#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii2 s PRO 3 N 0.00 3.97 -0.23 0.52 0.04 -1.23 -4.89 135.00 133.18 1ii2 s PRO 3 Ca 0.00 0.72 -0.27 0.00 0.04 0.00 0.00 61.00 61.49 1ii2 s PRO 3 Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ii2 s PRO 3 CO 0.00 0.02 0.96 0.99 0.04 0.00 0.00 177.00 179.02 1ii2 s THR 4 N -2.20 4.74 -0.21 1.26 2.01 -0.15 -4.85 115.64 116.24 1ii2 s THR 4 Ca 0.55 1.87 -0.15 0.00 0.31 0.00 0.00 61.69 64.27 1ii2 s THR 4 Cb -0.10 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1ii2 s THR 4 CO 0.22 -0.14 0.37 -0.63 -0.69 0.00 0.00 174.62 173.75 1ii2 s ILE 5 N 3.05 5.22 -0.32 1.82 1.01 -1.26 -1.16 121.20 129.55 1ii2 s ILE 5 Ca 0.41 0.64 -0.07 0.00 0.00 0.00 0.00 60.65 61.62 1ii2 s ILE 5 Cb -0.15 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.64 1ii2 s ILE 5 CO 0.07 0.26 0.10 -1.00 0.00 0.00 0.00 174.94 174.37 1ii2 s HIS 6 N 1.32 3.21 -0.19 3.97 3.76 0.68 -4.97 115.29 123.06 1ii2 s HIS 6 Ca 0.17 -1.18 -0.06 0.00 -0.15 0.00 0.00 55.06 53.84 1ii2 s HIS 6 Cb -0.15 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 1ii2 s HIS 6 CO 0.08 -0.65 0.04 1.03 -0.85 0.00 0.00 174.74 174.38 1ii2 s ARG 7 N 1.46 3.81 -1.28 1.40 0.52 -1.26 -0.33 118.95 123.28 1ii2 s ARG 7 Ca 0.01 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.64 1ii2 s ARG 7 Cb -0.18 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.13 1ii2 s ARG 7 CO 0.03 0.15 0.58 0.09 0.02 0.00 0.00 175.30 176.17 1ii2 n ASN 8 N 3.89 -2.88 -4.81 0.23 3.02 0.02 -4.95 115.26 109.78 1ii2 n ASN 8 Ca -0.17 -1.09 -0.31 0.00 -0.03 0.00 0.00 54.58 52.98 1ii2 n ASN 8 Cb 0.52 -2.78 0.06 0.00 -0.61 0.00 0.00 39.78 36.97 1ii2 n ASN 8 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ii2 s LEU 9 N -6.92 3.14 0.66 3.41 1.43 -1.26 -5.03 118.68 114.12 1ii2 s LEU 9 Ca 0.28 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.96 1ii2 s LEU 9 Cb -0.12 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.58 1ii2 s LEU 9 CO 0.90 -1.56 1.05 -0.76 0.23 0.00 0.00 176.35 176.21 1ii2 s LEU 10 N -5.54 3.19 0.17 1.79 1.43 -1.26 -4.85 118.68 113.61 1ii2 s LEU 10 Ca 0.59 1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 55.11 1ii2 s LEU 10 Cb -0.15 -4.49 0.12 0.00 0.03 0.00 0.00 46.19 41.71 1ii2 s LEU 10 CO 0.54 -1.24 1.74 0.28 0.23 0.00 0.00 176.35 177.89 1ii2 h SER 11 N -0.52 0.09 -0.25 2.29 0.02 -1.99 -1.42 113.55 111.77 1ii2 h SER 11 Ca -0.44 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1ii2 h SER 11 Cb 1.20 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1ii2 h SER 11 CO 0.58 0.08 0.15 1.55 -1.14 0.00 0.00 176.83 178.06 1ii2 h PRO 12 N 0.27 0.36 -0.41 3.45 0.13 -1.99 -0.74 132.00 133.07 1ii2 h PRO 12 Ca 0.21 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1ii2 h PRO 12 Cb 0.23 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1ii2 h PRO 12 CO -0.24 0.27 -0.10 0.93 -0.23 0.00 0.00 178.00 178.63 1ii2 h GLU 13 N 0.37 0.79 -0.61 0.86 5.08 -1.66 -1.71 114.58 117.69 1ii2 h GLU 13 Ca 0.10 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1ii2 h GLU 13 Cb 0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1ii2 h GLU 13 CO -0.02 0.92 0.04 -0.07 -1.00 0.00 0.00 179.01 178.88 1ii2 h LEU 14 N 0.60 1.00 -0.62 1.33 3.38 -0.63 -1.25 115.31 119.13 1ii2 h LEU 14 Ca 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1ii2 h LEU 14 Cb 0.63 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ii2 h LEU 14 CO 0.04 1.03 0.24 0.58 0.09 0.00 0.00 178.44 180.42 1ii2 h VAL 15 N 0.95 1.23 -0.55 1.22 2.07 -1.05 0.27 116.25 120.39 1ii2 h VAL 15 Ca 0.18 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1ii2 h VAL 15 Cb 0.50 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1ii2 h VAL 15 CO 0.02 0.29 0.35 1.56 0.02 0.00 0.00 177.57 179.81 1ii2 h GLN 16 N 0.86 0.72 -0.64 1.57 4.20 -0.95 -1.19 115.11 119.68 1ii2 h GLN 16 Ca 0.21 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1ii2 h GLN 16 Cb 0.21 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1ii2 h GLN 16 CO -0.02 0.49 0.18 -1.49 -0.67 0.00 0.00 178.83 177.33 1ii2 h TRP 17 N 0.74 1.04 -0.67 2.96 4.06 -0.83 -1.79 115.95 121.47 1ii2 h TRP 17 Ca 0.20 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 1ii2 h TRP 17 Cb -0.07 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 27.76 1ii2 h TRP 17 CO -0.03 0.86 0.37 0.00 -3.56 0.00 0.00 178.44 176.07 1ii2 h ALA 18 N 1.07 0.85 -0.29 1.49 0.00 -0.58 -1.26 119.26 120.54 1ii2 h ALA 18 Ca 0.20 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ii2 h ALA 18 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ii2 h ALA 18 CO -0.00 0.37 -0.14 -0.07 0.00 0.00 0.00 179.25 179.40 1ii2 h LEU 19 N 0.91 0.48 -0.03 0.00 3.38 -1.00 0.45 115.31 119.50 1ii2 h LEU 19 Ca 0.23 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1ii2 h LEU 19 Cb 0.04 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ii2 h LEU 19 CO -0.04 0.65 -0.32 0.50 0.09 0.00 0.00 178.44 179.33 1ii2 h LYS 20 N 0.45 0.26 0.00 1.13 3.64 -0.88 -3.39 116.57 117.78 1ii2 h LYS 20 Ca 0.08 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1ii2 h LYS 20 Cb 0.52 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1ii2 h LYS 20 CO 0.03 0.93 -1.62 0.44 -2.27 0.00 0.00 179.45 176.96 1ii2 n ILE 21 N -4.45 0.00 -3.07 2.00 -5.35 -0.52 -4.81 119.36 103.17 1ii2 n ILE 21 Ca -0.09 -0.34 -0.44 0.00 -0.27 0.00 0.00 62.75 61.61 1ii2 n ILE 21 Cb 0.52 0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.68 1ii2 n ILE 21 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1ii2 s GLU 22 N -3.20 3.10 0.23 6.28 2.02 0.15 -4.95 118.70 122.33 1ii2 s GLU 22 Ca -0.03 -1.03 -0.08 0.00 0.02 0.00 0.00 54.97 53.85 1ii2 s GLU 22 Cb 0.13 -4.19 0.40 0.00 0.10 0.00 0.00 34.13 30.57 1ii2 s GLU 22 CO 0.80 -1.47 1.66 1.57 0.02 0.00 0.00 175.26 177.84 1ii2 h LYS 23 N 9.19 0.16 -0.45 1.61 5.09 -1.87 -2.27 116.57 128.03 1ii2 h LYS 23 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.45 1ii2 h LYS 23 Cb 1.09 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.38 1ii2 h LYS 23 CO 1.07 0.11 0.00 -0.25 -2.09 0.00 0.00 179.45 178.28 1ii2 n ASP 24 N -5.25 2.63 -4.83 7.07 8.00 -1.26 -4.93 116.55 117.97 1ii2 n ASP 24 Ca 0.12 -1.96 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 1ii2 n ASP 24 Cb 0.43 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1ii2 n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1ii2 s SER 25 N -1.11 6.95 0.36 -2.24 0.01 -0.85 -4.72 113.70 112.09 1ii2 s SER 25 Ca 0.34 1.35 -0.11 0.00 1.31 0.00 0.00 55.95 58.84 1ii2 s SER 25 Cb 0.18 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 64.05 1ii2 s SER 25 CO 0.24 -0.05 0.67 0.00 0.41 0.00 0.00 173.24 174.51 1ii2 s ARG 26 N -2.33 2.08 0.01 12.44 1.70 -0.50 -4.85 118.95 127.50 1ii2 s ARG 26 Ca 0.47 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.21 1ii2 s ARG 26 Cb -0.14 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.76 1ii2 s ARG 26 CO 0.20 -0.93 0.08 -0.51 -1.08 0.00 0.00 175.30 173.05 1ii2 s LEU 27 N -3.12 3.89 0.61 -1.89 1.43 -1.26 -0.25 118.68 118.09 1ii2 s LEU 27 Ca 0.21 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1ii2 s LEU 27 Cb -0.03 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.92 1ii2 s LEU 27 CO 0.14 0.26 0.89 0.42 0.23 0.00 0.00 176.35 178.29 1ii2 s THR 28 N -1.22 2.90 0.61 5.49 -4.23 -0.36 -4.89 115.64 113.94 1ii2 s THR 28 Ca 0.24 -0.31 0.28 0.00 -1.18 0.00 0.00 61.69 60.71 1ii2 s THR 28 Cb -0.12 -3.17 0.36 0.00 1.34 0.00 0.00 72.50 70.91 1ii2 s THR 28 CO 0.15 -0.16 1.81 0.00 -0.54 0.00 0.00 174.62 175.88 1ii2 h ALA 29 N -0.23 2.12 -0.26 3.99 0.00 -1.29 0.23 119.26 123.81 1ii2 h ALA 29 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ii2 h ALA 29 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ii2 h ALA 29 CO 0.58 -0.78 0.00 0.54 0.00 0.00 0.00 179.25 179.60 1ii2 n ARG 30 N -3.49 2.04 -0.21 0.00 1.74 -1.26 -4.99 116.66 110.50 1ii2 n ARG 30 Ca 0.08 -1.90 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1ii2 n ARG 30 Cb 0.73 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1ii2 n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ii2 n GLY 31 N 0.97 0.76 3.79 -0.13 0.00 0.79 -2.00 105.19 109.38 1ii2 n GLY 31 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1ii2 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 32 N -2.20 3.05 -0.46 4.61 0.00 -1.24 -3.37 121.76 122.15 1ii2 s ALA 32 Ca 0.00 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 1ii2 s ALA 32 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1ii2 s ALA 32 CO 0.00 -0.11 0.89 -1.17 0.00 0.00 0.00 175.76 175.37 1ii2 s LEU 33 N -2.84 4.07 -0.26 0.00 2.96 -0.18 -1.22 118.68 121.21 1ii2 s LEU 33 Ca 0.59 0.07 -0.15 0.00 -0.22 0.00 0.00 54.13 54.42 1ii2 s LEU 33 Cb -0.18 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.34 1ii2 s LEU 33 CO 0.22 -1.01 0.40 0.00 -1.32 0.00 0.00 176.35 174.64 1ii2 s ALA 34 N 3.63 3.57 0.36 5.97 0.00 0.66 -0.29 121.76 135.65 1ii2 s ALA 34 Ca 0.35 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1ii2 s ALA 34 Cb -0.11 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1ii2 s ALA 34 CO 0.25 -0.61 0.16 0.14 0.00 0.00 0.00 175.76 175.70 1ii2 s VAL 35 N 1.98 0.46 0.02 0.00 -7.23 -0.01 -1.41 120.40 114.21 1ii2 s VAL 35 Ca 0.17 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.39 1ii2 s VAL 35 Cb -0.16 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 1ii2 s VAL 35 CO 0.09 0.00 -0.18 -0.04 -0.31 0.00 0.00 175.10 174.67 1ii2 s MET 36 N -3.72 1.28 0.00 4.82 -1.94 -1.26 -0.26 119.30 118.22 1ii2 s MET 36 Ca 0.31 -0.77 0.22 0.00 -1.71 0.00 0.00 55.69 53.74 1ii2 s MET 36 Cb 0.04 -1.31 0.14 0.00 2.01 0.00 0.00 34.83 35.71 1ii2 s MET 36 CO 0.17 0.34 1.17 -1.13 -0.01 0.00 0.00 175.02 175.57 1ii2 n SER 37 N 2.19 2.68 0.00 3.03 3.41 -1.26 -4.92 113.62 118.75 1ii2 n SER 37 Ca -0.16 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1ii2 n SER 37 Cb 0.54 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1ii2 n SER 37 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ii2 n TYR 38 N 1.00 0.00 -0.25 7.33 4.02 -1.26 -4.00 117.16 124.01 1ii2 n TYR 38 Ca 0.12 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1ii2 n TYR 38 Cb 0.54 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.92 1ii2 n TYR 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ii2 h ALA 39 N -0.67 0.37 -2.92 -0.72 0.00 -1.99 -3.37 119.26 109.96 1ii2 h ALA 39 Ca 0.00 0.26 -0.63 0.00 0.00 0.00 0.00 54.91 54.54 1ii2 h ALA 39 Cb 0.00 0.62 -0.16 0.00 0.00 0.00 0.00 17.79 18.25 1ii2 h ALA 39 CO 0.00 -0.47 -0.46 0.15 0.00 0.00 0.00 179.25 178.47 1ii2 s LYS 40 N -6.18 4.00 -0.14 0.00 -0.14 -1.26 -4.92 119.74 111.10 1ii2 s LYS 40 Ca -0.14 -0.23 0.18 0.00 -1.36 0.00 0.00 55.97 54.41 1ii2 s LYS 40 Cb 0.20 -3.63 0.33 0.00 -1.68 0.00 0.00 37.83 33.06 1ii2 s LYS 40 CO 0.74 -0.13 1.18 0.25 -0.76 0.00 0.00 175.35 176.63 1ii2 n THR 41 N 4.85 1.97 -3.85 2.17 -2.24 -1.26 -4.05 114.28 111.87 1ii2 n THR 41 Ca -0.13 -2.34 -0.05 0.00 -2.27 0.00 0.00 64.05 59.26 1ii2 n THR 41 Cb 0.52 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1ii2 n THR 41 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ii2 s GLY 42 N -2.83 0.16 0.72 3.38 0.00 -1.26 -4.74 107.32 102.75 1ii2 s GLY 42 Ca 0.34 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 1ii2 s GLY 42 CO 0.02 1.43 1.08 0.50 0.00 0.00 0.00 173.10 176.14 1ii2 s ARG 43 N -2.31 2.60 -0.69 2.90 0.52 -0.19 -4.72 118.95 117.05 1ii2 s ARG 43 Ca 0.19 1.13 0.05 0.00 -0.52 0.00 0.00 55.73 56.58 1ii2 s ARG 43 Cb -0.03 -1.94 0.20 0.00 0.52 0.00 0.00 34.95 33.70 1ii2 s ARG 43 CO 0.07 -1.38 0.62 0.43 0.02 0.00 0.00 175.30 175.06 1ii2 n SER 44 N -3.18 3.42 -0.15 0.23 7.64 -1.26 -1.20 113.62 119.10 1ii2 n SER 44 Ca 0.09 -3.31 0.11 0.00 1.01 0.00 0.00 58.87 56.77 1ii2 n SER 44 Cb 0.53 -0.74 0.44 0.00 -1.01 0.00 0.00 64.21 63.43 1ii2 n SER 44 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ii2 h PRO 45 N 4.93 0.54 0.00 1.43 0.13 -1.94 -0.63 132.00 136.46 1ii2 h PRO 45 Ca 0.17 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1ii2 h PRO 45 Cb 0.72 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1ii2 h PRO 45 CO 0.78 0.36 -0.06 -0.07 -0.23 0.00 0.00 178.00 178.78 1ii2 h LEU 46 N 0.56 0.00 -2.39 1.56 3.38 -1.92 -2.01 115.31 114.49 1ii2 h LEU 46 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1ii2 h LEU 46 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1ii2 h LEU 46 CO -0.11 0.06 0.00 0.47 0.09 0.00 0.00 178.44 178.95 1ii2 n ASP 47 N -3.56 3.42 -4.75 -0.43 8.00 -0.26 -4.94 116.55 114.03 1ii2 n ASP 47 Ca -0.02 -1.96 -0.40 0.00 0.71 0.00 0.00 54.79 53.11 1ii2 n ASP 47 Cb 0.17 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 40.95 1ii2 n ASP 47 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ii2 s LYS 48 N -1.34 4.82 0.01 -1.24 2.20 -0.76 -2.29 119.74 121.14 1ii2 s LYS 48 Ca 0.37 1.54 -0.03 0.00 -0.36 0.00 0.00 55.97 57.49 1ii2 s LYS 48 Cb 0.22 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 1ii2 s LYS 48 CO 0.30 0.46 0.05 1.03 -0.36 0.00 0.00 175.35 176.82 1ii2 s ARG 49 N -1.18 0.36 -0.13 4.03 1.81 -0.24 -4.42 118.95 119.19 1ii2 s ARG 49 Ca 0.42 -0.46 0.02 0.00 -1.72 0.00 0.00 55.73 53.99 1ii2 s ARG 49 Cb -0.27 0.14 0.01 0.00 -0.45 0.00 0.00 34.95 34.38 1ii2 s ARG 49 CO 0.33 -0.07 -0.20 0.42 -0.68 0.00 0.00 175.30 175.10 1ii2 s ILE 50 N -1.31 1.92 0.33 1.52 1.01 -0.79 -1.11 121.20 122.77 1ii2 s ILE 50 Ca -0.14 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 1ii2 s ILE 50 Cb -0.08 -1.71 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 1ii2 s ILE 50 CO 0.00 0.52 1.50 -0.69 0.00 0.00 0.00 174.94 176.27 1ii2 s VAL 51 N 0.87 2.21 -1.37 2.92 1.01 -0.06 -2.52 120.40 123.46 1ii2 s VAL 51 Ca -0.07 0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1ii2 s VAL 51 Cb -0.15 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ii2 s VAL 51 CO -0.02 0.04 2.14 -0.67 0.00 0.00 0.00 175.10 176.59 1ii2 n ASP 52 N 1.32 3.84 -4.89 3.32 2.03 0.02 -4.81 116.55 117.37 1ii2 n ASP 52 Ca 0.04 -2.83 -0.35 0.00 0.52 0.00 0.00 54.79 52.17 1ii2 n ASP 52 Cb 0.39 -1.61 -0.05 0.00 -0.72 0.00 0.00 41.12 39.12 1ii2 n ASP 52 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ii2 s THR 53 N 3.60 5.36 0.30 5.18 -4.23 -1.26 -4.70 115.64 119.89 1ii2 s THR 53 Ca 0.49 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1ii2 s THR 53 Cb 0.13 -3.54 0.30 0.00 1.34 0.00 0.00 72.50 70.73 1ii2 s THR 53 CO -0.05 0.39 1.81 0.44 -0.54 0.00 0.00 174.62 176.67 1ii2 h ASP 54 N 4.06 0.82 -0.02 3.99 3.32 -2.00 -1.12 116.42 125.47 1ii2 h ASP 54 Ca -0.50 0.07 0.01 0.00 0.02 0.00 0.00 57.03 56.62 1ii2 h ASP 54 Cb 1.20 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1ii2 h ASP 54 CO 0.66 0.37 0.06 -2.24 -1.72 0.00 0.00 179.24 176.37 1ii2 h ASP 55 N 0.84 0.00 0.00 6.45 2.03 -1.98 -3.27 116.42 120.49 1ii2 h ASP 55 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 1ii2 h ASP 55 Cb 0.73 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1ii2 h ASP 55 CO -0.31 0.00 -0.49 1.33 -1.03 0.00 0.00 179.24 178.74 1ii2 n VAL 56 N -3.27 0.00 -0.33 4.15 0.24 -0.94 -4.87 118.33 113.31 1ii2 n VAL 56 Ca -0.02 -0.04 0.23 0.00 -2.04 0.00 0.00 64.34 62.47 1ii2 n VAL 56 Cb 0.14 0.38 0.44 0.00 -1.47 0.00 0.00 33.84 33.33 1ii2 n VAL 56 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ii2 h ARG 57 N 0.00 0.07 0.00 7.34 2.43 -1.27 0.13 114.38 123.07 1ii2 h ARG 57 Ca 0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ii2 h ARG 57 Cb 0.00 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ii2 h ARG 57 CO 0.00 0.05 -0.04 0.93 -1.51 0.00 0.00 179.97 179.40 1ii2 h GLU 58 N 0.07 0.00 0.00 0.20 5.08 -1.87 -3.29 114.58 114.78 1ii2 h GLU 58 Ca 0.72 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.92 1ii2 h GLU 58 Cb 1.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.93 1ii2 h GLU 58 CO -0.78 0.04 -2.16 0.09 -1.00 0.00 0.00 179.01 175.20 1ii2 n ASN 59 N -3.13 0.02 -4.73 1.42 3.02 0.37 -4.96 115.26 107.27 1ii2 n ASN 59 Ca 0.02 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 1ii2 n ASN 59 Cb 0.40 1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 41.08 1ii2 n ASN 59 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ii2 s VAL 60 N -3.06 2.92 -1.24 2.41 1.01 -0.77 -4.43 120.40 117.24 1ii2 s VAL 60 Ca -0.09 0.71 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1ii2 s VAL 60 Cb 0.10 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1ii2 s VAL 60 CO 0.87 0.08 1.60 -0.62 0.00 0.00 0.00 175.10 177.03 1ii2 s ASP 61 N 0.75 6.88 0.31 3.32 2.15 0.56 -4.97 116.67 125.67 1ii2 s ASP 61 Ca 0.63 -2.54 -0.29 0.00 0.43 0.00 0.00 52.55 50.77 1ii2 s ASP 61 Cb -0.40 -2.51 -0.11 0.00 -0.30 0.00 0.00 42.92 39.60 1ii2 s ASP 61 CO 0.36 -1.05 1.44 0.26 -0.17 0.00 0.00 175.17 176.01 1ii2 s TRP 62 N 3.37 2.88 0.00 -5.34 0.52 -1.26 -4.32 118.94 114.78 1ii2 s TRP 62 Ca 0.49 1.12 0.00 0.00 0.02 0.00 0.00 56.10 57.73 1ii2 s TRP 62 Cb 0.01 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.46 1ii2 s TRP 62 CO 0.04 -2.69 0.00 0.41 0.02 0.00 0.00 176.95 174.73 1ii2 n GLY 63 N 1.40 -0.87 0.19 0.98 0.00 0.14 -4.92 105.19 102.11 1ii2 n GLY 63 Ca 0.04 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1ii2 n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ii2 h LYS 64 N 0.00 0.00 0.00 1.61 2.10 -2.03 -3.35 116.57 114.90 1ii2 h LYS 64 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 58.24 1ii2 h LYS 64 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 1ii2 h LYS 64 CO 0.00 0.00 -2.33 0.28 -2.00 0.00 0.00 179.45 175.40 1ii2 n VAL 65 N -2.73 1.53 -3.44 0.07 0.31 -1.26 -4.87 118.33 107.93 1ii2 n VAL 65 Ca 0.04 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.64 1ii2 n VAL 65 Cb 0.41 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 1ii2 n VAL 65 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ii2 s ASN 66 N -7.31 6.14 -0.10 4.52 0.01 -1.26 -4.87 114.94 112.08 1ii2 s ASN 66 Ca -0.37 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.38 1ii2 s ASN 66 Cb 0.13 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.62 1ii2 s ASN 66 CO 0.49 -0.35 -0.19 -0.04 -1.51 0.00 0.00 177.10 175.50 1ii2 s MET 67 N 1.90 2.49 0.60 -0.60 -1.94 -1.26 -0.68 119.30 119.81 1ii2 s MET 67 Ca 0.09 -0.68 -0.19 0.00 -1.71 0.00 0.00 55.69 53.20 1ii2 s MET 67 Cb -0.17 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.66 1ii2 s MET 67 CO 0.11 0.06 1.29 0.15 -0.01 0.00 0.00 175.02 176.63 1ii2 s LYS 68 N 0.63 2.84 -0.03 2.03 1.02 -1.26 -1.88 119.74 123.08 1ii2 s LYS 68 Ca -0.14 2.05 -0.00 0.00 0.02 0.00 0.00 55.97 57.91 1ii2 s LYS 68 Cb -0.16 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1ii2 s LYS 68 CO 0.04 -1.37 0.01 -1.17 -0.92 0.00 0.00 175.35 171.94 1ii2 s LEU 69 N -4.03 0.99 0.67 3.17 2.96 -1.05 -4.82 118.68 116.57 1ii2 s LEU 69 Ca 0.78 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.52 1ii2 s LEU 69 Cb -0.37 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.13 1ii2 s LEU 69 CO 0.40 -0.13 1.22 -0.94 -1.32 0.00 0.00 176.35 175.58 1ii2 s SER 70 N 1.23 4.64 0.40 3.68 1.04 -1.26 -0.80 113.70 122.62 1ii2 s SER 70 Ca -0.07 2.40 0.06 0.00 0.48 0.00 0.00 55.95 58.82 1ii2 s SER 70 Cb -0.13 -2.60 0.82 0.00 0.10 0.00 0.00 66.02 64.21 1ii2 s SER 70 CO -0.02 -1.96 2.05 -0.33 0.98 0.00 0.00 173.24 173.95 1ii2 h GLU 71 N 0.26 0.60 -0.38 4.02 5.08 -1.96 -0.96 114.58 121.24 1ii2 h GLU 71 Ca -0.49 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1ii2 h GLU 71 Cb 1.