#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4req s LEU 21 N 0.00 4.34 -0.18 3.22 2.96 -1.26 -4.97 118.68 122.79 4req s LEU 21 Ca 0.00 2.32 -0.19 0.00 -0.22 0.00 0.00 54.13 56.04 4req s LEU 21 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 4req s LEU 21 CO 0.00 -0.93 0.53 -0.55 -1.32 0.00 0.00 176.35 174.08 4req s SER 22 N 3.32 6.60 0.00 3.68 0.15 -1.26 -4.95 113.70 121.25 4req s SER 22 Ca 0.75 0.72 0.00 0.00 0.70 0.00 0.00 55.95 58.13 4req s SER 22 Cb -0.35 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 4req s SER 22 CO 0.31 -0.16 0.00 0.18 1.20 0.00 0.00 173.24 174.77 4req n LEU 23 N 4.63 0.00 0.18 3.45 4.77 -1.26 -4.73 117.00 124.04 4req n LEU 23 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 4req n LEU 23 Cb 0.50 -0.05 0.31 0.00 -2.33 0.00 0.00 43.42 41.85 4req n LEU 23 CO 0.42 -0.42 0.65 0.00 -1.33 0.00 0.00 177.39 176.72 4req h ALA 24 N -0.22 0.99 0.00 -1.18 0.00 -1.95 -3.22 119.26 113.68 4req h ALA 24 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 4req h ALA 24 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 4req h ALA 24 CO 0.00 0.52 0.00 0.78 0.00 0.00 0.00 179.25 180.55 4req h GLY 25 N 2.03 0.00 1.83 0.00 0.00 -1.96 -2.66 103.07 102.32 4req h GLY 25 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 4req h GLY 25 CO 0.05 0.00 -0.12 1.22 0.00 0.00 0.00 176.54 177.69 4req n ASP 26 N -2.74 0.74 -4.44 0.19 9.92 -1.22 -4.88 116.55 114.11 4req n ASP 26 Ca -0.02 0.48 -0.24 0.00 -0.53 0.00 0.00 54.79 54.47 4req n ASP 26 Cb 0.08 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 39.87 4req n ASP 26 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 4req s PHE 27 N -3.10 2.23 0.47 1.24 0.08 -1.00 -5.12 117.98 112.78 4req s PHE 27 Ca 0.10 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.56 4req s PHE 27 Cb 0.13 -1.02 -0.08 0.00 -0.57 0.00 0.00 43.02 41.47 4req s PHE 27 CO 0.62 0.61 1.14 -2.30 -0.10 0.00 0.00 175.22 175.18 4req n PRO 28 N -0.28 1.51 -1.90 0.24 -0.01 -1.26 -4.84 135.00 128.47 4req n PRO 28 Ca -0.08 0.55 -0.42 0.00 -0.01 0.00 0.00 63.50 63.53 4req n PRO 28 Cb 0.59 -2.25 -0.03 0.00 -0.01 0.00 0.00 33.50 31.80 4req n PRO 28 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 4req s LYS 29 N -2.33 4.02 0.32 -0.52 2.20 -1.26 -4.94 119.74 117.23 4req s LYS 29 Ca 0.66 2.20 -0.27 0.00 -0.36 0.00 0.00 55.97 58.20 4req s LYS 29 Cb -0.50 -4.08 -0.09 0.00 -1.51 0.00 0.00 37.83 31.66 4req s LYS 29 CO 0.54 -1.06 1.07 0.00 -0.36 0.00 0.00 175.35 175.54 4req s ALA 30 N 4.71 3.28 0.33 3.13 0.00 -1.26 -5.04 121.76 126.91 4req s ALA 30 Ca 0.80 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.64 4req s ALA 30 Cb -0.34 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 4req s ALA 30 CO 0.33 -0.15 0.01 0.95 0.00 0.00 0.00 175.76 176.90 4req s THR 31 N -1.36 2.67 0.11 0.00 -4.23 -1.26 -5.05 115.64 106.52 4req s THR 31 Ca 0.49 -1.98 -0.21 0.00 -1.18 0.00 0.00 61.69 58.82 4req s THR 31 Cb -0.28 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.70 4req s THR 31 CO 0.35 -0.22 1.74 -0.08 -0.54 0.00 0.00 174.62 175.87 4req h GLU 32 N 1.82 0.06 -0.43 3.99 4.81 -2.00 -2.76 114.58 120.07 4req h GLU 32 Ca -0.43 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 4req h GLU 32 Cb 1.25 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 4req h GLU 32 CO 0.66 0.04 -0.31 0.93 -0.73 0.00 0.00 179.01 179.61 4req h GLU 33 N 0.07 -0.21 -0.25 1.92 5.08 -1.98 -0.75 114.58 118.46 4req h GLU 33 Ca 0.06 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 4req h GLU 33 Cb 0.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 4req h GLU 33 CO -0.08 -0.14 0.10 1.96 -1.00 0.00 0.00 179.01 179.85 4req h GLN 34 N -0.22 0.22 -0.37 2.33 4.20 -1.95 -1.00 115.11 118.32 4req h GLN 34 Ca 0.19 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.89 4req h GLN 34 Cb 0.53 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 4req h GLN 34 CO -0.56 0.14 0.24 2.35 -0.67 0.00 0.00 178.83 180.34 4req h TRP 35 N 0.22 0.47 -0.47 2.96 7.01 -1.12 -1.48 115.95 123.55 4req h TRP 35 Ca 0.11 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.19 4req h TRP 35 Cb 0.06 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 4req h TRP 35 CO -0.11 0.30 0.13 0.93 -2.79 0.00 0.00 178.44 176.90 4req h GLU 36 N 0.50 0.28 -0.77 2.65 5.08 -0.91 0.30 114.58 121.71 4req h GLU 36 Ca 0.14 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 4req h GLU 36 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 4req h GLU 36 CO -0.03 0.18 0.34 0.00 -1.00 0.00 0.00 179.01 178.50 4req h ARG 37 N 0.28 1.13 -0.73 2.33 3.08 -0.95 0.13 114.38 119.64 4req h ARG 37 Ca 0.23 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 4req h ARG 37 Cb 0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 4req h ARG 37 CO -0.27 0.90 0.33 0.93 -1.07 0.00 0.00 179.97 180.79 4req h GLU 38 N 1.09 1.07 -0.31 0.04 4.39 -0.15 -1.64 114.58 119.07 4req h GLU 38 Ca 0.26 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 4req h GLU 38 Cb 0.16 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 4req h GLU 38 CO -0.03 0.85 0.13 0.28 -1.16 0.00 0.00 179.01 179.08 4req h VAL 39 N 1.04 1.18 -0.21 3.13 2.07 -0.18 -2.99 116.25 120.30 4req h VAL 39 Ca 0.25 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.29 4req h VAL 39 Cb 0.15 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 4req h VAL 39 CO -0.03 0.19 -0.21 -0.33 0.02 0.00 0.00 177.57 177.21 4req h GLU 40 N 0.36 -0.23 -0.81 1.57 5.08 -0.55 -2.69 114.58 117.31 4req h GLU 40 Ca 0.10 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 4req h GLU 40 Cb 0.17 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 4req h GLU 40 CO -0.01 -0.15 0.43 0.87 -1.00 0.00 0.00 179.01 179.15 4req h LYS 41 N -0.23 0.66 -0.45 2.33 1.57 -1.16 -2.04 116.57 117.25 4req h LYS 41 Ca 0.13 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 4req h LYS 41 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 4req h LYS 41 CO -0.34 0.44 -0.23 0.28 -0.57 0.00 0.00 179.45 179.03 4req h VAL 42 N 0.68 1.27 0.00 0.50 2.07 -1.37 -2.97 116.25 116.43 4req h VAL 42 Ca 0.42 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.56 4req h VAL 42 Cb 0.49 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 4req h VAL 42 CO -0.30 0.47 -0.17 -0.07 0.02 0.00 0.00 177.57 177.51 4req h LEU 43 N 0.79 0.00 0.00 2.57 4.07 -1.26 -3.23 115.31 118.26 4req h LEU 43 Ca 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.01 4req h LEU 43 Cb 0.79 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.53 4req h LEU 43 CO 0.07 0.03 -0.83 0.78 -1.08 0.00 0.00 178.44 177.40 4req h ASN 44 N 0.00 0.00 -1.74 -0.43 2.35 -1.39 -3.46 115.58 110.92 4req h ASN 44 Ca 0.00 -0.09 -0.69 0.00 -0.55 0.00 0.00 56.30 54.97 4req h ASN 44 Cb 0.76 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.15 4req h ASN 44 CO 0.00 0.04 0.98 0.54 -1.65 0.00 0.00 177.43 177.34 4req n ARG 45 N -2.49 1.56 -0.69 0.81 1.74 -1.12 -0.57 116.66 115.89 4req n ARG 45 Ca 0.01 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 4req n ARG 45 Cb 0.51 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 4req n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4req n GLY 46 N 4.27 0.84 3.82 -0.13 0.00 -1.26 -5.04 105.19 107.69 4req n GLY 46 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 4req n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4req s ARG 47 N -0.31 3.79 0.82 1.61 0.52 0.26 -5.07 118.95 120.58 4req s ARG 47 Ca 0.00 -0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 54.98 4req s ARG 47 Cb 0.00 -3.29 0.07 0.00 0.52 0.00 0.00 34.95 32.26 4req s ARG 47 CO 0.00 0.57 1.06 -0.35 0.02 0.00 0.00 175.30 176.60 4req n PRO 48 N 2.60 0.09 0.13 3.54 -0.04 -1.26 -4.86 135.00 135.20 4req n PRO 48 Ca -0.18 0.10 0.19 0.00 -0.04 0.00 0.00 63.50 63.58 4req n PRO 48 Cb 0.54 -2.32 0.77 0.00 -0.04 0.00 0.00 33.50 32.45 4req n PRO 48 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 4req h PRO 49 N -1.01 0.00 -0.03 0.54 0.11 -1.97 -1.00 132.00 128.65 4req h PRO 49 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 4req h PRO 49 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 4req h PRO 49 CO 0.44 0.00 -0.12 0.39 -0.21 0.00 0.00 178.00 178.50 4req n GLU 50 N -3.72 2.01 -0.90 1.05 4.71 -1.26 -4.35 120.64 118.18 4req n GLU 50 Ca 0.05 -1.68 -0.02 0.00 -0.01 0.00 0.00 57.16 55.50 4req n GLU 50 Cb 0.53 -1.46 0.17 0.00 -1.01 0.00 0.00 31.44 29.67 4req n GLU 50 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 4req n LYS 51 N 0.99 2.00 -2.58 3.49 5.02 -0.38 -5.05 118.16 121.64 4req n LYS 51 Ca 0.13 -3.42 -0.41 0.00 -2.02 0.00 0.00 58.31 52.59 4req n LYS 51 Cb 0.56 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 4req n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 4req s GLN 52 N -3.32 4.65 0.01 1.97 -1.52 -1.23 -4.68 119.66 115.54 4req s GLN 52 Ca 0.42 1.64 -0.12 0.00 -1.95 0.00 0.00 55.36 55.35 4req s GLN 52 Cb 0.39 -3.29 -0.05 0.00 -0.22 0.00 0.00 33.01 29.83 4req s GLN 52 CO -0.03 0.16 0.37 -0.51 -0.25 0.00 0.00 175.29 175.03 4req s LEU 53 N -0.44 4.43 0.64 2.90 1.43 -1.26 -5.10 118.68 121.28 4req s LEU 53 Ca 0.48 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 4req s LEU 53 Cb -0.28 -2.62 0.07 0.00 0.03 0.00 0.00 46.19 43.38 4req s LEU 53 CO 0.34 0.30 0.90 0.42 0.23 0.00 0.00 176.35 178.53 4req s THR 54 N -1.16 2.43 0.10 5.49 -4.23 -1.26 -4.91 115.64 112.11 4req s THR 54 Ca 0.25 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.01 4req s THR 54 Cb -0.15 -2.90 -0.11 0.00 1.34 0.00 0.00 72.50 70.67 4req s THR 54 CO 0.13 0.00 1.75 0.15 -0.54 0.00 0.00 174.62 176.12 4req h PHE 55 N -0.28 0.08 -0.76 3.99 3.57 -1.98 -1.63 116.94 119.93 4req h PHE 55 Ca -0.41 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.24 4req h PHE 55 Cb 1.29 -0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.91 4req h PHE 55 CO 0.20 0.05 0.27 0.00 -2.23 0.00 0.00 178.31 176.60 4req h ALA 56 N 1.04 1.07 -0.26 2.41 0.00 -1.99 0.24 119.26 121.77 4req h ALA 56 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 4req h ALA 56 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 4req h ALA 56 CO -0.02 -0.26 0.04 0.93 0.00 0.00 0.00 179.25 179.94 4req h GLU 57 N 0.39 0.43 -0.23 0.00 5.08 -1.90 -2.38 114.58 115.97 4req h GLU 57 Ca 0.43 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 4req h GLU 57 Cb 0.69 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 4req h GLU 57 CO -0.45 0.55 0.11 0.00 -1.00 0.00 0.00 179.01 178.23 4req h LEU 59 N 0.23 -0.38 -0.52 0.00 5.85 -0.51 -1.18 115.31 118.81 4req h LEU 59 Ca 0.09 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.99 4req h LEU 59 Cb 0.03 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 4req h LEU 59 CO -0.07 -0.17 -0.01 0.11 -0.34 0.00 0.00 178.44 177.96 4req h LYS 60 N -0.17 0.10 -0.24 1.25 1.57 -1.24 -1.06 116.57 116.78 4req h LYS 60 Ca 0.07 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 4req h LYS 60 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 4req h LYS 60 CO -0.18 0.07 -0.03 0.00 -0.57 0.00 0.00 179.45 178.73 4req h ARG 61 N 0.10 0.36 -0.02 3.15 3.08 -1.00 -2.71 114.38 117.34 4req h ARG 61 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.25 4req h ARG 61 Cb 0.41 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.40 4req h ARG 61 CO -0.45 0.41 0.00 1.28 -1.07 0.00 0.00 179.97 180.14 4req n LEU 62 N -4.31 1.14 -4.72 3.04 4.77 -0.48 -4.87 117.00 111.57 4req n LEU 62 Ca 0.00 -0.39 -0.40 0.00 -0.03 0.00 0.00 56.01 55.20 4req n LEU 62 Cb 0.23 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 4req n LEU 62 CO 0.38 0.19 0.40 -0.89 -1.33 0.00 0.00 177.39 176.14 4req s THR 63 N -1.99 5.01 -0.13 -5.08 2.01 -0.75 -4.12 115.64 110.59 4req s THR 63 Ca 0.40 1.45 -0.08 0.00 0.31 0.00 0.00 61.69 63.77 4req s THR 63 Cb 0.21 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 4req s THR 63 CO 0.34 0.27 0.15 -0.69 -0.69 0.00 0.00 174.62 174.00 4req s VAL 64 N 0.67 5.48 -0.20 3.82 1.01 -0.01 -4.93 120.40 126.24 4req s VAL 64 Ca 0.37 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 4req s VAL 64 Cb -0.18 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 4req s VAL 64 CO 0.18 0.59 -0.10 -1.00 0.00 0.00 0.00 175.10 174.77 4req s HIS 65 N -0.81 2.88 0.93 5.22 3.76 -1.26 -0.67 115.29 125.35 4req s HIS 65 Ca 0.14 -1.10 -0.14 0.00 -0.15 0.00 0.00 55.06 53.81 4req s HIS 65 Cb -0.12 -2.02 0.16 0.00 1.11 0.00 0.00 32.58 31.72 4req s HIS 65 CO 0.03 -0.58 1.23 0.95 -0.85 0.00 0.00 174.74 175.53 4req s THR 66 N 1.27 1.96 0.17 1.30 -4.23 -0.04 -4.89 115.64 111.18 4req s THR 66 Ca 0.03 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.40 4req s THR 66 Cb -0.14 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 70.86 4req s THR 66 CO -0.05 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.35 4req h VAL 67 N -1.53 0.83 -0.34 2.29 2.07 -1.97 -2.63 116.25 114.97 4req h VAL 67 Ca -0.46 -0.10 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 4req h VAL 67 Cb 1.28 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 4req h VAL 67 CO 0.50 0.05 0.19 -0.90 0.02 0.00 0.00 177.57 177.44 4req n ASP 68 N -5.04 3.17 -1.43 0.57 5.68 -1.26 -4.92 116.55 113.33 4req n ASP 68 Ca 0.04 -2.54 -0.13 0.00 -0.50 0.00 0.00 54.79 51.65 4req n ASP 68 Cb 0.18 -0.61 -0.02 0.00 -1.14 0.00 0.00 41.12 39.53 4req n ASP 68 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 4req n GLY 69 N -0.04 0.10 3.70 6.12 0.00 -0.99 -4.98 105.19 109.10 4req n GLY 69 Ca 0.20 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 4req n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 70 N -2.63 5.04 -0.19 -0.61 -1.09 -1.26 -4.81 121.20 115.65 4req s ILE 70 Ca 0.00 1.37 -0.18 0.00 -2.23 0.00 0.00 60.65 59.61 4req s ILE 70 Cb 0.00 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 4req s ILE 70 CO 0.00 0.20 0.49 -1.81 -1.23 0.00 0.00 174.94 172.59 4req s ASP 71 N 0.90 6.56 -0.22 3.58 1.11 -1.26 -0.86 116.67 126.48 4req s ASP 71 Ca 0.35 0.67 0.01 0.00 0.18 0.00 0.00 52.55 53.76 4req s ASP 71 Cb -0.17 -2.28 0.03 0.00 1.07 0.00 0.00 42.92 41.57 4req s ASP 71 CO 0.15 -0.13 -0.14 -0.63 1.18 0.00 0.00 175.17 175.61 4req s ILE 72 N 1.40 2.36 0.53 0.77 1.01 0.16 -4.98 121.20 122.44 4req s ILE 72 Ca 0.23 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 4req s ILE 72 Cb -0.15 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.17 4req s ILE 72 CO 0.09 0.31 0.80 0.68 0.00 0.00 0.00 174.94 176.82 4req s VAL 73 N 1.26 3.80 0.12 2.92 -7.23 -1.26 -0.83 120.40 119.18 4req s VAL 73 Ca 0.00 -0.22 0.15 0.00 -1.81 0.00 0.00 61.98 60.11 4req s VAL 73 Cb -0.16 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.37 4req s VAL 73 CO -0.08 -0.41 1.59 1.55 -0.31 0.00 0.00 175.10 177.44 4req h PRO 74 N 0.08 0.00 -4.36 4.82 0.13 -1.93 -3.45 132.00 127.29 4req h PRO 74 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 4req h PRO 74 Cb 1.25 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.07 4req h PRO 74 CO 0.59 0.53 -0.78 1.41 -0.23 0.00 0.00 178.00 179.52 4req s MET 75 N -3.36 0.80 -0.02 0.86 1.75 -1.26 -5.14 119.30 112.92 4req s MET 75 Ca 0.01 -0.22 0.05 0.00 -1.25 0.00 0.00 55.69 54.28 4req s MET 75 Cb 0.10 -0.77 -0.03 0.00 2.84 0.00 0.00 34.83 36.98 4req s MET 75 CO 0.73 0.06 -0.16 0.71 -0.65 0.00 0.00 175.02 175.70 4req s TYR 76 N 0.34 2.63 0.36 4.11 1.51 -1.26 -5.06 117.35 119.97 4req s TYR 76 Ca -0.05 -0.21 0.09 0.00 -1.01 0.00 0.00 57.07 55.89 4req s TYR 76 Cb -0.09 -1.58 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 4req s TYR 76 CO 0.00 0.18 -0.04 1.03 -1.11 0.00 0.00 175.55 175.61 4req s ARG 77 N -0.89 1.92 0.33 -0.62 0.52 -1.26 -4.85 118.95 114.10 4req s ARG 77 Ca 0.12 -1.93 0.11 0.00 -0.52 0.00 0.00 55.73 53.50 4req s ARG 77 Cb -0.11 -1.75 0.91 0.00 0.52 0.00 0.00 34.95 34.53 4req s ARG 77 CO 0.02 0.09 1.73 -1.35 0.02 0.00 0.00 175.30 175.80 4req h PRO 78 N 1.89 0.54 0.00 3.54 0.11 -1.97 -1.96 132.00 134.15 4req h PRO 78 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 4req h PRO 78 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 4req h PRO 78 CO 0.72 0.36 0.00 1.57 -0.21 0.00 0.00 178.00 180.44 4req h LYS 79 N 0.56 0.00 0.00 1.05 2.10 -2.00 -2.74 116.57 115.54 4req h LYS 79 Ca 0.64 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.29 4req h LYS 79 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 4req h LYS 79 CO -0.46 0.00 -0.11 -0.25 -2.00 0.00 0.00 179.45 176.63 4req n ASP 80 N -2.49 0.72 -4.52 7.07 8.00 -0.74 -4.83 116.55 119.76 4req n ASP 80 Ca -0.01 0.48 -0.30 0.00 0.71 0.00 0.00 54.79 55.67 4req n ASP 80 Cb 0.09 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 4req n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4req s ALA 81 N -3.10 2.79 0.52 2.24 0.00 -1.04 -3.40 121.76 119.79 4req s ALA 81 Ca 0.10 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 4req s ALA 81 Cb 0.13 -0.84 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 4req s ALA 81 CO 0.61 0.60 1.20 -1.25 0.00 0.00 0.00 175.76 176.92 4req s PRO 82 N -1.79 3.38 0.12 0.00 0.04 -1.26 -4.95 135.00 130.54 4req s PRO 82 Ca 0.18 1.82 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 4req s PRO 82 Cb -0.11 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 4req s PRO 82 CO 0.09 -0.87 1.62 0.87 0.04 0.00 0.00 177.00 178.75 4req h LYS 83 N 1.49 0.54 -5.12 4.56 6.56 -1.97 -3.38 116.57 119.25 4req h LYS 83 Ca -0.50 -0.12 -0.63 0.00 -1.06 0.00 0.00 60.65 58.34 4req h LYS 83 Cb 1.27 -0.07 -0.15 0.00 -0.57 0.00 0.00 32.23 32.71 4req h LYS 83 CO 0.58 0.58 -0.33 0.15 -2.06 0.00 0.00 179.45 178.37 4req s LYS 84 N -5.34 4.03 0.34 3.15 1.02 -1.26 -4.98 119.74 116.70 4req s LYS 84 Ca -0.13 -0.07 0.18 0.00 0.02 0.00 0.00 55.97 55.97 4req s LYS 84 Cb 0.09 -3.63 0.47 0.00 -0.52 0.00 0.00 37.83 34.24 4req s LYS 84 CO 0.75 -0.18 1.63 -0.07 -0.92 0.00 0.00 175.35 176.56 4req h LEU 85 N 8.29 0.00 0.00 3.17 3.38 -2.01 -3.50 115.31 124.64 4req h LEU 85 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 4req h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 4req h LEU 85 CO 0.63 0.41 0.00 0.61 0.09 0.00 0.00 178.44 180.18 4req n GLY 86 N 0.62 0.08 3.08 0.83 0.00 -1.26 -4.89 105.19 103.65 4req n GLY 86 Ca 0.01 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 4req n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 4req s TYR 87 N -2.30 0.93 0.43 1.61 1.51 -1.26 -5.02 117.35 113.25 4req s TYR 87 Ca 0.00 -0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 55.50 4req s TYR 87 Cb 0.00 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.21 4req s TYR 87 CO 0.00 -0.01 1.14 -1.25 -1.11 0.00 0.00 175.55 174.32 4req s PRO 88 N -0.99 3.91 0.00 -1.71 0.04 -1.26 -3.63 135.00 131.36 4req s PRO 88 Ca -0.01 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.75 4req s PRO 88 Cb -0.07 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.99 4req s PRO 88 CO 0.01 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.04 4req n GLY 89 N 0.44 0.75 2.95 0.56 0.00 0.94 -4.84 105.19 105.99 4req n GLY 89 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 4req n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 90 N -3.08 0.23 0.40 1.61 1.01 -1.24 -4.91 120.40 114.43 4req s VAL 90 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 61.98 61.24 4req s VAL 90 Cb 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 36.00 4req s VAL 90 CO 0.00 -0.17 1.17 0.00 0.00 0.00 0.00 175.10 176.10 4req n ALA 91 N 2.38 0.80 1.72 5.51 0.00 -1.26 -1.07 120.51 128.59 4req n ALA 91 Ca -0.17 0.28 0.11 0.00 0.00 0.00 0.00 53.44 53.66 4req n ALA 91 Cb 0.57 -2.18 0.65 0.00 0.00 0.00 0.00 19.45 18.49 4req n ALA 91 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 4req n PRO 92 N 0.21 0.86 -0.75 0.00 -0.04 -1.26 -4.79 135.00 129.23 4req n PRO 92 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 4req n PRO 92 Cb 0.38 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 4req n PRO 92 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4req n PHE 93 N -0.90 0.00 -0.23 0.54 3.72 -0.23 -4.16 117.46 116.20 4req n PHE 93 Ca 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.55 4req n PHE 93 Cb 0.08 -0.28 0.05 0.00 -0.94 0.00 0.00 39.48 38.39 4req n PHE 93 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 4req h THR 94 N 0.00 0.24 0.00 4.37 2.02 -1.83 -1.63 112.91 116.08 4req h THR 94 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 4req h THR 94 Cb 0.00 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.65 4req h THR 94 CO 0.00 0.00 -0.03 0.03 0.37 0.00 0.00 175.52 175.89 4req h ARG 95 N -0.06 0.00 0.00 6.66 3.08 -1.88 -3.41 114.38 118.77 4req h ARG 95 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 4req h ARG 95 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 4req h ARG 95 CO -0.72 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 178.62 4req n GLY 96 N -0.48 3.71 0.10 0.04 0.00 -0.61 -4.19 105.19 103.74 4req n GLY 96 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 4req n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 4req n THR 97 N -1.29 1.49 -3.17 2.61 -1.04 -1.26 -0.04 114.28 111.58 4req n THR 97 Ca 0.00 0.04 -0.40 0.00 -2.04 0.00 0.00 64.05 61.65 4req n THR 97 Cb 0.00 -2.24 -0.07 0.00 -1.82 0.00 0.00 70.33 66.20 4req n THR 97 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 4req s THR 98 N -2.63 5.02 0.00 12.58 2.01 -1.26 -3.29 115.64 128.07 4req s THR 98 Ca -0.28 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.41 4req s THR 98 Cb 0.06 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 4req s THR 98 CO 0.41 0.03 1.34 -0.69 -0.69 0.00 0.00 174.62 175.02 4req s VAL 99 N 2.43 3.82 0.14 3.82 1.01 -1.26 -4.88 120.40 125.48 4req s VAL 99 Ca 0.24 1.22 -0.22 0.00 0.00 0.00 0.00 61.98 63.22 4req s VAL 99 Cb -0.15 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 4req s VAL 99 CO 0.09 0.01 0.68 -0.13 0.00 