#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a31 s THR 8 N 0.00 3.43 0.50 -0.18 -4.23 -1.26 -4.98 115.64 108.93 3a31 s THR 8 Ca 0.00 -0.94 0.32 0.00 -1.18 0.00 0.00 61.69 59.88 3a31 s THR 8 Cb 0.00 -3.18 0.51 0.00 1.34 0.00 0.00 72.50 71.17 3a31 s THR 8 CO 0.00 -0.08 1.80 1.12 -0.54 0.00 0.00 174.62 176.92 3a31 h HIS 9 N 0.67 0.18 -0.65 3.99 2.07 -1.89 0.24 115.15 119.76 3a31 h HIS 9 Ca -0.43 0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.12 3a31 h HIS 9 Cb 1.27 -0.05 -0.04 0.00 2.57 0.00 0.00 27.41 31.16 3a31 h HIS 9 CO 0.41 0.01 0.41 0.82 -3.07 0.00 0.00 177.93 176.51 3a31 h ILE 10 N 0.10 1.11 -0.47 6.12 2.04 -1.94 0.63 117.51 125.10 3a31 h ILE 10 Ca 0.57 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 66.03 3a31 h ILE 10 Cb 2.05 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 3a31 h ILE 10 CO -0.09 0.15 -0.16 0.44 0.00 0.00 0.00 178.15 178.49 3a31 h ASP 11 N 0.82 0.96 -0.25 1.72 3.32 -0.97 -2.59 116.42 119.42 3a31 h ASP 11 Ca 0.25 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 56.75 3a31 h ASP 11 Cb -0.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3a31 h ASP 11 CO -0.09 1.12 -0.55 1.88 -1.72 0.00 0.00 179.24 179.88 3a31 h TYR 12 N 0.79 1.03 -0.89 4.55 0.05 -0.64 -0.13 116.97 121.74 3a31 h TYR 12 Ca 0.11 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 3a31 h TYR 12 Cb 0.73 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.24 3a31 h TYR 12 CO 0.05 1.20 0.49 0.00 -1.05 0.00 0.00 178.16 178.85 3a31 h ALA 13 N 0.64 1.14 -0.24 3.88 0.00 0.23 -0.24 119.26 124.66 3a31 h ALA 13 Ca 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3a31 h ALA 13 Cb 1.16 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a31 h ALA 13 CO 0.12 0.65 -0.22 -0.92 0.00 0.00 0.00 179.25 178.88 3a31 h TYR 14 N 1.24 0.69 -0.45 0.00 3.20 -1.33 0.20 116.97 120.52 3a31 h TYR 14 Ca 0.31 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3a31 h TYR 14 Cb 0.03 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3a31 h TYR 14 CO 0.01 0.90 -0.01 0.93 -1.64 0.00 0.00 178.16 178.35 3a31 h GLU 15 N 0.29 0.73 -0.06 1.82 5.08 -0.39 -1.47 114.58 120.58 3a31 h GLU 15 Ca 0.04 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3a31 h GLU 15 Cb 0.77 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3a31 h GLU 15 CO 0.06 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 180.09 3a31 n LEU 16 N -4.22 1.19 -3.31 1.33 4.77 -0.16 -4.44 117.00 112.16 3a31 n LEU 16 Ca 0.02 -0.44 -0.24 0.00 -0.03 0.00 0.00 56.01 55.32 3a31 n LEU 16 Cb 0.29 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3a31 n LEU 16 CO 0.41 0.22 0.03 -0.67 -1.33 0.00 0.00 177.39 176.05 3a31 n ASP 17 N -0.04 -5.22 0.09 -1.43 2.03 -0.55 -4.58 116.55 106.85 3a31 n ASP 17 Ca 0.18 -0.41 -0.17 0.00 0.52 0.00 0.00 54.79 54.91 3a31 n ASP 17 Cb 0.28 -4.22 -0.10 0.00 -0.72 0.00 0.00 41.12 36.36 3a31 n ASP 17 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3a31 h ILE 18 N -1.48 1.40 -3.90 5.18 2.04 -0.87 -0.32 117.51 119.56 3a31 h ILE 18 Ca -0.51 -2.66 -0.27 0.00 1.00 0.00 0.00 64.86 62.43 3a31 h ILE 18 Cb 1.34 2.67 -0.15 0.00 -0.74 0.00 0.00 36.82 39.95 3a31 h ILE 18 CO 0.57 0.79 -0.66 0.42 0.00 0.00 0.00 178.15 179.27 3a31 s THR 19 N -2.98 0.55 0.07 -0.27 -4.23 -1.01 -1.62 115.64 106.15 3a31 s THR 19 Ca -0.06 -1.97 -0.27 0.00 -1.18 0.00 0.00 61.69 58.22 3a31 s THR 19 Cb 0.07 -2.13 -0.06 0.00 1.34 0.00 0.00 72.50 71.73 3a31 s THR 19 CO 0.89 -0.45 0.84 -0.69 -0.54 0.00 0.00 174.62 174.67 3a31 s VAL 20 N -3.74 4.63 -0.00 2.29 1.01 0.09 -4.29 120.40 120.38 3a31 s VAL 20 Ca 0.25 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 3a31 s VAL 20 Cb 0.06 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3a31 s VAL 20 CO 0.04 0.35 1.06 -0.75 0.00 0.00 0.00 175.10 175.81 3a31 s LYS 21 N -0.08 4.49 0.42 2.72 2.20 -1.26 -4.66 119.74 123.56 3a31 s LYS 21 Ca 0.41 1.54 0.17 0.00 -0.36 0.00 0.00 55.97 57.73 3a31 s LYS 21 Cb -0.22 -3.45 0.92 0.00 -1.51 0.00 0.00 37.83 33.57 3a31 s LYS 21 CO 0.26 -0.18 1.90 -1.00 -0.36 0.00 0.00 175.35 175.96 3a31 h PRO 22 N 6.90 0.00 -0.27 4.03 0.13 -1.97 -2.62 132.00 138.21 3a31 h PRO 22 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3a31 h PRO 22 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3a31 h PRO 22 CO 0.79 0.29 0.00 -0.40 -0.23 0.00 0.00 178.00 178.45 3a31 n ASP 23 N -3.97 2.42 -4.77 1.44 5.75 -1.26 -1.51 116.55 114.65 3a31 n ASP 23 Ca -0.02 -1.84 -0.40 0.00 -0.01 0.00 0.00 54.79 52.52 3a31 n ASP 23 Cb 0.35 -0.17 0.01 0.00 -1.03 0.00 0.00 41.12 40.28 3a31 n ASP 23 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3a31 s SER 24 N -1.50 6.02 0.06 -1.12 0.01 -0.99 -4.81 113.70 111.37 3a31 s SER 24 Ca 0.34 2.94 -0.28 0.00 1.31 0.00 0.00 55.95 60.26 3a31 s SER 24 Cb 0.19 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 3a31 s SER 24 CO 0.28 -1.08 0.90 -0.13 0.41 0.00 0.00 173.24 173.62 3a31 s ARG 25 N -2.34 4.60 -0.02 12.44 1.81 -1.26 -1.00 118.95 133.18 3a31 s ARG 25 Ca 0.59 1.31 -0.30 0.00 -1.72 0.00 0.00 55.73 55.61 3a31 s ARG 25 Cb -0.44 -3.40 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 3a31 s ARG 25 CO 0.58 0.16 1.40 0.08 -0.68 0.00 0.00 175.30 176.84 3a31 s VAL 26 N 0.25 3.76 0.51 3.52 1.01 0.31 -4.87 120.40 124.90 3a31 s VAL 26 Ca 0.45 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 3a31 s VAL 26 Cb -0.22 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3a31 s VAL 26 CO 0.27 -0.02 0.66 -2.65 0.00 0.00 0.00 175.10 173.36 3a31 n PRO 27 N 5.57 0.71 0.00 2.72 -0.02 -1.26 -1.32 135.00 141.40 3a31 n PRO 27 Ca 0.13 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3a31 n PRO 27 Cb 0.44 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3a31 n PRO 27 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a31 n VAL 28 N -1.28 0.00 0.28 -1.45 0.31 -1.26 -4.41 118.33 110.52 3a31 n VAL 28 Ca 0.11 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.60 3a31 n VAL 28 Cb 0.44 0.00 0.77 0.00 -0.91 0.00 0.00 33.84 34.14 3a31 n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3a31 h PHE 29 N 0.00 0.00 -6.16 3.52 0.04 -1.94 -3.47 116.94 108.93 3a31 h PHE 29 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 3a31 h PHE 29 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3a31 h PHE 29 CO 0.00 0.08 -0.33 0.09 -0.60 0.00 0.00 178.31 177.56 3a31 n ASN 30 N -3.37 -1.36 -4.18 2.17 3.02 -0.43 -4.96 115.26 106.15 3a31 n ASN 30 Ca -0.01 -0.33 -0.12 0.00 -0.03 0.00 0.00 54.58 54.08 3a31 n ASN 30 Cb 0.25 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 3a31 n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3a31 s ARG 31 N -3.91 0.85 0.61 3.52 0.52 -1.26 -4.89 118.95 114.40 3a31 s ARG 31 Ca 0.05 -1.27 -0.18 0.00 -0.52 0.00 0.00 55.73 53.82 3a31 s ARG 31 Cb -0.03 -0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 3a31 s ARG 31 CO 0.28 0.03 1.17 -1.21 0.02 0.00 0.00 175.30 175.59 3a31 s GLU 32 N -3.39 2.90 0.46 3.54 2.02 -1.26 0.11 118.70 123.09 3a31 s GLU 32 Ca 0.09 1.68 0.14 0.00 0.02 0.00 0.00 54.97 56.91 3a31 s GLU 32 Cb 0.02 -1.94 1.09 0.00 0.10 0.00 0.00 34.13 33.40 3a31 s GLU 32 CO -0.02 -1.23 2.05 0.74 0.02 0.00 0.00 175.26 176.82 3a31 h PHE 33 N 0.62 0.29 0.00 1.61 0.04 -0.54 -2.23 116.94 116.72 3a31 h PHE 33 Ca -0.49 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.25 3a31 h PHE 33 Cb 1.28 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3a31 h PHE 33 CO 0.49 0.16 -0.19 0.00 -0.60 0.00 0.00 178.31 178.18 3a31 h ALA 34 N 1.80 1.14 0.00 2.45 0.00 -1.55 -0.51 119.26 122.59 3a31 h ALA 34 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a31 h ALA 34 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a31 h ALA 34 CO -0.03 0.24 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3a31 n THR 35 N -3.52 0.00 -0.07 0.00 -2.24 -0.84 -1.80 114.28 105.80 3a31 n THR 35 Ca -0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 3a31 n THR 35 Cb 0.35 -0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 67.87 3a31 n THR 35 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3a31 n PHE 36 N -1.00 0.00 -0.03 4.78 3.72 -0.23 -4.80 117.46 119.89 3a31 n PHE 36 Ca 0.18 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 3a31 n PHE 36 Cb 0.08 -0.63 -0.17 0.00 -0.94 0.00 0.00 39.48 37.83 3a31 n PHE 36 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3a31 n THR 37 N -2.76 0.36 0.00 4.37 -2.24 -0.99 -5.10 114.28 107.92 3a31 n THR 37 Ca -0.25 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3a31 n THR 37 Cb 0.85 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3a31 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a31 n GLY 38 N 1.39 0.64 3.78 3.38 0.00 -0.75 -4.85 105.19 108.78 3a31 n GLY 38 Ca -0.11 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3a31 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a31 s ALA 39 N -1.82 2.63 -0.16 4.61 0.00 -1.26 -3.88 121.76 121.88 3a31 s ALA 39 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 3a31 s ALA 39 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3a31 s ALA 39 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3a31 n GLY 40 N -0.16 0.50 2.96 0.00 0.00 -1.26 -4.85 105.19 102.38 3a31 n GLY 40 Ca 0.11 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3a31 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a31 s VAL 41 N -1.88 2.76 0.19 1.61 1.01 -1.25 -0.08 120.40 122.75 3a31 s VAL 41 Ca 0.00 -3.44 -0.32 0.00 0.00 0.00 0.00 61.98 58.22 3a31 s VAL 41 Cb 0.00 -2.88 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 3a31 s VAL 41 CO 0.00 -0.84 1.63 -2.84 0.00 0.00 0.00 175.10 173.05 3a31 s PRO 42 N -0.46 4.17 -0.42 2.72 0.02 -1.26 -4.95 135.00 134.82 3a31 s PRO 42 Ca 0.18 2.47 -0.10 0.00 0.02 0.00 0.00 61.00 63.58 3a31 s PRO 42 Cb -0.22 -3.12 0.08 0.00 0.02 0.00 0.00 34.50 31.26 3a31 s PRO 42 CO -0.03 -0.67 0.27 -1.17 -0.33 0.00 0.00 177.00 175.08 3a31 s LEU 43 N 1.11 5.21 0.33 -5.54 2.96 -1.26 -5.05 118.68 116.44 3a31 s LEU 43 Ca 0.72 -1.50 -0.27 0.00 -0.22 0.00 0.00 54.13 52.86 3a31 s LEU 43 Cb -0.46 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.13 3a31 s LEU 43 CO 0.32 -0.55 1.08 -0.36 -1.32 0.00 0.00 176.35 175.52 3a31 s PHE 44 N 1.44 3.45 0.00 5.38 0.08 -1.26 -0.74 117.98 126.33 3a31 s PHE 44 Ca 0.03 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.76 3a31 s PHE 44 Cb -0.23 -3.22 0.00 0.00 -0.57 0.00 0.00 43.02 38.99 3a31 s PHE 44 CO 0.02 -0.59 0.00 0.45 -0.10 0.00 0.00 175.22 175.00 3a31 n SER 45 N 0.67 0.90 -0.12 1.36 2.88 -0.64 -4.83 113.62 113.85 3a31 n SER 45 Ca 0.01 -0.27 -0.13 0.00 -1.33 0.00 0.00 58.87 57.15 3a31 n SER 45 Cb 0.47 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.90 3a31 n SER 45 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3a31 h LEU 46 N 0.00 0.96 -1.51 2.46 4.07 -1.86 -0.88 115.31 118.55 3a31 h LEU 46 Ca 0.00 -0.47 -0.05 0.00 0.08 0.00 0.00 57.88 57.44 3a31 h LEU 46 Cb 0.00 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3a31 h LEU 46 CO 0.00 1.23 -0.25 1.23 -1.08 0.00 0.00 178.44 179.56 3a31 h GLY 47 N 0.71 0.00 1.51 0.83 0.00 -1.32 -3.14 103.07 101.66 3a31 h GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3a31 h GLY 47 CO 0.09 0.00 -0.46 -1.33 0.00 0.00 0.00 176.54 174.84 3a31 h GLY 48 N 0.96 0.00 0.85 4.60 0.00 -0.87 -3.38 103.07 105.23 3a31 h GLY 48 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3a31 h GLY 48 CO 0.03 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 175.04 3a31 h GLY 49 N 4.12 -0.60 1.88 4.60 0.00 -1.14 -2.32 103.07 109.61 3a31 h GLY 49 Ca 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 3a31 h GLY 49 CO 0.00 -0.22 -0.22 -2.55 0.00 0.00 0.00 176.54 173.55 3a31 h PRO 50 N -0.74 0.15 -0.54 4.80 0.11 -1.74 -1.61 132.00 132.43 3a31 h PRO 50 Ca -0.06 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.02 3a31 h PRO 50 Cb 0.52 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.59 3a31 h PRO 50 CO 0.10 0.37 0.36 0.82 -0.21 0.00 0.00 178.00 179.43 3a31 h ILE 51 N 0.14 1.14 -0.54 4.15 2.04 -1.71 0.50 117.51 123.23 3a31 h ILE 51 Ca 0.02 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 3a31 h ILE 51 Cb 0.48 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3a31 h ILE 51 CO 0.03 0.13 -0.10 0.03 0.00 0.00 0.00 178.15 178.25 3a31 h ARG 52 N 0.73 1.02 -0.43 2.37 3.08 -0.74 -0.89 114.38 119.52 3a31 h ARG 52 Ca 0.20 -0.37 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 3a31 h ARG 52 Cb -0.08 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3a31 h ARG 52 CO -0.04 1.06 -0.28 1.88 -1.07 0.00 0.00 179.97 181.52 3a31 h TYR 53 N 0.89 1.10 -0.42 3.04 -1.99 -1.20 -2.04 116.97 116.35 3a31 h TYR 53 Ca 0.14 -0.29 -0.03 0.00 2.00 0.00 0.00 58.73 60.54 3a31 h TYR 53 Cb 0.66 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 3a31 h TYR 53 CO 0.05 1.11 0.13 0.00 -0.00 0.00 0.00 178.16 179.45 3a31 h ALA 54 N 0.82 0.55 -0.26 3.88 0.00 -0.76 -1.47 119.26 122.03 3a31 h ALA 54 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3a31 h ALA 54 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3a31 h ALA 54 CO 0.08 0.20 0.13 1.25 0.00 0.00 0.00 179.25 180.91 3a31 h LEU 55 N 0.54 0.34 -0.61 0.00 5.85 -1.17 -1.13 115.31 119.13 3a31 h LEU 55 Ca 0.14 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3a31 h LEU 55 Cb 0.27 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3a31 h LEU 55 CO -0.00 0.36 0.32 0.00 -0.34 0.00 0.00 178.44 178.77 3a31 h ALA 56 N 0.99 0.80 -0.13 1.25 0.00 -0.97 0.08 119.26 121.28 3a31 h ALA 56 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a31 h ALA 56 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a31 h ALA 56 CO -0.01 -0.03 0.03 1.49 0.00 0.00 0.00 179.25 180.73 3a31 h GLU 57 N 0.59 0.21 -0.36 0.00 4.81 -1.07 0.19 114.58 118.95 3a31 h GLU 57 Ca 0.28 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3a31 h GLU 57 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3a31 h GLU 57 CO -0.19 0.38 0.03 0.28 -0.73 0.00 0.00 179.01 178.78 3a31 h VAL 58 N -0.00 1.25 -0.29 0.32 2.07 -1.14 -0.92 116.25 117.54 3a31 h VAL 58 Ca 0.04 -0.92 -0.18 0.00 0.82 0.00 0.00 66.70 66.46 3a31 h VAL 58 Cb 0.27 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3a31 h VAL 58 CO 0.00 0.31 -0.52 -0.07 0.02 0.00 0.00 177.57 177.31 3a31 h LEU 59 N 0.44 0.95 -0.14 2.57 3.38 -0.86 0.86 115.31 122.51 3a31 h LEU 59 Ca 0.11 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3a31 h LEU 59 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3a31 h LEU 59 CO 0.01 1.31 0.09 0.00 0.09 0.00 0.00 178.44 179.94 3a31 h ALA 60 N 0.68 0.18 -0.42 1.53 0.00 -0.62 -1.50 119.26 119.11 3a31 h ALA 60 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3a31 h ALA 60 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3a31 h ALA 60 CO 0.12 -0.32 -0.24 0.87 0.00 0.00 0.00 179.25 179.68 3a31 h LYS 61 N 0.18 0.86 -0.41 0.00 1.57 -1.13 -0.39 116.57 117.24 3a31 h LYS 61 Ca 0.05 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.49 3a31 h LYS 61 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3a31 h LYS 61 CO -0.01 1.00 0.24 0.35 -0.57 0.00 0.00 179.45 180.46 3a31 h PHE 62 N 0.74 0.44 -0.39 -1.35 3.57 -0.76 -0.47 116.94 118.71 3a31 h PHE 62 Ca 0.10 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3a31 h PHE 62 Cb 0.78 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3a31 h PHE 62 CO 0.04 0.25 -0.02 0.45 -2.23 0.00 0.00 178.31 176.81 3a31 h HIS 63 N 0.48 0.78 -0.96 0.41 3.86 -1.16 -2.09 115.15 116.47 3a31 h HIS 63 Ca 0.16 -0.14 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3a31 h HIS 63 Cb 0.02 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.22 3a31 h HIS 63 CO -0.08 0.80 0.62 0.00 0.86 0.00 0.00 177.93 180.13 3a31 h ALA 64 N 0.87 1.49 0.00 2.45 0.00 -0.75 -1.24 119.26 122.09 3a31 h ALA 64 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3a31 h ALA 64 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3a31 h ALA 64 CO 0.02 0.34 -0.20 0.00 0.00 0.00 0.00 179.25 179.42 3a31 h ARG 65 N 1.06 0.00 -0.25 0.00 3.08 -0.84 -1.98 114.38 115.46 3a31 h ARG 65 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3a31 h ARG 65 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a31 h ARG 65 CO -0.18 0.20 0.00 0.54 -1.07 0.00 0.00 179.97 179.46 3a31 n ARG 66 N -3.42 1.90 -0.17 0.04 5.12 -0.68 -4.94 116.66 114.51 3a31 n ARG 66 Ca -0.00 -1.37 0.00 0.00 -1.93 0.00 0.00 57.85 54.55 3a31 n ARG 66 Cb 0.39 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 3a31 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a31 n GLY 67 N 1.20 0.91 3.83 -0.13 0.00 -0.74 -5.05 105.19 105.20 3a31 n GLY 67 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3a31 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a31 s TYR 68 N -2.01 3.65 -0.15 1.61 2.02 -0.56 -4.69 117.35 117.23 3a31 s TYR 68 Ca 0.00 1.16 -0.24 0.00 -0.37 0.00 0.00 57.07 57.62 3a31 s TYR 68 Cb 0.00 -2.