#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggj s SER 28 N 0.00 -0.23 0.05 -2.24 0.15 -1.26 -5.04 113.70 105.13 1ggj s SER 28 Ca 0.00 -0.21 0.16 0.00 0.70 0.00 0.00 55.95 56.60 1ggj s SER 28 Cb 0.00 0.30 -0.15 0.00 -1.71 0.00 0.00 66.02 64.46 1ggj s SER 28 CO 0.00 -0.02 0.82 -0.07 1.20 0.00 0.00 173.24 175.17 1ggj h LEU 29 N 4.66 0.00-10.12 3.45 3.38 -2.10 -3.47 115.31 111.11 1ggj h LEU 29 Ca -0.02 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.40 1ggj h LEU 29 Cb 1.20 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.09 1ggj h LEU 29 CO -0.10 0.65 0.47 0.00 0.09 0.00 0.00 178.44 179.55 1ggj s ALA 30 N -2.87 2.37 0.39 1.53 0.00 -1.26 -4.93 121.76 117.00 1ggj s ALA 30 Ca -0.03 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.73 1ggj s ALA 30 Cb 0.09 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 1ggj s ALA 30 CO 0.81 -1.52 1.41 -1.25 0.00 0.00 0.00 175.76 175.20 1ggj s PRO 31 N -3.49 4.04 0.44 0.00 0.04 -1.26 -4.91 135.00 129.86 1ggj s PRO 31 Ca 0.79 2.40 0.15 0.00 0.04 0.00 0.00 61.00 64.38 1ggj s PRO 31 Cb -0.33 -2.88 0.97 0.00 0.04 0.00 0.00 34.50 32.30 1ggj s PRO 31 CO 0.39 -0.52 1.96 1.49 0.04 0.00 0.00 177.00 180.36 1ggj h GLU 32 N 2.87 0.00 0.00 4.56 4.57 -1.96 -2.13 114.58 122.49 1ggj h GLU 32 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1ggj h GLU 32 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1ggj h GLU 32 CO 0.63 0.22 0.00 -0.40 -1.18 0.00 0.00 179.01 178.29 1ggj n ASP 33 N -4.21 0.59 0.00 1.04 5.75 -1.26 -4.86 116.55 113.59 1ggj n ASP 33 Ca -0.02 0.68 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1ggj n ASP 33 Cb 0.28 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 1ggj n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggj n GLY 34 N -0.42 0.66 0.44 6.12 0.00 -0.80 -4.94 105.19 106.24 1ggj n GLY 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ggj n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 35 N 0.00 0.70 0.02 1.61 3.41 -1.26 -2.86 113.62 115.24 1ggj n SER 35 Ca 0.00 -1.59 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 1ggj n SER 35 Cb 0.00 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1ggj n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggj n HIS 36 N 0.03 0.23 -3.84 7.33 1.44 -1.26 -4.88 115.22 114.26 1ggj n HIS 36 Ca 0.00 0.07 -0.36 0.00 -2.01 0.00 0.00 57.72 55.42 1ggj n HIS 36 Cb 0.17 -0.52 -0.12 0.00 0.12 0.00 0.00 29.99 29.65 1ggj n HIS 36 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1ggj s ARG 37 N -3.37 3.78 0.45 -1.40 6.06 -1.13 -5.01 118.95 118.33 1ggj s ARG 37 Ca -0.03 -0.42 -0.24 0.00 -2.50 0.00 0.00 55.73 52.54 1ggj s ARG 37 Cb 0.13 -3.31 -0.07 0.00 0.06 0.00 0.00 34.95 31.76 1ggj s ARG 37 CO 0.86 -0.03 1.22 -2.14 -2.50 0.00 0.00 175.30 172.71 1ggj s PRO 38 N 1.22 3.75 0.27 5.12 0.02 -1.26 -4.98 135.00 139.13 1ggj s PRO 38 Ca 0.05 1.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.69 1ggj s PRO 38 Cb -0.14 -2.49 -0.10 0.00 0.02 0.00 0.00 34.50 31.79 1ggj s PRO 38 CO 0.04 -0.60 1.40 0.00 -0.33 0.00 0.00 177.00 177.51 1ggj s ALA 39 N -1.44 3.59 -0.93 -1.55 0.00 -1.26 -4.90 121.76 115.27 1ggj s ALA 39 Ca 0.63 1.31 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 1ggj s ALA 39 Cb -0.32 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 1ggj s ALA 39 CO 0.40 -0.72 2.91 0.00 0.00 0.00 0.00 175.76 178.35 1ggj n ALA 40 N 1.93 6.86 -3.15 0.00 0.00 -1.26 -4.77 120.51 120.12 1ggj n ALA 40 Ca 0.05 -3.20 -0.12 0.00 0.00 0.00 0.00 53.44 50.17 1ggj n ALA 40 Cb 0.41 -2.71 -0.09 0.00 0.00 0.00 0.00 19.45 17.06 1ggj n ALA 40 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ggj s GLU 41 N 0.14 0.58 0.13 0.00 -1.05 -1.25 -4.82 118.70 112.43 1ggj s GLU 41 Ca 0.62 -0.32 -0.31 0.00 -0.15 0.00 0.00 54.97 54.81 1ggj s GLU 41 Cb 0.26 0.25 -0.11 0.00 -0.44 0.00 0.00 34.13 34.09 1ggj s GLU 41 CO -0.09 -0.15 1.83 -0.35 0.95 0.00 0.00 175.26 177.45 1ggj n PRO 42 N 1.31 2.81 -4.09 -4.83 -0.04 -1.26 -4.99 135.00 123.91 1ggj n PRO 42 Ca -0.22 1.02 -0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1ggj n PRO 42 Cb 0.56 -2.91 -0.12 0.00 -0.04 0.00 0.00 33.50 30.99 1ggj n PRO 42 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ggj s THR 43 N 2.63 0.58 0.80 0.52 -4.23 -0.82 -4.94 115.64 110.18 1ggj s THR 43 Ca 0.81 -1.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 1ggj s THR 43 Cb -0.48 -0.63 0.08 0.00 1.34 0.00 0.00 72.50 72.81 1ggj s THR 43 CO 0.37 -0.31 1.12 -2.16 -0.54 0.00 0.00 174.62 173.09 1ggj s PRO 44 N -1.43 1.94 -0.05 3.99 0.04 -1.26 -3.00 135.00 135.23 1ggj s PRO 44 Ca -0.08 1.34 -0.36 0.00 0.04 0.00 0.00 61.00 61.93 1ggj s PRO 44 Cb -0.09 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 1ggj s PRO 44 CO 0.00 -1.91 1.65 -2.30 0.04 0.00 0.00 177.00 174.49 1ggj n PRO 45 N -3.58 1.63 -0.46 0.56 -0.02 -1.26 -1.98 135.00 129.90 1ggj n PRO 45 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1ggj n PRO 45 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1ggj n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggj n GLY 46 N 3.70 1.75 0.14 -1.23 0.00 -1.26 -4.90 105.19 103.38 1ggj n GLY 46 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ggj n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggj h ALA 47 N 0.00 0.76 -2.31 4.61 0.00 -1.75 -3.46 119.26 117.11 1ggj h ALA 47 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.09 1ggj h ALA 47 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 1ggj h ALA 47 CO 0.00 0.82 -0.67 -0.65 0.00 0.00 0.00 179.25 178.75 1ggj s GLN 48 N -3.51 0.89 0.24 0.00 -1.52 -1.26 -5.07 119.66 109.43 1ggj s GLN 48 Ca -0.03 -1.40 -0.30 0.00 -1.95 0.00 0.00 55.36 51.69 1ggj s GLN 48 Cb 0.11 0.02 -0.09 0.00 -0.22 0.00 0.00 33.01 32.83 1ggj s GLN 48 CO 0.80 -0.15 1.33 -1.25 -0.25 0.00 0.00 175.29 175.77 1ggj s PRO 49 N -3.95 4.37 0.73 2.91 0.05 -1.26 -5.00 135.00 132.85 1ggj s PRO 49 Ca 0.18 2.13 -0.12 0.00 0.05 0.00 0.00 61.00 63.24 1ggj s PRO 49 Cb 0.07 -3.15 0.04 0.00 0.05 0.00 0.00 34.50 31.51 1ggj s PRO 49 CO -0.01 -0.26 1.10 0.95 0.05 0.00 0.00 177.00 178.83 1ggj s THR 50 N -0.23 3.28 0.18 1.26 -4.23 -1.26 -4.63 115.64 110.00 1ggj s THR 50 Ca 0.55 0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.42 1ggj s THR 50 Cb -0.38 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1ggj s THR 50 CO 0.43 -0.48 0.37 0.00 -0.54 0.00 0.00 174.62 174.40 1ggj s ALA 51 N -2.69 -0.29 0.24 3.99 0.00 -1.26 -4.99 121.76 116.75 1ggj s ALA 51 Ca 0.63 -0.70 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 1ggj s ALA 51 Cb -0.18 0.88 -0.14 0.00 0.00 0.00 0.00 23.12 23.68 1ggj s ALA 51 CO 0.51 -0.71 1.26 -2.30 0.00 0.00 0.00 175.76 174.51 1ggj n PRO 52 N -0.27 1.66 -0.26 0.00 -0.02 -1.26 -4.69 135.00 130.16 1ggj n PRO 52 Ca -0.07 0.59 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1ggj n PRO 52 Cb 0.63 -2.14 0.19 0.00 -0.02 0.00 0.00 33.50 32.15 1ggj n PRO 52 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ggj h GLY 53 N 3.44 1.00 2.00 -1.23 0.00 -1.28 -0.64 103.07 106.35 1ggj h GLY 53 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1ggj h GLY 53 CO 0.70 -0.27 0.00 1.48 0.00 0.00 0.00 176.54 178.45 1ggj h SER 54 N 0.18 0.00 0.46 0.19 4.64 -1.83 -0.38 113.55 116.82 1ggj h SER 54 Ca 0.44 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.46 1ggj h SER 54 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.84 1ggj h SER 54 CO -0.60 0.00 -1.67 -0.07 -0.87 0.00 0.00 176.83 173.62 1ggj h LEU 55 N 0.00 0.15 0.07 5.97 3.38 -1.52 -3.02 115.31 120.34 1ggj h LEU 55 Ca 0.00 -0.28 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 1ggj h LEU 55 Cb 0.55 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.27 1ggj h LEU 55 CO 0.00 1.25 -0.88 0.50 0.09 0.00 0.00 178.44 179.40 1ggj h LYS 56 N 0.03 0.48 -2.19 1.13 1.63 -0.98 -3.40 116.57 113.27 1ggj h LYS 56 Ca -0.28 -0.61 -0.58 0.00 -0.85 0.00 0.00 60.65 58.34 1ggj h LYS 56 Cb 2.00 0.19 -0.39 0.00 -0.60 0.00 0.00 32.23 33.43 1ggj h LYS 56 CO 0.10 1.24 -1.00 0.00 -3.45 0.00 0.00 179.45 176.34 1ggj n ALA 57 N -2.64 2.76 0.30 5.00 0.00 -0.17 -3.77 120.51 121.99 1ggj n ALA 57 Ca -0.12 -3.48 0.19 0.00 0.00 0.00 0.00 53.44 50.03 1ggj n ALA 57 Cb 0.82 -0.81 0.88 0.00 0.00 0.00 0.00 19.45 20.34 1ggj n ALA 57 