0.00 0.00 175.10 175.75 4req s ARG 100 N 2.14 4.35 0.00 2.72 0.52 -1.26 -4.98 118.95 122.44 4req s ARG 100 Ca 0.62 0.92 0.29 0.00 -0.52 0.00 0.00 55.73 57.04 4req s ARG 100 Cb -0.30 -3.19 1.19 0.00 0.52 0.00 0.00 34.95 33.17 4req s ARG 100 CO 0.26 0.57 1.83 0.27 0.02 0.00 0.00 175.30 178.25 4req n ASN 101 N 1.49 0.92 0.00 0.23 6.94 -1.26 -4.85 115.26 118.73 4req n ASN 101 Ca -0.07 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.39 4req n ASN 101 Cb 0.50 0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 4req n ASN 101 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 4req n GLY 102 N 1.20 0.45 3.85 4.83 0.00 -1.26 -5.08 105.19 109.17 4req n GLY 102 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 4req n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 4req s ASP 103 N -2.76 6.76 0.22 1.61 1.01 -1.26 -4.71 116.67 117.54 4req s ASP 103 Ca 0.00 1.33 -0.07 0.00 0.71 0.00 0.00 52.55 54.52 4req s ASP 103 Cb 0.00 -2.40 0.31 0.00 1.01 0.00 0.00 42.92 41.84 4req s ASP 103 CO 0.00 -0.26 1.81 0.00 0.21 0.00 0.00 175.17 176.92 4req h MET 104 N 2.04 0.71 -5.66 8.23 -0.00 -1.91 -3.34 114.93 115.00 4req h MET 104 Ca -0.48 -0.04 -0.64 0.00 -0.00 0.00 0.00 59.70 58.53 4req h MET 104 Cb 1.18 -0.16 -0.13 0.00 -0.00 0.00 0.00 31.60 32.49 4req h MET 104 CO 0.64 0.47 1.34 -0.51 -0.00 0.00 0.00 176.91 178.86 4req s ASP 105 N -5.61 6.61 -0.16 -0.10 1.01 -1.26 -4.63 116.67 112.53 4req s ASP 105 Ca -0.13 -1.82 -0.05 0.00 0.71 0.00 0.00 52.55 51.26 4req s ASP 105 Cb 0.17 -2.51 -0.24 0.00 1.01 0.00 0.00 42.92 41.36 4req s ASP 105 CO 0.77 -1.29 0.21 0.00 0.21 0.00 0.00 175.17 175.07 4req n ALA 106 N 7.91 1.01 -2.42 5.23 0.00 -1.25 -4.97 120.51 126.01 4req n ALA 106 Ca 0.32 -0.71 -0.25 0.00 0.00 0.00 0.00 53.44 52.80 4req n ALA 106 Cb 0.49 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 4req n ALA 106 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 4req s TRP 107 N -2.54 2.43 -0.21 0.00 -2.14 -1.26 -5.01 118.94 110.22 4req s TRP 107 Ca -0.26 -0.64 -0.17 0.00 2.66 0.00 0.00 56.10 57.70 4req s TRP 107 Cb 0.07 -1.96 -0.04 0.00 -3.10 0.00 0.00 33.47 28.45 4req s TRP 107 CO 0.72 0.05 0.44 0.34 -2.66 0.00 0.00 176.95 175.85 4req s ASP 108 N -3.99 6.47 -0.51 -2.66 2.15 -1.02 -4.97 116.67 112.14 4req s ASP 108 Ca 0.39 0.56 -0.25 0.00 0.43 0.00 0.00 52.55 53.67 4req s ASP 108 Cb 0.02 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.42 4req s ASP 108 CO 0.22 -0.12 0.95 -0.69 -0.17 0.00 0.00 175.17 175.36 4req s VAL 109 N 1.50 4.40 -0.45 1.11 1.01 -1.26 -0.62 120.40 126.08 4req s VAL 109 Ca 0.21 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.65 4req s VAL 109 Cb -0.15 -4.50 0.10 0.00 0.00 0.00 0.00 36.38 31.83 4req s VAL 109 CO 0.09 -1.00 0.31 -0.60 0.00 0.00 0.00 175.10 173.90 4req s ARG 110 N 3.94 2.54 0.11 2.72 3.52 -0.67 -0.33 118.95 130.78 4req s ARG 110 Ca 0.35 -1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.01 4req s ARG 110 Cb -0.11 -3.87 -0.06 0.00 -1.56 0.00 0.00 34.95 29.35 4req s ARG 110 CO 0.23 -1.09 1.12 0.00 -0.81 0.00 0.00 175.30 174.75 4req s ALA 111 N 1.39 3.35 -0.23 6.12 0.00 -0.97 -4.22 121.76 127.20 4req s ALA 111 Ca 0.05 0.79 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 4req s ALA 111 Cb -0.25 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 4req s ALA 111 CO 0.01 -0.29 0.83 -1.17 0.00 0.00 0.00 175.76 175.14 4req s LEU 112 N 0.31 4.09 -0.18 0.00 2.96 -1.26 -1.85 118.68 122.75 4req s LEU 112 Ca 0.53 1.05 0.01 0.00 -0.22 0.00 0.00 54.13 55.50 4req s LEU 112 Cb -0.28 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.24 4req s LEU 112 CO 0.32 -0.50 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.68 4req s HIS 113 N 2.76 2.59 -0.00 5.38 3.76 -0.83 -4.98 115.29 123.96 4req s HIS 113 Ca 0.35 -1.57 0.01 0.00 -0.15 0.00 0.00 55.06 53.70 4req s HIS 113 Cb -0.15 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.75 4req s HIS 113 CO 0.08 -0.77 0.72 0.39 -0.85 0.00 0.00 174.74 174.31 4req n GLU 114 N 4.66 1.11 -2.79 1.40 1.02 -1.26 -1.45 120.64 123.33 4req n GLU 114 Ca -0.19 -0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 55.59 4req n GLU 114 Cb 0.49 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 4req n GLU 114 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 4req s ASP 115 N -0.48 7.00 0.14 1.62 -1.08 -1.26 -4.19 116.67 118.42 4req s ASP 115 Ca 0.01 1.24 -0.18 0.00 -0.52 0.00 0.00 52.55 53.10 4req s ASP 115 Cb 0.01 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.99 4req s ASP 115 CO 0.00 -0.52 1.72 -0.65 0.52 0.00 0.00 175.17 176.24 4req h PRO 116 N 7.44 0.11 -6.14 4.34 0.11 -1.88 -3.42 132.00 132.55 4req h PRO 116 Ca -0.24 -0.01 -0.74 0.00 0.11 0.00 0.00 66.00 65.12 4req h PRO 116 Cb 1.10 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.20 4req h PRO 116 CO 0.89 0.07 0.93 -3.47 -0.21 0.00 0.00 178.00 176.21 4req n ASP 117 N -5.13 2.38 0.04 -2.05 -0.08 -1.26 -4.73 116.55 105.72 4req n ASP 117 Ca -0.01 1.05 -0.07 0.00 -1.51 0.00 0.00 54.79 54.26 4req n ASP 117 Cb 0.13 -1.14 0.11 0.00 2.34 0.00 0.00 41.12 42.56 4req n ASP 117 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 4req h GLU 118 N 7.39 0.42 -0.07 -0.67 4.57 -1.97 -2.20 114.58 122.04 4req h GLU 118 Ca -0.46 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 57.44 4req h GLU 118 Cb 1.32 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.93 4req h GLU 118 CO 0.97 0.83 -0.08 0.87 -1.18 0.00 0.00 179.01 180.42 4req h LYS 119 N 0.33 0.17 0.28 1.92 1.79 -1.96 -2.49 116.57 116.61 4req h LYS 119 Ca 0.01 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 4req h LYS 119 Cb 1.01 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.66 4req h LYS 119 CO 0.09 0.64 -0.20 0.35 -1.08 0.00 0.00 179.45 179.25 4req h PHE 120 N -0.28 -0.52 -0.64 -1.35 3.04 -1.95 -2.46 116.94 112.78 4req h PHE 120 Ca 0.01 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.97 4req h PHE 120 Cb 0.62 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 4req h PHE 120 CO 0.10 -0.31 0.41 1.15 -2.02 0.00 0.00 178.31 177.65 4req h THR 121 N -0.48 1.13 -0.15 4.41 2.02 -1.48 0.27 112.91 118.64 4req h THR 121 Ca -0.02 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.90 4req h THR 121 Cb 0.41 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 4req h THR 121 CO 0.01 0.15 -0.03 -0.09 0.37 0.00 0.00 175.52 175.93 4req h ARG 122 N 0.83 0.01 -0.35 6.66 2.43 -1.39 0.21 114.38 122.78 4req h ARG 122 Ca 0.24 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 4req h ARG 122 Cb -0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 4req h ARG 122 CO -0.07 0.01 0.08 0.87 -1.51 0.00 0.00 179.97 179.34 4req h LYS 123 N 0.01 0.56 0.18 0.20 1.57 -1.22 -1.77 116.57 116.10 4req h LYS 123 Ca 0.07 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 4req h LYS 123 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 4req h LYS 123 CO -0.14 0.61 -0.15 0.00 -0.57 0.00 0.00 179.45 179.19 4req h ALA 124 N 0.92 -0.33 0.16 3.86 0.00 -0.16 0.72 119.26 124.43 4req h ALA 124 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 4req h ALA 124 Cb 0.31 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 4req h ALA 124 CO 0.00 -0.70 -0.37 0.82 0.00 0.00 0.00 179.25 179.00 4req h ILE 125 N -0.35 0.23 -0.77 0.00 2.04 -0.58 -1.77 117.51 116.30 4req h ILE 125 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 4req h ILE 125 Cb 0.32 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 4req h ILE 125 CO -0.02 0.00 0.40 0.25 0.00 0.00 0.00 178.15 178.77 4req h LEU 126 N -0.63 0.98 0.35 1.44 5.85 -1.04 -1.39 115.31 120.87 4req h LEU 126 Ca 0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 4req h LEU 126 Cb 0.64 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 4req h LEU 126 CO -0.20 0.81 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.30 4req h GLU 127 N 1.09 -0.68 -0.63 1.25 4.81 -0.63 -2.25 114.58 117.54 4req h GLU 127 Ca 0.27 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.61 4req h GLU 127 Cb 0.07 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 4req h GLU 127 CO -0.04 -0.45 0.32 0.78 -0.73 0.00 0.00 179.01 178.88 4req h GLY 128 N -0.70 0.91 1.81 1.92 0.00 -1.24 -2.58 103.07 103.19 4req h GLY 128 Ca -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 4req h GLY 128 CO -0.05 0.10 -0.24 1.41 0.00 0.00 0.00 176.54 177.76 4req h LEU 129 N 0.58 0.22 -0.62 3.11 -0.00 -0.93 -1.99 115.31 115.68 4req h LEU 129 Ca 0.29 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 4req h LEU 129 Cb 0.24 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 4req h LEU 129 CO -0.21 0.47 0.00 -0.33 -0.00 0.00 0.00 178.44 178.37 4req h GLU 130 N 0.21 0.00 -1.62 1.13 5.08 -1.21 -3.36 114.58 114.81 4req h GLU 130 Ca 0.04 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.76 4req h GLU 130 Cb 0.54 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.41 4req h GLU 130 CO 0.04 0.00 -0.22 0.54 -1.00 0.00 0.00 179.01 178.36 4req n ARG 131 N -3.09 3.24 0.00 2.33 1.74 -0.94 -4.97 116.66 114.97 4req n ARG 131 Ca 0.03 -4.22 0.00 0.00 -0.77 0.00 0.00 57.85 52.89 4req n ARG 131 Cb 0.43 -2.26 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 4req n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4req n GLY 132 N -0.51 2.21 3.75 -0.13 0.00 -1.22 -4.90 105.19 104.39 4req n GLY 132 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 4req n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 133 N -2.49 3.33 -0.34 1.61 1.01 -0.79 -4.72 120.40 118.00 4req s VAL 133 Ca 0.00 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.25 4req s VAL 133 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 4req s VAL 133 CO 0.00 0.23 0.30 0.35 0.00 0.00 0.00 175.10 175.99 4req n THR 134 N 1.86 0.00 -3.62 3.92 -2.24 0.55 -4.51 114.28 110.25 4req n THR 134 Ca 0.02 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.34 4req n THR 134 Cb 0.44 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 4req n THR 134 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 4req s SER 135 N -1.52 -0.34 0.12 3.42 1.04 -0.99 -4.23 113.70 111.20 4req s SER 135 Ca 0.03 -0.30 0.09 0.00 0.48 0.00 0.00 55.95 56.25 4req s SER 135 Cb 0.05 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 4req s SER 135 CO 0.25 -0.98 -0.19 -0.76 0.98 0.00 0.00 173.24 172.54 4req s LEU 136 N -2.82 2.65 -0.42 2.42 1.43 -0.99 -2.28 118.68 118.66 4req s LEU 136 Ca 0.05 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 4req s LEU 136 Cb -0.00 -1.50 0.13 0.00 0.03 0.00 0.00 46.19 44.85 4req s LEU 136 CO -0.08 0.18 0.22 -0.22 0.23 0.00 0.00 176.35 176.68 4req s LEU 137 N -2.13 2.53 -0.09 1.79 2.96 -0.77 -1.12 118.68 121.85 4req s LEU 137 Ca 0.17 -2.50 -0.18 0.00 -0.22 0.00 0.00 54.13 51.40 4req s LEU 137 Cb -0.10 -0.97 -0.05 0.00 0.50 0.00 0.00 46.19 45.57 4req s LEU 137 CO 0.10 -0.28 0.48 -0.76 -1.32 0.00 0.00 176.35 174.56 4req s LEU 138 N 0.52 4.32 -0.31 -0.68 1.02 0.79 -1.96 118.68 122.38 4req s LEU 138 Ca 0.17 0.87 -0.17 0.00 0.02 0.00 0.00 54.13 55.01 4req s LEU 138 Cb -0.24 -2.70 -0.02 0.00 0.02 0.00 0.00 46.19 43.26 4req s LEU 138 CO -0.01 0.06 0.48 -0.60 0.02 0.00 0.00 176.35 176.30 4req s ARG 139 N 0.28 3.79 -0.33 1.70 3.52 -0.53 -1.78 118.95 125.60 4req s ARG 139 Ca 0.26 -0.02 -0.06 0.00 -0.13 0.00 0.00 55.73 55.77 4req s ARG 139 Cb -0.16 -3.75 0.04 0.00 -1.56 0.00 0.00 34.95 29.52 4req s ARG 139 CO 0.11 -0.51 0.10 0.08 -0.81 0.00 0.00 175.30 174.28 4req s VAL 140 N 2.30 3.80 0.32 7.11 1.01 -0.81 -1.99 120.40 132.13 4req s VAL 140 Ca 0.18 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 4req s VAL 140 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.16 4req s VAL 140 CO 0.12 -0.15 0.90 -1.81 0.00 0.00 0.00 175.10 174.16 4req s ASP 141 N 1.41 0.03 0.26 3.32 1.01 -0.71 -4.41 116.67 117.59 4req s ASP 141 Ca -0.01 -1.01 -0.05 0.00 0.71 0.00 0.00 52.55 52.19 4req s ASP 141 Cb -0.19 0.72 0.30 0.00 1.01 0.00 0.00 42.92 44.76 4req s ASP 141 CO 0.03 -1.45 1.88 1.55 0.21 0.00 0.00 175.17 177.39 4req h PRO 142 N 2.00 1.15 -0.59 8.23 0.13 -1.96 -2.74 132.00 138.22 4req h PRO 142 Ca -0.31 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 4req h PRO 142 Cb 1.24 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.14 4req h PRO 142 CO 0.41 0.84 0.00 -0.40 -0.23 0.00 0.00 178.00 178.62 4req n ASP 143 N -4.34 5.63 0.00 1.44 5.75 -1.26 -4.94 116.55 118.82 4req n ASP 143 Ca 0.09 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.01 4req n ASP 143 Cb 0.10 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 4req n ASP 143 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 4req n ALA 144 N 0.71 0.00 -2.61 2.12 0.00 -1.03 -4.51 120.51 115.18 4req n ALA 144 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 4req n ALA 144 Cb 1.16 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.57 4req n ALA 144 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 4req s ILE 145 N 3.25 4.82 0.34 0.00 1.01 -0.84 -3.70 121.20 126.08 4req s ILE 145 Ca 0.00 1.96 -0.26 0.00 0.00 0.00 0.00 60.65 62.35 4req s ILE 145 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 4req s ILE 145 CO 0.00 0.21 0.98 0.00 0.00 0.00 0.00 174.94 176.13 4req s ALA 146 N 0.74 3.19 0.56 9.38 0.00 -1.26 -1.74 121.76 132.63 4req s ALA 146 Ca 0.48 0.58 0.28 0.00 0.00 0.00 0.00 51.96 53.31 4req s ALA 146 Cb -0.21 -3.21 1.47 0.00 0.00 0.00 0.00 23.12 21.17 4req s ALA 146 CO 0.27 0.07 1.94 -1.35 0.00 0.00 0.00 175.76 176.69 4req h PRO 147 N 3.03 0.00 0.00 0.00 0.11 -1.93 -0.74 132.00 132.47 4req h PRO 147 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 4req h PRO 147 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 4req h PRO 147 CO 0.64 0.00 -0.23 1.05 -0.21 0.00 0.00 178.00 179.25 4req h GLU 148 N 0.00 0.00 -0.00 1.05 9.09 -1.96 -3.30 114.58 119.45 4req h GLU 148 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 4req h GLU 148 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 4req h GLU 148 CO -0.00 0.23 -0.43 0.72 0.05 0.00 0.00 179.01 179.58 4req n HIS 149 N -3.16 0.00 -0.15 2.06 8.25 -0.29 -4.42 115.22 117.51 4req n HIS 149 Ca 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 4req n HIS 149 Cb 0.62 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.62 4req n HIS 149 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 4req h LEU 150 N 0.68 0.11 -0.30 2.41 5.85 -1.63 -0.91 115.31 121.52 4req h LEU 150 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 4req h LEU 150 Cb 0.52 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 4req h LEU 150 CO 0.00 0.09 0.18 -0.78 -0.34 0.00 0.00 178.44 177.59 4req h ASP 151 N 0.29 0.36 -0.45 1.25 3.58 -1.85 -1.87 116.42 117.74 4req h ASP 151 Ca 0.23 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 4req h ASP 151 Cb 0.26 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 4req h ASP 151 CO -0.26 0.31 0.21 -0.08 -2.88 0.00 0.00 179.24 176.55 4req h GLU 152 N 0.38 0.65 0.00 0.28 4.81 -1.73 -2.35 114.58 116.63 4req h GLU 152 Ca 0.11 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 4req h GLU 152 Cb 0.02 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 4req h GLU 152 CO -0.02 0.57 -0.37 -0.39 -0.73 0.00 0.00 179.01 178.06 4req h VAL 153 N 0.58 0.81 -0.21 0.32 -1.51 -1.07 -3.12 116.25 112.04 4req h VAL 153 Ca 0.15 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 4req h VAL 153 Cb 0.14 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 4req h VAL 153 CO -0.02 0.37 0.00 0.18 -1.23 0.00 0.00 177.57 176.87 4req n LEU 154 N -3.43 2.15 -0.22 4.19 4.77 -0.71 -4.35 117.00 119.40 4req n LEU 154 Ca 0.00 -0.90 0.02 0.00 -0.03 0.00 0.00 56.01 55.11 4req n LEU 154 Cb 0.54 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 4req n LEU 154 CO 0.37 0.45 0.87 -1.28 -1.33 0.00 0.00 177.39 176.47 4req h SER 155 N 2.86 -0.15 0.56 -1.43 0.87 -1.36 -2.46 113.55 112.44 4req h SER 155 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 4req h SER 155 Cb 0.63 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 4req h SER 155 CO 0.00 -0.08 -0.39 0.47 -0.53 0.00 0.00 176.83 176.31 4req n ASP 156 N -5.22 0.45 -4.62 6.23 8.00 -1.26 -4.87 116.55 115.26 4req n ASP 156 Ca 0.11 -0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.00 4req n ASP 156 Cb 0.38 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 4req n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4req s VAL 157 N -2.95 3.58 -0.49 2.53 1.01 -0.93 -4.94 120.40 118.21 4req s VAL 157 Ca 0.13 0.63 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 4req s VAL 157 Cb 0.18 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 4req s VAL 157 CO 0.65 -0.30 1.58 -0.76 0.00 0.00 0.00 175.10 176.27 4req s LEU 158 N 5.74 3.44 0.64 3.92 1.43 -1.26 -4.88 118.68 127.71 4req s LEU 158 Ca 0.76 0.63 0.42 0.00 -1.03 0.00 0.00 54.13 54.90 4req s LEU 158 Cb -0.25 -3.16 2.18 0.00 0.03 0.00 0.00 46.19 44.98 4req s LEU 158 CO 0.31 -1.77 2.28 -0.07 0.23 0.00 0.00 176.35 177.34 4req h LEU 159 N 13.64 0.00 -0.10 1.79 3.38 -1.92 -1.15 115.31 130.95 4req h LEU 159 Ca -0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 4req h LEU 159 Cb 1.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 4req h LEU 159 CO 1.13 0.00 -0.93 1.05 0.09 0.00 0.00 178.44 179.79 4req h GLU 160 N 0.00 0.00 0.00 1.13 9.09 -1.90 -3.34 114.58 119.56 4req h GLU 160 Ca -0.00 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.10 4req h GLU 160 Cb 0.12 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.16 4req h GLU 160 CO 0.00 0.93 -2.09 -1.33 0.05 0.00 0.00 179.01 176.56 4req n MET 161 N -3.40 0.67 -4.70 1.06 2.81 -0.98 -4.84 117.12 107.74 4req n MET 161 Ca -0.00 0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.66 4req n MET 161 Cb 0.89 -1.62 -0.17 0.00 -0.71 0.00 0.00 33.22 31.61 4req n MET 161 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 4req s THR 162 N -2.61 1.92 0.22 2.03 2.01 -0.47 -5.05 115.64 113.69 4req s THR 162 Ca -0.08 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 4req s THR 162 Cb 0.07 -1.70 -0.08 0.00 0.01 0.00 0.00 72.50 70.80 4req s THR 162 CO 0.83 0.52 0.99 -0.75 -0.69 0.00 0.00 174.62 175.53 4req s LYS 163 N 0.79 4.76 -0.06 4.92 2.20 -1.26 -4.60 119.74 126.49 4req s LYS 163 Ca -0.09 1.57 0.06 0.00 -0.36 0.00 0.00 55.97 57.15 4req s LYS 163 Cb -0.16 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 4req s LYS 163 CO -0.00 0.36 -0.24 0.08 -0.36 0.00 0.00 175.35 175.19 4req s VAL 164 N -0.89 1.98 0.00 4.02 1.01 -1.23 -2.35 120.40 122.95 4req s VAL 164 Ca 0.43 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.44 4req s VAL 164 Cb -0.27 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 4req s VAL 164 CO 0.34 0.55 -0.17 -0.70 0.00 0.00 0.00 175.10 175.12 4req s GLU 165 N -0.13 1.29 0.25 2.72 2.12 -0.27 -1.30 118.70 123.37 4req s GLU 165 Ca -0.04 -0.67 0.11 0.00 0.36 0.00 0.00 54.97 54.73 4req s GLU 165 Cb -0.14 -1.28 -0.05 0.00 0.26 0.00 0.00 34.13 32.93 4req s GLU 165 CO 0.04 0.34 -0.20 0.14 -0.54 0.00 0.00 175.26 175.04 4req s VAL 166 N -0.52 2.32 -0.10 3.70 -7.23 -1.13 -0.15 120.40 117.29 4req s VAL 166 Ca 0.06 -2.30 -0.24 0.00 -1.81 0.00 0.00 61.98 57.68 4req s VAL 166 Cb -0.07 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.71 4req s VAL 166 CO 0.00 -0.39 0.58 0.72 -0.31 0.00 0.00 175.10 175.70 4req s PHE 167 N -2.44 -0.56 -0.01 2.82 -0.71 -0.73 -3.45 117.98 112.89 4req s PHE 167 Ca 0.27 1.12 -0.06 0.00 -1.04 0.00 0.00 56.93 57.21 4req s PHE 167 Cb -0.05 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 42.05 4req s PHE 167 CO 0.13 -0.46 0.13 0.45 -1.34 0.00 0.00 175.22 174.12 4req s SER 168 N -0.70 0.01 -0.09 1.98 0.15 -1.26 -1.92 113.70 111.86 4req s SER 168 Ca -0.08 -0.13 0.20 0.00 0.70 0.00 0.00 55.95 56.64 4req s SER 168 Cb -0.03 0.22 -0.31 0.00 -1.71 0.00 0.00 66.02 64.20 4req s SER 168 CO 0.06 -0.31 0.33 0.54 1.20 0.00 0.00 173.24 175.06 4req n ARG 169 N 1.75 0.67 0.00 5.44 1.74 -1.26 -4.64 116.66 120.36 4req n ARG 169 Ca -0.21 -0.13 0.02 0.00 -0.77 0.00 0.00 57.85 56.77 4req n ARG 169 Cb 0.56 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 4req n ARG 169 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 4req n TYR 170 N -2.45 0.00 -2.72 -1.55 4.01 -1.26 -4.87 117.16 108.32 4req n TYR 170 Ca -0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 4req n TYR 170 Cb 0.79 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.85 4req n TYR 170 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 4req s ASP 171 N -0.82 -0.43 0.22 7.72 -1.08 -1.26 -5.03 116.67 115.99 4req s ASP 171 Ca 0.04 -0.42 -0.03 0.00 -0.52 0.00 0.00 52.55 51.62 4req s ASP 171 Cb 0.04 0.56 0.22 0.00 -1.46 0.00 0.00 42.92 42.28 4req s ASP 171 CO 0.11 -0.03 1.64 1.56 0.52 0.00 0.00 175.17 178.97 4req h GLN 172 N 4.70 0.71 -0.28 4.34 4.20 -1.92 -2.53 115.11 124.33 4req h GLN 172 Ca -0.01 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 4req h GLN 172 Cb 1.18 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 4req h GLN 172 CO -0.08 0.89 -0.11 0.78 -0.67 0.00 0.00 178.83 179.64 4req h GLY 173 N 0.98 0.61 0.89 3.46 0.00 -1.96 0.22 103.07 107.26 4req h GLY 173 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.89 4req h GLY 173 CO 0.06 0.48 -0.09 0.00 0.00 0.00 0.00 176.54 176.99 4req h ALA 174 N 0.76 -0.19 -0.22 3.60 0.00 -1.97 0.12 119.26 121.37 4req h ALA 174 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 4req h ALA 174 Cb 0.61 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 4req h ALA 174 CO 0.04 -0.62 0.11 0.00 0.00 0.00 0.00 179.25 178.77 4req h ALA 175 N 0.68 0.29 0.04 0.00 0.00 -1.43 -0.81 119.26 118.03 4req h ALA 175 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 4req h ALA 175 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 4req h ALA 175 CO -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.06 4req h ALA 176 N 0.96 -0.06 -0.20 0.00 0.00 -0.36 -2.09 