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ii2 h GLU 71 CO 0.52 0.40 -0.01 1.49 -1.00 0.00 0.00 179.01 180.41 1ii2 h GLU 72 N 0.62 0.67 -0.01 2.33 4.57 -2.00 -1.97 114.58 118.79 1ii2 h GLU 72 Ca 0.17 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1ii2 h GLU 72 Cb -0.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1ii2 h GLU 72 CO -0.04 0.77 -0.38 0.77 -1.18 0.00 0.00 179.01 178.96 1ii2 h SER 73 N 0.49 0.01 -0.13 1.04 0.02 -1.71 -1.92 113.55 111.35 1ii2 h SER 73 Ca 0.11 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 1ii2 h SER 73 Cb 0.48 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1ii2 h SER 73 CO 0.02 0.39 -0.29 0.15 -1.14 0.00 0.00 176.83 175.96 1ii2 h PHE 74 N 0.01 0.70 -0.36 3.45 3.57 -0.93 -1.85 116.94 121.53 1ii2 h PHE 74 Ca -0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 1ii2 h PHE 74 Cb 0.67 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1ii2 h PHE 74 CO 0.00 0.83 -0.02 0.00 -2.23 0.00 0.00 178.31 176.89 1ii2 h ALA 75 N 1.16 1.30 0.07 2.41 0.00 -0.71 0.12 119.26 123.62 1ii2 h ALA 75 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ii2 h ALA 75 Cb 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ii2 h ALA 75 CO 0.06 0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1ii2 h ARG 76 N 0.54 -0.10 -0.37 0.00 3.08 -0.75 -1.09 114.38 115.70 1ii2 h ARG 76 Ca 0.11 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1ii2 h ARG 76 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1ii2 h ARG 76 CO 0.01 0.23 -0.11 -0.39 -1.07 0.00 0.00 179.97 178.65 1ii2 h VAL 77 N -0.43 1.24 -0.58 2.04 -1.51 -1.22 -1.91 116.25 113.88 1ii2 h VAL 77 Ca -0.01 -1.08 -0.06 0.00 -1.23 0.00 0.00 66.70 64.32 1ii2 h VAL 77 Cb 0.37 1.08 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 1ii2 h VAL 77 CO 0.02 0.36 0.14 -0.09 -1.23 0.00 0.00 177.57 176.77 1ii2 h ARG 78 N 0.59 0.90 -0.26 5.19 2.43 -0.91 0.13 114.38 122.45 1ii2 h ARG 78 Ca 0.11 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1ii2 h ARG 78 Cb 0.53 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1ii2 h ARG 78 CO 0.03 0.81 -0.01 -0.22 -1.51 0.00 0.00 179.97 179.08 1ii2 h LYS 79 N 0.87 0.47 -0.74 0.20 3.64 -0.78 -0.07 116.57 120.15 1ii2 h LYS 79 Ca 0.19 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1ii2 h LYS 79 Cb 0.32 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1ii2 h LYS 79 CO -0.00 0.64 0.47 0.82 -2.27 0.00 0.00 179.45 179.11 1ii2 h ILE 80 N 0.24 1.10 0.62 2.00 2.04 -1.02 -0.07 117.51 122.42 1ii2 h ILE 80 Ca 0.07 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1ii2 h ILE 80 Cb 0.43 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ii2 h ILE 80 CO 0.01 0.17 -0.30 0.00 0.00 0.00 0.00 178.15 178.04 1ii2 h ALA 81 N 1.32 -0.83 -0.63 1.87 0.00 -0.72 -1.90 119.26 118.37 1ii2 h ALA 81 Ca 0.30 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ii2 h ALA 81 Cb 0.02 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ii2 h ALA 81 CO -0.11 -0.86 0.41 0.87 0.00 0.00 0.00 179.25 179.56 1ii2 h LYS 82 N -1.04 0.73 -0.33 0.00 1.57 -0.93 -0.36 116.57 116.21 1ii2 h LYS 82 Ca -0.08 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1ii2 h LYS 82 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ii2 h LYS 82 CO 0.14 0.48 0.13 1.49 -0.57 0.00 0.00 179.45 181.12 1ii2 h GLU 83 N 0.75 0.49 -0.14 3.15 4.57 -0.97 -0.13 114.58 122.30 1ii2 h GLU 83 Ca 0.25 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1ii2 h GLU 83 Cb 0.07 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1ii2 h GLU 83 CO -0.07 0.49 0.07 0.35 -1.18 0.00 0.00 179.01 178.67 1ii2 h PHE 84 N 0.39 0.19 -0.78 0.92 3.57 -0.53 -2.39 116.94 118.32 1ii2 h PHE 84 Ca 0.11 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1ii2 h PHE 84 Cb 0.18 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1ii2 h PHE 84 CO -0.01 0.22 0.50 -0.07 -2.23 0.00 0.00 178.31 176.73 1ii2 h LEU 85 N 0.11 0.84 -0.53 0.59 3.38 -0.96 -2.32 115.31 116.41 1ii2 h LEU 85 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ii2 h LEU 85 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ii2 h LEU 85 CO -0.01 0.59 0.00 0.47 0.09 0.00 0.00 178.44 179.58 1ii2 n ASP 86 N -4.59 0.69 -0.99 -0.43 8.00 -0.07 -3.05 116.55 116.10 1ii2 n ASP 86 Ca 0.09 0.64 0.10 0.00 0.71 0.00 0.00 54.79 56.32 1ii2 n ASP 86 Cb 0.07 -0.80 0.21 0.00 -0.02 0.00 0.00 41.12 40.57 1ii2 n ASP 86 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ii2 n THR 87 N -2.23 0.69 -2.33 -3.53 -2.24 -0.89 -3.82 114.28 99.93 1ii2 n THR 87 Ca 0.03 -0.85 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 1ii2 n THR 87 Cb 0.28 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 1ii2 n THR 87 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ii2 s ARG 88 N -1.18 3.67 0.23 -0.78 1.81 -1.15 -4.92 118.95 116.62 1ii2 s ARG 88 Ca 0.34 0.58 0.04 0.00 -1.72 0.00 0.00 55.73 54.97 1ii2 s ARG 88 Cb 0.19 -2.22 0.23 0.00 -0.45 0.00 0.00 34.95 32.70 1ii2 s ARG 88 CO 0.26 -0.33 1.55 0.93 -0.68 0.00 0.00 175.30 177.03 1ii2 h GLU 89 N 0.29 0.24 -4.61 3.54 5.08 -1.90 -3.26 114.58 113.96 1ii2 h GLU 89 Ca -0.46 -0.17 -0.38 0.00 -1.00 0.00 0.00 59.36 57.36 1ii2 h GLU 89 Cb 1.19 0.03 -0.29 0.00 0.50 0.00 0.00 28.75 30.18 1ii2 h GLU 89 CO 0.62 0.78 -0.77 -1.01 -1.00 0.00 0.00 179.01 177.63 1ii2 s HIS 90 N -3.73 0.73 -0.03 4.33 3.76 -1.26 -0.97 115.29 118.11 1ii2 s HIS 90 Ca -0.04 -0.14 0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1ii2 s HIS 90 Cb 0.12 -0.47 -0.01 0.00 1.11 0.00 0.00 32.58 33.33 1ii2 s HIS 90 CO 0.80 -0.02 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.36 1ii2 s LEU 91 N -0.16 1.94 -0.11 0.89 2.96 -0.31 -4.77 118.68 119.12 1ii2 s LEU 91 Ca 0.03 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1ii2 s LEU 91 Cb -0.03 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 1ii2 s LEU 91 CO -0.00 0.15 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.65 1ii2 s PHE 92 N -0.10 2.71 -0.07 5.38 0.08 -0.27 -0.23 117.98 125.47 1ii2 s PHE 92 Ca 0.01 -0.67 0.05 0.00 0.12 0.00 0.00 56.93 56.44 1ii2 s PHE 92 Cb -0.08 -1.76 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 1ii2 s PHE 92 CO 0.01 -0.20 -0.24 0.08 -0.10 0.00 0.00 175.22 174.77 1ii2 s VAL 93 N 0.15 2.15 -0.18 -0.44 1.01 0.56 -0.90 120.40 122.73 1ii2 s VAL 93 Ca -0.09 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1ii2 s VAL 93 Cb -0.15 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ii2 s VAL 93 CO 0.05 0.57 -0.07 -0.69 0.00 0.00 0.00 175.10 174.96 1ii2 s VAL 94 N 0.01 1.32 -0.14 2.92 1.01 -0.12 -0.80 120.40 124.61 1ii2 s VAL 94 Ca -0.08 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1ii2 s VAL 94 Cb -0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1ii2 s VAL 94 CO 0.05 0.13 0.25 -1.81 0.00 0.00 0.00 175.10 173.72 1ii2 s ASP 95 N 1.53 6.44 0.38 3.32 1.01 -1.26 -0.68 116.67 127.41 1ii2 s ASP 95 Ca -0.00 0.52 -0.14 0.00 0.71 0.00 0.00 52.55 53.63 1ii2 s ASP 95 Cb -0.16 -2.15 0.05 0.00 1.01 0.00 0.00 42.92 41.66 1ii2 s ASP 95 CO -0.08 0.20 0.74 0.00 0.21 0.00 0.00 175.17 176.25 1ii2 s PHE 97 N -2.47 2.55 -0.20 0.00 0.08 -0.13 0.21 117.98 118.02 1ii2 s PHE 97 Ca 0.18 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1ii2 s PHE 97 Cb -0.04 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.07 1ii2 s PHE 97 CO 0.13 0.36 -0.15 0.00 -0.10 0.00 0.00 175.22 175.45 1ii2 s ALA 98 N -1.10 2.30 0.00 5.36 0.00 -0.31 -0.93 121.76 127.08 1ii2 s ALA 98 Ca 0.17 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1ii2 s ALA 98 Cb -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1ii2 s ALA 98 CO 0.09 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1ii2 n GLY 99 N 4.59 2.48 0.04 0.00 0.00 0.10 -1.11 105.19 111.29 1ii2 n GLY 99 Ca -0.18 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.72 1ii2 n GLY 99 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ii2 n HIS 100 N 1.68 0.38 -2.94 1.61 -0.00 -0.73 -4.55 115.22 110.67 1ii2 n HIS 100 Ca 0.00 0.11 -0.43 0.00 -0.00 0.00 0.00 57.72 57.40 1ii2 n HIS 100 Cb 0.00 -0.59 -0.05 0.00 -0.00 0.00 0.00 29.99 29.36 1ii2 n HIS 100 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1ii2 s ASP 101 N -3.72 6.34 0.62 0.41 -1.08 -1.26 -4.87 116.67 113.10 1ii2 s ASP 101 Ca 0.10 -0.39 0.30 0.00 -0.52 0.00 0.00 52.55 52.04 1ii2 s ASP 101 Cb 0.15 -2.39 1.64 0.00 -1.46 0.00 0.00 42.92 40.86 1ii2 s ASP 101 CO 0.65 -1.06 2.00 -0.33 0.52 0.00 0.00 175.17 176.95 1ii2 h GLU 102 N 9.14 0.00 -0.00 4.34 5.08 -1.97 -0.12 114.58 131.06 1ii2 h GLU 102 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ii2 h GLU 102 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ii2 h GLU 102 CO 1.02 0.00 -0.06 2.89 -1.00 0.00 0.00 179.01 181.87 1ii2 n ARG 103 N -3.47 0.32 0.00 2.33 1.85 -1.26 -3.84 116.66 112.59 1ii2 n ARG 103 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1ii2 n ARG 103 Cb 0.43 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 1ii2 n ARG 103 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ii2 n TYR 104 N -1.30 0.00 -2.07 2.89 0.53 -0.18 -5.09 117.16 111.94 1ii2 n TYR 104 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.63 1ii2 n TYR 104 Cb 0.29 0.00 0.02 0.00 -1.03 0.00 0.00 39.34 38.62 1ii2 n TYR 104 CO 0.00 0.00 0.00 -0.98 -1.02 0.00 0.00 176.86 174.86 1ii2 s ARG 105 N -0.20 3.15 -0.08 -0.72 1.70 -0.46 -4.92 118.95 117.42 1ii2 s ARG 105 Ca 0.00 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 57.08 1ii2 s ARG 105 Cb 0.00 -2.03 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 1ii2 s ARG 105 CO 0.00 -1.06 -0.06 -0.51 -1.08 0.00 0.00 175.30 172.59 1ii2 s LEU 106 N -3.85 3.20 -0.26 -1.89 1.43 -0.27 -4.91 118.68 112.14 1ii2 s LEU 106 Ca 0.75 -0.02 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 1ii2 s LEU 106 Cb -0.30 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ii2 s LEU 106 CO 0.33 0.34 0.75 -0.54 0.23 0.00 0.00 176.35 177.46 1ii2 s LYS 107 N -0.68 4.12 -0.08 1.70 1.02 -1.26 -1.17 119.74 123.39 1ii2 s LYS 107 Ca 0.10 0.74 0.04 0.00 0.02 0.00 0.00 55.97 56.87 1ii2 s LYS 107 Cb -0.11 -3.66 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1ii2 s LYS 107 CO 0.02 -0.50 -0.20 0.08 -0.92 0.00 0.00 175.35 173.82 1ii2 s VAL 108 N 2.73 2.46 -0.16 3.17 1.01 0.13 -0.25 120.40 129.50 1ii2 s VAL 108 Ca 0.31 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1ii2 s VAL 108 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ii2 s VAL 108 CO 0.08 0.56 -0.13 -0.60 0.00 0.00 0.00 175.10 175.02 1ii2 s ARG 109 N -0.01 3.30 -0.13 2.72 3.52 -0.61 -0.39 118.95 127.34 1ii2 s ARG 109 Ca -0.07 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1ii2 s ARG 109 Cb -0.15 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 1ii2 s ARG 109 CO 0.05 0.03 -0.14 0.08 -0.81 0.00 0.00 175.30 174.50 1ii2 s VAL 110 N 0.82 2.88 -0.20 7.11 1.01 0.14 -0.91 120.40 131.25 1ii2 s VAL 110 Ca -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 1ii2 s VAL 110 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ii2 s VAL 110 CO 0.00 0.52 0.02 -0.36 0.00 0.00 0.00 175.10 175.29 1ii2 s PHE 111 N 0.45 3.10 0.07 5.22 0.08 -0.03 -0.94 117.98 125.92 1ii2 s PHE 111 Ca -0.11 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1ii2 s PHE 111 Cb -0.16 -2.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 1ii2 s PHE 111 CO 0.05 -0.12 -0.05 0.95 -0.10 0.00 0.00 175.22 175.95 1ii2 s THR 112 N 0.82 0.43 -0.14 0.64 -4.23 -0.08 -0.90 115.64 112.18 1ii2 s THR 112 Ca 0.02 -1.69 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 1ii2 s THR 112 Cb -0.14 -1.36 -0.23 0.00 1.34 0.00 0.00 72.50 72.11 1ii2 s THR 112 CO 0.02 -0.83 0.14 0.35 -0.54 0.00 0.00 174.62 173.75 1ii2 n THR 113 N 0.35 0.95 -3.38 3.99 -2.24 -1.26 -1.11 114.28 111.58 1ii2 n THR 113 Ca -0.15 -0.68 -0.38 0.00 -2.27 0.00 0.00 64.05 60.57 1ii2 n THR 113 Cb 0.60 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 1ii2 n THR 113 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ii2 s ARG 114 N -2.61 4.20 0.35 -0.78 0.52 -1.26 -4.86 118.95 114.51 1ii2 s ARG 114 Ca -0.08 0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1ii2 s ARG 114 Cb 0.07 -3.52 0.71 0.00 0.52 0.00 0.00 34.95 32.72 1ii2 s ARG 114 CO 0.73 -0.01 1.94 -1.35 0.02 0.00 0.00 175.30 176.63 1ii2 h PRO 115 N 7.26 0.78 0.00 3.54 0.11 -1.90 -2.01 132.00 139.78 1ii2 h PRO 115 Ca -0.37 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1ii2 h PRO 115 Cb 1.16 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1ii2 h PRO 115 CO 0.73 0.52 -0.28 0.10 -0.21 0.00 0.00 178.00 178.85 1ii2 h TYR 116 N 0.80 0.00 -0.09 0.65 -0.00 -1.94 -0.65 116.97 115.75 1ii2 h TYR 116 Ca 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.98 1ii2 h TYR 116 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.02 1ii2 h TYR 116 CO -0.00 0.28 -0.37 0.45 -0.00 0.00 0.00 178.16 178.52 1ii2 h HIS 117 N 0.00 0.21 -0.08 0.10 3.86 -1.78 0.37 115.15 117.82 1ii2 h HIS 117 Ca -0.00 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1ii2 h HIS 117 Cb 0.52 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1ii2 h HIS 117 CO 0.00 0.53 -0.22 0.00 0.86 0.00 0.00 177.93 179.10 1ii2 h ALA 118 N 1.46 0.14 -0.93 2.45 0.00 -1.14 -2.06 119.26 119.19 1ii2 h ALA 118 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ii2 h ALA 118 Cb 0.73 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1ii2 h ALA 118 CO 0.06 0.11 0.53 1.25 0.00 0.00 0.00 179.25 181.20 1ii2 h LEU 119 N -0.18 1.14 -0.21 0.00 5.85 -0.94 -0.03 115.31 120.94 1ii2 h LEU 119 Ca -0.00 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1ii2 h LEU 119 Cb 0.83 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1ii2 h LEU 119 CO 0.05 0.89 -0.04 0.15 -0.34 0.00 0.00 178.44 179.15 1ii2 h PHE 120 N 1.29 -0.08 0.00 1.25 3.57 -0.19 -0.40 116.94 122.39 1ii2 h PHE 120 Ca 0.33 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.77 1ii2 h PHE 120 Cb -0.01 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1ii2 h PHE 120 CO 0.01 -0.07 -0.37 0.52 -2.23 0.00 0.00 178.31 176.17 1ii2 h MET 121 N 0.02 0.00 -0.52 1.11 2.86 -0.91 0.38 114.93 117.86 1ii2 h MET 121 Ca 0.10 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1ii2 h MET 121 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1ii2 h MET 121 CO -0.20 0.37 -0.13 -0.09 1.06 0.00 0.00 176.91 177.92 1ii2 h ARG 122 N 0.00 1.00 0.04 1.72 2.43 -0.40 -1.93 114.38 117.23 1ii2 h ARG 122 Ca -0.00 -0.38 -0.19 0.00 -0.81 0.00 0.00 59.98 58.61 1ii2 h ARG 122 Cb 0.91 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1ii2 h ARG 122 CO 0.05 1.05 -0.75 -0.44 -1.51 0.00 0.00 179.97 178.38 1ii2 h ASP 123 N 0.88 0.60 1.42 -3.80 3.32 -0.72 -3.37 116.42 114.74 1ii2 h ASP 123 Ca 0.13 -0.80 -0.04 0.00 0.02 0.00 0.00 57.03 56.35 1ii2 h ASP 123 Cb 0.69 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ii2 h ASP 123 CO 0.05 1.32 -0.19 0.24 -1.72 0.00 0.00 179.24 178.94 1ii2 h MET 124 N -0.06 0.00 0.00 3.56 2.86 -0.24 -2.73 114.93 118.32 1ii2 h MET 124 Ca -0.10 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.07 1ii2 h MET 124 Cb 1.47 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.06 1ii2 h MET 124 CO 0.15 0.19 -0.30 1.28 1.06 0.00 0.00 176.91 179.29 1ii2 n LEU 125 N -3.21 0.00 -4.66 1.22 4.77 -0.73 -0.41 117.00 113.97 1ii2 n LEU 125 Ca 0.02 -2.25 -0.40 0.00 -0.03 0.00 0.00 56.01 53.35 1ii2 n LEU 125 Cb 0.52 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1ii2 n LEU 125 CO 0.34 -0.39 0.42 -0.63 -1.33 0.00 0.00 177.39 175.80 1ii2 s ILE 126 N -2.22 4.99 -0.10 -0.08 1.01 -0.11 -3.99 121.20 120.71 1ii2 s ILE 126 Ca 0.08 1.27 -0.30 0.00 0.00 0.00 0.00 60.65 61.71 1ii2 s ILE 126 Cb -0.01 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1ii2 s ILE 126 CO 0.05 0.10 1.23 -0.69 0.00 0.00 0.00 174.94 175.62 1ii2 s VAL 127 N 1.94 4.26 0.66 2.92 1.01 -1.26 -0.96 120.40 128.98 1ii2 s VAL 127 Ca 0.31 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.72 1ii2 s VAL 127 Cb -0.16 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ii2 s VAL 127 CO 0.11 -0.06 1.07 -2.84 0.00 0.00 0.00 175.10 173.38 1ii2 s PRO 128 N 2.74 2.94 0.68 2.72 0.02 -1.26 -4.96 135.00 137.88 1ii2 s PRO 128 Ca 0.55 1.17 -0.12 0.00 0.02 0.00 0.00 61.00 62.62 1ii2 s PRO 128 Cb -0.23 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1ii2 s PRO 128 CO 0.19 -1.11 1.07 0.95 -0.33 0.00 0.00 177.00 177.76 1ii2 s THR 129 N -2.67 3.84 0.37 0.99 -4.23 -1.26 -4.80 115.64 107.88 1ii2 s THR 129 Ca 0.62 0.68 0.11 0.00 -1.18 0.00 0.00 61.69 61.93 1ii2 s THR 129 Cb -0.16 -3.32 0.34 0.00 1.34 0.00 0.00 72.50 70.70 1ii2 s THR 129 CO 0.46 -0.70 1.86 -0.65 -0.54 0.00 0.00 174.62 175.05 1ii2 h PRO 130 N -0.43 0.59 -0.29 3.99 0.11 -2.00 -0.23 132.00 133.74 1ii2 h PRO 130 Ca -0.45 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1ii2 h PRO 130 Cb 1.22 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ii2 h PRO 130 CO 0.56 0.39 0.13 0.93 -0.21 0.00 0.00 178.00 179.79 1ii2 h