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ggj h PRO 58 N 4.61 0.00 -0.39 0.00 0.13 -1.70 -2.56 132.00 132.09 1ggj h PRO 58 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ggj h PRO 58 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1ggj h PRO 58 CO 0.48 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.00 1ggj n ASP 59 N -3.07 3.42 -4.57 1.44 10.43 -1.26 -4.79 116.55 118.15 1ggj n ASP 59 Ca -0.01 -1.99 -0.42 0.00 2.57 0.00 0.00 54.79 54.94 1ggj n ASP 59 Cb 0.22 -0.25 -0.05 0.00 1.84 0.00 0.00 41.12 42.88 1ggj n ASP 59 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1ggj s THR 60 N -1.50 4.72 0.12 -3.53 2.01 -0.96 -5.02 115.64 111.47 1ggj s THR 60 Ca 0.39 0.74 0.06 0.00 0.31 0.00 0.00 61.69 63.18 1ggj s THR 60 Cb 0.23 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1ggj s THR 60 CO 0.32 -0.51 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.47 1ggj s ARG 61 N 3.13 0.99 0.17 4.92 0.52 -1.26 -5.02 118.95 122.41 1ggj s ARG 61 Ca 0.31 -1.22 -0.19 0.00 -0.52 0.00 0.00 55.73 54.11 1ggj s ARG 61 Cb -0.13 -0.86 0.04 0.00 0.52 0.00 0.00 34.95 34.52 1ggj s ARG 61 CO 0.18 0.16 0.52 0.54 0.02 0.00 0.00 175.30 176.73 1ggj s ASN 62 N -2.41 -0.33 0.23 0.23 2.20 -1.26 -5.03 114.94 108.56 1ggj s ASN 62 Ca 0.08 -0.33 -0.07 0.00 -0.94 0.00 0.00 52.86 51.61 1ggj s ASN 62 Cb -0.05 0.56 0.36 0.00 -2.00 0.00 0.00 41.25 40.12 1ggj s ASN 62 CO 0.03 -0.99 1.75 -0.08 -2.94 0.00 0.00 177.10 174.86 1ggj h GLU 63 N 2.19 0.45 0.04 3.55 4.81 -1.97 -0.72 114.58 122.93 1ggj h GLU 63 Ca -0.31 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ggj h GLU 63 Cb 1.27 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ggj h GLU 63 CO 0.39 0.30 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.73 1ggj h LYS 64 N 0.46 -0.06 -0.80 1.92 1.63 -1.96 -1.03 116.57 116.75 1ggj h LYS 64 Ca 0.36 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.20 1ggj h LYS 64 Cb 0.47 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.07 1ggj h LYS 64 CO -0.34 0.13 0.50 -0.07 -3.45 0.00 0.00 179.45 176.22 1ggj h LEU 65 N -0.23 0.81 -0.80 5.20 3.38 -1.87 -1.20 115.31 120.59 1ggj h LEU 65 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1ggj h LEU 65 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ggj h LEU 65 CO 0.01 0.55 -0.17 0.78 0.09 0.00 0.00 178.44 179.70 1ggj h ASN 66 N 0.95 0.72 0.85 -0.43 2.35 -1.13 -2.80 115.58 116.08 1ggj h ASN 66 Ca 0.33 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1ggj h ASN 66 Cb 0.06 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1ggj h ASN 66 CO -0.13 0.89 -0.02 0.77 -1.65 0.00 0.00 177.43 177.29 1ggj h SER 67 N 0.64 0.00 0.63 5.81 4.64 -0.04 -1.84 113.55 123.38 1ggj h SER 67 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ggj h SER 67 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1ggj h SER 67 CO 0.05 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 1ggj n LEU 68 N -3.12 0.00 0.15 5.97 4.77 -0.66 -4.01 117.00 120.09 1ggj n LEU 68 Ca -0.00 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1ggj n LEU 68 Cb 0.28 -0.33 0.63 0.00 -2.33 0.00 0.00 43.42 41.66 1ggj n LEU 68 CO 0.27 -0.02 1.12 -0.08 -1.33 0.00 0.00 177.39 177.34 1ggj h GLU 69 N 0.00 0.06 0.00 3.23 4.57 -1.40 -2.13 114.58 118.91 1ggj h GLU 69 Ca 0.00 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1ggj h GLU 69 Cb 0.31 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1ggj h GLU 69 CO 0.00 0.04 -0.11 0.38 -1.18 0.00 0.00 179.01 178.13 1ggj h ASP 70 N 0.06 0.00 -0.01 1.04 -0.00 -1.81 -2.65 116.42 113.05 1ggj h ASP 70 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.13 1ggj h ASP 70 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 1ggj h ASP 70 CO -0.01 0.11 -0.43 1.33 -0.00 0.00 0.00 179.24 180.25 1ggj n VAL 71 N -4.07 0.00 -2.25 4.15 0.24 -0.83 -4.98 118.33 110.59 1ggj n VAL 71 Ca -0.02 -0.28 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 1ggj n VAL 71 Cb 0.20 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 1ggj n VAL 71 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ggj s ARG 72 N -2.14 4.45 -0.08 7.34 0.52 -1.00 -5.02 118.95 123.02 1ggj s ARG 72 Ca 0.14 2.06 0.03 0.00 -0.52 0.00 0.00 55.73 57.44 1ggj s ARG 72 Cb 0.14 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.49 1ggj s ARG 72 CO 0.49 -0.06 -0.20 0.21 0.02 0.00 0.00 175.30 175.76 1ggj s LYS 73 N -1.45 2.52 0.00 3.54 2.20 -1.26 -5.02 119.74 120.27 1ggj s LYS 73 Ca 0.48 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1ggj s LYS 73 Cb -0.37 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1ggj s LYS 73 CO 0.47 0.14 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1ggj n GLY 74 N 3.59 0.35 0.67 5.54 0.00 -1.26 -5.06 105.19 109.02 1ggj n GLY 74 Ca -0.20 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1ggj n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 75 N 0.00 0.00 -4.67 1.61 3.41 -1.26 -5.08 113.62 107.63 1ggj n SER 75 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1ggj n SER 75 Cb 0.00 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1ggj n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ggj n GLU 76 N -1.76 2.05 -1.05 4.33 1.02 -1.26 -1.67 120.64 122.29 1ggj n GLU 76 Ca 0.00 0.73 -0.02 0.00 -0.02 0.00 0.00 57.16 57.85 1ggj n GLU 76 Cb 0.00 -2.42 -0.01 0.00 -0.02 0.00 0.00 31.44 28.99 1ggj n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ggj n ASN 77 N 2.49 -4.12 -4.83 1.62 3.02 -1.26 -5.02 115.26 107.16 1ggj n ASN 77 Ca 0.13 0.04 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 1ggj n ASN 77 Cb 0.31 -1.78 -0.05 0.00 -0.61 0.00 0.00 39.78 37.65 1ggj n ASN 77 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ggj s TYR 78 N -1.77 3.21 0.31 3.10 2.02 -0.67 -5.10 117.35 118.46 1ggj s TYR 78 Ca 0.00 -0.00 -0.27 0.00 -0.37 0.00 0.00 57.07 56.43 1ggj s TYR 78 Cb 0.00 -1.53 -0.10 0.00 -0.40 0.00 0.00 41.96 39.94 1ggj s TYR 78 CO 0.00 0.52 0.97 0.00 -1.57 0.00 0.00 175.55 175.46 1ggj s ALA 79 N -1.79 3.23 0.04 3.71 0.00 -1.26 -5.01 121.76 120.67 1ggj s ALA 79 Ca 0.32 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1ggj s ALA 79 Cb -0.10 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1ggj s ALA 79 CO 0.25 0.11 1.28 -1.17 0.00 0.00 0.00 175.76 176.23 1ggj s LEU 80 N -1.92 4.34 0.14 0.00 2.96 -1.26 -4.99 118.68 117.95 1ggj s LEU 80 Ca 0.49 2.06 0.02 0.00 -0.22 0.00 0.00 54.13 56.48 1ggj s LEU 80 Cb -0.21 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 1ggj s LEU 80 CO 0.27 -0.58 -0.03 0.42 -1.32 0.00 0.00 176.35 175.10 1ggj s THR 81 N 1.59 0.75 1.23 3.68 -4.23 -1.26 -1.30 115.64 116.10 1ggj s THR 81 Ca 0.60 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1ggj s THR 81 Cb -0.30 -1.93 0.30 0.00 1.34 0.00 0.00 72.50 71.90 1ggj s THR 81 CO 0.27 -0.65 1.02 0.42 -0.54 0.00 0.00 174.62 175.15 1ggj s THR 82 N -3.60 1.69 -0.32 3.99 -4.23 0.11 -4.88 115.64 108.41 1ggj s THR 82 Ca 0.19 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.97 1ggj s THR 82 Cb 0.05 -2.21 0.32 0.00 1.34 0.00 0.00 72.50 72.00 1ggj s THR 82 CO 0.00 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.67 1ggj h ASN 83 N -2.76 0.00 -0.14 3.99 2.35 -1.98 -1.80 115.58 115.24 1ggj h ASN 83 Ca -0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1ggj h ASN 83 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 1ggj h ASN 83 CO 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.21 1ggj n GLN 84 N -2.69 1.55 -0.66 0.81 1.13 -1.26 -4.92 117.38 111.34 1ggj n GLN 84 Ca 0.03 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.25 1ggj n GLN 84 Cb 0.34 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.34 1ggj n GLN 84 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ggj n GLY 85 N 1.03 0.66 3.67 1.08 0.00 -0.68 -5.04 105.19 105.92 1ggj n GLY 85 Ca 0.15 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1ggj n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggj s VAL 86 N -2.00 5.05 0.25 1.61 1.01 -1.26 -4.80 120.40 120.27 1ggj s VAL 86 Ca 0.00 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.83 1ggj s VAL 86 Cb 0.00 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1ggj s VAL 86 CO 0.00 0.15 1.47 -0.13 0.00 0.00 0.00 175.10 176.60 1ggj s ARG 87 N 1.65 4.24 -0.18 2.72 0.52 -1.26 0.06 118.95 126.70 