119.26 117.52 4req h ALA 176 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 4req h ALA 176 Cb 0.13 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 4req h ALA 176 CO -0.01 -0.53 -0.14 1.49 0.00 0.00 0.00 179.25 180.05 4req h GLU 177 N -0.06 -0.14 -0.50 0.00 4.57 -0.62 -0.91 114.58 116.92 4req h GLU 177 Ca -0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 4req h GLU 177 Cb 0.05 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 4req h GLU 177 CO 0.00 -0.09 0.21 0.00 -1.18 0.00 0.00 179.01 177.95 4req h ALA 178 N 0.98 0.62 -0.46 2.92 0.00 -1.04 0.38 119.26 122.67 4req h ALA 178 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 4req h ALA 178 Cb 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 4req h ALA 178 CO -0.29 -0.16 0.01 1.25 0.00 0.00 0.00 179.25 180.06 4req h LEU 179 N 0.42 0.80 -0.61 0.00 5.85 -0.98 -2.72 115.31 118.07 4req h LEU 179 Ca 0.23 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 4req h LEU 179 Cb 0.19 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 4req h LEU 179 CO -0.20 0.91 0.02 -0.37 -0.34 0.00 0.00 178.44 178.46 4req h VAL 180 N 0.67 1.27 0.03 1.05 -1.51 -0.78 -2.56 116.25 114.42 4req h VAL 180 Ca 0.13 -1.13 0.02 0.00 -1.23 0.00 0.00 66.70 64.49 4req h VAL 180 Cb 0.49 0.79 -0.04 0.00 -2.13 0.00 0.00 31.29 30.40 4req h VAL 180 CO 0.02 0.41 -0.45 0.28 -1.23 0.00 0.00 177.57 176.60 4req h SER 181 N 0.97 -1.39 -0.54 4.19 0.02 -0.86 0.16 113.55 116.10 4req h SER 181 Ca 0.17 0.15 0.10 0.00 -0.84 0.00 0.00 61.79 61.38 4req h SER 181 Cb 0.54 0.52 -0.11 0.00 0.14 0.00 0.00 62.40 63.49 4req h SER 181 CO 0.03 -0.45 -0.32 0.58 -1.14 0.00 0.00 176.83 175.52 4req h VAL 182 N -0.60 0.20 0.12 2.27 2.07 -1.38 0.20 116.25 119.13 4req h VAL 182 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 4req h VAL 182 Cb 0.62 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 4req h VAL 182 CO -0.28 0.00 -0.24 1.88 0.02 0.00 0.00 177.57 178.94 4req h TYR 183 N -0.17 -0.65 -0.69 1.57 -1.99 -1.02 -2.99 116.97 111.02 4req h TYR 183 Ca 0.22 0.01 0.03 0.00 2.00 0.00 0.00 58.73 61.00 4req h TYR 183 Cb 0.54 0.27 -0.04 0.00 2.00 0.00 0.00 36.73 39.50 4req h TYR 183 CO -0.60 -0.34 0.46 0.93 -0.00 0.00 0.00 178.16 178.60 4req h GLU 184 N -0.45 0.82 -0.02 4.88 5.08 -0.02 -2.97 114.58 121.89 4req h GLU 184 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 4req h GLU 184 Cb 0.47 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.54 4req h GLU 184 CO -0.14 0.54 0.00 -2.13 -1.00 0.00 0.00 179.01 176.28 4req n ARG 185 N -4.46 1.05 -4.01 2.33 0.63 -0.00 -4.87 116.66 107.33 4req n ARG 185 Ca 0.09 -0.08 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 4req n ARG 185 Cb 0.12 -1.08 -0.06 0.00 0.45 0.00 0.00 32.46 31.89 4req n ARG 185 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 4req s SER 186 N -1.13 6.01 -1.03 6.15 0.15 -1.13 -5.01 113.70 117.72 4req s SER 186 Ca 0.08 0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.98 4req s SER 186 Cb 0.04 -1.83 0.30 0.00 -1.71 0.00 0.00 66.02 62.81 4req s SER 186 CO 0.06 0.31 1.35 -0.90 1.20 0.00 0.00 173.24 175.26 4req n ASP 187 N 1.38 6.00 -3.75 5.45 5.68 -1.26 -4.85 116.55 125.20 4req n ASP 187 Ca -0.14 -3.39 -0.12 0.00 -0.50 0.00 0.00 54.79 50.64 4req n ASP 187 Cb 0.53 -1.20 -0.12 0.00 -1.14 0.00 0.00 41.12 39.19 4req n ASP 187 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 4req s LYS 188 N -2.62 0.32 -0.19 0.11 0.00 -1.26 -5.11 119.74 110.99 4req s LYS 188 Ca 0.32 0.51 -0.37 0.00 0.00 0.00 0.00 55.97 56.43 4req s LYS 188 Cb 0.05 0.06 -0.13 0.00 0.00 0.00 0.00 37.83 37.81 4req s LYS 188 CO 0.07 -0.09 1.84 -2.30 0.00 0.00 0.00 175.35 174.87 4req n PRO 189 N 3.47 1.65 -0.32 1.78 -0.02 -1.26 -4.88 135.00 135.42 4req n PRO 189 Ca -0.18 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 4req n PRO 189 Cb 0.56 -2.39 0.11 0.00 -0.02 0.00 0.00 33.50 31.76 4req n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4req n ALA 190 N 6.25 0.16 0.14 3.55 0.00 -1.26 -1.79 120.51 127.57 4req n ALA 190 Ca 0.25 0.95 0.05 0.00 0.00 0.00 0.00 53.44 54.69 4req n ALA 190 Cb 0.21 -0.55 0.23 0.00 0.00 0.00 0.00 19.45 19.34 4req n ALA 190 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 4req n LYS 191 N -5.40 0.05 0.01 0.00 3.00 -1.23 -2.55 118.16 112.05 4req n LYS 191 Ca 0.13 0.49 0.11 0.00 -0.00 0.00 0.00 58.31 59.05 4req n LYS 191 Cb 0.42 -1.64 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 4req n LYS 191 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 4req n ASP 192 N -1.74 0.63 -4.77 3.14 8.00 -0.74 -3.43 116.55 117.64 4req n ASP 192 Ca 0.00 -0.39 -0.36 0.00 0.71 0.00 0.00 54.79 54.76 4req n ASP 192 Cb 0.05 0.95 -0.07 0.00 -0.02 0.00 0.00 41.12 42.03 4req n ASP 192 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 4req s LEU 193 N -3.70 4.26 -0.04 0.64 1.43 -1.06 -4.59 118.68 115.63 4req s LEU 193 Ca 0.04 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.52 4req s LEU 193 Cb 0.15 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 4req s LEU 193 CO 0.82 0.23 -0.24 0.00 0.23 0.00 0.00 176.35 177.39 4req s ALA 194 N 0.02 2.22 -0.01 4.21 0.00 -1.26 -1.92 121.76 125.02 4req s ALA 194 Ca 0.11 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 4req s ALA 194 Cb -0.11 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.37 4req s ALA 194 CO 0.00 0.47 0.36 -0.48 0.00 0.00 0.00 175.76 176.11 4req s LEU 195 N -0.38 0.65 -0.14 0.00 2.34 -1.26 -3.51 118.68 116.37 4req s LEU 195 Ca 0.03 0.12 -0.00 0.00 0.06 0.00 0.00 54.13 54.33 4req s LEU 195 Cb -0.12 1.46 -0.01 0.00 -0.56 0.00 0.00 46.19 46.96 4req s LEU 195 CO 0.02 -0.50 -0.13 0.20 -1.06 0.00 0.00 176.35 174.87 4req s ASN 196 N -1.46 3.94 0.12 1.48 -0.87 -0.42 -2.18 114.94 115.55 4req s ASN 196 Ca -0.12 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 4req s ASN 196 Cb -0.04 -1.61 -0.17 0.00 -0.02 0.00 0.00 41.25 39.42 4req s ASN 196 CO 0.04 0.13 1.26 -0.07 -2.57 0.00 0.00 177.10 175.88 4req h LEU 197 N 6.96 0.29 0.00 0.60 3.38 -1.23 -2.99 115.31 122.32 4req h LEU 197 Ca -0.29 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.41 4req h LEU 197 Cb 1.20 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.86 4req h LEU 197 CO 0.56 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.86 4req n GLY 198 N 1.24 0.78 3.73 0.83 0.00 -1.12 -4.35 105.19 106.31 4req n GLY 198 Ca -0.05 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 4req n GLY 198 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4req s LEU 199 N 0.00 4.38 -0.48 0.99 2.01 0.54 -4.59 118.68 121.53 4req s LEU 199 Ca 0.00 2.48 0.05 0.00 0.01 0.00 0.00 54.13 56.67 4req s LEU 199 Cb 0.00 -3.60 0.21 0.00 0.01 0.00 0.00 46.19 42.81 4req s LEU 199 CO 0.00 -0.69 0.85 -0.67 1.01 0.00 0.00 176.35 176.85 4req n ASP 200 N 3.44 -2.96 -0.18 2.29 2.03 -1.26 -1.68 116.55 118.22 4req n ASP 200 Ca 0.10 -2.79 -0.04 0.00 0.52 0.00 0.00 54.79 52.59 4req n ASP 200 Cb 0.41 1.62 0.06 0.00 -0.72 0.00 0.00 41.12 42.49 4req n ASP 200 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 4req h PRO 201 N 4.49 0.55 -0.11 -0.67 0.13 -1.92 0.25 132.00 134.72 4req h PRO 201 Ca -0.03 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 4req h PRO 201 Cb 1.10 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 4req h PRO 201 CO 0.09 0.36 0.00 0.82 -0.23 0.00 0.00 178.00 179.05 4req h ILE 202 N 0.56 1.24 -0.38 -3.56 2.04 -1.94 -1.44 117.51 114.03 4req h ILE 202 Ca 0.24 -0.78 0.07 0.00 1.00 0.00 0.00 64.86 65.39 4req h ILE 202 Cb 0.13 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 4req h ILE 202 CO -0.16 0.22 -0.02 1.23 0.00 0.00 0.00 178.15 179.43 4req h GLY 203 N -0.07 0.36 1.00 5.37 0.00 -1.88 0.10 103.07 107.94 4req h GLY 203 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.42 4req h GLY 203 CO 0.00 -0.10 0.22 -2.75 0.00 0.00 0.00 176.54 173.92 4req h PHE 204 N 0.08 0.42 -0.04 5.60 3.57 -0.91 -2.29 116.94 123.37 4req h PHE 204 Ca 0.18 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.70 4req h PHE 204 Cb 0.26 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 4req h PHE 204 CO -0.27 0.26 -0.01 0.00 -2.23 0.00 0.00 178.31 176.06 4req h ALA 205 N 1.12 0.02 -0.88 2.41 0.00 -0.73 -0.96 119.26 120.25 4req h ALA 205 Ca 0.12 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.12 4req h ALA 205 Cb -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 4req h ALA 205 CO -0.03 -0.50 0.54 0.00 0.00 0.00 0.00 179.25 179.27 4req h ALA 206 N 1.04 1.23 0.00 0.00 0.00 -0.86 0.29 119.26 120.96 4req h ALA 206 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 4req h ALA 206 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 4req h ALA 206 CO -0.04 0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.39 4req h LEU 207 N 0.96 0.00 0.00 0.00 3.38 -1.17 -1.90 115.31 116.58 4req h LEU 207 Ca 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 4req h LEU 207 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 4req h LEU 207 CO -0.20 0.00 -1.24 0.00 0.09 0.00 0.00 178.44 177.09 4req n GLN 208 N -2.70 1.70 0.00 1.13 1.13 -0.39 -3.43 117.38 114.83 4req n GLN 208 Ca 0.03 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 4req n GLN 208 Cb 0.39 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.63 4req n GLN 208 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 4req n GLY 209 N 2.49 0.06 3.59 1.08 0.00 0.95 -3.24 105.19 110.11 4req n GLY 209 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 4req n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 210 N -2.00 1.64 -0.19 2.61 -4.23 -1.22 -4.99 115.64 107.26 4req s THR 210 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 4req s THR 210 Cb 0.00 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 4req s THR 210 CO 0.00 0.00 0.14 -1.61 -0.54 0.00 0.00 174.62 172.61 4req s GLU 211 N -5.32 4.16 -0.09 3.99 2.02 -1.26 -4.66 118.70 117.53 4req s GLU 211 Ca 0.70 -0.20 -0.33 0.00 0.02 0.00 0.00 54.97 55.15 4req s GLU 211 Cb -0.11 -3.41 -0.11 0.00 0.10 0.00 0.00 34.13 30.60 4req s GLU 211 CO 0.56 0.32 1.93 -2.30 0.02 0.00 0.00 175.26 175.79 4req n PRO 212 N 3.45 2.23 -3.57 0.39 -0.02 -1.26 -4.94 135.00 131.28 4req n PRO 212 Ca -0.16 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 4req n PRO 212 Cb 0.52 -2.72 -0.07 0.00 -0.02 0.00 0.00 33.50 31.21 4req n PRO 212 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 4req s ASP 213 N 4.50 5.81 0.00 2.55 -1.08 -1.26 -4.93 116.67 122.26 4req s ASP 213 Ca 0.93 -2.65 0.28 0.00 -0.52 0.00 0.00 52.55 50.59 4req s ASP 213 Cb -0.64 -1.99 1.17 0.00 -1.46 0.00 0.00 42.92 40.00 4req s ASP 213 CO 0.49 -0.49 1.81 0.18 0.52 0.00 0.00 175.17 177.69 4req n LEU 214 N 3.88 1.19 0.13 -1.34 4.32 -1.26 -4.42 117.00 119.50 4req n LEU 214 Ca 0.07 -0.41 0.13 0.00 -0.02 0.00 0.00 56.01 55.77 4req n LEU 214 Cb 0.41 -0.01 0.48 0.00 -1.62 0.00 0.00 43.42 42.67 4req n LEU 214 CO 0.35 0.21 0.87 0.71 -1.22 0.00 0.00 177.39 178.31 4req h THR 215 N 1.82 0.00 0.00 -5.08 1.35 -1.99 -3.22 112.91 105.79 4req h THR 215 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 4req h THR 215 Cb 0.39 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 4req h THR 215 CO 0.00 0.00 -0.68 0.58 -0.25 0.00 0.00 175.52 175.17 4req h VAL 216 N 0.00 0.00 -0.63 6.82 2.07 -2.03 -3.40 116.25 119.08 4req h VAL 216 Ca 0.00 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.92 4req h VAL 216 Cb 0.48 1.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.42 4req h VAL 216 CO 0.00 0.00 -0.49 -0.07 0.02 0.00 0.00 177.57 177.03 4req h LEU 217 N 0.00 -1.71 -1.05 2.57 3.38 -1.88 -1.16 115.31 115.46 4req h LEU 217 Ca 0.00 0.26 0.16 0.00 0.09 0.00 0.00 57.88 58.39 4req h LEU 217 Cb 0.84 0.76 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 4req h LEU 217 CO 0.00 -0.33 0.62 1.23 0.09 0.00 0.00 178.44 180.04 4req h GLY 218 N -0.22 1.65 0.53 0.83 0.00 -1.85 -1.51 103.07 102.49 4req h GLY 218 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.11 4req h GLY 218 CO -0.72 0.04 -0.39 1.29 0.00 0.00 0.00 176.54 176.76 4req h ASP 219 N 0.84 -1.08 -0.64 0.19 2.03 -1.49 -0.65 116.42 115.62 4req h ASP 219 Ca 0.53 0.10 0.09 0.00 -0.73 0.00 0.00 57.03 57.02 4req h ASP 219 Cb 0.73 0.38 -0.07 0.00 -0.83 0.00 0.00 39.33 39.54 4req h ASP 219 CO -0.31 -0.52 0.28 -0.50 -1.03 0.00 0.00 179.24 177.16 4req h TRP 220 N -0.75 0.51 -0.65 4.15 4.06 -1.21 0.55 115.95 122.61 4req h TRP 220 Ca -0.02 0.03 0.03 0.00 2.06 0.00 0.00 58.89 60.99 4req h TRP 220 Cb 0.70 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.69 4req h TRP 220 CO -0.25 0.17 0.40 0.28 -3.56 0.00 0.00 178.44 175.48 4req h VAL 221 N 0.50 1.08 -0.40 1.49 2.07 -1.02 -2.09 116.25 117.88 4req h VAL 221 Ca 0.31 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.41 4req h VAL 221 Cb 0.34 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 4req h VAL 221 CO -0.27 0.14 -0.34 0.03 0.02 0.00 0.00 177.57 177.16 4req h ARG 222 N 0.79 0.93 -1.00 1.57 3.08 0.16 -3.09 114.38 116.82 4req h ARG 222 Ca 0.26 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.88 4req h ARG 222 Cb 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 4req h ARG 222 CO -0.10 1.12 0.65 -0.09 -1.07 0.00 0.00 179.97 180.48 4req h ARG 223 N 0.77 1.23 -0.00 0.04 9.65 -0.70 -2.81 114.38 122.56 4req h ARG 223 Ca 0.07 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 4req h ARG 223 Cb 0.92 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 4req h ARG 223 CO 0.09 0.81 -0.05 -0.11 2.80 0.00 0.00 179.97 183.51 4req n LEU 224 N -4.43 0.32 0.24 3.80 7.94 -0.81 -4.22 117.00 119.83 4req n LEU 224 Ca 0.13 0.04 0.09 0.00 -1.11 0.00 0.00 56.01 55.17 4req n LEU 224 Cb 0.09 -0.16 0.59 0.00 0.53 0.00 0.00 43.42 44.47 4req n LEU 224 CO 0.35 0.06 0.89 0.00 -1.11 0.00 0.00 177.39 177.58 4req h ALA 225 N 3.69 1.36 0.93 1.96 0.00 -1.41 -3.14 119.26 122.65 4req h ALA 225 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 4req h ALA 225 Cb 0.27 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.04 4req h ALA 225 CO 0.00 0.24 -0.45 0.87 0.00 0.00 0.00 179.25 179.91 4req h LYS 226 N 0.00 -1.21 -6.70 0.00 1.57 -1.79 -3.45 116.57 104.98 4req h LYS 226 Ca -0.00 0.08 -0.48 0.00 -1.87 0.00 0.00 60.65 58.38 4req h LYS 226 Cb 0.43 0.27 0.23 0.00 0.08 0.00 0.00 32.23 33.25 4req h LYS 226 CO 0.03 -0.81 -0.93 1.19 -0.57 0.00 0.00 179.45 178.36 4req n PHE 227 N -5.40 -1.46 -1.02 -1.35 3.72 -1.19 -3.48 117.46 107.28 4req n PHE 227 Ca -0.16 0.17 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 4req n PHE 227 Cb 0.50 -1.63 0.09 0.00 -0.94 0.00 0.00 39.48 37.49 4req n PHE 227 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 4req n SER 228 N -1.51 -2.15 0.16 4.37 2.88 -0.81 -4.65 113.62 111.91 4req n SER 228 Ca 0.03 0.43 0.13 0.00 -1.33 0.00 0.00 58.87 58.12 4req n SER 228 Cb 0.59 -1.16 0.53 0.00 -0.75 0.00 0.00 64.21 63.42 4req n SER 228 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 4req h PRO 229 N -0.99 0.00 0.00 -1.46 0.13 -1.90 -2.92 132.00 124.86 4req h PRO 229 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 4req h PRO 229 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 4req h PRO 229 CO 0.37 0.00 -0.05 -0.44 -0.23 0.00 0.00 178.00 177.64 4req h ASP 230 N 0.00 0.00 -3.59 1.44 3.32 -1.91 -3.46 116.42 112.22 4req h ASP 230 Ca 0.00 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 4req h ASP 230 Cb 0.41 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.03 4req h ASP 230 CO 0.00 0.00 0.72 -0.44 -1.72 0.00 0.00 179.24 177.80 4req s SER 231 N -6.00 6.67 0.04 6.45 0.01 -1.11 -4.80 113.70 114.97 4req s SER 231 Ca 0.07 2.70 0.06 0.00 1.31 0.00 0.00 55.95 60.10 4req s SER 231 Cb 0.06 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 4req s SER 231 CO 0.67 -0.66 -0.18 -0.13 0.41 0.00 0.00 173.24 173.35 4req s ARG 232 N -0.99 1.19 -0.18 12.44 1.81 -0.92 -4.76 118.95 127.55 4req s ARG 232 Ca 0.55 -0.84 -0.06 0.00 -1.72 0.00 0.00 55.73 53.66 4req s ARG 232 Cb -0.41 -1.25 -0.22 0.00 -0.45 0.00 0.00 34.95 32.61 4req s ARG 232 CO 0.48 0.32 0.15 0.00 -0.68 0.00 0.00 175.30 175.57 4req n ALA 233 N 1.92 1.04 -2.80 2.13 0.00 -0.48 -1.04 120.51 121.29 4req n ALA 233 Ca -0.17 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.17 4req n ALA 233 Cb 0.54 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 4req n ALA 233 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 4req s VAL 234 N -2.53 4.89 -0.30 0.00 1.01 -0.86 -0.34 120.40 122.27 4req s VAL 234 Ca -0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 4req s VAL 234 Cb 0.08 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.41 4req s VAL 234 CO 0.69 0.54 0.12 -0.89 0.00 0.00 0.00 175.10 175.56 4req s THR 235 N -0.36 0.40 -0.34 3.92 2.01 -0.68 -0.54 115.64 120.05 4req s THR 235 Ca 0.09 -1.10 -0.29 0.00 0.31 0.00 0.00 61.69 60.70 4req s THR 235 Cb -0.12 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 4req s THR 235 CO 0.02 -0.71 1.69 -0.63 -0.69 0.00 0.00 174.62 174.29 4req s ILE 236 N 1.83 3.60 -0.79 1.82 1.01 -0.21 -4.44 121.20 124.02 4req s ILE 236 Ca 0.10 0.61 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 4req s ILE 236 Cb -0.17 -3.79 0.08 0.00 0.01 0.00 0.00 42.46 38.59 4req s ILE 236 CO -0.30 -0.49 1.10 -0.62 0.00 0.00 0.00 174.94 174.62 4req s ASP 237 N 5.39 6.34 0.35 3.58 -1.08 -1.26 -1.23 116.67 128.76 4req s ASP 237 Ca 0.75 -1.30 0.18 0.00 -0.52 0.00 0.00 52.55 51.66 4req s ASP 237 Cb -0.20 -2.44 0.49 0.00 -1.46 0.00 0.00 42.92 39.30 4req s ASP 237 CO 0.33 -1.38 1.64 0.00 0.52 0.00 0.00 175.17 176.29 4req h ALA 238 N 9.43 0.88 -0.00 3.66 0.00 -1.33 -3.14 119.26 128.75 4req h ALA 238 Ca -0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 4req h ALA 238 Cb 1.05 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 4req h ALA 238 CO 1.20 0.51 -0.04 -0.97 0.00 0.00 0.00 179.25 179.95 4req h ASN 239 N 0.00 0.00 0.05 0.00 -0.00 -1.86 -2.76 115.58 111.02 4req h ASN 239 Ca -0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 56.30 56.32 4req h ASN 239 Cb 1.06 -0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.33 4req h ASN 239 CO 0.05 0.05 -0.38 0.40 -0.00 0.00 0.00 177.43 177.55 4req h ILE 240 N 0.00 0.21 -0.51 2.57 2.04 -1.89 0.24 117.51 120.18 4req h ILE 240 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 4req h ILE 240 Cb 0.08 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 4req h ILE 240 CO 0.01 0.00 0.11 1.88 0.00 0.00 0.00 178.15 180.15 4req h TYR 241 N -0.57 0.80 0.03 1.37 0.05 -1.69 -3.08 116.97 113.88 4req h TYR 241 Ca 0.04 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 4req h TYR 241 Cb 0.63 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.14 4req h TYR 241 CO -0.37 0.68 -0.02 1.25 -1.05 0.00 0.00 178.16 178.66 4req h HIS 242 N 0.75 -0.04 -0.15 4.88 2.76 -1.19 -0.90 115.15 121.26 4req h HIS 242 Ca 0.17 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 4req h HIS 242 Cb 0.29 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 4req h HIS 242 CO 0.02 0.04 0.12 -0.91 -1.30 0.00 0.00 177.93 175.90 4req h ASN 243 N -0.12 0.00 0.64 3.26 2.35 -0.50 -0.43 115.58 120.79 4req h ASN 243 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 4req h ASN 243 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 4req h ASN 243 CO 0.01 0.00 -0.08 0.00 -1.65 0.00 0.00 177.43 175.71 4req n ALA 244 N -2.49 2.61 0.00 -0.83 0.00 -1.17 -3.58 120.51 115.05 4req n ALA 244 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 4req n ALA 244 Cb 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 4req n ALA 244 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 245 N 1.37 0.87 3.78 0.00 0.00 -0.17 -4.90 105.19 106.15 4req n GLY 245 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 4req n GLY 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 246 N -2.00 2.62 0.49 4.61 0.00 -0.36 -4.31 121.76 122.80 4req s ALA 246 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 4req s ALA 246 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 4req s ALA 246 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.19 4req n GLY 247 N -0.47 0.66 0.14 0.00 0.00 -1.26 -4.53 105.19 99.72 4req n GLY 247 Ca 0.10 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 4req n GLY 247 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4req h ASP 248 N 0.00 0.42 0.47 1.61 3.32 -1.98 -3.06 116.42 117.19 4req h ASP 248 Ca 0.00 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 4req h ASP 248 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 4req h ASP 248 CO 0.00 0.80 -0.35 0.58 -1.72 0.00 0.00 179.24 178.55 4req h VAL 249 N 0.04 0.28 -0.46 -1.35 2.07 -1.93 -2.13 116.25 112.77 4req h VAL 249 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 4req h VAL 249 Cb 0.68 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 4req h VAL 249 CO 0.04 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.91 4req h ALA 250 N -0.39 0.59 -0.41 1.67 0.00 -1.95 0.06 119.26 118.83 4req h ALA 250 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.89 4req h ALA 250 Cb 0.68 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 4req h ALA 250 CO 0.01 -0.03 0.19 1.49 0.00 0.00 0.00 179.25 180.91 4req h GLU 251 N 0.56 0.38 -0.00 0.00 4.81 -1.50 -1.03 114.58 117.81 4req h GLU 251 Ca 0.18 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 4req h GLU 251 Cb 0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 4req h GLU 251 CO -0.08 0.25 0.00 1.25 -0.73 0.00 0.00 179.01 179.70 4req h LEU 252 N 0.39 0.00 -0.42 1.64 5.85 -1.13 -1.61 115.31 120.03 4req h LEU 252 Ca 0.18 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.73 4req h LEU 252 Cb 0.11 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 4req h LEU 252 CO -0.14 0.20 0.22 0.00 -0.34 0.00 0.00 178.44 178.38 4req h ALA 253 N 0.80 0.52 0.00 1.25 0.00 -0.80 -2.50 119.26 118.54 4req h ALA 253 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 4req h ALA 253 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 4req h ALA 253 CO -0.00 -0.13 -0.36 -1.49 0.00 0.00 0.00 179.25 177.27 4req h TRP 254 N 0.44 0.00 -0.00 0.00 6.55 -1.25 0.95 115.95 122.64 4req h TRP 254 Ca 0.18 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.02 4req h TRP 254 Cb 0.07 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.37 4req h TRP 254 CO -0.09 0.36 -0.00 0.00 -1.05 0.00 0.00 178.44 177.65 4req h ALA 255 N 1.64 0.00 -0.58 1.49 0.00 -0.92 -1.52 119.26 119.37 4req h ALA 255 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 4req h ALA 255 Cb 0.92 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 4req h ALA 255 CO 0.05 -0.32 0.19 -0.07 0.00 0.00 0.00 179.25 179.10 4req h LEU 256 N -0.36 0.84 -0.17 0.00 3.38 -1.25 -1.75 115.31 116.00 4req h LEU 256 Ca 0.00 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 4req h LEU 256 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 4req h LEU 256 CO 0.00 0.82 0.09 0.00 0.09 0.00 0.00 178.44 179.45 4req h ALA 257 N 1.05 0.22 -0.34 1.53 0.00 -0.81 -1.73 119.26 119.20 4req h ALA 257 Ca 0.19 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 4req h ALA 257 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 4req h ALA 257 CO -0.01 -0.24 -0.13 1.15 0.00 0.00 0.00 179.25 180.03 4req h THR 258 N 0.17 1.24 -0.18 0.00 2.02 -1.22 -2.89 112.91 112.05 4req h THR 258 Ca 0.06 -1.