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 3a31 s TYR 68 CO 0.00 0.44 0.75 0.71 -1.57 0.00 0.00 175.55 175.89 3a31 s TYR 69 N -1.40 3.45 0.07 2.71 2.02 0.47 -3.85 117.35 120.81 3a31 s TYR 69 Ca 0.37 1.17 -0.21 0.00 -0.37 0.00 0.00 57.07 58.03 3a31 s TYR 69 Cb -0.16 -2.91 -0.07 0.00 -0.40 0.00 0.00 41.96 38.42 3a31 s TYR 69 CO 0.19 -0.15 0.62 0.14 -1.57 0.00 0.00 175.55 174.79 3a31 s VAL 70 N 1.77 4.71 0.12 0.71 -7.23 -1.26 -0.52 120.40 118.70 3a31 s VAL 70 Ca 0.36 1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 61.84 3a31 s VAL 70 Cb -0.17 -3.96 -0.04 0.00 0.56 0.00 0.00 36.38 32.78 3a31 s VAL 70 CO 0.13 0.51 0.06 0.68 -0.31 0.00 0.00 175.10 176.17 3a31 s VAL 71 N -0.87 0.12 -0.07 1.32 -7.23 -0.43 -4.93 120.40 108.31 3a31 s VAL 71 Ca 0.31 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 3a31 s VAL 71 Cb -0.20 -1.91 0.02 0.00 0.56 0.00 0.00 36.38 34.85 3a31 s VAL 71 CO 0.20 -0.56 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.68 3a31 s GLU 72 N -4.01 0.99 0.22 4.82 2.12 -1.26 -4.45 118.70 117.13 3a31 s GLU 72 Ca 0.20 -0.11 0.09 0.00 0.36 0.00 0.00 54.97 55.51 3a31 s GLU 72 Cb 0.07 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.34 3a31 s GLU 72 CO -0.01 -0.16 -0.07 0.95 -0.54 0.00 0.00 175.26 175.43 3a31 s THR 73 N 1.33 3.23 0.93 -1.70 -4.23 -1.26 -5.10 115.64 108.83 3a31 s THR 73 Ca -0.04 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 3a31 s THR 73 Cb -0.14 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.17 3a31 s THR 73 CO -0.03 -0.24 1.00 -2.65 -0.54 0.00 0.00 174.62 172.16 3a31 n PRO 74 N -0.38 -0.45 -0.03 3.99 -0.02 -1.26 -4.96 135.00 131.89 3a31 n PRO 74 Ca -0.09 -0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.26 3a31 n PRO 74 Cb 0.57 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.64 3a31 n PRO 74 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3a31 n ILE 75 N -4.14 1.37 -4.01 4.25 5.41 -1.26 -4.88 119.36 116.09 3a31 n ILE 75 Ca 0.11 -0.78 -0.23 0.00 1.00 0.00 0.00 62.75 62.85 3a31 n ILE 75 Cb 0.52 -0.74 -0.06 0.00 -0.71 0.00 0.00 39.64 38.66 3a31 n ILE 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3a31 s ILE 76 N -2.68 3.07 -0.04 1.39 -4.36 -1.26 -0.33 121.20 116.98 3a31 s ILE 76 Ca -0.06 -1.61 -0.29 0.00 -0.26 0.00 0.00 60.65 58.42 3a31 s ILE 76 Cb 0.08 -3.02 0.09 0.00 1.25 0.00 0.00 42.46 40.85 3a31 s ILE 76 CO 0.83 -0.16 0.77 0.00 0.24 0.00 0.00 174.94 176.62 3a31 s ALA 77 N -2.41 -1.79 0.50 2.27 0.00 -0.27 -4.84 121.76 115.21 3a31 s ALA 77 Ca 0.39 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.36 3a31 s ALA 77 Cb -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 3a31 s ALA 77 CO 0.24 -0.44 1.22 0.45 0.00 0.00 0.00 175.76 177.22 3a31 n SER 78 N 0.57 2.15 0.09 0.00 2.88 -1.26 -0.62 113.62 117.41 3a31 n SER 78 Ca -0.15 1.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.48 3a31 n SER 78 Cb 0.59 -1.49 0.42 0.00 -0.75 0.00 0.00 64.21 62.98 3a31 n SER 78 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3a31 n THR 79 N -0.80 0.95 -0.23 2.46 -2.24 -0.68 -1.59 114.28 112.14 3a31 n THR 79 Ca 0.09 0.29 0.21 0.00 -2.27 0.00 0.00 64.05 62.37 3a31 n THR 79 Cb 0.43 -1.18 0.55 0.00 -2.10 0.00 0.00 70.33 68.03 3a31 n THR 79 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3a31 h GLU 80 N 0.00 0.32 -0.65 -0.78 4.39 -1.90 0.51 114.58 116.46 3a31 h GLU 80 Ca 0.00 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 3a31 h GLU 80 Cb 0.28 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3a31 h GLU 80 CO 0.00 0.21 0.07 1.25 -1.16 0.00 0.00 179.01 179.38 3a31 h LEU 81 N 0.33 1.07 0.00 1.33 5.85 -1.66 -1.29 115.31 120.93 3a31 h LEU 81 Ca 0.47 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3a31 h LEU 81 Cb 1.28 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3a31 h LEU 81 CO -0.15 1.08 -1.23 -0.26 -0.34 0.00 0.00 178.44 177.53 3a31 h PHE 82 N 1.03 0.00 -0.31 1.25 0.04 -1.10 -3.18 116.94 114.66 3a31 h PHE 82 Ca 0.19 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.02 3a31 h PHE 82 Cb 0.49 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.59 3a31 h PHE 82 CO 0.04 0.50 0.02 0.87 -0.60 0.00 0.00 178.31 179.13 3a31 h LYS 83 N 0.00 0.11 -0.54 1.51 1.57 0.00 -1.97 116.57 117.25 3a31 h LYS 83 Ca -0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3a31 h LYS 83 Cb 1.49 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.75 3a31 h LYS 83 CO 0.04 0.07 0.18 0.28 -0.57 0.00 0.00 179.45 179.46 3a31 h VAL 84 N 0.11 1.21 0.00 0.50 2.07 -1.30 -2.86 116.25 115.97 3a31 h VAL 84 Ca 0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3a31 h VAL 84 Cb 0.19 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3a31 h VAL 84 CO -0.24 0.26 -0.02 0.77 0.02 0.00 0.00 177.57 178.37 3a31 h SER 85 N 0.77 0.00 -5.00 0.57 4.64 -1.51 -3.44 113.55 109.59 3a31 h SER 85 Ca 0.18 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3a31 h SER 85 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3a31 h SER 85 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3a31 n GLY 86 N 1.22 1.94 0.00 -0.77 0.00 -0.75 -4.84 105.19 101.98 3a31 n GLY 86 Ca 0.05 -1.95 0.04 0.00 0.00 0.00 0.00 46.02 44.15 3a31 n GLY 86 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3a31 n HIS 87 N 1.73 0.00 -0.77 1.61 -0.00 -1.26 -4.66 115.22 111.87 3a31 n HIS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3a31 n HIS 87 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 3a31 n HIS 87 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3a31 n ILE 88 N -1.32 0.00 0.07 3.57 3.06 -1.26 -4.73 119.36 118.75 3a31 n ILE 88 Ca 0.01 -0.07 0.03 0.00 -2.50 0.00 0.00 62.75 60.22 3a31 n ILE 88 Cb 0.15 1.77 0.41 0.00 0.54 0.00 0.00 39.64 42.51 3a31 n ILE 88 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3a31 h GLU 89 N 0.00 0.37 0.10 9.51 4.39 -1.98 -2.13 114.58 124.84 3a31 h GLU 89 Ca 0.00 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3a31 h GLU 89 Cb 0.39 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3a31 h GLU 89 CO 0.00 0.37 -0.05 0.35 -1.16 0.00 0.00 179.01 178.52 3a31 h PHE 90 N 0.36 -0.12 -0.18 4.33 3.57 -1.98 -3.37 116.94 119.55 3a31 h PHE 90 Ca 0.09 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.64 3a31 h PHE 90 Cb 0.19 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3a31 h PHE 90 CO 0.00 -0.08 0.20 1.88 -2.23 0.00 0.00 178.31 178.08 3a31 h TYR 91 N -0.43 0.00 -1.19 0.41 0.05 -1.91 -1.52 116.97 112.38 3a31 h TYR 91 Ca -0.01 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.11 3a31 h TYR 91 Cb 0.10 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.75 3a31 h TYR 91 CO 0.03 0.00 0.79 -0.09 -1.05 0.00 0.00 178.16 177.85 3a31 h ARG 92 N 0.00 0.19 0.00 4.88 2.43 -1.55 -0.94 114.38 119.40 3a31 h ARG 92 Ca 0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3a31 h ARG 92 Cb 0.47 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3a31 h ARG 92 CO -0.00 0.13 0.00 -0.91 -1.51 0.00 0.00 179.97 177.68 3a31 h ASN 93 N 0.20 0.00 -2.36 -3.80 -0.26 -1.51 -3.45 115.58 104.41 3a31 h ASN 93 Ca 0.66 0.00 -0.80 0.00 -0.56 0.00 0.00 56.30 55.60 3a31 h ASN 93 Cb 2.06 0.00 -0.28 0.00 -1.06 0.00 0.00 38.32 39.04 3a31 h ASN 93 CO -0.24 0.00 0.89 0.59 -1.06 0.00 0.00 177.43 177.61 3a31 n ASN 94 N -2.40 7.02 -3.95 5.81 3.02 -0.36 -4.82 115.26 119.58 3a31 n ASN 94 Ca 0.04 -3.64 -0.29 0.00 -0.03 0.00 0.00 54.58 50.65 3a31 n ASN 94 Cb 0.34 -1.15 -0.16 0.00 -0.61 0.00 0.00 39.78 38.21 3a31 n ASN 94 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3a31 s TYR 96 N -4.02 2.03 0.19 3.10 2.02 -1.26 -1.02 117.35 118.39 3a31 s TYR 96 Ca 0.38 -1.29 0.06 0.00 -0.37 0.00 0.00 57.07 55.86 3a31 s TYR 96 Cb 0.17 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3a31 s TYR 96 CO -0.09 -0.67 0.10 -0.51 -1.57 0.00 0.00 175.55 172.82 3a31 s LEU 97 N 1.53 3.64 0.27 -1.29 1.43 -1.26 -1.66 118.68 121.35 3a31 s LEU 97 Ca 0.00 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3a31 s LEU 97 Cb -0.15 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3a31 s LEU 97 CO -0.08 0.05 0.69 0.72 0.23 0.00 0.00 176.35 177.96 3a31 s PHE 98 N -1.86 -0.15 -0.10 0.29 -0.12 0.73 -4.99 117.98 111.78 3a31 s PHE 98 Ca 0.30 -0.29 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 3a31 s PHE 98 Cb -0.09 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 3a31 s PHE 98 CO 0.22 -1.20 -0.02 0.34 -0.05 0.00 0.00 175.22 174.52 3a31 s ASP 99 N -2.92 5.04 -0.34 1.98 2.15 -1.26 -0.26 116.67 121.06 3a31 s ASP 99 Ca 0.12 0.05 -0.00 0.00 0.43 0.00 0.00 52.55 53.15 3a31 s ASP 99 Cb -0.05 -1.50 0.14 0.00 -0.30 0.00 0.00 42.92 41.21 3a31 s ASP 99 CO 0.06 0.32 0.21 -0.63 -0.17 0.00 0.00 175.17 174.97 3a31 s ILE 100 N -0.56 0.06 0.00 4.11 1.01 -0.50 -4.90 121.20 120.43 3a31 s ILE 100 Ca 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.24 3a31 s ILE 100 Cb -0.12 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3a31 s ILE 100 CO 0.02 -0.91 0.00 1.21 0.00 0.00 0.00 174.94 175.26 3a31 n GLU 101 N 4.25 0.00 0.00 2.79 2.13 -1.26 -0.46 120.64 128.09 3a31 n GLU 101 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3a31 n GLU 101 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.09 3a31 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a31 n GLY 102 N 0.00 2.48 3.77 8.31 0.00 -1.26 -5.03 105.19 113.45 3a31 n GLY 102 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3a31 n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a31 s HIS 103 N -1.09 3.60 0.03 1.61 3.76 0.39 -5.04 115.29 118.55 3a31 s HIS 103 Ca 0.00 0.92 -0.30 0.00 -0.15 0.00 0.00 55.06 55.52 3a31 s HIS 103 Cb 0.00 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.20 3a31 s HIS 103 CO 0.00 0.36 1.17 -2.00 -0.85 0.00 0.00 174.74 173.42 3a31 s GLU 104 N -0.06 4.43 0.20 1.40 2.12 -1.26 -1.41 118.70 124.13 3a31 s GLU 104 Ca 0.24 1.71 0.08 0.00 0.36 0.00 0.00 54.97 57.36 3a31 s GLU 104 Cb -0.16 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3a31 s GLU 104 CO 0.11 -0.27 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.35 3a31 s PHE 105 N 1.30 1.75 0.03 5.30 0.08 0.64 -1.68 117.98 125.40 3a31 s PHE 105 Ca 0.57 -0.54 0.05 0.00 0.12 0.00 0.00 56.93 57.13 3a31 s PHE 105 Cb -0.27 -0.82 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3a31 s PHE 105 CO 0.28 0.37 -0.14 0.00 -0.10 0.00 0.00 175.22 175.63 3a31 s ALA 106 N -2.78 1.16 -0.04 5.36 0.00 0.20 -0.20 121.76 125.47 3a31 s ALA 106 Ca 0.21 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 3a31 s ALA 106 Cb -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3a31 s ALA 106 CO 0.07 0.23 1.40 0.08 0.00 0.00 0.00 175.76 177.54 3a31 s VAL 107 N -0.75 3.81 -0.00 0.00 1.01 -0.66 -1.11 120.40 122.69 3a31 s VAL 107 Ca 0.02 1.14 -0.34 0.00 0.00 0.00 0.00 61.98 62.79 3a31 s VAL 107 Cb -0.07 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 3a31 s VAL 107 CO 0.01 -0.03 1.75 1.17 0.00 0.00 0.00 175.10 178.00 3a31 n LYS 108 N 5.79 2.08 -0.30 2.72 4.81 0.55 -4.51 118.16 129.30 3a31 n LYS 108 Ca 0.14 0.76 0.08 0.00 -0.87 0.00 0.00 58.31 58.42 3a31 n LYS 108 Cb 0.44 -2.56 0.24 0.00 0.02 0.00 0.00 35.03 33.17 3a31 n LYS 108 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3a31 n PRO 109 N 5.30 2.34 0.00 1.64 -0.04 -1.25 -1.38 135.00 141.61 3a31 n PRO 109 Ca 0.21 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 3a31 n PRO 109 Cb 0.28 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3a31 n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a31 n ASN 111 N 1.04 3.37 -0.36 3.54 5.03 -1.26 -4.54 115.26 122.07 3a31 n ASN 111 Ca 0.18 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.64 3a31 n ASN 111 Cb 0.48 0.46 0.07 0.00 -1.02 0.00 0.00 39.78 39.78 3a31 n ASN 111 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a31 h PRO 113 N 0.00 0.85 -0.09 0.00 0.11 -1.99 -0.91 132.00 129.97 3a31 h PRO 113 Ca 0.37 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.43 3a31 h PRO 113 Cb 0.62 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3a31 h PRO 113 CO -0.97 0.56 0.05 1.88 -0.21 0.00 0.00 178.00 179.31 3a31 h TYR 114 N 0.87 0.13 -0.72 0.65 0.99 -1.58 -0.58 116.97 116.72 3a31 h TYR 114 Ca 0.29 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.08 3a31 h TYR 114 Cb 0.02 -0.04 -0.05 0.00 1.00 0.00 0.00 36.73 37.67 3a31 h TYR 114 CO -0.04 0.15 0.48 0.45 -0.00 0.00 0.00 178.16 179.20 3a31 h HIS 115 N 0.06 0.75 -0.24 4.88 3.86 -1.13 -1.36 115.15 121.97 3a31 h HIS 115 Ca 0.03 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.08 3a31 h HIS 115 Cb 0.07 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.29 3a31 h HIS 115 CO -0.05 0.39 -0.59 0.82 0.86 0.00 0.00 177.93 179.37 3a31 h ILE 116 N 0.74 1.29 -0.95 2.45 2.04 -1.00 -2.12 117.51 119.96 3a31 h ILE 116 Ca 0.32 -1.79 0.14 0.00 1.00 0.00 0.00 64.86 64.53 3a31 h ILE 116 Cb 0.29 1.72 -0.08 0.00 -0.74 0.00 0.00 36.82 38.00 3a31 h ILE 116 CO -0.11 0.57 0.60 -0.07 0.00 0.00 0.00 178.15 179.15 3a31 h LEU 117 N 0.59 0.78 -0.18 1.44 3.38 -0.07 0.63 115.31 121.89 3a31 h LEU 117 Ca 0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3a31 h LEU 117 Cb 1.18 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3a31 h LEU 117 CO 0.12 0.39 -0.22 -0.07 0.09 0.00 0.00 178.44 178.75 3a31 h LEU 118 N 0.83 0.51 -0.45 1.67 3.38 -1.03 0.38 115.31 120.60 3a31 h LEU 118 Ca 0.49 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3a31 h LEU 118 Cb 0.65 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 3a31 h LEU 118 CO -0.25 0.91 -0.39 0.15 0.09 0.00 0.00 178.44 178.95 3a31 h PHE 119 N 0.13 -1.11 -0.73 1.13 3.57 -1.20 -2.13 116.94 116.60 3a31 h PHE 119 Ca 0.02 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3a31 h PHE 119 Cb 0.78 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 40.03 3a31 h PHE 119 CO 0.09 -0.42 0.48 -0.07 -2.23 0.00 0.00 178.31 176.16 3a31 h LEU 120 N -0.27 0.81 -0.69 0.59 3.38 -0.35 -0.58 115.31 118.21 3a31 h LEU 120 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3a31 h LEU 120 Cb 0.57 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3a31 h LEU 120 CO -0.59 0.58 0.25 -1.13 0.09 0.00 0.00 178.44 177.64 3a31 h ASN 121 N 0.96 0.98 -0.15 -0.43 -1.24 0.16 -1.53 115.58 114.33 3a31 h ASN 121 Ca 0.27 -0.19 -0.15 0.00 0.71 0.00 0.00 56.30 56.95 3a31 h ASN 121 Cb -0.07 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 3a31 h ASN 121 CO -0.06 0.90 -0.42 -0.33 -1.29 0.00 0.00 177.43 176.23 3a31 h GLU 122 N 1.00 0.69 -0.11 6.67 4.39 -0.83 -2.62 114.58 123.77 3a31 h GLU 122 Ca 0.23 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.56 3a31 h GLU 122 Cb 0.25 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3a31 h GLU 122 CO -0.01 0.98 0.07 0.28 -1.16 0.00 0.00 179.01 179.17 3a31 h VAL 123 N 0.56 1.03 -1.01 3.13 2.07 -0.91 -0.35 116.25 120.78 3a31 h VAL 123 Ca 0.04 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.64 3a31 h VAL 123 Cb 0.96 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3a31 h VAL 123 CO 0.09 0.03 0.63 0.00 0.02 0.00 0.00 177.57 178.34 3a31 h ALA 124 N 1.03 1.57 0.00 1.67 0.00 -1.17 0.48 119.26 122.85 3a31 h ALA 124 Ca 0.04 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.76 3a31 h ALA 124 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3a31 h ALA 124 CO -0.01 0.14 -1.34 0.87 0.00 0.00 0.00 179.25 178.91 