILE 540 Ca -0.02 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1n60 h ILE 540 Cb 0.27 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1n60 h ILE 540 CO 0.03 0.16 0.24 0.00 0.00 0.00 0.00 178.15 178.58 1n60 h ALA 541 N 1.23 0.63 -0.38 1.87 0.00 -0.70 -0.01 119.26 121.91 1n60 h ALA 541 Ca 0.23 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1n60 h ALA 541 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1n60 h ALA 541 CO -0.05 -0.11 -0.20 1.15 0.00 0.00 0.00 179.25 180.04 1n60 h THR 542 N 0.47 1.28 -0.79 0.00 2.02 -1.27 0.14 112.91 114.77 1n60 h THR 542 Ca 0.22 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1n60 h THR 542 Cb 0.14 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1n60 h THR 542 CO -0.16 0.44 0.36 -0.33 0.37 0.00 0.00 175.52 176.20 1n60 h GLU 543 N 0.61 1.15 -0.00 6.66 4.39 -0.83 -3.30 114.58 123.25 1n60 h GLU 543 Ca 0.08 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1n60 h GLU 543 Cb 0.75 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1n60 h GLU 543 CO 0.06 0.90 -0.63 1.28 -1.16 0.00 0.00 179.01 179.46 1n60 n LEU 544 N -4.30 0.68 -2.20 1.33 4.77 -0.07 -4.92 117.00 112.30 1n60 n LEU 544 Ca 0.08 -0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 55.38 1n60 n LEU 544 Cb 0.15 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1n60 n LEU 544 CO 0.40 0.17 -0.06 0.61 -1.33 0.00 0.00 177.39 177.18 1n60 n GLY 545 N 1.31 -0.24 3.36 -0.72 0.00 0.48 -4.73 105.19 104.64 1n60 n GLY 545 Ca 0.03 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1n60 n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n60 s ILE 546 N -2.96 3.13 0.46 -0.61 1.01 -1.17 -4.71 121.20 116.34 1n60 s ILE 546 Ca 0.17 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1n60 s ILE 546 Cb -0.07 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.97 1n60 s ILE 546 CO 0.21 0.50 1.25 -2.65 0.00 0.00 0.00 174.94 174.25 1n60 n PRO 547 N 3.81 1.77 -0.31 2.79 -0.02 -1.26 -4.14 135.00 137.64 1n60 n PRO 547 Ca -0.18 0.64 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1n60 n PRO 547 Cb 0.52 -2.39 0.32 0.00 -0.02 0.00 0.00 33.50 31.94 1n60 n PRO 547 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n60 h ALA 548 N 1.80 1.70 0.00 3.55 0.00 -1.40 0.18 119.26 125.09 1n60 h ALA 548 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n60 h ALA 548 Cb 1.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1n60 h ALA 548 CO 0.58 0.05 0.00 -0.44 0.00 0.00 0.00 179.25 179.44 1n60 h ASP 549 N 0.82 0.00 -0.27 0.00 3.32 -1.89 -1.67 116.42 116.73 1n60 h ASP 549 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1n60 h ASP 549 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1n60 h ASP 549 CO -0.24 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.75 1n60 n ASP 550 N -2.44 1.81 -4.18 6.45 8.00 0.64 -4.84 116.55 121.98 1n60 n ASP 550 Ca -0.00 -1.86 -0.30 0.00 0.71 0.00 0.00 54.79 53.34 1n60 n ASP 550 Cb 0.13 -0.18 -0.17 0.00 -0.02 0.00 0.00 41.12 40.89 1n60 n ASP 550 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1n60 s ILE 551 N -1.65 1.87 -0.19 0.53 1.01 -0.63 -0.82 121.20 121.32 1n60 s ILE 551 Ca 0.28 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1n60 s ILE 551 Cb 0.15 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1n60 s ILE 551 CO 0.21 0.52 0.05 -0.32 0.00 0.00 0.00 174.94 175.40 1n60 s MET 552 N 0.38 3.86 -0.14 2.79 -2.45 0.32 -4.97 119.30 119.10 1n60 s MET 552 Ca -0.17 -0.40 -0.03 0.00 -1.25 0.00 0.00 55.69 53.83 1n60 s MET 552 Cb -0.17 -3.20 -0.03 0.00 1.25 0.00 0.00 34.83 32.68 1n60 s MET 552 CO 0.08 0.17 -0.02 0.42 1.05 0.00 0.00 175.02 176.72 1n60 s ILE 553 N 0.65 4.10 0.06 10.11 -1.09 -1.26 -0.75 121.20 133.04 1n60 s ILE 553 Ca 0.02 -0.29 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1n60 s ILE 553 Cb -0.13 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1n60 s ILE 553 CO 0.02 0.52 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.51 1n60 s GLU 554 N -0.01 0.78 0.02 2.79 2.02 -0.21 -4.86 118.70 119.23 1n60 s GLU 554 Ca 0.02 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 1n60 s GLU 554 Cb -0.13 -0.76 0.00 0.00 0.10 0.00 0.00 34.13 33.34 1n60 s GLU 554 CO 0.02 0.17 0.16 -1.21 0.02 0.00 0.00 175.26 174.42 1n60 s GLU 555 N -1.66 0.57 0.00 1.61 2.02 -1.26 -2.46 118.70 117.52 1n60 s GLU 555 Ca -0.03 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.47 1n60 s GLU 555 Cb -0.10 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1n60 s GLU 555 CO 0.02 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.56 1n60 n GLY 556 N 1.14 0.57 3.36 -1.39 0.00 -1.26 -4.88 105.19 102.72 1n60 n GLY 556 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1n60 n GLY 556 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1n60 s ASN 557 N -1.99 5.74 0.42 1.61 3.84 -1.26 -0.30 114.94 123.00 1n60 s ASN 557 Ca 0.00 -1.08 0.29 0.00 0.21 0.00 0.00 52.86 52.28 1n60 s ASN 557 Cb 0.00 -2.02 1.19 0.00 -0.55 0.00 0.00 41.25 39.87 1n60 s ASN 557 CO 0.00 -0.42 1.86 0.71 -2.79 0.00 0.00 177.10 176.47 1n60 h THR 558 N 5.91 0.00 0.00 -5.21 1.35 -1.51 0.48 112.91 113.93 1n60 h THR 558 Ca -0.25 -0.40 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 1n60 h THR 558 Cb 1.10 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1n60 h THR 558 CO 0.69 0.00 -0.42 0.44 -0.25 0.00 0.00 175.52 175.97 1n60 h ASP 559 N 0.00 0.00 0.00 5.36 3.32 -1.88 -3.39 116.42 119.82 1n60 h ASP 559 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1n60 h ASP 559 Cb 0.46 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1n60 h ASP 559 CO 0.00 0.42 -1.59 0.35 -1.72 0.00 0.00 179.24 176.70 1n60 n THR 560 N -3.76 0.59 -2.40 0.35 -2.24 -0.55 -5.01 114.28 101.25 1n60 n THR 560 Ca -0.01 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.22 1n60 n THR 560 Cb 0.49 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1n60 n THR 560 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n60 s ALA 561 N -2.20 2.91 0.68 6.98 0.00 0.05 -5.00 121.76 125.18 1n60 s ALA 561 Ca -0.14 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1n60 s ALA 561 Cb 0.04 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.86 1n60 s ALA 561 CO 0.22 -0.48 1.17 -1.25 0.00 0.00 0.00 175.76 175.42 1n60 s PRO 562 N -2.94 2.52 0.27 0.00 0.04 -1.26 -4.81 135.00 128.83 1n60 s PRO 562 Ca 0.65 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1n60 s PRO 562 Cb -0.23 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.31 1n60 s PRO 562 CO 0.27 -1.51 1.53 -0.47 0.04 0.00 0.00 177.00 176.86 1n60 s TYR 563 N -2.04 2.86 0.35 0.56 6.14 -1.26 -3.80 117.35 120.17 1n60 s TYR 563 Ca 0.72 0.87 -0.03 0.00 0.64 0.00 0.00 57.07 59.27 1n60 s TYR 563 Cb -0.26 -3.97 0.00 0.00 0.42 0.00 0.00 41.96 38.15 1n60 s TYR 563 CO 0.41 -3.24 0.49 0.20 0.64 0.00 0.00 175.55 174.05 1n60 s GLY 564 N 0.46 1.46 0.00 8.97 0.00 -1.25 -4.38 107.32 112.59 1n60 s GLY 564 Ca 0.62 -1.50 0.22 0.00 0.00 0.00 0.00 44.72 44.06 1n60 s GLY 564 CO 0.46 -0.98 1.19 1.04 0.00 0.00 0.00 173.10 174.80 1n60 n LEU 565 N -0.57 2.76 0.00 0.66 7.99 -1.22 -4.35 117.00 122.27 1n60 n LEU 565 Ca 0.01 -0.98 0.00 0.00 -0.01 0.00 0.00 56.01 55.03 1n60 n LEU 565 Cb 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1n60 n LEU 565 CO 0.30 0.47 0.00 0.61 -1.51 0.00 0.00 177.39 177.26 1n60 n GLY 566 N 1.26 -3.85 3.27 -0.72 0.00 -1.04 -4.75 105.19 99.37 1n60 n GLY 566 Ca 0.13 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1n60 n GLY 566 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n60 s THR 567 N -0.84 3.57 0.08 2.61 2.01 -0.30 -4.62 115.64 118.14 1n60 s THR 567 Ca 0.00 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.76 1n60 s THR 567 Cb 0.00 -2.91 0.09 0.00 0.01 0.00 0.00 72.50 69.69 1n60 s THR 567 CO 0.00 0.01 1.13 -0.72 -0.69 0.00 0.00 174.62 174.35 1n60 s TYR 568 N 1.41 -0.05 -1.76 4.92 -0.85 -1.26 -4.80 117.35 114.96 1n60 s TYR 568 Ca -0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 1n60 s TYR 568 Cb -0.18 0.60 0.00 0.00 0.38 0.00 0.00 41.96 42.76 1n60 s TYR 568 CO 0.01 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 1n60 n GLY 569 N -0.54 0.59 3.32 5.49 0.00 -1.26 -1.47 105.19 111.32 1n60 n GLY 569 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 1n60 n GLY 569 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n60 n SER 570 N -1.54 -4.00 0.02 1.61 7.64 -1.26 -3.25 113.62 112.84 1n60 n SER 570 Ca -0.20 -0.38 0.12 0.00 1.01 0.00 0.00 58.87 59.42 1n60 n SER 570 Cb 0.64 -3.30 0.20 0.00 -1.01 0.00 0.00 64.21 60.74 1n60 n SER 570 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1n60 n ARG 571 N -3.76 0.10 -0.15 1.43 1.85 -0.54 -4.23 116.66 111.36 1n60 n ARG 571 Ca -0.03 0.02 -0.09 0.00 -1.00 0.00 0.00 57.85 56.75 1n60 n ARG 571 Cb 0.55 -1.55 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 1n60 n ARG 571 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1n60 h SER 572 N 0.00 0.67 -0.13 2.89 0.02 -1.86 -0.24 113.55 114.90 1n60 h SER 572 Ca 0.00 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 1n60 h SER 572 Cb 0.58 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1n60 h SER 572 CO 0.00 0.75 -0.15 0.74 -1.14 0.00 0.00 176.83 177.02 1n60 h THR 573 N 0.57 1.36 -0.72 -2.27 2.02 -1.92 0.12 112.91 112.06 1n60 h THR 573 Ca 0.13 -1.35 0.09 0.00 0.77 0.00 0.00 66.41 66.06 1n60 h THR 573 Cb 0.35 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.66 1n60 h THR 573 CO 