1ggj s ARG 87 Ca 0.28 2.34 -0.14 0.00 -0.52 0.00 0.00 55.73 57.70 1ggj s ARG 87 Cb -0.16 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1ggj s ARG 87 CO 0.11 -0.47 0.31 0.42 0.02 0.00 0.00 175.30 175.69 1ggj s ILE 88 N 0.12 5.28 -0.08 1.52 1.01 -0.42 -4.88 121.20 123.76 1ggj s ILE 88 Ca 0.61 0.55 -0.16 0.00 0.00 0.00 0.00 60.65 61.65 1ggj s ILE 88 Cb -0.43 -3.64 -0.29 0.00 0.01 0.00 0.00 42.46 38.11 1ggj s ILE 88 CO 0.43 0.35 0.65 0.00 0.00 0.00 0.00 174.94 176.37 1ggj h ALA 89 N 6.94 0.11 -3.37 9.38 0.00 -1.94 -3.45 119.26 126.93 1ggj h ALA 89 Ca -0.40 -1.02 -0.58 0.00 0.00 0.00 0.00 54.91 52.91 1ggj h ALA 89 Cb 1.16 0.40 -0.39 0.00 0.00 0.00 0.00 17.79 18.96 1ggj h ALA 89 CO 0.74 0.78 -0.76 0.34 0.00 0.00 0.00 179.25 180.35 1ggj s ASP 90 N -7.10 3.72 -0.35 0.00 3.68 -1.26 -4.98 116.67 110.38 1ggj s ASP 90 Ca -0.18 -1.31 0.09 0.00 2.13 0.00 0.00 52.55 53.28 1ggj s ASP 90 Cb 0.04 -0.94 0.74 0.00 -1.45 0.00 0.00 42.92 41.31 1ggj s ASP 90 CO 0.80 -0.33 1.84 -0.67 0.13 0.00 0.00 175.17 176.95 1ggj n ASP 91 N 4.81 4.68 -0.00 -0.34 4.64 -1.26 -4.13 116.55 124.95 1ggj n ASP 91 Ca -0.06 -3.30 0.03 0.00 -1.38 0.00 0.00 54.79 50.08 1ggj n ASP 91 Cb 0.44 -0.77 -0.05 0.00 -1.04 0.00 0.00 41.12 39.70 1ggj n ASP 91 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ggj n GLN 92 N -0.33 1.21 -4.05 -0.67 1.13 -1.26 -5.07 117.38 108.35 1ggj n GLN 92 Ca 0.45 -0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 55.34 1ggj n GLN 92 Cb 1.46 -1.08 -0.11 0.00 0.11 0.00 0.00 30.24 30.62 1ggj n GLN 92 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ggj s ASN 93 N -2.51 0.74 0.55 1.08 0.01 -1.26 -5.15 114.94 108.39 1ggj s ASN 93 Ca -0.01 -0.53 -0.08 0.00 -0.71 0.00 0.00 52.86 51.52 1ggj s ASN 93 Cb 0.04 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 1ggj s ASN 93 CO 0.27 -0.22 0.90 -0.44 -1.51 0.00 0.00 177.10 176.10 1ggj s SER 94 N -1.53 6.23 -0.12 -1.22 0.01 -1.26 -4.99 113.70 110.81 1ggj s SER 94 Ca -0.11 1.14 -0.29 0.00 1.31 0.00 0.00 55.95 58.01 1ggj s SER 94 Cb -0.10 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1ggj s SER 94 CO 0.00 -0.72 0.99 -0.22 0.41 0.00 0.00 173.24 173.70 1ggj s LEU 95 N -4.94 4.23 0.03 2.44 2.96 -1.26 -5.00 118.68 117.13 1ggj s LEU 95 Ca 0.51 1.47 -0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1ggj s LEU 95 Cb -0.11 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1ggj s LEU 95 CO 0.49 -0.46 -0.03 0.00 -1.32 0.00 0.00 176.35 175.03 1ggj s ARG 96 N 2.12 0.41 -0.90 1.98 1.70 -1.26 -0.69 118.95 122.31 1ggj s ARG 96 Ca 0.47 -0.80 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 1ggj s ARG 96 Cb -0.18 0.13 0.02 0.00 -0.57 0.00 0.00 34.95 34.35 1ggj s ARG 96 CO 0.16 -0.07 1.57 0.00 -1.08 0.00 0.00 175.30 175.89 1ggj s ALA 97 N -2.22 2.42 0.00 7.88 0.00 -0.86 -4.64 121.76 124.35 1ggj s ALA 97 Ca -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1ggj s ALA 97 Cb -0.04 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.62 1ggj s ALA 97 CO -0.04 -3.86 0.00 0.41 0.00 0.00 0.00 175.76 172.27 1ggj n GLY 98 N 6.46 -0.31 0.00 0.00 0.00 -1.26 -3.52 105.19 106.56 1ggj n GLY 98 Ca 0.27 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.80 1ggj n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 99 N -0.89 0.00 -0.39 1.61 3.41 -1.26 -1.79 113.62 114.31 1ggj n SER 99 Ca 0.00 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1ggj n SER 99 Cb 0.00 -0.41 0.13 0.00 -0.26 0.00 0.00 64.21 63.67 1ggj n SER 99 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ggj n ARG 100 N -1.41 1.08 -2.00 4.33 1.74 -1.26 -5.08 116.66 114.07 1ggj n ARG 100 Ca 0.06 -2.51 -0.12 0.00 -0.77 0.00 0.00 57.85 54.51 1ggj n ARG 100 Cb 0.18 -1.27 0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1ggj n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ggj n GLY 101 N -0.99 1.45 3.77 -0.13 0.00 -0.74 -5.06 105.19 103.48 1ggj n GLY 101 Ca 0.14 -2.11 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1ggj n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ggj s PRO 102 N -3.72 3.93 0.49 1.61 0.04 -1.26 -4.65 135.00 131.43 1ggj s PRO 102 Ca 0.37 1.82 -0.22 0.00 0.04 0.00 0.00 61.00 63.02 1ggj s PRO 102 Cb -0.03 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1ggj s PRO 102 CO 0.24 -0.42 1.14 0.99 0.04 0.00 0.00 177.00 178.99 1ggj s THR 103 N -1.46 3.19 -0.03 1.26 2.01 -1.26 -2.02 115.64 117.32 1ggj s THR 103 Ca 0.60 0.83 -0.03 0.00 0.31 0.00 0.00 61.69 63.40 1ggj s THR 103 Cb -0.30 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1ggj s THR 103 CO 0.37 -0.07 0.14 -0.76 -0.69 0.00 0.00 174.62 173.61 1ggj s LEU 104 N -3.31 4.21 0.59 4.42 1.43 0.14 -4.94 118.68 121.22 1ggj s LEU 104 Ca 0.67 0.31 0.36 0.00 -1.03 0.00 0.00 54.13 54.44 1ggj s LEU 104 Cb -0.26 -2.37 1.80 0.00 0.03 0.00 0.00 46.19 45.39 1ggj s LEU 104 CO 0.31 0.30 2.16 0.25 0.23 0.00 0.00 176.35 179.60 1ggj h LEU 105 N 4.20 0.00 0.00 1.79 5.85 -1.95 -2.35 115.31 122.84 1ggj h LEU 105 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ggj h LEU 105 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ggj h LEU 105 CO 0.64 0.03 0.00 -1.84 -0.34 0.00 0.00 178.44 176.93 1ggj n GLU 106 N -3.25 0.43 -2.15 1.25 0.28 -1.26 -4.56 120.64 111.39 1ggj n GLU 106 Ca -0.01 0.05 -0.30 0.00 -0.16 0.00 0.00 57.16 56.73 1ggj n GLU 106 Cb 0.20 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.52 1ggj n GLU 106 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1ggj s ASP 107 N -2.46 5.42 0.30 -1.84 3.68 -0.89 -4.75 116.67 116.14 1ggj s ASP 107 Ca 0.26 -0.79 0.16 0.00 2.13 0.00 0.00 52.55 54.30 1ggj s ASP 107 Cb 0.16 -2.56 0.25 0.00 -1.45 0.00 0.00 42.92 39.32 1ggj s ASP 107 CO 0.35 -2.49 1.53 2.19 0.13 0.00 0.00 175.17 176.88 1ggj h PHE 108 N 11.11 0.00 -0.24 -5.34 -0.00 -1.90 -2.81 116.94 117.76 1ggj h PHE 108 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.99 1ggj h PHE 108 Cb 1.01 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.96 1ggj h PHE 108 CO 1.22 0.50 -0.17 0.82 -0.00 0.00 0.00 178.31 180.68 1ggj h ILE 109 N 0.00 1.31 0.37 0.88 2.04 -1.98 -1.26 117.51 118.86 1ggj h ILE 109 Ca -0.00 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 1ggj h ILE 109 Cb 1.26 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1ggj h ILE 109 CO 0.06 0.40 -0.18 0.25 0.00 0.00 0.00 178.15 178.69 1ggj h LEU 110 N 0.25 -0.42 -1.20 1.44 5.85 -1.94 -2.58 115.31 116.70 1ggj h LEU 110 Ca 0.05 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ggj h LEU 110 Cb 0.70 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1ggj h LEU 110 CO 0.05 -0.24 0.40 0.03 -0.34 0.00 0.00 178.44 178.33 1ggj h ARG 111 N -0.57 0.94 -0.28 1.25 3.08 -1.48 0.11 114.38 117.44 1ggj h ARG 111 Ca -0.05 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1ggj h ARG 111 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1ggj h ARG 111 CO 0.08 0.68 -0.04 1.49 -1.07 0.00 0.00 179.97 181.11 1ggj h GLU 112 N 0.95 0.51 -0.11 0.04 4.81 -1.24 0.50 114.58 120.05 1ggj h GLU 112 Ca 0.25 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1ggj h GLU 112 Cb -0.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1ggj h GLU 112 CO -0.04 0.70 0.07 -0.22 -0.73 0.00 0.00 179.01 178.79 1ggj h LYS 113 N 0.28 0.15 -0.42 1.92 3.64 -1.03 -1.41 116.57 119.71 1ggj h LYS 113 Ca 0.07 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1ggj h LYS 113 Cb 0.49 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ggj h LYS 113 CO 0.02 0.13 -0.27 0.82 -2.27 0.00 0.00 179.45 177.88 1ggj h ILE 114 N 0.13 1.27 0.13 2.00 1.08 -0.71 -2.15 117.51 119.27 1ggj h ILE 114 Ca 0.04 -1.43 0.01 0.00 -0.39 0.00 0.00 64.86 63.09 1ggj h ILE 114 Cb 0.01 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1ggj h ILE 114 CO -0.01 0.48 -0.17 0.74 -0.69 0.00 0.00 178.15 178.51 1ggj h THR 115 N 0.76 0.62 -0.33 -0.27 2.02 0.17 0.21 112.91 116.08 1ggj h THR 115 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1ggj h THR 115 Cb 0.83 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1ggj h THR 115 CO 0.07 0.00 0.01 -0.74 0.37 0.00 0.00 175.52 175.23 1ggj h HIS 116 N -0.34 0.01 -0.60 3.16 -0.00 -1.20 -1.81 115.15 114.37 1ggj h HIS 116 Ca 0.01 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.47 1ggj h HIS 116 Cb 0.34 0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.74 1ggj h HIS 116 CO -0.16 -0.04 0.30 0.35 -0.00 0.00 0.00 177.93 178.38 1ggj h PHE 117 N 0.11 0.54 0.00 5.26 3.57 -1.07 -2.35 116.94 122.99 1ggj h PHE 117 Ca 0.16 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1ggj h PHE 117 Cb 0.