GLU 131 N 0.61 0.43 -0.30 1.05 3.07 -2.00 -1.95 114.58 115.48 1ii2 h GLU 131 Ca 0.46 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.21 1ii2 h GLU 131 Cb 0.86 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1ii2 h GLU 131 CO -0.21 0.43 -0.00 0.93 -1.40 0.00 0.00 179.01 178.76 1ii2 h GLU 132 N 0.32 0.45 -0.48 2.33 5.08 -1.44 -2.25 114.58 118.60 1ii2 h GLU 132 Ca 0.10 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1ii2 h GLU 132 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ii2 h GLU 132 CO -0.01 0.48 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.19 1ii2 h LEU 133 N 0.44 1.01 -1.36 1.33 3.38 -0.96 0.34 115.31 119.49 1ii2 h LEU 133 Ca 0.10 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1ii2 h LEU 133 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ii2 h LEU 133 CO 0.01 1.18 -0.03 0.00 0.09 0.00 0.00 178.44 179.68 1ii2 h ALA 134 N 0.89 1.48 -0.37 1.53 0.00 -0.86 -2.27 119.26 119.66 1ii2 h ALA 134 Ca 0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1ii2 h ALA 134 Cb 0.79 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1ii2 h ALA 134 CO 0.07 0.37 0.02 0.25 0.00 0.00 0.00 179.25 179.96 1ii2 n THR 135 N -4.30 2.48 -0.18 0.00 -2.24 -0.89 -4.65 114.28 104.49 1ii2 n THR 135 Ca 0.01 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.59 1ii2 n THR 135 Cb 0.23 -0.30 0.25 0.00 -2.10 0.00 0.00 70.33 68.42 1ii2 n THR 135 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ii2 h PHE 136 N 1.51 0.89 0.00 4.78 3.04 0.29 -3.47 116.94 123.98 1ii2 h PHE 136 Ca 0.14 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1ii2 h PHE 136 Cb 1.67 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 39.88 1ii2 h PHE 136 CO 0.81 0.59 0.00 0.41 -2.02 0.00 0.00 178.31 178.10 1ii2 n GLY 137 N -1.34 2.92 3.70 2.40 0.00 -1.26 -4.57 105.19 107.03 1ii2 n GLY 137 Ca 0.07 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1ii2 n GLY 137 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ii2 s GLU 138 N 0.00 4.37 0.60 1.61 2.12 -1.26 -5.05 118.70 121.10 1ii2 s GLU 138 Ca 0.00 0.88 -0.17 0.00 0.36 0.00 0.00 54.97 56.04 1ii2 s GLU 138 Cb 0.00 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1ii2 s GLU 138 CO 0.00 -0.08 1.12 -1.25 -0.54 0.00 0.00 175.26 174.51 1ii2 s PRO 139 N 1.31 3.06 0.15 4.30 0.04 -1.26 -4.95 135.00 137.65 1ii2 s PRO 139 Ca 0.37 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.93 1ii2 s PRO 139 Cb -0.17 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1ii2 s PRO 139 CO 0.16 -1.06 1.34 -0.44 0.04 0.00 0.00 177.00 177.04 1ii2 h ASP 140 N 0.61 0.32 -4.65 6.66 3.32 -0.99 -3.46 116.42 118.23 1ii2 h ASP 140 Ca -0.48 -0.26 -0.22 0.00 0.02 0.00 0.00 57.03 56.08 1ii2 h ASP 140 Cb 1.26 -0.10 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 1ii2 h ASP 140 CO 0.55 1.08 -0.72 -0.31 -1.72 0.00 0.00 179.24 178.12 1ii2 s TYR 141 N -3.17 0.36 -0.05 4.55 2.02 -0.80 -4.79 117.35 115.47 1ii2 s TYR 141 Ca -0.03 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1ii2 s TYR 141 Cb 0.10 -0.24 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 1ii2 s TYR 141 CO 0.84 -0.12 -0.14 0.08 -1.57 0.00 0.00 175.55 174.64 1ii2 s VAL 142 N -1.12 1.22 -0.20 0.71 1.01 -0.88 -1.58 120.40 119.56 1ii2 s VAL 142 Ca -0.10 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1ii2 s VAL 142 Cb -0.08 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1ii2 s VAL 142 CO -0.00 0.36 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1ii2 s ILE 143 N 0.24 3.34 -0.62 2.22 1.01 -0.09 -0.81 121.20 126.48 1ii2 s ILE 143 Ca -0.07 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1ii2 s ILE 143 Cb -0.12 -2.50 0.16 0.00 0.01 0.00 0.00 42.46 40.01 1ii2 s ILE 143 CO 0.02 0.44 0.54 -0.31 0.00 0.00 0.00 174.94 175.63 1ii2 s TYR 144 N 1.27 3.48 -0.99 3.97 1.51 0.04 -0.85 117.35 125.79 1ii2 s TYR 144 Ca 0.03 -1.83 -0.18 0.00 -1.01 0.00 0.00 57.07 54.09 1ii2 s TYR 144 Cb -0.14 -3.66 0.14 0.00 -0.11 0.00 0.00 41.96 38.19 1ii2 s TYR 144 CO -0.02 -0.98 1.18 1.21 -1.11 0.00 0.00 175.55 175.83 1ii2 s ASN 145 N 2.57 6.72 -0.47 2.29 3.84 -0.08 -1.78 114.94 128.04 1ii2 s ASN 145 Ca 0.10 -2.25 0.03 0.00 0.21 0.00 0.00 52.86 50.95 1ii2 s ASN 145 Cb -0.22 -2.40 0.58 0.00 -0.55 0.00 0.00 41.25 38.67 1ii2 s ASN 145 CO -0.02 -0.99 1.85 0.00 -2.79 0.00 0.00 177.10 175.15 1ii2 n ALA 146 N 6.31 5.58 -0.12 1.71 0.00 -0.30 -4.02 120.51 129.67 1ii2 n ALA 146 Ca 0.26 -3.12 0.27 0.00 0.00 0.00 0.00 53.44 50.85 1ii2 n ALA 146 Cb 0.48 -1.38 0.72 0.00 0.00 0.00 0.00 19.45 19.27 1ii2 n ALA 146 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ii2 h GLY 147 N 1.29 0.00 1.84 0.00 0.00 -1.62 0.22 103.07 104.81 1ii2 h GLY 147 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1ii2 h GLY 147 CO 1.11 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.83 1ii2 n GLU 148 N -4.20 0.11 -4.42 4.80 1.02 -1.26 -1.58 120.64 115.11 1ii2 n GLU 148 Ca 0.16 0.14 -0.34 0.00 -0.02 0.00 0.00 57.16 57.10 1ii2 n GLU 148 Cb 0.89 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.69 1ii2 n GLU 148 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ii2 s LYS 150 N -0.05 3.45 0.42 0.00 1.02 -1.26 -0.67 119.74 122.65 1ii2 s LYS 150 Ca 0.02 1.50 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1ii2 s LYS 150 Cb -0.13 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1ii2 s LYS 150 CO 0.02 -0.75 0.64 0.00 -0.92 0.00 0.00 175.35 174.35 1ii2 s ALA 151 N -1.91 3.72 -0.56 5.17 0.00 0.09 -4.81 121.76 123.47 1ii2 s ALA 151 Ca 0.70 -0.99 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1ii2 s ALA 151 Cb -0.21 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 20.80 1ii2 s ALA 151 CO 0.26 -0.27 1.02 0.34 0.00 0.00 0.00 175.76 177.11 1ii2 s ASP 152 N -4.16 6.38 0.67 0.00 -1.08 -1.26 -4.54 116.67 112.68 1ii2 s ASP 152 Ca 0.46 -0.19 0.45 0.00 -0.52 0.00 0.00 52.55 52.74 1ii2 s ASP 152 Cb -0.10 -2.47 2.43 0.00 -1.46 0.00 0.00 42.92 41.32 1ii2 s ASP 152 CO 0.38 -1.30 2.37 1.55 0.52 0.00 0.00 175.17 178.69 1ii2 h PRO 153 N 9.37 0.00 0.00 4.34 0.13 -1.93 -1.18 132.00 142.73 1ii2 h PRO 153 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ii2 h PRO 153 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ii2 h PRO 153 CO 1.12 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.76 1ii2 n SER 154 N -3.08 0.55 -4.68 1.44 3.41 -1.26 -4.53 113.62 105.46 1ii2 n SER 154 Ca -0.03 0.58 -0.45 0.00 -0.26 0.00 0.00 58.87 58.71 1ii2 n SER 154 Cb 0.07 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.26 1ii2 n SER 154 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ii2 n ILE 155 N -2.05 0.11 -1.68 -1.33 5.41 -0.45 -4.85 119.36 114.53 1ii2 n ILE 155 Ca 0.04 -0.02 -0.46 0.00 1.00 0.00 0.00 62.75 63.31 1ii2 n ILE 155 Cb 0.33 -1.74 -0.04 0.00 -0.71 0.00 0.00 39.64 37.47 1ii2 n ILE 155 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1ii2 n PRO 156 N 4.18 2.25 0.00 0.38 -0.02 -1.26 -1.69 135.00 138.84 1ii2 n PRO 156 Ca 0.18 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1ii2 n PRO 156 Cb 0.31 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1ii2 n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ii2 n GLY 157 N 3.91 2.38 3.92 -1.23 0.00 -1.26 -4.77 105.19 108.13 1ii2 n GLY 157 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1ii2 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 158 N 0.00 3.95 0.00 0.99 1.02 -0.68 -5.00 118.68 118.96 1ii2 s LEU 158 Ca 0.00 0.68 0.00 0.00 0.02 0.00 0.00 54.13 54.83 1ii2 s LEU 158 Cb 0.00 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.66 1ii2 s LEU 158 CO 0.00 -0.31 0.54 0.35 0.02 0.00 0.00 176.35 176.95 1ii2 n THR 159 N -1.50 0.29 -3.63 5.49 -2.24 -1.26 -4.87 114.28 106.56 1ii2 n THR 159 Ca -0.02 -0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1ii2 n THR 159 Cb 0.55 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 1ii2 n THR 159 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ii2 n SER 160 N -0.15 -1.22 -0.16 3.42 3.41 -1.26 -5.00 113.62 112.66 1ii2 n SER 160 Ca 0.00 -1.73 0.08 0.00 -0.26 0.00 0.00 58.87 56.96 1ii2 n SER 160 Cb 0.27 2.00 0.43 0.00 -0.26 0.00 0.00 64.21 66.64 1ii2 n SER 160 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ii2 n THR 161 N -0.41 0.07 -4.53 6.66 -2.24 -1.26 -4.09 114.28 108.49 1ii2 n THR 161 Ca -0.03 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1ii2 n THR 161 Cb 0.37 -0.07 -0.11 0.00 -2.10 0.00 0.00 70.33 68.41 1ii2 n THR 161 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ii2 s THR 162 N -1.93 3.85 -0.20 4.28 2.01 -1.26 -0.73 115.64 121.66 1ii2 s THR 162 Ca 0.25 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 1ii2 s THR 162 Cb 0.12 -2.61 0.08 0.00 0.01 0.00 0.00 72.50 70.11 1ii2 s THR 162 CO 0.20 0.57 0.43 0.00 -0.69 0.00 0.00 174.62 175.13 1ii2 s VAL 164 N 2.23 2.01 -0.08 0.00 1.01 -0.97 -0.72 120.40 123.89 1ii2 s VAL 164 Ca -0.04 -2.59 0.01 0.00 0.00 0.00 0.00 61.98 59.35 1ii2 s VAL 164 Cb -0.11 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1ii2 s VAL 164 CO -0.13 -0.74 -0.07 0.00 0.00 0.00 0.00 175.10 174.15 1ii2 s ALA 165 N 0.48 2.94 -0.13 5.51 0.00 -0.39 -1.07 121.76 129.10 1ii2 s ALA 165 Ca 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.24 1ii2 s ALA 165 Cb -0.22 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1ii2 s ALA 165 CO -0.06 0.53 -0.21 -1.17 0.00 0.00 0.00 175.76 174.85 1ii2 s LEU 166 N -0.66 2.16 -0.33 0.00 2.96 -0.27 -0.74 118.68 121.79 1ii2 s LEU 166 Ca 0.10 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1ii2 s LEU 166 Cb -0.11 -1.45 0.07 0.00 0.50 0.00 0.00 46.19 45.19 1ii2 s LEU 166 CO 0.02 0.10 0.06 0.21 -1.32 0.00 0.00 176.35 175.42 1ii2 s ASN 167 N 0.70 4.99 0.47 3.68 3.84 -0.04 -0.88 114.94 127.70 1ii2 s ASN 167 Ca -0.10 -1.55 0.26 0.00 0.21 0.00 0.00 52.86 51.69 1ii2 s ASN 167 Cb -0.16 -1.74 1.05 0.00 -0.55 0.00 0.00 41.25 39.85 1ii2 s ASN 167 CO 0.01 -0.35 1.88 -0.26 -2.79 0.00 0.00 177.10 175.59 1ii2 h PHE 168 N 7.99 0.00 0.08 0.43 0.04 -1.87 0.24 116.94 123.84 1ii2 h PHE 168 Ca -0.18 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 1ii2 h PHE 168 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1ii2 h PHE 168 CO 0.59 0.17 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.21 1ii2 h LYS 169 N 0.00 -0.10 -0.00 1.51 3.64 -1.94 -3.28 116.57 116.40 1ii2 h LYS 169 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ii2 h LYS 169 Cb 0.67 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1ii2 h LYS 169 CO 0.02 0.43 -0.34 0.25 -2.27 0.00 0.00 179.45 177.54 1ii2 n THR 170 N -4.85 0.00 -3.37 1.00 -2.24 -1.22 -4.98 114.28 98.61 1ii2 n THR 170 Ca -0.08 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 1ii2 n THR 170 Cb 0.29 0.28 0.05 0.00 -2.10 0.00 0.00 70.33 68.85 1ii2 n THR 170 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ii2 n ARG 171 N -1.04 -1.74 -3.90 -0.78 1.74 0.79 -4.89 116.66 106.84 1ii2 n ARG 171 Ca 0.09 0.85 -0.11 0.00 -0.77 0.00 0.00 57.85 57.92 1ii2 n ARG 171 Cb 0.34 -5.15 -0.10 0.00 -1.02 0.00 0.00 32.46 26.53 1ii2 n ARG 171 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ii2 s GLU 172 N -4.66 0.43 -0.07 5.56 2.02 -0.81 -2.07 118.70 119.10 1ii2 s GLU 172 Ca 0.37 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.95 1ii2 s GLU 172 Cb -0.08 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1ii2 s GLU 172 CO 0.79 -0.10 -0.19 -1.14 0.02 0.00 0.00 175.26 174.64 1ii2 s GLN 173 N -1.38 2.26 -0.12 1.61 0.74 0.01 -0.86 119.66 121.93 1ii2 s GLN 173 Ca -0.15 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.58 1ii2 s GLN 173 Cb -0.08 -1.84 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 1ii2 s GLN 173 CO 0.01 0.20 -0.16 0.08 -0.55 0.00 0.00 175.29 174.87 1ii2 s VAL 174 N 0.23 2.76 -0.12 1.34 1.01 0.08 -0.78 120.40 124.91 1ii2 s VAL 174 Ca -0.10 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1ii2 s VAL 174 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.11 1ii2 s VAL 174 CO 0.05 0.54 -0.21 -0.63 0.00 0.00 0.00 175.10 174.84 1ii2 s ILE 175 N 0.30 1.96 -0.02 2.22 1.01 -0.73 -1.26 121.20 124.67 1ii2 s ILE 175 Ca -0.12 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1ii2 s ILE 175 Cb -0.16 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1ii2 s ILE 175 CO 0.06 0.53 0.07 -0.76 0.00 0.00 0.00 174.94 174.85 1ii2 s LEU 176 N 0.72 1.76 -0.76 2.97 1.43 0.10 -1.15 118.68 123.75 1ii2 s LEU 176 Ca -0.10 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1ii2 s LEU 176 Cb -0.16 0.29 0.00 0.00 0.03 0.00 0.00 46.19 46.35 1ii2 s LEU 176 CO 0.01 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1ii2 n GLY 177 N 2.67 0.13 3.64 -3.19 0.00 0.16 -0.15 105.19 108.45 1ii2 n GLY 177 Ca -0.15 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 1ii2 n GLY 177 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ii2 s THR 178 N -2.42 0.00 -0.93 2.61 -1.32 -0.62 -4.54 115.64 108.42 1ii2 s THR 178 Ca 0.00 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 1ii2 s THR 178 Cb 0.00 -1.00 0.50 0.00 -1.51 0.00 0.00 72.50 70.49 1ii2 s THR 178 CO 0.00 0.00 1.42 -0.62 -2.21 0.00 0.00 174.62 173.21 1ii2 n GLU 179 N 3.67 3.10 -2.30 7.08 1.02 -1.26 -4.27 120.64 127.68 1ii2 n GLU 179 Ca -0.18 -2.50 -0.43 0.00 -0.02 0.00 0.00 57.16 54.03 1ii2 n GLU 179 Cb 0.58 -1.58 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1ii2 n GLU 179 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1ii2 s TYR 180 N -1.60 2.55 0.44 -0.32 5.04 -1.26 -4.75 117.35 117.46 1ii2 s TYR 180 Ca 0.37 0.76 0.11 0.00 -2.44 0.00 0.00 57.07 55.87 1ii2 s TYR 180 Cb 0.23 -3.71 0.99 0.00 0.35 0.00 0.00 41.96 39.83 1ii2 s TYR 180 CO 0.18 -2.31 2.07 0.00 -1.34 0.00 0.00 175.55 174.16 1ii2 h ALA 181 N 8.96 1.84 -0.16 3.97 0.00 -1.92 -2.75 119.26 129.20 1ii2 h ALA 181 Ca -0.30 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ii2 h ALA 181 Cb 1.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ii2 h ALA 181 CO 0.98 0.12 0.25 0.78 0.00 0.00 0.00 179.25 181.38 1ii2 h GLY 182 N 0.39 0.00 1.27 0.00 0.00 -1.96 -1.77 103.07 100.99 1ii2 h GLY 182 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ii2 h GLY 182 CO -0.03 0.00 0.48 0.83 0.00 0.00 0.00 176.54 177.82 1ii2 h GLU 183 N 0.00 0.98 0.01 4.80 4.39 -1.87 0.74 114.58 123.63 1ii2 h GLU 183 Ca 0.08 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ii2 h GLU 183 Cb 0.57 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ii2 h GLU 183 CO -0.00 0.66 -0.00 0.52 -1.16 0.00 0.00 179.01 179.03 1ii2 h MET 184 N 1.01 -0.01 -0.08 2.33 2.86 -1.54 -2.18 114.93 117.32 1ii2 h MET 184 Ca 0.27 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.94 1ii2 h MET 184 Cb -0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 1ii2 h MET 184 CO -0.06 0.43 -0.08 -0.22 1.06 0.00 0.00 176.91 178.04 1ii2 h LYS 185 N -0.45 -0.10 0.00 1.72 3.64 -1.51 -2.13 116.57 117.74 1ii2 h LYS 185 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ii2 h LYS 185 Cb 0.45 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ii2 h LYS 185 CO 0.00 -0.07 0.00 0.87 -2.27 0.00 0.00 179.45 177.99 1ii2 h LYS 186 N -0.10 0.00 -0.18 1.90 1.79 -0.93 -2.35 116.57 116.70 1ii2 h LYS 186 Ca 0.06 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.41 1ii2 h LYS 186 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1ii2 h LYS 186 CO -0.15 0.00 -0.36 0.78 -1.08 0.00 0.00 179.45 178.64 1ii2 h GLY 187 N 2.50 0.62 1.42 3.86 0.00 -0.73 -1.30 103.07 109.46 1ii2 h GLY 187 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1ii2 h GLY 187 CO 0.00 0.66 -0.11 -2.22 0.00 0.00 0.00 176.54 174.87 1ii2 h ILE 188 N 0.23 1.25 -0.43 2.60 1.08 -1.14 -1.29 117.51 119.80 1ii2 h ILE 188 Ca 0.01 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1ii2 h ILE 188 Cb 0.96 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1ii2 h ILE 188 CO 0.08 0.38 0.21 0.25 -0.69 0.00 0.00 178.15 178.38 1ii2 h LEU 189 N 0.63 0.56 -0.78 1.44 5.85 -1.33 -0.90 115.31 120.78 1ii2 h LEU 189 Ca 0.11 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ii2 h LEU 189 Cb 0.55 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1ii2 h LEU 189 CO 0.03 0.53 0.50 0.74 -0.34 0.00 0.00 178.44 179.90 1ii2 h THR 190 N 0.56 1.14 -0.46 1.05 2.02 -0.78 0.12 112.91 116.56 1ii2 h THR 190 Ca 0.15 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1ii2 h THR 190 Cb 0.11 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1ii2 h THR 190 CO -0.02 0.18 0.30 0.58 0.37 0.00 0.00 175.52 176.93 1ii2 h VAL 191 N 0.99 1.10 -0.11 3.16 2.07 -0.80 -1.85 116.25 120.82 1ii2 h VAL 191 Ca 0.30 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 1ii2 h VAL 191 Cb -0.03 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ii2 h VAL 191 CO -0.09 0.11 -0.13 0.24 0.02 0.00 0.00 177.57 177.72 1ii2 h MET 192 N 0.61 0.17 0.00 1.57 2.07 -0.26 0.08 114.93 119.16 1ii2 h MET 192 Ca 0.17 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1ii2 h MET 192 Cb -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 1ii2 h MET 192 CO -0.04 0.31 0.00 1.19 1.07 0.00 0.00 176.91 179.43 1ii2 n PHE 193 N -4.30 0.00 -0.02 -0.22 3.72 -0.06 -1.48 117.46 115.10 1ii2 n PHE 193 Ca -0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.36 1ii2 n PHE 193 Cb 0.25 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1ii2 n PHE 193 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1ii2 n GLU 194 N -1.14 0.07 -0.26 -1.08 4.07 -0.64 -4.25 120.64 117.41 1ii2 n GLU 194 Ca 0.10 0.03 -0.06 0.00 -0.06 0.00 0.00 57.16 57.16 1ii2 n GLU 194 Cb 0.09 -0.80 0.07 0.00 -0.06 0.00 0.00 31.44 30.73 1ii2 n GLU 194 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1ii2 h LEU 195 N -0.07 1.07 -0.46 4.31 3.38 -1.01 -2.61 115.31 119.92 1ii2 h LEU 195 Ca -0.08 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 1ii2 h LEU 195 Cb 1.