0.01 0.39 0.48 -0.65 0.37 0.00 0.00 175.52 176.11 1n60 h PRO 574 N -0.06 0.62 0.00 6.66 0.11 -1.74 -2.82 132.00 134.77 1n60 h PRO 574 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1n60 h PRO 574 Cb 0.70 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1n60 h PRO 574 CO 0.04 0.41 0.00 0.25 -0.21 0.00 0.00 178.00 178.49 1n60 n THR 575 N -4.49 0.00 0.22 -1.15 -2.24 -0.11 -4.06 114.28 102.44 1n60 n THR 575 Ca 0.12 0.27 0.06 0.00 -2.27 0.00 0.00 64.05 62.23 1n60 n THR 575 Cb 0.32 -1.24 0.49 0.00 -2.10 0.00 0.00 70.33 67.80 1n60 n THR 575 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n60 h ALA 576 N -1.46 1.40 -0.55 6.98 0.00 -1.41 -0.30 119.26 123.91 1n60 h ALA 576 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 1n60 h ALA 576 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n60 h ALA 576 CO 0.00 0.33 -0.10 0.78 0.00 0.00 0.00 179.25 180.26 1n60 h GLY 577 N 1.00 1.13 0.90 0.00 0.00 -0.56 0.20 103.07 105.73 1n60 h GLY 577 Ca -0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.42 1n60 h GLY 577 CO 0.03 0.83 -0.12 0.00 0.00 0.00 0.00 176.54 177.28 1n60 h ALA 578 N 0.94 -0.27 -0.77 3.60 0.00 -1.24 -2.32 119.26 119.20 1n60 h ALA 578 Ca 0.15 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1n60 h ALA 578 Cb 0.67 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1n60 h ALA 578 CO 0.05 -0.67 0.51 0.00 0.00 0.00 0.00 179.25 179.14 1n60 h ALA 579 N 0.53 1.61 -0.32 0.00 0.00 -0.70 -0.51 119.26 119.86 1n60 h ALA 579 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n60 h ALA 579 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1n60 h ALA 579 CO -0.00 0.29 0.11 1.15 0.00 0.00 0.00 179.25 180.79 1n60 h THR 580 N 0.87 1.20 -0.58 0.00 2.02 -0.44 0.13 112.91 116.11 1n60 h THR 580 Ca 0.32 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1n60 h THR 580 Cb 0.17 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1n60 h THR 580 CO -0.11 0.22 0.19 0.00 0.37 0.00 0.00 175.52 176.19 1n60 h ALA 581 N 0.95 0.75 -0.36 6.16 0.00 -0.83 -0.48 119.26 125.44 1n60 h ALA 581 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1n60 h ALA 581 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1n60 h ALA 581 CO -0.00 0.41 -0.06 0.28 0.00 0.00 0.00 179.25 179.87 1n60 h VAL 582 N 0.81 1.27 -0.55 0.00 2.07 -0.89 0.55 116.25 119.50 1n60 h VAL 582 Ca 0.19 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1n60 h VAL 582 Cb 0.27 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1n60 h VAL 582 CO -0.01 0.37 0.20 0.00 0.02 0.00 0.00 177.57 178.15 1n60 h ALA 583 N 0.84 0.72 -0.50 1.67 0.00 -0.66 -1.43 119.26 119.89 1n60 h ALA 583 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1n60 h ALA 583 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1n60 h ALA 583 CO 0.03 0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.73 1n60 h ALA 584 N 1.05 1.24 -0.20 0.00 0.00 -0.80 -1.83 119.26 118.73 1n60 h ALA 584 Ca 0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n60 h ALA 584 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n60 h ALA 584 CO -0.01 0.52 -0.22 0.00 0.00 0.00 0.00 179.25 179.54 1n60 h ARG 585 N 0.74 0.35 -0.51 0.00 3.08 -0.47 0.53 114.38 118.11 1n60 h ARG 585 Ca 0.16 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1n60 h ARG 585 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1n60 h ARG 585 CO 0.00 0.55 0.26 0.87 -1.07 0.00 0.00 179.97 180.59 1n60 h LYS 586 N 0.32 0.72 -0.71 0.04 1.57 -0.47 -0.67 116.57 117.36 1n60 h LYS 586 Ca 0.05 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1n60 h LYS 586 Cb 0.56 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1n60 h LYS 586 CO 0.04 0.58 0.41 0.82 -0.57 0.00 0.00 179.45 180.72 1n60 h ILE 587 N 0.67 1.21 -0.78 1.86 2.04 -0.77 -1.94 117.51 119.81 1n60 h ILE 587 Ca 0.18 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1n60 h ILE 587 Cb 0.08 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 1n60 h ILE 587 CO -0.03 0.23 0.34 0.50 0.00 0.00 0.00 178.15 179.19 1n60 h LYS 588 N 0.98 1.14 -0.78 2.37 3.64 -0.61 0.67 116.57 123.98 1n60 h LYS 588 Ca 0.25 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1n60 h LYS 588 Cb 0.01 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1n60 h LYS 588 CO -0.04 0.91 0.29 0.00 -2.27 0.00 0.00 179.45 178.34 1n60 h ALA 589 N 1.24 1.04 -0.26 5.00 0.00 -0.77 0.91 119.26 126.42 1n60 h ALA 589 Ca 0.26 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1n60 h ALA 589 Cb 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1n60 h ALA 589 CO -0.03 0.67 -0.13 -0.22 0.00 0.00 0.00 179.25 179.54 1n60 h LYS 590 N 1.14 0.55 -0.85 0.00 3.64 -0.70 -2.42 116.57 117.94 1n60 h LYS 590 Ca 0.26 -0.24 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1n60 h LYS 590 Cb 0.24 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1n60 h LYS 590 CO -0.02 0.81 0.55 0.00 -2.27 0.00 0.00 179.45 178.52 1n60 h ALA 591 N 0.73 1.70 -0.56 5.00 0.00 -0.58 -0.40 119.26 125.16 1n60 h ALA 591 Ca 0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1n60 h ALA 591 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1n60 h ALA 591 CO 0.04 0.13 -0.06 0.37 0.00 0.00 0.00 179.25 179.72 1n60 h GLN 592 N 0.81 1.01 -0.59 0.00 4.15 -0.56 0.12 115.11 120.05 1n60 h GLN 592 Ca 0.40 -0.34 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1n60 h GLN 592 Cb 0.44 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1n60 h GLN 592 CO -0.16 1.03 0.27 0.52 -1.93 0.00 0.00 178.83 178.55 1n60 h MET 593 N 0.91 0.86 -0.49 1.69 2.86 -0.84 -0.74 114.93 119.18 1n60 h MET 593 Ca 0.15 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1n60 h MET 593 Cb 0.61 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1n60 h MET 593 CO 0.04 0.71 0.24 0.82 1.06 0.00 0.00 176.91 179.78 1n60 h ILE 594 N 0.81 1.19 -0.73 -1.22 2.04 -0.64 -1.95 117.51 117.01 1n60 h ILE 594 Ca 0.20 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1n60 h ILE 594 Cb 0.14 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1n60 h ILE 594 CO -0.02 0.21 0.48 0.00 0.00 0.00 0.00 178.15 178.82 1n60 h ALA 595 N 1.08 0.92 -0.69 1.87 0.00 -0.53 -0.94 119.26 120.98 1n60 h ALA 595 Ca 0.17 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1n60 h ALA 595 Cb 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1n60 h ALA 595 CO -0.02 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.74 1n60 h ALA 596 N 1.27 1.00 -0.33 0.00 0.00 -0.91 0.13 119.26 120.43 1n60 h ALA 596 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1n60 h ALA 596 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1n60 h ALA 596 CO -0.06 0.65 0.11 1.25 0.00 0.00 0.00 179.25 181.20 1n60 h HIS 597 N 1.04 0.52 -0.40 0.00 6.17 -0.72 -0.35 115.15 121.41 1n60 h HIS 597 Ca 0.22 -0.05 -0.13 0.00 0.71 0.00 0.00 60.37 61.12 1n60 h HIS 597 Cb 0.36 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.12 1n60 h HIS 597 CO 0.03 0.52 -0.26 0.52 0.71 0.00 0.00 177.93 179.45 1n60 h MET 598 N 0.37 0.84 -0.00 5.26 2.86 -0.81 -2.99 114.93 120.46 1n60 h MET 598 Ca 0.11 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1n60 h MET 598 Cb 0.24 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1n60 h MET 598 CO -0.00 1.00 -0.27 1.28 1.06 0.00 0.00 176.91 179.97 1n60 n LEU 599 N -4.10 0.74 -3.07 1.22 4.77 0.43 -4.95 117.00 112.05 1n60 n LEU 599 Ca -0.00 -0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.69 1n60 n LEU 599 Cb 0.46 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1n60 n LEU 599 CO 0.46 0.15 0.17 -0.62 -1.33 0.00 0.00 177.39 176.21 1n60 n GLU 600 N -0.95 -6.28 -4.40 3.23 1.02 -0.21 -5.01 120.64 108.03 1n60 n GLU 600 Ca 0.11 0.70 -0.22 0.00 -0.02 0.00 0.00 57.16 57.73 1n60 n GLU 600 Cb 0.33 -5.33 -0.08 0.00 -0.02 0.00 0.00 31.44 26.34 1n60 n GLU 600 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1n60 s VAL 601 N -3.28 0.38 0.40 2.62 -7.23 -0.79 -5.06 120.40 107.44 1n60 s VAL 601 Ca 0.32 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 1n60 s VAL 601 Cb -0.14 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.29 1n60 s VAL 601 CO 0.61 0.00 0.80 -1.00 -0.31 0.00 0.00 175.10 175.20 1n60 s HIS 602 N -3.39 3.44 0.42 2.82 3.76 -1.26 -4.50 115.29 116.58 1n60 s HIS 602 Ca 0.32 1.17 0.14 0.00 -0.15 0.00 0.00 55.06 56.53 1n60 s HIS 602 Cb 0.03 -2.53 1.02 0.00 1.11 0.00 0.00 32.58 32.21 1n60 s HIS 602 CO 0.19 -0.10 1.95 0.93 -0.85 0.00 0.00 174.74 176.85 1n60 h GLU 603 N 1.46 0.43 0.00 1.40 5.08 -1.92 -0.33 114.58 120.71 1n60 h GLU 603 Ca -0.47 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1n60 h GLU 603 Cb 1.