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 4req h THR 258 Cb 0.08 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 4req h THR 258 CO -0.01 0.36 -0.05 1.23 0.37 0.00 0.00 175.52 177.43 4req h GLY 259 N 0.96 0.38 0.76 2.16 0.00 -1.07 -2.83 103.07 103.42 4req h GLY 259 Ca 0.10 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.15 4req h GLY 259 CO 0.03 0.29 0.24 0.00 0.00 0.00 0.00 176.54 177.11 4req h ALA 260 N 0.73 0.60 -0.09 3.60 0.00 -1.21 -0.81 119.26 122.08 4req h ALA 260 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 260 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 4req h ALA 260 CO 0.02 -0.11 -0.01 0.93 0.00 0.00 0.00 179.25 180.08 4req h GLU 261 N 0.48 0.01 0.00 0.00 4.39 -1.53 -1.87 114.58 116.06 4req h GLU 261 Ca 0.21 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 4req h GLU 261 Cb 0.11 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 4req h GLU 261 CO -0.14 0.01 -0.32 1.88 -1.16 0.00 0.00 179.01 179.28 4req h TYR 262 N 0.01 0.00 0.09 4.33 0.05 -1.23 0.31 116.97 120.54 4req h TYR 262 Ca 0.04 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 4req h TYR 262 Cb 0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.80 4req h TYR 262 CO -0.14 0.32 -0.04 0.28 -1.05 0.00 0.00 178.16 177.53 4req h VAL 263 N 0.00 1.09 0.12 -2.88 2.07 -1.05 -2.19 116.25 113.41 4req h VAL 263 Ca -0.00 -1.36 0.02 0.00 0.82 0.00 0.00 66.70 66.18 4req h VAL 263 Cb 0.59 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 4req h VAL 263 CO 0.04 0.30 -0.38 0.03 0.02 0.00 0.00 177.57 177.58 4req h ARG 264 N -0.82 -0.59 -0.14 1.57 3.08 -1.17 -0.20 114.38 116.10 4req h ARG 264 Ca -0.01 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.11 4req h ARG 264 Cb 0.58 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 4req h ARG 264 CO 0.02 -0.40 -0.52 0.00 -1.07 0.00 0.00 179.97 178.01 4req h ALA 265 N -0.07 -0.87 -0.59 0.04 0.00 -0.46 -0.77 119.26 116.54 4req h ALA 265 Ca 0.03 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 265 Cb 0.65 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 4req h ALA 265 CO -0.23 -1.06 0.40 -0.07 0.00 0.00 0.00 179.25 178.29 4req h LEU 266 N -0.55 0.34 -0.22 0.00 3.38 -1.08 -1.95 115.31 115.23 4req h LEU 266 Ca 0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 4req h LEU 266 Cb 0.64 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.33 4req h LEU 266 CO -0.42 0.20 -0.43 0.58 0.09 0.00 0.00 178.44 178.46 4req h VAL 267 N 0.37 1.32 0.40 1.22 2.07 -0.41 -1.98 116.25 119.23 4req h VAL 267 Ca 0.28 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 4req h VAL 267 Cb 0.58 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 4req h VAL 267 CO -0.07 0.52 -0.35 -0.33 0.02 0.00 0.00 177.57 177.35 4req h GLU 268 N 0.38 -0.73 -0.28 1.57 5.08 -0.44 -3.05 114.58 117.12 4req h GLU 268 Ca 0.01 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 4req h GLU 268 Cb 1.03 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.44 4req h GLU 268 CO 0.10 -0.49 0.00 1.04 -1.00 0.00 0.00 179.01 178.66 4req n GLN 269 N -5.47 0.16 -0.23 2.33 6.02 -0.85 -4.75 117.38 114.60 4req n GLN 269 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 4req n GLN 269 Cb 0.36 -1.10 0.00 0.00 1.02 0.00 0.00 30.24 30.52 4req n GLN 269 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4req n GLY 270 N 0.45 0.97 3.89 1.08 0.00 -1.15 -4.98 105.19 105.45 4req n GLY 270 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 4req n GLY 270 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4req s PHE 271 N -2.65 3.55 0.91 1.61 0.40 -0.75 -4.99 117.98 116.07 4req s PHE 271 Ca 0.00 0.99 -0.12 0.00 -0.60 0.00 0.00 56.93 57.20 4req s PHE 271 Cb 0.00 -2.44 0.14 0.00 0.51 0.00 0.00 43.02 41.23 4req s PHE 271 CO 0.00 -0.33 1.10 0.99 0.70 0.00 0.00 175.22 177.68 4req s THR 272 N -2.75 2.49 0.06 0.64 2.01 -1.26 -3.93 115.64 112.90 4req s THR 272 Ca 0.50 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.52 4req s THR 272 Cb -0.10 -2.71 -0.28 0.00 0.01 0.00 0.00 72.50 69.41 4req s THR 272 CO 0.43 -0.21 1.12 0.00 -0.69 0.00 0.00 174.62 175.27 4req h ALA 273 N -1.57 0.02 -0.80 7.40 0.00 -1.91 -2.79 119.26 119.60 4req h ALA 273 Ca -0.51 -0.77 0.02 0.00 0.00 0.00 0.00 54.91 53.66 4req h ALA 273 Cb 1.30 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 4req h ALA 273 CO 0.57 0.70 0.52 1.15 0.00 0.00 0.00 179.25 182.18 4req h THR 274 N 0.29 1.16 0.00 0.00 2.02 -1.88 -2.12 112.91 112.38 4req h THR 274 Ca -0.18 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 4req h THR 274 Cb 1.89 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 4req h THR 274 CO 0.23 0.19 -0.51 -0.33 0.37 0.00 0.00 175.52 175.47 4req h GLU 275 N 1.04 0.00 -0.06 6.66 3.07 -1.93 -2.27 114.58 121.09 4req h GLU 275 Ca 0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.15 4req h GLU 275 Cb -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.85 4req h GLU 275 CO -0.09 0.51 -0.03 0.00 -1.40 0.00 0.00 179.01 178.01 4req h ALA 276 N 1.49 0.09 -0.86 3.43 0.00 -1.21 -3.09 119.26 119.10 4req h ALA 276 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 4req h ALA 276 Cb 0.95 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 4req h ALA 276 CO 0.07 -0.17 0.57 0.74 0.00 0.00 0.00 179.25 180.46 4req h PHE 277 N -0.25 1.07 0.00 0.00 -1.00 -1.26 -2.72 116.94 112.77 4req h PHE 277 Ca 0.01 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.82 4req h PHE 277 Cb 0.46 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.67 4req h PHE 277 CO 0.07 0.65 0.00 -0.25 -1.61 0.00 0.00 178.31 177.16 4req n ASP 278 N -4.42 0.00 -0.00 2.17 9.92 -0.87 -3.17 116.55 120.18 4req n ASP 278 Ca 0.11 0.17 0.03 0.00 -0.53 0.00 0.00 54.79 54.57 4req n ASP 278 Cb 0.06 -0.37 -0.04 0.00 -0.64 0.00 0.00 41.12 40.13 4req n ASP 278 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 4req n THR 279 N -1.37 0.00 -3.84 -3.53 5.66 -1.05 -4.78 114.28 105.37 4req n THR 279 Ca 0.09 -0.32 -0.36 0.00 -3.05 0.00 0.00 64.05 60.41 4req n THR 279 Cb 0.21 0.97 -0.08 0.00 -1.55 0.00 0.00 70.33 69.88 4req n THR 279 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 4req s ILE 280 N -1.71 5.32 0.18 1.09 1.01 -1.06 -1.38 121.20 124.65 4req s ILE 280 Ca 0.02 0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.90 4req s ILE 280 Cb 0.05 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 4req s ILE 280 CO 0.29 0.51 -0.16 0.20 0.00 0.00 0.00 174.94 175.78 4req s ASN 281 N -0.17 2.55 -0.11 3.58 -0.87 0.30 -4.67 114.94 115.55 4req s ASN 281 Ca 0.10 -0.93 0.01 0.00 -1.57 0.00 0.00 52.86 50.48 4req s ASN 281 Cb -0.12 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.25 40.96 4req s ASN 281 CO 0.00 -0.11 -0.15 -0.36 -2.57 0.00 0.00 177.10 173.91 4req s PHE 282 N -2.48 2.74 -0.40 2.20 0.40 0.84 -1.04 117.98 120.23 4req s PHE 282 Ca 0.18 -0.61 -0.08 0.00 -0.60 0.00 0.00 56.93 55.82 4req s PHE 282 Cb -0.03 -1.77 0.07 0.00 0.51 0.00 0.00 43.02 41.80 4req s PHE 282 CO 0.06 -0.17 0.23 0.50 0.70 0.00 0.00 175.22 176.55 4req s ARG 283 N 0.12 2.57 0.23 0.44 3.52 -0.36 0.13 118.95 125.59 4req s ARG 283 Ca -0.07 -1.43 0.10 0.00 -0.13 0.00 0.00 55.73 54.19 4req s ARG 283 Cb -0.15 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.48 4req s ARG 283 CO 0.05 -0.91 -0.09 0.14 -0.81 0.00 0.00 175.30 173.69 4req s VAL 284 N 1.41 3.12 0.11 7.11 -7.23 -0.95 -0.83 120.40 123.14 4req s VAL 284 Ca 0.03 -1.91 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 4req s VAL 284 Cb -0.22 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.04 4req s VAL 284 CO 0.02 -0.26 0.65 -0.89 -0.31 0.00 0.00 175.10 174.31 4req s THR 285 N -2.08 4.59 -0.27 5.32 2.01 -1.26 -0.72 115.64 123.23 4req s THR 285 Ca 0.28 1.41 -0.07 0.00 0.31 0.00 0.00 61.69 63.63 4req s THR 285 Cb -0.07 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 4req s THR 285 CO 0.17 0.54 0.06 0.00 -0.69 0.00 0.00 174.62 174.70 4req s ALA 286 N -1.10 3.08 0.28 7.40 0.00 -0.14 -4.86 121.76 126.42 4req s ALA 286 Ca 0.32 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.03 4req s ALA 286 Cb -0.21 -2.08 0.03 0.00 0.00 0.00 0.00 23.12 20.87 4req s ALA 286 CO 0.22 -0.68 0.29 0.25 0.00 0.00 0.00 175.76 175.84 4req n THR 287 N 4.89 0.00 0.23 0.00 -2.24 -1.26 -1.10 114.28 114.79 4req n THR 287 Ca -0.16 -1.01 0.13 0.00 -2.27 0.00 0.00 64.05 60.74 4req n THR 287 Cb 0.50 -0.50 0.28 0.00 -2.10 0.00 0.00 70.33 68.51 4req n THR 287 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 4req h HIS 288 N 0.33 0.00 -2.59 4.78 2.07 -1.92 -3.33 115.15 114.49 4req h HIS 288 Ca -0.15 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.81 4req h HIS 288 Cb 0.62 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.50 4req h HIS 288 CO 0.00 0.04 0.93 0.34 -3.07 0.00 0.00 177.93 176.16 4req s ASP 289 N -6.11 6.22 0.10 3.10 -1.08 -1.26 -4.83 116.67 112.81 4req s ASP 289 Ca 0.05 -0.45 -0.34 0.00 -0.52 0.00 0.00 52.55 51.29 4req s ASP 289 Cb 0.06 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.85 4req s ASP 289 CO 0.65 -1.68 1.57 -0.61 0.52 0.00 0.00 175.17 175.62 4req h GLN 290 N 9.83 -0.79 0.00 4.34 4.15 -1.88 -2.45 115.11 128.30 4req h GLN 290 Ca -0.28 0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 4req h GLN 290 Cb 1.06 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 4req h GLN 290 CO 1.24 -0.53 -0.44 0.74 -1.93 0.00 0.00 178.83 177.91 4req h PHE 291 N -0.82 0.00 -0.28 3.99 0.04 -1.97 -1.71 116.94 116.19 4req h PHE 291 Ca -0.02 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.61 4req h PHE 291 Cb 0.78 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 4req h PHE 291 CO -0.37 0.44 -0.37 -0.07 -0.60 0.00 0.00 178.31 177.34 4req h LEU 292 N 0.00 0.81 -0.06 1.54 3.38 -1.98 -1.13 115.31 117.88 4req h LEU 292 Ca -0.00 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 4req h LEU 292 Cb 1.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 4req h LEU 292 CO 0.06 1.15 0.01 0.74 0.09 0.00 0.00 178.44 180.49 4req h THR 293 N 0.49 1.19 0.26 0.22 2.02 -1.36 0.40 112.91 116.14 4req h THR 293 Ca 0.03 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 4req h THR 293 Cb 0.96 1.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.82 4req h THR 293 CO 0.09 0.16 -0.16 0.40 0.37 0.00 0.00 175.52 176.37 4req h ILE 294 N -0.12 0.67 -0.53 3.11 2.04 -1.25 -2.44 117.51 118.99 4req h ILE 294 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 4req h ILE 294 Cb 0.23 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 4req h ILE 294 CO 0.00 0.00 0.35 0.00 0.00 0.00 0.00 178.15 178.50 4req h ALA 295 N 0.32 1.64 -0.30 1.87 0.00 -1.14 -2.73 119.26 118.92 4req h ALA 295 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 4req h ALA 295 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 4req h ALA 295 CO 0.03 0.33 -0.10 -0.09 0.00 0.00 0.00 179.25 179.42 4req h ARG 296 N 0.70 0.60 -0.27 0.00 2.43 -0.76 -0.51 114.38 116.56 4req h ARG 296 Ca 0.20 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 4req h ARG 296 Cb -0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 4req h ARG 296 CO -0.04 0.80 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.86 4req h LEU 297 N 0.36 0.56 -0.20 3.80 3.38 -1.28 -1.30 115.31 120.62 4req h LEU 297 Ca 0.07 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.62 4req h LEU 297 Cb 0.59 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.20 4req h LEU 297 CO 0.03 0.82 -0.76 0.03 0.09 0.00 0.00 178.44 178.66 4req h ARG 298 N 0.47 0.75 -0.75 1.13 3.08 -1.49 -3.22 114.38 114.35 4req h ARG 298 Ca 0.06 -0.60 -0.04 0.00 0.07 0.00 0.00 59.98 59.47 4req h ARG 298 Cb 0.74 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 4req h ARG 298 CO 0.06 1.21 0.32 0.00 -1.07 0.00 0.00 179.97 180.49 4req h ALA 299 N 0.62 0.98 0.32 0.04 0.00 -0.85 -2.45 119.26 117.91 4req h ALA 299 Ca -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 4req h ALA 299 Cb 1.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 4req h ALA 299 CO 0.15 0.58 -0.27 1.25 0.00 0.00 0.00 179.25 180.96 4req h LEU 300 N 1.08 -0.72 -0.61 0.00 6.46 -1.28 -1.40 115.31 118.84 4req h LEU 300 Ca 0.25 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.12 4req h LEU 300 Cb 0.18 0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 4req h LEU 300 CO -0.02 -0.40 0.33 0.03 -0.62 0.00 0.00 178.44 177.76 4req h ARG 301 N -0.61 0.62 -0.03 1.25 3.08 -1.53 0.89 114.38 118.04 4req h ARG 301 Ca -0.02 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.01 4req h ARG 301 Cb 0.54 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 4req h ARG 301 CO -0.03 0.41 -0.05 1.49 -1.07 0.00 0.00 179.97 180.71 4req h GLU 302 N 0.64 -0.08 -0.41 0.04 4.81 -1.16 -1.63 114.58 116.79 4req h GLU 302 Ca 0.26 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 4req h GLU 302 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 4req h GLU 302 CO -0.16 -0.05 0.07 0.00 -0.73 0.00 0.00 179.01 178.13 4req h ALA 303 N 0.95 0.54 -0.70 2.92 0.00 -0.85 -2.81 119.26 119.31 4req h ALA 303 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 4req h ALA 303 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 4req h ALA 303 CO -0.08 0.25 0.15 2.35 0.00 0.00 0.00 179.25 181.92 4req h TRP 304 N 0.52 1.19 -0.64 0.00 -0.00 -0.79 -2.23 115.95 114.01 4req h TRP 304 Ca 0.12 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 4req h TRP 304 Cb 0.37 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.17 4req h TRP 304 CO 0.03 0.97 0.33 0.00 -0.00 0.00 0.00 178.44 179.77 4req h ALA 305 N 1.09 0.82 -0.64 2.65 0.00 -1.28 -0.87 119.26 121.04 4req h ALA 305 Ca 0.22 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 4req h ALA 305 Cb 0.40 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 4req h ALA 305 CO 0.01 0.36 0.42 -0.09 0.00 0.00 0.00 179.25 179.94 4req h ARG 306 N 0.87 0.82 -0.15 0.00 9.65 -1.21 -1.68 114.38 122.68 4req h ARG 306 Ca 0.22 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 4req h ARG 306 Cb 0.08 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.45 4req h ARG 306 CO -0.03 0.54 -0.05 0.82 2.80 0.00 0.00 179.97 184.05 4req h ILE 307 N 0.84 0.83 -0.52 1.20 2.04 -0.84 -2.24 117.51 118.82 4req h ILE 307 Ca 0.24 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.20 4req h ILE 307 Cb -0.08 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 36.75 4req h ILE 307 CO -0.06 0.00 0.02 1.23 0.00 0.00 0.00 178.15 179.34 4req h GLY 308 N -0.01 0.56 1.34 5.37 0.00 -0.59 -2.50 103.07 107.23 4req h GLY 308 Ca 0.08 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 4req h GLY 308 CO -0.17 -0.14 0.15 -2.09 0.00 0.00 0.00 176.54 174.30 4req h GLU 309 N 0.14 0.84 -0.14 4.80 4.81 -1.02 0.65 114.58 124.66 4req h GLU 309 Ca 0.27 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 59.16 4req h GLU 309 Cb 0.40 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 4req h GLU 309 CO -0.42 0.74 -0.62 0.28 -0.73 0.00 0.00 179.01 178.26 4req h VAL 310 N 0.81 1.34 -0.01 0.32 2.07 -0.99 -3.15 116.25 116.64 4req h VAL 310 Ca 0.18 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.77 4req h VAL 310 Cb 0.27 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 4req h VAL 310 CO -0.00 0.59 -0.03 0.49 0.02 0.00 0.00 177.57 178.64 4req n PHE 311 N -3.91 0.00 -2.68 1.57 3.72 -1.00 -4.97 117.46 110.19 4req n PHE 311 Ca -0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.21 4req n PHE 311 Cb 0.65 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 4req n PHE 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 4req n GLY 312 N 1.16 -0.17 3.77 1.37 0.00 -0.65 -4.71 105.19 105.96 4req n GLY 312 Ca 0.19 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 4req n GLY 312 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 313 N -2.93 3.08 0.42 1.61 1.01 0.13 -4.73 120.40 118.99 4req s VAL 313 Ca 0.17 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.56 4req s VAL 313 Cb -0.07 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 4req s VAL 313 CO 0.21 -0.15 1.22 0.47 0.00 0.00 0.00 175.10 176.84 4req n ASP 314 N -1.38 2.29 -0.35 3.32 8.00 -1.26 -4.73 116.55 122.43 4req n ASP 314 Ca 0.12 1.10 0.08 0.00 0.71 0.00 0.00 54.79 56.80 4req n ASP 314 Cb 0.51 -1.47 0.25 0.00 -0.02 0.00 0.00 41.12 40.39 4req n ASP 314 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 4req h GLU 315 N 1.98 0.90 0.00 -1.24 4.11 -1.96 -2.15 114.58 116.22 4req h GLU 315 Ca -0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.91 4req h GLU 315 Cb 1.30 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.35 4req h GLU 315 CO 0.59 0.60 0.00 -0.40 0.07 0.00 0.00 179.01 179.87 4req n ASP 316 N -4.66 0.33 -1.06 3.06 5.68 -1.26 -3.61 116.55 115.02 4req n ASP 316 Ca 0.19 0.54 0.09 0.00 -0.50 0.00 0.00 54.79 55.11 4req n ASP 316 Cb 0.39 -0.63 0.25 0.00 -1.14 0.00 0.00 41.12 40.00 4req n ASP 316 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 4req n LYS 317 N -1.82 2.98 -0.09 0.11 4.76 -0.81 -4.64 118.16 118.64 4req n LYS 317 Ca 0.05 -2.46 0.04 0.00 -2.87 0.00 0.00 58.31 53.08 4req n LYS 317 Cb 0.32 -1.52 0.15 0.00 -1.84 0.00 0.00 35.03 32.15 4req n LYS 317 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 4req n ARG 318 N 0.92 1.47 -2.99 1.97 1.74 -1.20 -4.82 116.66 113.75 4req n ARG 318 Ca 0.19 -0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 56.13 4req n ARG 318 Cb 0.61 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 4req n ARG 318 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 4req s GLY 319 N -1.10 1.78 0.45 -0.13 0.00 -1.26 -3.33 107.32 103.72 4req s GLY 319 Ca 0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.37 4req s GLY 319 CO 0.12 1.65 1.28 0.00 0.00 0.00 0.00 173.10 176.15 4req s ALA 320 N 2.71 3.10 -0.27 3.20 0.00 -1.26 -4.97 121.76 124.27 4req s ALA 320 Ca 0.31 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 4req s ALA 320 Cb -0.15 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.51 4req s ALA 320 CO 0.08 -0.89 -0.00 1.03 0.00 0.00 0.00 175.76 175.98 4req s ARG 321 N -2.49 2.95 -0.14 0.00 0.52 -1.26 -4.65 118.95 113.87 4req s ARG 321 Ca 0.61 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 4req s ARG 321 Cb -0.36 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 31.95 4req s ARG 321 CO 0.45 -0.41 -0.09 -0.65 0.02 0.00 0.00 175.30 174.61 4req s GLN 322 N 1.40 3.50 -0.49 3.54 -0.21 -1.26 -0.11 119.66 126.04 4req s GLN 322 Ca 0.01 -0.62 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 4req s GLN 322 Cb -0.17 -2.75 0.12 0.00 1.00 0.00 0.00 33.01 31.21 4req s GLN 322 CO -0.02 0.23 0.38 -0.80 -2.12 0.00 0.00 175.29 172.96 4req s ASN 323 N 0.36 5.82 0.19 5.90 0.01 0.12 -0.20 114.94 127.13 4req s ASN 323 Ca -0.08 -1.87 -0.28 0.00 -0.71 0.00 0.00 52.86 49.92 4req s ASN 323 Cb -0.15 -2.06 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 4req s ASN 323 CO 0.05 -0.73 0.89 0.00 -1.51 0.00 0.00 177.10 175.79 4req s ALA 324 N 1.42 3.36 -0.03 0.60 0.00 -0.32 -2.23 121.76 124.57 4req s ALA 324 Ca 0.05 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.58 4req s ALA 324 Cb -0.27 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 4req s ALA 324 CO 0.00 0.19 -0.19 -1.50 0.00 0.00 0.00 175.76 174.27 4req s ILE 325 N -0.95 1.50 0.59 0.00 2.07 0.10 0.02 121.20 124.54 4req s ILE 325 Ca 0.40 -0.79 -0.17 0.00 -1.41 0.00 0.00 60.65 58.69 4req s ILE 325 Cb -0.24 -1.26 -0.03 0.00 0.13 0.00 0.00 42.46 41.05 4req s ILE 325 CO 0.30 0.43 1.09 0.42 -1.91 0.00 0.00 174.94 175.26 4req s THR 326 N -0.23 3.47 -0.08 4.00 -4.23 -0.29 -0.97 115.64 117.31 4req s THR 326 Ca 0.02 0.76 -0.31 0.00 -1.18 0.00 0.00 61.69 60.98 4req s THR 326 Cb -0.09 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 4req s THR 326 CO 0.01 -0.35 2.02 -0.24 -0.54 0.00 0.00 174.62 175.52 4req n SER 327 N -1.89 3.63 -0.00 3.99 2.88 -0.26 -4.67 113.62 117.30 4req n SER 327 Ca 0.10 0.72 -0.17 0.00 -1.33 0.00 0.00 58.87 58.19 4req n SER 327 Cb 0.52 -1.47 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 4req n SER 327 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 4req h TRP 328 N 11.41 0.67 -0.92 0.66 7.01 -1.91 -3.29 115.95 129.57 4req h TRP 328 Ca -0.46 -0.34 0.19 0.00 2.11 0.00 0.00 58.89 60.39 4req h TRP 328 Cb 1.25 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 28.15 4req h TRP 328 CO 0.93 1.14 0.60 -0.09 -2.79 0.00 0.00 178.44 178.24 4req h ARG 329 N 0.01 0.51 -0.00 2.65 2.43 -1.90 -2.03 114.38 116.04 4req h ARG 329 Ca -0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 4req h ARG 329 Cb 1.