3a31 h LYS 125 N 0.93 0.00 0.00 0.00 1.57 -1.16 -3.40 116.57 114.51 3a31 h LYS 125 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3a31 h LYS 125 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3a31 h LYS 125 CO -0.30 0.62 0.00 0.72 -0.57 0.00 0.00 179.45 179.92 3a31 n HIS 126 N -3.13 0.00 0.00 -1.35 8.25 -0.17 -5.09 115.22 113.73 3a31 n HIS 126 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3a31 n HIS 126 Cb 0.96 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.07 3a31 n HIS 126 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3a31 n ARG 127 N -0.20 0.00 0.00 -0.41 1.74 0.17 -1.45 116.66 116.51 3a31 n ARG 127 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3a31 n ARG 127 Cb 0.07 0.00 0.56 0.00 -1.02 0.00 0.00 32.46 32.07 3a31 n ARG 127 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3a31 n SER 128 N 1.20 0.00 0.25 0.55 3.41 -1.26 -2.38 113.62 115.39 3a31 n SER 128 Ca 0.00 -0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.53 3a31 n SER 128 Cb 0.00 -0.20 0.60 0.00 -0.26 0.00 0.00 64.21 64.35 3a31 n SER 128 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3a31 h LYS 129 N 0.00 0.00 -6.35 4.33 1.57 -1.63 -3.42 116.57 111.06 3a31 h LYS 129 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3a31 h LYS 129 Cb 0.14 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.47 3a31 h LYS 129 CO 0.00 0.15 1.23 -0.11 -0.57 0.00 0.00 179.45 180.16 3a31 n LEU 130 N -3.42 4.14 -4.76 2.94 7.94 -1.00 -4.98 117.00 117.86 3a31 n LEU 130 Ca -0.01 0.90 -0.34 0.00 -1.11 0.00 0.00 56.01 55.45 3a31 n LEU 130 Cb 0.34 -1.52 0.05 0.00 0.53 0.00 0.00 43.42 42.81 3a31 n LEU 130 CO 0.31 0.19 0.78 -2.84 -1.11 0.00 0.00 177.39 174.72 3a31 s PRO 131 N 4.47 2.79 -0.03 1.96 0.02 -1.26 -5.05 135.00 137.89 3a31 s PRO 131 Ca 0.89 1.62 0.04 0.00 0.02 0.00 0.00 61.00 63.57 3a31 s PRO 131 Cb -0.45 -1.93 -0.00 0.00 0.02 0.00 0.00 34.50 32.14 3a31 s PRO 131 CO 0.43 -1.30 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.14 3a31 s LEU 132 N -4.55 1.92 0.35 -5.54 1.43 -1.26 -3.71 118.68 107.31 3a31 s LEU 132 Ca 0.72 -0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 3a31 s LEU 132 Cb -0.25 -0.83 -0.11 0.00 0.03 0.00 0.00 46.19 45.03 3a31 s LEU 132 CO 0.38 0.14 1.40 -2.16 0.23 0.00 0.00 176.35 176.34 3a31 s PRO 133 N -0.04 4.22 -0.20 1.29 0.05 -1.26 -4.92 135.00 134.15 3a31 s PRO 133 Ca -0.01 2.41 -0.13 0.00 0.05 0.00 0.00 61.00 63.32 3a31 s PRO 133 Cb -0.09 -3.02 -0.05 0.00 0.05 0.00 0.00 34.50 31.39 3a31 s PRO 133 CO 0.01 -0.37 0.27 0.12 0.05 0.00 0.00 177.00 177.07 3a31 s PHE 134 N -1.11 3.38 -0.06 0.56 5.36 -0.65 -4.95 117.98 120.50 3a31 s PHE 134 Ca 0.51 0.45 -0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3a31 s PHE 134 Cb -0.43 -2.36 0.03 0.00 -0.34 0.00 0.00 43.02 39.92 3a31 s PHE 134 CO 0.58 0.11 0.01 0.15 -1.46 0.00 0.00 175.22 174.61 3a31 s LYS 135 N 0.92 0.45 -0.06 10.12 1.02 -1.26 -0.86 119.74 130.07 3a31 s LYS 135 Ca 0.13 0.16 0.04 0.00 0.02 0.00 0.00 55.97 56.33 3a31 s LYS 135 Cb -0.13 -0.85 -0.00 0.00 -0.52 0.00 0.00 37.83 36.32 3a31 s LYS 135 CO 0.05 -0.30 -0.19 0.54 -0.92 0.00 0.00 175.35 174.53 3a31 s VAL 136 N 1.96 1.61 -0.04 3.17 0.11 0.01 -0.40 120.40 126.83 3a31 s VAL 136 Ca 0.04 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.36 3a31 s VAL 136 Cb -0.12 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 3a31 s VAL 136 CO -0.05 0.46 -0.22 0.12 -3.33 0.00 0.00 175.10 172.08 3a31 s PHE 137 N 0.22 2.47 -0.01 1.54 5.36 0.32 -0.85 117.98 127.03 3a31 s PHE 137 Ca -0.10 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.46 3a31 s PHE 137 Cb -0.14 -1.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.98 3a31 s PHE 137 CO 0.04 -0.01 -0.00 -2.00 -1.46 0.00 0.00 175.22 171.79 3a31 s GLU 138 N -0.54 0.13 -1.06 10.12 2.12 0.52 -1.32 118.70 128.67 3a31 s GLU 138 Ca 0.07 0.03 -0.21 0.00 0.36 0.00 0.00 54.97 55.23 3a31 s GLU 138 Cb -0.11 -0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.12 3a31 s GLU 138 CO 0.00 -0.06 1.43 0.12 -0.54 0.00 0.00 175.26 176.22 3a31 s PHE 139 N 0.48 2.77 0.05 5.30 5.36 -1.26 -1.68 117.98 129.01 3a31 s PHE 139 Ca -0.04 -1.19 0.03 0.00 -0.96 0.00 0.00 56.93 54.77 3a31 s PHE 139 Cb -0.07 -4.59 -0.04 0.00 -0.34 0.00 0.00 43.02 37.98 3a31 s PHE 139 CO -0.01 -1.78 0.03 0.20 -1.46 0.00 0.00 175.22 172.20 3a31 s GLY 140 N 4.41 1.94 -0.24 13.12 0.00 -0.47 -4.90 107.32 121.18 3a31 s GLY 140 Ca 0.44 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 44.11 3a31 s GLY 140 CO -0.06 -0.96 -0.03 0.50 0.00 0.00 0.00 173.10 172.55 3a31 s ARG 141 N -2.06 3.08 0.08 2.90 0.52 -1.26 -1.76 118.95 120.45 3a31 s ARG 141 Ca 0.25 -0.82 0.09 0.00 -0.52 0.00 0.00 55.73 54.72 3a31 s ARG 141 Cb -0.12 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 3a31 s ARG 141 CO 0.17 -0.33 -0.23 0.14 0.02 0.00 0.00 175.30 175.06 3a31 s VAL 142 N 1.41 1.90 -0.02 3.52 -7.23 -0.44 -4.87 120.40 114.67 3a31 s VAL 142 Ca 0.03 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.78 3a31 s VAL 142 Cb -0.16 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 35.10 3a31 s VAL 142 CO -0.03 0.14 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.77 3a31 s HIS 143 N -0.96 1.28 0.02 2.82 3.76 -0.48 -1.33 115.29 120.40 3a31 s HIS 143 Ca 0.09 -0.30 -0.01 0.00 -0.15 0.00 0.00 55.06 54.69 3a31 s HIS 143 Cb -0.10 -0.86 -0.02 0.00 1.11 0.00 0.00 32.58 32.72 3a31 s HIS 143 CO 0.03 -0.08 0.00 1.03 -0.85 0.00 0.00 174.74 174.87 3a31 s ARG 144 N -0.07 0.36 0.04 1.40 0.52 -0.52 -3.85 118.95 116.83 3a31 s ARG 144 Ca 0.00 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.30 3a31 s ARG 144 Cb -0.08 0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.45 3a31 s ARG 144 CO 0.00 -0.07 1.69 -0.47 0.02 0.00 0.00 175.30 176.47 3a31 s TYR 145 N -1.61 2.20 -0.05 -0.53 5.04 -0.18 -4.58 117.35 117.63 3a31 s TYR 145 Ca -0.14 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.72 3a31 s TYR 145 Cb -0.08 -3.98 0.01 0.00 0.35 0.00 0.00 41.96 38.25 3a31 s TYR 145 CO -0.01 -4.05 -0.11 -1.21 -1.34 0.00 0.00 175.55 168.83 3a31 s GLU 146 N 3.16 1.36 0.61 4.97 0.41 -1.26 -4.90 118.70 123.05 3a31 s GLU 146 Ca 0.75 -0.36 -0.19 0.00 -0.41 0.00 0.00 54.97 54.77 3a31 s GLU 146 Cb -0.39 -1.19 -0.03 0.00 -1.78 0.00 0.00 34.13 30.75 3a31 s GLU 146 CO 0.33 0.07 1.24 -1.25 -0.49 0.00 0.00 175.26 175.15 3a31 s PRO 147 N 0.47 2.83 0.39 0.39 0.04 -1.26 -4.88 135.00 132.97 3a31 s PRO 147 Ca -0.09 1.91 0.16 0.00 0.04 0.00 0.00 61.00 63.02 3a31 s PRO 147 Cb -0.13 -1.90 1.02 0.00 0.04 0.00 0.00 34.50 33.53 3a31 s PRO 147 CO 0.02 -1.34 1.81 0.77 0.04 0.00 0.00 177.00 178.29 3a31 h SER 148 N 0.77 0.50 0.63 6.66 0.02 -1.99 0.14 113.55 120.28 3a31 h SER 148 Ca -0.51 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3a31 h SER 148 Cb 1.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3a31 h SER 148 CO 0.54 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 3a31 n GLY 149 N -1.46 -1.23 0.08 -3.77 0.00 -1.26 -3.44 105.19 94.11 3a31 n GLY 149 Ca 0.22 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3a31 n GLY 149 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a31 n SER 150 N -1.36 0.51 -4.72 1.61 7.64 0.48 -4.93 113.62 112.85 3a31 n SER 150 Ca 0.10 0.21 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 3a31 n SER 150 Cb 0.24 0.82 -0.03 0.00 -1.01 0.00 0.00 64.21 64.23 3a31 n SER 150 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3a31 s ILE 151 N -3.11 2.42 -0.14 0.44 1.01 -1.17 -4.78 121.20 115.87 3a31 s ILE 151 Ca -0.05 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 3a31 s ILE 151 Cb 0.10 -3.18 0.07 0.00 0.01 0.00 0.00 42.46 39.45 3a31 s ILE 151 CO 0.83 0.02 0.23 -0.47 0.00 0.00 0.00 174.94 175.55 3a31 s TYR 152 N 1.23 -0.32 0.00 3.97 5.04 -0.82 -4.99 117.35 121.45 3a31 s TYR 152 Ca 0.72 0.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 3a31 s TYR 152 Cb -0.46 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 41.67 3a31 s TYR 152 CO 0.32 -0.40 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 3a31 n GLY 153 N 5.34 1.96 0.63 8.97 0.00 -1.26 -1.11 105.19 119.71 3a31 n GLY 153 Ca -0.05 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3a31 n GLY 153 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a31 n LEU 154 N 0.00 2.28 0.07 0.99 4.77 -1.26 -4.61 117.00 119.24 3a31 n LEU 154 Ca 0.00 -0.95 -0.22 0.00 -0.03 0.00 0.00 56.01 54.81 3a31 n LEU 154 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 3a31 n LEU 154 CO 0.00 0.41 -0.53 -0.07 -1.33 0.00 0.00 177.39 175.86 3a31 h LEU 155 N 3.08 0.59 -7.52 2.23 3.38 -1.39 -3.08 115.31 112.59 3a31 h LEU 155 Ca 0.00 -0.89 -0.57 0.00 0.09 0.00 0.00 57.88 56.51 3a31 h LEU 155 Cb 0.69 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 40.87 3a31 h LEU 155 CO 0.00 1.75 -0.78 -0.60 0.09 0.00 0.00 178.44 178.90 3a31 s ARG 156 N -2.58 1.28 0.21 1.13 6.06 -0.86 -4.73 118.95 119.46 3a31 s ARG 156 Ca -0.15 -0.71 -0.00 0.00 -2.50 0.00 0.00 55.73 52.37 3a31 s ARG 156 Cb 0.06 -2.31 -0.04 0.00 0.06 0.00 0.00 34.95 32.71 3a31 s ARG 156 CO 0.85 -0.57 0.11 0.14 -2.50 0.00 0.00 175.30 173.33 3a31 s VAL 157 N 1.59 0.20 -0.17 7.11 -7.23 -1.26 -1.94 120.40 118.70 3a31 s VAL 157 Ca -0.03 -1.99 0.18 0.00 -1.81 0.00 0.00 61.98 58.33 3a31 s VAL 157 Cb -0.17 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3a31 s VAL 157 CO -0.07 -0.06 1.06 0.03 -0.31 0.00 0.00 175.10 175.76 3a31 h ARG 158 N 2.57 0.00 -3.71 4.82 3.08 -0.74 -3.45 114.38 116.95 3a31 h ARG 158 Ca -0.37 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.37 3a31 h ARG 158 Cb 1.24 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.96 3a31 h ARG 158 CO 0.56 0.28 -0.74 0.20 -1.07 0.00 0.00 179.97 179.20 3a31 s GLY 159 N -4.60 0.17 0.32 0.04 0.00 -1.25 -1.44 107.32 100.56 3a31 s GLY 159 Ca -0.00 0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.74 3a31 s GLY 159 CO 0.78 0.50 0.65 -0.11 0.00 0.00 0.00 173.10 174.92 3a31 s PHE 160 N 0.83 0.25 0.03 1.90 -0.12 -0.44 -4.71 117.98 115.72 3a31 s PHE 160 Ca -0.08 -0.72 0.08 0.00 -0.05 0.00 0.00 56.93 56.16 3a31 s PHE 160 Cb -0.11 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.75 3a31 s PHE 160 CO -0.02 -1.28 -0.24 0.99 -0.05 0.00 0.00 175.22 174.63 3a31 s THR 161 N -3.26 2.33 0.11 -4.49 2.01 -1.26 -1.32 115.64 109.76 3a31 s THR 161 Ca 0.18 -1.29 0.09 0.00 0.31 0.00 0.00 61.69 60.98 3a31 s THR 161 Cb -0.04 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3a31 s THR 161 CO 0.11 0.39 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.12 3a31 s GLN 162 N -1.21 1.18 -1.27 4.92 -0.21 -0.72 0.21 119.66 122.56 3a31 s GLN 162 Ca 0.12 -1.22 -0.09 0.00 0.02 0.00 0.00 55.36 54.19 3a31 s GLN 162 Cb -0.10 -1.46 0.17 0.00 1.00 0.00 0.00 33.01 32.62 3a31 s GLN 162 CO 0.02 0.34 1.88 -0.40 -2.12 0.00 0.00 175.29 175.02 3a31 n ASP 163 N 0.96 5.29 -4.81 5.90 5.75 -1.23 -1.37 116.55 127.04 3a31 n ASP 163 Ca -0.19 -3.13 -0.38 0.00 -0.01 0.00 0.00 54.79 51.09 3a31 n ASP 163 Cb 0.54 -1.46 -0.06 0.00 -1.03 0.00 0.00 41.12 39.11 3a31 n ASP 163 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3a31 s ASP 164 N 0.68 7.06 0.03 -1.12 2.15 -0.67 -3.93 116.67 120.87 3a31 s ASP 164 Ca 0.40 1.29 -0.08 0.00 0.43 0.00 0.00 52.55 54.59 3a31 s ASP 164 Cb 0.10 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3a31 s ASP 164 CO 0.01 0.22 0.17 0.00 -0.17 0.00 0.00 175.17 175.39 3a31 s ALA 165 N -1.21 -0.31 -0.01 3.66 0.00 -0.34 -0.36 121.76 123.19 3a31 s ALA 165 Ca 0.32 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3a31 s ALA 165 Cb -0.19 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3a31 s ALA 165 CO 0.20 -0.32 -0.16 -1.01 0.00 0.00 0.00 175.76 174.48 3a31 s HIS 166 N -2.27 1.43 -0.11 0.00 3.76 -0.03 -2.04 115.29 116.03 3a31 s HIS 166 Ca -0.08 -0.28 -0.00 0.00 -0.15 0.00 0.00 55.06 54.55 3a31 s HIS 166 Cb -0.03 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.76 3a31 s HIS 166 CO -0.02 -0.03 -0.07 0.42 -0.85 0.00 0.00 174.74 174.18 3a31 s ILE 167 N -0.34 0.99 -0.39 0.60 1.01 -0.56 -0.81 121.20 121.70 3a31 s ILE 167 Ca 0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.33 3a31 s ILE 167 Cb -0.06 -1.01 0.05 0.00 0.01 0.00 0.00 42.46 41.44 3a31 s ILE 167 CO -0.00 0.36 0.22 -0.63 0.00 0.00 0.00 174.94 174.89 3a31 s ILE 168 N 1.68 4.39 -0.08 2.92 1.01 -0.04 -1.23 121.20 129.86 3a31 s ILE 168 Ca 0.04 -1.09 0.03 0.00 0.00 0.00 0.00 60.65 59.63 3a31 s ILE 168 Cb -0.13 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3a31 s ILE 168 CO -0.08 -0.34 -0.16 0.54 0.00 0.00 0.00 174.94 174.90 3a31 s VAL 169 N 1.50 1.44 0.77 2.92 0.11 -0.07 -1.64 120.40 125.43 3a31 s VAL 169 Ca 0.02 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 58.31 3a31 s VAL 169 Cb -0.21 -1.28 0.05 0.00 -1.53 0.00 0.00 36.38 33.41 3a31 s VAL 169 CO 0.05 0.42 1.09 -2.84 -3.33 0.00 0.00 175.10 170.49 3a31 s PRO 170 N 0.56 2.30 0.33 1.54 0.02 -1.26 0.44 135.00 138.93 3a31 s PRO 170 Ca -0.16 1.13 0.09 0.00 0.02 0.00 0.00 61.00 62.08 3a31 s PRO 170 Cb -0.17 -1.90 0.84 0.00 0.02 0.00 0.00 34.50 33.29 3a31 s PRO 170 CO 0.05 -1.60 1.77 0.78 -0.33 0.00 0.00 177.00 177.68 3a31 h GLY 171 N -1.10 1.65 2.00 0.52 0.00 -0.75 -1.95 103.07 103.44 3a31 h GLY 171 Ca -0.44 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3a31 h GLY 171 CO 0.52 -0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.57 3a31 n GLY 172 N -1.36 -1.20 0.01 4.60 0.00 -1.26 -3.09 105.19 102.88 3a31 n GLY 172 Ca 0.24 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3a31 n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a31 n ARG 173 N -2.03 -0.89 -0.12 1.61 5.12 -0.76 -4.84 116.66 114.75 3a31 n ARG 173 Ca 0.03 -0.54 -0.10 0.00 -1.93 0.00 0.00 57.85 55.31 3a31 n ARG 173 Cb 0.22 -1.01 -0.02 0.00 -1.16 0.00 0.00 32.46 30.49 3a31 n ARG 173 CO 0.00 0.00 0.00 -0.24 -1.93 0.00 0.00 177.63 175.46 3a31 h VAL 174 N 0.06 1.24 -0.56 1.55 3.04 -1.44 -2.07 116.25 118.08 3a31 h VAL 174 Ca 0.00 -0.87 0.11 0.00 -1.01 0.00 0.00 66.70 64.93 3a31 h VAL 174 Cb 0.02 1.11 -0.09 0.00 -2.01 0.00 0.00 31.29 30.32 3a31 h VAL 174 CO 0.00 0.29 0.01 0.40 -1.01 0.00 0.00 177.57 177.27 3a31 h ILE 175 N 0.44 0.56 -0.71 3.17 2.04 -1.86 -1.55 117.51 119.60 3a31 h ILE 175 Ca 0.11 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3a31 h ILE 175 Cb 0.38 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3a31 h ILE 175 CO 0.01 0.02 0.30 0.44 0.00 0.00 0.00 178.15 178.93 3a31 h ASP 176 N 0.13 0.96 -0.33 1.72 3.32 -1.85 -0.79 116.42 119.58 3a31 h ASP 176 Ca 0.29 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3a31 h ASP 176 Cb 0.45 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3a31 h ASP 176 CO -0.46 0.85 0.15 0.58 -1.72 0.00 0.00 179.24 178.65 3a31 h VAL 177 N 1.00 1.17 -0.30 -1.35 2.07 -0.94 0.23 116.25 118.13 3a31 h VAL 177 Ca 0.24 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3a31 h VAL 177 Cb 0.18 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3a31 h VAL 177 CO -0.02 0.17 0.11 0.58 0.02 0.00 0.00 177.57 178.43 3a31 h VAL 178 N 0.40 0.94 -0.63 2.57 2.07 -1.03 -1.35 116.25 119.22 3a31 h VAL 178 Ca 0.11 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3a31 h VAL 178 Cb 0.13 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3a31 h VAL 178 CO -0.01 0.05 0.28 0.22 0.02 0.00 0.00 177.57 178.12 3a31 h TYR 179 N 0.25 0.94 -0.91 1.57 3.20 -0.87 -2.50 116.97 118.64 3a31 h TYR 179 Ca 0.13 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.99 3a31 h TYR 179 Cb 0.09 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 3a31 h TYR 179 CO -0.13 0.72 0.60 -0.44 -1.64 0.00 0.00 178.16 177.27 3a31 h ASP 180 N 0.87 0.96 -0.65 -2.11 3.32 -0.01 -1.85 116.42 116.95 3a31 h ASP 180 Ca 0.21 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3a31 h ASP 180 Cb 0.16 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3a31 h ASP 180 CO -0.02 0.64 0.20 0.58 -1.72 0.00 0.00 179.24 178.92 3a31 h VAL 181 N 1.10 1.25 -0.76 -1.35 2.07 -0.84 0.22 116.25 117.95 3a31 h VAL 181 Ca 0.37 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3a31 h VAL 181 Cb 