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1ggj h PHE 117 CO -0.23 0.23 0.00 -0.44 -2.23 0.00 0.00 178.31 175.65 1ggj h ASP 118 N 0.55 0.00 -0.00 0.41 3.45 0.23 -2.86 116.42 118.20 1ggj h ASP 118 Ca 0.28 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 1ggj h ASP 118 Cb 0.22 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 1ggj h ASP 118 CO -0.21 0.00 -0.58 1.41 -1.57 0.00 0.00 179.24 178.30 1ggj n HIS 119 N -2.94 0.01 -0.05 4.55 8.25 -0.89 -4.79 115.22 119.36 1ggj n HIS 119 Ca -0.01 -1.36 -0.09 0.00 -0.26 0.00 0.00 57.72 56.00 1ggj n HIS 119 Cb 0.16 -0.24 0.07 0.00 1.12 0.00 0.00 29.99 31.10 1ggj n HIS 119 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1ggj h GLU 120 N 1.01 0.69 -6.50 -0.41 5.08 -1.24 -3.45 114.58 109.75 1ggj h GLU 120 Ca -0.03 -0.35 -0.53 0.00 -1.00 0.00 0.00 59.36 57.46 1ggj h GLU 120 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1ggj h GLU 120 CO 0.02 0.95 0.22 1.03 -1.00 0.00 0.00 179.01 180.23 1ggj s ARG 121 N -4.34 4.60 0.24 2.33 1.81 -1.26 -5.08 118.95 117.26 1ggj s ARG 121 Ca -0.09 1.21 0.09 0.00 -1.72 0.00 0.00 55.73 55.22 1ggj s ARG 121 Cb 0.12 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 31.28 1ggj s ARG 121 CO 0.84 0.46 -0.01 0.96 -0.68 0.00 0.00 175.30 176.87 1ggj s ILE 122 N -0.76 3.48 0.28 1.52 -4.36 -1.26 -5.08 121.20 115.01 1ggj s ILE 122 Ca 0.38 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.66 1ggj s ILE 122 Cb -0.23 -2.83 -0.13 0.00 1.25 0.00 0.00 42.46 40.53 1ggj s ILE 122 CO 0.27 -0.31 1.43 -2.65 0.24 0.00 0.00 174.94 173.92 1ggj n PRO 123 N -0.69 2.23 -1.70 0.37 -0.02 -1.26 -4.97 135.00 128.95 1ggj n PRO 123 Ca -0.07 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1ggj n PRO 123 Cb 0.58 -2.46 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1ggj n PRO 123 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1ggj s GLU 124 N -0.79 2.78 0.29 -0.52 -1.05 -1.26 -4.82 118.70 113.33 1ggj s GLU 124 Ca 0.64 0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 55.85 1ggj s GLU 124 Cb -0.59 -1.99 -0.12 0.00 -0.44 0.00 0.00 34.13 30.98 1ggj s GLU 124 CO 0.52 -1.15 1.45 0.54 0.95 0.00 0.00 175.26 177.58 1ggj n ARG 125 N -3.12 2.34 -0.20 -4.83 1.74 -1.26 -4.90 116.66 106.42 1ggj n ARG 125 Ca 0.07 0.83 0.01 0.00 -0.77 0.00 0.00 57.85 57.98 1ggj n ARG 125 Cb 0.55 -2.51 0.11 0.00 -1.02 0.00 0.00 32.46 29.59 1ggj n ARG 125 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1ggj h ILE 126 N 3.02 0.63 -3.36 0.55 1.08 -1.98 -3.35 117.51 114.10 1ggj h ILE 126 Ca -0.46 -0.09 -0.34 0.00 -0.39 0.00 0.00 64.86 63.58 1ggj h ILE 126 Cb 1.26 0.36 -0.15 0.00 -3.07 0.00 0.00 36.82 35.22 1ggj h ILE 126 CO 0.72 0.05 -0.70 0.68 -0.69 0.00 0.00 178.15 178.21 1ggj s VAL 127 N -6.11 1.15 -1.60 1.67 -7.23 -1.26 -4.81 120.40 102.21 1ggj s VAL 127 Ca -0.13 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 57.94 1ggj s VAL 127 Cb 0.18 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 35.15 1ggj s VAL 127 CO 0.74 -0.64 0.49 1.41 -0.31 0.00 0.00 175.10 176.79 1ggj n HIS 128 N -0.26 -1.77 0.20 2.82 8.25 -0.21 -4.88 115.22 119.38 1ggj n HIS 128 Ca -0.09 0.42 0.05 0.00 -0.26 0.00 0.00 57.72 57.84 1ggj n HIS 128 Cb 0.61 -4.40 0.43 0.00 1.12 0.00 0.00 29.99 27.76 1ggj n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ggj h ALA 129 N 1.00 1.39 -2.45 -1.41 0.00 -1.70 -3.39 119.26 112.70 1ggj h ALA 129 Ca -0.52 -0.28 -0.67 0.00 0.00 0.00 0.00 54.91 53.44 1ggj h ALA 129 Cb 1.37 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.94 1ggj h ALA 129 CO 0.57 0.38 -0.18 0.50 0.00 0.00 0.00 179.25 180.52 1ggj s ARG 130 N -4.22 3.36 0.07 0.00 6.06 -1.25 -3.85 118.95 119.13 1ggj s ARG 130 Ca -0.03 -0.50 -0.21 0.00 -2.50 0.00 0.00 55.73 52.49 1ggj s ARG 130 Cb 0.14 -3.88 0.05 0.00 0.06 0.00 0.00 34.95 31.32 1ggj s ARG 130 CO 0.70 -0.72 0.50 0.20 -2.50 0.00 0.00 175.30 173.48 1ggj s GLY 131 N 1.79 -0.40 -0.04 8.12 0.00 -1.26 -1.21 107.32 114.33 1ggj s GLY 131 Ca 0.14 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1ggj s GLY 131 CO 0.13 0.16 -0.14 -0.56 0.00 0.00 0.00 173.10 172.69 1ggj s SER 132 N -2.18 1.83 0.13 1.64 0.01 0.12 -4.92 113.70 110.33 1ggj s SER 132 Ca -0.03 -0.29 0.04 0.00 1.31 0.00 0.00 55.95 56.97 1ggj s SER 132 Cb -0.00 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 1ggj s SER 132 CO -0.04 0.13 -0.09 0.00 0.41 0.00 0.00 173.24 173.64 1ggj s ALA 133 N 0.06 1.30 0.16 1.44 0.00 -1.26 -0.58 121.76 122.87 1ggj s ALA 133 Ca -0.03 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1ggj s ALA 133 Cb -0.10 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1ggj s ALA 133 CO 0.01 -0.13 0.50 0.00 0.00 0.00 0.00 175.76 176.15 1ggj s ALA 134 N -3.33 -1.17 0.24 0.00 0.00 -0.44 -4.51 121.76 112.55 1ggj s ALA 134 Ca 0.14 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 1ggj s ALA 134 Cb 0.03 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 1ggj s ALA 134 CO -0.01 -0.73 0.51 -1.01 0.00 0.00 0.00 175.76 174.52 1ggj s HIS 135 N -3.80 3.47 0.00 0.00 3.76 0.11 -0.97 115.29 117.85 1ggj s HIS 135 Ca 0.04 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 1ggj s HIS 135 Cb 0.00 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1ggj s HIS 135 CO -0.10 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 1ggj n GLY 136 N -0.58 2.23 3.18 -2.22 0.00 0.11 -1.39 105.19 106.51 1ggj n GLY 136 Ca -0.02 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1ggj n GLY 136 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ggj s TYR 137 N -2.58 0.02 0.11 1.61 -0.85 -0.59 -0.42 117.35 114.65 1ggj s TYR 137 Ca 0.00 -0.19 0.08 0.00 -0.52 0.00 0.00 57.07 56.44 1ggj s TYR 137 Cb 0.00 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1ggj s TYR 137 CO 0.00 -0.41 -0.21 0.12 -1.52 0.00 0.00 175.55 173.53 1ggj s PHE 138 N -2.28 1.82 -0.19 -3.49 5.36 0.15 -1.10 117.98 118.25 1ggj s PHE 138 Ca -0.07 -0.42 -0.12 0.00 -0.96 0.00 0.00 56.93 55.35 1ggj s PHE 138 Cb -0.02 -0.99 0.06 0.00 -0.34 0.00 0.00 43.02 41.73 1ggj s PHE 138 CO -0.02 0.23 0.47 -1.14 -1.46 0.00 0.00 175.22 173.30 1ggj s GLN 139 N -2.00 0.49 0.61 10.12 0.74 -0.67 -0.54 119.66 128.40 1ggj s GLN 139 Ca 0.08 0.83 -0.16 0.00 0.05 0.00 0.00 55.36 56.16 1ggj s GLN 139 Cb -0.10 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.06 1ggj s GLN 139 CO 0.05 -0.13 1.08 -2.14 -0.55 0.00 0.00 175.29 173.60 1ggj s PRO 140 N 1.16 3.15 0.22 1.67 0.02 -1.26 -1.10 135.00 138.85 1ggj s PRO 140 Ca -0.07 1.33 0.20 0.00 0.02 0.00 0.00 61.00 62.48 1ggj s PRO 140 Cb -0.07 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.48 1ggj s PRO 140 CO -0.11 -0.96 1.14 1.88 -0.33 0.00 0.00 177.00 178.63 1ggj h TYR 141 N 0.44 0.00 -2.82 6.54 0.99 -1.44 -3.39 116.97 117.30 1ggj h TYR 141 Ca -0.47 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.28 1ggj h TYR 141 Cb 1.24 0.00 -0.12 0.00 1.00 0.00 0.00 36.73 38.84 1ggj h TYR 141 CO 0.56 0.25 0.28 -1.59 -0.00 0.00 0.00 178.16 177.67 1ggj s LYS 142 N -3.14 1.20 0.20 4.88 -2.85 -1.26 -4.84 119.74 113.92 1ggj s LYS 142 Ca 0.01 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.22 1ggj s LYS 142 Cb 0.08 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.30 1ggj s LYS 142 CO 0.77 -0.53 1.32 0.45 0.10 0.00 0.00 175.35 177.47 1ggj s SER 143 N -2.70 6.87 -0.37 0.03 0.15 -1.26 -4.55 113.70 111.87 1ggj s SER 143 Ca 0.03 2.43 0.06 0.00 0.70 0.00 0.00 55.95 59.17 1ggj s SER 143 Cb -0.01 -2.61 0.55 0.00 -1.71 0.00 0.00 66.02 62.24 1ggj s SER 143 CO -0.11 -0.55 1.63 0.18 1.20 0.00 0.00 173.24 175.60 1ggj n LEU 144 N 2.59 5.23 0.30 3.45 4.77 0.03 -4.70 117.00 128.65 1ggj n LEU 144 Ca 0.06 -3.83 0.15 0.00 -0.03 0.00 0.00 56.01 52.36 1ggj n LEU 144 Cb 0.42 -0.71 0.91 0.00 -2.33 0.00 0.00 43.42 41.72 1ggj n LEU 144 CO 0.58 1.27 1.13 0.77 -1.33 0.00 0.00 177.39 179.80 1ggj h SER 145 N 1.13 0.00 0.36 -1.43 4.64 -1.77 0.71 113.55 117.19 1ggj h SER 145 Ca 0.39 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.64 1ggj h SER 145 Cb 1.97 