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 4req h ARG 329 CO 0.12 0.33 -0.13 0.39 -1.51 0.00 0.00 179.97 179.18 4req n GLU 330 N -4.56 0.14 -2.25 0.20 1.02 -1.24 -1.12 120.64 112.82 4req n GLU 330 Ca 0.20 -0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 4req n GLU 330 Cb 0.64 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 4req n GLU 330 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 4req s LEU 331 N -2.88 3.75 0.18 -4.62 1.43 -0.76 -4.94 118.68 110.83 4req s LEU 331 Ca 0.17 2.18 0.10 0.00 -1.03 0.00 0.00 54.13 55.55 4req s LEU 331 Cb 0.19 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 4req s LEU 331 CO 0.55 -1.23 -0.22 0.42 0.23 0.00 0.00 176.35 176.11 4req s THR 332 N -1.77 2.13 -0.14 5.49 -4.23 -1.26 -4.56 115.64 111.30 4req s THR 332 Ca 0.73 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.13 4req s THR 332 Cb -0.24 -1.99 -0.25 0.00 1.34 0.00 0.00 72.50 71.37 4req s THR 332 CO 0.27 -0.17 0.42 -0.09 -0.54 0.00 0.00 174.62 174.51 4req h ARG 333 N 3.30 0.17 -6.89 3.99 2.43 -1.94 -3.43 114.38 112.02 4req h ARG 333 Ca -0.45 -0.29 -0.48 0.00 -0.81 0.00 0.00 59.98 57.94 4req h ARG 333 Cb 1.20 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.87 4req h ARG 333 CO 0.48 1.14 0.41 -1.21 -1.51 0.00 0.00 179.97 179.28 4req s GLU 334 N -2.46 4.44 -0.71 0.20 8.01 -1.26 -3.99 118.70 122.93 4req s GLU 334 Ca -0.23 1.54 -0.11 0.00 0.01 0.00 0.00 54.97 56.18 4req s GLU 334 Cb 0.05 -2.83 0.02 0.00 -4.31 0.00 0.00 34.13 27.06 4req s GLU 334 CO 0.71 0.11 0.63 -3.47 0.01 0.00 0.00 175.26 173.25 4req n ASP 335 N 0.53 -5.27 0.20 -0.19 -0.08 -1.26 -4.86 116.55 105.62 4req n ASP 335 Ca 0.02 -0.67 0.06 0.00 -1.51 0.00 0.00 54.79 52.70 4req n ASP 335 Cb 0.48 -1.97 0.44 0.00 2.34 0.00 0.00 41.12 42.41 4req n ASP 335 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 4req h PRO 336 N 0.44 0.00 0.00 -0.67 0.13 -1.74 -2.96 132.00 127.20 4req h PRO 336 Ca -0.57 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 4req h PRO 336 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 4req h PRO 336 CO 0.32 0.31 -0.03 1.88 -0.23 0.00 0.00 178.00 180.26 4req h TYR 337 N 0.00 0.00 -0.61 1.56 -1.99 -1.87 -1.96 116.97 112.09 4req h TYR 337 Ca -0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 4req h TYR 337 Cb 0.68 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.37 4req h TYR 337 CO 0.00 0.03 0.40 0.28 -0.00 0.00 0.00 178.16 178.88 4req h VAL 338 N 0.00 0.98 -0.05 -2.88 2.07 -1.87 -2.69 116.25 111.80 4req h VAL 338 Ca -0.00 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.34 4req h VAL 338 Cb 0.06 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 4req h VAL 338 CO 0.00 0.10 0.14 0.78 0.02 0.00 0.00 177.57 178.62 4req h ASN 339 N 0.56 0.00 -0.40 0.57 2.35 -1.56 -0.56 115.58 116.55 4req h ASN 339 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 4req h ASN 339 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 4req h ASN 339 CO -0.08 0.00 0.22 0.40 -1.65 0.00 0.00 177.43 176.32 4req h ILE 340 N 0.00 1.15 -0.20 2.81 2.04 -1.66 -0.07 117.51 121.58 4req h ILE 340 Ca 0.03 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 4req h ILE 340 Cb 0.31 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 4req h ILE 340 CO -0.00 0.16 -0.12 -0.07 0.00 0.00 0.00 178.15 178.12 4req h LEU 341 N 0.51 0.46 -0.44 1.44 3.38 -1.28 -0.90 115.31 118.48 4req h LEU 341 Ca 0.14 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.73 4req h LEU 341 Cb 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 4req h LEU 341 CO -0.02 0.78 0.18 0.03 0.09 0.00 0.00 178.44 179.50 4req h ARG 342 N 0.13 0.36 -0.33 1.13 3.08 -1.25 -2.28 114.38 115.22 4req h ARG 342 Ca 0.04 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 4req h ARG 342 Cb 0.62 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 4req h ARG 342 CO 0.03 0.24 -0.23 0.78 -1.07 0.00 0.00 179.97 179.72 4req h GLY 343 N 0.37 0.70 0.90 0.04 0.00 -0.89 -2.81 103.07 101.37 4req h GLY 343 Ca 0.20 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 4req h GLY 343 CO -0.18 0.53 -0.27 1.76 0.00 0.00 0.00 176.54 178.38 4req h SER 344 N 0.57 -0.66 0.22 0.19 0.02 -0.64 0.11 113.55 113.36 4req h SER 344 Ca 0.08 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 4req h SER 344 Cb 0.70 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 4req h SER 344 CO 0.05 -0.43 -0.39 -0.29 -1.14 0.00 0.00 176.83 174.63 4req h ILE 345 N -0.68 1.30 -0.24 3.27 2.10 -1.48 -1.58 117.51 120.20 4req h ILE 345 Ca -0.05 -1.47 -0.19 0.00 1.08 0.00 0.00 64.86 64.22 4req h ILE 345 Cb 0.55 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 4req h ILE 345 CO 0.06 0.44 -0.61 0.00 -1.08 0.00 0.00 178.15 176.96 4req h ALA 346 N 1.40 0.40 -0.49 0.18 0.00 -1.47 -1.63 119.26 117.64 4req h ALA 346 Ca 0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 4req h ALA 346 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 4req h ALA 346 CO 0.06 0.66 -0.01 1.15 0.00 0.00 0.00 179.25 181.11 4req h THR 347 N 0.60 1.26 -0.05 0.00 2.02 -0.62 -2.26 112.91 113.87 4req h THR 347 Ca -0.01 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.09 4req h THR 347 Cb 1.23 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.63 4req h THR 347 CO 0.13 0.38 0.03 0.15 0.37 0.00 0.00 175.52 176.58 4req h PHE 348 N 0.72 0.06 -0.67 3.16 3.57 -1.29 -2.76 116.94 119.73 4req h PHE 348 Ca 0.14 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.65 4req h PHE 348 Cb 0.52 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 4req h PHE 348 CO 0.04 0.05 0.44 0.77 -2.23 0.00 0.00 178.31 177.39 4req h SER 349 N 0.05 0.76 -0.38 0.41 0.02 -1.18 -1.25 113.55 111.98 4req h SER 349 Ca 0.02 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 4req h SER 349 Cb 0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 4req h SER 349 CO -0.00 0.55 0.18 0.00 -1.14 0.00 0.00 176.83 176.42 4req h ALA 350 N 1.25 0.49 -0.45 3.77 0.00 -1.37 -0.44 119.26 122.51 4req h ALA 350 Ca 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 4req h ALA 350 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 4req h ALA 350 CO -0.06 0.06 0.06 1.03 0.00 0.00 0.00 179.25 180.34 4req h SER 351 N 0.48 0.72 0.22 0.00 0.87 -1.41 -1.09 113.55 113.34 4req h SER 351 Ca 0.13 -0.27 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 4req h SER 351 Cb 0.12 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 4req h SER 351 CO -0.02 0.80 -0.34 0.58 -0.53 0.00 0.00 176.83 177.33 4req h VAL 352 N 0.61 1.27 0.00 2.23 2.07 -0.97 -2.78 116.25 118.68 4req h VAL 352 Ca 0.13 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.36 4req h VAL 352 Cb 0.40 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 4req h VAL 352 CO 0.01 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.60 4req n GLY 353 N -0.41 -1.15 1.74 2.17 0.00 -0.20 -4.60 105.19 102.73 4req n GLY 353 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 4req n GLY 353 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 354 N -0.05 0.66 3.76 -0.02 0.00 -0.96 -4.15 105.19 104.43 4req n GLY 354 Ca 0.02 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 4req n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 355 N -3.05 3.36 0.11 4.61 0.00 -0.45 -4.74 121.76 121.59 4req s ALA 355 Ca 0.07 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 4req s ALA 355 Cb -0.03 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 4req s ALA 355 CO 0.11 -0.26 1.43 0.93 0.00 0.00 0.00 175.76 177.97 4req h GLU 356 N 3.50 0.75 -4.68 0.00 3.07 -0.93 -3.45 114.58 112.83 4req h GLU 356 Ca -0.47 -0.39 -0.27 0.00 -0.50 0.00 0.00 59.36 57.73 4req h GLU 356 Cb 1.22 0.01 -0.19 0.00 -0.84 0.00 0.00 28.75 28.95 4req h GLU 356 CO 0.66 1.02 -0.72 -1.54 -1.40 0.00 0.00 179.01 177.02 4req s SER 357 N -6.60 1.07 -0.06 1.42 1.04 -1.17 -2.44 113.70 106.96 4req s SER 357 Ca -0.12 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.59 4req s SER 357 Cb 0.09 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.27 4req s SER 357 CO 0.84 -0.30 -0.13 -0.63 0.98 0.00 0.00 173.24 174.00 4req s ILE 358 N -2.30 1.17 -0.27 -1.02 1.01 0.21 -1.17 121.20 118.82 4req s ILE 358 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 4req s ILE 358 Cb -0.04 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.41 4req s ILE 358 CO -0.01 0.36 -0.04 -0.89 0.00 0.00 0.00 174.94 174.35 4req s THR 359 N 0.63 2.78 -0.19 2.92 2.01 0.10 -1.66 115.64 122.23 4req s THR 359 Ca -0.14 -1.31 -0.15 0.00 0.31 0.00 0.00 61.69 60.40 4req s THR 359 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 4req s THR 359 CO 0.04 0.02 0.35 -0.89 -0.69 0.00 0.00 174.62 173.45 4req s THR 360 N 1.25 5.24 0.29 -0.82 2.01 -1.26 -1.14 115.64 121.21 4req s THR 360 Ca -0.04 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.30 4req s THR 360 Cb -0.19 -3.69 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 4req s THR 360 CO -0.03 0.30 1.14 -0.76 -0.69 0.00 0.00 174.62 174.58 4req s LEU 361 N 1.03 4.52 0.59 4.42 1.43 -1.26 -4.80 118.68 124.62 4req s LEU 361 Ca 0.18 2.36 -0.20 0.00 -1.03 0.00 0.00 54.13 55.44 4req s LEU 361 Cb -0.14 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 4req s LEU 361 CO 0.07 -0.23 1.30 -2.84 0.23 0.00 0.00 176.35 174.87 4req s PRO 362 N -1.53 2.89 0.52 1.29 0.02 -1.26 -4.82 135.00 132.11 4req s PRO 362 Ca 0.46 2.08 0.27 0.00 0.02 0.00 0.00 61.00 63.82 4req s PRO 362 Cb -0.34 -2.03 1.44 0.00 0.02 0.00 0.00 34.50 33.59 4req s PRO 362 CO 0.44 -1.34 2.07 0.27 -0.33 0.00 0.00 177.00 178.11 4req h PHE 363 N 1.00 0.00 -0.00 6.54 -0.00 -1.86 -2.69 116.94 119.92 4req h PHE 363 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.46 4req h PHE 363 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.26 4req h PHE 363 CO 0.44 0.12 -0.00 0.25 -0.00 0.00 0.00 178.31 179.12 4req n THR 364 N -3.68 0.00 0.31 0.88 -2.24 -1.26 -4.56 114.28 103.73 4req n THR 364 Ca -0.02 -0.06 0.18 0.00 -2.27 0.00 0.00 64.05 61.89 4req n THR 364 Cb 0.23 -0.27 1.02 0.00 -2.10 0.00 0.00 70.33 69.22 4req n THR 364 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 4req h GLN 365 N 0.52 0.00 0.00 -0.78 5.75 -1.63 -1.91 115.11 117.07 4req h GLN 365 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 4req h GLN 365 Cb 0.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.68 4req h GLN 365 CO 0.00 0.00 -0.64 0.00 -2.65 0.00 0.00 178.83 175.54 4req n ALA 366 N -2.22 3.47 -0.12 3.38 0.00 -1.26 -4.36 120.51 119.38 4req n ALA 366 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 4req n ALA 366 Cb 0.10 -1.09 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 4req n ALA 366 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 4req n LEU 367 N -1.70 2.81 0.00 0.00 4.77 -0.78 -4.84 117.00 117.26 4req n LEU 367 Ca 0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 4req n LEU 367 Cb 0.37 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 4req n LEU 367 CO 0.37 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 4req n GLY 368 N 2.29 -0.56 3.88 -0.72 0.00 -0.85 -4.63 105.19 104.59 4req n GLY 368 Ca -0.43 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 4req n GLY 368 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 4req s LEU 369 N 0.00 4.31 0.28 0.99 1.43 0.14 -4.11 118.68 121.73 4req s LEU 369 Ca 0.00 0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 53.54 4req s LEU 369 Cb 0.00 -3.12 -0.12 0.00 0.03 0.00 0.00 46.19 42.98 4req s LEU 369 CO 0.00 0.12 1.57 -2.65 0.23 0.00 0.00 176.35 175.62 4req n PRO 370 N 0.61 2.60 0.10 1.29 -0.02 -1.26 0.03 135.00 138.35 4req n PRO 370 Ca -0.06 0.92 -0.04 0.00 -2.02 0.00 0.00 63.50 62.30 4req n PRO 370 Cb 0.52 -2.69 0.06 0.00 -0.02 0.00 0.00 33.50 31.37 4req n PRO 370 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 4req h GLU 371 N 4.71 0.06 0.00 -0.52 5.08 -1.92 -3.43 114.58 118.55 4req h GLU 371 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 4req h GLU 371 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 4req h GLU 371 CO 0.79 0.79 0.00 -0.40 -1.00 0.00 0.00 179.01 179.19 4req n ASP 372 N -3.67 0.00 0.19 1.42 5.68 -1.26 -5.05 116.55 113.86 4req n ASP 372 Ca -0.01 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.37 4req n ASP 372 Cb 0.73 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.83 4req n ASP 372 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 4req h ASP 373 N 0.00 0.00 -0.22 -1.12 3.58 -2.01 -3.41 116.42 113.24 4req h ASP 373 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 4req h ASP 373 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 4req h ASP 373 CO 0.00 0.16 -0.13 0.33 -2.88 0.00 0.00 179.24 176.72 4req n PHE 374 N -3.11 -0.10 -0.32 0.28 7.35 -1.26 -0.05 117.46 120.25 4req n PHE 374 Ca 0.03 0.28 -0.02 0.00 -0.76 0.00 0.00 57.45 56.98 4req n PHE 374 Cb 0.60 -0.45 0.11 0.00 0.35 0.00 0.00 39.48 40.09 4req n PHE 374 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 4req h PRO 375 N 0.00 1.08 -0.32 -7.13 0.14 -2.00 -1.60 132.00 122.17 4req h PRO 375 Ca 0.04 -0.06 -0.01 0.00 0.14 0.00 0.00 66.00 66.10 4req h PRO 375 Cb 0.09 -0.24 -0.02 0.00 0.14 0.00 0.00 31.00 30.97 4req h PRO 375 CO -0.21 0.71 0.17 -0.07 0.14 0.00 0.00 178.00 178.75 4req h LEU 376 N 1.11 0.41 -0.68 1.56 3.38 -1.58 -1.27 115.31 118.24 4req h LEU 376 Ca 0.34 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 4req h LEU 376 Cb -0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 4req h LEU 376 CO -0.10 0.39 0.26 -0.09 0.09 0.00 0.00 178.44 178.99 4req h ARG 377 N 0.40 1.03 -0.24 1.13 2.43 -0.10 -0.92 114.38 118.11 4req h ARG 377 Ca 0.11 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 4req h ARG 377 Cb 0.07 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 4req h ARG 377 CO -0.02 0.86 0.01 0.82 -1.51 0.00 0.00 179.97 180.14 4req h ILE 378 N 0.98 1.25 0.08 1.20 1.08 -1.16 -0.85 117.51 120.08 4req h ILE 378 Ca 0.23 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 4req h ILE 378 Cb 0.23 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 4req h ILE 378 CO -0.02 0.27 -0.48 0.00 -0.69 0.00 0.00 178.15 177.23 4req h ALA 379 N 0.82 -0.85 -0.05 1.87 0.00 -0.89 -1.74 119.26 118.41 4req h ALA 379 Ca 0.07 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 4req h ALA 379 Cb 0.38 0.82 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 4req h ALA 379 CO 0.01 -1.05 -0.36 0.07 0.00 0.00 0.00 179.25 177.92 4req h ARG 380 N -0.68 0.11 -0.07 0.00 0.11 -1.13 -3.12 114.38 109.59 4req h ARG 380 Ca 0.02 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.97 4req h ARG 380 Cb 0.72 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 4req h ARG 380 CO -0.29 0.46 -0.36 -0.91 0.10 0.00 0.00 179.97 178.97 4req h ASN 381 N 0.09 0.14 0.27 0.08 2.35 -0.96 -2.50 115.58 115.05 4req h ASN 381 Ca 0.01 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 4req h ASN 381 Cb 0.69 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 4req h ASN 381 CO 0.05 0.50 -0.42 0.74 -1.65 0.00 0.00 177.43 176.65 4req h THR 382 N 0.12 0.16 -0.25 2.81 2.02 -1.25 0.46 112.91 116.98 4req h THR 382 Ca 0.01 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.07 4req h THR 382 Cb 0.69 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 4req h THR 382 CO 0.05 0.00 -0.37 1.23 0.37 0.00 0.00 175.52 176.81 4req h GLY 383 N -0.75 0.59 0.93 2.16 0.00 -1.67 -2.24 103.07 102.09 4req h GLY 383 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 4req h GLY 383 CO -0.15 0.51 0.09 -2.22 0.00 0.00 0.00 176.54 174.77 4req h ILE 384 N 0.46 1.23 -0.34 2.60 2.04 -1.29 -1.28 117.51 120.93 4req h ILE 384 Ca 0.05 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 4req h ILE 384 Cb 0.85 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 4req h ILE 384 CO 0.07 0.27 -0.05 0.58 0.00 0.00 0.00 178.15 179.02 4req h VAL 385 N 0.47 1.27 -0.71 1.67 2.07 -0.06 -1.22 116.25 119.74 4req h VAL 385 Ca 0.12 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.61 4req h VAL 385 Cb 0.31 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 4req h VAL 385 CO 0.00 0.35 0.44 -0.07 0.02 0.00 0.00 177.57 178.31 4req h LEU 386 N 0.43 0.70 -0.05 2.57 3.38 -1.28 0.20 115.31 121.25 4req h LEU 386 Ca 0.09 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 4req h LEU 386 Cb 0.53 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.15 4req h LEU 386 CO 0.03 0.47 -0.56 0.00 0.09 0.00 0.00 178.44 178.48 4req h ALA 387 N 1.32 0.13 0.00 1.53 0.00 -1.14 -1.78 119.26 119.32 4req h ALA 387 Ca 0.30 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 4req h ALA 387 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 4req h ALA 387 CO -0.13 0.36 -1.39 0.39 0.00 0.00 0.00 179.25 178.49 4req n GLU 388 N -4.23 0.62 -0.03 0.00 1.02 -0.47 -3.15 120.64 114.41 4req n GLU 388 Ca -0.09 0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.15 4req n GLU 388 Cb 0.64 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 4req n GLU 388 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 4req n GLU 389 N -2.74 2.76 0.07 3.49 1.02 0.61 -4.63 120.64 121.21 4req n GLU 389 Ca -0.07 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.13 4req n GLU 389 Cb 0.73 -1.13 -0.04 0.00 -0.02 0.00 0.00 31.44 30.98 4req n GLU 389 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 4req h VAL 390 N 0.00 0.28 -6.14 2.62 2.07 -1.21 -3.49 116.25 110.38 4req h VAL 390 Ca -0.14 -1.54 -0.45 0.00 0.82 0.00 0.00 66.70 65.39 4req h VAL 390 Cb 1.30 1.81 0.03 0.00 -1.52 0.00 0.00 31.29 32.90 4req h VAL 390 CO 0.00 0.16 -0.73 0.59 0.02 0.00 0.00 177.57 177.61 4req n ASN 391 N -2.81 -5.37 0.16 0.57 3.02 -0.68 -4.90 115.26 105.26 4req n ASN 391 Ca -0.05 -0.69 0.12 0.00 -0.03 0.00 0.00 54.58 53.93 4req n ASN 391 Cb 0.70 -4.30 0.22 0.00 -0.61 0.00 0.00 39.78 35.80 4req n ASN 391 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 4req h ILE 392 N -2.31 0.00 -0.01 2.41 3.07 -1.74 -3.26 117.51 115.67 4req h ILE 392 Ca -0.58 -0.81 0.00 0.00 1.55 0.00 0.00 64.86 65.02 4req h ILE 392 Cb 1.37 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.66 4req h ILE 392 CO 0.63 0.00 -0.07 0.61 -1.05 0.00 0.00 178.15 178.28 4req n GLY 393 N 1.19 -0.61 0.24 0.16 0.00 -1.26 -4.24 105.19 100.67 4req n GLY 393 Ca 0.04 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.87 4req n GLY 393 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 4req h ARG 394 N 1.10 0.00 -5.72 1.61 2.47 -1.79 -3.44 114.38 108.62 4req h ARG 394 Ca 0.00 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 58.04 4req h ARG 394 Cb 0.35 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 28.34 4req h ARG 394 CO 0.00 0.04 -0.88 0.08 0.56 0.00 0.00 179.97 179.77 4req s VAL 395 N -3.46 2.02 0.02 2.04 1.01 -1.26 -4.20 120.40 116.57 4req s VAL 395 Ca 0.03 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 4req s VAL 395 Cb 0.07 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 4req s VAL 395 CO 0.61 0.56 0.83 0.20 0.00 0.00 0.00 175.10 177.30 4req s ASN 396 N 0.04 7.24 -0.86 3.32 0.01 -1.26 -4.33 114.94 119.10 4req s ASN 396 Ca -0.09 1.49 -0.04 0.00 -0.71 0.00 0.00 52.86 53.51 4req s ASN 396 Cb -0.15 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.01 4req s ASN 396 CO 0.06 -0.09 0.63 -0.67 -1.51 0.00 0.00 177.10 175.51 4req n ASP 397 N 3.28 -5.15 0.15 -1.22 2.03 -1.26 -4.90 116.55 109.48 4req n ASP 397 Ca 0.01 -0.89 0.13 0.00 0.52 0.00 0.00 54.79 54.55 4req n ASP 397 Cb 0.50 -2.16 0.66 0.00 -0.72 0.00 0.00 41.12 39.41 4req n ASP 397 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 4req h PRO 398 N -0.45 0.00 0.00 -0.67 0.13 -1.81 -0.67 132.00 128.53 4req h PRO 398 Ca -0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 4req h PRO 398 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 4req h PRO 398 CO 0.38 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.03 4req n ALA 399 N -2.58 2.47 -1.68 -0.56 0.00 -1.26 -4.87 120.51 112.03 4req n ALA 399 Ca 0.02 -0.10 -0.52 0.00 0.00 0.00 0.00 53.44 52.84 4req n ALA 399 Cb 0.30 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 4req n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 400 N 1.39 1.10 0.65 0.00 0.00 -0.26 -0.21 105.19 107.86 4req n GLY 400 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.92 4req n GLY 400 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 401 N 3.99 2.65 3.67 -0.02 0.00 -1.26 -5.04 105.19 109.17 4req n GLY 401 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 4req n GLY 401 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 4req n SER 402 N 0.00 3.11 0.10 1.61 2.88 0.71 -4.86 113.62 117.17 4req n SER 402 Ca 0.00 1.07 -0.12 0.00 -1.33 0.00 0.00 58.87 58.49 4req n SER 402 Cb 0.00 -1.42 -0.06 0.00 -0.75 0.00 0.00 64.21 61.99 4req n SER 402 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 4req h TYR 403 N 6.27 -0.45 0.38 0.66 0.05 -1.89 -0.48 116.97 121.52 4req h TYR 403 Ca -0.45 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 4req h TYR 403 Cb 1.26 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 39.16 4req h TYR 403 CO 0.65 -0.25 -0.32 -0.92 -1.05 0.00 0.00 178.16 176.27 4req h TYR 404 N -0.34 -0.85 -0.84 4.88 3.20 -1.89 -2.01 116.97 119.12 4req h TYR 404 Ca 0.02 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 4req h TYR 404 Cb 0.35 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 4req h TYR 404 CO -0.17 -0.47 0.55 0.28 -1.64 0.00 0.00 178.16 176.71 4req h VAL 405 N -0.71 1.19 -0.15 1.81 2.07 -1.84 -1.64 116.25 116.97 4req h VAL 405 Ca -0.03 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 4req h VAL 405 Cb 0.62 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 4req h VAL 405 CO -0.02 0.20 0.03 -0.33 0.02 0.00 0.00 177.57 177.47 4req h GLU 406 N 1.11 0.25 0.01 1.57 4.39 -1.10 -1.27 114.58 119.55 4req h GLU 406 Ca 0.32 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.97 4req h GLU 406 Cb -0.09 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 4req h GLU 406 CO -0.08 0.43 -0.15 1.03 -1.16 0.00 0.00 179.01 179.08 4req h SER 407 N 0.04 -0.43 -0.31 1.42 0.87 -1.24 -1.55 113.55 112.35 4req h SER 407 Ca 0.05 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 4req h SER 407 Cb 0.30 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 4req h SER 407 CO 0.00 -0.21 0.12 0.25 -0.53 0.00 0.00 176.83 176.47 4req h LEU 408 N -0.25 0.49 0.32 2.23 5.85 -1.25 -0.62 115.31 122.08 4req h LEU 408 Ca 0.05 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 4req h LEU 408 Cb 0.