0.08 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 3a31 h VAL 181 CO -0.12 0.33 0.42 0.15 0.02 0.00 0.00 177.57 178.37 3a31 h PHE 182 N 0.95 0.77 -0.26 1.57 3.57 -1.05 -1.50 116.94 120.98 3a31 h PHE 182 Ca 0.21 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3a31 h PHE 182 Cb 0.30 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3a31 h PHE 182 CO 0.02 0.33 -0.25 0.93 -2.23 0.00 0.00 178.31 177.11 3a31 h GLU 183 N 0.73 0.51 -0.63 1.11 4.39 -0.39 -0.92 114.58 119.38 3a31 h GLU 183 Ca 0.36 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3a31 h GLU 183 Cb 0.30 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3a31 h GLU 183 CO -0.23 0.72 0.00 0.39 -1.16 0.00 0.00 179.01 178.73 3a31 n GLU 184 N -4.12 0.07 0.00 2.33 1.02 0.63 -1.14 120.64 119.43 3a31 n GLU 184 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3a31 n GLU 184 Cb 0.41 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3a31 n GLU 184 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3a31 n LYS 186 N 0.61 0.00 -0.17 3.49 4.81 -0.35 -1.57 118.16 124.99 3a31 n LYS 186 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 3a31 n LYS 186 Cb 0.02 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.15 3a31 n LYS 186 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3a31 h LEU 187 N 0.00 0.21 -0.48 3.14 3.38 -1.40 -1.50 115.31 118.65 3a31 h LEU 187 Ca 0.00 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3a31 h LEU 187 Cb 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3a31 h LEU 187 CO 0.00 0.14 0.09 0.58 0.09 0.00 0.00 178.44 179.34 3a31 h VAL 188 N 0.38 1.25 -0.38 1.22 2.07 -1.56 -1.13 116.25 118.10 3a31 h VAL 188 Ca 0.25 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3a31 h VAL 188 Cb 0.27 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3a31 h VAL 188 CO -0.25 0.32 0.21 -0.07 0.02 0.00 0.00 177.57 177.80 3a31 h LEU 189 N 0.67 0.48 0.07 2.57 3.38 -1.78 -0.48 115.31 120.22 3a31 h LEU 189 Ca 0.15 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 3a31 h LEU 189 Cb 0.37 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3a31 h LEU 189 CO 0.01 0.43 -1.20 -0.33 0.09 0.00 0.00 178.44 177.43 3a31 h GLU 190 N 0.49 0.57 0.02 1.13 5.08 -1.24 0.73 114.58 121.37 3a31 h GLU 190 Ca 0.14 -0.74 -0.37 0.00 -1.00 0.00 0.00 59.36 57.39 3a31 h GLU 190 Cb 0.05 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 3a31 h GLU 190 CO -0.02 1.33 -2.27 0.54 -1.00 0.00 0.00 179.01 177.59 3a31 n ARG 191 N -3.76 0.68 -0.02 2.33 1.74 -0.43 -2.44 116.66 114.76 3a31 n ARG 191 Ca -0.12 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.90 3a31 n ARG 191 Cb 0.97 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 30.68 3a31 n ARG 191 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3a31 h LEU 192 N 0.01 0.28 -0.56 0.55 5.85 -1.22 -3.36 115.31 116.85 3a31 h LEU 192 Ca -0.51 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.41 3a31 h LEU 192 Cb 2.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.97 3a31 h LEU 192 CO -0.00 1.55 -0.67 0.49 -0.34 0.00 0.00 178.44 179.47 3a31 n PHE 193 N -4.06 0.00 -3.43 1.25 3.72 -1.02 -4.74 117.46 109.18 3a31 n PHE 193 Ca -0.25 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.90 3a31 n PHE 193 Cb 0.83 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.42 3a31 n PHE 193 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3a31 n LYS 194 N -0.66 -6.05 -3.82 -1.08 4.76 -0.47 -4.85 118.16 105.99 3a31 n LYS 194 Ca 0.07 0.79 -0.36 0.00 -2.87 0.00 0.00 58.31 55.93 3a31 n LYS 194 Cb 0.39 -5.72 -0.12 0.00 -1.84 0.00 0.00 35.03 27.75 3a31 n LYS 194 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3a31 s LEU 195 N -7.02 3.59 0.23 -0.35 1.43 0.13 -4.88 118.68 111.81 3a31 s LEU 195 Ca 0.48 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 3a31 s LEU 195 Cb -0.22 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 3a31 s LEU 195 CO 0.60 0.02 1.29 -0.83 0.23 0.00 0.00 176.35 177.66 3a31 s GLY 196 N 1.30 2.61 -0.27 -3.19 0.00 -1.26 -3.50 107.32 103.02 3a31 s GLY 196 Ca 0.05 1.12 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 3a31 s GLY 196 CO 0.04 1.99 -0.04 0.14 0.00 0.00 0.00 173.10 175.23 3a31 s VAL 197 N -0.24 2.87 0.18 1.40 1.01 -1.26 -4.84 120.40 119.51 3a31 s VAL 197 Ca 0.54 -1.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3a31 s VAL 197 Cb -0.37 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3a31 s VAL 197 CO 0.41 0.07 0.34 -1.54 0.00 0.00 0.00 175.10 174.38 3a31 n SER 198 N 4.63 -1.00 0.28 3.32 3.41 -1.26 -4.99 113.62 118.01 3a31 n SER 198 Ca -0.15 -1.72 0.13 0.00 -0.26 0.00 0.00 58.87 56.86 3a31 n SER 198 Cb 0.45 1.68 0.82 0.00 -0.26 0.00 0.00 64.21 66.90 3a31 n SER 198 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a31 h SER 199 N 0.89 0.00 1.18 4.04 4.64 -1.83 -0.85 113.55 121.61 3a31 h SER 199 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3a31 h SER 199 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3a31 h SER 199 CO 0.19 0.00 -0.66 -0.33 -0.87 0.00 0.00 176.83 175.16 3a31 h GLU 200 N 0.00 0.00 0.00 4.77 4.39 -1.92 -3.39 114.58 118.43 3a31 h GLU 200 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3a31 h GLU 200 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3a31 h GLU 200 CO -0.00 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.10 3a31 n THR 201 N -2.59 0.00 -3.97 1.13 -2.24 -0.68 -4.97 114.28 100.96 3a31 n THR 201 Ca 0.02 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 3a31 n THR 201 Cb 0.51 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.71 3a31 n THR 201 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3a31 s PHE 202 N -0.30 0.23 -0.03 4.78 5.36 -0.41 -4.77 117.98 122.83 3a31 s PHE 202 Ca 0.00 -0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 55.48 3a31 s PHE 202 Cb 0.00 -0.17 0.01 0.00 -0.34 0.00 0.00 43.02 42.52 3a31 s PHE 202 CO 0.00 -0.16 0.12 0.21 -1.46 0.00 0.00 175.22 173.93 3a31 s LYS 203 N -1.23 0.23 -0.15 10.12 2.20 0.18 -4.10 119.74 127.00 3a31 s LYS 203 Ca -0.13 0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3a31 s LYS 203 Cb -0.08 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.33 3a31 s LYS 203 CO -0.01 -0.04 -0.14 0.08 -0.36 0.00 0.00 175.35 174.88 3a31 s VAL 204 N -0.33 2.88 -0.23 4.02 1.01 -1.03 -1.22 120.40 125.50 3a31 s VAL 204 Ca -0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 3a31 s VAL 204 Cb -0.03 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3a31 s VAL 204 CO 0.00 0.51 -0.03 -0.60 0.00 0.00 0.00 175.10 174.98 3a31 s ARG 205 N 0.63 3.32 -0.18 2.72 3.52 -0.34 -1.12 118.95 127.50 3a31 s ARG 205 Ca -0.08 -0.66 -0.16 0.00 -0.13 0.00 0.00 55.73 54.70 3a31 s ARG 205 Cb -0.16 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3a31 s ARG 205 CO 0.03 -0.23 0.39 -0.51 -0.81 0.00 0.00 175.30 174.16 3a31 s LEU 206 N 1.47 4.20 -0.03 -0.88 1.43 0.14 -0.71 118.68 124.30 3a31 s LEU 206 Ca 0.05 0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 3a31 s LEU 206 Cb -0.15 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 3a31 s LEU 206 CO -0.03 -0.02 -0.08 -0.44 0.23 0.00 0.00 176.35 176.01 3a31 s SER 207 N 0.84 4.55 0.54 2.29 0.01 -0.13 -0.40 113.70 121.40 3a31 s SER 207 Ca 0.20 -0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 3a31 s SER 207 Cb -0.14 -1.08 0.02 0.00 0.21 0.00 0.00 66.02 65.02 3a31 s SER 207 CO 0.07 0.32 0.79 -0.94 0.41 0.00 0.00 173.24 173.89 3a31 s SER 209 N -1.10 5.51 -0.41 2.44 1.04 -1.26 -1.65 113.70 118.26 3a31 s SER 209 Ca 0.15 0.31 -0.16 0.00 0.48 0.00 0.00 55.95 56.73 3a31 s SER 209 Cb -0.11 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.69 3a31 s SER 209 CO 0.04 -1.01 0.35 -0.62 0.98 0.00 0.00 173.24 172.98 3a31 s ASP 210 N -4.33 6.14 0.44 7.02 -1.08 -1.26 -2.14 116.67 121.46 3a31 s ASP 210 Ca 0.53 -0.78 0.27 0.00 -0.52 0.00 0.00 52.55 52.06 3a31 s ASP 210 Cb -0.10 -2.18 1.33 0.00 -1.46 0.00 0.00 42.92 40.51 3a31 s ASP 210 CO 0.40 -0.48 1.71 0.11 0.52 0.00 0.00 175.17 177.43 3a31 h LYS 211 N 8.65 0.18 0.00 4.34 1.57 -2.01 0.11 116.57 129.41 3a31 h LYS 211 Ca -0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3a31 h LYS 211 Cb 1.12 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3a31 h LYS 211 CO 0.75 0.12 0.00 0.43 -0.57 0.00 0.00 179.45 180.18 3a31 n SER 212 N -4.55 0.48 0.00 0.86 7.64 -1.26 -2.96 113.62 113.83 3a31 n SER 212 Ca 0.31 0.68 0.00 0.00 1.01 0.00 0.00 58.87 60.87 3a31 n SER 212 Cb 1.22 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 3a31 n SER 212 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3a31 n LEU 213 N -2.10 1.90 -4.71 -3.43 4.77 0.36 -4.95 117.00 108.84 3a31 n LEU 213 Ca 0.00 -1.90 -0.42 0.00 -0.03 0.00 0.00 56.01 53.66 3a31 n LEU 213 Cb 0.10 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3a31 n LEU 213 CO 0.12 0.48 1.15 -0.63 -1.33 0.00 0.00 177.39 177.18 3a31 s ILE 214 N -0.90 3.16 0.00 -0.08 1.01 -1.15 -1.33 121.20 121.90 3a31 s ILE 214 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.42 3a31 s ILE 214 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 3a31 s ILE 214 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3a31 n GLY 215 N 3.66 3.17 0.00 6.18 0.00 0.28 -4.93 105.19 113.55 3a31 n GLY 215 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3a31 n GLY 215 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a31 n LYS 216 N -1.47 0.00 0.26 1.61 4.81 -0.44 -4.92 118.16 118.02 3a31 n LYS 216 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3a31 n LYS 216 Cb 0.00 0.00 0.62 0.00 0.02 0.00 0.00 35.03 35.67 3a31 n LYS 216 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 3a31 h GLU 217 N 0.00 0.00 -5.83 1.64 9.09 -1.76 -3.50 114.58 114.23 3a31 h GLU 217 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.82 3a31 h GLU 217 Cb 0.00 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.03 3a31 h GLU 217 CO 0.00 0.05 -0.37 -0.06 0.05 0.00 0.00 179.01 178.69 3a31 s PHE 218 N -3.67 1.87 0.04 2.06 0.08 -0.94 -4.47 117.98 112.95 3a31 s PHE 218 Ca 0.01 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.26 3a31 s PHE 218 Cb 0.09 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.65 3a31 s PHE 218 CO 0.57 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 3a31 n GLY 220 N -1.60 -1.76 3.92 4.36 0.00 -1.26 -0.56 105.19 108.30 3a31 n GLY 220 Ca -0.04 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 3a31 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a31 s SER 221 N -4.04 5.92 0.23 1.61 1.04 -1.26 -3.92 113.70 113.28 3a31 s SER 221 Ca 0.00 -0.14 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 3a31 s SER 221 Cb 0.00 -1.50 0.35 0.00 0.10 0.00 0.00 66.02 64.97 3a31 s SER 221 CO 0.00 -0.18 1.78 0.11 0.98 0.00 0.00 173.24 175.93 3a31 h LYS 222 N 1.19 0.59 -0.06 4.02 1.57 -1.99 -2.75 116.57 119.15 3a31 h LYS 222 Ca -0.49 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3a31 h LYS 222 Cb 1.24 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3a31 h LYS 222 CO 0.59 0.39 -0.09 0.93 -0.57 0.00 0.00 179.45 180.70 3a31 h GLU 223 N 0.61 -0.13 -0.49 3.15 3.07 -1.99 -0.76 114.58 118.04 3a31 h GLU 223 Ca 0.36 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.28 3a31 h GLU 223 Cb 0.38 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.25 3a31 h GLU 223 CO -0.27 -0.08 -0.43 0.93 -1.40 0.00 0.00 179.01 177.75 3a31 h GLU 224 N -0.13 -0.17 -0.77 2.33 5.08 -1.95 -0.18 114.58 118.79 3a31 h GLU 224 Ca 0.06 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3a31 h GLU 224 Cb 0.21 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3a31 h GLU 224 CO -0.14 -0.11 0.51 -1.49 -1.00 0.00 0.00 179.01 176.78 3a31 h TRP 225 N -0.17 0.97 -0.23 4.33 4.06 -1.21 -0.86 115.95 122.84 3a31 h TRP 225 Ca 0.08 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.92 3a31 h TRP 225 Cb 0.39 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 3a31 h TRP 225 CO -0.83 0.62 -0.38 0.93 -3.56 0.00 0.00 178.44 175.22 3a31 h GLU 226 N 1.05 0.67 -0.25 0.49 5.08 -1.00 0.25 114.58 120.86 3a31 h GLU 226 Ca 0.28 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3a31 h GLU 226 Cb -0.12 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 3a31 h GLU 226 CO -0.06 1.02 -0.05 0.78 -1.00 0.00 0.00 179.01 179.70 3a31 h GLY 227 N 0.37 0.19 0.80 -3.84 0.00 -0.73 -1.08 103.07 98.78 3a31 h GLY 227 Ca 0.02 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3a31 h GLY 227 CO 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 176.54 176.50 3a31 h ALA 228 N 1.24 0.26 -0.75 3.60 0.00 -1.06 -1.95 119.26 120.60 3a31 h ALA 228 Ca 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3a31 h ALA 228 Cb 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3a31 h ALA 228 CO -0.25 0.02 0.42 0.93 0.00 0.00 0.00 179.25 180.37 3a31 h GLU 229 N 0.08 1.05 -0.72 0.00 5.08 -0.50 -0.28 114.58 119.29 3a31 h GLU 229 Ca 0.05 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3a31 h GLU 229 Cb 0.47 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3a31 h GLU 229 CO 0.02 0.77 0.24 0.93 -1.00 0.00 0.00 179.01 179.97 3a31 h GLU 230 N 1.04 1.10 -0.37 2.33 4.39 -1.24 -0.14 114.58 121.69 3a31 h GLU 230 Ca 0.27 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.77 3a31 h GLU 230 Cb 0.03 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 3a31 h GLU 230 CO -0.04 0.93 0.17 0.00 -1.16 0.00 0.00 179.01 178.91 3a31 h ALA 231 N 1.11 0.45 -0.29 3.43 0.00 -0.71 0.12 119.26 123.37 3a31 h ALA 231 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3a31 h ALA 231 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3a31 h ALA 231 CO -0.01 -0.20 -0.00 -0.07 0.00 0.00 0.00 179.25 178.96 3a31 h LEU 232 N 0.35 0.41 -0.16 0.00 3.38 -0.68 -1.71 115.31 116.91 3a31 h LEU 232 Ca 0.16 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 3a31 h LEU 232 Cb 0.09 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3a31 h LEU 232 CO -0.12 0.48 -0.78 0.03 0.09 0.00 0.00 178.44 178.13 3a31 h ARG 233 N 0.43 0.80 -0.20 1.13 3.08 -0.29 -1.74 114.38 117.58 3a31 h ARG 233 Ca 0.10 -0.66 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 3a31 h ARG 233 Cb 0.29 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3a31 h ARG 233 CO 0.01 1.26 0.05 0.93 -1.07 0.00 0.00 179.97 181.15 3a31 h GLU 234 N 0.55 0.32 -0.80 0.04 4.39 -0.59 0.44 114.58 118.93 3a31 h GLU 234 Ca -0.05 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.60 3a31 h GLU 234 Cb 1.41 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.97 3a31 h GLU 234 CO 0.16 0.45 0.51 0.00 -1.16 0.00 0.00 179.01 178.97 3a31 h ALA 235 N 0.86 1.06 -0.17 3.43 0.00 -1.37 -0.62 119.26 122.45 3a31 h ALA 235 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3a31 h ALA 235 Cb 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a31 h ALA 235 CO 0.00 0.33 -0.40 0.00 0.00 0.00 0.00 179.25 179.18 3a31 h ALA 236 N 1.34 1.00 -0.27 0.00 0.00 -1.19 -0.35 119.26 119.78 3a31 h ALA 236 Ca 0.32 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3a31 h ALA 236 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a31 h ALA 236 CO -0.12 0.61 -0.33 1.03 0.00 0.00 0.00 179.25 180.45 3a31 h SER 237 N 0.33 0.60 -0.36 0.00 0.87 -0.12 0.38 113.55 115.24 3a31 h SER 237 Ca 0.03 -0.24 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 3a31 h SER 237 Cb 0.85 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 3a31 h SER 237 CO 0.07 0.89 -0.37 0.03 -0.53 0.00 0.00 176.83 176.92 3a31 h ARG 238 N 0.49 0.89 0.06 2.24 3.08 -0.29 -1.83 114.38 119.02 3a31 h ARG 238 Ca 0.06 -0.47 0.02 0.00 0.07 0.00 0.00 59.98 59.65 3a31 h ARG 238 Cb 0.80 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3a31 h ARG 238 CO 0.07 1.12 -0.17 0.82 -1.07 0.00 0.00 179.97 180.74 3a31 h ILE 239 N 0.69 0.60 -0.88 2.04 2.04 -0.92 -0.55 117.51 120.53 3a31 h ILE 239 Ca 0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 3a31 h ILE 239 Cb 0.96 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3a31 h ILE 239 CO 0.09 0.00 0.53 -1.13 0.00 0.00 0.00 178.15 177.65 3a31 h ASN 240 N -0.31 1.06 -0.47 1.72 -0.73 -0.86 -0.95 115.58 115.04 3a31 h ASN 240 Ca 0.04 -0.06 -0.12 0.00 1.87 0.00 0.00 56.30 58.02 3a31 h ASN 240 Cb 0.35 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3a31 h ASN 240 CO -0.12 0.81 -0.18 -0.08 -0.37 0.00 0.00 177.43 177.49 3a31 h GLU 241 N 1.22 0.98 0.03 6.67 4.81 -1.04 0.63 114.58 127.87 3a31 h GLU 241 Ca 0.32 -0.40 -0.21 0.00 -0.13 0.00 0.00 59.36 58.94 3a31 h GLU 241 Cb -0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3a31 h GLU 241 CO -0.06 1.07 -0.98 -0.22 -0.73 0.00 0.00 179.01 178.09 3a31 h LYS 242 N 0.85 0.10 0.00 1.92 3.64 -0.69 -3.39 116.57 119.01 3a31 h LYS 242 Ca 0.12 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3a31 h LYS 242 Cb 0.75 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3a31 h LYS 242 CO 0.06 1.