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.05 1ggj h SER 145 CO 0.71 0.00 -0.31 0.44 -0.87 0.00 0.00 176.83 176.81 1ggj h ASP 146 N 0.00 0.00 0.00 4.97 3.45 -1.98 -3.32 116.42 119.55 1ggj h ASP 146 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1ggj h ASP 146 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ggj h ASP 146 CO -0.00 0.31 -1.22 2.30 -1.57 0.00 0.00 179.24 179.05 1ggj n ILE 147 N -4.05 0.06 -3.85 0.35 -5.35 -0.63 -4.86 119.36 101.03 1ggj n ILE 147 Ca -0.02 -0.12 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1ggj n ILE 147 Cb 0.36 0.13 -0.12 0.00 -1.74 0.00 0.00 39.64 38.27 1ggj n ILE 147 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1ggj s THR 148 N -2.27 0.02 -1.05 7.28 -1.32 0.15 -3.10 115.64 115.35 1ggj s THR 148 Ca -0.02 -0.19 0.15 0.00 -1.21 0.00 0.00 61.69 60.42 1ggj s THR 148 Cb 0.03 -0.24 0.63 0.00 -1.51 0.00 0.00 72.50 71.41 1ggj s THR 148 CO 0.19 -0.11 1.51 2.29 -2.21 0.00 0.00 174.62 176.29 1ggj n LYS 149 N 2.62 3.51 -1.90 7.08 2.85 0.61 -3.76 118.16 129.18 1ggj n LYS 149 Ca -0.15 -2.48 -0.42 0.00 -1.05 0.00 0.00 58.31 54.21 1ggj n LYS 149 Cb 0.58 -1.87 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 1ggj n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ggj s ALA 150 N -1.93 3.63 0.26 0.58 0.00 -1.23 -4.59 121.76 118.48 1ggj s ALA 150 Ca 0.44 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.49 1ggj s ALA 150 Cb 0.29 -3.76 0.42 0.00 0.00 0.00 0.00 23.12 20.08 1ggj s ALA 150 CO 0.20 -1.36 1.86 0.22 0.00 0.00 0.00 175.76 176.68 1ggj h ASP 151 N 9.46 0.95 0.54 0.00 3.58 -1.92 -1.57 116.42 127.46 1ggj h ASP 151 Ca -0.43 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1ggj h ASP 151 Cb 1.20 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1ggj h ASP 151 CO 0.94 0.58 0.00 2.22 -2.88 0.00 0.00 179.24 180.10 1ggj n PHE 152 N -4.57 0.77 -0.60 0.28 1.16 -1.26 -2.21 117.46 111.04 1ggj n PHE 152 Ca 0.16 0.33 0.08 0.00 -1.87 0.00 0.00 57.45 56.14 1ggj n PHE 152 Cb 0.23 -1.02 0.26 0.00 -1.61 0.00 0.00 39.48 37.34 1ggj n PHE 152 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1ggj n LEU 153 N -2.22 3.91 0.02 5.98 4.77 -0.60 -4.62 117.00 124.24 1ggj n LEU 153 Ca 0.01 -2.49 0.12 0.00 -0.03 0.00 0.00 56.01 53.62 1ggj n LEU 153 Cb 0.18 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 40.97 1ggj n LEU 153 CO 0.17 0.74 0.29 -1.54 -1.33 0.00 0.00 177.39 175.72 1ggj n SER 154 N 0.41 0.61 -3.67 -1.43 3.41 -0.94 -0.79 113.62 111.22 1ggj n SER 154 Ca 0.20 -0.16 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1ggj n SER 154 Cb 0.74 0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 65.00 1ggj n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ggj s ASP 155 N -3.60 -0.67 0.60 4.04 3.68 -1.26 -4.50 116.67 114.96 1ggj s ASP 155 Ca 0.08 1.23 0.34 0.00 2.13 0.00 0.00 52.55 56.32 1ggj s ASP 155 Cb 0.15 1.20 1.90 0.00 -1.45 0.00 0.00 42.92 44.73 1ggj s ASP 155 CO 0.74 -0.21 2.23 1.55 0.13 0.00 0.00 175.17 179.61 1ggj h PRO 156 N 5.68 0.00 -0.10 4.34 0.13 -1.80 -1.01 132.00 139.24 1ggj h PRO 156 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ggj h PRO 156 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ggj h PRO 156 CO 0.15 0.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.04 1ggj n ASN 157 N -3.51 1.73 -4.60 1.44 5.03 -1.26 -4.42 115.26 109.67 1ggj n ASN 157 Ca -0.02 -1.64 -0.42 0.00 0.87 0.00 0.00 54.58 53.36 1ggj n ASN 157 Cb 0.13 -0.06 -0.04 0.00 -1.02 0.00 0.00 39.78 38.79 1ggj n ASN 157 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1ggj s LYS 158 N -1.88 3.80 -0.23 3.52 2.20 -0.38 -5.02 119.74 121.74 1ggj s LYS 158 Ca 0.35 0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 56.30 1ggj s LYS 158 Cb 0.19 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 1ggj s LYS 158 CO 0.30 -0.91 0.21 0.42 -0.36 0.00 0.00 175.35 175.01 1ggj s ILE 159 N 3.32 5.32 -0.24 5.43 1.01 -1.26 -4.39 121.20 130.39 1ggj s ILE 159 Ca 0.35 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 1ggj s ILE 159 Cb -0.12 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 1ggj s ILE 159 CO 0.18 0.32 -0.02 -0.89 0.00 0.00 0.00 174.94 174.53 1ggj s THR 160 N 1.14 3.44 0.62 2.92 2.01 0.30 -4.94 115.64 121.12 1ggj s THR 160 Ca 0.10 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 1ggj s THR 160 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1ggj s THR 160 CO 0.05 0.32 1.29 -2.84 -0.69 0.00 0.00 174.62 172.75 1ggj s PRO 161 N 1.46 2.76 0.10 4.92 0.02 -1.26 0.33 135.00 143.33 1ggj s PRO 161 Ca 0.04 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.08 1ggj s PRO 161 Cb -0.15 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1ggj s PRO 161 CO -0.02 -1.43 0.04 0.14 -0.33 0.00 0.00 177.00 175.40 1ggj s VAL 162 N -1.42 0.15 -0.10 3.83 -7.23 0.44 -1.92 120.40 114.15 1ggj s VAL 162 Ca 0.79 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1ggj s VAL 162 Cb -0.36 -1.77 0.04 0.00 0.56 0.00 0.00 36.38 34.85 1ggj s VAL 162 CO 0.40 -0.69 0.06 0.12 -0.31 0.00 0.00 175.10 174.68 1ggj s PHE 163 N -3.98 0.26 -0.11 2.82 5.36 -0.86 -0.71 117.98 120.76 1ggj s PHE 163 Ca 0.15 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.04 1ggj s PHE 163 Cb 0.07 -0.64 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 1ggj s PHE 163 CO -0.04 -0.35 -0.12 0.08 -1.46 0.00 0.00 175.22 173.33 1ggj s VAL 164 N 2.11 3.20 -0.17 3.12 1.01 -0.14 -0.69 120.40 128.84 1ggj s VAL 164 Ca 0.03 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ggj s VAL 164 Cb -0.14 -2.34 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ggj s VAL 164 CO -0.06 0.54 -0.19 -0.60 0.00 0.00 0.00 175.10 174.79 1ggj s ARG 165 N 0.08 2.87 0.14 2.72 3.52 -0.21 -1.33 118.95 126.74 1ggj s ARG 165 Ca -0.05 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 1ggj s ARG 165 Cb -0.14 -2.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 1ggj s ARG 165 CO 0.04 -0.19 0.29 -0.06 -0.81 0.00 0.00 175.30 174.57 1ggj s PHE 166 N 1.25 3.49 0.24 5.12 0.40 0.25 -1.13 117.98 127.61 1ggj s PHE 166 Ca 0.03 0.19 -0.21 0.00 -0.60 0.00 0.00 56.93 56.34 1ggj s PHE 166 Cb -0.13 -1.72 0.05 0.00 0.51 0.00 0.00 43.02 41.73 1ggj s PHE 166 CO -0.11 0.51 0.88 -1.54 0.70 0.00 0.00 175.22 175.65 1ggj s SER 167 N -3.06 -0.13 0.17 1.36 1.04 -0.58 0.11 113.70 112.61 1ggj s SER 167 Ca 0.35 -0.66 0.02 0.00 0.48 0.00 0.00 55.95 56.14 1ggj s SER 167 Cb -0.11 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.66 1ggj s SER 167 CO 0.28 -1.20 0.18 0.35 0.98 0.00 0.00 173.24 173.83 1ggj n THR 168 N -0.52 0.00 -0.00 2.02 -2.24 -0.35 0.46 114.28 113.65 1ggj n THR 168 Ca -0.05 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1ggj n THR 168 Cb 0.60 -0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1ggj n THR 168 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ggj n VAL 169 N -1.32 0.20 -0.02 2.28 0.31 -1.24 -3.71 118.33 114.82 1ggj n VAL 169 Ca 0.04 0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1ggj n VAL 169 Cb 0.13 -1.53 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 1ggj n VAL 169 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ggj h GLN 170 N -0.04 -0.04 -7.31 5.55 -0.00 -1.96 -0.53 115.11 110.77 1ggj h GLN 170 Ca -0.03 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.12 1ggj h GLN 170 Cb 0.92 0.01 0.15 0.00 0.00 0.00 0.00 27.48 28.56 1ggj h GLN 170 CO -0.02 0.62 0.27 0.20 0.00 0.00 0.00 178.83 179.91 1ggj s GLY 171 N -3.63 1.65 1.11 2.39 0.00 -1.26 -4.77 107.32 102.81 1ggj s GLY 171 Ca -0.16 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.56 1ggj s GLY 171 CO 0.62 0.60 1.22 -0.32 0.00 0.00 0.00 173.10 175.22 1ggj s GLY 172 N -3.28 1.69 0.54 0.20 0.00 -1.26 -3.79 107.32 101.41 1ggj s GLY 172 Ca 0.63 -1.15 0.20 0.00 0.00 0.00 0.00 44.72 44.40 1ggj s GLY 172 CO 0.57 -0.28 2.15 0.00 0.00 0.00 0.00 173.10 175.54 1ggj h ALA 173 N -2.23 1.97 -0.26 3.20 0.00 -1.94 -1.17 119.26 118.83 1ggj h ALA 173 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1ggj h ALA 173 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ggj h ALA 173 CO 0.32 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1ggj n GLY 174 N -1.51 0.66 3.82 0.00 0.00 -1.26 -4.66 105.19 102.23 1ggj n GLY 174 Ca -0.01 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1ggj