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1n60 h GLU 603 CO 0.64 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 179.34 1n60 n GLY 604 N -1.51 -1.00 0.67 -3.84 0.00 -1.26 -1.71 105.19 96.53 1n60 n GLY 604 Ca 0.12 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1n60 n GLY 604 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n60 n ASP 605 N -1.64 2.03 -4.73 1.61 8.00 -0.13 -4.91 116.55 116.77 1n60 n ASP 605 Ca 0.03 -1.73 -0.32 0.00 0.71 0.00 0.00 54.79 53.48 1n60 n ASP 605 Cb 0.16 -0.09 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1n60 n ASP 605 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n60 s LEU 606 N -1.71 3.66 0.05 0.64 1.43 -0.69 -0.21 118.68 121.85 1n60 s LEU 606 Ca 0.34 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1n60 s LEU 606 Cb 0.19 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1n60 s LEU 606 CO 0.29 0.24 -0.13 -1.83 0.23 0.00 0.00 176.35 175.15 1n60 s GLU 607 N -1.88 0.83 -0.02 1.70 -1.05 0.02 -4.86 118.70 113.44 1n60 s GLU 607 Ca 0.23 -0.84 -0.17 0.00 -0.15 0.00 0.00 54.97 54.04 1n60 s GLU 607 Cb -0.12 -0.82 -0.05 0.00 -0.44 0.00 0.00 34.13 32.70 1n60 s GLU 607 CO 0.15 0.19 0.48 -0.46 0.95 0.00 0.00 175.26 176.56 1n60 s TRP 608 N -1.08 3.67 -0.49 4.83 -0.11 -1.26 -0.40 118.94 124.10 1n60 s TRP 608 Ca -0.01 1.03 0.05 0.00 1.22 0.00 0.00 56.10 58.39 1n60 s TRP 608 Cb -0.09 -2.44 0.18 0.00 -1.50 0.00 0.00 33.47 29.61 1n60 s TRP 608 CO 0.02 0.45 0.40 -3.47 -4.62 0.00 0.00 176.95 169.73 1n60 n ASP 609 N 2.48 0.48 0.00 5.86 2.03 0.30 -4.96 116.55 122.74 1n60 n ASP 609 Ca -0.10 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.59 1n60 n ASP 609 Cb 0.52 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1n60 n ASP 609 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n60 n VAL 610 N 2.50 0.00 -1.93 5.18 0.31 -1.26 -3.15 118.33 119.98 1n60 n VAL 610 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 1n60 n VAL 610 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1n60 n VAL 610 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1n60 n ASP 611 N 1.78 0.00 -3.50 4.52 5.75 -1.26 -3.73 116.55 120.11 1n60 n ASP 611 Ca 0.00 -1.44 -0.15 0.00 -0.01 0.00 0.00 54.79 53.20 1n60 n ASP 611 Cb 0.00 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1n60 n ASP 611 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n60 s ARG 612 N 0.00 1.06 -0.18 0.11 1.70 -1.19 -0.99 118.95 119.46 1n60 s ARG 612 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 55.73 55.10 1n60 s ARG 612 Cb 0.00 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 1n60 s ARG 612 CO 0.00 -0.38 0.33 -0.06 -1.08 0.00 0.00 175.30 174.11 1n60 s PHE 613 N -2.09 3.42 0.15 5.89 0.08 -0.12 -0.54 117.98 124.77 1n60 s PHE 613 Ca -0.05 0.60 0.08 0.00 0.12 0.00 0.00 56.93 57.67 1n60 s PHE 613 Cb -0.00 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1n60 s PHE 613 CO 0.01 0.13 -0.07 1.03 -0.10 0.00 0.00 175.22 176.22 1n60 s ARG 614 N 0.83 2.21 0.01 0.44 0.52 0.47 -0.91 118.95 122.52 1n60 s ARG 614 Ca 0.17 -1.11 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 1n60 s ARG 614 Cb -0.14 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1n60 s ARG 614 CO 0.06 0.47 1.10 0.08 0.02 0.00 0.00 175.30 177.03 1n60 s VAL 615 N -1.51 4.44 0.15 3.52 1.01 0.15 -0.80 120.40 127.36 1n60 s VAL 615 Ca 0.24 1.75 -0.32 0.00 0.00 0.00 0.00 61.98 63.66 1n60 s VAL 615 Cb -0.10 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1n60 s VAL 615 CO 0.16 0.11 1.77 0.29 0.00 0.00 0.00 175.10 177.43 1n60 n LYS 616 N 4.12 2.69 -0.02 2.72 5.02 0.70 -0.86 118.16 132.53 1n60 n LYS 616 Ca 0.08 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 1n60 n LYS 616 Cb 0.48 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 1n60 n LYS 616 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n60 n GLY 617 N 4.04 2.05 2.23 0.72 0.00 -1.26 -4.87 105.19 108.10 1n60 n GLY 617 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1n60 n GLY 617 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n60 n LEU 618 N 0.00 0.24 0.33 0.99 4.77 -0.04 -4.99 117.00 118.31 1n60 n LEU 618 Ca 0.00 -4.74 0.22 0.00 -0.03 0.00 0.00 56.01 51.46 1n60 n LEU 618 Cb 0.00 0.69 1.13 0.00 -2.33 0.00 0.00 43.42 42.91 1n60 n LEU 618 CO 0.00 2.15 1.16 1.55 -1.33 0.00 0.00 177.39 180.92 1n60 h PRO 619 N 3.58 0.00 0.00 3.23 0.13 -1.89 -0.08 132.00 136.96 1n60 h PRO 619 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1n60 h PRO 619 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1n60 h PRO 619 CO 0.46 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.28 1n60 h GLU 620 N 0.00 0.00 -4.47 0.86 9.09 -1.94 -3.39 114.58 114.73 1n60 h GLU 620 Ca -0.00 0.00 -0.72 0.00 0.05 0.00 0.00 59.36 58.69 1n60 h GLU 620 Cb 0.07 0.00 -0.21 0.00 -1.65 0.00 0.00 28.75 26.95 1n60 h GLU 620 CO 0.00 0.00 -0.37 0.15 0.05 0.00 0.00 179.01 178.84 1n60 s LYS 621 N -3.36 2.98 0.12 1.06 -0.14 -0.04 -5.04 119.74 115.32 1n60 s LYS 621 Ca 0.04 -1.11 -0.20 0.00 -1.36 0.00 0.00 55.97 53.34 1n60 s LYS 621 Cb 0.09 -4.03 0.05 0.00 -1.68 0.00 0.00 37.83 32.26 1n60 s LYS 621 CO 0.39 -0.86 0.49 -0.59 -0.76 0.00 0.00 175.35 174.03 1n60 s PHE 622 N 1.71 -0.36 -0.05 3.18 -0.71 -1.26 -0.68 117.98 119.82 1n60 s PHE 622 Ca 0.05 0.16 0.02 0.00 -1.04 0.00 0.00 56.93 56.12 1n60 s PHE 622 Cb -0.21 0.38 0.02 0.00 -1.21 0.00 0.00 43.02 42.00 1n60 s PHE 622 CO 0.09 -0.74 -0.07 0.15 -1.34 0.00 0.00 175.22 173.31 1n60 s LYS 623 N -3.50 1.12 0.63 1.99 -0.14 -0.09 -4.99 119.74 114.77 1n60 s LYS 623 Ca 0.01 -0.23 -0.12 0.00 -1.36 0.00 0.00 55.97 54.27 1n60 s LYS 623 Cb 0.00 -1.02 -0.03 0.00 -1.68 0.00 0.00 37.83 35.10 1n60 s LYS 623 CO -0.10 -0.02 1.03 0.95 -0.76 0.00 0.00 175.35 176.45 1n60 s THR 624 N 0.73 4.49 0.29 2.17 -4.23 -1.26 -0.94 115.64 116.89 1n60 s THR 624 Ca -0.12 0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 1n60 s THR 624 Cb -0.14 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.25 1n60 s THR 624 CO 0.01 -1.01 1.93 -0.03 -0.54 0.00 0.00 174.62 174.99 1n60 h MET 625 N -0.28 1.09 -0.42 3.99 4.05 -1.35 0.38 114.93 122.39 1n60 h MET 625 Ca -0.44 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 58.93 1n60 h MET 625 Cb 1.20 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.72 1n60 h MET 625 CO 0.60 0.72 0.24 -0.22 0.23 0.00 0.00 176.91 178.49 1n60 h LYS 626 N 1.13 0.47 -0.63 0.39 3.64 -1.89 0.48 116.57 120.16 1n60 h LYS 626 Ca 0.36 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1n60 h LYS 626 Cb 0.02 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1n60 h LYS 626 CO -0.11 0.31 0.28 0.93 -2.27 0.00 0.00 179.45 178.60 1n60 h GLU 627 N 0.49 0.90 -0.32 1.90 5.08 -1.67 -2.22 114.58 118.74 1n60 h GLU 627 Ca 0.17 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1n60 h GLU 627 Cb 0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1n60 h GLU 627 CO -0.08 0.71 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.24 1n60 h LEU 628 N 0.90 0.72 -0.36 1.33 3.38 -0.25 -0.38 115.31 120.65 1n60 h LEU 628 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1n60 h LEU 628 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1n60 h LEU 628 CO -0.03 0.99 0.21 0.00 0.09 0.00 0.00 178.44 179.70 1n60 h ALA 629 N 1.05 0.46 -0.53 1.53 0.00 -0.60 0.03 119.26 121.21 1n60 h ALA 629 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1n60 h ALA 629 Cb 0.84 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1n60 h ALA 629 CO 0.07 -0.03 0.20 2.35 0.00 0.00 0.00 179.25 181.85 1n60 h TRP 630 N 0.46 0.81 -0.67 0.00 2.91 -1.20 -2.55 115.95 115.71 1n60 h TRP 630 Ca 0.13 -0.06 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1n60 h TRP 630 Cb 0.03 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 28.40 1n60 h TRP 630 CO -0.03 0.67 0.44 0.00 -1.03 0.00 0.00 178.44 178.49 1n60 h ALA 631 N 1.05 1.65 0.00 2.65 0.00 -0.72 0.86 119.26 124.75 1n60 h ALA 631 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n60 h ALA 631 Cb 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n60 h ALA 631 CO -0.01 0.28 -0.05 0.66 0.00 0.00 0.00 179.25 180.13 1n60 h SER 632 N 0.78 0.00 0.11 0.00 4.64 -0.56 0.27 113.55 118.79 1n60 h SER 632 Ca 0.27 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.23 1n60 h SER 632 Cb 0.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.13 1n60 h SER 632 CO -0.08 0.05 -2.24 -1.22 -0.87 0.00 0.00 176.83 172.47 1n60 n TYR 633 N -3.68 0.35 -0.01 4.77 4.02 -0.53 -0.98 117.16 121.10 1n60 n TYR 633 Ca -0.02 0.10 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 1n60 n TYR 633 Cb 0.15 -1.06 -0.14 0.00 -0.02 0.00 0.00 39.34 38.27 1n60 n TYR 633 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1n60 n ASN 634 N -3.04 1.76 -3.05 7.72 2.85 0.18 -4.63 115.26 117.05 1n60 n ASN 634 Ca -0.34 0.25 -0.18 0.00 -0.11 0.00 0.00 54.58 54.21 1n60 n ASN 634 Cb 1.08 -0.61 -0.02 0.00 1.24 0.00 0.00 39.78 41.47 1n60 n ASN 634 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1n60 n SER 635 N -3.35 -0.58 -4.72 1.20 2.88 0.92 -5.03 113.62 104.94 1n60 n SER 635 Ca -0.28 -3.00 -0.43 0.00 -1.33 0.00 0.00 58.87 53.83 1n60 n SER 635 Cb 1.05 0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 64.63 1n60 n SER 635 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1n60 n PRO 636 N 1.08 2.66 -1.70 -1.46 -0.04 -1.11 -4.70 135.00 129.72 1n60 n PRO 636 Ca 0.18 0.96 -0.42 0.00 -0.04 0.00 0.00 63.50 64.18 1n60 n PRO 636 Cb 0.60 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1n60 n PRO 636 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1n60 n PRO 637 N 3.47 2.04 -0.34 0.54 -0.02 -1.26 -4.85 135.00 134.57 1n60 n PRO 637 Ca 0.15 0.72 0.24 0.00 -2.02 0.00 0.00 63.50 62.58 1n60 n PRO 637 Cb 0.34 -2.36 0.51 0.00 -0.02 0.00 0.00 33.50 31.97 1n60 n PRO 637 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n60 h PRO 638 N 2.32 0.37 0.00 0.52 0.11 -2.01 -1.95 132.00 131.36 1n60 h PRO 638 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n60 h PRO 638 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1n60 h PRO 638 CO 0.61 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.73 1n60 n ASN 639 N -4.71 0.00 -4.62 -2.05 5.03 -1.26 -4.89 115.26 102.77 1n60 n ASN 639 Ca 0.28 0.07 -0.27 0.00 0.87 0.00 0.00 54.58 55.52 1n60 