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.90 3a31 n TYR 243 N -3.51 0.00 -1.32 1.91 4.01 -0.40 -4.99 117.16 112.87 3a31 n TYR 243 Ca -0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.60 3a31 n TYR 243 Cb 0.89 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.88 3a31 n TYR 243 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a31 n GLY 244 N 0.37 1.17 3.73 2.72 0.00 0.22 -3.85 105.19 109.54 3a31 n GLY 244 Ca 0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3a31 n GLY 244 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a31 s ILE 245 N -2.23 3.06 0.24 -0.61 1.01 -1.25 -4.67 121.20 116.75 3a31 s ILE 245 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 60.65 61.29 3a31 s ILE 245 Cb 0.00 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 3a31 s ILE 245 CO 0.00 0.09 0.71 1.51 0.00 0.00 0.00 174.94 177.25 3a31 s ASP 246 N 0.75 6.95 -0.13 3.58 3.84 -1.26 -4.31 116.67 126.10 3a31 s ASP 246 Ca 0.62 1.35 -0.02 0.00 -0.00 0.00 0.00 52.55 54.50 3a31 s ASP 246 Cb -0.39 -2.39 -0.02 0.00 -1.38 0.00 0.00 42.92 38.74 3a31 s ASP 246 CO 0.35 -0.03 -0.07 -0.63 -0.00 0.00 0.00 175.17 174.79 3a31 s ILE 247 N -1.65 3.64 -0.07 2.11 -1.09 -1.26 -2.46 121.20 120.41 3a31 s ILE 247 Ca 0.46 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.45 3a31 s ILE 247 Cb -0.15 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 3a31 s ILE 247 CO 0.20 0.53 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.58 3a31 s VAL 248 N 0.08 2.81 -0.12 2.92 1.01 -0.28 -4.99 120.40 121.82 3a31 s VAL 248 Ca -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3a31 s VAL 248 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3a31 s VAL 248 CO 0.03 0.57 -0.13 -0.70 0.00 0.00 0.00 175.10 174.87 3a31 s GLU 249 N -0.34 2.12 -0.28 2.72 2.12 -1.26 0.26 118.70 124.04 3a31 s GLU 249 Ca 0.03 -0.50 -0.04 0.00 0.36 0.00 0.00 54.97 54.81 3a31 s GLU 249 Cb -0.13 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.38 3a31 s GLU 249 CO 0.02 -0.17 0.02 -0.51 -0.54 0.00 0.00 175.26 174.08 3a31 s LEU 250 N 1.30 3.63 0.23 2.70 1.43 0.47 -4.98 118.68 123.46 3a31 s LEU 250 Ca -0.00 -0.88 -0.31 0.00 -1.03 0.00 0.00 54.13 51.92 3a31 s LEU 250 Cb -0.14 -1.77 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 3a31 s LEU 250 CO -0.06 -0.18 1.57 -0.70 0.23 0.00 0.00 176.35 177.20 3a31 s GLU 251 N 1.39 4.19 0.00 1.70 2.12 -1.26 -3.43 118.70 123.41 3a31 s GLU 251 Ca 0.00 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.78 3a31 s GLU 251 Cb -0.17 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3a31 s GLU 251 CO -0.01 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 3a31 n GLY 252 N 2.95 0.50 0.62 -1.50 0.00 -0.91 -4.87 105.19 101.99 3a31 n GLY 252 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3a31 n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a31 n GLU 253 N -2.26 1.78 -1.24 1.61 -0.58 -1.22 -4.74 120.64 114.00 3a31 n GLU 253 Ca 0.00 -1.25 -0.33 0.00 -0.42 0.00 0.00 57.16 55.16 3a31 n GLU 253 Cb 0.07 -1.47 0.11 0.00 -0.57 0.00 0.00 31.44 29.57 3a31 n GLU 253 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a31 s ALA 254 N -2.08 1.98 0.98 0.62 0.00 -1.25 -4.88 121.76 117.13 3a31 s ALA 254 Ca 0.32 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 3a31 s ALA 254 Cb 0.20 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 20.06 3a31 s ALA 254 CO 0.36 -2.07 1.09 0.00 0.00 0.00 0.00 175.76 175.14 3a31 s ALA 255 N -2.28 0.95 0.51 0.00 0.00 -1.15 -4.91 121.76 114.88 3a31 s ALA 255 Ca 0.71 0.20 0.41 0.00 0.00 0.00 0.00 51.96 53.27 3a31 s ALA 255 Cb -0.26 -3.32 2.10 0.00 0.00 0.00 0.00 23.12 21.65 3a31 s ALA 255 CO 0.49 -2.93 2.26 0.27 0.00 0.00 0.00 175.76 175.86 3a31 h PHE 256 N -1.97 0.00 -0.16 0.00 -5.15 -1.95 -2.87 116.94 104.83 3a31 h PHE 256 Ca -0.50 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.27 3a31 h PHE 256 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 3a31 h PHE 256 CO 0.42 0.01 0.00 2.48 -2.00 0.00 0.00 178.31 179.21 3a31 n TYR 257 N -3.13 0.19 0.00 6.09 0.18 -1.26 -4.48 117.16 114.75 3a31 n TYR 257 Ca -0.02 -0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.63 3a31 n TYR 257 Cb 0.14 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.10 3a31 n TYR 257 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3a31 n GLY 258 N 0.99 2.33 3.87 -7.48 0.00 -1.08 0.66 105.19 104.47 3a31 n GLY 258 Ca 0.12 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 3a31 n GLY 258 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a31 s PRO 259 N -2.00 1.78 0.18 1.61 0.04 -1.26 -2.95 135.00 132.40 3a31 s PRO 259 Ca 0.00 0.18 -0.14 0.00 0.04 0.00 0.00 61.00 61.08 3a31 s PRO 259 Cb 0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.63 3a31 s PRO 259 CO 0.00 -1.74 0.42 -1.59 0.04 0.00 0.00 177.00 174.14 3a31 s LYS 260 N -5.49 1.28 -0.03 4.56 -2.85 -0.66 -1.93 119.74 114.63 3a31 s LYS 260 Ca 0.62 -0.99 0.05 0.00 -1.00 0.00 0.00 55.97 54.65 3a31 s LYS 260 Cb -0.12 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 3a31 s LYS 260 CO 0.50 -0.52 -0.17 -1.17 0.10 0.00 0.00 175.35 174.10 3a31 s LEU 261 N -2.91 1.97 -0.00 2.77 0.20 0.37 -0.96 118.68 120.12 3a31 s LEU 261 Ca 0.12 -0.32 0.07 0.00 0.69 0.00 0.00 54.13 54.69 3a31 s LEU 261 Cb 0.01 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 3a31 s LEU 261 CO -0.02 0.18 -0.23 -1.81 -0.29 0.00 0.00 176.35 174.18 3a31 s ASP 262 N -0.19 3.32 -0.22 3.68 1.01 0.11 -0.67 116.67 123.72 3a31 s ASP 262 Ca 0.02 -0.45 -0.17 0.00 0.71 0.00 0.00 52.55 52.67 3a31 s ASP 262 Cb -0.09 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.36 3a31 s ASP 262 CO 0.01 0.30 0.44 -0.36 0.21 0.00 0.00 175.17 175.77 3a31 s PHE 263 N -0.71 3.34 0.40 4.23 0.08 -1.00 -1.20 117.98 123.13 3a31 s PHE 263 Ca 0.11 0.63 0.04 0.00 0.12 0.00 0.00 56.93 57.84 3a31 s PHE 263 Cb -0.10 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.73 3a31 s PHE 263 CO 0.01 -0.10 0.15 0.42 -0.10 0.00 0.00 175.22 175.60 3a31 s ILE 264 N 1.62 0.48 0.00 0.64 1.01 -0.35 -4.45 121.20 120.15 3a31 s ILE 264 Ca 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.85 3a31 s ILE 264 Cb -0.15 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.98 3a31 s ILE 264 CO 0.09 0.00 0.00 1.33 0.00 0.00 0.00 174.94 176.36 3a31 n VAL 267 N -0.89 0.00 -4.05 2.92 0.24 -0.60 -0.64 118.33 115.30 3a31 n VAL 267 Ca -0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.10 3a31 n VAL 267 Cb 0.64 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.86 3a31 n VAL 267 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3a31 s GLU 268 N -2.00 0.36 0.00 7.34 2.12 -1.25 -0.48 118.70 124.79 3a31 s GLU 268 Ca 0.00 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3a31 s GLU 268 Cb 0.00 -0.40 0.00 0.00 0.26 0.00 0.00 34.13 33.99 3a31 s GLU 268 CO 0.00 0.01 0.00 0.39 -0.54 0.00 0.00 175.26 175.12 3a31 n GLU 269 N 3.38 0.00 0.00 4.30 1.02 0.28 -4.81 120.64 124.80 3a31 n GLU 269 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3a31 n GLU 269 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 3a31 n GLU 269 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a31 n SER 270 N 0.00 0.00 -3.64 1.62 2.88 -1.26 -4.69 113.62 108.53 3a31 n SER 270 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3a31 n SER 270 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3a31 n SER 270 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a31 n GLY 271 N -0.07 4.70 3.69 0.46 0.00 -1.26 -5.09 105.19 107.62 3a31 n GLY 271 Ca 0.00 -2.72 -0.35 0.00 0.00 0.00 0.00 46.02 42.95 3a31 n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a31 s VAL 272 N -2.29 4.95 -0.11 1.61 1.01 -1.26 -5.09 120.40 119.22 3a31 s VAL 272 Ca 0.35 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 3a31 s VAL 272 Cb 0.09 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3a31 s VAL 272 CO -0.03 0.50 0.79 -0.55 0.00 0.00 0.00 175.10 175.81 3a31 s SER 273 N 0.02 7.01 0.06 3.32 0.15 -1.26 -0.56 113.70 122.44 3a31 s SER 273 Ca 0.07 1.22 0.01 0.00 0.70 0.00 0.00 55.95 57.95 3a31 s SER 273 Cb -0.12 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 3a31 s SER 273 CO 0.01 -0.26 -0.06 -0.54 1.20 0.00 0.00 173.24 173.59 3a31 s LYS 274 N 1.43 0.65 0.04 5.44 1.02 0.37 -4.99 119.74 123.70 3a31 s LYS 274 Ca 0.39 -1.09 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 3a31 s LYS 274 Cb -0.18 -0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 36.99 3a31 s LYS 274 CO 0.17 -0.03 0.35 -1.21 -0.92 0.00 0.00 175.35 173.71 3a31 s GLU 275 N -3.07 3.72 -0.34 1.68 2.02 -1.26 -1.56 118.70 119.89 3a31 s GLU 275 Ca 0.03 0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.17 3a31 s GLU 275 Cb 0.01 -3.06 0.10 0.00 0.10 0.00 0.00 34.13 31.28 3a31 s GLU 275 CO -0.04 0.62 0.09 -0.46 0.02 0.00 0.00 175.26 175.48 3a31 s TRP 276 N -1.30 2.82 0.50 1.61 -0.00 -1.26 -4.94 118.94 116.38 3a31 s TRP 276 Ca 0.29 -2.47 -0.18 0.00 -0.00 0.00 0.00 56.10 53.74 3a31 s TRP 276 Cb -0.14 -2.38 -0.08 0.00 -0.00 0.00 0.00 33.47 30.87 3a31 s TRP 276 CO 0.16 -0.90 1.00 -1.14 -0.00 0.00 0.00 176.95 176.07 3a31 s GLN 277 N 1.12 3.86 0.00 5.86 0.74 -1.26 -4.48 119.66 125.49 3a31 s GLN 277 Ca 0.11 1.14 0.00 0.00 0.05 0.00 0.00 55.36 56.66 3a31 s GLN 277 Cb -0.19 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 31.81 3a31 s GLN 277 CO -0.14 -0.36 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 3a31 n GLY 279 N -0.93 -3.53 3.34 2.59 0.00 0.19 -5.01 105.19 101.84 3a31 n GLY 279 Ca 0.08 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 3a31 n GLY 279 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a31 s THR 280 N -0.83 0.05 -0.26 2.61 2.01 -0.74 -2.37 115.64 116.11 3a31 s THR 280 Ca 0.00 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.59 3a31 s THR 280 Cb 0.00 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.59 3a31 s THR 280 CO 0.00 -0.23 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.00 3a31 s ILE 281 N -2.67 1.85 -0.32 1.82 1.01 0.16 -2.39 121.20 120.66 3a31 s ILE 281 Ca -0.04 -1.51 -0.04 0.00 0.00 0.00 0.00 60.65 59.06 3a31 s ILE 281 Cb -0.00 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.43 3a31 s ILE 281 CO -0.04 -0.14 0.05 -1.58 0.00 0.00 0.00 174.94 173.23 3a31 s GLN 282 N 1.23 2.53 0.51 2.79 2.00 0.15 -0.48 119.66 128.40 3a31 s GLN 282 Ca -0.05 -1.22 -0.20 0.00 -2.00 0.00 0.00 55.36 51.89 3a31 s GLN 282 Cb -0.19 -3.31 -0.07 0.00 0.80 0.00 0.00 33.01 30.24 3a31 s GLN 282 CO -0.06 -0.64 1.11 -0.06 -0.50 0.00 0.00 175.29 175.14 3a31 s PHE 283 N 1.33 2.80 -0.07 1.67 0.08 -0.81 -0.46 117.98 122.51 3a31 s PHE 283 Ca -0.04 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.55 3a31 s PHE 283 Cb -0.20 -3.25 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 3a31 s PHE 283 CO 0.01 -1.36 0.01 0.34 -0.10 0.00 0.00 175.22 174.12 3a31 s ASP 284 N -1.74 1.56 -0.00 1.36 -1.08 -0.63 -3.66 116.67 112.48 3a31 s ASP 284 Ca 0.69 -0.08 0.21 0.00 -0.52 0.00 0.00 52.55 52.85 3a31 s ASP 284 Cb -0.23 -0.40 -0.23 0.00 -1.46 0.00 0.00 42.92 40.60 3a31 s ASP 284 CO 0.27 -0.20 0.88 0.49 0.52 0.00 0.00 175.17 177.13 3a31 n PHE 285 N 5.17 0.00 -0.07 -5.34 3.72 0.21 -4.32 117.46 116.82 3a31 n PHE 285 Ca -0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.21 3a31 n PHE 285 Cb 0.50 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.91 3a31 n PHE 285 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3a31 h ASN 286 N 0.00 0.00 -0.41 4.37 -1.24 -1.95 -3.36 115.58 112.99 3a31 h ASN 286 Ca 0.00 -0.87 0.03 0.00 0.71 0.00 0.00 56.30 56.17 3a31 h ASN 286 Cb 0.51 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 3a31 h ASN 286 CO 0.00 0.96 0.22 -0.07 -1.29 0.00 0.00 177.43 177.25 3a31 h LEU 287 N -1.00 0.33 -2.35 0.34 3.38 -1.88 0.16 115.31 114.28 3a31 h LEU 287 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3a31 h LEU 287 Cb 0.90 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3a31 h LEU 287 CO -0.01 0.24 -0.04 1.55 0.09 0.00 0.00 178.44 180.28 3a31 h PRO 288 N 0.44 0.00 0.00 1.13 0.13 -1.78 -0.58 132.00 131.35 3a31 h PRO 288 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3a31 h PRO 288 Cb 0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.19 3a31 h PRO 288 CO -0.11 0.04 -0.01 0.00 -0.23 0.00 0.00 178.00 177.69 3a31 h ARG 289 N 0.00 0.00 -0.29 0.86 3.08 -1.51 0.64 114.38 117.16 3a31 h ARG 289 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3a31 h ARG 289 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3a31 h ARG 289 CO 0.00 0.95 -0.09 0.00 -1.07 0.00 0.00 179.97 179.77 3a31 h ARG 290 N -0.94 0.47 -0.54 0.04 2.47 -0.29 -2.71 114.38 112.89 3a31 h ARG 290 Ca -0.00 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3a31 h ARG 290 Cb 0.95 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 3a31 h ARG 290 CO 0.00 0.56 0.00 1.19 0.56 0.00 0.00 179.97 182.28 3a31 n PHE 291 N -4.24 1.21 -3.89 3.04 3.72 -0.26 -4.90 117.46 112.15 3a31 n PHE 291 Ca 0.01 -0.63 -0.27 0.00 -0.05 0.00 0.00 57.45 56.50 3a31 n PHE 291 Cb 0.29 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 3a31 n PHE 291 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3a31 n ARG 292 N 0.78 -4.73 0.06 -1.08 1.74 -1.02 -4.89 116.66 107.52 3a31 n ARG 292 Ca 0.23 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.72 3a31 n ARG 292 Cb 0.80 -5.20 -0.04 0.00 -1.02 0.00 0.00 32.46 27.00 3a31 n ARG 292 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3a31 h LEU 293 N -1.92 0.58 -0.44 0.55 3.38 0.05 -1.94 115.31 115.57 3a31 h LEU 293 Ca -0.60 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 56.97 3a31 h LEU 293 Cb 1.37 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3a31 h LEU 293 CO 0.64 1.24 0.20 1.88 0.09 0.00 0.00 178.44 182.49 3a31 h TYR 294 N 0.27 0.37 0.48 1.13 0.05 -1.85 0.64 116.97 118.05 3a31 h TYR 294 Ca -0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3a31 h TYR 294 Cb 1.54 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 39.16 3a31 h TYR 294 CO 0.06 0.18 -0.39 -0.44 -1.05 0.00 0.00 178.16 176.52 3a31 h ASP 295 N 0.41 -1.02 -0.74 3.88 3.32 -1.83 -2.05 116.42 118.38 3a31 h ASP 295 Ca 0.19 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.40 3a31 h ASP 295 Cb 0.12 0.33 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 3a31 h ASP 295 CO -0.15 -0.56 0.41 0.58 -1.72 0.00 0.00 179.24 177.80 3a31 h VAL 296 N -0.86 0.93 -0.04 -1.35 2.07 -1.02 0.23 116.25 116.21 3a31 h VAL 296 Ca -0.05 -0.25 -0.17 0.00 0.82 0.00 0.00 66.70 67.05 3a31 h VAL 296 Cb 0.74 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3a31 h VAL 296 CO -0.01 0.13 -0.72 0.58 0.02 0.00 0.00 177.57 177.57 3a31 h VAL 297 N 0.73 1.43 0.30 2.57 2.07 -0.85 -0.30 116.25 122.19 3a31 h VAL 297 Ca 0.35 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.61 3a31 h VAL 297 Cb 0.28 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3a31 h VAL 297 CO -0.22 0.66 -0.14 -0.09 0.02 0.00 0.00 177.57 177.79 3a31 h ARG 298 N 0.16 -0.39 -0.33 1.57 2.43 -0.81 -1.43 114.38 115.58 3a31 h ARG 298 Ca -0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3a31 h ARG 298 Cb 1.28 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.90 3a31 h ARG 298 CO 0.11 -0.05 0.21 0.93 -1.51 0.00 0.00 179.97 179.66 3a31 h GLU 299 N -0.88 0.44 0.00 0.20 5.08 -0.58 0.31 114.58 119.14 3a31 h GLU 299 Ca -0.04 