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ii2 h LEU 195 CO -0.03 1.00 0.00 0.24 0.09 0.00 0.00 178.44 179.74 1ii2 h MET 196 N 1.08 0.81 -0.85 1.13 2.86 -1.49 -2.53 114.93 115.94 1ii2 h MET 196 Ca 0.23 -0.26 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1ii2 h MET 196 Cb 0.33 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.86 1ii2 h MET 196 CO -0.00 0.86 0.55 -1.35 1.06 0.00 0.00 176.91 178.03 1ii2 h PRO 197 N 0.66 0.87 -0.12 -0.22 0.11 -1.59 0.90 132.00 132.61 1ii2 h PRO 197 Ca 0.13 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.22 1ii2 h PRO 197 Cb 0.50 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1ii2 h PRO 197 CO 0.02 0.57 0.09 1.96 -0.21 0.00 0.00 178.00 180.43 1ii2 h GLN 198 N 0.89 0.00 -0.50 1.05 4.20 -1.07 0.12 115.11 119.80 1ii2 h GLN 198 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1ii2 h GLN 198 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ii2 h GLN 198 CO -0.15 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.68 1ii2 n MET 199 N -4.42 3.16 -3.43 1.46 2.81 0.02 -4.96 117.12 111.76 1ii2 n MET 199 Ca -0.00 -2.56 -0.25 0.00 -1.81 0.00 0.00 57.70 53.07 1ii2 n MET 199 Cb 0.21 -1.62 0.02 0.00 -0.71 0.00 0.00 33.22 31.11 1ii2 n MET 199 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1ii2 n ASN 200 N 0.76 -4.80 -4.79 7.83 5.15 0.42 -4.99 115.26 114.84 1ii2 n ASN 200 Ca 0.20 -0.48 -0.29 0.00 -0.60 0.00 0.00 54.58 53.41 1ii2 n ASN 200 Cb 0.69 -3.89 -0.06 0.00 -0.53 0.00 0.00 39.78 35.99 1ii2 n ASN 200 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ii2 s HIS 201 N -3.12 3.18 -0.40 1.20 3.76 0.10 -4.98 115.29 115.03 1ii2 s HIS 201 Ca 0.46 0.05 -0.19 0.00 -0.15 0.00 0.00 55.06 55.23 1ii2 s HIS 201 Cb -0.23 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.89 1ii2 s HIS 201 CO 0.56 0.52 0.53 -1.17 -0.85 0.00 0.00 174.74 174.33 1ii2 s LEU 202 N -2.62 4.58 0.11 0.89 2.96 -0.79 -3.66 118.68 120.14 1ii2 s LEU 202 Ca 0.30 -0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.55 1ii2 s LEU 202 Cb -0.11 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.95 1ii2 s LEU 202 CO 0.23 -0.62 0.94 0.00 -1.32 0.00 0.00 176.35 175.58 1ii2 s MET 204 N -0.10 1.37 -1.25 0.00 1.00 0.22 -4.96 119.30 115.58 1ii2 s MET 204 Ca 0.46 -0.44 -0.09 0.00 0.00 0.00 0.00 55.69 55.62 1ii2 s MET 204 Cb -0.23 -1.22 0.18 0.00 0.00 0.00 0.00 34.83 33.56 1ii2 s MET 204 CO 0.29 0.16 1.77 1.58 0.00 0.00 0.00 175.02 178.82 1ii2 n HIS 205 N 3.29 3.17 -3.86 -0.03 -0.00 -1.26 -1.84 115.22 114.70 1ii2 n HIS 205 Ca -0.19 -2.86 -0.10 0.00 0.46 0.00 0.00 57.72 55.03 1ii2 n HIS 205 Cb 0.53 -1.90 -0.09 0.00 -0.12 0.00 0.00 29.99 28.42 1ii2 n HIS 205 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ii2 s ALA 206 N 0.17 -0.32 0.65 1.57 0.00 -0.94 -2.49 121.76 120.39 1ii2 s ALA 206 Ca 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ii2 s ALA 206 Cb 0.07 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.53 1ii2 s ALA 206 CO 0.01 -0.35 0.91 -1.54 0.00 0.00 0.00 175.76 174.79 1ii2 s SER 207 N -2.05 4.81 -0.04 0.00 1.04 -0.42 -2.99 113.70 114.05 1ii2 s SER 207 Ca -0.06 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.01 1ii2 s SER 207 Cb -0.01 -0.57 0.07 0.00 0.10 0.00 0.00 66.02 65.60 1ii2 s SER 207 CO -0.04 -1.52 0.66 0.00 0.98 0.00 0.00 173.24 173.32 1ii2 s ALA 208 N -3.01 -1.72 0.19 5.32 0.00 0.20 -0.98 121.76 121.77 1ii2 s ALA 208 Ca 0.61 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 1ii2 s ALA 208 Cb -0.08 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1ii2 s ALA 208 CO 0.42 -0.39 0.42 0.54 0.00 0.00 0.00 175.76 176.75 1ii2 s ASN 209 N -1.29 -0.10 0.02 0.00 2.20 -0.85 -1.21 114.94 113.72 1ii2 s ASN 209 Ca -0.10 -0.73 0.04 0.00 -0.94 0.00 0.00 52.86 51.12 1ii2 s ASN 209 Cb -0.00 0.52 -0.02 0.00 -2.00 0.00 0.00 41.25 39.76 1ii2 s ASN 209 CO 0.08 -1.01 -0.12 0.54 -2.94 0.00 0.00 177.10 173.65 1ii2 s VAL 210 N -3.94 0.98 0.77 3.54 0.11 -0.08 -1.33 120.40 120.45 1ii2 s VAL 210 Ca 0.15 -0.80 -0.08 0.00 -2.93 0.00 0.00 61.98 58.33 1ii2 s VAL 210 Cb 0.01 -0.87 0.11 0.00 -1.53 0.00 0.00 36.38 34.10 1ii2 s VAL 210 CO 0.01 0.07 1.09 -0.83 -3.33 0.00 0.00 175.10 172.11 1ii2 s GLY 211 N -0.83 1.73 0.39 6.54 0.00 -0.16 -0.85 107.32 114.14 1ii2 s GLY 211 Ca 0.02 -1.17 0.11 0.00 0.00 0.00 0.00 44.72 43.68 1ii2 s GLY 211 CO 0.01 -0.64 1.92 1.70 0.00 0.00 0.00 173.10 176.08 1ii2 h LYS 212 N -0.84 0.57 -0.01 2.90 1.63 -1.91 0.66 116.57 119.57 1ii2 h LYS 212 Ca -0.43 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1ii2 h LYS 212 Cb 1.29 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1ii2 h LYS 212 CO 0.50 0.37 0.00 1.04 -3.45 0.00 0.00 179.45 177.92 1ii2 n GLN 213 N -4.50 1.11 -0.55 1.90 1.13 -1.26 -4.89 117.38 110.31 1ii2 n GLN 213 Ca 0.14 -0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1ii2 n GLN 213 Cb 0.43 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1ii2 n GLN 213 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ii2 n GLY 214 N 0.98 0.75 3.69 1.08 0.00 0.22 -5.03 105.19 106.87 1ii2 n GLY 214 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1ii2 n GLY 214 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ii2 s ASP 215 N -2.46 7.12 -0.07 1.61 -4.77 -1.26 -4.68 116.67 112.17 1ii2 s ASP 215 Ca 0.00 1.70 -0.12 0.00 -3.30 0.00 0.00 52.55 50.83 1ii2 s ASP 215 Cb 0.00 -2.56 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 1ii2 s ASP 215 CO 0.00 -0.54 0.29 -0.69 0.70 0.00 0.00 175.17 174.93 1ii2 s VAL 216 N 2.21 5.25 -0.00 2.11 1.01 -1.26 -0.99 120.40 128.72 1ii2 s VAL 216 Ca 0.53 0.56 0.06 0.00 0.00 0.00 0.00 61.98 63.12 1ii2 s VAL 216 Cb -0.22 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1ii2 s VAL 216 CO 0.20 0.57 -0.19 -0.89 0.00 0.00 0.00 175.10 174.79 1ii2 s THR 217 N -0.85 1.48 0.06 3.92 2.01 -0.44 -0.12 115.64 121.71 1ii2 s THR 217 Ca 0.19 -0.86 0.09 0.00 0.31 0.00 0.00 61.69 61.43 1ii2 s THR 217 Cb -0.14 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1ii2 s THR 217 CO 0.08 0.37 -0.24 0.68 -0.69 0.00 0.00 174.62 174.82 1ii2 s VAL 218 N -0.50 1.99 -0.25 3.82 -7.23 -0.94 -2.00 120.40 115.29 1ii2 s VAL 218 Ca 0.07 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1ii2 s VAL 218 Cb -0.07 -1.73 0.07 0.00 0.56 0.00 0.00 36.38 35.20 1ii2 s VAL 218 CO -0.00 0.24 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.63 1ii2 s PHE 219 N -0.87 2.55 0.26 2.82 0.40 -0.15 -0.91 117.98 122.08 1ii2 s PHE 219 Ca 0.10 -1.92 -0.24 0.00 -0.60 0.00 0.00 56.93 54.27 1ii2 s PHE 219 Cb -0.10 -1.74 -0.09 0.00 0.51 0.00 0.00 43.02 41.60 1ii2 s PHE 219 CO 0.03 -0.81 0.85 -0.06 0.70 0.00 0.00 175.22 175.93 1ii2 s PHE 220 N 1.34 3.74 0.00 0.36 0.40 0.13 -1.30 117.98 122.65 1ii2 s PHE 220 Ca -0.04 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 1ii2 s PHE 220 Cb -0.19 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.53 1ii2 s PHE 220 CO -0.07 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.57 1ii2 n GLY 221 N 0.84 1.98 3.92 4.36 0.00 -1.04 -0.96 105.19 114.29 1ii2 n GLY 221 Ca -0.01 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1ii2 n GLY 221 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 222 N 0.00 2.74 0.62 0.99 1.43 -1.24 -4.75 118.68 118.47 1ii2 s LEU 222 Ca 0.00 0.60 -0.19 0.00 -1.03 0.00 0.00 54.13 53.51 1ii2 s LEU 222 Cb 0.00 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1ii2 s LEU 222 CO 0.00 -1.65 1.28 -0.55 0.23 0.00 0.00 176.35 175.66 1ii2 s SER 223 N -4.52 4.84 -1.00 2.29 0.15 -1.26 -3.06 113.70 111.14 1ii2 s SER 223 Ca 0.60 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.84 1ii2 s SER 223 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1ii2 s SER 223 CO 0.46 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.67 1ii2 n GLY 224 N 0.78 0.78 0.00 9.45 0.00 -1.26 -4.64 105.19 110.31 1ii2 n GLY 224 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1ii2 n GLY 224 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ii2 n THR 225 N -3.11 0.99 0.00 2.61 -2.24 -1.17 -4.94 114.28 106.41 1ii2 n THR 225 Ca -0.11 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1ii2 n THR 225 Cb 0.41 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1ii2 n THR 225 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 226 N -0.51 0.94 0.22 3.38 0.00 -1.26 -4.77 105.19 103.19 1ii2 n GLY 226 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1ii2 n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii2 h LYS 227 N 1.39 0.53 -0.00 1.61 1.57 -1.88 0.39 116.57 120.18 1ii2 h LYS 227 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ii2 h LYS 227 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1ii2 h LYS 227 CO 0.00 0.35 -0.01 1.15 -0.57 0.00 0.00 179.45 180.37 1ii2 h THR 228 N 0.55 1.55 0.06 -0.16 2.02 -1.96 -2.87 112.91 112.09 1ii2 h THR 228 Ca 0.25 -1.63 0.02 0.00 0.77 0.00 0.00 66.41 65.81 1ii2 h THR 228 Cb 0.16 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1ii2 h THR 228 CO -0.17 0.42 -0.14 0.74 0.37 0.00 0.00 175.52 176.74 1ii2 h THR 229 N -0.68 0.66 0.00 3.16 2.02 -1.92 -2.64 112.91 113.51 1ii2 h THR 229 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1ii2 h THR 229 Cb 0.70 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1ii2 h THR 229 CO 0.00 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 175.50 1ii2 h LEU 230 N -0.27 0.00 0.00 2.58 3.38 -1.05 -2.93 115.31 117.02 1ii2 h LEU 230 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ii2 h LEU 230 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ii2 h LEU 230 CO -0.10 0.32 -0.14 0.77 0.09 0.00 0.00 178.44 179.38 1ii2 h SER 231 N 0.00 0.00 -1.54 -0.43 4.64 -1.41 -3.39 113.55 111.42 1ii2 h SER 231 Ca -0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 1ii2 h SER 231 Cb 0.82 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.79 1ii2 h SER 231 CO 0.04 0.03 1.34 0.00 -0.87 0.00 0.00 176.83 177.37 1ii2 s ALA 232 N -3.21 3.02 -0.15 5.18 0.00 -1.01 -4.67 121.76 120.92 1ii2 s ALA 232 Ca 0.06 -2.52 -0.02 0.00 0.00 0.00 0.00 51.96 49.48 1ii2 s ALA 232 Cb 0.06 -4.37 -0.02 0.00 0.00 0.00 0.00 23.12 18.79 1ii2 s ALA 232 CO 0.69 -3.36 -0.09 0.34 0.00 0.00 0.00 175.76 173.34 1ii2 s ASP 233 N 4.41 4.28 0.57 0.00 -1.08 -1.26 -4.97 116.67 118.62 1ii2 s ASP 233 Ca 0.42 -0.29 0.26 0.00 -0.52 0.00 0.00 52.55 52.43 1ii2 s ASP 233 Cb -0.01 -1.68 1.60 0.00 -1.46 0.00 0.00 42.92 41.36 1ii2 s ASP 233 CO -0.08 0.13 2.14 -0.65 0.52 0.00 0.00 175.17 177.23 1ii2 h PRO 234 N 6.98 0.00 -0.03 4.34 0.11 -1.97 -2.16 132.00 139.27 1ii2 h PRO 234 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ii2 h PRO 234 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ii2 h PRO 234 CO 0.59 0.00 -0.09 0.72 -0.21 0.00 0.00 178.00 179.01 1ii2 n HIS 235 N -4.02 0.00 -4.13 0.65 8.25 -1.26 -4.97 115.22 109.75 1ii2 n HIS 235 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 1ii2 n HIS 235 Cb 0.25 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 1ii2 n HIS 235 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ii2 s ARG 236 N -2.09 0.70 -0.06 -0.41 0.52 -0.81 -4.41 118.95 112.38 1ii2 s ARG 236 Ca 0.26 -0.91 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 1ii2 s ARG 236 Cb 0.20 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 35.10 1ii2 s ARG 236 CO 0.35 0.11 0.84 -0.80 0.02 0.00 0.00 175.30 175.82 1ii2 s ASN 237 N -1.81 7.14 0.25 0.23 0.01 -0.03 -4.42 114.94 116.32 1ii2 s ASN 237 Ca -0.04 1.39 -0.30 0.00 -0.71 0.00 0.00 52.86 53.20 1ii2 s ASN 237 Cb -0.09 -2.49 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 1ii2 s ASN 237 CO 0.01 -0.22 1.19 -0.22 -1.51 0.00 0.00 177.10 176.35 1ii2 s LEU 238 N 1.11 4.48 -0.22 0.60 2.96 -1.25 -0.90 118.68 125.46 1ii2 s LEU 238 Ca 0.44 2.34 -0.11 0.00 -0.22 0.00 0.00 54.13 56.58 1ii2 s LEU 238 Cb -0.19 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 42.79 1ii2 s LEU 238 CO 0.21 -0.33 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.26 1ii2 n ILE 239 N 1.72 1.19 -3.53 6.68 5.41 -0.35 -1.37 119.36 129.12 1ii2 n ILE 239 Ca 0.02 -0.31 -0.07 0.00 1.00 0.00 0.00 62.75 63.39 1ii2 n ILE 239 Cb 0.44 -1.79 -0.02 0.00 -0.71 0.00 0.00 39.64 37.56 1ii2 n ILE 239 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ii2 s GLY 240 N -5.40 -0.42 0.00 7.39 0.00 -0.88 -4.81 107.32 103.20 1ii2 s GLY 240 Ca -0.30 1.09 0.11 0.00 0.00 0.00 0.00 44.72 45.62 1ii2 s GLY 240 CO 0.38 0.36 1.13 2.09 0.00 0.00 0.00 173.10 177.06 1ii2 n ASP 241 N -0.23 2.63 0.00 1.64 5.75 -1.26 -0.63 116.55 124.45 1ii2 n ASP 241 Ca -0.07 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1ii2 n ASP 241 Cb 0.61 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1ii2 n ASP 241 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ii2 n ASP 242 N 0.58 0.00 -3.72 -1.12 2.03 -1.26 -4.07 116.55 109.00 1ii2 n ASP 242 Ca 0.10 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.21 1ii2 n ASP 242 Cb 0.38 0.00 -0.18 0.00 -0.72 0.00 0.00 41.12 40.61 1ii2 n ASP 242 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ii2 s GLU 243 N -1.00 0.18 0.11 -0.67 2.02 -1.16 -2.22 118.70 115.96 1ii2 s GLU 243 Ca 0.00 0.26 -0.00 0.00 0.02 0.00 0.00 54.97 55.25 1ii2 s GLU 243 Cb 0.00 -0.66 -0.04 0.00 0.10 0.00 0.00 34.13 33.53 1ii2 s GLU 243 CO 0.00 -0.30 0.00 -1.01 0.02 0.00 0.00 175.26 173.97 1ii2 s HIS 244 N 2.00 0.83 -0.04 1.61 3.76 -0.76 -1.44 115.29 121.26 1ii2 s HIS 244 Ca 0.04 -1.10 0.04 0.00 -0.15 0.00 0.00 55.06 53.89 1ii2 s HIS 244 Cb -0.12 -0.50 -0.00 0.00 1.11 0.00 0.00 32.58 33.06 1ii2 s HIS 244 CO -0.04 -0.36 -0.17 0.08 -0.85 0.00 0.00 174.74 173.40 1ii2 s VAL 245 N -3.87 1.45 -0.41 -0.90 1.01 -0.46 0.69 120.40 117.90 1ii2 s VAL 245 Ca 0.17 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 1ii2 s VAL 245 Cb 0.07 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1ii2 s VAL 245 CO -0.02 0.42 0.29 0.86 0.00 0.00 0.00 175.10 176.64 1ii2 s TRP 246 N -0.02 3.24 0.00 5.22 -0.11 0.59 -1.57 118.94 126.30 1ii2 s TRP 246 Ca -0.03 -0.73 0.00 0.00 1.22 0.00 0.00 56.10 56.56 1ii2 s TRP 246 Cb -0.11 -2.62 0.00 0.00 -1.50 0.00 0.00 33.47 29.23 1ii2 s TRP 246 CO 0.02 -0.63 0.00 0.25 -4.62 0.00 0.00 176.95 171.97 1ii2 n THR 247 N 5.12 0.00 0.38 5.86 -2.24 0.27 -1.89 114.28 121.78 1ii2 n THR 247 Ca -0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1ii2 n THR 247 Cb 0.46 -0.82 0.47 0.00 -2.10 0.00 0.00 70.33 68.34 1ii2 n THR 247 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ii2 h ASP 248 N 0.00 0.00 0.00 3.42 2.03 -1.97 -3.15 116.42 116.75 1ii2 h ASP 248 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ii2 h ASP 248 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ii2 h ASP 248 CO 0.00 0.00 -1.57 0.54 -1.03 0.00 0.00 179.24 177.18 1ii2 n ARG 249 N -2.66 0.48 0.00 4.15 1.74 -1.26 -5.06 116.66 114.05 1ii2 n ARG 249 Ca 0.03 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 1ii2 n ARG 249 Cb 0.35 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1ii2 n ARG 249 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ii2 n GLY 250 N 1.37 0.31 3.38 -0.13 0.00 -1.19 -4.39 105.19 104.55 1ii2 n GLY 250 Ca -0.01 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1ii2 n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ii2 s VAL 251 N -2.27 2.06 -0.03 1.61 -7.23 -0.72 0.95 120.40 114.77 1ii2 s VAL 251 Ca 0.00 -2.09 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 1ii2 s VAL 251 Cb 0.00 -2.03 0.01 0.00 0.56 0.00 0.00 36.38 34.92 1ii2 s VAL 251 CO 0.00 -0.33 0.14 0.72 -0.31 0.00 0.00 175.10 175.32 1ii2 s PHE 252 N -2.20 -0.07 0.25 2.82 -0.12 -0.61 -1.24 117.98 116.82 1ii2 s PHE 252 Ca 0.21 0.17 -0.30 0.00 -0.05 0.00 0.00 56.93 56.96 1ii2 s PHE 252 Cb -0.05 0.01 -0.09 0.00 -0.63 0.00 0.00 43.02 42.25 1ii2 s PHE 252 CO 0.09 -0.16 0.97 1.21 -0.05 0.00 0.00 175.22 177.28 1ii2 s ASN 253 N -0.54 7.55 0.11 1.98 3.84 -0.02 -1.36 114.94 126.49 1ii2 s ASN 253 Ca -0.06 2.01 0.10 0.00 0.21 0.00 0.00 52.86 55.11 1ii2 s ASN 253 Cb -0.04 -2.61 -0.17 0.00 -0.55 0.00 0.00 41.25 37.88 1ii2 s ASN 253 CO 0.01 0.08 1.17 0.40 -2.79 0.00 0.00 177.10 175.96 1ii2 h ILE 254 N 3.10 1.38 -1.21 -5.21 2.04 -1.59 -1.94 117.51 114.09 1ii2 h ILE 254 Ca -0.45 -3.06 -0.45 0.00 1.00 0.00 0.00 64.86 61.89 1ii2 h ILE 254 Cb 1.20 2.67 0.02 0.00 -0.74 0.00 0.00 36.82 39.97 1ii2 h ILE 254 CO 0.68 0.79 -0.21 -1.61 0.00 0.00 0.00 178.15 177.79 1ii2 s GLU 255 N -2.73 2.63 -0.03 2.37 2.02 -1.26 -0.72 118.70 120.97 1ii2 s GLU 255 Ca 0.00 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.63 1ii2 s GLU 255 Cb 0.09 -2.70 0.06 0.00 0.10 0.00 0.00 34.13 31.69 1ii2 s GLU 255 CO 0.81 -0.47 0.98 0.41 0.02 0.00 0.00 175.26 177.01 1ii2 n GLY 256 N -1.97 2.70 1.42 -1.39 0.00 0.45 -4.78 105.19 101.62 1ii2 n GLY 256 Ca 0.10 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 1ii2 n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ii2 n GLY 257 N -0.63 1.50 2.96 -0.02 0.00 -1.03 -1.95 105.19 106.01 1ii2 n GLY 257 Ca 0.03 -1.08 -0.22 0.00 0.00 0.00 0.00 46.02 44.75 1ii2 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 n TYR 259 N 3.93 4.37 -3.09 0.00 9.36 -1.26 -1.64 117.16 128.83 1ii2 n TYR 259 Ca -0.24 -4.00 -0.37 0.00 3.32 0.00 0.00 57.90 56.61 1ii2 n TYR 259 Cb 0.51 -1.26 -0.06 0.00 -0.63 0.00 0.00 39.34 37.90 1ii2 n TYR 259 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ii2 s ALA 260 N -1.48 3.43 0.17 2.98 0.00 -0.01 -4.86 121.76 121.99 1ii2 s ALA 260 Ca 0.29 0.18 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 1ii2 s ALA 260 Cb -0.06 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 1ii2 s ALA 260 CO -0.10 0.33 1.54 0.15 0.00 0.00 0.00 175.76 177.68 1ii2 s LYS 261 N -1.81 4.23 0.04 0.00 -0.14 -1.26 -1.36 119.74 119.44 1ii2 s LYS 261 Ca 0.41 2.33 0.23 0.00 -1.36 0.00 0.00 55.97 57.59 1ii2 s LYS 261 Cb -0.18 -3.16 0.19 0.00 -1.68 0.00 0.00 37.83 33.01 1ii2 s LYS 261 CO 0.22 -0.57 1.16 0.00 -0.76 0.00 0.00 175.35 175.40 1ii2 n ALA 262 N 3.78 3.51 -1.69 5.17 0.00 0.25 -4.85 120.51 126.67 1ii2 n ALA 262 Ca 0.13 -0.39 -0.51 0.00 0.00 0.00 0.00 53.44 52.67 1ii2 n ALA 262 Cb 0.39 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 1ii2 n ALA 262 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1ii2 n ILE 263 N -1.81 0.50 -0.96 0.00 0.13 -1.26 -1.92 119.36 114.04 1ii2 n ILE 263 Ca 0.03 -0.09 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 1ii2 n ILE 263 Cb 0.40 -1.69 0.00 0.00 -0.84 0.00 0.00 39.64 37.51 1ii2 n ILE 263 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1ii2 n GLY 264 N 4.40 0.81 3.76 4.50 0.00 -0.14 -5.01 105.19 113.51 1ii2 n GLY 264 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1ii2 