n ASN 639 Cb 0.94 -0.35 -0.09 0.00 -1.02 0.00 0.00 39.78 39.26 1n60 n ASN 639 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n60 s LEU 640 N -2.71 3.15 0.49 3.41 1.43 -0.73 -5.11 118.68 118.61 1n60 s LEU 640 Ca 0.24 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 1n60 s LEU 640 Cb 0.20 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 1n60 s LEU 640 CO 0.48 0.10 1.06 -1.61 0.23 0.00 0.00 176.35 176.61 1n60 s GLU 641 N -2.82 3.77 1.06 1.70 2.02 -1.26 -4.67 118.70 118.49 1n60 s GLU 641 Ca 0.26 1.42 -0.12 0.00 0.02 0.00 0.00 54.97 56.55 1n60 s GLU 641 Cb -0.09 -2.13 0.22 0.00 0.10 0.00 0.00 34.13 32.24 1n60 s GLU 641 CO 0.17 -0.47 1.07 -2.14 0.02 0.00 0.00 175.26 173.91 1n60 s PRO 642 N -3.16 -0.09 0.00 0.39 0.02 -1.26 -4.88 135.00 126.01 1n60 s PRO 642 Ca 0.67 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1n60 s PRO 642 Cb -0.18 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.70 1n60 s PRO 642 CO 0.22 -3.22 0.00 0.41 -0.33 0.00 0.00 177.00 174.08 1n60 n GLY 643 N 0.33 -0.93 3.04 0.52 0.00 -0.15 -4.96 105.19 103.04 1n60 n GLY 643 Ca 0.06 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1n60 n GLY 643 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n60 s LEU 644 N -1.78 -1.16 0.21 0.99 2.96 -1.26 -4.80 118.68 113.84 1n60 s LEU 644 Ca 0.00 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.29 1n60 s LEU 644 Cb 0.00 1.55 0.03 0.00 0.50 0.00 0.00 46.19 48.27 1n60 s LEU 644 CO 0.00 -0.28 0.58 -1.83 -1.32 0.00 0.00 176.35 173.50 1n60 s GLU 645 N 2.35 1.45 0.16 1.98 -1.05 -1.26 -0.92 118.70 121.41 1n60 s GLU 645 Ca 0.12 -0.81 -0.23 0.00 -0.15 0.00 0.00 54.97 53.90 1n60 s GLU 645 Cb -0.10 0.55 0.07 0.00 -0.44 0.00 0.00 34.13 34.21 1n60 s GLU 645 CO -0.20 -0.63 0.64 0.00 0.95 0.00 0.00 175.26 176.01 1n60 s ALA 646 N -3.86 -1.57 0.06 -0.84 0.00 -0.08 -4.76 121.76 110.71 1n60 s ALA 646 Ca 0.08 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.53 1n60 s ALA 646 Cb -0.02 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1n60 s ALA 646 CO -0.03 -0.80 -0.16 0.08 0.00 0.00 0.00 175.76 174.86 1n60 s VAL 647 N -3.72 1.26 -0.01 0.00 1.01 -1.26 -0.53 120.40 117.15 1n60 s VAL 647 Ca 0.02 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1n60 s VAL 647 Cb -0.02 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1n60 s VAL 647 CO -0.10 -0.07 0.00 0.21 0.00 0.00 0.00 175.10 175.13 1n60 s ASN 648 N -1.50 0.14 -0.24 3.32 3.84 -0.18 -4.77 114.94 115.55 1n60 s ASN 648 Ca 0.02 -0.00 -0.05 0.00 0.21 0.00 0.00 52.86 53.03 1n60 s ASN 648 Cb -0.09 -0.06 -0.01 0.00 -0.55 0.00 0.00 41.25 40.54 1n60 s ASN 648 CO 0.02 -0.04 0.00 -0.31 -2.79 0.00 0.00 177.10 173.98 1n60 s TYR 649 N 0.44 3.02 -0.34 0.43 1.51 -1.26 -1.33 117.35 119.82 1n60 s TYR 649 Ca -0.04 -0.88 -0.09 0.00 -1.01 0.00 0.00 57.07 55.05 1n60 s TYR 649 Cb -0.06 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1n60 s TYR 649 CO -0.01 -0.53 0.16 -0.47 -1.11 0.00 0.00 175.55 173.59 1n60 s TYR 650 N 1.50 3.21 -0.50 2.71 5.04 0.76 -4.94 117.35 125.13 1n60 s TYR 650 Ca 0.05 -0.91 -0.18 0.00 -2.44 0.00 0.00 57.07 53.59 1n60 s TYR 650 Cb -0.15 -2.36 0.06 0.00 0.35 0.00 0.00 41.96 39.86 1n60 s TYR 650 CO -0.01 -0.59 0.57 0.34 -1.34 0.00 0.00 175.55 174.52 1n60 s ASP 651 N 1.54 6.20 0.49 4.32 -1.08 -1.26 -2.26 116.67 124.62 1n60 s ASP 651 Ca 0.02 -1.02 -0.22 0.00 -0.52 0.00 0.00 52.55 50.82 1n60 s ASP 651 Cb -0.18 -2.26 -0.07 0.00 -1.46 0.00 0.00 42.92 38.95 1n60 s ASP 651 CO 0.05 -0.83 1.16 -2.16 0.52 0.00 0.00 175.17 173.91 1n60 s PRO 652 N 2.37 3.63 0.37 4.34 0.04 -1.26 -4.92 135.00 139.57 1n60 s PRO 652 Ca 0.12 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.09 1n60 s PRO 652 Cb -0.20 -2.29 0.37 0.00 0.04 0.00 0.00 34.50 32.42 1n60 s PRO 652 CO 0.11 -0.65 1.59 -1.00 0.04 0.00 0.00 177.00 177.09 1n60 h PRO 653 N 1.79 0.00 -2.95 0.56 0.13 -1.94 -3.28 132.00 126.30 1n60 h PRO 653 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1n60 h PRO 653 Cb 1.25 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1n60 h PRO 653 CO 0.59 0.28 0.25 1.21 -0.23 0.00 0.00 178.00 180.09 1n60 s ASN 654 N -6.30 -0.29 1.01 1.44 2.47 -1.26 -4.86 114.94 107.15 1n60 s ASN 654 Ca 0.04 -0.52 -0.13 0.00 0.42 0.00 0.00 52.86 52.67 1n60 s ASN 654 Cb 0.07 0.70 0.20 0.00 -1.45 0.00 0.00 41.25 40.77 1n60 s ASN 654 CO 0.69 -1.27 1.11 -0.04 -3.72 0.00 0.00 177.10 173.87 1n60 s MET 655 N -3.85 0.30 0.09 0.43 -1.94 -1.26 -4.77 119.30 108.28 1n60 s MET 655 Ca 0.10 0.34 0.03 0.00 -1.71 0.00 0.00 55.69 54.45 1n60 s MET 655 Cb -0.05 -1.74 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 1n60 s MET 655 CO 0.04 -2.78 0.08 0.95 -0.01 0.00 0.00 175.02 173.31 1n60 s THR 656 N -3.06 4.53 -0.54 2.05 -4.23 0.21 -4.75 115.64 109.84 1n60 s THR 656 Ca 0.66 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 60.43 1n60 s THR 656 Cb -0.16 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.69 1n60 s THR 656 CO 0.56 0.10 0.52 -1.22 -0.54 0.00 0.00 174.62 174.04 1n60 n TYR 657 N 0.38 1.42 -1.07 3.99 4.02 -1.26 -0.58 117.16 124.06 1n60 n TYR 657 Ca -0.09 -3.84 -0.29 0.00 -0.01 0.00 0.00 57.90 53.68 1n60 n TYR 657 Cb 0.52 -0.31 0.18 0.00 -0.02 0.00 0.00 39.34 39.71 1n60 n TYR 657 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1n60 s PRO 658 N -1.22 0.40 0.24 -0.72 0.04 -1.25 -4.72 135.00 127.77 1n60 s PRO 658 Ca 0.33 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1n60 s PRO 658 Cb 0.07 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 1n60 s PRO 658 CO -0.13 -2.78 0.42 -0.59 0.04 0.00 0.00 177.00 173.96 1n60 s PHE 659 N -2.87 0.49 0.22 0.56 -0.71 -0.78 -0.77 117.98 114.11 1n60 s PHE 659 Ca 0.65 -0.82 -0.22 0.00 -1.04 0.00 0.00 56.93 55.50 1n60 s PHE 659 Cb -0.19 0.07 0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1n60 s PHE 659 CO 0.59 -0.94 0.71 0.20 -1.34 0.00 0.00 175.22 174.44 1n60 s GLY 660 N -3.04 -0.29 -0.21 1.99 0.00 -0.61 -0.62 107.32 104.54 1n60 s GLY 660 Ca 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.99 1n60 s GLY 660 CO 0.09 0.02 0.03 0.00 0.00 0.00 0.00 173.10 173.24 1n60 s ALA 661 N -3.77 1.16 -0.09 3.20 0.00 -0.05 -1.34 121.76 120.87 1n60 s ALA 661 Ca 0.08 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1n60 s ALA 661 Cb -0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 1n60 s ALA 661 CO -0.00 -1.23 -0.19 0.71 0.00 0.00 0.00 175.76 175.05 1n60 s TYR 662 N 1.78 2.64 -0.02 0.00 1.51 0.39 -1.59 117.35 122.06 1n60 s TYR 662 Ca -0.01 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1n60 s TYR 662 Cb -0.17 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1n60 s TYR 662 CO -0.10 -0.21 -0.13 -0.06 -1.11 0.00 0.00 175.55 173.95 1n60 s PHE 663 N 0.06 1.23 0.04 2.71 0.40 -0.30 -0.83 117.98 121.28 1n60 s PHE 663 Ca -0.08 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1n60 s PHE 663 Cb -0.15 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.53 1n60 s PHE 663 CO 0.05 -0.07 -0.04 0.00 0.70 0.00 0.00 175.22 175.87 1n60 s ILE 665 N -2.30 2.57 -0.07 0.00 1.01 -0.29 0.07 121.20 122.19 1n60 s ILE 665 Ca -0.07 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1n60 s ILE 665 Cb -0.04 -2.07 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1n60 s ILE 665 CO -0.04 0.52 -0.20 -0.32 0.00 0.00 0.00 174.94 174.91 1n60 s MET 666 N 0.71 2.33 -0.11 2.79 1.75 -0.16 0.05 119.30 126.66 1n60 s MET 666 Ca -0.08 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.63 1n60 s MET 666 Cb -0.16 -1.88 -0.03 0.00 2.84 0.00 0.00 34.83 35.60 1n60 s MET 666 CO 0.01 0.20 -0.02 -0.51 -0.65 0.00 0.00 175.02 174.06 1n60 s ASP 667 N 0.23 5.03 -0.05 1.11 1.01 -0.51 -0.46 116.67 123.03 1n60 s ASP 667 Ca -0.11 0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.21 1n60 s ASP 667 Cb -0.15 -1.53 0.01 0.00 1.01 0.00 0.00 42.92 42.26 1n60 s ASP 667 CO 0.05 0.31 -0.10 -0.63 0.21 0.00 0.00 175.17 175.01 1n60 s ILE 668 N -0.45 0.93 -0.42 0.77 1.01 0.68 -0.20 121.20 123.52 1n60 s ILE 668 Ca 0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 1n60 s ILE 668 Cb -0.12 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1n60 s ILE 668 CO 0.02 0.30 0.84 -0.62 0.00 0.00 0.00 174.94 175.48 1n60 s ASP 669 N 0.54 6.51 0.48 3.58 -1.08 -0.16 -0.85 116.67 125.69 1n60 s ASP 669 Ca -0.10 0.17 0.31 0.00 -0.52 0.00 0.00 52.55 52.41 1n60 s ASP 669 Cb -0.13 -2.41 1.31 0.00 -1.46 0.00 0.00 42.92 40.23 1n60 s ASP 669 CO 0.02 -0.88 1.93 -0.37 0.52 0.00 0.00 175.17 176.38 1n60 h VAL 670 N 5.92 0.00 0.03 1.11 -1.51 -1.58 0.17 116.25 120.39 1n60 h VAL 670 Ca -0.24 -0.41 -0.24 0.00 -1.23 0.00 0.00 66.70 64.57 1n60 h VAL 670 Cb 1.08 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 1n60 h VAL 670 CO 0.96 0.00 -1.22 0.44 -1.23 0.00 0.00 177.57 176.52 1n60 h ASP 671 N 0.00 0.10 0.00 4.19 3.32 -1.92 -3.36 116.42 118.76 1n60 h ASP 671 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1n60 h ASP 671 Cb 0.45 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1n60 h ASP 671 CO 0.00 1.10 -1.57 0.35 -1.72 0.00 0.00 179.24 177.40 1n60 n THR 672 N -3.33 0.00 -0.76 0.35 -2.24 -1.15 -4.96 114.28 102.19 1n60 n THR 672 Ca -0.06 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1n60 n THR 672 Cb 0.98 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1n60 n THR 672 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n60 n GLY 673 N 1.61 0.85 3.68 3.38 0.00 0.58 -4.51 105.19 110.78 1n60 n GLY 673 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1n60 n GLY 673 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n60 s VAL 674 N -3.33 4.41 -0.05 1.61 1.01 -1.21 -4.12 120.40 118.73 1n60 s VAL 674 Ca 0.00 1.