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.02 3a31 h GLU 299 Cb 0.52 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3a31 h GLU 299 CO 0.07 0.30 -1.50 0.93 -1.00 0.00 0.00 179.01 177.81 3a31 h GLU 300 N 0.44 0.01 -0.00 2.33 4.39 -1.18 -3.39 114.58 117.17 3a31 h GLU 300 Ca 0.12 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3a31 h GLU 300 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3a31 h GLU 300 CO -0.03 0.66 -0.18 1.19 -1.16 0.00 0.00 179.01 179.49 3a31 n PHE 301 N -3.14 0.00 -2.95 4.33 3.72 -0.61 -4.34 117.46 114.47 3a31 n PHE 301 Ca -0.12 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.10 3a31 n PHE 301 Cb 1.02 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.59 3a31 n PHE 301 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a31 n GLY 302 N 0.92 -0.28 3.33 1.37 0.00 0.10 -4.97 105.19 105.66 3a31 n GLY 302 Ca 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 3a31 n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a31 s ILE 303 N -3.08 2.81 -0.23 -0.61 1.01 -0.79 -4.94 121.20 115.36 3a31 s ILE 303 Ca 0.28 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3a31 s ILE 303 Cb -0.12 -2.16 -0.18 0.00 0.01 0.00 0.00 42.46 40.01 3a31 s ILE 303 CO 0.35 0.53 -0.15 1.21 0.00 0.00 0.00 174.94 176.88 3a31 n GLU 304 N 3.52 0.67 -3.38 2.79 4.07 -1.26 -3.13 120.64 123.92 3a31 n GLU 304 Ca -0.18 0.11 -0.45 0.00 -0.06 0.00 0.00 57.16 56.58 3a31 n GLU 304 Cb 0.53 -1.49 -0.07 0.00 -0.06 0.00 0.00 31.44 30.34 3a31 n GLU 304 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3a31 s GLU 305 N -2.49 2.97 0.06 5.31 2.12 -1.26 -5.04 118.70 120.38 3a31 s GLU 305 Ca -0.28 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 53.67 3a31 s GLU 305 Cb 0.08 -4.15 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 3a31 s GLU 305 CO 0.62 -1.07 -0.09 0.54 -0.54 0.00 0.00 175.26 174.72 3a31 s VAL 306 N 1.63 0.71 0.10 3.70 0.11 -1.26 0.02 120.40 125.40 3a31 s VAL 306 Ca 0.04 -1.30 0.09 0.00 -2.93 0.00 0.00 61.98 57.88 3a31 s VAL 306 Cb -0.25 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 3a31 s VAL 306 CO 0.06 -0.44 -0.22 -0.31 -3.33 0.00 0.00 175.10 170.86 3a31 s TYR 307 N -1.77 1.91 -0.10 1.54 2.02 0.17 -4.88 117.35 116.24 3a31 s TYR 307 Ca -0.04 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3a31 s TYR 307 Cb -0.07 -1.06 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3a31 s TYR 307 CO 0.00 0.21 -0.12 0.42 -1.57 0.00 0.00 175.55 174.50 3a31 s ILE 308 N -1.08 3.20 -0.01 2.71 1.09 -1.26 -0.89 121.20 124.96 3a31 s ILE 308 Ca 0.08 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 59.00 3a31 s ILE 308 Cb -0.10 -2.31 0.01 0.00 -1.06 0.00 0.00 42.46 39.00 3a31 s ILE 308 CO 0.04 0.55 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.80 3a31 s ILE 309 N -0.16 0.15 -0.15 2.92 1.01 -0.36 -1.60 121.20 123.00 3a31 s ILE 309 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 3a31 s ILE 309 Cb -0.13 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3a31 s ILE 309 CO 0.03 0.09 0.13 -1.00 0.00 0.00 0.00 174.94 174.20 3a31 s HIS 310 N 0.50 3.51 -0.04 3.97 3.76 0.39 -1.50 115.29 125.88 3a31 s HIS 310 Ca -0.05 0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 55.23 3a31 s HIS 310 Cb -0.07 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3a31 s HIS 310 CO -0.01 0.55 0.18 -0.98 -0.85 0.00 0.00 174.74 173.64 3a31 s ARG 311 N -0.47 0.34 0.04 1.40 1.04 -0.87 -0.67 118.95 119.77 3a31 s ARG 311 Ca 0.12 0.02 0.04 0.00 -1.04 0.00 0.00 55.73 54.87 3a31 s ARG 311 Cb -0.12 0.15 -0.02 0.00 -2.04 0.00 0.00 34.95 32.93 3a31 s ARG 311 CO 0.02 -0.07 -0.11 0.00 -0.04 0.00 0.00 175.30 175.10 3a31 s ALA 312 N -0.49 0.92 -0.15 7.88 0.00 -1.00 -1.20 121.76 127.73 3a31 s ALA 312 Ca -0.06 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 3a31 s ALA 312 Cb -0.04 -0.11 -0.07 0.00 0.00 0.00 0.00 23.12 22.90 3a31 s ALA 312 CO 0.01 0.15 -0.04 -0.07 0.00 0.00 0.00 175.76 175.81 3a31 h LEU 313 N 4.95 0.00 0.06 0.00 3.38 -1.87 -1.97 115.31 119.87 3a31 h LEU 313 Ca -0.36 -0.14 -0.25 0.00 0.09 0.00 0.00 57.88 57.22 3a31 h LEU 313 Cb 1.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.96 3a31 h LEU 313 CO 0.44 0.87 -1.00 -0.07 0.09 0.00 0.00 178.44 178.76 3a31 h LEU 314 N -1.00 0.77 0.00 1.67 3.38 -1.96 0.56 115.31 118.73 3a31 h LEU 314 Ca -0.07 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.10 3a31 h LEU 314 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3a31 h LEU 314 CO -0.04 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.58 3a31 n GLY 315 N 1.26 0.89 3.70 0.83 0.00 -1.26 -3.55 105.19 107.06 3a31 n GLY 315 Ca -0.12 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 3a31 n GLY 315 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a31 s SER 316 N -4.00 6.77 0.11 1.61 0.15 -1.26 -3.53 113.70 113.55 3a31 s SER 316 Ca 0.00 2.28 -0.14 0.00 0.70 0.00 0.00 55.95 58.79 3a31 s SER 316 Cb 0.00 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 3a31 s SER 316 CO 0.00 -0.75 1.47 0.40 1.20 0.00 0.00 173.24 175.56 3a31 h ILE 317 N 4.70 1.29 -0.62 6.45 2.04 -0.55 -1.10 117.51 129.71 3a31 h ILE 317 Ca -0.40 -1.32 0.08 0.00 1.00 0.00 0.00 64.86 64.22 3a31 h ILE 317 Cb 1.19 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 38.61 3a31 h ILE 317 CO 0.90 0.43 0.27 -0.33 0.00 0.00 0.00 178.15 179.42 3a31 h GLU 318 N 0.50 0.47 0.04 2.37 3.07 -1.85 0.96 114.58 120.15 3a31 h GLU 318 Ca 0.07 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3a31 h GLU 318 Cb 0.74 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3a31 h GLU 318 CO 0.05 0.31 -0.02 -0.09 -1.40 0.00 0.00 179.01 177.87 3a31 h ARG 319 N 0.49 -0.05 -0.49 2.33 2.43 -1.42 -0.04 114.38 117.62 3a31 h ARG 319 Ca 0.31 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.57 3a31 h ARG 319 Cb 0.33 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3a31 h ARG 319 CO -0.27 0.25 0.05 0.35 -1.51 0.00 0.00 179.97 178.85 3a31 h PHE 320 N -0.35 0.07 -0.79 2.20 3.57 -1.12 -1.11 116.94 119.41 3a31 h PHE 320 Ca -0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3a31 h PHE 320 Cb 0.32 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3a31 h PHE 320 CO 0.03 -0.06 0.38 1.25 -2.23 0.00 0.00 178.31 177.68 3a31 h LEU 321 N 0.17 1.03 0.14 0.59 5.85 -0.58 -0.53 115.31 121.98 3a31 h LEU 321 Ca 0.25 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3a31 h LEU 321 Cb 0.36 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3a31 h LEU 321 CO -0.37 0.88 -0.14 1.23 -0.34 0.00 0.00 178.44 179.70 3a31 h GLY 322 N 1.11 -0.29 1.12 3.75 0.00 -0.16 0.13 103.07 108.74 3a31 h GLY 322 Ca 0.27 0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.73 3a31 h GLY 322 CO -0.03 -0.14 0.37 -2.08 0.00 0.00 0.00 176.54 174.65 3a31 h VAL 323 N -0.31 1.25 -0.27 4.60 2.07 -1.08 -2.50 116.25 120.01 3a31 h VAL 323 Ca 0.00 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3a31 h VAL 323 Cb 0.30 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3a31 h VAL 323 CO -0.04 0.30 0.15 0.22 0.02 0.00 0.00 177.57 178.22 3a31 h TYR 324 N 1.12 0.28 -0.99 1.57 3.20 -0.71 0.16 116.97 121.60 3a31 h TYR 324 Ca 0.27 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.23 3a31 h TYR 324 Cb 0.12 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 3a31 h TYR 324 CO 0.01 0.16 0.64 -0.07 -1.64 0.00 0.00 178.16 177.26 3a31 h LEU 325 N 0.31 0.99 0.01 2.82 3.38 -0.42 0.04 115.31 122.45 3a31 h LEU 325 Ca 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3a31 h LEU 325 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3a31 h LEU 325 CO -0.06 0.61 -0.01 -0.33 0.09 0.00 0.00 178.44 178.74 3a31 h GLU 326 N 1.11 -0.02 -0.14 1.13 5.08 -0.92 0.16 114.58 120.97 3a31 h GLU 326 Ca 0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 3a31 h GLU 326 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3a31 h GLU 326 CO -0.19 0.57 0.02 1.25 -1.00 0.00 0.00 179.01 179.66 3a31 h HIS 327 N -0.62 0.19 -0.39 4.33 2.76 -0.48 -2.33 115.15 118.61 3a31 h HIS 327 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3a31 h HIS 327 Cb 0.60 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.49 3a31 h HIS 327 CO 0.13 0.20 0.00 0.54 -1.30 0.00 0.00 177.93 177.50 3a31 n ARG 328 N -4.43 2.42 -3.74 5.26 5.12 -0.02 -4.98 116.66 116.29 3a31 n ARG 328 Ca -0.01 -2.11 -0.23 0.00 -1.93 0.00 0.00 57.85 53.57 3a31 n ARG 328 Cb 0.14 -1.38 0.03 0.00 -1.16 0.00 0.00 32.46 30.10 3a31 n ARG 328 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3a31 n ARG 329 N 0.99 -5.23 -0.95 5.56 1.74 0.32 -1.56 116.66 117.54 3a31 n ARG 329 Ca 0.15 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.86 3a31 n ARG 329 Cb 0.49 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 3a31 n ARG 329 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a31 n GLY 330 N -1.60 0.95 3.96 -0.13 0.00 0.11 -5.04 105.19 103.44 3a31 n GLY 330 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 3a31 n GLY 330 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a31 s ARG 331 N -0.05 2.75 0.07 1.61 1.81 -0.60 -4.95 118.95 119.59 3a31 s ARG 331 Ca 0.00 -0.64 -0.01 0.00 -1.72 0.00 0.00 55.73 53.36 3a31 s ARG 331 Cb 0.00 -2.50 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 3a31 s ARG 331 CO 0.00 -0.55 0.24 -1.25 -0.68 0.00 0.00 175.30 173.06 3a31 s PRO 333 N -4.69 3.47 0.26 3.54 0.04 -1.26 -4.89 135.00 131.47 3a31 s PRO 333 Ca 0.54 -0.37 -0.07 0.00 0.04 0.00 0.00 61.00 61.14 3a31 s PRO 333 Cb -0.10 -3.01 0.45 0.00 0.04 0.00 0.00 34.50 31.88 3a31 s PRO 333 CO 0.38 0.59 1.59 0.35 0.04 0.00 0.00 177.00 179.96 3a31 h PHE 334 N 3.08 -0.29 -0.56 0.56 3.57 -1.92 0.28 116.94 121.67 3a31 h PHE 334 Ca -0.45 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.17 3a31 h PHE 334 Cb 1.16 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 3a31 h PHE 334 CO 0.61 -0.35 0.37 1.15 -2.23 0.00 0.00 178.31 177.87 3a31 h THR 335 N 0.03 1.00 -0.64 4.41 2.02 -1.94 -2.57 112.91 115.22 3a31 h THR 335 Ca 0.44 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3a31 h THR 335 Cb 0.75 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 3a31 h THR 335 CO -0.84 0.10 0.00 0.18 0.37 0.00 0.00 175.52 175.33 3a31 n LEU 336 N -4.47 3.73 -4.70 2.58 4.77 0.02 -4.96 117.00 113.97 3a31 n LEU 336 Ca 0.08 -2.01 -0.42 0.00 -0.03 0.00 0.00 56.01 53.63 3a31 n LEU 336 Cb 0.23 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3a31 n LEU 336 CO 0.34 0.92 0.64 0.00 -1.33 0.00 0.00 177.39 177.97 3a31 s ALA 337 N -1.03 3.30 0.22 -1.18 0.00 -0.81 -4.82 121.76 117.45 3a31 s ALA 337 Ca 0.43 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 3a31 s ALA 337 Cb 0.22 -3.27 0.27 0.00 0.00 0.00 0.00 23.12 20.34 3a31 s ALA 337 CO 0.29 -0.35 1.62 -1.35 0.00 0.00 0.00 175.76 175.97 3a31 h PRO 338 N 6.94 0.01 -5.00 0.00 0.11 -1.90 -3.36 132.00 128.80 3a31 h PRO 338 Ca -0.37 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.09 3a31 h PRO 338 Cb 1.19 -0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.04 3a31 h PRO 338 CO 0.79 0.01 -0.68 0.42 -0.21 0.00 0.00 178.00 178.32 3a31 s ILE 339 N -6.22 3.76 -0.20 4.15 1.01 -1.26 -4.82 121.20 117.61 3a31 s ILE 339 Ca -0.14 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 3a31 s ILE 339 Cb 0.20 -2.73 -0.20 0.00 0.01 0.00 0.00 42.46 39.74 3a31 s ILE 339 CO 0.74 0.40 0.24 1.56 0.00 0.00 0.00 174.94 177.88 3a31 h GLN 340 N 8.05 0.03 -5.14 2.79 4.20 -0.44 -1.83 115.11 122.77 3a31 h GLN 340 Ca -0.40 -0.06 -0.66 0.00 0.06 0.00 0.00 58.65 57.60 3a31 h GLN 340 Cb 1.17 0.02 -0.34 0.00 0.30 0.00 0.00 27.48 28.63 3a31 h GLN 340 CO 0.60 1.03 -0.87 -0.06 -0.67 0.00 0.00 178.83 178.86 3a31 s PHE 341 N -2.38 2.56 -0.27 2.96 0.08 -0.63 -1.25 117.98 119.05 3a31 s PHE 341 Ca -0.28 -1.27 -0.10 0.00 0.12 0.00 0.00 56.93 55.40 3a31 s PHE 341 Cb 0.06 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 3a31 s PHE 341 CO 0.62 -0.58 0.16 0.00 -0.10 0.00 0.00 175.22 175.31 3a31 s ALA 342 N 0.81 3.46 -0.34 5.36 0.00 0.49 -1.76 121.76 129.79 3a31 s ALA 342 Ca -0.08 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 3a31 s ALA 342 Cb -0.16 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 3a31 s ALA 342 CO -0.01 -0.50 0.19 0.08 0.00 0.00 0.00 175.76 175.52 3a31 s VAL 343 N 1.66 4.82 -0.33 0.00 1.01 0.58 0.04 120.40 128.19 3a31 s VAL 343 Ca 0.07 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3a31 s VAL 343 Cb -0.16 -3.52 0.07 0.00 0.00 0.00 0.00 36.38 32.77 3a31 s VAL 343 CO 0.09 -0.03 0.06 -0.63 0.00 0.00 0.00 175.10 174.59 3a31 s ILE 344 N 1.64 3.03 -0.33 2.22 1.01 0.54 -0.44 121.20 128.87 3a31 s ILE 344 Ca 0.05 -1.61 -0.24 0.00 0.00 0.00 0.00 60.65 58.85 3a31 s ILE 344 Cb -0.18 -2.86 0.01 0.00 0.01 0.00 0.00 42.46 39.44 3a31 s ILE 344 CO 0.08 -0.28 0.80 0.00 0.00 0.00 0.00 174.94 175.53 3a31 s ALA 345 N 1.21 3.48 -0.93 9.38 0.00 -0.41 -0.23 121.76 134.26 3a31 s ALA 345 Ca -0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 3a31 s ALA 345 Cb -0.20 -3.35 0.21 0.00 0.00 0.00 0.00 23.12 19.78 3a31 s ALA 345 CO -0.02 -1.34 0.94 0.08 0.00 0.00 0.00 175.76 175.42 3a31 s VAL 346 N 3.06 5.49 0.64 0.00 1.01 0.84 -0.45 120.40 130.99 3a31 s VAL 346 Ca 0.33 -2.50 -0.16 0.00 0.00 0.00 0.00 61.98 59.64 3a31 s VAL 346 Cb -0.14 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 3a31 s VAL 346 CO 0.15 -1.19 1.14 -0.54 0.00 0.00 0.00 175.10 174.65 3a31 s LYS 347 N 0.45 2.84 -0.00 2.72 1.02 -0.46 -4.39 119.74 121.92 3a31 s LYS 347 Ca 0.25 1.53 0.01 0.00 0.02 0.00 0.00 55.97 57.78 3a31 s LYS 347 Cb -0.09 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 3a31 s LYS 347 CO -0.08 -1.24 0.02 0.25 -0.92 0.00 0.00 175.35 173.38 3a31 n THR 348 N -2.14 0.00 0.00 2.17 -2.24 -1.26 -1.99 114.28 108.82 3a31 n THR 348 Ca 0.11 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3a31 n THR 348 Cb 0.51 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 3a31 n THR 348 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a31 n GLY 349 N 2.26 2.51 0.73 3.38 0.00 -1.26 -4.95 105.19 107.86 3a31 n GLY 349 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3a31 n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a31 n GLY 350 N -0.13 0.40 0.17 -0.02 0.00 -1.26 -4.97 105.19 99.38 3a31 n GLY 350 Ca 0.00 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.24 3a31 n GLY 350 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a31 h GLU 351 N 0.00 0.00 0.00 1.61 5.08 -2.05 -2.41 114.58 116.81 3a31 h GLU 351 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3a31 h GLU 351 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3a31 h GLU 351 CO 0.07 0.00 0.00 -0.24 -1.00 0.00 0.00 179.01 177.84 3a31 h VAL 352 N 0.00 0.00 -0.11 3.13 3.04 -2.01 -2.77 116.25 117.53 3a31 h VAL 352 Ca 0.00 -0.02 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 3a31 h VAL 352 Cb 0.64 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3a31 h VAL 352 CO 0.00 0.00 0.12 0.44 -1.01 0.00 0.00 177.57 177.12 3a31 h ASP 353 N 0.00 0.00 -0.12 3.17 5.19 -1.81 -1.52 116.42 121.33 3a31 h ASP 353 Ca 0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 3a31 h ASP 353 Cb 0.02 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.54 3a31 h ASP 353 CO 0.00 0.00 -0.76 -0.09 -3.12 0.00 0.00 179.24 175.27 3a31 h ARG 354 N 0.00 0.77 0.00 3.56 2.43 -1.74 0.27 114.38 119.67 3a31 h ARG 354 Ca 0.05 -0.62 -0.17 0.00 -0.81 0.00 0.00 59.98 58.43 3a31 h ARG 354 Cb 0.30 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3a31 h ARG 354 CO -0.00 1.23 -0.80 0.93 -1.51 0.00 0.00 179.97 179.82 3a31 h GLU 355 N 0.53 0.00 -0.09 0.20 5.08 -1.51 -1.78 114.58 117.02 3a31 h GLU 355 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3a31 h GLU 355 Cb 1.