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.22 4req h LEU 408 CO -0.14 0.47 -0.15 0.74 -0.34 0.00 0.00 178.44 179.02 4req h THR 409 N 0.54 0.70 -0.34 1.05 2.02 -0.94 -1.10 112.91 114.84 4req h THR 409 Ca 0.13 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.96 4req h THR 409 Cb 0.16 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 4req h THR 409 CO -0.01 0.08 0.15 -0.09 0.37 0.00 0.00 175.52 176.02 4req h ARG 410 N -0.64 0.31 -0.34 6.66 1.12 -0.81 -0.90 114.38 119.78 4req h ARG 410 Ca -0.04 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 58.85 4req h ARG 410 Cb 0.46 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 4req h ARG 410 CO 0.07 0.21 0.09 0.77 -3.11 0.00 0.00 179.97 178.00 4req h SER 411 N 0.32 0.06 -0.29 -3.80 0.02 -1.02 -0.03 113.55 108.81 4req h SER 411 Ca 0.15 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 4req h SER 411 Cb 0.08 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 4req h SER 411 CO -0.12 0.07 -0.32 -0.07 -1.14 0.00 0.00 176.83 175.25 4req h LEU 412 N 0.21 0.85 0.59 5.07 3.38 -1.05 -0.95 115.31 123.41 4req h LEU 412 Ca 0.16 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 4req h LEU 412 Cb 0.16 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.68 4req h LEU 412 CO -0.19 1.09 -0.28 0.00 0.09 0.00 0.00 178.44 179.15 4req h ALA 413 N 0.95 -0.79 -0.66 1.53 0.00 -0.78 -1.20 119.26 118.31 4req h ALA 413 Ca 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.84 4req h ALA 413 Cb 0.86 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 4req h ALA 413 CO 0.08 -0.85 0.36 -0.44 0.00 0.00 0.00 179.25 178.40 4req h ASP 414 N -0.98 0.53 -0.09 0.00 3.32 -1.01 -0.10 116.42 118.08 4req h ASP 414 Ca -0.08 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 4req h ASP 414 Cb 0.66 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 4req h ASP 414 CO 0.13 0.34 -0.53 0.00 -1.72 0.00 0.00 179.24 177.46 4req h ALA 415 N 1.35 0.64 0.00 3.45 0.00 -1.17 -2.50 119.26 121.03 4req h ALA 415 Ca 0.30 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 4req h ALA 415 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 4req h ALA 415 CO -0.19 0.68 -0.67 0.00 0.00 0.00 0.00 179.25 179.07 4req h ALA 416 N 0.89 0.80 -0.28 0.00 0.00 -1.00 -2.68 119.26 116.99 4req h ALA 416 Ca 0.02 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 4req h ALA 416 Cb 1.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 4req h ALA 416 CO 0.11 0.84 -0.12 2.35 0.00 0.00 0.00 179.25 182.42 4req h TRP 417 N 0.00 0.67 -0.75 0.00 2.91 -1.01 -1.59 115.95 116.18 4req h TRP 417 Ca -0.01 -0.16 -0.04 0.00 1.13 0.00 0.00 58.89 59.81 4req h TRP 417 Cb 1.26 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.72 4req h TRP 417 CO 0.00 0.82 0.31 -0.22 -1.03 0.00 0.00 178.44 178.32 4req h LYS 418 N 0.33 1.10 -0.18 2.65 3.64 -1.38 -0.15 116.57 122.57 4req h LYS 418 Ca 0.06 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 4req h LYS 418 Cb 0.63 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 4req h LYS 418 CO 0.04 0.88 -0.47 1.49 -2.27 0.00 0.00 179.45 179.12 4req h GLU 419 N 1.08 0.47 -0.01 1.90 4.57 -1.41 -2.35 114.58 118.82 4req h GLU 419 Ca 0.25 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 4req h GLU 419 Cb 0.18 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 4req h GLU 419 CO -0.02 0.84 0.01 0.35 -1.18 0.00 0.00 179.01 179.00 4req h PHE 420 N 0.38 0.02 0.15 0.92 3.57 -0.73 -1.93 116.94 119.32 4req h PHE 420 Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 4req h PHE 420 Cb 0.96 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 4req h PHE 420 CO 0.03 0.12 -0.14 1.96 -2.23 0.00 0.00 178.31 178.05 4req h GLN 421 N -0.08 -0.31 -0.63 1.11 4.20 -0.97 -0.20 115.11 118.23 4req h GLN 421 Ca 0.01 0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.84 4req h GLN 421 Cb 0.10 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 4req h GLN 421 CO -0.00 -0.21 0.21 1.49 -0.67 0.00 0.00 178.83 179.66 4req h GLU 422 N -0.32 0.37 -0.60 1.46 4.57 -1.25 0.15 114.58 118.95 4req h GLU 422 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 4req h GLU 422 Cb 0.30 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 4req h GLU 422 CO -0.03 0.24 0.21 0.28 -1.18 0.00 0.00 179.01 178.53 4req h VAL 423 N 0.38 1.24 -0.48 0.32 2.07 -1.12 -2.93 116.25 115.73 4req h VAL 423 Ca 0.33 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 4req h VAL 423 Cb 0.45 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 4req h VAL 423 CO -0.35 0.30 -0.04 -0.33 0.02 0.00 0.00 177.57 177.17 4req h GLU 424 N 0.84 0.87 -0.38 1.57 4.39 -0.13 0.43 114.58 122.18 4req h GLU 424 Ca 0.20 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.61 4req h GLU 424 Cb 0.25 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 4req h GLU 424 CO -0.01 0.93 0.25 -0.22 -1.16 0.00 0.00 179.01 178.80 4req h LYS 425 N 0.72 0.47 -0.00 2.33 1.63 -0.61 -2.00 116.57 119.11 4req h LYS 425 Ca 0.13 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 4req h LYS 425 Cb 0.57 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.09 4req h LYS 425 CO 0.03 0.31 -0.07 1.28 -3.45 0.00 0.00 179.45 177.55 4req n LEU 426 N -4.48 0.08 0.00 5.20 4.77 -1.12 -4.92 117.00 116.53 4req n LEU 426 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 4req n LEU 426 Cb 0.08 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 4req n LEU 426 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 4req n GLY 427 N 1.49 1.12 0.00 -0.72 0.00 -0.76 -4.82 105.19 101.50 4req n GLY 427 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 4req n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 428 N -0.11 1.73 0.25 -0.02 0.00 0.13 -4.62 105.19 102.56 4req n GLY 428 Ca 0.00 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.99 4req n GLY 428 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 4req h MET 429 N 0.00 0.27 0.05 1.61 4.05 -1.78 -1.39 114.93 117.74 4req h MET 429 Ca 0.00 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 4req h MET 429 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 4req h MET 429 CO 0.00 0.34 -0.03 0.77 0.23 0.00 0.00 176.91 178.23 4req h SER 430 N 0.26 -0.06 0.22 1.39 0.02 -1.92 -1.94 113.55 111.51 4req h SER 430 Ca 0.06 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 4req h SER 430 Cb 0.28 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 4req h SER 430 CO 0.01 0.09 -0.17 0.11 -1.14 0.00 0.00 176.83 175.73 4req h LYS 431 N -0.21 -0.39 -0.73 3.45 1.79 -1.77 -1.18 116.57 117.53 4req h LYS 431 Ca -0.01 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.63 4req h LYS 431 Cb 0.19 0.09 -0.14 0.00 -1.58 0.00 0.00 32.23 30.79 4req h LYS 431 CO 0.01 -0.26 -0.23 0.00 -1.08 0.00 0.00 179.45 177.90 4req h ALA 432 N 0.35 0.36 -0.51 3.86 0.00 -1.07 0.20 119.26 122.46 4req h ALA 432 Ca -0.01 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 4req h ALA 432 Cb 0.36 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 4req h ALA 432 CO -0.01 -0.48 0.08 0.28 0.00 0.00 0.00 179.25 179.11 4req h VAL 433 N -0.04 1.25 -0.32 0.00 2.07 -1.23 -3.16 116.25 114.83 4req h VAL 433 Ca 0.33 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.74 4req h VAL 433 Cb 0.55 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 4req h VAL 433 CO -0.77 0.34 -0.48 0.24 0.02 0.00 0.00 177.57 176.92 4req h MET 434 N 0.72 0.88 0.00 1.57 2.07 0.11 -3.45 114.93 116.83 4req h MET 434 Ca 0.15 -0.52 0.00 0.00 -2.07 0.00 0.00 59.70 57.27 4req h MET 434 Cb 0.41 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 4req h MET 434 CO 0.01 1.16 0.00 2.41 1.07 0.00 0.00 176.91 181.56 4req n THR 435 N -4.03 0.00 1.14 2.22 -1.04 0.56 -4.98 114.28 108.15 4req n THR 435 Ca -0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.10 4req n THR 435 Cb 0.59 -1.30 0.24 0.00 -1.82 0.00 0.00 70.33 68.04 4req n THR 435 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 4req n GLU 436 N -0.47 0.74 -0.01 -2.82 4.71 -1.26 -4.66 120.64 116.86 4req n GLU 436 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 57.16 56.52 4req n GLU 436 Cb 0.00 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 28.85 4req n GLU 436 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 4req h HIS 437 N 1.21 -1.45 0.47 -0.32 2.76 -1.90 0.12 115.15 116.04 4req h HIS 437 Ca 0.00 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 4req h HIS 437 Cb 0.56 0.65 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 4req h HIS 437 CO 0.00 -0.49 -0.37 0.28 -1.30 0.00 0.00 177.93 176.06 4req h VAL 438 N -0.51 0.25 -0.66 5.26 2.07 -1.82 -2.67 116.25 118.18 4req h VAL 438 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 4req h VAL 438 Cb 0.61 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 4req h VAL 438 CO -0.40 0.00 0.25 0.74 0.02 0.00 0.00 177.57 178.18 4req h THR 439 N -0.83 0.74 -0.71 2.57 2.02 -1.83 -1.31 112.91 113.57 4req h THR 439 Ca -0.05 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 4req h THR 439 Cb 0.71 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 4req h THR 439 CO 0.00 0.08 0.22 0.50 0.37 0.00 0.00 175.52 176.69 4req h LYS 440 N 0.43 1.10 -0.12 6.66 3.64 -0.47 -0.71 116.57 127.08 4req h LYS 440 Ca 0.34 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 4req h LYS 440 Cb 0.45 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 4req h LYS 440 CO -0.33 0.94 -0.03 0.28 -2.27 0.00 0.00 179.45 178.04 4req h VAL 441 N 1.04 1.29 -0.66 2.00 2.07 -1.23 -2.67 116.25 118.09 4req h VAL 441 Ca 0.23 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.78 4req h VAL 441 Cb 0.30 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 4req h VAL 441 CO -0.01 0.28 0.43 -0.07 0.02 0.00 0.00 177.57 178.23 4req h LEU 442 N -0.08 0.75 -0.78 2.57 3.38 -1.20 -1.86 115.31 118.08 4req h LEU 442 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 4req h LEU 442 Cb 0.45 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 4req h LEU 442 CO 0.01 0.54 0.43 0.44 0.09 0.00 0.00 178.44 179.95 4req h ASP 443 N 0.88 0.97 0.08 -0.43 3.32 -1.10 0.01 116.42 120.16 4req h ASP 443 Ca 0.24 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.07 4req h ASP 443 Cb -0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 4req h ASP 443 CO -0.06 0.78 -0.45 0.00 -1.72 0.00 0.00 179.24 177.80 4req h ALA 444 N 1.23 0.89 -0.09 3.45 0.00 -1.16 -0.04 119.26 123.53 4req h ALA 444 Ca 0.27 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 4req h ALA 444 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 4req h ALA 444 CO -0.04 0.65 -0.34 0.00 0.00 0.00 0.00 179.25 179.51 4req h ASN 446 N -0.06 0.77 -0.04 0.00 2.35 -0.97 -0.81 115.58 116.82 4req h ASN 446 Ca -0.02 -0.18 -0.22 0.00 -0.55 0.00 0.00 56.30 55.34 4req h ASN 446 Cb 0.98 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.15 4req h ASN 446 CO 0.07 0.82 -0.79 0.00 -1.65 0.00 0.00 177.43 175.88 4req h ALA 447 N 1.27 0.36 -0.10 -0.83 0.00 -1.04 -1.27 119.26 117.65 4req h ALA 447 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 4req h ALA 447 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 4req h ALA 447 CO 0.02 0.70 -0.04 1.49 0.00 0.00 0.00 179.25 181.42 4req h GLU 448 N 0.47 0.20 -0.49 0.00 4.57 -1.33 -3.02 114.58 114.98 4req h GLU 448 Ca -0.05 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 4req h GLU 448 Cb 1.41 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.97 4req h GLU 448 CO 0.16 0.54 0.06 -0.09 -1.18 0.00 0.00 179.01 178.50 4req h ARG 449 N -0.15 0.76 -0.76 1.92 2.43 -1.22 -2.51 114.38 114.86 4req h ARG 449 Ca 0.02 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 4req h ARG 449 Cb 0.47 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 4req h ARG 449 CO 0.01 0.73 0.35 0.00 -1.51 0.00 0.00 179.97 179.56 4req h ALA 450 N 1.34 1.20 0.02 2.80 0.00 -1.18 -0.87 119.26 122.56 4req h ALA 450 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 4req h ALA 450 Cb 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.84 4req h ALA 450 CO 0.01 0.61 -0.01 -0.22 0.00 0.00 0.00 179.25 179.64 4req h LYS 451 N 1.08 -0.02 -0.75 0.00 3.11 -1.39 -2.35 116.57 116.24 4req h LYS 451 Ca 0.26 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 58.05 4req h LYS 451 Cb 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.32 4req h LYS 451 CO -0.03 0.22 0.26 0.00 -2.81 0.00 0.00 179.45 177.09 4req h ARG 452 N -0.26 1.14 -0.37 1.90 3.08 -1.27 -1.69 114.38 116.91 4req h ARG 452 Ca -0.00 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 4req h ARG 452 Cb 0.25 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 4req h ARG 452 CO 0.00 0.96 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.63 4req h LEU 453 N 1.10 0.78 -0.76 3.04 3.38 -1.16 0.05 115.31 121.74 4req h LEU 453 Ca 0.24 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 4req h LEU 453 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 4req h LEU 453 CO -0.01 1.00 -0.30 0.00 0.09 0.00 0.00 178.44 179.22 4req h ALA 454 N 0.80 0.94 -0.04 1.53 0.00 -1.33 -3.07 119.26 118.09 4req h ALA 454 Ca 0.08 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 4req h ALA 454 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 4req h ALA 454 CO 0.05 0.61 0.00 0.27 0.00 0.00 0.00 179.25 180.18 4req n ASN 455 N -4.08 2.19 -1.91 0.00 0.23 -0.64 -0.57 115.26 110.48 4req n ASN 455 Ca -0.01 -1.73 -0.16 0.00 -0.53 0.00 0.00 54.58 52.15 4req n ASN 455 Cb 0.45 -0.01 -0.00 0.00 -2.08 0.00 0.00 39.78 38.14 4req n ASN 455 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 4req n ARG 456 N 0.71 -1.74 0.17 -3.83 1.74 -0.79 -4.48 116.66 108.43 4req n ARG 456 Ca 0.17 0.75 0.12 0.00 -0.77 0.00 0.00 57.85 58.12 4req n ARG 456 Cb 0.46 -5.14 0.23 0.00 -1.02 0.00 0.00 32.46 27.00 4req n ARG 456 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 4req h LYS 457 N -0.21 0.00 -2.73 5.56 1.57 -1.30 -3.25 116.57 116.21 4req h LYS 457 Ca -0.38 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.79 4req h LYS 457 Cb 1.28 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.18 4req h LYS 457 CO 0.44 0.00 -0.75 0.94 -0.57 0.00 0.00 179.45 179.51 4req n GLN 458 N -2.75 1.18 -1.41 3.15 7.27 -1.09 -5.01 117.38 118.72 4req n GLN 458 Ca 0.04 -3.94 -0.31 0.00 0.07 0.00 0.00 57.00 52.86 4req n GLN 458 Cb 0.50 -2.01 0.08 0.00 2.41 0.00 0.00 30.24 31.22 4req n GLN 458 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 4req s PRO 459 N -0.90 2.33 -0.19 3.69 0.04 -1.23 -4.18 135.00 134.56 4req s PRO 459 Ca 0.29 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.30 4req s PRO 459 Cb 0.01 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.67 4req s PRO 459 CO -0.17 -1.53 -0.09 0.42 0.04 0.00 0.00 177.00 175.66 4req s ILE 460 N -3.00 1.52 0.08 0.56 1.01 -1.26 -5.02 121.20 115.10 4req s ILE 460 Ca 0.60 -0.92 -0.34 0.00 0.00 0.00 0.00 60.65 60.00 4req s ILE 460 Cb -0.16 -1.62 -0.13 0.00 0.01 0.00 0.00 42.46 40.57 4req s ILE 460 CO 0.56 0.17 1.70 0.41 0.00 0.00 0.00 174.94 177.77 4req n THR 461 N 4.73 0.21 -1.17 2.92 -1.04 -1.26 -1.05 114.28 117.61 4req n THR 461 Ca -0.14 -0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.77 4req n THR 461 Cb 0.47 -1.70 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 4req n THR 461 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 4req n ALA 462 N 4.60 -0.09 0.06 2.41 0.00 -0.57 -4.74 120.51 122.19 4req n ALA 462 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.72 4req n ALA 462 Cb 0.30 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.58 4req n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 4req n VAL 463 N -2.49 0.61 0.36 0.00 0.31 -0.99 -4.38 118.33 111.75 4req n VAL 463 Ca -0.06 0.20 0.10 0.00 -0.01 0.00 0.00 64.34 64.57 4req n VAL 463 Cb 0.36 -1.07 -0.14 0.00 -0.91 0.00 0.00 33.84 32.08 4req n VAL 463 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 4req n SER 464 N -3.26 0.59 -4.00 4.52 3.41 -0.22 -4.53 113.62 110.13 4req n SER 464 Ca 0.00 -0.38 -0.26 0.00 -0.26 0.00 0.00 58.87 57.97 4req n SER 464 Cb 0.00 1.56 -0.17 0.00 -0.26 0.00 0.00 64.21 65.34 4req n SER 464 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 4req s GLU 465 N -3.19 1.77 -1.06 4.33 0.41 -1.01 -4.86 118.70 115.11 4req s GLU 465 Ca -0.02 -0.41 -0.21 0.00 -0.41 0.00 0.00 54.97 53.93 4req s GLU 465 Cb 0.14 -1.55 0.03 0.00 -1.78 0.00 0.00 34.13 30.97 4req s GLU 465 CO 0.83 -0.06 0.65 1.19 -0.49 0.00 0.00 175.26 177.38 4req n PHE 466 N 4.15 -1.65 -1.92 1.61 3.72 -1.26 -1.52 117.46 120.58 4req n PHE 466 Ca -0.20 0.38 -0.29 0.00 -0.05 0.00 0.00 57.45 57.29 4req n PHE 466 Cb 0.51 -2.77 0.06 0.00 -0.94 0.00 0.00 39.48 36.35 4req n PHE 466 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 4req s PRO 467 N -6.43 2.46 -0.11 -1.08 0.04 -1.26 -4.42 135.00 124.20 4req s PRO 467 Ca 0.29 0.27 -0.01 0.00 0.04 0.00 0.00 61.00 61.59 4req s PRO 467 Cb -0.16 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.40 4req s PRO 467 CO 0.94 -1.27 -0.04 1.41 0.04 0.00 0.00 177.00 178.09 4req s MET 468 N -5.44 1.12 0.11 4.56 1.75 -1.26 -4.94 119.30 115.19 4req s MET 468 Ca 0.60 -0.15 -0.31 0.00 -1.25 0.00 0.00 55.69 54.58 4req s MET 468 Cb -0.11 -1.42 -0.09 0.00 2.84 0.00 0.00 34.83 36.05 4req s MET 468 CO 0.50 -0.32 1.67 0.42 -0.65 0.00 0.00 175.02 176.65 4req s ILE 469 N 1.81 2.81 0.00 10.11 1.01 -1.26 -1.63 121.20 134.05 4req s ILE 469 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.06 4req s ILE 469 Cb -0.13 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.10 4req s ILE 469 CO -0.07 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.49 4req n GLY 470 N 3.99 0.55 3.73 6.18 0.00 -1.26 -5.00 105.19 113.37 4req n GLY 470 Ca 0.16 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 4req n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req n ALA 471 N 0.03 2.43 -1.53 4.61 0.00 -0.64 -4.85 120.51 120.55 4req n ALA 471 Ca 0.00 0.39 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 4req n ALA 471 Cb 0.12 -2.46 -0.01 0.00 0.00 0.00 0.00 19.45 17.10 4req n ALA 471 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 4req n ARG 472 N 2.78 0.94 -1.89 0.00 0.63 -1.26 -4.59 116.66 113.27 4req n ARG 472 Ca 0.12 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 4req n ARG 472 Cb 0.35 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.64 4req n ARG 472 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 4req n SER 473 N 1.35 1.66 -3.97 6.15 2.88 -1.26 -4.26 113.62 116.16 4req n SER 473 Ca 0.12 -0.94 -0.09 0.00 -1.33 0.00 0.00 58.87 56.62 4req n SER 473 Cb 0.32 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.68 4req n SER 473 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 4req s ILE 474 N -1.07 0.12 0.23 2.46 2.07 -1.26 -5.04 121.20 118.71 4req s ILE 474 Ca 0.00 -1.02 -0.30 0.00 -1.41 0.00 0.00 60.65 57.92 4req s ILE 474 Cb 0.00 -0.52 -0.09 0.00 0.13 0.00 0.00 42.46 41.98 4req s ILE 474 CO 0.00 -0.56 0.98 -1.61 -1.91 0.00 0.00 174.94 171.84 4req s GLU 475 N -1.91 4.79 0.07 3.50 0.41 -1.26 -5.05 118.70 119.26 4req s GLU 475 Ca -0.12 1.56 -0.03 0.00 -0.41 0.00 0.00 54.97 55.98 4req s GLU 475 Cb -0.06 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 28.98 4req s GLU 475 CO -0.02 0.41 0.03 0.95 -0.49 0.00 0.00 175.26 176.14 4req s THR 476 N -1.02 0.19 -0.12 3.63 -4.23 -1.26 -4.46 115.64 108.36 4req s THR 476 Ca 0.43 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 59.03 4req s THR 476 Cb -0.27 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 4req s THR 476 CO 0.34 -0.85 0.56 -0.54 -0.54 0.00 0.00 174.62 173.59 4req s LYS 477 N -3.93 4.34 0.56 3.99 1.02 0.11 -4.85 119.74 120.99 4req s LYS 477 Ca 0.09 0.59 -0.20 0.00 0.02 0.00 0.00 55.97 56.47 4req s LYS 477 Cb 0.07 -3.46 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 4req s LYS 477 CO -0.08 0.07 0.99 -2.30 -0.92 0.00 0.00 175.35 173.11 4req n PRO 478 N 3.93 1.04 -2.57 -1.68 -0.02 -1.26 0.23 135.00 134.67 4req n PRO 478 Ca -0.05 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 4req n PRO 478 Cb 0.51 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 4req n PRO 478 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 4req s PHE 479 N -1.46 3.72 0.43 6.00 0.08 -1.26 -4.66 117.98 120.83 4req s PHE 479 Ca 0.73 1.76 -0.26 0.00 0.12 0.00 0.00 56.93 59.28 4req s PHE 479 Cb -0.44 -3.18 -0.09 0.00 -0.57 0.00 0.00 43.02 38.74 4req s PHE 479 CO 0.49 -0.21 1.38 -2.30 -0.10 0.00 0.00 175.22 174.48 4req n PRO 480 N 1.50 2.18 -1.61 0.24 -0.02 -1.26 -4.88 135.00 131.15 4req n PRO 480 Ca -0.01 0.78 -0.40 0.00 -2.02 0.00 0.00 63.50 61.85 4req n PRO 480 Cb 0.46 -2.55 0.03 0.00 -0.02 0.00 0.00 33.50 31.41 4req n PRO 480 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 4req n ALA 481 N -0.15 0.25 -2.95 3.55 0.00 -1.26 -4.87 120.51 115.07 4req n ALA 481 Ca 0.05 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 4req n ALA 481 Cb 0.40 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 4req n ALA 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4req s ALA 482 N -1.36 2.76 0.13 0.00 0.00 -1.26 -4.52 121.76 117.51 4req s ALA 482 Ca 0.67 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.44 4req s ALA 482 Cb -0.50 -1.29 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 4req s ALA 482 CO 0.54 0.29 1.78 -1.25 0.00 0.00 0.00 175.76 177.12 4req s PRO 483 N 0.17 4.15 0.59 0.00 0.05 -1.26 -4.92 135.00 133.77 4req s PRO 483 Ca -0.05 2.55 -0.18 0.00 0.05 0.00 0.00 61.00 63.37 4req s PRO 483 Cb -0.15 -3.48 -0.07 0.00 0.05 0.00 0.00 34.50 30.85 4req s PRO 483 CO 0.04 -0.80 0.60 0.00 0.05 0.00 0.00 177.00 176.89 4req n ALA 484 N 5.30 -0.96 -2.45 8.56 0.00 -1.26 -5.01 120.51 124.68 4req n ALA 484 Ca 0.17 -0.05 -0.23 0.00 0.00 0.00 0.00 53.44 53.34 4req n ALA 484 Cb 0.38 -1.88 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 4req n ALA 484 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 4req s ARG 485 N -2.29 1.32 -0.01 0.00 0.52 -1.26 -5.05 118.95 112.19 4req s ARG 485 Ca 0.70 -1.42 0.20 0.00 -0.52 0.00 0.00 55.73 54.68 4req s ARG 485 Cb -0.43 -1.43 -0.23 0.00 0.52 0.00 0.00 34.95 33.38 4req s ARG 485 CO 0.53 0.29 0.75 1.63 0.02 0.00 0.00 175.30 178.52 4req n LYS 486 N 0.30 0.57 0.00 3.54 5.02 -1.20 -4.99 118.16 121.40 4req n LYS 486 Ca -0.13 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 4req n LYS 486 Cb 0.57 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 4req n LYS 486 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 4req n GLY 487 N 1.44 -0.59 3.61 0.72 0.00 -1.21 -4.61 105.19 104.55 4req n GLY 487 Ca 0.02 -1.64 -0.57 0.00 0.00 0.00 0.00 46.02 43.83 4req n GLY 487 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 4req n LEU 488 N 0.00 1.29 -4.78 0.99 4.77 -0.71 -4.91 117.00 113.64 4req n LEU 488 Ca 0.00 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 4req n LEU 488 Cb 0.00 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 4req n LEU 488 CO 0.00 -1.13 0.75 0.00 -1.33 0.00 0.00 177.39 175.68 4req s ALA 489 N 1.29 3.05 -0.30 -1.18 0.00 -1.26 -4.90 121.76 118.45 4req s ALA 489 Ca 0.92 0.73 0.03 0.00 0.00 0.00 0.00 51.96 53.64 4req s ALA 489 Cb -1.13 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 18.78 4req s ALA 489 CO 0.58 -0.29 -0.00 -1.58 0.00 0.00 0.00 175.76 174.47 4req s TRP 490 N -1.67 3.33 -0.14 0.00 0.52 -1.26 -4.09 118.94 115.63 4req s TRP 490 Ca 0.59 -2.59 0.00 0.00 0.02 0.00 0.00 56.10 54.13 4req s TRP 490 Cb -0.23 -2.41 0.03 0.00 -1.15 0.00 0.00 33.47 29.72 4req s TRP 490 CO 0.28 -0.91 -0.10 -1.01 0.02 0.00 0.00 176.95 175.23 4req s HIS 491 N 1.06 1.89 0.54 -1.98 3.76 -1.24 -5.01 115.29 114.32 4req s HIS 491 Ca 0.03 -1.07 -0.20 0.00 -0.15 0.00 0.00 55.06 53.67 4req s HIS 491 Cb -0.19 -1.44 -0.06 0.00 1.11 0.00 0.00 32.58 32.00 4req s HIS 491 CO -0.08 -0.62 1.16 1.03 -0.85 0.00 0.00 174.74 175.39 4req s ARG 492 N 1.58 3.34 0.41 1.40 0.52 -1.26 -4.88 118.95 120.05 4req s ARG 492 Ca 0.04 1.72 0.13 0.00 -0.52 0.00 0.00 55.73 57.10 4req s ARG 492 Cb -0.13 -2.08 0.96 0.00 0.52 0.00 0.00 34.95 34.22 4req s ARG 492 CO -0.09 -0.88 1.92 -0.44 0.02 0.00 0.00 175.30 175.83 4req h ASP 493 N 1.31 0.47 -0.01 0.23 5.19 -1.41 -2.71 116.42 119.50 4req h ASP 493 Ca -0.50 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 4req h ASP 493 Cb 1.