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 1n60 s VAL 674 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1n60 s VAL 674 CO 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 175.10 175.14 1n60 s ALA 675 N 2.30 3.51 -0.06 5.51 0.00 -1.26 -0.99 121.76 130.77 1n60 s ALA 675 Ca 0.53 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1n60 s ALA 675 Cb -0.22 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.32 1n60 s ALA 675 CO 0.20 0.64 -0.02 0.21 0.00 0.00 0.00 175.76 176.79 1n60 s LYS 676 N -1.31 0.72 0.01 0.00 2.47 0.72 -4.99 119.74 117.36 1n60 s LYS 676 Ca 0.18 0.01 -0.30 0.00 -1.56 0.00 0.00 55.97 54.30 1n60 s LYS 676 Cb -0.12 -0.94 -0.06 0.00 -1.46 0.00 0.00 37.83 35.26 1n60 s LYS 676 CO 0.08 -0.22 1.46 0.99 0.16 0.00 0.00 175.35 177.83 1n60 s THR 677 N 1.55 3.57 -0.05 3.43 2.01 -1.26 -1.42 115.64 123.47 1n60 s THR 677 Ca -0.01 0.95 -0.09 0.00 0.31 0.00 0.00 61.69 62.85 1n60 s THR 677 Cb -0.13 -3.61 -0.30 0.00 0.01 0.00 0.00 72.50 68.47 1n60 s THR 677 CO -0.03 -0.01 0.65 -0.09 -0.69 0.00 0.00 174.62 174.44 1n60 h ARG 678 N 8.03 0.35 -2.13 4.92 2.43 -0.74 -3.48 114.38 123.77 1n60 h ARG 678 Ca -0.39 -0.60 -0.06 0.00 -0.81 0.00 0.00 59.98 58.13 1n60 h ARG 678 Cb 1.18 0.22 -0.21 0.00 -0.42 0.00 0.00 29.97 30.75 1n60 h ARG 678 CO 0.91 1.26 0.09 0.50 -1.51 0.00 0.00 179.97 181.22 1n60 s ARG 679 N -2.58 0.86 -0.04 0.20 3.52 -1.17 -4.98 118.95 114.76 1n60 s ARG 679 Ca -0.16 0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 56.11 1n60 s ARG 679 Cb 0.06 0.41 0.03 0.00 -1.56 0.00 0.00 34.95 33.89 1n60 s ARG 679 CO 0.84 -0.17 0.06 0.12 -0.81 0.00 0.00 175.30 175.35 1n60 s PHE 680 N -0.17 0.05 -0.12 5.12 2.19 -1.26 -1.13 117.98 122.66 1n60 s PHE 680 Ca -0.04 0.26 0.01 0.00 0.33 0.00 0.00 56.93 57.49 1n60 s PHE 680 Cb -0.03 -0.46 -0.01 0.00 -1.31 0.00 0.00 43.02 41.20 1n60 s PHE 680 CO 0.04 -0.19 -0.17 -0.47 1.83 0.00 0.00 175.22 176.26 1n60 s TYR 681 N 2.11 2.73 -0.24 10.12 5.04 0.18 -1.45 117.35 135.84 1n60 s TYR 681 Ca 0.04 -0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 53.86 1n60 s TYR 681 Cb -0.12 -1.80 0.07 0.00 0.35 0.00 0.00 41.96 40.46 1n60 s TYR 681 CO -0.03 -0.30 0.01 0.00 -1.34 0.00 0.00 175.55 173.90 1n60 s ALA 682 N 0.38 1.56 -0.23 3.97 0.00 0.06 -1.15 121.76 126.34 1n60 s ALA 682 Ca -0.13 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 1n60 s ALA 682 Cb -0.17 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1n60 s ALA 682 CO 0.06 -1.30 0.37 -1.17 0.00 0.00 0.00 175.76 173.72 1n60 s LEU 683 N 1.59 4.10 -0.03 0.00 0.20 -0.62 -0.94 118.68 122.98 1n60 s LEU 683 Ca -0.00 0.39 0.07 0.00 0.69 0.00 0.00 54.13 55.27 1n60 s LEU 683 Cb -0.18 -2.44 -0.02 0.00 -0.43 0.00 0.00 46.19 43.12 1n60 s LEU 683 CO -0.11 -0.11 -0.23 -1.81 -0.29 0.00 0.00 176.35 173.80 1n60 s ASP 684 N 1.30 3.26 -0.29 3.68 1.01 -0.59 -0.87 116.67 124.16 1n60 s ASP 684 Ca 0.16 -0.42 0.02 0.00 0.71 0.00 0.00 52.55 53.02 1n60 s ASP 684 Cb -0.15 -0.51 0.08 0.00 1.01 0.00 0.00 42.92 43.35 1n60 s ASP 684 CO 0.08 0.31 0.01 -0.62 0.21 0.00 0.00 175.17 175.17 1n60 s ASP 685 N -0.57 4.26 -0.34 0.27 -1.08 0.21 -3.43 116.67 115.99 1n60 s ASP 685 Ca 0.08 -1.65 0.07 0.00 -0.52 0.00 0.00 52.55 50.53 1n60 s ASP 685 Cb -0.11 -1.29 0.48 0.00 -1.46 0.00 0.00 42.92 40.55 1n60 s ASP 685 CO -0.00 -0.33 1.46 0.00 0.52 0.00 0.00 175.17 176.82 1n60 n GLY 687 N -0.99 0.72 3.73 0.00 0.00 -1.24 -0.84 105.19 106.57 1n60 n GLY 687 Ca 0.39 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1n60 n GLY 687 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n60 s THR 688 N 0.00 2.23 -0.30 2.61 -4.23 -0.81 -4.54 115.64 110.61 1n60 s THR 688 Ca 0.00 0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.57 1n60 s THR 688 Cb 0.00 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1n60 s THR 688 CO 0.00 0.02 0.24 -0.13 -0.54 0.00 0.00 174.62 174.21 1n60 s ARG 689 N 0.37 3.82 -0.00 3.99 0.52 -1.26 -4.41 118.95 121.97 1n60 s ARG 689 Ca 0.68 -0.36 -0.22 0.00 -0.52 0.00 0.00 55.73 55.31 1n60 s ARG 689 Cb -0.47 -3.71 -0.20 0.00 0.52 0.00 0.00 34.95 31.10 1n60 s ARG 689 CO 0.39 -0.28 1.17 0.82 0.02 0.00 0.00 175.30 177.41 1n60 h ILE 690 N 5.41 1.44 -2.24 1.52 2.04 -1.93 -3.13 117.51 120.63 1n60 h ILE 690 Ca -0.33 -1.74 -0.35 0.00 1.00 0.00 0.00 64.86 63.44 1n60 h ILE 690 Cb 1.18 2.39 -0.34 0.00 -0.74 0.00 0.00 36.82 39.30 1n60 h ILE 690 CO 0.59 0.49 -0.65 0.21 0.00 0.00 0.00 178.15 178.79 1n60 s ASN 691 N -6.35 1.91 0.48 1.72 3.84 -1.26 0.11 114.94 115.39 1n60 s ASN 691 Ca -0.15 -0.81 0.14 0.00 0.21 0.00 0.00 52.86 52.26 1n60 s ASN 691 Cb 0.03 0.39 1.14 0.00 -0.55 0.00 0.00 41.25 42.26 1n60 s ASN 691 CO 0.77 -0.39 2.08 -0.65 -2.79 0.00 0.00 177.10 176.11 1n60 h PRO 692 N 8.28 0.21 -0.31 0.43 0.11 -1.79 -0.98 132.00 137.95 1n60 h PRO 692 Ca -0.14 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 1n60 h PRO 692 Cb 1.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1n60 h PRO 692 CO 0.35 0.14 0.10 1.98 -0.21 0.00 0.00 178.00 180.36 1n60 h MET 693 N 0.22 0.48 -0.44 1.05 4.05 -1.92 -1.13 114.93 117.23 1n60 h MET 693 Ca 0.12 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 1n60 h MET 693 Cb 0.20 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1n60 h MET 693 CO -0.02 0.52 -0.05 0.82 0.23 0.00 0.00 176.91 178.40 1n60 h ILE 694 N 0.34 1.27 -0.32 1.77 2.04 -1.74 -2.12 117.51 118.75 1n60 h ILE 694 Ca 0.10 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.85 1n60 h ILE 694 Cb 0.24 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1n60 h ILE 694 CO -0.00 0.39 0.15 0.40 0.00 0.00 0.00 178.15 179.09 1n60 h ILE 695 N 0.66 0.98 -0.79 -0.67 2.04 -1.11 -0.86 117.51 117.76 1n60 h ILE 695 Ca 0.12 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1n60 h ILE 695 Cb 0.57 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1n60 h ILE 695 CO 0.03 0.06 0.49 -0.08 0.00 0.00 0.00 178.15 178.65 1n60 h GLU 696 N 0.32 0.89 -0.59 2.37 4.81 -1.01 -0.71 114.58 120.65 1n60 h GLU 696 Ca 0.13 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1n60 h GLU 696 Cb 0.06 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1n60 h GLU 696 CO -0.10 0.59 0.12 0.78 -0.73 0.00 0.00 179.01 179.67 1n60 h GLY 697 N 0.92 1.02 1.06 1.92 0.00 -0.82 -0.09 103.07 107.07 1n60 h GLY 697 Ca 0.34 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1n60 h GLY 697 CO -0.15 0.58 0.39 1.46 0.00 0.00 0.00 176.54 178.83 1n60 h GLN 698 N 0.90 1.21 -0.16 4.80 1.08 -0.36 -1.42 115.11 121.15 1n60 h GLN 698 Ca 0.19 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1n60 h GLN 698 Cb 0.36 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1n60 h GLN 698 CO 0.00 0.94 -0.05 0.28 -0.95 0.00 0.00 178.83 179.05 1n60 h VAL 699 N 1.20 1.29 -0.57 -0.54 2.07 -0.74 -0.75 116.25 118.21 1n60 h VAL 699 Ca 0.29 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1n60 h VAL 699 Cb 0.13 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1n60 h VAL 699 CO -0.03 0.30 0.23 0.45 0.02 0.00 0.00 177.57 178.54 1n60 h HIS 700 N 0.02 0.41 -0.26 1.57 3.86 -0.83 0.53 115.15 120.45 1n60 h HIS 700 Ca 0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1n60 h HIS 700 Cb 0.49 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1n60 h HIS 700 CO 0.05 0.14 0.12 0.78 0.86 0.00 0.00 177.93 179.88 1n60 h GLY 701 N 0.43 0.40 1.39 2.45 0.00 -1.13 -2.36 103.07 104.25 1n60 h GLY 701 Ca 0.27 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1n60 h GLY 701 CO -0.26 0.19 -0.21 -1.33 0.00 0.00 0.00 176.54 174.94 1n60 h GLY 702 N 0.28 0.77 1.41 4.60 0.00 -0.58 -2.10 103.07 107.45 1n60 h GLY 702 Ca 0.09 -0.64 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1n60 h GLY 702 CO -0.01 0.58 -0.10 1.41 0.00 0.00 0.00 176.54 178.42 1n60 h LEU 703 N 0.63 0.69 -0.64 3.11 3.38 -0.86 -0.45 115.31 121.17 1n60 h LEU 703 Ca 0.09 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1n60 h LEU 703 Cb 0.69 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1n60 h LEU 703 CO 0.05 0.83 0.11 0.74 0.09 0.00 0.00 178.44 180.26 1n60 h THR 704 N 0.65 1.26 -0.51 0.22 2.02 -1.12 -0.02 112.91 115.42 1n60 h THR 704 Ca 0.11 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 1n60 h THR 704 Cb 0.55 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1n60 h THR 704 CO 0.03 0.38 0.19 -0.33 0.37 0.00 0.00 175.52 176.16 1n60 h GLU 705 N 0.98 0.77 -0.47 6.66 5.08 -1.08 -0.73 114.58 125.78 1n60 h GLU 705 Ca 0.20 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1n60 h GLU 705 Cb 0.43 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1n60 h GLU 705 CO 0.01 0.69 0.28 0.00 -1.00 0.00 0.00 179.01 178.99 1n60 h ALA 706 N 1.04 0.60 -0.22 3.43 0.00 -0.74 0.12 119.26 123.48 1n60 h ALA 706 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1n60 h ALA 706 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1n60 h ALA 706 CO -0.01 -0.04 -0.08 0.35 0.00 0.00 0.00 179.25 179.47 1n60 h PHE 707 N 0.55 -0.20 -0.13 0.00 3.57 -0.85 -0.51 116.94 119.38 1n60 h PHE 707 Ca 0.19 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.73 1n60 h PHE 707 Cb 0.03 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1n60 h PHE 707 CO -0.07 -0.14 0.01 0.00 -2.23 0.00 0.00 178.31 175.88 1n60 