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 3a31 h GLU 355 CO 0.16 0.80 -0.03 0.82 -1.00 0.00 0.00 179.01 179.76 3a31 h ILE 356 N 0.00 1.30 -0.64 3.13 2.04 -1.18 -1.83 117.51 120.33 3a31 h ILE 356 Ca -0.01 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.78 3a31 h ILE 356 Cb 1.43 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 3a31 h ILE 356 CO 0.10 0.28 0.05 -0.08 0.00 0.00 0.00 178.15 178.50 3a31 h GLU 357 N -0.17 1.09 -0.43 2.37 4.57 -0.98 -1.54 114.58 119.49 3a31 h GLU 357 Ca 0.02 -0.32 -0.08 0.00 -1.18 0.00 0.00 59.36 57.80 3a31 h GLU 357 Cb 0.45 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3a31 h GLU 357 CO 0.01 1.03 -0.06 -0.44 -1.18 0.00 0.00 179.01 178.38 3a31 h ASP 358 N 1.00 0.79 -0.10 1.04 3.32 -1.33 -1.85 116.42 119.30 3a31 h ASP 358 Ca 0.19 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3a31 h ASP 358 Cb 0.50 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a31 h ASP 358 CO 0.02 0.95 0.06 0.25 -1.72 0.00 0.00 179.24 178.80 3a31 h LEU 359 N 0.63 0.12 0.35 1.55 5.85 -1.23 -0.80 115.31 121.78 3a31 h LEU 359 Ca 0.11 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3a31 h LEU 359 Cb 0.57 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3a31 h LEU 359 CO 0.03 0.12 -0.24 0.00 -0.34 0.00 0.00 178.44 178.02 3a31 h ALA 360 N 1.01 -0.57 -0.35 1.25 0.00 -1.29 0.11 119.26 119.42 3a31 h ALA 360 Ca 0.04 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3a31 h ALA 360 Cb 0.02 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3a31 h ALA 360 CO -0.01 -0.84 -0.14 1.03 0.00 0.00 0.00 179.25 179.30 3a31 h SER 361 N -0.58 -0.48 -0.50 0.00 0.87 -1.38 0.16 113.55 111.64 3a31 h SER 361 Ca -0.03 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3a31 h SER 361 Cb 0.49 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 3a31 h SER 361 CO 0.02 -0.17 -0.01 0.28 -0.53 0.00 0.00 176.83 176.42 3a31 h SER 362 N -0.07 0.88 -0.28 6.23 0.02 -0.87 -0.05 113.55 119.41 3a31 h SER 362 Ca 0.18 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3a31 h SER 362 Cb 0.34 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3a31 h SER 362 CO -0.40 0.98 0.18 0.40 -1.14 0.00 0.00 176.83 176.84 3a31 h ILE 363 N 0.76 1.08 -0.19 3.27 2.04 -0.56 -0.40 117.51 123.51 3a31 h ILE 363 Ca 0.14 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3a31 h ILE 363 Cb 0.53 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3a31 h ILE 363 CO 0.03 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 178.11 3a31 h ALA 364 N 1.09 -0.00 -0.76 1.87 0.00 -0.41 0.56 119.26 121.61 3a31 h ALA 364 Ca 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3a31 h ALA 364 Cb -0.02 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3a31 h ALA 364 CO -0.02 -0.57 0.31 0.87 0.00 0.00 0.00 179.25 179.83 3a31 h LYS 365 N -0.15 1.13 -0.36 0.00 1.57 -0.81 -2.15 116.57 115.81 3a31 h LYS 365 Ca 0.12 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3a31 h LYS 365 Cb 0.32 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3a31 h LYS 365 CO -0.28 0.91 0.16 0.78 -0.57 0.00 0.00 179.45 180.44 3a31 h GLY 366 N 1.13 0.56 1.03 3.86 0.00 -0.35 -0.41 103.07 108.89 3a31 h GLY 366 Ca 0.25 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3a31 h GLY 366 CO -0.02 0.28 0.36 1.41 0.00 0.00 0.00 176.54 178.57 3a31 h LEU 367 N 0.43 1.06 -0.23 3.11 3.38 -0.73 -1.43 115.31 120.90 3a31 h LEU 367 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3a31 h LEU 367 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3a31 h LEU 367 CO -0.01 0.91 0.14 -0.07 0.09 0.00 0.00 178.44 179.49 3a31 h LEU 368 N 1.14 0.27 -1.84 1.67 3.38 -1.21 -1.73 115.31 116.99 3a31 h LEU 368 Ca 0.27 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.29 3a31 h LEU 368 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3a31 h LEU 368 CO -0.03 0.25 0.32 0.44 0.09 0.00 0.00 178.44 179.51 3a31 h ASP 369 N 0.28 0.16 0.41 -0.43 5.19 -0.70 0.11 116.42 121.45 3a31 h ASP 369 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3a31 h ASP 369 Cb 0.03 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3a31 h ASP 369 CO -0.01 0.10 -0.01 0.29 -3.12 0.00 0.00 179.24 176.49 3a31 n LYS 370 N -4.45 0.60 -0.06 3.56 5.02 -0.57 -4.90 118.16 117.35 3a31 n LYS 370 Ca 0.07 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3a31 n LYS 370 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3a31 n LYS 370 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a31 n GLY 371 N 1.22 0.97 3.94 0.72 0.00 0.37 -5.00 105.19 107.40 3a31 n GLY 371 Ca 0.17 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 3a31 n GLY 371 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a31 s PHE 372 N -2.00 3.42 -0.27 1.61 0.08 -0.73 -2.62 117.98 117.47 3a31 s PHE 372 Ca 0.00 0.43 -0.15 0.00 0.12 0.00 0.00 56.93 57.32 3a31 s PHE 372 Cb 0.00 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.27 3a31 s PHE 372 CO 0.00 -0.15 0.40 1.03 -0.10 0.00 0.00 175.22 176.39 3a31 s ARG 373 N -4.51 4.03 -0.04 0.44 0.52 -1.26 -3.13 118.95 115.00 3a31 s ARG 373 Ca 0.45 0.09 0.03 0.00 -0.52 0.00 0.00 55.73 55.77 3a31 s ARG 373 Cb -0.10 -3.65 0.01 0.00 0.52 0.00 0.00 34.95 31.73 3a31 s ARG 373 CO 0.39 -0.28 -0.10 0.08 0.02 0.00 0.00 175.30 175.40 3a31 s VAL 374 N 2.08 0.92 -0.11 3.52 1.01 0.05 0.16 120.40 128.03 3a31 s VAL 374 Ca 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3a31 s VAL 374 Cb -0.16 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3a31 s VAL 374 CO 0.10 0.29 -0.12 0.00 0.00 0.00 0.00 175.10 175.37 3a31 s ALA 375 N 0.32 1.50 -0.13 5.51 0.00 -0.72 0.29 121.76 128.52 3a31 s ALA 375 Ca -0.06 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 3a31 s ALA 375 Cb -0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 3a31 s ALA 375 CO 0.01 -0.19 0.24 0.08 0.00 0.00 0.00 175.76 175.90 3a31 s VAL 376 N 1.22 5.34 -0.12 0.00 1.01 -1.26 -0.31 120.40 126.28 3a31 s VAL 376 Ca -0.03 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3a31 s VAL 376 Cb -0.14 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3a31 s VAL 376 CO -0.04 0.49 -0.16 -0.75 0.00 0.00 0.00 175.10 174.65 3a31 s LYS 377 N -0.21 2.33 -0.06 2.72 2.47 0.42 -4.69 119.74 122.71 3a31 s LYS 377 Ca 0.16 -0.60 -0.26 0.00 -1.56 0.00 0.00 55.97 53.71 3a31 s LYS 377 Cb -0.13 -1.99 -0.03 0.00 -1.46 0.00 0.00 37.83 34.22 3a31 s LYS 377 CO 0.04 -0.09 0.83 0.20 0.16 0.00 0.00 175.35 176.50 3a31 s GLY 378 N 1.05 2.64 0.00 5.54 0.00 -1.26 -1.29 107.32 114.00 3a31 s GLY 378 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3a31 s GLY 378 CO -0.03 1.46 0.00 -1.26 0.00 0.00 0.00 173.10 173.27 3a31 n SER 379 N 4.07 0.00 -3.83 1.64 2.88 0.40 -4.94 113.62 113.84 3a31 n SER 379 Ca 0.02 -0.80 -0.09 0.00 -1.33 0.00 0.00 58.87 56.67 3a31 n SER 379 Cb 0.51 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.92 3a31 n SER 379 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3a31 s SER 380 N -0.58 -0.16 0.38 -3.46 1.04 -1.26 -1.35 113.70 108.31 3a31 s SER 380 Ca 0.00 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.86 3a31 s SER 380 Cb 0.00 0.54 0.75 0.00 0.10 0.00 0.00 66.02 67.42 3a31 s SER 380 CO 0.00 -1.03 1.96 0.11 0.98 0.00 0.00 173.24 175.27 3a31 h LYS 381 N 2.29 0.47 0.05 4.02 1.57 -1.67 -1.41 116.57 121.88 3a31 h LYS 381 Ca -0.29 -0.07 -0.30 0.00 -1.87 0.00 0.00 60.65 58.13 3a31 h LYS 381 Cb 1.25 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3a31 h LYS 381 CO 0.40 0.43 -1.62 1.79 -0.57 0.00 0.00 179.45 179.88 3a31 h THR 382 N 0.46 1.00 0.00 -0.16 1.35 -1.96 -3.29 112.91 110.31 3a31 h THR 382 Ca 0.11 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 3a31 h THR 382 Cb 0.17 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3a31 h THR 382 CO -0.00 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3a31 n GLY 383 N 1.62 -1.45 0.28 5.82 0.00 -1.12 -4.37 105.19 105.97 3a31 n GLY 383 Ca -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 3a31 n GLY 383 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a31 h LEU 384 N 0.00 0.74 -0.53 0.99 5.85 -1.33 -0.98 115.31 120.04 3a31 h LEU 384 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3a31 h LEU 384 Cb 0.52 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3a31 h LEU 384 CO 0.00 0.50 0.24 -1.28 -0.34 0.00 0.00 178.44 177.56 3a31 h SER 385 N 0.87 0.71 1.01 1.25 0.87 -1.84 -0.61 113.55 115.82 3a31 h SER 385 Ca 0.30 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 3a31 h SER 385 Cb 0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3a31 h SER 385 CO -0.13 0.66 -1.05 -1.28 -0.53 0.00 0.00 176.83 174.50 3a31 h SER 386 N 0.71 0.00 -0.68 6.23 0.87 -1.79 -2.48 113.55 116.41 3a31 h SER 386 Ca 0.18 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3a31 h SER 386 Cb 0.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 3a31 h SER 386 CO -0.02 0.46 0.35 0.44 -0.53 0.00 0.00 176.83 177.53 3a31 h ASP 387 N 0.00 0.87 -0.06 6.23 3.32 -0.66 -2.07 116.42 124.05 3a31 h ASP 387 Ca -0.09 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3a31 h ASP 387 Cb 1.43 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3a31 h ASP 387 CO 0.04 0.74 -0.16 0.58 -1.72 0.00 0.00 179.24 178.72 3a31 h VAL 388 N 0.94 1.44 -0.74 -1.35 2.07 -1.14 -1.16 116.25 116.30 3a31 h VAL 388 Ca 0.24 -1.54 0.14 0.00 0.82 0.00 0.00 66.70 66.36 3a31 h VAL 388 Cb 0.08 2.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.06 3a31 h VAL 388 CO -0.03 0.43 0.29 -0.09 0.02 0.00 0.00 177.57 178.18 3a31 h ARG 389 N -0.32 0.42 -0.18 1.57 9.65 -1.48 0.44 114.38 124.48 3a31 h ARG 389 Ca -0.00 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3a31 h ARG 389 Cb 0.77 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 3a31 h ARG 389 CO 0.03 0.28 0.06 0.45 2.80 0.00 0.00 179.97 183.60 3a31 h HIS 390 N 0.44 0.29 -0.72 2.20 3.86 -1.17 -1.04 115.15 119.01 3a31 h HIS 390 Ca 0.41 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.65 3a31 h HIS 390 Cb 0.61 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.93 3a31 h HIS 390 CO -0.17 0.37 0.41 0.82 0.86 0.00 0.00 177.93 180.22 3a31 h ILE 391 N 0.13 0.98 0.00 2.45 2.04 -0.52 -2.63 117.51 119.96 3a31 h ILE 391 Ca 0.06 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 3a31 h ILE 391 Cb 0.21 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3a31 h ILE 391 CO -0.00 0.14 -0.60 -0.33 0.00 0.00 0.00 178.15 177.35 3a31 h GLU 392 N 0.75 0.00 -0.00 2.37 4.39 0.03 0.03 114.58 122.16 3a31 h GLU 392 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 3a31 h GLU 392 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3a31 h GLU 392 CO -0.19 0.60 -0.14 -1.13 -1.16 0.00 0.00 179.01 176.99 3a31 n SER 393 N -3.73 0.23 0.00 1.42 3.41 -0.41 -4.40 113.62 110.14 3a31 n SER 393 Ca -0.01 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3a31 n SER 393 Cb 0.62 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3a31 n SER 393 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3a31 n THR 394 N -1.35 0.00 0.08 6.66 -1.04 -1.02 -4.93 114.28 112.68 3a31 n THR 394 Ca 0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.06 3a31 n THR 394 Cb 0.31 -0.32 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 3a31 n THR 394 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a31 h ALA 395 N 0.00 0.44 -6.70 2.41 0.00 -1.41 -3.35 119.26 110.66 3a31 h ALA 395 Ca 0.00 -0.78 -0.54 0.00 0.00 0.00 0.00 54.91 53.58 3a31 h ALA 395 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.67 3a31 h ALA 395 CO 0.00 1.08 -0.99 1.63 0.00 0.00 0.00 179.25 180.97 3a31 n LYS 396 N -3.32 -0.58 -1.96 0.00 5.02 -0.12 -4.77 118.16 112.43 3a31 n LYS 396 Ca 0.01 0.22 -0.37 0.00 -2.02 0.00 0.00 58.31 56.14 3a31 n LYS 396 Cb 0.88 -3.04 0.03 0.00 -0.02 0.00 0.00 35.03 32.88 3a31 n LYS 396 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3a31 s PRO 397 N -6.89 3.18 0.20 1.97 0.02 -1.26 -4.86 135.00 127.34 3a31 s PRO 397 Ca 0.48 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 63.37 3a31 s PRO 397 Cb -0.23 -2.15 0.12 0.00 0.02 0.00 0.00 34.50 32.26 3a31 s PRO 397 CO 0.93 -1.08 1.85 0.00 -0.33 0.00 0.00 177.00 178.37 3a31 h ALA 398 N 1.34 0.86 -3.30 -1.55 0.00 -1.40 -3.43 119.26 111.78 3a31 h ALA 398 Ca -0.50 -0.06 -0.46 0.00 0.00 0.00 0.00 54.91 53.88 3a31 h ALA 398 Cb 1.29 -0.27 -0.36 0.00 0.00 0.00 0.00 17.79 18.44 3a31 h ALA 398 CO 0.57 0.31 -0.78 0.08 0.00 0.00 0.00 179.25 179.43 3a31 s VAL 399 N -6.06 0.64 -0.10 0.00 1.01 -0.38 -2.45 120.40 113.06 3a31 s VAL 399 Ca -0.13 -0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3a31 s VAL 399 Cb 0.14 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3a31 s VAL 399 CO 0.77 0.29 0.39 0.20 0.00 0.00 0.00 175.10 176.75 3a31 s ASN 400 N 1.54 6.62 -0.22 3.32 0.01 -0.25 -0.38 114.94 125.59 3a31 s ASN 400 Ca -0.01 0.74 0.02 0.00 -0.71 0.00 0.00 52.86 52.90 3a31 s ASN 400 Cb -0.13 -2.24 0.04 0.00 0.41 0.00 0.00 41.25 39.33 3a31 s ASN 400 CO -0.04 0.12 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.82 3a31 s VAL 401 N 0.14 2.10 -0.24 1.60 1.01 0.11 -0.58 120.40 124.54 3a31 s VAL 401 Ca 0.22 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 3a31 s VAL 401 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3a31 s VAL 401 CO 0.09 0.27 0.31 -0.36 0.00 0.00 0.00 175.10 175.41 3a31 s PHE 402 N 1.21 3.31 -0.27 5.22 0.08 -0.21 -0.34 117.98 126.97 3a31 s PHE 402 Ca -0.02 0.41 0.03 0.00 0.12 0.00 0.00 56.93 57.47 3a31 s PHE 402 Cb -0.16 -2.46 0.07 0.00 -0.57 0.00 0.00 43.02 39.90 3a31 s PHE 402 CO -0.09 -0.07 -0.05 0.42 -0.10 0.00 0.00 175.22 175.33 3a31 s ILE 403 N 1.50 2.00 0.32 0.64 1.01 0.68 -3.57 121.20 123.78 3a31 s ILE 403 Ca 0.14 -1.69 0.01 0.00 0.00 0.00 0.00 60.65 59.11 3a31 s ILE 403 Cb -0.15 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3a31 s ILE 403 CO 0.08 -0.19 0.02 0.61 0.00 0.00 0.00 174.94 175.46 3a31 n GLY 404 N 4.46 3.73 0.19 6.18 0.00 -1.26 -0.11 105.19 118.38 3a31 n GLY 404 Ca -0.09 -2.25 -0.05 0.00 0.00 0.00 0.00 46.02 43.63 3a31 n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a31 h ALA 405 N 1.23 0.24 -0.77 4.61 0.00 -1.93 -1.06 119.26 121.58 3a31 h ALA 405 Ca -0.26 0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.94 3a31 h ALA 405 Cb 0.83 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3a31 h ALA 405 CO 0.43 -0.47 0.35 -0.22 0.00 0.00 0.00 179.25 179.34 3a31 h LYS 406 N -0.03 0.52 -0.37 0.00 3.64 -1.97 0.16 116.57 118.53 3a31 h LYS 406 Ca 0.20 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3a31 h LYS 406 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3a31 h LYS 406 CO -0.44 0.34 -0.06 0.93 -2.27 0.00 0.00 179.45 177.96 3a31 h GLU 407 N 0.54 0.69 -0.60 1.90 3.07 -1.45 -0.48 114.58 118.23 3a31 h GLU 407 Ca 0.41 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3a31 h GLU 407 Cb 0.56 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 3a31 h GLU 407 CO -0.35 0.83 0.40 0.28 -1.40 0.00 0.00 179.01 178.76 3a31 h VAL 408 N 0.49 1.16 0.00 3.13 2.07 -0.89 -0.60 116.25 121.61 3a31 h VAL 408 Ca 0.10 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 3a31 h VAL 408 Cb 0.56 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3a31 h VAL 408 CO 0.03 0.16 -0.86 0.03 0.02 0.00 0.00 177.57 176.94 3a31 h ARG 409 N 0.82 0.00 0.00 1.57 3.08 -0.77 -3.29 114.38 115.79 3a31 h ARG 409 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3a31 h ARG 409 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3a31 h ARG 409 CO -0.05 0.86 -1.09 0.39 -1.07 0.00 0.00 179.97 179.01 3a31 n GLU 410 N -3.50 0.19 -3.53 0.04 1.02 -0.21 -4.98 120.64 109.67 3a31 n GLU 410 Ca -0.00 -0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 3a31 n GLU 410 Cb 0.83 -1.54 0.08 0.00 -0.02 0.00 0.00 31.44 30.79 3a31 n GLU 410 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a31 n LYS 411 N -1.77 -7.47 -3.80 3.49 4.76 -0.24 -4.96 118.16 108.16 3a31 n LYS 411 Ca 0.02 0.82 -0.20 0.00 -2.87 0.00 0.00 58.31 56.08 3a31 n LYS 411 Cb 0.40 -5.82 -0.17 0.00 -1.84 0.00 0.00 35.03 27.60 3a31 n LYS 411 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3a31 s VAL 412 N -3.32 0.17 0.42 -0.18 1.01 -1.16 -1.63 120.40 115.70 3a31 s VAL 412 Ca 0.42 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.37 3a31 s VAL 412 Cb -0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 3a31 s VAL 412 CO 0.72 0.19 0.98 -0.76 0.00 0.00 0.00 175.10 176.23 3a31 s LEU 413 N 1.67 4.03 -0.47 3.92 1.43 0.73 -4.46 118.68 125.54 3a31 s LEU 413 Ca -0.01 