n GLY 264 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 265 N 0.00 4.34 -0.03 0.99 1.43 -0.81 -4.99 118.68 119.61 1ii2 s LEU 265 Ca 0.00 2.97 -0.27 0.00 -1.03 0.00 0.00 54.13 55.80 1ii2 s LEU 265 Cb 0.00 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.64 1ii2 s LEU 265 CO 0.00 -0.91 0.60 0.54 0.23 0.00 0.00 176.35 176.81 1ii2 s ASN 266 N 0.38 -0.56 0.32 2.29 2.20 -1.26 -4.76 114.94 113.56 1ii2 s ASN 266 Ca 0.61 0.55 0.25 0.00 -0.94 0.00 0.00 52.86 53.33 1ii2 s ASN 266 Cb -0.48 0.50 1.14 0.00 -2.00 0.00 0.00 41.25 40.41 1ii2 s ASN 266 CO 0.51 -0.60 1.75 1.55 -2.94 0.00 0.00 177.10 177.37 1ii2 h PRO 267 N 3.12 0.00 0.39 3.55 0.13 -1.90 -2.13 132.00 135.17 1ii2 h PRO 267 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ii2 h PRO 267 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ii2 h PRO 267 CO 0.39 0.00 -0.19 0.87 -0.23 0.00 0.00 178.00 178.84 1ii2 h LYS 268 N 0.00 -0.51 0.00 0.86 6.56 -1.96 -3.28 116.57 118.24 1ii2 h LYS 268 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1ii2 h LYS 268 Cb 0.24 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 1ii2 h LYS 268 CO 0.00 -0.34 -1.52 0.25 -2.06 0.00 0.00 179.45 175.78 1ii2 n THR 269 N -4.89 0.30 -3.17 -0.16 -2.24 -1.24 -4.59 114.28 98.28 1ii2 n THR 269 Ca -0.07 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.00 1ii2 n THR 269 Cb 0.21 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1ii2 n THR 269 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ii2 n GLU 270 N -2.45 1.11 -0.12 -0.78 1.02 -0.80 -4.97 120.64 113.65 1ii2 n GLU 270 Ca -0.02 -3.48 -0.06 0.00 -0.02 0.00 0.00 57.16 53.58 1ii2 n GLU 270 Cb 0.56 -1.71 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 1ii2 n GLU 270 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1ii2 h LYS 271 N 3.08 0.35 -0.19 3.49 3.64 -1.61 -1.22 116.57 124.11 1ii2 h LYS 271 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1ii2 h LYS 271 Cb 0.93 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1ii2 h LYS 271 CO 0.52 0.23 0.04 -0.44 -2.27 0.00 0.00 179.45 177.53 1ii2 h ASP 272 N 0.36 0.01 -0.13 4.20 3.32 -1.91 0.16 116.42 122.42 1ii2 h ASP 272 Ca 0.17 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1ii2 h ASP 272 Cb 0.10 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ii2 h ASP 272 CO -0.14 0.03 -0.04 0.40 -1.72 0.00 0.00 179.24 177.78 1ii2 h ILE 273 N 0.12 1.29 -0.67 0.35 2.04 -1.94 -2.95 117.51 115.75 1ii2 h ILE 273 Ca 0.09 -0.99 0.08 0.00 1.00 0.00 0.00 64.86 65.03 1ii2 h ILE 273 Cb 0.08 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1ii2 h ILE 273 CO -0.12 0.29 0.34 0.22 0.00 0.00 0.00 178.15 178.89 1ii2 h TYR 274 N -0.06 0.62 0.00 1.37 5.03 -1.06 -1.53 116.97 121.35 1ii2 h TYR 274 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1ii2 h TYR 274 Cb 0.46 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1ii2 h TYR 274 CO 0.05 0.26 0.00 -0.44 -1.32 0.00 0.00 178.16 176.71 1ii2 h ASP 275 N 0.61 0.00 1.30 -2.11 3.32 -0.64 -2.56 116.42 116.34 1ii2 h ASP 275 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1ii2 h ASP 275 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ii2 h ASP 275 CO -0.23 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.29 1ii2 n ALA 276 N -2.03 2.14 -2.64 3.45 0.00 -0.58 -4.39 120.51 116.47 1ii2 n ALA 276 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1ii2 n ALA 276 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1ii2 n ALA 276 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ii2 n VAL 277 N -2.25 4.03 -3.47 0.00 0.31 -0.96 -4.75 118.33 111.24 1ii2 n VAL 277 Ca 0.05 -4.25 0.00 0.00 -0.01 0.00 0.00 64.34 60.13 1ii2 n VAL 277 Cb 0.38 -2.40 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 1ii2 n VAL 277 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1ii2 n ARG 278 N 7.24 0.00 -1.61 5.55 1.85 -1.26 -4.68 116.66 123.74 1ii2 n ARG 278 Ca 0.45 0.00 -0.49 0.00 -1.00 0.00 0.00 57.85 56.81 1ii2 n ARG 278 Cb 0.44 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.81 1ii2 n ARG 278 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1ii2 n PHE 279 N 0.00 1.68 0.00 2.89 7.35 -0.84 -0.72 117.46 127.81 1ii2 n PHE 279 Ca 0.00 0.56 0.00 0.00 -0.76 0.00 0.00 57.45 57.25 1ii2 n PHE 279 Cb 0.00 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.46 1ii2 n PHE 279 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ii2 n GLY 280 N 2.51 2.98 3.98 7.13 0.00 -1.26 -4.93 105.19 115.60 1ii2 n GLY 280 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1ii2 n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 281 N -2.68 4.11 0.05 4.61 0.00 0.10 -4.76 121.76 123.19 1ii2 s ALA 281 Ca 0.00 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.68 1ii2 s ALA 281 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1ii2 s ALA 281 CO 0.00 -0.25 -0.25 0.08 0.00 0.00 0.00 175.76 175.34 1ii2 s VAL 282 N -2.38 2.02 -0.14 0.00 1.01 0.32 -1.01 120.40 120.23 1ii2 s VAL 282 Ca 0.49 -1.36 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1ii2 s VAL 282 Cb -0.10 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1ii2 s VAL 282 CO 0.34 0.31 -0.20 0.00 0.00 0.00 0.00 175.10 175.56 1ii2 s ALA 283 N -0.81 2.11 -0.20 5.51 0.00 0.60 0.08 121.76 129.04 1ii2 s ALA 283 Ca 0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1ii2 s ALA 283 Cb -0.10 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 1ii2 s ALA 283 CO 0.02 -0.11 -0.08 -2.00 0.00 0.00 0.00 175.76 173.59 1ii2 s GLU 284 N 0.97 3.32 -1.62 0.00 2.12 0.15 -0.83 118.70 122.81 1ii2 s GLU 284 Ca -0.04 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1ii2 s GLU 284 Cb -0.15 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.35 1ii2 s GLU 284 CO -0.04 -0.14 0.00 0.09 -0.54 0.00 0.00 175.26 174.63 1ii2 n ASN 285 N 4.59 -4.96 -4.89 -1.70 3.02 0.64 -1.78 115.26 110.17 1ii2 n ASN 285 Ca -0.19 0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 54.28 1ii2 n ASN 285 Cb 0.51 -3.99 -0.04 0.00 -0.61 0.00 0.00 39.78 35.65 1ii2 n ASN 285 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ii2 s VAL 287 N -1.86 4.12 0.17 0.00 1.01 -1.26 -4.88 120.40 117.70 1ii2 s VAL 287 Ca 0.44 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1ii2 s VAL 287 Cb -0.11 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 1ii2 s VAL 287 CO 0.25 0.53 0.51 -0.76 0.00 0.00 0.00 175.10 175.63 1ii2 s LEU 288 N -0.12 4.26 -0.19 3.92 1.43 -1.26 -0.66 118.68 126.06 1ii2 s LEU 288 Ca 0.04 0.92 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 1ii2 s LEU 288 Cb -0.13 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1ii2 s LEU 288 CO 0.02 0.04 1.34 -0.62 0.23 0.00 0.00 176.35 177.36 1ii2 s ASP 289 N -2.05 6.79 0.27 2.29 -1.08 0.56 -4.78 116.67 118.67 1ii2 s ASP 289 Ca 0.41 1.61 -0.03 0.00 -0.52 0.00 0.00 52.55 54.02 1ii2 s ASP 289 Cb -0.13 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.35 1ii2 s ASP 289 CO 0.20 -0.91 1.62 0.11 0.52 0.00 0.00 175.17 176.71 1ii2 h LYS 290 N 8.86 0.10 0.00 4.34 1.79 -1.96 0.54 116.57 130.24 1ii2 h LYS 290 Ca -0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1ii2 h LYS 290 Cb 1.11 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1ii2 h LYS 290 CO 0.99 0.06 -0.88 0.07 -1.08 0.00 0.00 179.45 178.61 1ii2 h ARG 291 N 0.10 0.00 0.00 3.15 0.11 -1.97 -3.38 114.38 112.39 1ii2 h ARG 291 Ca 0.48 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.19 1ii2 h ARG 291 Cb 0.91 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.92 1ii2 h ARG 291 CO -0.74 0.00 -2.41 0.25 0.10 0.00 0.00 179.97 177.18 1ii2 n THR 292 N -2.50 1.41 -0.16 0.08 -2.24 -0.82 -4.98 114.28 105.07 1ii2 n THR 292 Ca 0.01 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1ii2 n THR 292 Cb 0.51 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1ii2 n THR 292 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 293 N 1.90 2.11 3.87 3.38 0.00 0.18 -4.72 105.19 111.92 1ii2 n GLY 293 Ca -0.37 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1ii2 n GLY 293 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ii2 s GLU 294 N -0.20 3.86 0.36 1.61 2.56 -1.26 -0.88 118.70 124.75 1ii2 s GLU 294 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 54.97 55.17 1ii2 s GLU 294 Cb 0.00 -2.46 -0.11 0.00 2.00 0.00 0.00 34.13 33.56 1ii2 s GLU 294 CO 0.00 0.11 1.45 0.42 -0.56 0.00 0.00 175.26 176.68 1ii2 s ILE 295 N -2.12 2.23 -0.89 -3.70 1.01 -1.26 -0.33 121.20 116.14 1ii2 s ILE 295 Ca 0.51 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 61.24 1ii2 s ILE 295 Cb -0.10 -3.14 0.19 0.00 0.01 0.00 0.00 42.46 39.41 1ii2 s ILE 295 CO 0.24 0.05 0.93 -0.62 0.00 0.00 0.00 174.94 175.54 1ii2 s ASP 296 N -0.18 6.76 0.00 3.58 -1.08 0.17 -4.74 116.67 121.18 1ii2 s ASP 296 Ca 0.53 -2.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.03 1ii2 s ASP 296 Cb -0.45 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1ii2 s ASP 296 CO 0.59 -0.73 0.83 0.49 0.52 0.00 0.00 175.17 176.87 1ii2 n PHE 297 N 4.85 0.00 0.89 -5.34 3.72 -1.26 -0.93 117.46 119.40 1ii2 n PHE 297 Ca 0.19 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.68 1ii2 n PHE 297 Cb 0.47 -0.35 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 1ii2 n PHE 297 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ii2 n TYR 298 N -1.33 0.00 -2.75 1.38 4.01 -1.26 -0.96 117.16 116.24 1ii2 n TYR 298 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1ii2 n TYR 298 Cb 0.04 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 1ii2 n TYR 298 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ii2 s ASP 299 N -2.54 6.68 -0.25 7.72 -1.08 -0.10 -4.88 116.67 122.21 1ii2 s ASP 299 Ca 0.12 0.56 0.10 0.00 -0.52 0.00 0.00 52.55 52.80 1ii2 s ASP 299 Cb 0.15 -2.49 0.47 0.00 -1.46 0.00 0.00 42.92 39.59 1ii2 s ASP 299 CO 0.65 -0.95 1.35 -0.62 0.52 0.00 0.00 175.17 176.12 1ii2 n GLU 300 N 7.01 1.73 0.22 4.34 1.02 -1.26 -4.52 120.64 129.18 1ii2 n GLU 300 Ca 0.08 -3.26 0.06 0.00 -0.02 0.00 0.00 57.16 54.02 1ii2 n GLU 300 Cb 0.48 -1.73 0.55 0.00 -0.02 0.00 0.00 31.44 30.72 1ii2 n GLU 300 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ii2 h SER 301 N 1.01 0.03 0.06 1.62 4.64 -1.93 -2.61 113.55 116.38 1ii2 h SER 301 Ca 0.12 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1ii2 h SER 301 Cb 1.34 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1ii2 h SER 301 CO 0.21 0.12 -0.37 0.40 -0.87 0.00 0.00 176.83 176.33 1ii2 h ILE 302 N 0.04 1.66 -1.98 0.95 2.04 -1.84 -3.49 117.51 114.89 1ii2 h ILE 302 Ca 0.01 -2.41 0.21 0.00 1.00 0.00 0.00 64.86 63.66 1ii2 h ILE 302 Cb 0.17 3.29 -0.12 0.00 -0.74 0.00 0.00 36.82 39.41 1ii2 h ILE 302 CO 0.01 0.65 0.62 0.00 0.00 0.00 0.00 178.15 179.44 1ii2 n LYS 304 N -0.36 3.80 -2.52 0.00 5.02 -1.26 -4.16 118.16 118.67 1ii2 n LYS 304 Ca -0.06 -2.49 -0.15 0.00 -2.02 0.00 0.00 58.31 53.58 1ii2 n LYS 304 Cb 0.61 -2.09 0.02 0.00 -0.02 0.00 0.00 35.03 33.56 1ii2 n LYS 304 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ii2 n ASN 305 N 0.30 3.12 -4.77 4.39 5.15 -1.26 -4.47 115.26 117.72 1ii2 n ASN 305 Ca 0.26 -3.07 -0.40 0.00 -0.60 0.00 0.00 54.58 50.77 1ii2 n ASN 305 Cb 1.07 -0.46 -0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ii2 n ASN 305 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ii2 s THR 306 N -4.27 2.55 0.14 -0.44 -4.23 -1.26 -4.92 115.64 103.22 1ii2 s THR 306 Ca 0.38 0.50 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1ii2 s THR 306 Cb 0.40 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1ii2 s THR 306 CO -0.04 0.08 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.95 1ii2 s ARG 307 N -2.24 0.98 0.00 3.99 1.81 -0.73 -0.58 118.95 122.18 1ii2 s ARG 307 Ca 0.57 -1.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1ii2 s ARG 307 Cb -0.39 -0.25 -0.01 0.00 -0.45 0.00 0.00 34.95 33.86 1ii2 s ARG 307 CO 0.50 -0.07 -0.03 0.14 -0.68 0.00 0.00 175.30 175.16 1ii2 s VAL 308 N -3.63 0.19 -0.08 3.52 -7.23 -0.46 0.31 120.40 113.01 1ii2 s VAL 308 Ca 0.18 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 1ii2 s VAL 308 Cb 0.06 -0.19 0.02 0.00 0.56 0.00 0.00 36.38 36.82 1ii2 s VAL 308 CO -0.00 -0.04 -0.09 0.00 -0.31 0.00 0.00 175.10 174.66 1ii2 s ALA 309 N -0.29 1.16 0.02 1.32 0.00 0.11 -0.83 121.76 123.25 1ii2 s ALA 309 Ca -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1ii2 s ALA 309 Cb -0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1ii2 s ALA 309 CO -0.00 -0.08 0.04 1.52 0.00 0.00 0.00 175.76 177.25 1ii2 s TYR 310 N 1.04 0.22 0.63 0.00 -0.85 -0.65 -0.52 117.35 117.22 1ii2 s TYR 310 Ca -0.08 -0.49 -0.17 0.00 -0.52 0.00 0.00 57.07 55.81 1ii2 s TYR 310 Cb -0.15 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.01 1ii2 s TYR 310 CO -0.01 -0.28 1.17 -2.14 -1.52 0.00 0.00 175.55 172.77 1ii2 s PRO 311 N -2.03 2.81 0.58 -3.49 0.02 -1.26 -0.53 135.00 131.09 1ii2 s PRO 311 Ca -0.10 1.67 0.27 0.00 0.02 0.00 0.00 61.00 62.86 1ii2 s PRO 311 Cb -0.05 -1.93 1.71 0.00 0.02 0.00 0.00 34.50 34.26 1ii2 s PRO 311 CO -0.02 -1.30 2.22 -0.07 -0.33 0.00 0.00 177.00 177.50 1ii2 h LEU 312 N 0.47 0.00 -2.09 -5.54 3.38 -1.64 -0.67 115.31 109.23 1ii2 h LEU 312 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1ii2 h LEU 312 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1ii2 h LEU 312 CO 0.54 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.84 1ii2 h SER 313 N 0.00 0.00 0.98 -0.43 4.64 -1.90 -1.06 113.55 115.78 1ii2 h SER 313 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ii2 h SER 313 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ii2 h SER 313 CO -0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1ii2 n HIS 314 N -2.65 0.03 -3.63 4.77 8.25 -0.26 -4.68 115.22 117.05 1ii2 n HIS 314 Ca -0.02 0.01 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1ii2 n HIS 314 Cb 0.07 -0.52 -0.11 0.00 1.12 0.00 0.00 29.99 30.55 1ii2 n HIS 314 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ii2 s ILE 315 N -3.00 4.99 0.21 1.59 -1.09 -0.40 -4.54 121.20 118.95 1ii2 s ILE 315 Ca 0.13 0.00 -0.32 0.00 -2.23 0.00 0.00 60.65 58.24 1ii2 s ILE 315 Cb 0.18 -3.40 -0.12 0.00 -1.58 0.00 0.00 42.46 37.55 1ii2 s ILE 315 CO 0.51 0.24 1.69 -0.70 -1.23 0.00 0.00 174.94 175.45 1ii2 s GLU 316 N 1.71 4.14 0.00 2.79 2.12 -1.26 -2.11 118.70 126.08 1ii2 s GLU 316 Ca 0.07 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.97 1ii2 s GLU 316 Cb -0.16 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.15 1ii2 s GLU 316 CO 0.09 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1ii2 n GLY 317 N 3.80 1.60 3.77 -1.50 0.00 -1.26 -4.82 105.19 106.77 1ii2 n GLY 317 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1ii2 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 318 N -3.06 3.51 0.29 4.61 0.00 -0.90 -3.91 121.76 122.30 1ii2 s ALA 318 Ca 0.00 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1ii2 s ALA 318 Cb 0.00 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 1ii2 s ALA 318 CO 0.00 -0.67 1.44 -0.51 0.00 0.00 0.00 175.76 176.02 1ii2 s LEU 319 N -1.73 4.38 0.01 0.00 1.43 -0.47 -4.92 118.68 117.38 1ii2 s LEU 319 Ca 0.50 2.76 -0.25 0.00 -1.03 0.00 0.00 54.13 56.11 1ii2 s LEU 319 Cb -0.40 -3.64 -0.17 0.00 0.03 0.00 0.00 46.19 42.01 1ii2 s LEU 319 CO 0.53 -0.72 1.27 -1.28 0.23 0.00 0.00 176.35 176.38 1ii2 h SER 320 N 4.38 -0.30 -3.20 2.29 0.87 -1.92 -3.34 113.55 112.33 1ii2 h SER 320 Ca -0.47 -0.19 -0.72 0.00 -1.23 0.00 0.00 61.79 59.18 1ii2 h SER 320 Cb 1.22 0.08 -0.21 0.00 -0.44 0.00 0.00 62.40 63.06 1ii2 h SER 320 CO 0.73 0.05 -0.11 -0.75 -0.53 0.00 0.00 176.83 176.23 1ii2 s LYS 321 N -4.71 3.04 -1.11 2.24 2.20 -1.26 -4.98 119.74 115.17 1ii2 s LYS 321 Ca -0.14 -1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 54.07 1ii2 s LYS 321 Cb 0.02 -4.16 -0.06 0.00 -1.51 0.00 0.00 37.83 32.13 1ii2 s LYS 321 CO 0.56 -1.21 2.02 0.00 -0.36 0.00 0.00 175.35 176.37 1ii2 n ALA 322 N 5.74 4.04 -2.97 3.13 0.00 -1.26 -4.85 120.51 124.35 1ii2 n ALA 322 Ca -0.10 -3.55 -0.10 0.00 0.00 0.00 0.00 53.44 49.69 1ii2 n ALA 322 Cb 0.44 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.19 1ii2 n ALA 322 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ii2 s ILE 323 N 4.80 0.09 0.07 0.00 -4.36 -1.26 -0.84 121.20 119.68 1ii2 s ILE 323 Ca 0.54 -0.71 -0.01 0.00 -0.26 0.00 0.00 60.65 60.21 1ii2 s ILE 323 Cb 0.12 -0.23 0.00 0.00 1.25 0.00 0.00 42.46 43.61 1ii2 s ILE 323 CO 0.04 -0.39 0.11 0.00 0.24 0.00 0.00 174.94 174.94 1ii2 n ALA 324 N 1.89 -0.14 -1.00 2.27 0.00 -0.37 -5.00 120.51 118.15 1ii2 n ALA 324 Ca -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1ii2 n ALA 324 Cb 0.56 0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1ii2 n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ii2 n GLY 325 N -0.10 -1.06 3.70 0.00 0.00 -1.26 -1.75 105.19 104.71 1ii2 n GLY 325 Ca -0.00 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1ii2 n GLY 325 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ii2 s HIS 326 N -0.68 3.39 -0.31 1.61 3.76 -1.26 -3.12 115.29 118.69 1ii2 s HIS 326 Ca 0.00 1.37 -0.42 0.00 -0.15 0.00 0.00 55.06 55.87 1ii2 s HIS 326 Cb 0.00 -3.34 -0.17 0.00 1.11 0.00 0.00 32.58 30.18 1ii2 s HIS 326 CO 0.00 -0.94 1.67 -2.30 -0.85 0.00 0.00 174.74 172.32 1ii2 n PRO 327 N 4.52 0.84 0.03 8.40 -0.02 -1.26 -4.47 135.00 143.04 1ii2 n PRO 327 Ca 0.09 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.75 1ii2 n PRO 327 Cb 0.47 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.88 1ii2 n PRO 327 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ii2 h LYS 328 N 6.41 0.12 -4.82 -0.52 3.64 -0.87 -3.41 116.57 117.12 1ii2 h LYS 328 Ca -0.46 -0.20 -0.52 0.00 -1.27 0.00 0.00 60.65 58.19 1ii2 h LYS 328 Cb 1.34 0.08 -0.32 0.00 -0.41 0.00 0.00 32.23 32.91 1ii2 h LYS 328 CO 0.95 0.91 -0.82 -0.80 -2.27 0.00 0.00 179.45 177.41 1ii2 s ASN 329 N -6.65 1.87 -0.17 4.20 0.01 -1.08 -1.32 114.94 111.80 1ii2 s ASN 329 Ca -0.06 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1ii2 s ASN 329 Cb 0.08 -0.71 0.01 0.00 0.41 0.00 0.00 41.25 41.04 1ii2 s ASN 329 CO 0.83 0.08 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.63 1ii2 s VAL 330 N 0.39 2.23 -0.10 1.60 1.01 0.82 -2.22 120.40 124.13 1ii2 s VAL 330 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1ii2 