n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ggj s SER 175 N -1.43 2.64 0.30 1.61 1.04 -0.44 -5.05 113.70 112.38 1ggj s SER 175 Ca 0.32 0.50 -0.10 0.00 0.48 0.00 0.00 55.95 57.14 1ggj s SER 175 Cb 0.18 -0.70 -0.07 0.00 0.10 0.00 0.00 66.02 65.53 1ggj s SER 175 CO 0.25 -3.05 0.65 0.00 0.98 0.00 0.00 173.24 172.08 1ggj s ALA 176 N -3.54 3.46 -0.02 5.32 0.00 -1.26 -4.91 121.76 120.82 1ggj s ALA 176 Ca 0.71 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 1ggj s ALA 176 Cb -0.07 -2.56 -0.26 0.00 0.00 0.00 0.00 23.12 20.23 1ggj s ALA 176 CO 0.54 0.30 1.03 -0.44 0.00 0.00 0.00 175.76 177.19 1ggj h ASP 177 N 2.04 0.49 -0.27 0.00 3.45 -1.20 -3.36 116.42 117.58 1ggj h ASP 177 Ca -0.47 -0.82 -0.16 0.00 0.43 0.00 0.00 57.03 56.01 1ggj h ASP 177 Cb 1.18 -0.15 -0.08 0.00 -0.56 0.00 0.00 39.33 39.72 1ggj h ASP 177 CO 0.66 1.25 0.20 0.35 -1.57 0.00 0.00 179.24 180.14 1ggj n THR 178 N -4.22 1.99 -1.12 0.35 -2.24 -1.26 -4.90 114.28 102.88 1ggj n THR 178 Ca -0.11 -0.81 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 1ggj n THR 178 Cb 0.70 -1.12 0.16 0.00 -2.10 0.00 0.00 70.33 67.98 1ggj n THR 178 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggj s VAL 179 N -1.07 2.34 -0.32 2.28 -7.23 -1.26 -4.40 120.40 110.74 1ggj s VAL 179 Ca 0.16 0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 60.20 1ggj s VAL 179 Cb 0.13 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1ggj s VAL 179 CO 0.01 -0.14 0.82 -0.60 -0.31 0.00 0.00 175.10 174.88 1ggj s ARG 180 N -4.90 3.92 0.15 4.82 3.52 -1.26 -4.59 118.95 120.61 1ggj s ARG 180 Ca 0.65 0.57 -0.24 0.00 -0.13 0.00 0.00 55.73 56.57 1ggj s ARG 180 Cb -0.19 -3.75 0.07 0.00 -1.56 0.00 0.00 34.95 29.52 1ggj s ARG 180 CO 0.58 -0.75 1.02 0.34 -0.81 0.00 0.00 175.30 175.68 1ggj s ASP 181 N 1.68 -0.10 0.47 -2.12 3.68 -0.71 -4.61 116.67 114.96 1ggj s ASP 181 Ca 0.34 -0.49 -0.16 0.00 2.13 0.00 0.00 52.55 54.37 1ggj s ASP 181 Cb -0.14 0.46 -0.08 0.00 -1.45 0.00 0.00 42.92 41.72 1ggj s ASP 181 CO 0.14 -0.89 0.92 -0.63 0.13 0.00 0.00 175.17 174.85 1ggj s ILE 182 N -2.79 4.56 -0.08 4.11 -1.09 -1.26 -4.43 121.20 120.22 1ggj s ILE 182 Ca 0.16 1.14 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1ggj s ILE 182 Cb -0.01 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1ggj s ILE 182 CO 0.03 -0.56 -0.12 -0.13 -1.23 0.00 0.00 174.94 172.93 1ggj s ARG 183 N -3.80 2.87 0.47 2.79 1.81 -1.26 -3.67 118.95 118.16 1ggj s ARG 183 Ca 0.58 -0.65 -0.14 0.00 -1.72 0.00 0.00 55.73 53.81 1ggj s ARG 183 Cb -0.10 -2.53 -0.07 0.00 -0.45 0.00 0.00 34.95 31.80 1ggj s ARG 183 CO 0.27 0.50 0.89 0.20 -0.68 0.00 0.00 175.30 176.48 1ggj s GLY 184 N -0.40 1.99 -0.36 -3.53 0.00 0.17 -0.93 107.32 104.26 1ggj s GLY 184 Ca 0.05 -0.00 0.03 0.00 0.00 0.00 0.00 44.72 44.79 1ggj s GLY 184 CO 0.02 0.23 0.36 -0.12 0.00 0.00 0.00 173.10 173.60 1ggj s PHE 185 N -2.54 -0.26 -0.14 1.90 2.19 -0.46 -1.53 117.98 117.13 1ggj s PHE 185 Ca 0.55 -0.82 -0.05 0.00 0.33 0.00 0.00 56.93 56.94 1ggj s PHE 185 Cb -0.10 -0.44 -0.04 0.00 -1.31 0.00 0.00 43.02 41.14 1ggj s PHE 185 CO 0.32 -0.96 0.04 0.00 1.83 0.00 0.00 175.22 176.45 1ggj s ALA 186 N 1.47 3.37 -0.14 11.12 0.00 -0.28 -0.83 121.76 136.47 1ggj s ALA 186 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ggj s ALA 186 Cb -0.16 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.25 1ggj s ALA 186 CO -0.05 0.36 -0.12 0.99 0.00 0.00 0.00 175.76 176.94 1ggj s THR 187 N -0.17 1.40 -0.43 0.00 2.01 -0.44 -1.05 115.64 116.96 1ggj s THR 187 Ca 0.06 -0.55 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1ggj s THR 187 Cb -0.12 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1ggj s THR 187 CO 0.02 0.40 0.42 -0.75 -0.69 0.00 0.00 174.62 174.02 1ggj s LYS 188 N 1.55 3.05 -0.36 4.92 2.20 0.13 -0.86 119.74 130.38 1ggj s LYS 188 Ca 0.04 -0.93 -0.20 0.00 -0.36 0.00 0.00 55.97 54.53 1ggj s LYS 188 Cb -0.13 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 1ggj s LYS 188 CO -0.10 -0.89 0.63 -0.06 -0.36 0.00 0.00 175.35 174.57 1ggj s PHE 189 N 2.00 3.15 -1.33 4.03 0.40 -0.06 -2.03 117.98 124.14 1ggj s PHE 189 Ca 0.09 0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.62 1ggj s PHE 189 Cb -0.19 -3.12 0.11 0.00 0.51 0.00 0.00 43.02 40.33 1ggj s PHE 189 CO 0.12 -0.62 1.90 0.66 0.70 0.00 0.00 175.22 177.97 1ggj n TYR 190 N 6.02 3.75 -1.37 0.36 4.01 -0.81 -1.86 117.16 127.27 1ggj n TYR 190 Ca -0.02 -2.95 -0.29 0.00 -0.16 0.00 0.00 57.90 54.48 1ggj n TYR 190 Cb 0.49 -2.30 0.19 0.00 -0.31 0.00 0.00 39.34 37.41 1ggj n TYR 190 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1ggj s THR 191 N 2.11 1.85 -1.68 -0.72 -4.23 -1.00 -4.44 115.64 107.52 1ggj s THR 191 Ca 0.45 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.25 1ggj s THR 191 Cb 0.08 -2.65 0.51 0.00 1.34 0.00 0.00 72.50 71.78 1ggj s THR 191 CO -0.01 0.00 1.91 -0.62 -0.54 0.00 0.00 174.62 175.36 1ggj n GLU 192 N -4.22 0.72 -0.29 3.99 1.02 -1.26 -3.33 120.64 117.26 1ggj n GLU 192 Ca 0.10 -0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1ggj n GLU 192 Cb 0.59 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.67 1ggj n GLU 192 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ggj n GLU 193 N -0.96 1.30 0.00 3.49 1.02 -1.26 -4.83 120.64 119.40 1ggj n GLU 193 Ca 0.15 -2.73 0.00 0.00 -0.02 0.00 0.00 57.16 54.56 1ggj n GLU 193 Cb 0.26 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1ggj n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggj n GLY 194 N -1.24 2.64 3.73 0.62 0.00 -1.21 -4.77 105.19 104.96 1ggj n GLY 194 Ca 0.16 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1ggj n GLY 194 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 195 N -2.02 4.09 -0.19 -0.61 -1.09 -1.26 -2.37 121.20 117.76 1ggj s ILE 195 Ca 0.00 1.68 0.01 0.00 -2.23 0.00 0.00 60.65 60.11 1ggj s ILE 195 Cb 0.00 -4.07 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1ggj s ILE 195 CO 0.00 0.23 -0.10 0.12 -1.23 0.00 0.00 174.94 173.96 1ggj s PHE 196 N 0.24 2.27 -0.27 3.97 5.36 -0.78 -4.11 117.98 124.66 1ggj s PHE 196 Ca 0.52 -1.47 -0.10 0.00 -0.96 0.00 0.00 56.93 54.91 1ggj s PHE 196 Cb -0.28 -1.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.78 1ggj s PHE 196 CO 0.32 -0.71 0.17 -0.51 -1.46 0.00 0.00 175.22 173.02 1ggj s ASP 197 N 1.45 5.84 -0.50 6.13 -0.00 -0.60 -0.88 116.67 128.12 1ggj s ASP 197 Ca -0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 52.55 52.37 1ggj s ASP 197 Cb -0.16 -2.08 0.11 0.00 -0.00 0.00 0.00 42.92 40.80 1ggj s ASP 197 CO -0.08 -0.05 0.41 -0.22 -0.00 0.00 0.00 175.17 175.23 1ggj s LEU 198 N 1.73 5.85 -0.86 1.23 2.96 -0.04 -4.39 118.68 125.15 1ggj s LEU 198 Ca 0.07 -1.74 -0.15 0.00 -0.22 0.00 0.00 54.13 52.09 1ggj s LEU 198 Cb -0.16 -2.12 0.20 0.00 0.50 0.00 0.00 46.19 44.61 1ggj s LEU 198 CO 0.09 -0.74 0.86 -0.69 -1.32 0.00 0.00 176.35 174.56 1ggj s VAL 199 N 1.51 5.40 0.00 1.68 1.01 -1.26 -1.33 120.40 127.40 1ggj s VAL 199 Ca 0.04 -2.26 0.00 0.00 0.00 0.00 0.00 61.98 59.76 1ggj s VAL 199 Cb -0.27 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.56 1ggj s VAL 199 CO 0.02 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.58 1ggj n GLY 200 N 4.34 5.49 3.59 4.51 0.00 -0.01 -4.92 105.19 118.19 1ggj n GLY 200 Ca 0.17 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1ggj n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggj s ALA 201 N -2.10 0.18 -1.99 4.61 0.00 -0.67 -1.36 121.76 120.43 1ggj s ALA 201 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 51.96 50.88 1ggj s ALA 201 Cb 0.00 1.02 0.34 0.00 0.00 0.00 0.00 23.12 24.47 1ggj s ALA 201 CO 0.00 -0.85 1.28 0.27 0.00 0.00 0.00 175.76 176.46 1ggj n ASN 202 N -1.21 2.05 -4.12 0.00 6.94 -0.11 -0.35 115.26 118.47 1ggj n ASN 202 Ca -0.02 -2.00 -0.15 0.00 -0.02 0.00 0.00 54.58 52.39 1ggj n ASN 202 Cb 0.61 -0.26 -0.11 0.00 -2.36 0.00 0.00 39.78 37.66 1ggj n ASN 202 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ggj s THR 203 N -1.49 0.78 -1.34 5.53 -4.23 -1.26 -4.55 115.64 109.08 1ggj s THR 203 Ca 0.26 -1.28 0.29 0.00 -1.18 0.00 0.00 61.69 59.78 1ggj s THR 203 Cb 0.13 -0.92 0.45 0.00 1.34 0.00 0.00 72.50 73.50 1ggj s THR 203 CO 0.17 -0.39 1.99 -0.81 -0.54 0.00 0.00 174.62 175.04 1ggj n PRO 204 N 1.19 0.32 -4.43 3.99 -0.04 -1.26 -4.58 135.00 130.19 1ggj n PRO 204 Ca -0.21 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.05 1ggj n PRO 204 Cb 0.55 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 1ggj n PRO 204 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1ggj s ILE 205 N -2.66 0.84 0.39 0.52 -0.00 -1.26 -4.42 121.20 114.61 1ggj s ILE 205 Ca 0.25 -2.00 0.08 0.00 -0.00 0.00 0.00 60.65 58.97 1ggj s ILE 205 Cb 0.19 -2.62 -0.06 0.00 -0.00 0.00 0.00 42.46 39.97 1ggj s ILE 205 CO 0.46 0.00 0.08 0.12 -0.00 0.00 0.00 174.94 175.60 1ggj s PHE 206 N -3.39 2.56 0.25 1.37 2.19 0.53 -4.90 117.98 116.60 1ggj s PHE 206 Ca 0.33 -0.56 0.08 0.00 0.33 0.00 0.00 56.93 57.11 1ggj s PHE 206 Cb 0.07 -1.76 0.28 0.00 -1.31 0.00 0.00 43.02 40.30 1ggj s PHE 206 CO 0.15 0.35 1.57 0.74 1.83 0.00 0.00 175.22 179.86 1ggj h PHE 207 N 1.64 0.09 -2.57 10.12 -1.00 -1.88 -3.38 116.94 119.96 1ggj h PHE 207 Ca -0.43 -0.04 -0.52 0.00 2.81 0.00 0.00 57.97 59.79 1ggj h PHE 207 Cb 1.25 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.65 1ggj h PHE 207 CO 0.68 0.69 -0.74 0.96 -1.61 0.00 0.00 178.31 178.29 1ggj s ILE 208 N -3.58 2.05 -0.13 -0.55 -4.36 -1.26 -2.66 121.20 110.71 1ggj s ILE 208 Ca -0.02 -2.29 -0.04 0.00 -0.26 0.00 0.00 60.65 58.04 1ggj s ILE 208 Cb 0.12 -2.19 -0.25 0.00 1.25 0.00 0.00 42.46 41.39 1ggj s ILE 208 CO 0.78 -0.49 0.32 0.00 0.24 0.00 0.00 174.94 175.79 1ggj n GLN 209 N -0.50 0.74 -4.91 0.37 6.02 -1.26 -4.62 117.38 113.22 1ggj n GLN 209 Ca -0.07 0.25 -0.33 0.00 -0.01 0.00 0.00 57.00 56.85 1ggj n GLN 209 Cb 0.60 -1.69 -0.14 0.00 1.02 0.00 0.00 30.24 30.03 1ggj n GLN 209 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ggj s ASP 210 N -6.91 3.93 0.58 1.08 -1.08 -1.26 -2.50 116.67 110.51 1ggj s ASP 210 Ca -0.22 -0.25 0.27 0.00 -0.52 0.00 0.00 52.55 51.82 1ggj s ASP 210 Cb 0.07 -0.99 1.64 0.00 -1.46 0.00 0.00 42.92 42.18 1ggj s ASP 210 CO 0.76 0.30 2.15 0.00 0.52 0.00 0.00 175.17 178.89 1ggj h ALA 211 N 5.69 1.79 -0.04 3.66 0.00 -1.70 -2.19 119.26 126.47 1ggj h ALA 211 Ca -0.41 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1ggj h ALA 211 Cb 1.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ggj h ALA 211 CO 0.51 -0.19 0.03 1.25 0.00 0.00 0.00 179.25 180.85 1ggj h HIS 212 N 0.00 0.00 -0.14 0.00 6.17 -1.95 -1.05 115.15 118.19 1ggj h HIS 212 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1ggj h HIS 212 Cb 0.32 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1ggj h HIS 212 CO 0.00 0.00 0.00 1.63 0.71 0.00 0.00 177.93 180.27 1ggj n LYS 213 N -4.48 1.67 -0.02 5.26 5.02 -0.82 -4.42 118.16 120.37 1ggj n LYS 213 Ca -0.02 -1.01 -0.09 0.00 -2.02 0.00 0.00 58.31 55.17 1ggj n LYS 213 Cb 0.13 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1ggj n LYS 213 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1ggj h PHE 214 N 2.09 -0.09 -0.55 2.13 3.04 -1.31 -0.40 116.94 121.85 1ggj h PHE 214 Ca 0.00 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.00 1ggj h PHE 214 Cb 0.46 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1ggj h PHE 214 CO 0.08 -0.07 0.36 -1.35 -2.02 0.00 0.00 178.31 175.31 1ggj h PRO 215 N -0.01 0.59 -0.07 6.41 0.11 -1.80 0.53 132.00 137.75 1ggj h PRO 215 Ca 0.07 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1ggj h PRO 215 Cb 0.12 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1ggj h PRO 215 CO -0.16 0.39 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.57 1ggj h ASP 216 N 0.61 0.14 -0.03 -2.05 3.45 -1.66 -0.78 116.42 116.10 1ggj h ASP 216 Ca 0.22 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 1ggj h ASP 216 Cb 0.12 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1ggj h ASP 216 CO -0.06 0.45 0.02 0.15 -1.57 0.00 0.00 179.24 178.23 1ggj h PHE 217 N -0.18 0.04 -0.64 4.55 3.04 -0.12 -0.95 116.94 122.69 1ggj h PHE 217 Ca 0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1ggj h PHE 217 Cb 0.38 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1ggj h PHE 217 CO 0.04 0.07 0.36 0.28 -2.02 0.00 0.00 178.31 177.03 1ggj h VAL 218 N 0.00 1.20 -0.50 1.41 2.07 -0.98 -1.19 116.25 118.27 1ggj h VAL 218 Ca 0.01 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1ggj h VAL 218 Cb 0.04 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1ggj h VAL 218 CO -0.00 0.22 0.11 0.45 0.02 0.00 0.00 177.57 178.37 1ggj h HIS 219 N 0.88 0.79 -0.59 1.57 3.86 -1.02 0.15 115.15 120.78 1ggj h HIS 219 Ca 0.23 -0.07 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 1ggj h HIS 219 Cb 0.04 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ggj h HIS 219 CO -0.01 0.67 0.09 0.00 0.86 0.00 0.00 177.93 179.54 1ggj h ALA 220 N 1.39 0.79 0.09 2.45 0.00 -0.50 -3.29 119.26 120.18 1ggj h ALA 220 Ca 0.16 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 1ggj h ALA 220 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ggj h ALA 220 CO -0.00 0.55 -1.36 -0.24 0.00 0.00 0.00 179.25 178.20 1ggj h VAL 221 N 0.89 1.34 -3.59 0.00 3.04 -0.92 -2.50 116.25 114.51 1ggj h VAL 221 Ca 0.18 -2.99 -0.46 0.00 -1.01 0.00 0.00 66.70 62.42 1ggj h VAL 221 Cb 0.43 2.81 0.20 0.00 -2.01 0.00 0.00 31.29 32.73 1ggj h VAL 221 CO 0.01 0.85 0.09 -0.54 -1.01 0.00 0.00 177.57 176.97 1ggj s LYS 222 N -2.64 -0.25 0.24 4.17 -0.14 0.01 -4.64 119.74 116.49 1ggj s LYS 222 Ca -0.05 1.00 -0.31 0.00 -1.36 0.00 0.00 55.97 55.24 1ggj s LYS 222 Cb 0.08 -1.62 -0.13 0.00 -1.68 0.00 0.00 37.83 34.47 1ggj s LYS 222 CO 0.86 -3.32 1.40 -2.30 -0.76 0.00 0.00 175.35 171.23 1ggj n PRO 223 N -4.65 2.02 -1.80 -1.68 -0.02 -1.26 -4.79 135.00 122.82 1ggj n PRO 223 Ca 0.05 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1ggj n PRO 223 Cb 0.54 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 1ggj n PRO 223 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggj s GLU 224 N -0.43 3.95 0.38 -0.52 2.02 -0.15 -4.70 118.70 119.25 1ggj s GLU 224 Ca 0.68 2.52 0.06 0.00 0.02 0.00 0.00 54.97 58.25 1ggj s GLU 224 Cb -0.65 -2.85 0.77 0.00 0.10 0.00 0.00 34.13 31.50 1ggj s GLU 224 CO 0.50 -0.65 2.01 -1.00 0.02 0.00 0.00 175.26 176.14 1ggj h PRO 225 N 2.74 0.68 -0.06 0.39 0.13 -1.90 0.50 132.00 134.47 1ggj h PRO 225 Ca -0.51 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.54 1ggj h PRO 225 Cb 1.25 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1ggj h PRO 225 CO 0.63 0.45 -0.13 1.12 -0.23 0.00 0.00 178.00 179.84 1ggj h HIS 226 N 0.70 0.25 -0.00 1.56 2.07 -1.96 -3.38 115.15 114.38 1ggj h HIS 226 Ca 0.23 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.66 1ggj h HIS 226 Cb 0.06 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 30.00 1ggj h HIS 226 CO -0.00 0.72 -0.04 -2.67 -3.07 0.00 0.00 177.93 172.87 1ggj n TRP 227 N -4.63 0.00 -3.64 6.12 4.27 -1.21 -5.03 117.44 113.32 1ggj n TRP 227 Ca -0.08 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.31 1ggj n TRP 227 Cb 0.37 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.36 1ggj n TRP 227 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ggj n ALA 228 N -0.08 -2.14 -2.73 -1.67 0.00 0.18 -4.99 120.51 109.09 1ggj n ALA 228 Ca 0.02 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1ggj n ALA 228 Cb 0.09 -2.64 -0.14 0.00 0.00 0.00 0.00 19.45 16.76 1ggj n ALA 228 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ggj s ILE 229 N -3.60 0.57 0.11 0.00 1.01 -1.25 -4.69 121.20 113.34 1ggj s ILE 229 Ca 0.11 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1ggj s ILE 229 Cb -0.03 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1ggj s ILE 229 CO 0.81 0.10 0.11 -2.16 0.00 0.00 0.00 174.94 173.79 1ggj s PRO 230 N -0.33 2.91 0.08 2.79 0.04 -1.26 -0.98 135.00 138.25 1ggj s PRO 230 Ca 0.01 -0.75 -0.28 0.00 0.04 0.00 0.00 61.00 60.03 1ggj s PRO 230 Cb -0.04 -2.71 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 1ggj s PRO 230 CO -0.00 0.54 0.87 -1.14 0.04 0.00 0.00 177.00 177.30 1ggj s GLN 231 N -2.67 4.60 -1.81 4.56 2.00 -1.26 -4.00 119.66 121.08 1ggj s GLN 231 Ca 0.30 1.27 0.00 0.00 -2.00 0.00 0.00 55.36 54.93 1ggj s GLN 231 Cb -0.11 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.32 1ggj s GLN 231 CO 0.23 0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.67 1ggj n GLY 232 N 2.32 0.22 2.94 2.59 0.00 -1.26 -4.98 105.19 107.02 1ggj n GLY 232 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1ggj