h ALA 708 N 1.16 0.12 -0.04 2.41 0.00 -0.31 -0.93 119.26 121.66 1n60 h ALA 708 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n60 h ALA 708 Cb 0.22 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1n60 h ALA 708 CO -0.26 -0.44 0.03 0.28 0.00 0.00 0.00 179.25 178.85 1n60 h VAL 709 N 0.05 1.04 -0.32 0.00 2.07 -0.59 0.23 116.25 118.74 1n60 h VAL 709 Ca 0.06 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1n60 h VAL 709 Cb 0.07 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1n60 h VAL 709 CO -0.10 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.31 1n60 h ALA 710 N 0.97 1.03 0.00 1.67 0.00 -1.00 -3.34 119.26 118.59 1n60 h ALA 710 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1n60 h ALA 710 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1n60 h ALA 710 CO -0.00 0.58 -1.01 -1.33 0.00 0.00 0.00 179.25 177.49 1n60 n MET 711 N -4.13 1.14 0.00 0.00 2.00 -0.36 0.02 117.12 115.79 1n60 n MET 711 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.67 1n60 n MET 711 Cb 0.40 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.29 1n60 n MET 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n60 n GLY 712 N 1.42 0.01 3.77 3.03 0.00 -0.34 -2.45 105.19 110.63 1n60 n GLY 712 Ca 0.02 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1n60 n GLY 712 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n60 s GLN 713 N -0.63 4.37 -0.11 1.61 -0.21 0.65 -4.51 119.66 120.83 1n60 s GLN 713 Ca 0.00 1.97 -0.30 0.00 0.02 0.00 0.00 55.36 57.05 1n60 s GLN 713 Cb 0.00 -3.00 0.11 0.00 1.00 0.00 0.00 33.01 31.12 1n60 s GLN 713 CO 0.00 -0.09 0.88 -1.83 -2.12 0.00 0.00 175.29 172.13 1n60 s GLU 714 N -1.82 0.76 -0.14 2.91 -1.05 -1.26 -4.75 118.70 113.36 1n60 s GLU 714 Ca 0.50 0.15 0.02 0.00 -0.15 0.00 0.00 54.97 55.49 1n60 s GLU 714 Cb -0.34 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1n60 s GLU 714 CO 0.45 -0.24 -0.20 0.42 0.95 0.00 0.00 175.26 176.64 1n60 s ILE 715 N -1.26 2.32 0.29 1.83 -1.09 -0.56 -4.79 121.20 117.94 1n60 s ILE 715 Ca -0.04 -0.90 0.07 0.00 -2.23 0.00 0.00 60.65 57.55 1n60 s ILE 715 Cb -0.00 -1.94 -0.06 0.00 -1.58 0.00 0.00 42.46 38.88 1n60 s ILE 715 CO 0.04 0.54 -0.07 -0.13 -1.23 0.00 0.00 174.94 174.08 1n60 s ARG 716 N 0.68 1.60 -0.02 2.79 0.52 -0.84 -4.57 118.95 119.12 1n60 s ARG 716 Ca -0.09 -1.81 0.03 0.00 -0.52 0.00 0.00 55.73 53.34 1n60 s ARG 716 Cb -0.16 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.02 1n60 s ARG 716 CO 0.01 0.08 -0.10 0.71 0.02 0.00 0.00 175.30 176.02 1n60 s TYR 717 N -2.91 0.99 0.89 -0.53 1.51 -1.26 0.01 117.35 116.05 1n60 s TYR 717 Ca 0.30 -0.24 -0.10 0.00 -1.01 0.00 0.00 57.07 56.01 1n60 s TYR 717 Cb 0.03 -0.69 0.18 0.00 -0.11 0.00 0.00 41.96 41.37 1n60 s TYR 717 CO 0.13 -0.09 1.22 0.16 -1.11 0.00 0.00 175.55 175.85 1n60 s ASP 718 N 0.10 3.47 0.59 2.29 1.47 -0.58 -4.91 116.67 119.11 1n60 s ASP 718 Ca -0.02 -0.02 0.37 0.00 1.18 0.00 0.00 52.55 54.06 1n60 s ASP 718 Cb -0.08 -0.10 1.83 0.00 -0.34 0.00 0.00 42.92 44.22 1n60 s ASP 718 CO 0.00 -2.48 2.17 -0.33 0.68 0.00 0.00 175.17 175.21 1n60 h GLU 719 N -1.28 0.00 -0.01 2.11 5.08 -1.99 0.39 114.58 118.88 1n60 h GLU 719 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1n60 h GLU 719 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1n60 h GLU 719 CO 0.37 0.03 -0.08 1.04 -1.00 0.00 0.00 179.01 179.36 1n60 n GLN 720 N -3.23 1.34 -0.81 2.33 3.00 -1.26 -4.76 117.38 113.99 1n60 n GLN 720 Ca -0.01 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.22 1n60 n GLN 720 Cb 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.95 1n60 n GLN 720 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n60 n GLY 721 N 1.23 0.59 3.74 1.08 0.00 0.13 -4.54 105.19 107.41 1n60 n GLY 721 Ca 0.17 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1n60 n GLY 721 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n60 s ASN 722 N -2.10 6.86 -0.05 1.61 0.01 -1.26 -4.48 114.94 115.53 1n60 s ASN 722 Ca 0.00 2.47 -0.29 0.00 -0.71 0.00 0.00 52.86 54.33 1n60 s ASN 722 Cb 0.00 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.02 1n60 s ASN 722 CO 0.00 -0.53 0.94 0.54 -1.51 0.00 0.00 177.10 176.54 1n60 s VAL 723 N -0.14 4.87 -0.04 1.60 0.11 -1.26 -1.52 120.40 124.02 1n60 s VAL 723 Ca 0.55 1.94 0.06 0.00 -2.93 0.00 0.00 61.98 61.61 1n60 s VAL 723 Cb -0.37 -4.27 -0.02 0.00 -1.53 0.00 0.00 36.38 30.19 1n60 s VAL 723 CO 0.41 0.11 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.32 1n60 s LEU 724 N 1.38 2.32 -0.60 2.54 1.43 0.10 -4.66 118.68 121.20 1n60 s LEU 724 Ca 0.48 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1n60 s LEU 724 Cb -0.19 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1n60 s LEU 724 CO 0.22 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1n60 n GLY 725 N 2.45 0.81 2.57 -3.19 0.00 -1.26 -1.98 105.19 104.59 1n60 n GLY 725 Ca -0.17 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 1n60 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 n ALA 726 N 1.10 6.52 -3.59 4.61 0.00 -1.26 -3.27 120.51 124.63 1n60 n ALA 726 Ca -0.06 -3.93 -0.10 0.00 0.00 0.00 0.00 53.44 49.36 1n60 n ALA 726 Cb 0.19 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1n60 n ALA 726 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1n60 s SER 727 N -0.19 -0.39 0.00 0.00 1.04 -1.26 -4.49 113.70 108.40 1n60 s SER 727 Ca 0.52 -0.33 0.16 0.00 0.48 0.00 0.00 55.95 56.79 1n60 s SER 727 Cb 0.27 0.65 0.90 0.00 0.10 0.00 0.00 66.02 67.95 1n60 s SER 727 CO -0.18 -1.14 1.43 0.49 0.98 0.00 0.00 173.24 174.82 1n60 n PHE 728 N -0.41 0.00 0.18 5.02 3.72 -1.26 -0.57 117.46 124.14 1n60 n PHE 728 Ca -0.11 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.34 1n60 n PHE 728 Cb 0.62 -0.14 0.46 0.00 -0.94 0.00 0.00 39.48 39.48 1n60 n PHE 728 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 1n60 h MET 729 N 0.00 0.10 0.00 -1.08 2.86 -1.95 -3.38 114.93 111.47 1n60 h MET 729 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1n60 h MET 729 Cb 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1n60 h MET 729 CO 0.00 0.26 -0.50 -0.25 1.06 0.00 0.00 176.91 177.48 1n60 n ASP 730 N -4.31 2.49 -4.65 1.22 8.00 -0.68 -5.03 116.55 113.60 1n60 n ASP 730 Ca -0.02 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.06 1n60 n ASP 730 Cb 0.25 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1n60 n ASP 730 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1n60 s PHE 731 N -1.39 2.43 -0.75 1.24 5.36 0.26 -4.89 117.98 120.24 1n60 s PHE 731 Ca 0.00 0.68 -0.26 0.00 -0.96 0.00 0.00 56.93 56.40 1n60 s PHE 731 Cb 0.00 -3.80 -0.01 0.00 -0.34 0.00 0.00 43.02 38.87 1n60 s PHE 731 CO 0.00 -2.49 1.70 0.12 -1.46 0.00 0.00 175.22 173.09 1n60 s PHE 732 N 4.27 1.93 -0.27 10.12 5.36 -1.26 -4.72 117.98 133.40 1n60 s PHE 732 Ca 0.64 0.38 -0.05 0.00 -0.96 0.00 0.00 56.93 56.93 1n60 s PHE 732 Cb -0.24 -4.27 0.01 0.00 -0.34 0.00 0.00 43.02 38.18 1n60 s PHE 732 CO 0.23 -2.09 0.04 -0.51 -1.46 0.00 0.00 175.22 171.42 1n60 s LEU 733 N 8.08 3.59 0.46 6.12 1.43 -1.26 -4.51 118.68 132.59 1n60 s LEU 733 Ca 0.58 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.76 1n60 s LEU 733 Cb -0.09 -1.82 -0.07 0.00 0.03 0.00 0.00 46.19 44.24 1n60 s LEU 733 CO 0.11 -0.15 1.17 -2.16 0.23 0.00 0.00 176.35 175.55 1n60 s PRO 734 N 1.46 3.74 0.70 1.29 0.04 -1.26 -5.03 135.00 135.94 1n60 s PRO 734 Ca 0.02 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1n60 s PRO 734 Cb -0.17 -2.40 0.12 0.00 0.04 0.00 0.00 34.50 32.09 1n60 s PRO 734 CO 0.00 -0.57 0.96 0.95 0.04 0.00 0.00 177.00 178.39 1n60 s THR 735 N -1.54 2.15 0.58 1.26 -4.23 -1.26 -4.91 115.64 107.69 1n60 s THR 735 Ca 0.64 -0.65 0.28 0.00 -1.18 0.00 0.00 61.69 60.77 1n60 s THR 735 Cb -0.29 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.40 1n60 s THR 735 CO 0.35 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.60 1n60 h ALA 736 N -0.42 1.72 -0.25 3.99 0.00 -1.96 -1.97 119.26 120.37 1n60 h ALA 736 Ca -0.36 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1n60 h ALA 736 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n60 h ALA 736 CO 0.40 -0.14 -0.52 0.28 0.00 0.00 0.00 179.25 179.27 1n60 h VAL 737 N 0.00 1.29 0.00 0.00 2.07 -2.02 -3.29 116.25 114.30 1n60 h VAL 737 Ca 0.04 -1.72 -0.18 0.00 0.82 0.00 0.00 66.70 65.66 1n60 h VAL 737 Cb 0.23 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1n60 h VAL 737 CO -0.00 0.55 -0.93 -0.33 0.02 0.00 0.00 177.57 176.88 1n60 h GLU 738 N 0.55 0.00 -6.32 1.57 3.07 -1.80 -3.45 114.58 108.19 1n60 h GLU 738 Ca 0.01 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.32 1n60 h GLU 738 Cb 1.