s VAL 330 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1ii2 s VAL 330 CO 0.03 0.53 -0.18 -0.63 0.00 0.00 0.00 175.10 174.85 1ii2 s ILE 331 N 1.15 2.62 -0.25 2.22 1.01 -0.09 -0.56 121.20 127.31 1ii2 s ILE 331 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.76 1ii2 s ILE 331 Cb -0.14 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1ii2 s ILE 331 CO -0.08 0.55 0.08 -0.36 0.00 0.00 0.00 174.94 175.12 1ii2 s PHE 332 N 0.16 3.09 -0.23 3.97 0.08 0.28 0.20 117.98 125.54 1ii2 s PHE 332 Ca -0.10 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.39 1ii2 s PHE 332 Cb -0.16 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 1ii2 s PHE 332 CO 0.06 -0.34 0.48 -0.51 -0.10 0.00 0.00 175.22 174.80 1ii2 s LEU 333 N 1.61 4.10 -0.29 -0.37 1.43 -0.13 -0.96 118.68 124.06 1ii2 s LEU 333 Ca 0.06 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1ii2 s LEU 333 Cb -0.15 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.51 1ii2 s LEU 333 CO 0.04 -0.20 -0.03 0.28 0.23 0.00 0.00 176.35 176.66 1ii2 s THR 334 N 1.89 2.57 -1.24 5.49 -1.32 0.34 -4.68 115.64 118.69 1ii2 s THR 334 Ca 0.21 -1.62 -0.18 0.00 -1.21 0.00 0.00 61.69 58.89 1ii2 s THR 334 Cb -0.15 -2.55 0.08 0.00 -1.51 0.00 0.00 72.50 68.37 1ii2 s THR 334 CO 0.09 -0.15 1.65 0.21 -2.21 0.00 0.00 174.62 174.22 1ii2 s ASN 335 N 1.18 6.82 -0.57 8.08 3.84 -1.26 -1.44 114.94 131.59 1ii2 s ASN 335 Ca -0.05 -2.38 -0.27 0.00 0.21 0.00 0.00 52.86 50.38 1ii2 s ASN 335 Cb -0.20 -2.55 0.03 0.00 -0.55 0.00 0.00 41.25 37.98 1ii2 s ASN 335 CO -0.04 -1.16 1.10 -0.62 -2.79 0.00 0.00 177.10 173.59 1ii2 s ASP 336 N 4.15 6.41 0.44 -4.21 2.15 -1.26 -3.13 116.67 121.21 1ii2 s ASP 336 Ca 0.51 -0.06 0.29 0.00 0.43 0.00 0.00 52.55 53.72 1ii2 s ASP 336 Cb 0.02 -2.51 1.11 0.00 -0.30 0.00 0.00 42.92 41.25 1ii2 s ASP 336 CO 0.04 -1.38 1.86 0.00 -0.17 0.00 0.00 175.17 175.52 1ii2 h ALA 337 N 9.45 1.00 0.00 3.66 0.00 -1.90 -0.87 119.26 130.60 1ii2 h ALA 337 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ii2 h ALA 337 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ii2 h ALA 337 CO 1.15 0.00 -0.17 0.74 0.00 0.00 0.00 179.25 180.97 1ii2 h PHE 338 N 0.00 0.00 -1.22 0.00 -1.00 -1.90 -0.62 116.94 112.19 1ii2 h PHE 338 Ca 0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1ii2 h PHE 338 Cb 0.54 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 1ii2 h PHE 338 CO 0.00 0.00 -0.25 0.41 -1.61 0.00 0.00 178.31 176.86 1ii2 n GLY 339 N 1.28 0.31 0.00 -1.45 0.00 -1.16 -3.96 105.19 100.22 1ii2 n GLY 339 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1ii2 n GLY 339 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ii2 n VAL 340 N -3.61 0.00 -2.55 1.61 0.24 -1.26 -4.21 118.33 108.55 1ii2 n VAL 340 Ca -0.12 -0.25 -0.38 0.00 -2.04 0.00 0.00 64.34 61.55 1ii2 n VAL 340 Cb 0.52 0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 33.54 1ii2 n VAL 340 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1ii2 s MET 341 N -2.32 4.43 0.63 7.34 -1.94 -1.26 -4.74 119.30 121.45 1ii2 s MET 341 Ca 0.01 1.60 -0.15 0.00 -1.71 0.00 0.00 55.69 55.44 1ii2 s MET 341 Cb 0.08 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 34.04 1ii2 s MET 341 CO 0.45 0.08 1.08 -2.14 -0.01 0.00 0.00 175.02 174.48 1ii2 s PRO 342 N -1.96 3.03 0.35 2.03 0.02 -1.26 -4.79 135.00 132.42 1ii2 s PRO 342 Ca 0.51 1.28 0.06 0.00 0.02 0.00 0.00 61.00 62.87 1ii2 s PRO 342 Cb -0.26 -1.99 0.73 0.00 0.02 0.00 0.00 34.50 33.00 1ii2 s PRO 342 CO 0.33 -1.05 1.94 -1.35 -0.33 0.00 0.00 177.00 176.53 1ii2 h PRO 343 N 0.16 0.75 -2.55 5.54 0.11 -1.78 -3.11 132.00 131.12 1ii2 h PRO 343 Ca -0.47 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1ii2 h PRO 343 Cb 1.23 -0.17 -0.22 0.00 0.11 0.00 0.00 31.00 31.95 1ii2 h PRO 343 CO 0.56 0.50 -0.12 0.54 -0.21 0.00 0.00 178.00 179.26 1ii2 s VAL 344 N -5.70 0.01 -0.02 3.15 0.11 -1.26 -2.48 120.40 114.21 1ii2 s VAL 344 Ca -0.10 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 58.87 1ii2 s VAL 344 Cb 0.20 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1ii2 s VAL 344 CO 0.78 -0.03 0.06 0.00 -3.33 0.00 0.00 175.10 172.57 1ii2 s ALA 345 N -0.06 -0.14 -0.33 1.54 0.00 -0.65 -4.41 121.76 117.71 1ii2 s ALA 345 Ca -0.03 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.89 1ii2 s ALA 345 Cb -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ii2 s ALA 345 CO 0.02 -0.05 0.27 0.50 0.00 0.00 0.00 175.76 176.50 1ii2 s ARG 346 N -0.19 3.57 0.13 0.00 3.52 -0.64 -0.96 118.95 124.37 1ii2 s ARG 346 Ca -0.02 -0.54 -0.23 0.00 -0.13 0.00 0.00 55.73 54.81 1ii2 s ARG 346 Cb -0.02 -3.79 -0.07 0.00 -1.56 0.00 0.00 34.95 29.51 1ii2 s ARG 346 CO 0.00 -0.43 0.69 -0.51 -0.81 0.00 0.00 175.30 174.24 1ii2 s LEU 347 N 1.81 4.57 0.89 -0.88 1.43 0.11 -4.32 118.68 122.28 1ii2 s LEU 347 Ca 0.08 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 1ii2 s LEU 347 Cb -0.17 -3.13 0.12 0.00 0.03 0.00 0.00 46.19 43.04 1ii2 s LEU 347 CO 0.11 0.23 1.14 0.42 0.23 0.00 0.00 176.35 178.49 1ii2 s THR 348 N -1.11 2.04 0.29 5.49 -4.23 -1.26 -4.45 115.64 112.41 1ii2 s THR 348 Ca 0.33 0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1ii2 s THR 348 Cb -0.22 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1ii2 s THR 348 CO 0.23 -0.02 1.96 0.28 -0.54 0.00 0.00 174.62 176.53 1ii2 h SER 349 N -1.40 0.99 -0.03 3.99 0.02 -1.98 0.59 113.55 115.74 1ii2 h SER 349 Ca -0.50 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1ii2 h SER 349 Cb 1.33 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.62 1ii2 h SER 349 CO 0.63 0.72 0.01 0.00 -1.14 0.00 0.00 176.83 177.04 1ii2 h ALA 350 N 1.46 0.04 -0.58 3.77 0.00 -1.94 -2.94 119.26 119.07 1ii2 h ALA 350 Ca 0.32 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ii2 h ALA 350 Cb -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ii2 h ALA 350 CO -0.07 -0.34 0.26 1.96 0.00 0.00 0.00 179.25 181.06 1ii2 h GLN 351 N -0.19 0.82 -0.29 0.00 4.20 -1.83 -2.84 115.11 114.98 1ii2 h GLN 351 Ca 0.01 -0.11 0.05 0.00 0.06 0.00 0.00 58.65 58.65 1ii2 h GLN 351 Cb 0.25 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.83 1ii2 h GLN 351 CO 0.00 0.65 0.01 0.00 -0.67 0.00 0.00 178.83 178.83 1ii2 h ALA 352 N 1.47 0.27 -0.55 3.87 0.00 -0.73 0.34 119.26 123.93 1ii2 h ALA 352 Ca 0.20 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1ii2 h ALA 352 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ii2 h ALA 352 CO -0.02 -0.40 0.23 1.98 0.00 0.00 0.00 179.25 181.04 1ii2 h MET 353 N 0.10 0.81 0.62 0.00 1.85 -1.35 -1.35 114.93 115.61 1ii2 h MET 353 Ca 0.14 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1ii2 h MET 353 Cb 0.18 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.07 1ii2 h MET 353 CO -0.22 0.70 -0.32 0.35 -0.40 0.00 0.00 176.91 177.02 1ii2 h PHE 354 N 0.74 -0.82 -0.14 1.39 3.57 -1.21 -2.45 116.94 118.02 1ii2 h PHE 354 Ca 0.18 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1ii2 h PHE 354 Cb 0.18 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1ii2 h PHE 354 CO 0.01 -0.50 -0.05 -1.49 -2.23 0.00 0.00 178.31 174.04 1ii2 h TRP 355 N -0.86 0.21 0.22 0.41 4.06 -0.92 -0.46 115.95 118.61 1ii2 h TRP 355 Ca -0.08 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 1ii2 h TRP 355 Cb 0.67 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1ii2 h TRP 355 CO -0.05 0.27 -0.11 0.35 -3.56 0.00 0.00 178.44 175.34 1ii2 h PHE 356 N 0.20 -0.28 -0.05 0.49 -0.00 -1.12 -1.04 116.94 115.14 1ii2 h PHE 356 Ca 0.05 -0.01 -0.14 0.00 -0.00 0.00 0.00 57.97 57.86 1ii2 h PHE 356 Cb 0.23 0.09 -0.01 0.00 -0.00 0.00 0.00 35.95 36.26 1ii2 h PHE 356 CO 0.00 0.03 -0.62 -0.39 -0.00 0.00 0.00 178.31 177.33 1ii2 h VAL 357 N -0.59 1.41 -0.43 1.41 -1.51 -1.33 -0.54 116.25 114.66 1ii2 h VAL 357 Ca -0.03 -2.05 -0.07 0.00 -1.23 0.00 0.00 66.70 63.32 1ii2 h VAL 357 Cb 0.43 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 1ii2 h VAL 357 CO 0.05 0.60 0.00 0.24 -1.23 0.00 0.00 177.57 177.23 1ii2 h MET 358 N 0.13 0.76 -5.93 5.19 2.86 -1.09 -3.31 114.93 113.53 1ii2 h MET 358 Ca -0.01 -0.24 -0.39 0.00 -2.06 0.00 0.00 59.70 57.00 1ii2 h MET 358 Cb 1.13 -0.07 0.09 0.00 0.06 0.00 0.00 31.60 32.81 1ii2 h MET 358 CO 0.09 0.83 -0.79 0.41 1.06 0.00 0.00 176.91 178.51 1ii2 n GLY 359 N -0.37 -0.35 3.69 8.32 0.00 -0.40 -3.59 105.19 112.49 1ii2 n GLY 359 Ca -0.00 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ii2 n GLY 359 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ii2 s TYR 360 N -3.50 3.32 0.00 1.61 5.04 -1.26 -0.15 117.35 122.41 1ii2 s TYR 360 Ca 0.11 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1ii2 s TYR 360 Cb -0.05 -3.35 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1ii2 s TYR 360 CO 0.78 -0.98 0.00 -2.37 -1.34 0.00 0.00 175.55 171.64 1ii2 n THR 361 N 4.49 0.00 -3.98 4.34 5.66 -0.14 -4.57 114.28 120.08 1ii2 n THR 361 Ca 0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.99 1ii2 n THR 361 Cb 0.47 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.13 1ii2 n THR 361 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ii2 s ALA 362 N -1.00 0.17 -0.57 1.79 0.00 -1.18 -1.29 121.76 119.67 1ii2 s ALA 362 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1ii2 s ALA 362 Cb 0.00 0.09 0.14 0.00 0.00 0.00 0.00 23.12 23.35 1ii2 s ALA 362 CO 0.00 -0.10 0.52 1.21 0.00 0.00 0.00 175.76 177.39 1ii2 s ASN 363 N -1.11 6.20 0.68 0.00 2.47 0.28 -4.87 114.94 118.60 1ii2 s ASN 363 Ca -0.11 -1.91 -0.15 0.00 0.42 0.00 0.00 52.86 51.11 1ii2 s ASN 363 Cb -0.08 -2.19 0.01 0.00 -1.45 0.00 0.00 41.25 37.55 1ii2 s ASN 363 CO -0.01 -0.81 1.14 0.68 -3.72 0.00 0.00 177.10 174.38 1ii2 s VAL 364 N 1.41 2.97 0.55 -5.21 -7.23 -1.26 -2.57 120.40 109.05 1ii2 s VAL 364 Ca 0.05 0.46 -0.21 0.00 -1.81 0.00 0.00 61.98 60.47 1ii2 s VAL 364 Cb -0.27 -2.98 -0.05 0.00 0.56 0.00 0.00 36.38 33.64 1ii2 s VAL 364 CO 0.01 -0.27 1.29 -2.84 -0.31 0.00 0.00 175.10 172.98 1ii2 s PRO 365 N -4.04 3.15 0.00 4.82 0.02 -1.26 -3.91 135.00 133.78 1ii2 s PRO 365 Ca 0.69 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.78 1ii2 s PRO 365 Cb -0.23 -2.18 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1ii2 s PRO 365 CO 0.42 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.37 1ii2 n GLY 366 N 0.66 2.25 0.30 0.52 0.00 -1.26 -4.33 105.19 103.32 1ii2 n GLY 366 Ca 0.11 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1ii2 n GLY 366 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ii2 n VAL 367 N 0.00 -0.35 -4.44 1.61 0.24 -1.25 -4.21 118.33 109.93 1ii2 n VAL 367 Ca 0.00 1.88 -0.24 0.00 -2.04 0.00 0.00 64.34 63.94 1ii2 n VAL 367 Cb 0.00 -2.67 -0.10 0.00 -1.47 0.00 0.00 33.84 29.59 1ii2 n VAL 367 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ii2 s GLU 368 N -5.92 1.58 0.68 7.34 2.02 -1.26 -1.03 118.70 122.11 1ii2 s GLU 368 Ca -0.12 -1.68 -0.13 0.00 0.02 0.00 0.00 54.97 53.06 1ii2 s GLU 368 Cb 0.24 -1.68 0.01 0.00 0.10 0.00 0.00 34.13 32.79 1ii2 s GLU 368 CO 0.65 0.32 1.08 0.00 0.02 0.00 0.00 175.26 177.34 1ii2 s ALA 369 N -2.37 2.52 -1.56 5.21 0.00 -0.34 -4.13 121.76 121.10 1ii2 s ALA 369 Ca 0.26 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1ii2 s ALA 369 Cb -0.05 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1ii2 s ALA 369 CO 0.12 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.02 1ii2 n GLY 370 N -1.09 -0.00 3.99 0.00 0.00 -1.26 -5.01 105.19 101.82 1ii2 n GLY 370 Ca 0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1ii2 n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ii2 s GLY 371 N -2.31 1.82 0.15 -0.02 0.00 -1.26 -5.09 107.32 100.61 1ii2 s GLY 371 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 1ii2 s GLY 371 CO 0.00 -1.24 0.46 -0.51 0.00 0.00 0.00 173.10 171.81 1ii2 s THR 372 N -2.78 5.04 -0.52 0.90 -4.23 -1.26 -4.92 115.64 107.86 1ii2 s THR 372 Ca 0.60 0.38 0.01 0.00 -1.18 0.00 0.00 61.69 61.50 1ii2 s THR 372 Cb -0.08 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.13 1ii2 s THR 372 CO 0.39 0.10 0.85 0.54 -0.54 0.00 0.00 174.62 175.95 1ii2 n ARG 373 N 0.33 0.01 -4.71 3.99 5.12 -1.26 -4.53 116.66 115.61 1ii2 n ARG 373 Ca -0.03 0.32 -0.31 0.00 -1.93 0.00 0.00 57.85 55.89 1ii2 n ARG 373 Cb 0.52 -1.75 -0.12 0.00 -1.16 0.00 0.00 32.46 29.95 1ii2 n ARG 373 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1ii2 s THR 374 N -2.66 2.96 0.41 0.55 2.01 -1.26 -4.71 115.64 112.94 1ii2 s THR 374 Ca -0.00 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 1ii2 s THR 374 Cb 0.00 -2.23 -0.10 0.00 0.01 0.00 0.00 72.50 70.19 1ii2 s THR 374 CO 0.01 0.41 1.41 0.00 -0.69 0.00 0.00 174.62 175.76 1ii2 n ALA 375 N 1.76 1.93 -3.18 7.40 0.00 -1.26 -4.66 120.51 122.50 1ii2 n ALA 375 Ca -0.16 0.29 -0.28 0.00 0.00 0.00 0.00 53.44 53.29 1ii2 n ALA 375 Cb 0.52 -2.36 -0.17 0.00 0.00 0.00 0.00 19.45 17.44 1ii2 n ALA 375 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ii2 s ARG 376 N -2.25 2.23 0.56 0.00 3.00 -1.06 -4.96 118.95 116.47 1ii2 s ARG 376 Ca 0.58 -0.66 -0.21 0.00 0.00 0.00 0.00 55.73 55.45 1ii2 s ARG 376 Cb -0.48 -1.80 -0.05 0.00 0.00 0.00 0.00 34.95 32.62 1ii2 s ARG 376 CO 0.60 0.16 1.22 -2.30 0.00 0.00 0.00 175.30 174.98 1ii2 n PRO 377 N 3.47 1.39 -3.60 3.54 -0.02 -1.26 -0.56 135.00 137.97 1ii2 n PRO 377 Ca -0.20 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 1ii2 n PRO 377 Cb 0.52 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1ii2 n PRO 377 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ii2 s ILE 378 N -1.35 0.04 -0.35 4.25 2.07 -0.42 -4.73 121.20 120.71 1ii2 s ILE 378 Ca 0.73 -0.36 -0.02 0.00 -1.41 0.00 0.00 60.65 59.60 1ii2 s ILE 378 Cb -0.43 -1.02 0.08 0.00 0.13 0.00 0.00 42.46 41.22 1ii2 s ILE 378 CO 0.48 -0.20 0.09 -0.36 -1.91 0.00 0.00 174.94 173.05 1ii2 s PHE 379 N -2.88 3.44 -0.30 3.50 0.40 -1.26 -0.97 117.98 119.91 1ii2 s PHE 379 Ca -0.03 -2.18 -0.02 0.00 -0.60 0.00 0.00 56.93 54.10 1ii2 s PHE 379 Cb -0.00 -2.64 0.05 0.00 0.51 0.00 0.00 43.02 40.94 1ii2 s PHE 379 CO -0.05 -0.88 -0.00 0.45 0.70 0.00 0.00 175.22 175.43 1ii2 s SER 380 N 1.46 4.87 -0.21 1.36 0.15 0.79 -4.95 113.70 117.17 1ii2 s SER 380 Ca 0.02 -1.27 -0.43 0.00 0.70 0.00 0.00 55.95 54.97 1ii2 s SER 380 Cb -0.21 -1.71 -0.20 0.00 -1.71 0.00 0.00 66.02 62.20 1ii2 s SER 380 CO -0.03 -0.26 1.32 -1.20 1.20 0.00 0.00 173.24 174.28 1ii2 n SER 381 N 4.62 0.64 -1.65 5.45 7.64 -1.26 0.00 113.62 129.06 1ii2 n SER 381 Ca -0.13 1.17 -0.15 0.00 1.01 0.00 0.00 58.87 60.76 1ii2 n SER 381 Cb 0.43 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.66 1ii2 n SER 381 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ii2 n PHE 383 N -2.35 -0.97 -2.07 0.00 3.01 0.10 -4.69 117.46 110.48 1ii2 n PHE 383 Ca -0.16 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.25 1ii2 n PHE 383 Cb 0.53 -3.74 -0.05 0.00 -0.01 0.00 0.00 39.48 36.22 1ii2 n PHE 383 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ii2 n GLY 384 N -0.92 0.62 0.32 1.37 0.00 0.11 -3.70 105.19 102.99 1ii2 n GLY 384 Ca -0.23 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 45.83 1ii2 n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ii2 h GLY 385 N 0.15 1.47 2.00 -0.02 0.00 -1.55 -0.88 103.07 104.23 1ii2 h GLY 385 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ii2 h GLY 385 CO -0.20 -0.48 0.00 -1.05 0.00 0.00 0.00 176.54 174.81 1ii2 n PRO 386 N -5.31 0.15 0.00 4.80 -0.02 -1.26 -3.14 135.00 130.22 1ii2 n PRO 386 Ca 0.24 0.50 0.03 0.00 -2.02 0.00 0.00 63.50 62.25 1ii2 n PRO 386 Cb 0.80 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 1ii2 n PRO 386 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ii2 n PHE 387 N -2.16 0.00 -2.11 6.00 3.01 -0.35 -4.99 117.46 116.85 1ii2 n PHE 387 Ca 0.01 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 1ii2 n PHE 387 Cb 0.14 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1ii2 n PHE 387 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ii2 s LEU 388 N -1.93 3.96 -0.16 4.37 1.43 -1.10 -4.44 118.68 120.80 1ii2 s LEU 388 Ca 0.03 2.45 -0.08 0.00 -1.03 0.00 0.00 54.13 55.50 1ii2 s LEU 388 Cb 0.04 -4.25 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 1ii2 s LEU 388 CO 0.20 -1.12 -0.21 0.52 0.23 0.00 0.00 176.35 175.97 1ii2 n VAL 389 N -0.66 0.89 -1.94 -1.59 0.31 -1.26 -4.86 118.33 109.21 1ii2 n VAL 389 Ca 0.08 -0.23 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 1ii2 n VAL 389 Cb 0.47 -1.71 0.15 0.00 -0.91 0.00 0.00 33.84 31.84 1ii2 n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ii2 s ARG 390 N -2.30 1.11 0.52 5.55 1.81 -1.26 -0.32 118.95 124.06 1ii2 s ARG 390 Ca -0.23 -0.26 -0.19 0.00 -1.72 0.00 0.00 55.73 53.33 1ii2 s ARG 390 Cb 0.09 -1.90 -0.07 0.00 -0.45 0.00 0.00 34.95 32.62 1ii2 s ARG 390 CO 0.28 -2.11 1.06 -1.58 -0.68 0.00 0.00 175.30 172.27 1ii2 s HIS 391 N -3.76 2.92 0.29 -0.53 5.65 -1.26 -4.62 115.29 113.97 1ii2 s HIS 391 Ca 0.70 1.56 0.04 0.00 0.25 0.00 0.00 55.06 57.60 1ii2 s HIS 391 Cb -0.06 -3.11 0.69 0.00 -1.18 0.00 0.00 32.58 28.92 1ii2 s HIS 391 CO 0.51 -1.06 1.75 0.00 -0.65 0.00 0.00 174.74 175.30 1ii2 h ALA 392 N 1.26 1.51 -0.58 1.58 0.00 -1.96 -0.24 119.26 120.84 1ii2 h ALA 392 Ca -0.49 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1ii2 h ALA 392 Cb 1.23 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1ii2 h ALA 392 CO 0.58 -0.15 0.38 1.15 0.00 0.00 0.00 179.25 181.22 1ii2 h THR 393 N 0.62 0.97 -0.12 0.00 2.02 -1.95 -0.53 112.91 113.93 1ii2 h THR 393 Ca 0.55 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.55 1ii2 h THR 393 Cb 0.90 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1ii2 h THR 393 CO -0.42 0.09 0.08 0.15 0.37 0.00 0.00 175.52 175.79 1ii2 h PHE 394 N 0.51 0.15 -0.43 3.16 3.57 -1.40 -0.55 116.94 121.95 1ii2 h PHE 394 Ca 0.25 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 1ii2 h PHE 394 Cb 0.34 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1ii2 h PHE 394 CO -0.00 0.09 -0.23 1.88 -2.23 0.00 0.00 178.31 177.83 1ii2 h TYR 395 N 0.15 1.00 -0.82 0.41 0.05 -1.44 -2.59 116.97 113.74 1ii2 h TYR 395 Ca 0.04 -0.24 0.04 0.00 0.05 0.00 0.00 58.73 58.62 1ii2 h TYR 395 Cb -0.02 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.44 1ii2 h TYR 395 CO -0.07 1.01 0.52 0.78 -1.05 0.00 0.00 178.16 179.35 1ii2 h GLY 396 N 0.92 1.19 