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 54.74 3a31 s LEU 413 Cb -0.13 -4.38 0.05 0.00 0.03 0.00 0.00 46.19 41.75 3a31 s LEU 413 CO -0.03 -0.41 0.53 -0.62 0.23 0.00 0.00 176.35 176.04 3a31 s ASP 414 N -1.93 6.21 -0.16 2.29 -1.08 -1.23 -2.29 116.67 118.48 3a31 s ASP 414 Ca 0.60 -0.86 0.01 0.00 -0.52 0.00 0.00 52.55 51.78 3a31 s ASP 414 Cb -0.15 -2.25 0.02 0.00 -1.46 0.00 0.00 42.92 39.08 3a31 s ASP 414 CO 0.19 -0.74 -0.18 -0.69 0.52 0.00 0.00 175.17 174.26 3a31 s VAL 415 N 2.32 1.91 -0.27 1.11 1.01 -0.64 -1.04 120.40 124.79 3a31 s VAL 415 Ca 0.13 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3a31 s VAL 415 Cb -0.19 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.53 3a31 s VAL 415 CO 0.12 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.54 3a31 s ARG 416 N 1.28 1.91 0.01 2.72 0.52 0.25 0.78 118.95 126.43 3a31 s ARG 416 Ca 0.03 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 53.75 3a31 s ARG 416 Cb -0.13 -2.85 -0.06 0.00 0.52 0.00 0.00 34.95 32.43 3a31 s ARG 416 CO -0.11 -0.66 0.42 0.08 0.02 0.00 0.00 175.30 175.05 3a31 s VAL 417 N 1.15 5.02 -0.07 3.52 1.01 -0.81 -1.09 120.40 129.12 3a31 s VAL 417 Ca -0.04 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3a31 s VAL 417 Cb -0.19 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3a31 s VAL 417 CO -0.06 0.55 0.64 0.12 0.00 0.00 0.00 175.10 176.34 3a31 s PHE 418 N -1.11 3.58 -0.43 5.22 5.36 -1.02 -0.88 117.98 128.68 3a31 s PHE 418 Ca 0.25 1.17 -0.19 0.00 -0.96 0.00 0.00 56.93 57.19 3a31 s PHE 418 Cb -0.17 -2.73 0.02 0.00 -0.34 0.00 0.00 43.02 39.81 3a31 s PHE 418 CO 0.14 0.14 0.55 0.34 -1.46 0.00 0.00 175.22 174.93 3a31 s ASP 419 N 0.64 6.26 0.41 6.13 3.68 0.56 -4.93 116.67 129.43 3a31 s ASP 419 Ca 0.34 -0.51 0.18 0.00 2.13 0.00 0.00 52.55 54.69 3a31 s ASP 419 Cb -0.17 -2.28 0.88 0.00 -1.45 0.00 0.00 42.92 39.90 3a31 s ASP 419 CO 0.16 -0.69 1.86 -0.07 0.13 0.00 0.00 175.17 176.56 3a31 h LEU 420 N 9.41 0.00 0.18 -1.34 3.38 -1.95 -3.04 115.31 121.95 3a31 h LEU 420 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3a31 h LEU 420 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a31 h LEU 420 CO 0.85 0.31 -0.09 -0.33 0.09 0.00 0.00 178.44 179.28 3a31 h GLU 421 N 0.00 -0.24 0.00 1.13 4.39 -1.91 -3.47 114.58 114.48 3a31 h GLU 421 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3a31 h GLU 421 Cb 0.65 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3a31 h GLU 421 CO 0.04 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 176.87 3a31 n SER 422 N -4.93 0.00 0.00 1.42 3.41 -1.21 -5.24 113.62 107.07 3a31 n SER 422 Ca -0.06 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3a31 n SER 422 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3a31 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a31 n LYS 424 N -0.35 0.00 -1.81 4.33 5.02 -1.15 -5.05 118.16 119.16 3a31 n LYS 424 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3a31 n LYS 424 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3a31 n LYS 424 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a31 s ARG 425 N -4.17 3.42 -0.08 1.97 1.81 -1.26 -0.32 118.95 120.31 3a31 s ARG 425 Ca 0.00 2.31 0.03 0.00 -1.72 0.00 0.00 55.73 56.35 3a31 s ARG 425 Cb 0.00 -2.46 0.01 0.00 -0.45 0.00 0.00 34.95 32.05 3a31 s ARG 425 CO 0.00 -0.99 -0.18 0.50 -0.68 0.00 0.00 175.30 173.95 3a31 s ARG 426 N -2.68 2.37 0.00 3.54 3.52 -0.06 -4.86 118.95 120.78 3a31 s ARG 426 Ca 0.66 -0.64 -0.21 0.00 -0.13 0.00 0.00 55.73 55.41 3a31 s ARG 426 Cb -0.42 -1.86 -0.05 0.00 -1.56 0.00 0.00 34.95 31.06 3a31 s ARG 426 CO 0.51 0.09 0.62 0.50 -0.81 0.00 0.00 175.30 176.22 3a31 s ARG 427 N 0.53 4.34 0.09 5.12 3.52 -1.26 -1.93 118.95 129.36 3a31 s ARG 427 Ca -0.16 0.79 0.09 0.00 -0.13 0.00 0.00 55.73 56.32 3a31 s ARG 427 Cb -0.17 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3a31 s ARG 427 CO 0.06 0.36 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.15 3a31 s LEU 428 N -0.17 2.26 -0.28 -0.88 1.43 0.23 -4.97 118.68 116.29 3a31 s LEU 428 Ca 0.32 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 3a31 s LEU 428 Cb -0.19 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.97 3a31 s LEU 428 CO 0.18 0.16 0.01 0.00 0.23 0.00 0.00 176.35 176.93 3a31 s ALA 429 N -0.99 2.86 -0.32 4.21 0.00 -1.26 -1.62 121.76 124.63 3a31 s ALA 429 Ca 0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 3a31 s ALA 429 Cb -0.10 -1.94 0.06 0.00 0.00 0.00 0.00 23.12 21.14 3a31 s ALA 429 CO 0.04 -1.03 0.05 0.42 0.00 0.00 0.00 175.76 175.24 3a31 s ILE 430 N 1.36 3.18 0.49 0.00 -1.09 -0.97 -4.92 121.20 119.25 3a31 s ILE 430 Ca -0.01 -1.45 -0.21 0.00 -2.23 0.00 0.00 60.65 56.75 3a31 s ILE 430 Cb -0.18 -2.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.75 3a31 s ILE 430 CO -0.01 -0.22 1.13 0.00 -1.23 0.00 0.00 174.94 174.61 3a31 s ALA 431 N 1.26 2.87 0.06 9.38 0.00 -1.26 -0.19 121.76 133.88 3a31 s ALA 431 Ca -0.02 0.83 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 3a31 s ALA 431 Cb -0.20 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 3a31 s ALA 431 CO -0.01 -0.61 0.17 1.52 0.00 0.00 0.00 175.76 176.83 3a31 s TYR 432 N -1.69 0.14 -0.15 0.00 -0.85 -0.64 -4.80 117.35 109.36 3a31 s TYR 432 Ca 0.67 -0.49 -0.09 0.00 -0.52 0.00 0.00 57.07 56.64 3a31 s TYR 432 Cb -0.25 -0.07 -0.24 0.00 0.38 0.00 0.00 41.96 41.78 3a31 s TYR 432 CO 0.29 -0.48 0.29 0.41 -1.52 0.00 0.00 175.55 174.55 3a31 n GLY 433 N 0.30 -0.59 3.05 5.49 0.00 -1.26 -4.77 105.19 107.41 3a31 n GLY 433 Ca -0.17 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3a31 n GLY 433 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a31 n ASP 434 N -3.64 -1.76 -0.12 1.61 5.68 -1.26 -5.04 116.55 112.02 3a31 n ASP 434 Ca -0.33 -2.36 -0.05 0.00 -0.50 0.00 0.00 54.79 51.54 3a31 n ASP 434 Cb 0.98 2.97 0.03 0.00 -1.14 0.00 0.00 41.12 43.96 3a31 n ASP 434 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a31 h ALA 435 N 1.99 0.46 -0.45 2.12 0.00 -1.96 -0.17 119.26 121.25 3a31 h ALA 435 Ca -0.27 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3a31 h ALA 435 Cb 1.01 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3a31 h ALA 435 CO 0.34 -0.26 0.03 0.00 0.00 0.00 0.00 179.25 179.37 3a31 h ALA 436 N 1.26 0.45 -0.40 0.00 0.00 -1.97 -1.66 119.26 116.94 3a31 h ALA 436 Ca 0.18 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3a31 h ALA 436 Cb 0.17 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3a31 h ALA 436 CO -0.19 -0.37 -0.30 0.22 0.00 0.00 0.00 179.25 178.61 3a31 h ASP 437 N 0.15 0.92 -0.98 0.00 3.58 -1.81 -1.62 116.42 116.65 3a31 h ASP 437 Ca 0.22 -0.38 0.06 0.00 0.42 0.00 0.00 57.03 57.36 3a31 h ASP 437 Cb 0.32 -0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.05 3a31 h ASP 437 CO -0.34 1.14 0.63 0.00 -2.88 0.00 0.00 179.24 177.79 3a31 h ALA 438 N 0.91 1.36 -0.39 -0.78 0.00 -0.68 -1.34 119.26 118.33 3a31 h ALA 438 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3a31 h ALA 438 Cb 0.87 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3a31 h ALA 438 CO 0.08 0.43 -0.23 0.28 0.00 0.00 0.00 179.25 179.81 3a31 h VAL 439 N 1.16 1.28 -0.26 0.00 2.07 -0.87 0.28 116.25 119.91 3a31 h VAL 439 Ca 0.42 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3a31 h VAL 439 Cb 0.15 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3a31 h VAL 439 CO -0.17 0.46 0.12 -0.33 0.02 0.00 0.00 177.57 177.67 3a31 h GLU 440 N 0.65 0.25 -0.47 1.57 4.39 -1.06 0.10 114.58 120.02 3a31 h GLU 440 Ca 0.08 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.65 3a31 h GLU 440 Cb 0.79 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 3a31 h GLU 440 CO 0.07 0.17 -0.18 -0.91 -1.16 0.00 0.00 179.01 177.00 3a31 h ASN 441 N 0.26 0.93 -0.63 1.42 2.35 -1.00 -0.40 115.58 118.52 3a31 h ASN 441 Ca 0.11 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3a31 h ASN 441 Cb 0.04 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3a31 h ASN 441 CO -0.08 1.09 0.26 -0.07 -1.65 0.00 0.00 177.43 176.98 3a31 h LEU 442 N 0.81 0.86 -1.35 1.61 3.38 -0.87 -2.53 115.31 117.22 3a31 h LEU 442 Ca 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3a31 h LEU 442 Cb 0.72 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3a31 h LEU 442 CO 0.06 0.78 0.22 0.00 0.09 0.00 0.00 178.44 179.58 3a31 h ALA 443 N 1.11 1.50 -0.70 1.53 0.00 -0.19 -1.68 119.26 120.83 3a31 h ALA 443 Ca 0.21 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3a31 h ALA 443 Cb 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3a31 h ALA 443 CO -0.02 0.40 0.18 0.00 0.00 0.00 0.00 179.25 179.81 3a31 h ALA 444 N 1.58 0.92 -0.37 0.00 0.00 -0.89 -0.71 119.26 119.78 3a31 h ALA 444 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a31 h ALA 444 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3a31 h ALA 444 CO -0.02 0.63 0.22 0.28 0.00 0.00 0.00 179.25 180.36 3a31 h VAL 445 N 1.04 1.13 -0.68 0.00 2.07 -1.06 -1.88 116.25 116.87 3a31 h VAL 445 Ca 0.22 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3a31 h VAL 445 Cb 0.35 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3a31 h VAL 445 CO -0.00 0.13 0.44 0.00 0.02 0.00 0.00 177.57 178.15 3a31 h ALA 446 N 1.09 1.50 -0.25 1.67 0.00 -0.88 -1.44 119.26 120.95 3a31 h ALA 446 Ca 0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3a31 h ALA 446 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3a31 h ALA 446 CO -0.02 0.46 -0.34 0.93 0.00 0.00 0.00 179.25 180.27 3a31 h GLU 447 N 0.92 0.54 -0.59 0.00 5.08 -0.90 0.62 114.58 120.25 3a31 h GLU 447 Ca 0.25 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3a31 h GLU 447 Cb -0.09 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3a31 h GLU 447 CO -0.05 0.81 0.02 1.49 -1.00 0.00 0.00 179.01 180.28 3a31 h GLU 448 N 0.46 1.02 0.00 2.33 4.57 -0.46 -1.48 114.58 121.02 3a31 h GLU 448 Ca 0.05 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 57.87 3a31 h GLU 448 Cb 0.81 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3a31 h GLU 448 CO 0.07 0.98 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.53 3a31 h LEU 449 N 0.94 0.00 0.00 1.64 3.38 -0.82 -2.81 115.31 117.63 3a31 h LEU 449 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3a31 h LEU 449 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a31 h LEU 449 CO 0.02 0.28 -0.56 -0.62 0.09 0.00 0.00 178.44 177.65 3a31 n GLU 450 N -3.54 0.20 -0.13 1.13 1.02 0.16 -4.49 120.64 114.99 3a31 n GLU 450 Ca -0.01 0.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.15 3a31 n GLU 450 Cb 0.42 -1.63 0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3a31 n GLU 450 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3a31 h SER 451 N 0.00 -0.07 -0.37 1.62 0.87 -1.00 -0.43 113.55 114.17 3a31 h SER 451 Ca 0.00 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3a31 h SER 451 Cb 0.67 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3a31 h SER 451 CO 0.00 -0.00 0.25 -0.65 -0.53 0.00 0.00 176.83 175.89 3a31 h PRO 452 N 0.17 0.39 -0.12 2.24 0.11 -1.79 -2.03 132.00 130.97 3a31 h PRO 452 Ca 0.21 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 66.09 3a31 h PRO 452 Cb 0.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3a31 h PRO 452 CO -0.31 0.26 -0.76 0.28 -0.21 0.00 0.00 178.00 177.27 3a31 h VAL 453 N 0.40 1.32 -0.71 3.15 2.07 -1.36 -2.73 116.25 118.41 3a31 h VAL 453 Ca 0.15 -2.04 0.07 0.00 0.82 0.00 0.00 66.70 65.69 3a31 h VAL 453 Cb 0.09 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 3a31 h VAL 453 CO -0.03 0.63 0.46 0.03 0.02 0.00 0.00 177.57 178.68 3a31 h ARG 454 N 0.43 0.69 0.00 1.57 3.08 -0.60 -1.22 114.38 118.33 3a31 h ARG 454 Ca -0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3a31 h ARG 454 Cb 1.36 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3a31 h ARG 454 CO 0.15 0.46 -0.13 0.66 -1.07 0.00 0.00 179.97 180.03 3a31 h SER 455 N 0.71 0.00 0.06 7.04 4.64 -1.08 0.55 113.55 125.48 3a31 h SER 455 Ca 0.31 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.47 3a31 h SER 455 Cb 0.29 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3a31 h SER 455 CO -0.10 0.13 -0.67 -0.07 -0.87 0.00 0.00 176.83 175.26 3a31 h LEU 456 N 0.00 0.48 -1.23 5.97 3.38 -1.19 -3.42 115.31 119.31 3a31 h LEU 456 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.12 3a31 h LEU 456 Cb 0.70 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3a31 h LEU 456 CO 0.02 1.28 0.00 -1.54 0.09 0.00 0.00 178.44 178.29 3a31 n SER 457 N -4.20 0.86 0.00 -0.43 3.41 -0.54 -4.11 113.62 108.61 3a31 n SER 457 Ca -0.12 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3a31 n SER 457 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3a31 n SER 457 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a31 n GLY 458 N -0.12 1.62 3.16 5.00 0.00 0.19 -4.74 105.19 110.31 3a31 n GLY 458 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 3a31 n GLY 458 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a31 s GLN 459 N 0.00 2.04 -0.11 1.61 -0.21 -1.26 -4.78 119.66 116.95 3a31 s GLN 459 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 54.47 3a31 s GLN 459 Cb 0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 3a31 s GLN 459 CO 0.00 0.25 0.73 0.00 -2.12 0.00 0.00 175.29 174.15 3a31 s ALA 460 N 0.07 3.41 0.12 6.09 0.00 -1.26 -4.65 121.76 125.54 3a31 s ALA 460 Ca -0.06 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.65 3a31 s ALA 460 Cb -0.13 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.86 3a31 s ALA 460 CO 0.03 -0.32 1.56 -1.25 0.00 0.00 0.00 175.76 175.78 3a31 s PRO 461 N 1.33 4.23 -0.39 0.00 0.04 -1.26 -4.99 135.00 133.96 3a31 s PRO 461 Ca 0.37 2.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.63 3a31 s PRO 461 Cb -0.17 -3.34 0.07 0.00 0.04 0.00 0.00 34.50 31.11 3a31 s PRO 461 CO 0.16 -0.62 0.19 1.03 0.04 0.00 0.00 177.00 177.79 3a31 s ARG 462 N 1.69 2.46 -0.40 4.56 1.81 -1.26 -5.01 118.95 122.80 3a31 s ARG 462 Ca 0.70 -1.45 0.01 0.00 -1.72 0.00 0.00 55.73 53.27 3a31 s ARG 462 Cb -0.41 -3.60 0.11 0.00 -0.45 0.00 0.00 34.95 30.60 3a31 s ARG 462 CO 0.31 -0.88 0.15 0.42 -0.68 0.00 0.00 175.30 174.62 3a31 s ILE 463 N 1.34 2.75 0.59 1.52 1.01 -1.19 -4.96 121.20 122.26 3a31 s ILE 463 Ca 0.02 -2.41 -0.15 0.00 0.00 0.00 0.00 60.65 58.11 3a31 s ILE 463 Cb -0.22 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3a31 s ILE 463 CO 0.01 -0.67 1.05 -2.16 0.00 0.00 0.00 174.94 173.16 3a31 s PRO 464 N 0.77 3.40 -0.17 2.79 0.04 -1.08 -4.45 135.00 136.31 3a31 s PRO 464 Ca 0.11 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 3a31 s PRO 464 Cb -0.21 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.35 3a31 s PRO 464 CO -0.06 -0.74 0.71 0.00 0.04 0.00 0.00 177.00 176.95 3a31 s ALA 465 N -2.53 -1.78 -0.57 8.56 0.00 -1.18 -4.89 121.76 119.36 3a31 s ALA 465 Ca 0.62 1.70 -0.19 0.00 0.00 0.00 0.00 51.96 54.09 3a31 s ALA 465 Cb -0.15 -0.64 0.10 0.00 0.00 0.00 0.00 23.12 22.43 3a31 s ALA 465 CO 0.37 -0.35 0.68 0.34 0.00 0.00 0.00 175.76 176.80 3a31 s ASP 466 N -0.36 6.19 -0.37 0.00 -1.08 -1.26 -0.77 116.67 119.02 3a31 s ASP 466 Ca -0.05 -1.37 0.07 0.00 -0.52 0.00 0.00 52.55 50.68 3a31 s ASP 466 Cb -0.03 -2.29 0.63 0.00 -1.46 0.00 0.00 42.92 39.77 3a31 s ASP 466 CO 0.05 -1.06 1.74 0.49 0.52 0.00 0.00 175.17 176.91 3a31 n PHE 467 N 6.24 2.28 -0.35 -5.34 3.72 0.14 -4.65 117.46 119.51 3a31 n PHE 467 Ca -0.09 -1.63 0.23 0.00 -0.05 0.00 0.00 57.45 55.91 3a31 n PHE 467 Cb 0.43 -0.74 0.48 0.00 -0.94 0.00 0.00 39.48 38.70 3a31 n PHE 467 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3a31 h SER 468 N 1.30 0.51 0.00 4.37 0.02 -1.84 -3.32 113.55 114.60 3a31 h SER 468 Ca 0.42 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3a31 h SER 468 Cb 2.36 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.97 3a31 h SER 468 CO 0.79 -0.01 0.00 2.22 -1.14 0.00 0.00 176.83 178.69 3a31 n PHE 469 N -4.85 0.00 0.00 3.45 1.16 -1.26 -4.70 117.46 111.26 3a31 n PHE 469 Ca 0.29 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.72 3a31 n PHE 469 Cb 0.94 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 38.53 3a31 n PHE 469 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17