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.70 4req h ASP 493 CO 0.57 0.26 0.00 -1.54 -3.12 0.00 0.00 179.24 175.41 4req n SER 494 N -4.49 0.40 -0.28 6.45 3.41 -1.26 -4.25 113.62 113.60 4req n SER 494 Ca 0.14 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 4req n SER 494 Cb 0.46 -0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.54 4req n SER 494 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 4req h GLU 495 N 0.63 0.80 -0.93 4.33 5.08 -1.85 -0.31 114.58 122.34 4req h GLU 495 Ca 0.00 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 4req h GLU 495 Cb 0.13 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 4req h GLU 495 CO 0.00 0.53 0.60 -0.24 -1.00 0.00 0.00 179.01 178.89 4req h VAL 496 N 0.82 1.01 0.04 3.13 3.04 -1.83 -1.51 116.25 120.95 4req h VAL 496 Ca 0.35 -0.34 -0.24 0.00 -1.01 0.00 0.00 66.70 65.47 4req h VAL 496 Cb 0.22 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.44 4req h VAL 496 CO -0.19 0.18 -1.03 -0.26 -1.01 0.00 0.00 177.57 175.26 4req h PHE 497 N 0.99 0.54 -0.37 3.17 0.04 -1.68 -3.25 116.94 116.38 4req h PHE 497 Ca 0.42 -0.32 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 4req h PHE 497 Cb 0.32 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 4req h PHE 497 CO -0.00 1.17 -0.01 0.93 -0.60 0.00 0.00 178.31 179.80 4req h GLU 498 N 0.17 0.58 -0.45 1.51 5.08 -0.28 -1.63 114.58 119.56 4req h GLU 498 Ca -0.09 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 4req h GLU 498 Cb 1.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 4req h GLU 498 CO 0.17 0.61 0.01 1.96 -1.00 0.00 0.00 179.01 180.76 4req h GLN 499 N 0.55 0.79 -0.19 2.33 4.20 -1.38 0.44 115.11 121.86 4req h GLN 499 Ca 0.12 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 4req h GLN 499 Cb 0.36 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 4req h GLN 499 CO 0.01 0.84 0.11 -0.07 -0.67 0.00 0.00 178.83 179.06 4req h LEU 500 N 0.63 0.22 -0.88 1.46 3.38 -1.50 -1.98 115.31 116.64 4req h LEU 500 Ca 0.13 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.12 4req h LEU 500 Cb 0.48 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 4req h LEU 500 CO 0.02 0.20 0.55 0.24 0.09 0.00 0.00 178.44 179.55 4req h MET 501 N 0.22 0.96 -0.54 1.13 2.86 -1.11 -2.64 114.93 115.81 4req h MET 501 Ca 0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 4req h MET 501 Cb 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 4req h MET 501 CO -0.01 0.64 0.20 -0.44 1.06 0.00 0.00 176.91 178.36 4req h ASP 502 N 0.99 0.71 -0.54 1.22 3.32 -0.39 -2.08 116.42 119.64 4req h ASP 502 Ca 0.39 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.26 4req h ASP 502 Cb 0.20 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 4req h ASP 502 CO -0.18 0.65 0.01 0.03 -1.72 0.00 0.00 179.24 178.03 4req h ARG 503 N 0.77 0.98 0.00 3.56 3.08 -1.01 -2.01 114.38 119.75 4req h ARG 503 Ca 0.18 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.94 4req h ARG 503 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.12 4req h ARG 503 CO -0.02 0.96 -0.14 0.77 -1.07 0.00 0.00 179.97 180.47 4req h SER 504 N 0.90 0.00 0.95 7.04 0.02 -1.41 -3.26 113.55 117.79 4req h SER 504 Ca 0.17 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 4req h SER 504 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 4req h SER 504 CO 0.03 0.01 -1.12 0.74 -1.14 0.00 0.00 176.83 175.34 4req h THR 505 N 0.00 0.57 0.00 -2.27 2.02 -1.27 -3.37 112.91 108.59 4req h THR 505 Ca 0.00 -1.99 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 4req h THR 505 Cb 0.91 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.42 4req h THR 505 CO 0.00 0.32 -0.22 0.77 0.37 0.00 0.00 175.52 176.77 4req h SER 506 N 0.00 0.00 -3.31 4.18 4.64 -1.41 -3.44 113.55 114.21 4req h SER 506 Ca -0.10 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.70 4req h SER 506 Cb 1.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 4req h SER 506 CO 0.05 0.22 -0.11 -0.69 -0.87 0.00 0.00 176.83 175.43 4req s VAL 507 N -3.90 4.98 0.03 0.95 1.01 -1.26 -5.04 120.40 117.18 4req s VAL 507 Ca -0.01 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 4req s VAL 507 Cb 0.12 -3.71 -0.17 0.00 0.00 0.00 0.00 36.38 32.62 4req s VAL 507 CO 0.63 -0.30 1.26 0.77 0.00 0.00 0.00 175.10 177.46 4req h SER 508 N 1.80 0.47 -3.62 3.32 4.64 -1.90 -3.42 113.55 114.85 4req h SER 508 Ca -0.47 -0.58 -0.69 0.00 -0.47 0.00 0.00 61.79 59.57 4req h SER 508 Cb 1.19 -0.14 -0.25 0.00 -0.31 0.00 0.00 62.40 62.89 4req h SER 508 CO 0.66 0.97 -0.55 -0.70 -0.87 0.00 0.00 176.83 176.34 4req s GLU 509 N -3.90 2.94 0.05 4.77 -6.30 -1.26 -5.05 118.70 109.95 4req s GLU 509 Ca -0.14 -0.99 -0.35 0.00 -2.50 0.00 0.00 54.97 50.99 4req s GLU 509 Cb 0.05 -3.61 -0.14 0.00 0.00 0.00 0.00 34.13 30.43 4req s GLU 509 CO 0.78 -0.60 1.62 -2.13 0.02 0.00 0.00 175.26 174.95 4req n ARG 510 N 4.95 1.88 -1.65 4.30 0.63 -1.26 -4.90 116.66 120.61 4req n ARG 510 Ca -0.13 0.68 -0.40 0.00 -0.92 0.00 0.00 57.85 57.09 4req n ARG 510 Cb 0.47 -2.44 0.03 0.00 0.45 0.00 0.00 32.46 30.97 4req n ARG 510 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 4req n PRO 511 N 4.16 1.40 -4.09 -0.14 -0.02 -1.26 -4.78 135.00 130.26 4req n PRO 511 Ca 0.19 0.51 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 4req n PRO 511 Cb 0.26 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 4req n PRO 511 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 4req s LYS 512 N -2.37 0.62 -0.11 -0.52 -2.85 -1.26 -1.35 119.74 111.89 4req s LYS 512 Ca 0.67 -1.06 -0.02 0.00 -1.00 0.00 0.00 55.97 54.56 4req s LYS 512 Cb -0.49 -0.06 0.04 0.00 -2.06 0.00 0.00 37.83 35.26 4req s LYS 512 CO 0.53 -0.03 -0.00 0.08 0.10 0.00 0.00 175.35 176.03 4req s VAL 513 N -2.87 0.52 -0.11 1.79 1.01 -0.64 -4.57 120.40 115.54 4req s VAL 513 Ca 0.01 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 4req s VAL 513 Cb 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 4req s VAL 513 CO -0.04 0.14 1.15 0.12 0.00 0.00 0.00 175.10 176.47 4req s PHE 514 N 1.90 3.21 -0.44 5.22 5.36 -0.52 -3.68 117.98 129.03 4req s PHE 514 Ca 0.03 1.28 -0.21 0.00 -0.96 0.00 0.00 56.93 57.08 4req s PHE 514 Cb -0.14 -3.37 0.02 0.00 -0.34 0.00 0.00 43.02 39.20 4req s PHE 514 CO -0.06 -1.06 0.66 -0.51 -1.46 0.00 0.00 175.22 172.78 4req s LEU 515 N 2.53 4.49 -1.10 6.12 1.43 0.59 -0.66 118.68 132.08 4req s LEU 515 Ca 0.53 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 4req s LEU 515 Cb -0.22 -2.75 0.18 0.00 0.03 0.00 0.00 46.19 43.44 4req s LEU 515 CO 0.18 -0.80 1.27 0.00 0.23 0.00 0.00 176.35 177.23 4req s ALA 516 N 2.87 3.96 -0.06 4.21 0.00 -0.36 -1.80 121.76 130.58 4req s ALA 516 Ca 0.23 -3.29 -0.30 0.00 0.00 0.00 0.00 51.96 48.61 4req s ALA 516 Cb -0.14 -3.99 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 4req s ALA 516 CO 0.19 -2.71 1.00 0.00 0.00 0.00 0.00 175.76 174.24 4req s LEU 518 N 1.62 3.47 0.00 0.00 1.43 -0.87 -1.02 118.68 123.31 4req s LEU 518 Ca 0.50 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 4req s LEU 518 Cb -0.19 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.11 4req s LEU 518 CO 0.22 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.73 4req n GLY 519 N 1.70 -1.67 3.97 -3.19 0.00 -1.26 -4.08 105.19 100.66 4req n GLY 519 Ca -0.16 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 4req n GLY 519 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 520 N 0.00 2.37 0.27 2.61 -4.23 -1.26 -3.74 115.64 111.67 4req s THR 520 Ca 0.00 -0.53 -0.02 0.00 -1.18 0.00 0.00 61.69 59.96 4req s THR 520 Cb 0.00 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.27 4req s THR 520 CO 0.00 0.00 1.90 -0.09 -0.54 0.00 0.00 174.62 175.89 4req h ARG 521 N -0.34 1.14 -0.81 3.99 2.43 -1.92 -1.66 114.38 117.20 4req h ARG 521 Ca -0.41 -0.07 0.13 0.00 -0.81 0.00 0.00 59.98 58.83 4req h ARG 521 Cb 1.29 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 30.49 4req h ARG 521 CO 0.49 0.75 0.41 -0.09 -1.51 0.00 0.00 179.97 180.02 4req h ARG 522 N 1.17 0.60 0.11 0.20 2.43 -1.99 0.66 114.38 117.56 4req h ARG 522 Ca 0.41 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 4req h ARG 522 Cb 0.11 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 4req h ARG 522 CO -0.15 0.40 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.22 4req h ASP 523 N 0.62 -0.12 0.17 -3.80 3.32 -1.66 -3.39 116.42 111.56 4req h ASP 523 Ca 0.43 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 57.02 4req h ASP 523 Cb 0.56 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.14 4req h ASP 523 CO -0.34 0.47 -0.30 2.22 -1.72 0.00 0.00 179.24 179.58 4req n PHE 524 N -4.87 0.00 -0.05 4.55 1.16 -0.89 -2.42 117.46 114.95 4req n PHE 524 Ca -0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.38 4req n PHE 524 Cb 0.28 -0.09 -0.06 0.00 -1.61 0.00 0.00 39.48 38.01 4req n PHE 524 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 4req h GLY 525 N 4.91 -0.67 -0.03 4.97 0.00 -1.06 -1.27 103.07 109.92 4req h GLY 525 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.87 4req h GLY 525 CO 0.00 -0.21 -0.05 -1.33 0.00 0.00 0.00 176.54 174.95 4req h GLY 526 N -0.44 -1.69 0.67 4.60 0.00 -1.83 -1.48 103.07 102.90 4req h GLY 526 Ca 0.10 0.75 0.11 0.00 0.00 0.00 0.00 47.33 48.29 4req h GLY 526 CO -0.46 -0.62 0.57 3.21 0.00 0.00 0.00 176.54 179.24 4req h ARG 527 N -0.05 0.79 -0.39 4.80 -0.00 -1.85 -1.85 114.38 115.84 4req h ARG 527 Ca 0.01 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.98 59.29 4req h ARG 527 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 29.97 29.85 4req h ARG 527 CO -0.05 0.52 -0.32 1.49 0.00 0.00 0.00 179.97 181.61 4req h GLU 528 N 0.81 0.90 -0.56 0.04 4.22 -1.08 -1.39 114.58 117.53 4req h GLU 528 Ca 0.42 -0.45 0.04 0.00 0.08 0.00 0.00 59.36 59.45 4req h GLU 528 Cb 0.51 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 4req h GLU 528 CO -0.18 1.11 0.37 0.78 -2.18 0.00 0.00 179.01 178.90 4req h GLY 529 N 0.72 0.70 0.00 1.92 0.00 -0.43 -1.73 103.07 104.25 4req h GLY 529 Ca 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 4req h GLY 529 CO 0.08 0.19 -0.17 -2.75 0.00 0.00 0.00 176.54 173.90 4req h PHE 530 N 0.59 0.00 -0.15 5.60 3.57 -1.45 -3.41 116.94 121.70 4req h PHE 530 Ca 0.23 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 4req h PHE 530 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 4req h PHE 530 CO -0.00 0.64 0.01 0.77 -2.23 0.00 0.00 178.31 177.51 4req h SER 531 N -1.00 0.24 -0.29 0.41 0.02 -1.16 -3.23 113.55 108.54 4req h SER 531 Ca -0.04 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.66 4req h SER 531 Cb 0.66 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 4req h SER 531 CO -0.02 0.47 -0.23 -1.28 -1.14 0.00 0.00 176.83 174.62 4req h SER 532 N 0.01 -0.82 -0.84 3.07 0.87 -1.55 -1.29 113.55 113.00 4req h SER 532 Ca 0.04 0.12 0.14 0.00 -1.23 0.00 0.00 61.79 60.86 4req h SER 532 Cb 0.33 0.35 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 4req h SER 532 CO 0.00 -0.13 0.55 -0.65 -0.53 0.00 0.00 176.83 176.07 4req h PRO 533 N -0.08 0.62 0.04 2.24 0.11 -1.78 -2.48 132.00 130.67 4req h PRO 533 Ca 0.05 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.14 4req h PRO 533 Cb 0.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 4req h PRO 533 CO -0.31 0.41 -0.14 0.28 -0.21 0.00 0.00 178.00 178.03 4req h VAL 534 N 0.64 0.67 -0.67 3.15 2.07 -1.25 -2.38 116.25 118.48 4req h VAL 534 Ca 0.42 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.99 4req h VAL 534 Cb 0.70 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 4req h VAL 534 CO -0.17 0.00 0.39 -0.50 0.02 0.00 0.00 177.57 177.30 4req h TRP 535 N -0.25 0.71 0.00 1.57 4.06 -1.25 -2.57 115.95 118.22 4req h TRP 535 Ca 0.03 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.00 4req h TRP 535 Cb 0.29 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 4req h TRP 535 CO -0.17 0.36 -0.02 0.45 -3.56 0.00 0.00 178.44 175.50 4req h HIS 536 N 0.72 0.00 -0.71 0.49 3.86 -1.01 -2.71 115.15 115.79 4req h HIS 536 Ca 0.29 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.62 4req h HIS 536 Cb 0.15 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.54 4req h HIS 536 CO -0.07 0.02 0.32 0.82 0.86 0.00 0.00 177.93 179.88 4req h ILE 537 N 0.00 0.77 -0.01 2.45 2.04 -1.13 -1.99 117.51 119.63 4req h ILE 537 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 4req h ILE 537 Cb 0.07 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 4req h ILE 537 CO 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 178.15 178.20 4req n ALA 538 N -2.45 2.67 -1.63 1.87 0.00 -1.15 -4.42 120.51 115.39 4req n ALA 538 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.17 4req n ALA 538 Cb 0.33 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.55 4req n ALA 538 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 539 N 1.18 0.44 3.59 0.00 0.00 -0.75 -3.87 105.19 105.78 4req n GLY 539 Ca 0.18 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 4req n GLY 539 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4req s ILE 540 N -2.00 5.00 0.74 -0.61 1.01 -1.03 -4.64 121.20 119.67 4req s ILE 540 Ca 0.00 0.64 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 4req s ILE 540 Cb 0.00 -3.94 0.05 0.00 0.01 0.00 0.00 42.46 38.57 4req s ILE 540 CO 0.00 -0.12 1.18 -1.81 0.00 0.00 0.00 174.94 174.19 4req s ASP 541 N 1.68 4.18 -0.53 3.58 1.01 -0.46 -3.70 116.67 122.43 4req s ASP 541 Ca 0.21 2.28 0.04 0.00 0.71 0.00 0.00 52.55 55.79 4req s ASP 541 Cb -0.15 -2.58 0.17 0.00 1.01 0.00 0.00 42.92 41.37 4req s ASP 541 CO 0.12 -2.27 0.40 0.42 0.21 0.00 0.00 175.17 174.05 4req s THR 542 N -2.13 1.40 0.61 -1.27 -4.23 -1.26 -1.62 115.64 107.14 4req s THR 542 Ca 0.72 -3.30 -0.18 0.00 -1.18 0.00 0.00 61.69 57.76 4req s THR 542 Cb -0.27 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.60 4req s THR 542 CO 0.46 -1.13 1.16 -2.16 -0.54 0.00 0.00 174.62 172.41 4req s PRO 543 N -0.54 2.95 0.31 3.99 0.04 -1.24 -4.73 135.00 135.78 4req s PRO 543 Ca 0.29 1.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 4req s PRO 543 Cb -0.01 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.60 4req s PRO 543 CO -0.18 -1.18 0.58 1.14 0.04 0.00 0.00 177.00 177.41 4req s GLN 544 N -3.58 1.83 -0.00 4.56 -2.07 -1.26 -0.30 119.66 118.83 4req s GLN 544 Ca 0.73 -1.38 0.04 0.00 -1.82 0.00 0.00 55.36 52.93 4req s GLN 544 Cb -0.26 0.52 -0.01 0.00 -1.09 0.00 0.00 33.01 32.17 4req s GLN 544 CO 0.35 -0.80 -0.13 0.54 -1.32 0.00 0.00 175.29 173.93 4req s VAL 545 N -3.38 1.01 -1.16 3.63 0.11 -0.74 -4.93 120.40 114.93 4req s VAL 545 Ca 0.21 -0.60 -0.09 0.00 -2.93 0.00 0.00 61.98 58.58 4req s VAL 545 Cb -0.02 -0.85 0.24 0.00 -1.53 0.00 0.00 36.38 34.22 4req s VAL 545 CO 0.12 0.24 1.44 -0.62 -3.33 0.00 0.00 175.10 172.95 4req n GLU 546 N 2.66 3.80 0.00 1.54 1.02 -1.26 -2.96 120.64 125.43 4req n GLU 546 Ca -0.14 -4.18 0.00 0.00 -0.02 0.00 0.00 57.16 52.82 4req n GLU 546 Cb 0.56 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 4req n GLU 546 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4req n GLY 547 N 2.60 -0.10 0.00 0.62 0.00 -0.19 -4.91 105.19 103.21 4req n GLY 547 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.31 4req n GLY 547 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4req n GLY 548 N 0.00 -1.90 3.68 -0.02 0.00 -1.26 -4.60 105.19 101.08 4req n GLY 548 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 4req n GLY 548 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 4req s THR 549 N -0.96 1.94 0.25 2.61 -4.23 -1.26 -4.73 115.64 109.26 4req s THR 549 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 4req s THR 549 Cb 0.00 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.57 4req s THR 549 CO 0.00 0.00 1.92 0.74 -0.54 0.00 0.00 174.62 176.74 4req h THR 550 N -1.98 1.25 0.45 3.99 2.02 -1.99 -0.57 112.91 116.07 4req h THR 550 Ca -0.53 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 4req h THR 550 Cb 1.33 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 4req h THR 550 CO 0.55 0.24 -0.21 0.00 0.37 0.00 0.00 175.52 176.47 4req h ALA 551 N 1.36 -0.60 -0.39 6.16 0.00 -1.98 -1.56 119.26 122.25 4req h ALA 551 Ca 0.36 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.20 4req h ALA 551 Cb -0.14 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 4req h ALA 551 CO -0.08 -0.81 -0.08 0.93 0.00 0.00 0.00 179.25 179.21 4req h GLU 552 N -0.65 0.02 0.27 0.00 5.08 -1.79 0.20 114.58 117.71 4req h GLU 552 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 4req h GLU 552 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 4req h GLU 552 CO 0.10 0.01 -0.13 0.82 -1.00 0.00 0.00 179.01 178.81 4req h ILE 553 N 0.02 0.76 -0.66 3.13 2.04 -1.05 -1.87 117.51 119.88 4req h ILE 553 Ca 0.19 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.89 4req h ILE 553 Cb 0.28 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 4req h ILE 553 CO -0.38 0.04 0.38 0.58 0.00 0.00 0.00 178.15 178.77 4req h VAL 554 N -0.47 1.01 0.09 1.67 2.07 -0.92 -0.20 116.25 119.50 4req h VAL 554 Ca -0.04 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 4req h VAL 554 Cb 0.35 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 4req h VAL 554 CO 0.06 0.13 -0.07 -0.08 0.02 0.00 0.00 177.57 177.63 4req h GLU 555 N 0.72 -0.16 -0.51 1.57 4.57 -0.49 0.75 114.58 121.04 4req h GLU 555 Ca 0.28 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.55 4req h GLU 555 Cb 0.12 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 4req h GLU 555 CO -0.15 -0.11 0.16 0.00 -1.18 0.00 0.00 179.01 177.73 4req h ALA 556 N 0.74 0.61 0.14 2.92 0.00 -0.92 0.29 119.26 123.03 4req h ALA 556 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 556 Cb 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 4req h ALA 556 CO -0.01 -0.24 -0.11 0.35 0.00 0.00 0.00 179.25 179.24 4req h PHE 557 N 0.33 -0.28 -0.14 0.00 3.57 -0.76 -0.57 116.94 119.08 4req h PHE 557 Ca 0.25 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.76 4req h PHE 557 Cb 0.29 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 4req h PHE 557 CO -0.18 -0.17 0.07 0.87 -2.23 0.00 0.00 178.31 176.67 4req h LYS 558 N -0.26 0.14 -0.50 1.11 1.57 -0.17 -2.91 116.57 115.56 4req h LYS 558 Ca -0.00 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 4req h LYS 558 Cb 0.23 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 4req h LYS 558 CO -0.01 0.09 0.34 -0.22 -0.57 0.00 0.00 179.45 179.08 4req h LYS 559 N 0.14 0.45 -0.57 3.15 1.63 -0.19 -3.06 116.57 118.13 4req h LYS 559 Ca 0.06 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 4req h LYS 559 Cb 0.01 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 4req h LYS 559 CO -0.04 0.30 0.16 0.66 -3.45 0.00 0.00 179.45 177.08 4req h SER 560 N 0.46 0.84 0.00 4.20 4.64 -0.90 -3.48 113.55 119.32 4req h SER 560 Ca 0.22 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 