1.64 3.88 0.00 -0.77 -0.55 103.07 109.38 1ii2 h GLY 396 Ca 0.10 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1ii2 h GLY 396 CO 0.06 0.32 -0.32 0.83 0.00 0.00 0.00 176.54 177.43 1ii2 h GLU 397 N 0.99 0.41 -0.28 4.80 5.08 -0.97 -1.58 114.58 123.03 1ii2 h GLU 397 Ca 0.33 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1ii2 h GLU 397 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ii2 h GLU 397 CO -0.13 0.69 0.03 1.96 -1.00 0.00 0.00 179.01 180.56 1ii2 h GLN 398 N 0.36 0.47 -0.45 2.33 4.20 -0.92 -2.58 115.11 118.52 1ii2 h GLN 398 Ca 0.05 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1ii2 h GLN 398 Cb 0.74 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1ii2 h GLN 398 CO 0.06 0.60 0.20 1.25 -0.67 0.00 0.00 178.83 180.26 1ii2 h LEU 399 N 0.28 0.61 -0.72 1.46 5.85 -0.97 -1.11 115.31 120.71 1ii2 h LEU 399 Ca 0.08 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1ii2 h LEU 399 Cb 0.37 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1ii2 h LEU 399 CO 0.01 0.59 0.42 0.00 -0.34 0.00 0.00 178.44 179.12 1ii2 h ALA 400 N 1.04 0.97 -0.40 1.25 0.00 -1.24 0.33 119.26 121.20 1ii2 h ALA 400 Ca 0.15 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1ii2 h ALA 400 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ii2 h ALA 400 CO -0.02 0.12 -0.29 1.05 0.00 0.00 0.00 179.25 180.11 1ii2 h GLU 401 N 0.77 0.87 0.15 0.00 -0.00 -1.22 -2.09 114.58 113.05 1ii2 h GLU 401 Ca 0.32 -0.40 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1ii2 h GLU 401 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1ii2 h GLU 401 CO -0.17 1.04 -0.07 0.87 -0.00 0.00 0.00 179.01 180.68 1ii2 h LYS 402 N 0.73 -0.20 -0.35 1.06 1.79 -0.60 -1.95 116.57 117.06 1ii2 h LYS 402 Ca 0.08 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1ii2 h LYS 402 Cb 0.85 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1ii2 h LYS 402 CO 0.07 0.12 0.01 0.52 -1.08 0.00 0.00 179.45 179.10 1ii2 h MET 403 N -0.53 0.54 -0.17 3.15 2.86 -1.00 -1.16 114.93 118.62 1ii2 h MET 403 Ca -0.02 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1ii2 h MET 403 Cb 0.41 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1ii2 h MET 403 CO 0.03 0.56 -0.02 0.37 1.06 0.00 0.00 176.91 178.92 1ii2 h GLN 404 N 0.52 0.32 -0.17 1.72 5.75 -1.37 0.17 115.11 122.05 1ii2 h GLN 404 Ca 0.11 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1ii2 h GLN 404 Cb 0.32 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1ii2 h GLN 404 CO 0.01 0.56 -0.12 -0.22 -2.65 0.00 0.00 178.83 176.40 1ii2 h LYS 405 N 0.05 0.27 -0.53 1.69 3.64 -1.03 -3.08 116.57 117.58 1ii2 h LYS 405 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ii2 h LYS 405 Cb 0.42 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ii2 h LYS 405 CO 0.01 0.40 0.00 0.72 -2.27 0.00 0.00 179.45 178.31 1ii2 n HIS 406 N -4.27 0.73 -3.63 1.91 8.25 -0.46 -4.97 115.22 112.77 1ii2 n HIS 406 Ca -0.00 -0.51 -0.27 0.00 -0.26 0.00 0.00 57.72 56.68 1ii2 n HIS 406 Cb 0.27 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.37 1ii2 n HIS 406 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1ii2 n ASN 407 N 1.03 -4.36 -4.77 0.41 3.02 -0.05 -4.92 115.26 105.63 1ii2 n ASN 407 Ca 0.18 -0.59 -0.38 0.00 -0.03 0.00 0.00 54.58 53.76 1ii2 n ASN 407 Cb 0.53 -3.54 -0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1ii2 n ASN 407 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ii2 s SER 408 N -2.99 6.14 -0.18 6.41 0.01 -0.64 -4.98 113.70 117.46 1ii2 s SER 408 Ca 0.53 2.52 -0.10 0.00 1.31 0.00 0.00 55.95 60.21 1ii2 s SER 408 Cb -0.27 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 1ii2 s SER 408 CO 0.65 -0.96 0.16 -0.13 0.41 0.00 0.00 173.24 173.37 1ii2 s ARG 409 N -2.49 4.07 -0.15 12.44 1.81 -0.44 -4.91 118.95 129.29 1ii2 s ARG 409 Ca 0.61 -0.16 -0.04 0.00 -1.72 0.00 0.00 55.73 54.43 1ii2 s ARG 409 Cb -0.34 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 30.75 1ii2 s ARG 409 CO 0.43 0.38 -0.01 0.08 -0.68 0.00 0.00 175.30 175.50 1ii2 s VAL 410 N 0.12 4.18 0.11 3.52 1.01 -1.26 -0.13 120.40 127.95 1ii2 s VAL 410 Ca 0.10 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1ii2 s VAL 410 Cb -0.12 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1ii2 s VAL 410 CO -0.00 0.51 -0.18 0.26 0.00 0.00 0.00 175.10 175.69 1ii2 s TRP 411 N 0.08 1.62 -0.18 5.22 0.52 0.27 -0.72 118.94 125.76 1ii2 s TRP 411 Ca 0.01 -0.45 -0.00 0.00 0.02 0.00 0.00 56.10 55.68 1ii2 s TRP 411 Cb -0.13 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.33 1ii2 s TRP 411 CO 0.02 0.19 -0.16 -1.17 0.02 0.00 0.00 176.95 175.85 1ii2 s LEU 412 N -2.07 2.34 -0.13 2.99 2.96 -0.14 -0.55 118.68 124.07 1ii2 s LEU 412 Ca 0.06 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1ii2 s LEU 412 Cb -0.09 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.06 1ii2 s LEU 412 CO 0.04 0.01 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.12 1ii2 s LEU 413 N 1.24 2.21 -0.45 -0.68 1.43 -0.13 -1.64 118.68 120.67 1ii2 s LEU 413 Ca 0.03 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1ii2 s LEU 413 Cb -0.14 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.64 1ii2 s LEU 413 CO -0.09 0.11 0.92 0.21 0.23 0.00 0.00 176.35 177.73 1ii2 s ASN 414 N 0.67 6.50 -0.11 2.29 2.47 -1.04 -0.51 114.94 125.23 1ii2 s ASN 414 Ca -0.10 0.13 0.16 0.00 0.42 0.00 0.00 52.86 53.48 1ii2 s ASN 414 Cb -0.16 -2.45 0.60 0.00 -1.45 0.00 0.00 41.25 37.79 1ii2 s ASN 414 CO 0.02 -1.03 1.51 0.35 -3.72 0.00 0.00 177.10 174.23 1ii2 n THR 415 N 6.38 1.79 0.00 -5.21 -2.24 -0.52 -4.81 114.28 109.67 1ii2 n THR 415 Ca 0.06 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1ii2 n THR 415 Cb 0.48 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1ii2 n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ii2 n GLY 416 N 0.63 0.14 3.42 3.38 0.00 -1.24 -4.70 105.19 106.81 1ii2 n GLY 416 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1ii2 n GLY 416 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ii2 s TYR 417 N 1.34 2.04 0.04 1.61 2.02 -0.34 -0.15 117.35 123.90 1ii2 s TYR 417 Ca 0.00 -0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 56.20 1ii2 s TYR 417 Cb 0.00 -0.93 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 1ii2 s TYR 417 CO 0.00 0.54 0.08 0.00 -1.57 0.00 0.00 175.55 174.60 1ii2 s ALA 418 N -2.73 -0.02 0.00 3.71 0.00 -0.88 -3.90 121.76 117.94 1ii2 s ALA 418 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1ii2 s ALA 418 Cb -0.02 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1ii2 s ALA 418 CO 0.12 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ii2 n GLY 419 N 0.80 0.51 0.00 0.00 0.00 -1.26 -4.02 105.19 101.22 1ii2 n GLY 419 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ii2 n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ii2 n GLY 420 N -1.82 -2.35 3.80 -0.02 0.00 -1.26 -4.34 105.19 99.19 1ii2 n GLY 420 Ca 0.00 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.39 1ii2 n GLY 420 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii2 s ARG 421 N -1.93 4.29 0.26 1.61 0.52 -1.25 -3.67 118.95 118.78 1ii2 s ARG 421 Ca 0.00 0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 56.00 1ii2 s ARG 421 Cb 0.00 -3.26 0.38 0.00 0.52 0.00 0.00 34.95 32.59 1ii2 s ARG 421 CO 0.00 0.58 1.88 0.00 0.02 0.00 0.00 175.30 177.78 1ii2 h ALA 422 N 4.69 1.36 0.00 2.13 0.00 -1.39 0.02 119.26 126.07 1ii2 h ALA 422 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ii2 h ALA 422 Cb 1.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ii2 h ALA 422 CO 0.65 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.95 1ii2 n ASP 423 N -4.50 0.00 -0.27 0.00 5.68 -1.26 -2.20 116.55 114.00 1ii2 n ASP 423 Ca 0.15 -0.65 0.03 0.00 -0.50 0.00 0.00 54.79 53.82 1ii2 n ASP 423 Cb 0.16 -0.01 0.08 0.00 -1.14 0.00 0.00 41.12 40.21 1ii2 n ASP 423 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ii2 n ARG 424 N -1.01 2.83 -0.30 0.11 3.00 -0.09 -4.98 116.66 116.22 1ii2 n ARG 424 Ca 0.16 -1.83 0.00 0.00 -0.01 0.00 0.00 57.85 56.17 1ii2 n ARG 424 Cb 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.37 1ii2 n ARG 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ii2 n GLY 425 N -0.22 0.81 3.70 -0.13 0.00 -0.93 -4.91 105.19 103.51 1ii2 n GLY 425 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1ii2 n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ii2 s ALA 426 N -2.11 1.85 0.25 4.61 0.00 -0.72 -5.00 121.76 120.65 1ii2 s ALA 426 Ca 0.00 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1ii2 s ALA 426 Cb 0.00 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1ii2 s ALA 426 CO 0.00 -2.26 0.59 0.15 0.00 0.00 0.00 175.76 174.23 1ii2 s LYS 427 N -4.21 3.84 0.77 0.00 3.01 -1.26 -4.73 119.74 117.16 1ii2 s LYS 427 Ca 0.72 0.35 -0.11 0.00 -1.01 0.00 0.00 55.97 55.92 1ii2 s LYS 427 Cb -0.27 -2.60 0.05 0.00 -1.01 0.00 0.00 37.83 34.00 1ii2 s LYS 427 CO 0.51 0.28 1.08 1.03 0.51 0.00 0.00 175.35 178.76 1ii2 s ARG 428 N -2.88 2.31 -0.02 1.68 0.52 -1.26 -2.08 118.95 117.22 1ii2 s ARG 428 Ca 0.49 1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 56.44 1ii2 s ARG 428 Cb -0.11 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 1ii2 s ARG 428 CO 0.21 -1.57 1.79 1.41 0.02 0.00 0.00 175.30 177.16 1ii2 s MET 429 N -4.96 4.14 0.10 3.54 -2.45 0.79 -4.60 119.30 115.86 1ii2 s MET 429 Ca 0.61 2.35 -0.35 0.00 -1.25 0.00 0.00 55.69 57.04 1ii2 s MET 429 Cb -0.16 -4.06 -0.15 0.00 1.25 0.00 0.00 34.83 31.71 1ii2 s MET 429 CO 0.56 -0.92 1.51 -2.30 1.05 0.00 0.00 175.02 174.92 1ii2 n PRO 430 N 7.33 1.74 0.00 4.11 -0.02 -1.26 -4.83 135.00 142.07 1ii2 n PRO 430 Ca 0.19 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 1ii2 n PRO 430 Cb 0.42 -2.35 0.46 0.00 -0.02 0.00 0.00 33.50 32.01 1ii2 n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ii2 h LEU 431 N 5.65 0.42 -0.67 2.45 5.85 -2.00 -1.54 115.31 125.47 1ii2 h LEU 431 Ca -0.46 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.27 1ii2 h LEU 431 Cb 1.29 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 1ii2 h LEU 431 CO 0.85 0.29 0.43 -0.09 -0.34 0.00 0.00 178.44 179.58 1ii2 h ARG 432 N 0.49 0.83 0.24 1.25 2.43 -1.99 0.84 114.38 118.47 1ii2 h ARG 432 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1ii2 h ARG 432 Cb 0.07 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1ii2 h ARG 432 CO -0.04 0.55 -0.12 0.28 -1.51 0.00 0.00 179.97 179.13 1ii2 h VAL 433 N 0.85 0.78 -0.86 0.20 2.07 -1.61 0.43 116.25 118.11 1ii2 h VAL 433 Ca 0.26 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.71 1ii2 h VAL 433 Cb -0.03 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1ii2 h VAL 433 CO -0.09 0.02 0.55 0.74 0.02 0.00 0.00 177.57 178.82 1ii2 h THR 434 N -0.38 1.13 -0.59 2.57 2.02 -1.19 0.14 112.91 116.61 1ii2 h THR 434 Ca -0.03 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1ii2 h THR 434 Cb 0.29 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1ii2 h THR 434 CO 0.05 0.20 0.03 0.03 0.37 0.00 0.00 175.52 176.20 1ii2 h ARG 435 N 1.07 1.03 -0.72 6.66 3.08 -0.67 -0.91 114.38 123.92 1ii2 h ARG 435 Ca 0.35 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1ii2 h ARG 435 Cb 0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1ii2 h ARG 435 CO -0.12 1.00 0.24 0.00 -1.07 0.00 0.00 179.97 180.01 1ii2 h ALA 436 N 0.99 1.06 -0.42 0.04 0.00 -0.10 -0.86 119.26 119.97 1ii2 h ALA 436 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ii2 h ALA 436 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ii2 h ALA 436 CO 0.02 0.64 0.17 0.82 0.00 0.00 0.00 179.25 180.91 1ii2 h ILE 437 N 1.06 1.20 -0.44 0.00 2.04 -0.37 -1.43 117.51 119.56 1ii2 h ILE 437 Ca 0.23 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.43 1ii2 h ILE 437 Cb 0.28 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1ii2 h ILE 437 CO -0.01 0.22 0.03 0.40 0.00 0.00 0.00 178.15 178.79 1ii2 h ILE 438 N 0.54 1.22 -0.52 -0.67 2.04 -0.83 -1.28 117.51 118.02 1ii2 h ILE 438 Ca 0.14 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 1ii2 h ILE 438 Cb 0.18 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1ii2 h ILE 438 CO -0.01 0.31 0.17 0.44 0.00 0.00 0.00 178.15 179.06 1ii2 h ASP 439 N 0.67 0.70 0.77 1.72 3.32 -0.75 -0.79 116.42 122.05 1ii2 h ASP 439 Ca 0.14 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1ii2 h ASP 439 Cb 0.37 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ii2 h ASP 439 CO 0.01 0.66 -0.43 0.00 -1.72 0.00 0.00 179.24 177.76 1ii2 h ALA 440 N 1.44 1.01 -0.09 3.45 0.00 -0.37 0.14 119.26 124.83 1ii2 h ALA 440 Ca 0.17 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1ii2 h ALA 440 Cb 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ii2 h ALA 440 CO -0.01 0.54 -0.46 0.82 0.00 0.00 0.00 179.25 180.14 1ii2 h ILE 441 N 0.00 1.38 0.00 0.00 2.04 -0.50 -1.70 117.51 118.74 1ii2 h ILE 441 Ca -0.00 -1.80 -0.10 0.00 1.00 0.00 0.00 64.86 63.95 1ii2 h ILE 441 Cb 0.93 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1ii2 h ILE 441 CO 0.06 0.54 -0.47 0.45 0.00 0.00 0.00 178.15 178.72 1ii2 h HIS 442 N 0.05 0.00 0.00 1.37 3.86 -0.98 -3.00 115.15 116.45 1ii2 h HIS 442 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1ii2 h HIS 442 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1ii2 h HIS 442 CO 0.12 0.47 -0.16 -0.40 0.86 0.00 0.00 177.93 178.82 1ii2 n ASP 443 N -3.47 0.23 0.00 2.45 5.68 0.46 -4.92 116.55 116.98 1ii2 n ASP 443 Ca 0.00 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1ii2 n ASP 443 Cb 0.60 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1ii2 n ASP 443 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ii2 n GLY 444 N 1.48 1.40 0.24 6.12 0.00 -1.13 -4.92 105.19 108.38 1ii2 n GLY 444 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1ii2 n GLY 444 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ii2 h THR 445 N 0.00 1.28 -0.26 2.61 1.35 -1.79 -3.17 112.91 112.93 1ii2 h THR 445 Ca 0.00 -1.77 -0.04 0.00 -0.55 0.00 0.00 66.41 64.05 1ii2 h THR 445 Cb 0.00 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1ii2 h THR 445 CO 0.00 0.57 0.00 0.25 -0.25 0.00 0.00 175.52 176.09 1ii2 h LEU 446 N 0.61 0.36 -0.10 3.87 6.46 -1.63 -0.83 115.31 124.04 1ii2 h LEU 446 Ca 0.01 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1ii2 h LEU 446 Cb 1.17 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1ii2 h LEU 446 CO 0.12 0.42 0.00 -0.67 -0.62 0.00 0.00 178.44 177.69 1ii2 n ASP 447 N -4.33 0.29 -0.66 1.25 4.64 -1.21 -3.04 116.55 113.49 1ii2 n ASP 447 Ca 0.01 0.54 0.07 0.00 -1.38 0.00 0.00 54.79 54.03 1ii2 n ASP 447 Cb 0.21 -0.61 0.09 0.00 -1.04 0.00 0.00 41.12 39.77 1ii2 n ASP 447 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1ii2 n ARG 448 N -1.78 1.47 -2.61 -0.67 1.74 -0.36 -5.01 116.66 109.43 1ii2 n ARG 448 Ca 0.05 -1.58 -0.23 0.00 -0.77 0.00 0.00 57.85 55.32 1ii2 n ARG 448 Cb 0.31 -1.30 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1ii2 n ARG 448 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1ii2 s THR 449 N -1.19 3.09 0.16 0.55 -4.23 -0.92 -5.07 115.64 108.04 1ii2 s THR 449 Ca 0.21 -0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.01 1ii2 s THR 449 Cb 0.13 -3.19 -0.08 0.00 1.34 0.00 0.00 72.50 70.70 1ii2 s THR 449 CO 0.19 -0.16 0.79 -1.61 -0.54 0.00 0.00 174.62 173.29 1ii2 s GLU 450 N -4.83 4.58 0.23 3.99 2.02 -1.26 -4.98 118.70 118.44 1ii2 s GLU 450 Ca 0.55 1.17 0.09 0.00 0.02 0.00 0.00 54.97 56.80 1ii2 s GLU 450 Cb -0.10 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 1ii2 s GLU 450 CO 0.40 0.54 -0.01 0.71 0.02 0.00 0.00 175.26 176.93 1ii2 s TYR 451 N -1.04 2.74 0.14 1.61 1.51 -1.26 -1.63 117.35 119.42 1ii2 s TYR 451 Ca 0.36 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1ii2 s TYR 451 Cb -0.23 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1ii2 s TYR 451 CO 0.26 0.57 -0.10 -1.83 -1.11 0.00 0.00 175.55 173.35 1ii2 s GLU 452 N -3.37 1.03 -0.10 -0.62 -1.05 -0.00 -4.92 118.70 109.67 1ii2 s GLU 452 Ca 0.29 -1.44 -0.18 0.00 -0.15 0.00 0.00 54.97 53.50 1ii2 s GLU 452 Cb -0.08 -0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 33.00 1ii2 s GLU 452 CO 0.19 0.06 0.47 -2.00 0.95 0.00 0.00 175.26 174.93 1ii2 s GLU 453 N -3.76 4.29 -0.56 -4.83 2.12 -1.26 -0.90 118.70 113.80 1ii2 s GLU 453 Ca 0.16 0.46 -0.24 0.00 0.36 0.00 0.00 54.97 55.70 1ii2 s GLU 453 Cb 0.03 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 31.05 1ii2 s GLU 453 CO -0.00 0.23 0.97 -0.47 -0.54 0.00 0.00 175.26 175.45 1ii2 s TYR 454 N 0.39 2.76 0.29 5.30 5.04 0.12 -4.95 117.35 126.30 1ii2 s TYR 454 Ca 0.26 -0.02 -0.26 0.00 -2.44 0.00 0.00 57.07 54.61 1ii2 s TYR 454 Cb -0.15 -4.13 -0.15 0.00 0.35 0.00 0.00 41.96 37.87 1ii2 s TYR 454 CO 0.11 -1.41 0.62 -2.30 -1.34 0.00 0.00 175.55 171.24 1ii2 n PRO 455 N 7.59 0.51 0.00 4.97 -0.02 -1.26 0.04 135.00 146.83 1ii2 n PRO 455 Ca 0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ii2 n PRO 455 Cb 0.47 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1ii2 n PRO 455 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ii2 n GLY 456 N 1.76 1.44 0.19 -1.23 0.00 -1.26 -4.26 105.19 101.84 1ii2 n GLY 456 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1ii2 n GLY 456 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1ii2 h TRP 457 N 0.00 0.00 -0.17 1.61 4.06 -1.62 -1.43 115.95 118.40 1ii2 h TRP 457 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1ii2 h TRP 457 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 1ii2 h TRP 457 CO 0.00 0.35 -0.06 0.41 -3.56 0.00 0.00 178.44 175.58 1ii2 n GLY 458 N -0.50 0.58 3.76 1.49 0.00 0.11 -4.71 105.19 105.92 1ii2 n GLY 458 Ca -0.02 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1ii2 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii2 s LEU 459 N -0.79 4.46 -0.42 0.99 1.43 -1.20 -4.74 118.68 118.42 1ii2 s LEU 459 Ca 0.00 2.05 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 1ii2 s LEU 459 Cb 0.00 -3.80 0.02 0.00 0.03 0.00 0.00 46.19 42.44 1ii2 s LEU 459 CO 0.00 -0.10 0.54 -1.00 0.23 0.00 0.00 176.35 176.02 1ii2 s HIS 460 N -1.35 3.12 0.07 0.29 3.76 -1.26 0.13 115.29 120.05 1ii2 s HIS 460 Ca 0.47 -0.16 0.04 0.00 -0.15 0.00 0.00 55.06 55.26 1ii2 s HIS 460 Cb -0.26 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 