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1n60 h GLU 738 CO 0.12 0.73 0.88 0.99 -1.40 0.00 0.00 179.01 180.33 1n60 s THR 739 N -2.80 3.78 0.87 1.13 2.01 -0.79 -4.96 115.64 114.87 1n60 s THR 739 Ca 0.01 1.10 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 1n60 s THR 739 Cb 0.09 -3.71 0.11 0.00 0.01 0.00 0.00 72.50 69.00 1n60 s THR 739 CO 0.79 -0.03 1.12 -2.65 -0.69 0.00 0.00 174.62 173.16 1n60 n PRO 740 N 5.84 -0.14 -2.49 4.92 -0.02 -1.26 -4.96 135.00 136.89 1n60 n PRO 740 Ca 0.14 0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 1n60 n PRO 740 Cb 0.44 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 1n60 n PRO 740 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1n60 s LYS 741 N -4.29 4.61 -0.08 -0.52 1.02 -1.26 -5.04 119.74 114.18 1n60 s LYS 741 Ca 0.69 1.76 -0.00 0.00 0.02 0.00 0.00 55.97 58.45 1n60 s LYS 741 Cb -0.26 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1n60 s LYS 741 CO 0.55 0.13 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.48 1n60 s TRP 742 N -0.65 2.99 -0.12 3.18 0.52 -1.26 -4.34 118.94 119.25 1n60 s TRP 742 Ca 0.47 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.59 1n60 s TRP 742 Cb -0.31 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 1n60 s TRP 742 CO 0.38 0.31 -0.07 -1.21 0.02 0.00 0.00 176.95 176.38 1n60 s GLU 743 N -0.67 3.35 0.17 4.98 2.02 -0.53 -5.05 118.70 122.97 1n60 s GLU 743 Ca 0.10 -0.56 0.08 0.00 0.02 0.00 0.00 54.97 54.61 1n60 s GLU 743 Cb -0.11 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1n60 s GLU 743 CO 0.02 0.36 -0.17 0.95 0.02 0.00 0.00 175.26 176.44 1n60 s THR 744 N 0.02 1.72 0.35 3.63 -4.23 -1.26 -0.76 115.64 115.12 1n60 s THR 744 Ca -0.01 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.45 1n60 s THR 744 Cb -0.14 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1n60 s THR 744 CO 0.03 -0.41 0.61 -0.62 -0.54 0.00 0.00 174.62 173.69 1n60 s ASP 745 N -2.81 0.46 0.13 3.99 -1.08 -0.12 -4.90 116.67 112.34 1n60 s ASP 745 Ca 0.16 -1.29 -0.24 0.00 -0.52 0.00 0.00 52.55 50.66 1n60 s ASP 745 Cb -0.04 0.74 0.07 0.00 -1.46 0.00 0.00 42.92 42.23 1n60 s ASP 745 CO 0.06 -1.45 0.62 -0.72 0.52 0.00 0.00 175.17 174.20 1n60 s TYR 746 N -2.83 -0.54 0.31 -5.34 1.13 -1.26 -1.55 117.35 107.27 1n60 s TYR 746 Ca 0.23 0.41 0.05 0.00 -1.41 0.00 0.00 57.07 56.35 1n60 s TYR 746 Cb -0.03 0.54 -0.06 0.00 -1.10 0.00 0.00 41.96 41.32 1n60 s TYR 746 CO 0.16 -0.81 0.02 0.95 -2.51 0.00 0.00 175.55 173.36 1n60 s THR 747 N -3.45 1.31 -0.21 -3.49 -4.23 -1.22 -4.94 115.64 99.41 1n60 s THR 747 Ca -0.00 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1n60 s THR 747 Cb -0.01 -2.66 0.04 0.00 1.34 0.00 0.00 72.50 71.21 1n60 s THR 747 CO -0.10 -0.12 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.05 1n60 s VAL 748 N -3.22 1.85 -0.40 2.29 1.01 -1.26 -4.31 120.40 116.36 1n60 s VAL 748 Ca 0.34 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1n60 s VAL 748 Cb 0.07 -1.90 0.13 0.00 0.00 0.00 0.00 36.38 34.68 1n60 s VAL 748 CO 0.14 0.16 0.22 -0.89 0.00 0.00 0.00 175.10 174.73 1n60 s THR 749 N 1.30 1.05 0.73 3.92 2.01 -1.26 -4.96 115.64 118.43 1n60 s THR 749 Ca -0.03 -2.22 -0.15 0.00 0.31 0.00 0.00 61.69 59.60 1n60 s THR 749 Cb -0.17 -1.75 0.04 0.00 0.01 0.00 0.00 72.50 70.63 1n60 s THR 749 CO -0.08 -0.89 1.23 -2.84 -0.69 0.00 0.00 174.62 171.35 1n60 s PRO 750 N 0.67 2.12 -0.14 4.92 0.02 -1.26 -3.60 135.00 137.72 1n60 s PRO 750 Ca 0.17 1.84 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 1n60 s PRO 750 Cb -0.23 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1n60 s PRO 750 CO -0.02 -1.87 1.26 0.45 -0.33 0.00 0.00 177.00 176.49 1n60 s SER 751 N -1.90 6.96 0.48 2.53 0.15 -0.63 -4.73 113.70 116.55 1n60 s SER 751 Ca 0.76 1.73 0.20 0.00 0.70 0.00 0.00 55.95 59.34 1n60 s SER 751 Cb -0.31 -2.54 1.19 0.00 -1.71 0.00 0.00 66.02 62.65 1n60 s SER 751 CO 0.45 -0.73 2.03 -0.65 1.20 0.00 0.00 173.24 175.53 1n60 h PRO 752 N 8.10 0.00 -0.00 5.44 0.11 -1.89 -3.01 132.00 140.74 1n60 h PRO 752 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1n60 h PRO 752 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1n60 h PRO 752 CO 0.95 0.16 -0.63 -2.39 -0.21 0.00 0.00 178.00 175.89 1n60 n HIS 753 N -4.03 0.00 -3.22 0.65 1.44 -1.26 -4.92 115.22 103.87 1n60 n HIS 753 Ca -0.02 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.31 1n60 n HIS 753 Cb 0.24 -0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.17 1n60 n HIS 753 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1n60 s HIS 754 N -2.89 3.77 0.44 -1.40 5.04 -1.14 -4.93 115.29 114.18 1n60 s HIS 754 Ca 0.12 1.31 0.16 0.00 -1.54 0.00 0.00 55.06 55.11 1n60 s HIS 754 Cb 0.17 -2.53 1.09 0.00 0.04 0.00 0.00 32.58 31.35 1n60 s HIS 754 CO 0.72 0.52 1.94 -1.35 -2.34 0.00 0.00 174.74 174.23 1n60 h PRO 755 N 4.18 0.35 -0.06 2.88 0.11 -1.89 -1.24 132.00 136.33 1n60 h PRO 755 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1n60 h PRO 755 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1n60 h PRO 755 CO 0.64 0.23 0.00 0.44 -0.21 0.00 0.00 178.00 179.11 1n60 n ILE 756 N -4.46 1.57 -1.05 4.15 -5.35 -1.26 -4.99 119.36 107.97 1n60 n ILE 756 Ca 0.13 -1.71 -0.02 0.00 -0.27 0.00 0.00 62.75 60.88 1n60 n ILE 756 Cb 0.51 0.06 -0.01 0.00 -1.74 0.00 0.00 39.64 38.46 1n60 n ILE 756 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n60 n GLY 757 N -0.88 0.45 3.76 3.28 0.00 -0.47 -4.64 105.19 106.69 1n60 n GLY 757 Ca 0.11 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1n60 n GLY 757 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n60 s ALA 758 N -1.73 3.57 0.28 4.61 0.00 -1.26 -1.60 121.76 125.62 1n60 s ALA 758 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.81 1n60 s ALA 758 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1n60 s ALA 758 CO 0.00 0.19 0.29 0.15 0.00 0.00 0.00 175.76 176.39 1n60 s LYS 759 N -0.03 3.02 0.90 0.00 1.02 -0.02 -4.55 119.74 120.07 1n60 s LYS 759 Ca 0.24 -1.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.08 1n60 s LYS 759 Cb -0.16 -2.65 0.13 0.00 -0.52 0.00 0.00 37.83 34.63 1n60 s LYS 759 CO 0.11 0.29 1.09 0.20 -0.92 0.00 0.00 175.35 176.12 1n60 s GLY 760 N -3.96 1.63 0.00 -3.33 0.00 -1.26 -4.80 107.32 95.60 1n60 s GLY 760 Ca 0.37 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1n60 s GLY 760 CO 0.27 0.52 0.00 1.55 0.00 0.00 0.00 173.10 175.44 1n60 n VAL 761 N -3.93 0.00 -0.04 1.40 3.14 -1.26 -4.63 118.33 113.01 1n60 n VAL 761 Ca 0.07 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.58 1n60 n VAL 761 Cb 0.54 0.00 0.53 0.00 -1.06 0.00 0.00 33.84 33.86 1n60 n VAL 761 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1n60 h GLY 762 N 0.00 0.45 0.71 7.55 0.00 -1.93 -1.65 103.07 108.19 1n60 h GLY 762 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1n60 h GLY 762 CO 0.00 0.08 -1.07 1.18 0.00 0.00 0.00 176.54 176.73 1n60 n GLU 763 N -4.46 0.41 -0.25 4.80 1.02 -1.26 -4.40 120.64 116.49 1n60 n GLU 763 Ca 0.08 0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1n60 n GLU 763 Cb 0.36 -1.66 0.15 0.00 -0.02 0.00 0.00 31.44 30.28 1n60 n GLU 763 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1n60 h SER 764 N 0.00 -0.33 -0.52 1.62 0.02 -1.62 -0.77 113.55 111.95 1n60 h SER 764 Ca 0.00 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1n60 h SER 764 Cb 0.83 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 1n60 h SER 764 CO 0.00 -0.17 0.32 1.55 -1.14 0.00 0.00 176.83 177.39 1n60 h PRO 765 N 0.11 0.70 -0.02 3.45 0.13 -1.77 0.66 132.00 135.26 1n60 h PRO 765 Ca 0.40 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.45 1n60 h PRO 765 Cb 0.71 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1n60 h PRO 765 CO -0.65 0.49 -0.12 1.25 -0.23 0.00 0.00 178.00 178.75 1n60 h HIS 766 N 0.72 0.15 -0.30 1.56 2.76 -1.25 0.58 115.15 119.36 1n60 h HIS 766 Ca 0.19 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1n60 h HIS 766 Cb -0.04 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.83 1n60 h HIS 766 CO 0.00 0.79 -0.20 0.28 -1.30 0.00 0.00 177.93 177.50 1n60 h VAL 767 N -0.54 0.44 0.00 5.26 2.07 -0.95 -2.39 116.25 120.14 1n60 h VAL 767 Ca -0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.34 1n60 h VAL 767 Cb 0.81 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1n60 h VAL 767 CO 0.02 0.00 -0.82 1.23 0.02 0.00 0.00 177.57 178.03 1n60 h GLY 768 N -0.17 0.00 1.37 2.17 0.00 -0.97 -3.37 103.07 102.09 1n60 h GLY 768 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.30 1n60 h GLY 768 CO -0.41 0.00 -0.64 -1.33 0.00 0.00 0.00 176.54 174.16 1n60 h GLY 769 N 3.25 0.71 0.87 4.60 0.00 -0.41 -2.87 103.07 109.22 1n60 h GLY 769 Ca -0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 1n60 h GLY 769 CO 0.10 0.81 0.02 -2.08 0.00 0.00 0.00 176.54 175.38 1n60 h VAL 770 N 0.47 1.12 0.00 4.60 2.07 -1.61 -0.95 116.25 121.96 1n60 h VAL 770 Ca -0.01 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1n60 h VAL 770 Cb 1.23 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1n60 h VAL 770 CO 0.13 0.10 -0.15 -0.65 0.02 0.00 0.00 177.57 177.02 1n60 h PRO 771 N -0.08 0.00 -0.01 1.57 0.11 -1.76 0.27 132.00 132.11 1n60 h PRO 771 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.12 1n60 h PRO 771 Cb 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 1n60 h PRO 771 CO -0.00 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 177.94 1n60 h PHE 773 N -0.21 0.42 -0.32 0.00 0.04 -0.87 -1.03 116.94 114.97 1n60 h PHE 773 Ca 0.00 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 1n60 h PHE 773 Cb 0.22 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1n60 h PHE 773 CO -0.00 0.43 -0.19 1.03 -0.60 0.00 0.00 178.31 178.98 1n60 h SER 774 N 0.28 0.58 -0.35 2.17 0.87 -0.88 -1.78 113.55 114.46 1n60 h SER 774 Ca 0.09 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1n60 h SER 774 Cb 0.20 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1n60 h SER 774 CO -0.01 0.78 0.04 0.78 -0.53 0.00 0.00 176.83 177.89 1n60 h ASN 775 N 0.53 0.65 -0.59 6.23 2.35 -0.15 -0.07 115.58 124.53 1n60 h ASN 775 Ca 0.08 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 1n60 h ASN 775 Cb 0.62 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1n60 h ASN 775 CO 0.04 0.69 0.02 0.00 -1.65 