4req h SER 560 Cb 0.27 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 4req h SER 560 CO -0.06 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 4req n GLY 561 N -0.66 0.76 3.85 -0.77 0.00 -1.16 -5.07 105.19 102.14 4req n GLY 561 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 4req n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 562 N -2.25 3.15 -0.13 4.61 0.00 -1.26 -4.98 121.76 120.90 4req s ALA 562 Ca 0.00 0.11 0.19 0.00 0.00 0.00 0.00 51.96 52.25 4req s ALA 562 Cb 0.00 -3.00 -0.24 0.00 0.00 0.00 0.00 23.12 19.88 4req s ALA 562 CO 0.00 -0.11 0.41 1.04 0.00 0.00 0.00 175.76 177.10 4req n GLN 563 N -1.34 0.66 -4.53 0.00 6.02 -1.26 -4.89 117.38 112.04 4req n GLN 563 Ca 0.05 0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 4req n GLN 563 Cb 0.54 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 30.08 4req n GLN 563 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 4req s VAL 564 N -2.90 3.44 0.07 5.09 1.01 -1.26 0.07 120.40 125.92 4req s VAL 564 Ca -0.07 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.09 4req s VAL 564 Cb 0.09 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 4req s VAL 564 CO 0.85 0.40 -0.08 0.00 0.00 0.00 0.00 175.10 176.26 4req s ALA 565 N -0.96 0.82 -0.13 5.51 0.00 -0.77 -1.43 121.76 124.79 4req s ALA 565 Ca 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.11 4req s ALA 565 Cb -0.11 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.09 4req s ALA 565 CO 0.06 -0.07 -0.13 0.34 0.00 0.00 0.00 175.76 175.97 4req s ASP 566 N -2.14 2.49 -0.14 0.00 2.15 0.17 0.05 116.67 119.25 4req s ASP 566 Ca -0.01 -0.43 -0.29 0.00 0.43 0.00 0.00 52.55 52.25 4req s ASP 566 Cb -0.05 -1.07 -0.01 0.00 -0.30 0.00 0.00 42.92 41.49 4req s ASP 566 CO -0.01 -0.05 1.09 -0.76 -0.17 0.00 0.00 175.17 175.27 4req s LEU 567 N 1.42 4.20 -0.16 -1.34 1.43 0.70 -1.22 118.68 123.70 4req s LEU 567 Ca 0.02 1.56 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 4req s LEU 567 Cb -0.13 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.58 4req s LEU 567 CO -0.08 -0.59 -0.04 0.00 0.23 0.00 0.00 176.35 175.87 4req n SER 569 N 4.90 -1.02 -4.89 0.00 2.88 -1.26 -2.05 113.62 112.18 4req n SER 569 Ca -0.11 -1.51 -0.28 0.00 -1.33 0.00 0.00 58.87 55.64 4req n SER 569 Cb 0.48 1.65 0.09 0.00 -0.75 0.00 0.00 64.21 65.67 4req n SER 569 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 4req s SER 570 N -2.52 4.55 0.24 -3.46 1.04 -1.01 -4.78 113.70 107.77 4req s SER 570 Ca 0.14 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.20 4req s SER 570 Cb -0.02 -1.20 0.26 0.00 0.10 0.00 0.00 66.02 65.16 4req s SER 570 CO 0.03 -1.84 1.80 0.00 0.98 0.00 0.00 173.24 174.21 4req h ALA 571 N -0.95 1.12 -0.07 5.32 0.00 -1.90 -1.94 119.26 120.83 4req h ALA 571 Ca -0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 4req h ALA 571 Cb 1.32 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 4req h ALA 571 CO 0.64 0.62 0.03 -0.22 0.00 0.00 0.00 179.25 180.32 4req h LYS 572 N 1.04 0.11 -0.10 0.00 3.64 -1.94 -2.80 116.57 116.52 4req h LYS 572 Ca 0.24 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 4req h LYS 572 Cb 0.23 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 4req h LYS 572 CO -0.02 0.22 -0.38 0.28 -2.27 0.00 0.00 179.45 177.29 4req h VAL 573 N -0.02 1.29 -0.34 2.00 2.07 -1.89 -2.95 116.25 116.41 4req h VAL 573 Ca 0.03 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 4req h VAL 573 Cb 0.15 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 4req h VAL 573 CO -0.00 0.42 0.17 1.88 0.02 0.00 0.00 177.57 180.05 4req h TYR 574 N 0.17 0.49 0.31 1.57 0.05 -1.20 -0.00 116.97 118.36 4req h TYR 574 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 4req h TYR 574 Cb 0.75 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 4req h TYR 574 CO 0.01 0.43 -0.25 0.00 -1.05 0.00 0.00 178.16 177.30 4req h ALA 575 N 1.02 -1.01 -0.55 3.88 0.00 -1.33 0.61 119.26 121.89 4req h ALA 575 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 4req h ALA 575 Cb 0.12 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.34 4req h ALA 575 CO -0.01 -1.01 0.00 1.04 0.00 0.00 0.00 179.25 179.27 4req n GLN 576 N -3.86 0.00 0.00 0.00 6.02 -1.12 -4.19 117.38 114.24 4req n GLN 576 Ca -0.07 0.74 0.08 0.00 -0.01 0.00 0.00 57.00 57.75 4req n GLN 576 Cb 0.24 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 4req n GLN 576 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 4req n GLN 577 N -2.34 1.55 -0.11 -1.09 6.02 -0.02 -4.79 117.38 116.60 4req n GLN 577 Ca 0.00 -0.65 -0.06 0.00 -0.01 0.00 0.00 57.00 56.28 4req n GLN 577 Cb 0.00 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 4req n GLN 577 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 4req h GLY 578 N 3.83 -1.69 0.50 1.08 0.00 -0.85 0.39 103.07 106.34 4req h GLY 578 Ca 0.00 0.88 0.03 0.00 0.00 0.00 0.00 47.33 48.23 4req h GLY 578 CO 0.00 -0.51 -0.24 -2.00 0.00 0.00 0.00 176.54 173.80 4req h LEU 579 N -0.11 -0.69 -0.06 3.11 5.85 -1.84 0.45 115.31 122.03 4req h LEU 579 Ca 0.05 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.89 4req h LEU 579 Cb 0.23 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 4req h LEU 579 CO -0.32 -0.31 -0.45 -0.08 -0.34 0.00 0.00 178.44 176.94 4req h GLU 580 N -0.39 -0.54 -0.48 1.25 4.81 -1.83 0.58 114.58 117.97 4req h GLU 580 Ca 0.05 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 4req h GLU 580 Cb 0.45 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 4req h GLU 580 CO -0.18 -0.36 0.29 0.28 -0.73 0.00 0.00 179.01 178.30 4req h VAL 581 N -0.56 1.06 -0.01 0.32 2.07 -0.65 0.31 116.25 118.77 4req h VAL 581 Ca 0.05 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.39 4req h VAL 581 Cb 0.66 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 4req h VAL 581 CO -0.37 0.11 -0.06 0.00 0.02 0.00 0.00 177.57 177.27 4req h ALA 582 N 1.21 -0.05 0.46 1.67 0.00 0.61 0.60 119.26 123.77 4req h ALA 582 Ca 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 4req h ALA 582 Cb 0.01 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 4req h ALA 582 CO -0.08 -0.55 -0.32 0.87 0.00 0.00 0.00 179.25 179.17 4req h LYS 583 N -0.10 -0.74 -0.14 0.00 1.57 0.37 0.22 116.57 117.76 4req h LYS 583 Ca 0.03 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 4req h LYS 583 Cb 0.13 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 4req h LYS 583 CO -0.07 -0.49 -0.25 0.00 -0.57 0.00 0.00 179.45 178.07 4req h ALA 584 N -0.31 -0.22 -0.23 3.86 0.00 -0.16 0.21 119.26 122.41 4req h ALA 584 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 4req h ALA 584 Cb 0.64 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 4req h ALA 584 CO 0.03 -0.70 -0.02 -0.07 0.00 0.00 0.00 179.25 178.49 4req h LEU 585 N -0.30 -0.12 -1.32 0.00 3.38 0.35 -0.75 115.31 116.55 4req h LEU 585 Ca 0.11 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.15 4req h LEU 585 Cb 0.46 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 4req h LEU 585 CO -0.32 -0.03 0.47 0.11 0.09 0.00 0.00 178.44 178.76 4req h LYS 586 N 0.05 0.90 -0.49 1.13 1.79 0.12 -2.27 116.57 117.81 4req h LYS 586 Ca 0.11 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 4req h LYS 586 Cb 0.15 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 4req h LYS 586 CO -0.20 0.60 -0.03 0.00 -1.08 0.00 0.00 179.45 178.74 4req h ALA 587 N 1.57 1.04 0.00 3.86 0.00 0.01 -3.22 119.26 122.52 4req h ALA 587 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.89 4req h ALA 587 Cb -0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.54 4req h ALA 587 CO -0.06 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.78 4req n ALA 588 N -2.48 2.31 0.00 0.00 0.00 -0.34 -4.86 120.51 115.14 4req n ALA 588 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 4req n ALA 588 Cb 0.32 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.46 4req n ALA 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 4req n GLY 589 N 0.37 0.99 3.63 0.00 0.00 -1.21 -4.96 105.19 104.01 4req n GLY 589 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 4req n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req n ALA 590 N -0.65 0.89 0.15 4.61 0.00 -1.18 -4.86 120.51 119.47 4req n ALA 590 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.63 4req n ALA 590 Cb 0.00 -2.52 0.19 0.00 0.00 0.00 0.00 19.45 17.12 4req n ALA 590 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 4req h LYS 591 N 10.22 0.00 -2.55 0.00 3.64 -0.73 -3.44 116.57 123.71 4req h LYS 591 Ca -0.43 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 4req h LYS 591 Cb 1.28 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.88 4req h LYS 591 CO 0.97 0.55 -0.12 0.00 -2.27 0.00 0.00 179.45 178.58 4req s ALA 592 N -3.43 -1.23 -0.09 5.00 0.00 -1.21 -5.02 121.76 115.78 4req s ALA 592 Ca 0.00 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.23 4req s ALA 592 Cb 0.11 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.64 4req s ALA 592 CO 0.73 -0.25 -0.18 -0.51 0.00 0.00 0.00 175.76 175.55 4req s LEU 593 N -0.13 1.86 0.14 0.00 1.43 -1.26 -1.85 118.68 118.87 4req s LEU 593 Ca -0.03 -0.45 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 4req s LEU 593 Cb -0.03 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 4req s LEU 593 CO 0.02 0.08 -0.11 -0.31 0.23 0.00 0.00 176.35 176.26 4req s TYR 594 N 0.64 2.67 -0.13 0.29 2.02 0.11 -1.36 117.35 121.59 4req s TYR 594 Ca -0.14 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.39 4req s TYR 594 Cb -0.16 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 4req s TYR 594 CO 0.04 0.45 -0.22 -1.17 -1.57 0.00 0.00 175.55 173.08 4req s LEU 595 N -2.44 2.12 -0.81 -1.29 2.96 -0.38 -0.22 118.68 118.62 4req s LEU 595 Ca 0.22 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.35 4req s LEU 595 Cb -0.10 -1.44 0.12 0.00 0.50 0.00 0.00 46.19 45.27 4req s LEU 595 CO 0.14 0.09 0.99 -0.44 -1.32 0.00 0.00 176.35 175.81 4req s SER 596 N 0.75 6.48 0.00 3.68 0.01 -0.25 -0.94 113.70 123.43 4req s SER 596 Ca -0.09 -1.82 0.00 0.00 1.31 0.00 0.00 55.95 55.35 4req s SER 596 Cb -0.16 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.71 4req s SER 596 CO -0.00 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.17 4req n GLY 597 N 5.27 0.81 3.92 3.44 0.00 -0.84 -4.55 105.19 113.24 4req n GLY 597 Ca 0.12 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 4req n GLY 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4req s ALA 598 N -1.00 3.92 0.28 4.61 0.00 -1.26 -4.61 121.76 123.71 4req s ALA 598 Ca 0.00 -1.04 0.27 0.00 0.00 0.00 0.00 51.96 51.19 4req s ALA 598 Cb 0.00 -1.73 1.24 0.00 0.00 0.00 0.00 23.12 22.63 4req s ALA 598 CO 0.00 0.56 1.97 0.74 0.00 0.00 0.00 175.76 179.03 4req h PHE 599 N 2.27 0.00 0.00 0.00 0.04 -1.98 -3.13 116.94 114.14 4req h PHE 599 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 4req h PHE 599 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 4req h PHE 599 CO 0.54 0.16 0.00 1.57 -0.60 0.00 0.00 178.31 179.98 4req h LYS 600 N 0.00 0.00 0.00 1.51 2.10 -1.93 -3.28 116.57 114.97 4req h LYS 600 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 4req h LYS 600 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 4req h LYS 600 CO 0.02 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.40 4req h GLU 601 N 0.00 0.00 0.00 0.07 5.08 -1.88 -2.65 114.58 115.20 4req h GLU 601 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 4req h GLU 601 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 4req h GLU 601 CO 0.00 0.00 -0.24 1.19 -1.00 0.00 0.00 179.01 178.96 4req n PHE 602 N -2.90 0.74 0.00 4.33 3.01 -1.24 -2.80 117.46 118.61 4req n PHE 602 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.68 4req n PHE 602 Cb 0.25 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 4req n PHE 602 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 4req n GLY 603 N 1.33 3.60 0.29 1.37 0.00 -1.00 -2.49 105.19 108.29 4req n GLY 603 Ca 0.05 0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.44 4req n GLY 603 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4req h ASP 604 N 0.00 0.00 0.22 1.61 3.32 -1.95 -2.62 116.42 117.00 4req h ASP 604 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 4req h ASP 604 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4req h ASP 604 CO 0.00 0.01 -0.04 0.47 -1.72 0.00 0.00 179.24 177.96 4req n ASP 605 N -3.92 0.36 -0.07 6.45 8.00 -1.04 -4.49 116.55 121.84 4req n ASP 605 Ca -0.03 -0.77 -0.09 0.00 0.71 0.00 0.00 54.79 54.61 4req n ASP 605 Cb 0.09 -0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 4req n ASP 605 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4req h ALA 606 N 3.82 -0.23 0.35 2.24 0.00 -1.61 0.30 119.26 124.13 4req h ALA 606 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 4req h ALA 606 Cb 0.24 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.67 4req h ALA 606 CO 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 179.25 178.34 4req h ALA 607 N 0.66 -0.47 -0.24 0.00 0.00 -1.85 -1.28 119.26 116.08 4req h ALA 607 Ca 0.14 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.99 4req h ALA 607 Cb 0.53 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 4req h ALA 607 CO -0.45 -0.74 -0.18 0.93 0.00 0.00 0.00 179.25 178.82 4req h GLU 608 N -0.53 -0.16 -0.53 0.00 5.08 -1.77 -2.78 114.58 113.88 4req h GLU 608 Ca -0.05 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 4req h GLU 608 Cb 0.40 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 4req h GLU 608 CO 0.08 -0.11 -0.10 0.00 -1.00 0.00 0.00 179.01 177.88 4req h ALA 609 N 0.97 0.39 -0.92 3.43 0.00 -0.21 -2.71 119.26 120.20 4req h ALA 609 Ca 0.14 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.35 4req h ALA 609 Cb 0.37 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 4req h ALA 609 CO -0.34 -0.43 0.59 1.49 0.00 0.00 0.00 179.25 180.56 4req h GLU 610 N 0.02 0.87 -0.72 0.00 4.22 -0.94 -2.46 114.58 115.57 4req h GLU 610 Ca 0.26 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.65 4req h GLU 610 Cb 0.40 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 4req h GLU 610 CO -0.53 0.57 0.47 0.87 -2.18 0.00 0.00 179.01 178.21 4req h LYS 611 N 0.89 0.96 0.00 1.92 1.57 -1.49 -2.97 116.57 117.45 4req h LYS 611 Ca 0.43 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.98 4req h LYS 611 Cb 0.45 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 4req h LYS 611 CO -0.20 0.64 -0.94 -0.07 -0.57 0.00 0.00 179.45 178.32 4req h LEU 612 N 0.98 0.00 -9.29 2.94 3.38 -1.54 -3.46 115.31 108.32 4req h LEU 612 Ca 0.26 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.65 4req h LEU 612 Cb -0.09 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 4req h LEU 612 CO -0.05 0.72 -0.16 -0.63 0.09 0.00 0.00 178.44 178.40 4req s ILE 613 N -2.84 5.20 -2.01 1.22 1.01 -1.03 -4.39 121.20 118.37 4req s ILE 613 Ca 0.01 0.88 0.26 0.00 0.00 0.00 0.00 60.65 61.80 4req s ILE 613 Cb 0.09 -3.79 0.30 0.00 0.01 0.00 0.00 42.46 39.07 4req s ILE 613 CO 0.79 0.32 1.55 0.47 0.00 0.00 0.00 174.94 178.06 4req n ASP 614 N 3.81 1.32 0.00 3.58 9.92 -0.46 -4.92 116.55 129.80 4req n ASP 614 Ca -0.08 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.04 4req n ASP 614 Cb 0.51 0.13 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 4req n ASP 614 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4req n GLY 615 N 1.31 2.32 3.45 0.44 0.00 -1.23 -5.01 105.19 106.47 4req n GLY 615 Ca 0.14 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 4req n GLY 615 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4req s ARG 616 N -2.00 1.62 -0.20 1.61 0.52 -1.26 -1.25 118.95 118.00 4req s ARG 616 Ca 0.00 -1.54 -0.01 0.00 -0.52 0.00 0.00 55.73 53.66 4req s ARG 616 Cb 0.00 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 33.60 4req s ARG 616 CO 0.00 0.39 -0.13 -0.51 0.02 0.00 0.00 175.30 175.07 4req s LEU 617 N -2.85 2.48 0.13 2.53 1.43 -0.12 -4.91 118.68 117.37 4req s LEU 617 Ca 0.23 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 4req s LEU 617 Cb -0.07 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.58 4req s LEU 617 CO 0.11 -0.01 0.39 0.72 0.23 0.00 0.00 176.35 177.79 4req s PHE 618 N 1.36 -0.15 0.05 0.29 -0.71 -1.26 -1.98 117.98 115.58 4req s PHE 618 Ca 0.05 -0.18 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 4req s PHE 618 Cb -0.14 0.23 -0.08 0.00 -1.21 0.00 0.00 43.02 41.82 4req s PHE 618 CO -0.08 -0.70 1.75 1.41 -1.34 0.00 0.00 175.22 176.25 4req s MET 619 N -3.82 4.17 0.00 1.99 -2.45 -1.26 -1.91 119.30 116.03 4req s MET 619 Ca 0.04 2.41 0.00 0.00 -1.25 0.00 0.00 55.69 56.89 4req s MET 619 Cb 0.02 -3.80 0.00 0.00 1.25 0.00 0.00 34.83 32.30 4req s MET 619 CO -0.11 -0.82 0.00 0.41 1.05 0.00 0.00 175.02 175.55 4req n GLY 620 N 4.18 0.58 3.74 2.11 0.00 -1.26 -5.08 105.19 109.46 4req n GLY 620 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 4req n GLY 620 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 4req s MET 621 N -0.95 1.79 -0.53 1.61 0.00 -0.80 -4.85 119.30 115.58 4req s MET 621 Ca 0.00 1.20 -0.22 0.00 0.00 0.00 0.00 55.69 56.67 4req s MET 621 Cb 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 34.83 33.04 4req s MET 621 CO 0.00 -1.98 0.80 0.34 0.00 0.00 0.00 175.02 174.18 4req s ASP 622 N -3.22 6.29 0.20 -1.18 -1.08 -1.26 -4.15 116.67 112.27 4req s ASP 622 Ca 0.63 -0.59 0.07 0.00 -0.52 0.00 0.00 52.55 52.14 4req s ASP 622 Cb -0.19 -2.37 0.11 0.00 -1.46 0.00 0.00 42.92 39.01 4req s ASP 622 CO 0.57 -1.07 1.46 -0.37 0.52 0.00 0.00 175.17 176.28 4req h VAL 623 N 5.95 1.52 0.77 1.11 -1.51 -1.18 -2.93 116.25 119.98 4req h VAL 623 Ca -0.27 -2.56 -0.04 0.00 -1.23 0.00 0.00 66.70 62.60 4req h VAL 623 Cb 1.08 2.39 0.00 0.00 -2.13 0.00 0.00 31.29 32.64 4req h VAL 623 CO 1.03 0.74 -0.43 0.58 -1.23 0.00 0.00 177.57 178.26 4req h VAL 624 N 0.04 0.00 -0.07 7.19 2.07 -1.91 0.29 116.25 123.85 4req h VAL 624 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.51 4req h VAL 624 Cb 1.37 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 4req h VAL 624 CO 0.11 0.00 -0.20 -0.78 0.02 0.00 0.00 177.57 176.72 4req h ASP 625 N -1.11 -0.64 -0.49 0.57 3.58 -1.91 -0.24 116.42 116.17 4req h ASP 625 Ca -0.11 0.08 0.10 0.00 0.42 0.00 0.00 57.03 57.52 4req h ASP 625 Cb 0.88 0.25 -0.10 0.00 1.72 0.00 0.00 39.33 42.08 4req h ASP 625 CO 0.14 -0.17 -0.19 0.74 -2.88 0.00 0.00 179.24 176.88 4req h THR 626 N -0.20 0.39 -0.71 2.25 2.02 -1.54 -2.00 112.91 113.14 4req h THR 626 Ca 0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 4req h THR 626 Cb 0.24 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 4req h THR 626 CO -0.17 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.02 4req h LEU 627 N -0.08 0.90 -0.67 2.58 3.38 -0.51 -1.77 115.31 119.14 4req h LEU 627 Ca 0.23 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 4req h LEU 627 Cb 0.44 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 4req h LEU 627 CO -0.55 0.75 0.24 0.77 0.09 0.00 0.00 178.44 179.74 4req h SER 628 N 0.98 0.94 -0.25 -0.43 4.64 -0.55 -1.51 113.55 117.38 4req h SER 628 Ca 0.25 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 4req h SER 628 Cb 0.06 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 4req h SER 628 CO -0.04 0.88 0.15 -1.28 -0.87 0.00 0.00 176.83 175.67 4req h SER 629 N 0.95 0.29 -0.66 4.97 0.87 -1.29 -1.17 113.55 117.51 4req h SER 629 Ca 0.22 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 4req h SER 629 Cb 0.25 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 4req h SER 629 CO -0.01 0.25 0.35 0.74 -0.53 0.00 0.00 176.83 177.63 4req h THR 630 N 0.31 1.21 -0.16 2.23 2.02 -1.04 0.37 112.91 117.85 4req h THR 630 Ca 0.09 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 4req h THR 630 Cb 0.01 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 4req h THR 630 CO -0.02 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 176.09 4req h LEU 631 N 0.91 0.23 0.07 2.58 3.38 -1.03 -1.25 115.31 120.21 4req h LEU 631 Ca 0.23 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.00 4req h LEU 631 Cb 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 4req h LEU 631 CO -0.03 0.38 -0.41 0.44 0.09 0.00 0.00 178.44 178.91 4req h ASP 632 N 0.07 -1.24 -0.89 -0.43 3.32 -0.76 -1.89 116.42 114.61 4req h ASP 632 Ca 0.05 0.13 0.22 0.00 0.02 0.00 0.00 57.03 57.46 4req h ASP 632 Cb 0.23 0.46 -0.13 0.00 0.22 0.00 0.00 39.33 40.12 4req h ASP 632 CO -0.00 -0.42 0.36 0.40 -1.72 0.00 0.00 179.24 177.85 4req h ILE 633 N -0.57 0.44 0.00 0.35 2.04 -0.81 -0.77 117.51 118.20 4req h ILE 633 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 4req h ILE 633 Cb 0.58 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 4req h ILE 633 CO -0.24 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.16 4req n LEU 634 N -5.08 0.00 0.00 1.44 4.77 -0.48 -4.91 117.00 112.73 4req n LEU 634 Ca 0.22 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 4req n LEU 634 Cb 0.66 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 4req n LEU 634 CO 0.12 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 4req n GLY 635 N 0.44 0.55 3.77 -0.72 0.00 -0.29 -5.04 105.19 103.89 4req n GLY 635 Ca 0.12 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 4req n GLY 635 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4req s VAL 636 N -2.00 2.71 1.08 1.61 1.01 -0.75 -4.98 120.40 119.08 4req s VAL 636 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 4req s VAL 636 Cb 0.00 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.10 4req s VAL 636 CO 0.00 0.12 0.28 0.00 0.00 0.00 0.00 175.10 175.50 4req n ALA 637 N 0.35 -3.48 -0.90 5.51 0.00 -1.26 -4.43 120.51 116.30 4req n ALA 637 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.38 4req n ALA 637 Cb 0.43 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.20 4req n ALA 637 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67