1ii2 s HIS 460 CO 0.32 -0.76 0.00 0.96 -0.85 0.00 0.00 174.74 174.41 1ii2 s ILE 461 N 2.49 4.06 0.44 0.60 -4.36 -0.08 -1.62 121.20 122.73 1ii2 s ILE 461 Ca 0.18 -0.90 -0.24 0.00 -0.26 0.00 0.00 60.65 59.42 1ii2 s ILE 461 Cb -0.15 -2.91 -0.08 0.00 1.25 0.00 0.00 42.46 40.57 1ii2 s ILE 461 CO 0.16 0.17 1.22 -2.16 0.24 0.00 0.00 174.94 174.58 1ii2 s PRO 462 N -2.16 3.80 0.23 0.37 0.04 -1.26 -0.82 135.00 135.19 1ii2 s PRO 462 Ca 0.25 1.94 0.19 0.00 0.04 0.00 0.00 61.00 63.42 1ii2 s PRO 462 Cb -0.12 -2.54 0.04 0.00 0.04 0.00 0.00 34.50 31.93 1ii2 s PRO 462 CO 0.17 -0.57 1.18 0.87 0.04 0.00 0.00 177.00 178.69 1ii2 h LYS 463 N 2.26 0.00 -2.78 4.56 1.57 -1.66 -3.46 116.57 117.06 1ii2 h LYS 463 Ca -0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 1ii2 h LYS 463 Cb 1.25 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.33 1ii2 h LYS 463 CO 0.61 0.20 -0.23 -0.47 -0.57 0.00 0.00 179.45 178.99 1ii2 s TYR 464 N -3.11 -0.40 -0.10 -1.35 6.14 -1.26 -4.96 117.35 112.30 1ii2 s TYR 464 Ca 0.01 0.93 -0.04 0.00 0.64 0.00 0.00 57.07 58.61 1ii2 s TYR 464 Cb 0.08 0.15 0.05 0.00 0.42 0.00 0.00 41.96 42.66 1ii2 s TYR 464 CO 0.76 -0.26 0.22 0.08 0.64 0.00 0.00 175.55 176.99 1ii2 s VAL 465 N -0.14 -0.12 0.21 3.14 1.01 -1.26 -4.93 120.40 118.31 1ii2 s VAL 465 Ca -0.03 0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.82 1ii2 s VAL 465 Cb -0.03 -0.35 -0.13 0.00 0.00 0.00 0.00 36.38 35.87 1ii2 s VAL 465 CO 0.02 0.08 1.59 0.00 0.00 0.00 0.00 175.10 176.78 1ii2 n ALA 466 N 4.49 1.93 -1.17 5.51 0.00 -1.26 -1.89 120.51 128.12 1ii2 n ALA 466 Ca -0.21 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1ii2 n ALA 466 Cb 0.52 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1ii2 n ALA 466 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ii2 n LYS 467 N 3.05 -0.71 -4.05 0.00 5.02 -1.26 -4.79 118.16 115.41 1ii2 n LYS 467 Ca 0.14 0.60 -0.29 0.00 -2.02 0.00 0.00 58.31 56.74 1ii2 n LYS 467 Cb 0.32 -4.40 -0.17 0.00 -0.02 0.00 0.00 35.03 30.77 1ii2 n LYS 467 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ii2 s VAL 468 N -2.06 1.40 0.14 -0.18 1.01 -0.79 -4.84 120.40 115.08 1ii2 s VAL 468 Ca 0.00 -0.53 -0.35 0.00 0.00 0.00 0.00 61.98 61.10 1ii2 s VAL 468 Cb 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 36.38 34.90 1ii2 s VAL 468 CO 0.00 0.43 1.46 -2.65 0.00 0.00 0.00 175.10 174.34 1ii2 n PRO 469 N 4.73 1.76 -0.23 2.72 -0.02 -1.26 -4.61 135.00 138.09 1ii2 n PRO 469 Ca -0.16 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 1ii2 n PRO 469 Cb 0.50 -2.34 0.32 0.00 -0.02 0.00 0.00 33.50 31.96 1ii2 n PRO 469 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ii2 h GLU 470 N 5.19 0.82 0.00 -0.52 4.22 -1.93 -2.03 114.58 120.33 1ii2 h GLU 470 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1ii2 h GLU 470 Cb 1.29 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ii2 h GLU 470 CO 0.83 0.54 0.00 -2.39 -2.18 0.00 0.00 179.01 175.81 1ii2 n HIS 471 N -4.49 0.03 -0.01 0.92 1.44 -1.26 -2.35 115.22 109.50 1ii2 n HIS 471 Ca 0.12 0.01 -0.04 0.00 -2.01 0.00 0.00 57.72 55.80 1ii2 n HIS 471 Cb 0.24 -0.52 -0.12 0.00 0.12 0.00 0.00 29.99 29.71 1ii2 n HIS 471 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1ii2 n LEU 472 N -1.53 0.67 -0.08 2.39 4.77 -0.76 -3.15 117.00 119.30 1ii2 n LEU 472 Ca 0.03 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.46 1ii2 n LEU 472 Cb 0.13 0.18 0.55 0.00 -2.33 0.00 0.00 43.42 41.95 1ii2 n LEU 472 CO 0.10 0.28 1.19 -0.07 -1.33 0.00 0.00 177.39 177.57 1ii2 h LEU 473 N 0.00 0.28 -7.92 2.23 3.38 -1.52 -3.32 115.31 108.44 1ii2 h LEU 473 Ca -0.27 0.01 -0.69 0.00 0.09 0.00 0.00 57.88 57.03 1ii2 h LEU 473 Cb 1.82 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 42.18 1ii2 h LEU 473 CO 0.05 0.16 -0.64 0.21 0.09 0.00 0.00 178.44 178.31 1ii2 s ASN 474 N -6.16 5.04 0.36 -0.43 3.84 -1.26 -4.46 114.94 111.87 1ii2 s ASN 474 Ca -0.07 -1.66 0.19 0.00 0.21 0.00 0.00 52.86 51.53 1ii2 s ASN 474 Cb 0.20 -1.76 1.29 0.00 -0.55 0.00 0.00 41.25 40.43 1ii2 s ASN 474 CO 0.75 -0.39 1.59 -0.65 -2.79 0.00 0.00 177.10 175.61 1ii2 h PRO 475 N 7.99 0.03 -0.12 0.43 0.11 -1.84 -1.05 132.00 137.56 1ii2 h PRO 475 Ca -0.16 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.99 1ii2 h PRO 475 Cb 1.05 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1ii2 h PRO 475 CO 0.60 0.02 -0.26 -0.09 -0.21 0.00 0.00 178.00 178.06 1ii2 h ARG 476 N 0.03 -0.33 -0.10 1.05 2.43 -1.90 -1.83 114.38 113.73 1ii2 h ARG 476 Ca 0.82 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 60.05 1ii2 h ARG 476 Cb 2.14 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.76 1ii2 h ARG 476 CO -0.76 -0.22 0.15 0.87 -1.51 0.00 0.00 179.97 178.49 1ii2 h LYS 477 N -0.34 0.00 0.00 0.20 1.57 -1.41 -2.44 116.57 114.15 1ii2 h LYS 477 Ca 0.10 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1ii2 h LYS 477 Cb 0.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1ii2 h LYS 477 CO -0.31 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 177.80 1ii2 h ALA 478 N 1.81 0.59 -2.76 3.86 0.00 -1.28 -3.46 119.26 118.02 1ii2 h ALA 478 Ca 0.05 -0.69 -0.50 0.00 0.00 0.00 0.00 54.91 53.76 1ii2 h ALA 478 Cb 0.34 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ii2 h ALA 478 CO -0.00 0.95 0.49 -1.58 0.00 0.00 0.00 179.25 179.11 1ii2 s TRP 479 N -3.00 3.38 0.06 0.00 0.52 -0.92 -4.61 118.94 114.37 1ii2 s TRP 479 Ca 0.01 1.63 -0.15 0.00 0.02 0.00 0.00 56.10 57.61 1ii2 s TRP 479 Cb 0.10 -3.33 -0.22 0.00 -1.15 0.00 0.00 33.47 28.87 1ii2 s TRP 479 CO 0.78 -0.85 1.18 1.57 0.02 0.00 0.00 176.95 179.65 1ii2 h LYS 480 N 3.37 0.64 -4.67 4.98 -0.00 -1.89 -3.42 116.57 115.60 1ii2 h LYS 480 Ca -0.48 -0.67 -0.69 0.00 -0.00 0.00 0.00 60.65 58.81 1ii2 h LYS 480 Cb 1.22 0.18 -0.31 0.00 -0.00 0.00 0.00 32.23 33.33 1ii2 h LYS 480 CO 0.65 1.26 -0.62 0.34 -0.00 0.00 0.00 179.45 181.09 1ii2 s ASP 481 N -7.13 5.20 0.51 7.07 -1.08 -1.26 -4.97 116.67 115.01 1ii2 s ASP 481 Ca -0.11 -1.31 0.19 0.00 -0.52 0.00 0.00 52.55 50.80 1ii2 s ASP 481 Cb 0.06 -1.82 1.28 0.00 -1.46 0.00 0.00 42.92 40.98 1ii2 s ASP 481 CO 0.90 -0.35 2.08 1.62 0.52 0.00 0.00 175.17 179.94 1ii2 h VAL 482 N 6.28 0.90 -0.44 1.11 3.04 -1.93 -1.17 116.25 124.04 1ii2 h VAL 482 Ca -0.21 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.43 1ii2 h VAL 482 Cb 1.07 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 31.17 1ii2 h VAL 482 CO 0.60 0.01 0.18 -0.09 -1.01 0.00 0.00 177.57 177.26 1ii2 h ARG 483 N 0.05 0.66 -0.49 4.17 1.12 -1.94 -0.87 114.38 117.09 1ii2 h ARG 483 Ca 0.12 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 1ii2 h ARG 483 Cb 0.40 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.23 1ii2 h ARG 483 CO -0.01 0.61 -0.02 1.96 -3.11 0.00 0.00 179.97 179.40 1ii2 h GLN 484 N 0.57 0.82 -0.33 0.20 4.20 -1.67 -1.79 115.11 117.12 1ii2 h GLN 484 Ca 0.15 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1ii2 h GLN 484 Cb 0.19 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1ii2 h GLN 484 CO -0.01 0.84 0.14 0.35 -0.67 0.00 0.00 178.83 179.48 1ii2 h PHE 485 N 0.76 0.49 -0.41 2.96 3.04 -1.01 -1.95 116.94 120.82 1ii2 h PHE 485 Ca 0.14 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 1ii2 h PHE 485 Cb 0.49 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1ii2 h PHE 485 CO 0.03 0.45 0.24 -0.91 -2.02 0.00 0.00 178.31 176.10 1ii2 h ASN 486 N 0.38 0.50 -0.55 0.41 2.35 -0.91 -0.41 115.58 117.35 1ii2 h ASN 486 Ca 0.11 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1ii2 h ASN 486 Cb 0.16 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1ii2 h ASN 486 CO -0.01 0.42 0.20 -0.33 -1.65 0.00 0.00 177.43 176.06 1ii2 h GLU 487 N 0.53 0.88 -0.05 0.81 5.08 -1.23 0.02 114.58 120.63 1ii2 h GLU 487 Ca 0.15 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1ii2 h GLU 487 Cb 0.02 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1ii2 h GLU 487 CO -0.03 0.75 -0.75 1.15 -1.00 0.00 0.00 179.01 179.13 1ii2 h THR 488 N 0.86 1.34 -0.75 1.13 2.02 -1.15 -1.61 112.91 114.75 1ii2 h THR 488 Ca 0.20 -2.06 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1ii2 h THR 488 Cb 0.23 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1ii2 h THR 488 CO -0.01 0.63 0.43 0.28 0.37 0.00 0.00 175.52 177.21 1ii2 h SER 489 N 0.20 0.92 -0.48 4.18 0.02 -0.93 -0.41 113.55 117.05 1ii2 h SER 489 Ca -0.08 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1ii2 h SER 489 Cb 1.42 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 1ii2 h SER 489 CO 0.15 0.73 0.30 0.50 -1.14 0.00 0.00 176.83 177.37 1ii2 h LYS 490 N 1.03 0.58 -0.44 3.45 3.64 -0.96 0.84 116.57 124.70 1ii2 h LYS 490 Ca 0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ii2 h LYS 490 Cb -0.00 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1ii2 h LYS 490 CO -0.05 0.38 0.24 1.49 -2.27 0.00 0.00 179.45 179.25 1ii2 h GLU 491 N 0.60 0.62 -0.34 1.90 4.81 -0.67 -2.14 114.58 119.36 1ii2 h GLU 491 Ca 0.19 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.20 1ii2 h GLU 491 Cb -0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1ii2 h GLU 491 CO -0.07 0.50 -0.35 1.25 -0.73 0.00 0.00 179.01 179.61 1ii2 h LEU 492 N 0.58 0.83 -0.42 1.64 5.85 -0.76 -2.30 115.31 120.72 1ii2 h LEU 492 Ca 0.16 -0.36 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1ii2 h LEU 492 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1ii2 h LEU 492 CO -0.02 1.09 0.25 0.58 -0.34 0.00 0.00 178.44 180.00 1ii2 h VAL 493 N 0.65 1.05 -1.00 1.05 2.07 -0.70 -1.02 116.25 118.35 1ii2 h VAL 493 Ca 0.06 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ii2 h VAL 493 Cb 0.90 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1ii2 h VAL 493 CO 0.08 0.09 0.65 0.00 0.02 0.00 0.00 177.57 178.41 1ii2 h ALA 494 N 1.19 1.37 -0.82 1.67 0.00 -1.24 -0.48 119.26 120.95 1ii2 h ALA 494 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1ii2 h ALA 494 Cb 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1ii2 h ALA 494 CO -0.08 0.49 0.36 0.52 0.00 0.00 0.00 179.25 180.54 1ii2 h MET 495 N 1.21 1.21 -0.11 0.00 2.07 -0.77 -0.76 114.93 117.78 1ii2 h MET 495 Ca 0.42 -0.20 -0.01 0.00 -2.07 0.00 0.00 59.70 57.84 1ii2 h MET 495 Cb 0.10 -0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 29.62 1ii2 h MET 495 CO -0.16 0.95 0.02 0.74 1.07 0.00 0.00 176.91 179.54 1ii2 h PHE 496 N 1.18 0.20 -0.75 -0.22 -1.00 -0.13 -1.60 116.94 114.62 1ii2 h PHE 496 Ca 0.28 -0.03 0.01 0.00 2.81 0.00 0.00 57.97 61.04 1ii2 h PHE 496 Cb 0.17 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1ii2 h PHE 496 CO 0.02 0.39 0.50 1.96 -1.61 0.00 0.00 178.31 179.57 1ii2 h GLN 497 N -0.04 0.98 -0.36 1.51 4.20 -0.94 0.61 115.11 121.07 1ii2 h GLN 497 Ca 0.03 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1ii2 h GLN 497 Cb 0.30 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1ii2 h GLN 497 CO 0.00 0.65 0.14 0.93 -0.67 0.00 0.00 178.83 179.88 1ii2 h GLU 498 N 1.01 0.54 -0.16 1.46 5.08 -1.08 -0.61 114.58 120.82 1ii2 h GLU 498 Ca 0.28 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1ii2 h GLU 498 Cb -0.10 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1ii2 h GLU 498 CO -0.07 0.54 0.07 1.03 -1.00 0.00 0.00 179.01 179.58 1ii2 h SER 499 N 0.44 0.22 -0.39 1.42 0.87 -0.85 -0.82 113.55 114.43 1ii2 h SER 499 Ca 0.12 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ii2 h SER 499 Cb 0.20 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1ii2 h SER 499 CO -0.01 0.29 0.22 0.15 -0.53 0.00 0.00 176.83 176.96 1ii2 h PHE 500 N 0.13 0.53 -0.67 2.24 3.57 -0.81 -0.12 116.94 121.80 1ii2 h PHE 500 Ca 0.06 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1ii2 h PHE 500 Cb 0.14 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1ii2 h PHE 500 CO -0.02 0.39 0.23 0.77 -2.23 0.00 0.00 178.31 177.45 1ii2 h SER 501 N 0.50 0.94 0.37 0.41 0.02 -1.00 0.33 113.55 115.12 1ii2 h SER 501 Ca 0.14 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1ii2 h SER 501 Cb 0.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1ii2 h SER 501 CO -0.02 0.86 -0.69 0.00 -1.14 0.00 0.00 176.83 175.84 1ii2 h ALA 502 N 1.27 0.71 0.00 3.77 0.00 -0.85 -3.36 119.26 120.79 1ii2 h ALA 502 Ca 0.22 -0.59 -0.36 0.00 0.00 0.00 0.00 54.91 54.18 1ii2 h ALA 502 Cb 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ii2 h ALA 502 CO -0.01 0.77 -2.36 0.54 0.00 0.00 0.00 179.25 178.19 1ii2 n ARG 503 N -3.82 0.64 0.00 0.00 1.74 -0.08 -4.90 116.66 110.24 1ii2 n ARG 503 Ca -0.03 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1ii2 n ARG 503 Cb 0.68 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1ii2 n ARG 503 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1ii2 n PHE 504 N -3.14 0.00 -0.33 -1.55 3.01 0.90 -4.94 117.46 111.41 1ii2 n PHE 504 Ca -0.41 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 57.96 1ii2 n PHE 504 Cb 0.97 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.38 1ii2 n PHE 504 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ii2 h ALA 505 N 0.00 -0.41 -0.68 4.37 0.00 -0.97 -0.31 119.26 121.26 1ii2 h ALA 505 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.17 1ii2 h ALA 505 Cb 0.00 1.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 1ii2 h ALA 505 CO 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 179.25 178.12 1ii2 h ALA 506 N 0.61 0.28 -0.15 0.00 0.00 -1.86 -2.08 119.26 116.05 1ii2 h ALA 506 Ca 0.19 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ii2 h ALA 506 Cb 0.50 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ii2 h ALA 506 CO -0.85 -0.51 0.00 1.63 0.00 0.00 0.00 179.25 179.52 1ii2 n LYS 507 N -5.46 2.28 -2.00 0.00 5.02 -1.09 -4.99 118.16 111.91 1ii2 n LYS 507 Ca 0.08 -1.89 -0.37 0.00 -2.02 0.00 0.00 58.31 54.11 1ii2 n LYS 507 Cb 0.37 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.92 1ii2 n LYS 507 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ii2 s ALA 508 N -1.83 2.76 0.87 7.82 0.00 -0.15 -5.02 121.76 126.22 1ii2 s ALA 508 Ca 0.33 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1ii2 s ALA 508 Cb 0.21 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.97 1ii2 s ALA 508 CO 0.31 -1.10 1.15 -1.54 0.00 0.00 0.00 175.76 174.58 1ii2 s SER 509 N -1.31 3.91 0.28 0.00 1.04 -1.26 -4.84 113.70 111.53 1ii2 s SER 509 Ca 0.72 0.94 0.01 0.00 0.48 0.00 0.00 55.95 58.09 1ii2 s SER 509 Cb -0.33 -1.50 0.42 0.00 0.10 0.00 0.00 66.02 64.70 1ii2 s SER 509 CO 0.38 -2.30 1.77 -0.61 0.98 0.00 0.00 173.24 173.47 1ii2 h GLN 510 N -1.32 0.64 -0.60 4.02 5.75 -1.99 -1.52 115.11 120.09 1ii2 h GLN 510 Ca -0.49 -0.18 -0.09 0.00 -0.15 0.00 0.00 58.65 57.74 1ii2 h GLN 510 Cb 1.33 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 1ii2 h GLN 510 CO 0.63 0.71 0.01 1.49 -2.65 0.00 0.00 178.83 179.02 1ii2 h GLU 511 N 0.59 1.05 -0.25 1.69 4.81 -1.99 -1.31 114.58 119.17 1ii2 h GLU 511 Ca 0.11 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1ii2 h GLU 511 Cb 0.49 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1ii2 h GLU 511 CO 0.03 1.03 0.01 1.98 -0.73 0.00 0.00 179.01 181.33 1ii2 h MET 512 N 0.95 0.43 -0.22 1.92 4.05 -1.82 -2.96 114.93 117.28 1ii2 h MET 512 Ca 0.17 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 1ii2 h MET 512 Cb 0.55 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1ii2 h MET 512 CO 0.03 0.59 -0.07 0.87 0.23 0.00 0.00 176.91 178.56 1ii2 h LYS 513 N 0.22 0.35 0.00 0.39 1.57 -1.16 -1.48 116.57 116.45 1ii2 h LYS 513 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ii2 h LYS 513 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ii2 h LYS 513 CO 0.01 0.43 0.00 0.77 -0.57 0.00 0.00 179.45 180.09 1ii2 h SER 514 N 0.33 0.00 1.19 0.86 0.02 -1.08 -2.31 113.55 112.56 1ii2 h SER 514 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ii2 h SER 514 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ii2 h SER 514 CO 0.02 0.00 -0.09 0.00 -1.14 0.00 0.00 176.83 175.62 1ii2 n ALA 515 N -1.93 2.43 -1.78 3.77 0.00 -0.56 -4.85 120.51 117.60 1ii2 n ALA 515 Ca 0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1ii2 n ALA 515 Cb 0.26 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1ii2 n ALA 515 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ii2 s VAL 516 N -3.07 2.38 0.63 0.00 1.01 -0.87 -4.96 120.40 115.53 1ii2 s VAL 516 Ca 0.11 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 1ii2 s VAL 516 Cb 0.15 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1ii2 s VAL 516 CO 0.59 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.62 1ii2 s PRO 517 N 1.77 3.06 0.12 2.72 0.04 -1.26 -5.03 135.00 136.42 1ii2 s PRO 517 Ca 0.76 1.25 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1ii2 s PRO 517 Cb -0.47 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1ii2 s PRO 517 CO 0.33 -1.03 -0.16 -0.98 0.04 0.00 0.00 177.00 175.21 1ii2 s ARG 518 N -4.20 1.06 -0.17 4.56 3.03 -0.54 -4.84 118.95 117.86 1ii2 s ARG 518 Ca 0.64 -1.23 -0.22 0.00 2.03 0.00 0.00 55.73 56.96 1ii2 s ARG 518 Cb -0.17 -1.04 -0.03 0.00 -1.03 0.00 0.00 34.95 32.68 1ii2 s ARG 518 CO 0.41 0.21 0.67 -0.47 -1.13 0.00 0.00 175.30 174.99 1ii2 s TYR 519 N -1.89 3.42 -0.28 5.89 5.04 -1.26 -3.70 117.35 124.56 1ii2 s TYR 519 Ca 0.09 1.03 0.01 0.00 -2.44 0.00 0.00 57.07 55.75 1ii2 s TYR 519 Cb -0.06 -2.83 0.08 0.00 0.35 0.00 0.00 41.96 39.50 1ii2 s TYR 519 CO 0.04 -0.14 0.03 0.08 -1.34 0.00 0.00 175.55 174.22 1ii2 s VAL 520 N 1.75 1.36 0.22 3.14 1.01 -1.26 -4.98 120.40 121.63 1ii2 s VAL 520 Ca 0.32 -1.43 -0.32 0.00 0.00 0.00 0.00 61.98 60.54 1ii2 s VAL 520 Cb -0.16 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.24 1ii2 s VAL 520 CO 0.12 -0.40 1.63 1.21 0.00 0.00 0.00 175.10 177.65 1ii2 n GLU 521 N 4.69 2.51 -2.90 2.72 2.13 -1.26 -4.83 120.64 123.70 1ii2 n GLU 521 Ca -0.05 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.24 1ii2 n GLU 521 Cb 0.43 -2.70 -0.05 0.00 0.27 0.00 0.00 31.44 29.40 1ii2 n GLU 521 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1ii2 s PHE 522 N 0.73 2.97 0.00 4.31 5.36 -1.26 -5.15 117.98 124.95 1ii2 s PHE 522 Ca 0.73 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1ii2 s PHE 522 Cb -0.57 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.35 1ii2 s PHE 522 CO 0.39 -1.01 0.19 0.00 -1.46 0.00 0.00 175.22 173.32