0.00 0.00 177.43 176.53 1n60 h ALA 776 N 1.39 0.79 0.01 -0.83 0.00 -0.42 0.28 119.26 120.48 1n60 h ALA 776 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1n60 h ALA 776 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1n60 h ALA 776 CO 0.01 0.61 -0.00 0.28 0.00 0.00 0.00 179.25 180.15 1n60 h VAL 777 N 0.92 1.21 -0.72 0.00 2.07 -1.14 -0.69 116.25 117.89 1n60 h VAL 777 Ca 0.17 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.03 1n60 h VAL 777 Cb 0.53 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1n60 h VAL 777 CO 0.03 0.17 0.48 0.78 0.02 0.00 0.00 177.57 179.05 1n60 h ASN 778 N -0.30 0.83 -0.52 0.57 2.35 -0.91 -2.33 115.58 115.27 1n60 h ASN 778 Ca -0.00 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1n60 h ASN 778 Cb 0.29 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1n60 h ASN 778 CO 0.00 0.60 -0.02 -0.78 -1.65 0.00 0.00 177.43 175.59 1n60 h ASP 779 N 0.98 0.94 -0.94 5.81 3.58 -0.22 -2.37 116.42 124.20 1n60 h ASP 779 Ca 0.27 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.50 1n60 h ASP 779 Cb -0.11 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 40.63 1n60 h ASP 779 CO -0.06 1.01 0.61 0.00 -2.88 0.00 0.00 179.24 177.92 1n60 h ALA 780 N 1.09 1.26 -0.02 -0.78 0.00 -0.57 -2.39 119.26 117.85 1n60 h ALA 780 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n60 h ALA 780 Cb 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n60 h ALA 780 CO 0.03 0.44 -0.02 0.66 0.00 0.00 0.00 179.25 180.37 1n60 n TYR 781 N -4.51 0.00 -0.31 0.00 4.01 -1.10 -4.37 117.16 110.88 1n60 n TYR 781 Ca 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.85 1n60 n TYR 781 Cb 0.12 -0.01 0.14 0.00 -0.31 0.00 0.00 39.34 39.28 1n60 n TYR 781 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1n60 h ALA 782 N 4.33 1.27 0.00 -0.72 0.00 -0.90 -0.58 119.26 122.66 1n60 h ALA 782 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n60 h ALA 782 Cb 0.53 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1n60 h ALA 782 CO 0.00 0.62 0.00 0.27 0.00 0.00 0.00 179.25 180.14 1n60 h PHE 783 N 1.21 0.00 -0.35 0.00 -0.00 -1.77 0.35 116.94 116.38 1n60 h PHE 783 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.28 1n60 h PHE 783 Cb -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.91 1n60 h PHE 783 CO 0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.60 1n60 n LEU 784 N -2.43 3.42 -3.54 2.10 4.77 -0.25 -4.99 117.00 116.08 1n60 n LEU 784 Ca -0.00 -1.46 -0.21 0.00 -0.03 0.00 0.00 56.01 54.31 1n60 n LEU 784 Cb 0.14 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1n60 n LEU 784 CO 0.17 0.72 0.17 0.59 -1.33 0.00 0.00 177.39 177.70 1n60 n ASN 785 N 1.48 -4.13 0.25 -1.43 3.02 0.11 -4.89 115.26 109.67 1n60 n ASN 785 Ca 0.19 -0.60 0.15 0.00 -0.03 0.00 0.00 54.58 54.28 1n60 n ASN 785 Cb 0.61 -4.97 0.55 0.00 -0.61 0.00 0.00 39.78 35.35 1n60 n ASN 785 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n60 h ALA 786 N 0.96 1.00 -0.29 5.41 0.00 -1.76 -3.49 119.26 121.08 1n60 h ALA 786 Ca -0.58 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1n60 h ALA 786 Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1n60 h ALA 786 CO 0.54 0.07 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1n60 n GLY 787 N 0.24 -1.82 3.69 0.00 0.00 -1.26 -4.71 105.19 101.32 1n60 n GLY 787 Ca 0.01 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1n60 n GLY 787 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n60 s HIS 788 N 0.00 2.82 -0.28 1.61 2.46 -1.26 -4.95 115.29 115.69 1n60 s HIS 788 Ca 0.00 0.81 -0.11 0.00 0.47 0.00 0.00 55.06 56.23 1n60 s HIS 788 Cb 0.00 -3.66 -0.05 0.00 -0.13 0.00 0.00 32.58 28.74 1n60 s HIS 788 CO 0.00 -2.46 0.19 0.42 -2.47 0.00 0.00 174.74 170.42 1n60 s ILE 789 N 2.49 5.30 0.25 0.89 1.01 -1.26 -5.06 121.20 124.81 1n60 s ILE 789 Ca 0.64 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 61.16 1n60 s ILE 789 Cb -0.31 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1n60 s ILE 789 CO 0.26 0.26 1.10 -1.10 0.00 0.00 0.00 174.94 175.46 1n60 s GLN 790 N 1.72 4.62 0.79 2.79 -1.52 -1.26 -4.94 119.66 121.87 1n60 s GLN 790 Ca 0.07 1.78 -0.11 0.00 -1.95 0.00 0.00 55.36 55.16 1n60 s GLN 790 Cb -0.16 -3.22 0.07 0.00 -0.22 0.00 0.00 33.01 29.48 1n60 s GLN 790 CO 0.11 0.16 1.09 -1.64 -0.25 0.00 0.00 175.29 174.76 1n60 s MET 791 N -1.07 2.11 0.52 2.91 -1.94 -1.26 -4.58 119.30 115.99 1n60 s MET 791 Ca 0.46 1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 55.46 1n60 s MET 791 Cb -0.31 -1.88 -0.06 0.00 2.01 0.00 0.00 34.83 34.59 1n60 s MET 791 CO 0.39 -1.74 0.93 -1.25 -0.01 0.00 0.00 175.02 173.34 1n60 s PRO 792 N -4.90 3.76 -0.90 2.03 0.04 -1.26 -4.74 135.00 129.03 1n60 s PRO 792 Ca 0.62 0.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.33 1n60 s PRO 792 Cb -0.17 -2.20 0.25 0.00 0.04 0.00 0.00 34.50 32.42 1n60 s PRO 792 CO 0.56 -0.30 2.16 0.72 0.04 0.00 0.00 177.00 180.18 1n60 n HIS 793 N -1.96 2.60 -2.16 0.56 8.25 0.10 -4.82 115.22 117.80 1n60 n HIS 793 Ca 0.05 -2.40 -0.28 0.00 -0.26 0.00 0.00 57.72 54.84 1n60 n HIS 793 Cb 0.54 -1.32 0.15 0.00 1.12 0.00 0.00 29.99 30.48 1n60 n HIS 793 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1n60 s ASP 794 N -0.68 3.63 0.10 0.41 -4.77 -1.03 -4.75 116.67 109.58 1n60 s ASP 794 Ca 0.50 0.07 -0.16 0.00 -3.30 0.00 0.00 52.55 49.67 1n60 s ASP 794 Cb 0.32 -0.26 -0.06 0.00 -1.09 0.00 0.00 42.92 41.82 1n60 s ASP 794 CO -0.25 -2.38 1.49 0.00 0.70 0.00 0.00 175.17 174.73 1n60 h ALA 795 N -1.22 0.45 -0.44 2.11 0.00 -1.85 -1.45 119.26 116.86 1n60 h ALA 795 Ca -0.42 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1n60 h ALA 795 Cb 1.25 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1n60 h ALA 795 CO 0.40 0.32 0.04 0.11 0.00 0.00 0.00 179.25 180.12 1n60 h TRP 796 N 0.42 0.73 -0.37 0.00 5.08 -1.87 0.11 115.95 120.05 1n60 h TRP 796 Ca 0.08 -0.08 -0.15 0.00 1.08 0.00 0.00 58.89 59.81 1n60 h TRP 796 Cb 0.62 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 1n60 h TRP 796 CO 0.05 0.67 -0.38 0.00 -1.28 0.00 0.00 178.44 177.51 1n60 h ARG 797 N 0.67 0.88 0.00 0.12 3.08 -1.80 -0.86 114.38 116.48 1n60 h ARG 797 Ca 0.14 -0.46 -0.13 0.00 0.07 0.00 0.00 59.98 59.60 1n60 h ARG 797 Cb 0.36 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1n60 h ARG 797 CO 0.01 1.11 -0.64 -0.07 -1.07 0.00 0.00 179.97 179.31 1n60 h LEU 798 N 0.72 0.00 -0.40 3.04 3.38 -0.91 -2.03 115.31 119.12 1n60 h LEU 798 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n60 h LEU 798 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1n60 h LEU 798 CO 0.09 0.64 0.25 -0.25 0.09 0.00 0.00 178.44 179.26 1n60 h TRP 799 N 0.00 0.47 -0.95 1.13 7.01 -0.54 -2.17 115.95 120.90 1n60 h TRP 799 Ca -0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1n60 h TRP 799 Cb 1.21 -0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 28.07 1n60 h TRP 799 CO 0.00 0.28 0.60 -0.22 -2.79 0.00 0.00 178.44 176.31 1n60 h LYS 800 N 0.50 1.28 -0.15 2.65 3.64 -0.74 0.10 116.57 123.85 1n60 h LYS 800 Ca 0.15 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1n60 h LYS 800 Cb -0.02 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.50 1n60 h LYS 800 CO -0.05 0.87 0.02 0.28 -2.27 0.00 0.00 179.45 178.29 1n60 h VAL 801 N 1.30 0.92 -0.33 2.00 2.07 -1.04 -0.87 116.25 120.30 1n60 h VAL 801 Ca 0.35 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1n60 h VAL 801 Cb -0.10 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1n60 h VAL 801 CO -0.07 0.01 -0.05 1.23 0.02 0.00 0.00 177.57 178.72 1n60 h GLY 802 N 0.07 0.58 0.98 2.17 0.00 -0.74 -2.06 103.07 104.08 1n60 h GLY 802 Ca 0.07 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1n60 h GLY 802 CO -0.10 0.34 0.23 -2.09 0.00 0.00 0.00 176.54 174.92 1n60 h GLU 803 N 0.51 0.54 0.00 4.80 4.57 -0.27 -0.50 114.58 124.23 1n60 h GLU 803 Ca 0.10 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1n60 h GLU 803 Cb 0.40 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1n60 h GLU 803 CO 0.02 0.41 -0.28 1.96 -1.18 0.00 0.00 179.01 179.94 1n60 h GLN 804 N 0.51 0.00 -0.00 1.92 4.20 -0.92 -1.81 115.11 119.01 1n60 h GLN 804 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1n60 h GLN 804 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1n60 h GLN 804 CO -0.03 0.28 -0.01 1.28 -0.67 0.00 0.00 178.83 179.68 1n60 n LEU 805 N -3.41 0.40 -0.07 1.46 4.77 -0.80 -4.91 117.00 114.45 1n60 n LEU 805 Ca 0.00 -0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 55.86 1n60 n LEU 805 Cb 0.47 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1n60 n LEU 805 CO 0.35 0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 177.08 1n60 n GLY 806 N 1.08 0.45 0.10 -0.72 0.00 -0.68 -4.93 105.19 100.49 1n60 n GLY 806 Ca 0.22 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.38 1n60 n GLY 806 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n60 n LEU 807 N -0.10 0.61 -0.83 0.99 4.77 -0.25 -3.18 117.00 119.02 1n60 n LEU 807 Ca -0.01 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 1n60 n LEU 807 Cb 0.03 -0.46 0.13 0.00 -2.33 0.00 0.00 43.42 40.78 1n60 n LEU 807 CO 0.01 -0.34 0.59 1.41 -1.33 0.00 0.00 177.39 177.73 1n60 n HIS 808 N -2.12 0.21 0.88 -1.77 8.25 -1.26 -5.01 115.22 114.40 1n60 n HIS 808 Ca 0.04 -0.13 0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1n60 n HIS 808 Cb 0.31 -0.00 0.42 0.00 1.12 0.00 0.00 29.99 31.84 1n60 n HIS 808 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31