n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggj s GLN 233 N -4.62 0.08 0.00 1.61 -0.21 -1.26 -4.46 119.66 110.80 1ggj s GLN 233 Ca 0.00 0.11 0.26 0.00 0.02 0.00 0.00 55.36 55.75 1ggj s GLN 233 Cb 0.00 0.03 0.59 0.00 1.00 0.00 0.00 33.01 34.63 1ggj s GLN 233 CO 0.00 -0.02 1.48 -1.13 -2.12 0.00 0.00 175.29 173.50 1ggj n SER 234 N 3.10 2.14 -3.64 5.90 3.41 -1.26 -4.71 113.62 118.55 1ggj n SER 234 Ca -0.13 -1.67 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 1ggj n SER 234 Cb 0.59 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1ggj n SER 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggj n ALA 235 N 0.59 5.12 -3.24 7.33 0.00 -1.26 -4.58 120.51 124.48 1ggj n ALA 235 Ca 0.16 -3.62 -0.12 0.00 0.00 0.00 0.00 53.44 49.86 1ggj n ALA 235 Cb 0.47 -3.53 -0.03 0.00 0.00 0.00 0.00 19.45 16.35 1ggj n ALA 235 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ggj s HIS 236 N 3.58 -0.40 0.18 0.00 -3.43 -1.26 -4.74 115.29 109.22 1ggj s HIS 236 Ca 0.51 0.19 -0.21 0.00 -0.80 0.00 0.00 55.06 54.75 1ggj s HIS 236 Cb 0.14 0.41 0.10 0.00 -1.43 0.00 0.00 32.58 31.80 1ggj s HIS 236 CO -0.03 -0.76 1.60 -0.44 -2.00 0.00 0.00 174.74 173.11 1ggj h ASP 237 N 2.26 -0.98 -0.71 7.38 5.19 -1.89 -2.83 116.42 124.84 1ggj h ASP 237 Ca -0.33 0.19 -0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1ggj h ASP 237 Cb 1.27 0.49 -0.03 0.00 0.18 0.00 0.00 39.33 41.24 1ggj h ASP 237 CO 0.42 -0.29 0.44 0.71 -3.12 0.00 0.00 179.24 177.40 1ggj h THR 238 N -0.19 1.19 0.57 0.35 1.35 -1.95 -0.15 112.91 114.08 1ggj h THR 238 Ca 0.20 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 1ggj h THR 238 Cb 0.52 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1ggj h THR 238 CO -0.57 0.20 -0.27 0.15 -0.25 0.00 0.00 175.52 174.78 1ggj h PHE 239 N 0.98 -0.71 -0.05 4.73 3.57 -1.19 -2.04 116.94 122.23 1ggj h PHE 239 Ca 0.26 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1ggj h PHE 239 Cb -0.06 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1ggj h PHE 239 CO 0.00 -0.43 -0.18 -1.49 -2.23 0.00 0.00 178.31 173.99 1ggj h TRP 240 N -0.80 0.08 0.29 0.41 4.06 -1.49 -1.44 115.95 117.06 1ggj h TRP 240 Ca -0.08 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1ggj h TRP 240 Cb 0.60 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1ggj h TRP 240 CO -0.03 0.26 -0.14 0.22 -3.56 0.00 0.00 178.44 175.20 1ggj h ASP 241 N 0.08 -0.33 -0.64 -3.49 3.58 -0.89 0.29 116.42 115.02 1ggj h ASP 241 Ca 0.01 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1ggj h ASP 241 Cb 0.37 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1ggj h ASP 241 CO 0.03 -0.21 0.39 0.22 -2.88 0.00 0.00 179.24 176.79 1ggj h TYR 242 N -0.42 0.73 -0.32 0.28 5.03 -1.10 -2.25 116.97 118.92 1ggj h TYR 242 Ca -0.04 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1ggj h TYR 242 Cb 0.32 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1ggj h TYR 242 CO -0.05 0.41 0.15 0.28 -1.32 0.00 0.00 178.16 177.63 1ggj h VAL 243 N 0.77 1.16 -0.10 1.81 2.07 -1.12 -1.31 116.25 119.54 1ggj h VAL 243 Ca 0.26 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1ggj h VAL 243 Cb 0.03 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ggj h VAL 243 CO -0.11 0.17 0.08 0.77 0.02 0.00 0.00 177.57 178.51 1ggj h SER 244 N 0.38 0.00 0.02 0.57 4.64 -0.71 -2.39 113.55 116.06 1ggj h SER 244 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ggj h SER 244 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ggj h SER 244 CO -0.01 0.00 -0.55 0.18 -0.87 0.00 0.00 176.83 175.57 1ggj n LEU 245 N -4.21 1.74 -3.54 5.97 4.77 -0.87 -4.69 117.00 116.18 1ggj n LEU 245 Ca -0.01 -0.66 -0.28 0.00 -0.03 0.00 0.00 56.01 55.03 1ggj n LEU 245 Cb 0.19 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1ggj n LEU 245 CO 0.32 0.34 -0.27 -1.10 -1.33 0.00 0.00 177.39 175.34 1ggj s GLN 246 N -2.58 1.06 0.56 3.23 -1.52 -0.54 -4.99 119.66 114.88 1ggj s GLN 246 Ca 0.17 -2.00 0.35 0.00 -1.95 0.00 0.00 55.36 51.93 1ggj s GLN 246 Cb 0.18 -1.82 1.92 0.00 -0.22 0.00 0.00 33.01 33.07 1ggj s GLN 246 CO 0.62 -1.28 2.08 -1.00 -0.25 0.00 0.00 175.29 175.47 1ggj h PRO 247 N 6.24 0.00 0.00 2.91 0.13 -1.84 -2.15 132.00 137.29 1ggj h PRO 247 Ca 0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1ggj h PRO 247 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ggj h PRO 247 CO 0.40 0.00 -0.03 1.05 -0.23 0.00 0.00 178.00 179.19 1ggj h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.88 -2.17 114.58 115.51 1ggj h GLU 248 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ggj h GLU 248 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ggj h GLU 248 CO 0.00 0.03 -0.02 1.79 0.07 0.00 0.00 179.01 180.88 1ggj h THR 249 N 0.00 0.04 -0.69 -1.06 1.35 -1.15 -3.37 112.91 108.03 1ggj h THR 249 Ca -0.00 -0.75 0.09 0.00 -0.55 0.00 0.00 66.41 65.21 1ggj h THR 249 Cb 0.08 1.72 -0.07 0.00 -1.73 0.00 0.00 68.15 68.14 1ggj h THR 249 CO 0.00 0.02 0.33 -0.07 -0.25 0.00 0.00 175.52 175.55 1ggj h LEU 250 N 0.00 0.41 0.06 3.87 3.38 -1.58 -1.27 115.31 120.18 1ggj h LEU 250 Ca -0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ggj h LEU 250 Cb 0.72 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ggj h LEU 250 CO 0.00 0.23 -0.32 -0.74 0.09 0.00 0.00 178.44 177.71 1ggj h HIS 251 N 0.56 -0.87 0.00 1.13 2.76 -1.80 0.11 115.15 117.03 1ggj h HIS 251 Ca 0.34 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.47 1ggj h HIS 251 Cb 0.37 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 1ggj h HIS 251 CO -0.12 -0.42 -0.32 -0.97 -1.30 0.00 0.00 177.93 174.80 1ggj h ASN 252 N -0.51 0.00 -0.52 3.26 -0.00 -1.72 -2.02 115.58 114.08 1ggj h ASN 252 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1ggj h ASN 252 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.86 1ggj h ASN 252 CO -0.22 0.32 0.27 0.58 -0.00 0.00 0.00 177.43 178.38 1ggj h VAL 253 N 0.00 1.19 -0.43 2.57 2.07 -0.37 -1.29 116.25 119.99 1ggj h VAL 253 Ca -0.00 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.06 1ggj h VAL 253 Cb 0.61 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1ggj h VAL 253 CO 0.04 0.21 0.16 0.24 0.02 0.00 0.00 177.57 178.24 1ggj h MET 254 N 0.70 0.32 -0.63 1.57 2.86 -0.08 -0.97 114.93 118.70 1ggj h MET 254 Ca 0.18 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1ggj h MET 254 Cb 0.08 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1ggj h MET 254 CO -0.03 0.21 0.40 -1.49 1.06 0.00 0.00 176.91 177.06 1ggj h TRP 255 N 0.33 0.75 0.00 -0.22 4.06 -1.20 -2.29 115.95 117.37 1ggj h TRP 255 Ca 0.20 0.02 -0.05 0.00 2.06 0.00 0.00 58.89 61.12 1ggj h TRP 255 Cb 0.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 1ggj h TRP 255 CO -0.15 0.44 -0.23 0.00 -3.56 0.00 0.00 178.44 174.95 1ggj h ALA 256 N 1.26 1.55 0.00 1.49 0.00 -0.58 -2.43 119.26 120.55 1ggj h ALA 256 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ggj h ALA 256 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ggj h ALA 256 CO -0.09 0.28 -0.41 -1.33 0.00 0.00 0.00 179.25 177.71 1ggj n MET 257 N -4.16 0.25 -2.02 0.00 2.81 -0.43 -4.07 117.12 109.49 1ggj n MET 257 Ca -0.02 0.12 -0.28 0.00 -1.81 0.00 0.00 57.70 55.70 1ggj n MET 257 Cb 0.29 -1.70 0.14 0.00 -0.71 0.00 0.00 33.22 31.23 1ggj n MET 257 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1ggj s SER 258 N -4.18 3.86 0.00 7.83 1.04 -0.89 -3.95 113.70 117.41 1ggj s SER 258 Ca 0.08 0.37 0.09 0.00 0.48 0.00 0.00 55.95 56.97 1ggj s SER 258 Cb 0.14 -0.66 0.43 0.00 0.10 0.00 0.00 66.02 66.03 1ggj s SER 258 CO 0.67 -2.26 1.18 0.47 0.98 0.00 0.00 173.24 174.28 1ggj n ASP 259 N -3.43 0.00 0.10 7.02 10.43 -1.26 -1.78 116.55 127.63 1ggj n ASP 259 Ca 0.12 0.22 0.03 0.00 2.57 0.00 0.00 54.79 57.73 1ggj n ASP 259 Cb 0.60 -0.32 0.42 0.00 1.84 0.00 0.00 41.12 43.66 1ggj n ASP 259 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 1ggj h ARG 260 N 0.00 0.29 0.00 -1.24 2.47 -1.89 -1.84 114.38 112.17 1ggj h ARG 260 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ggj h ARG 260 Cb 0.09 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1ggj h ARG 260 CO 0.00 0.34 0.00 0.41 0.56 0.00 0.00 179.97 181.28 1ggj n GLY 261 N -1.08 -1.09 2.24 0.04 0.00 -0.74 -4.03 105.19 100.55 1ggj n GLY 261 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 1ggj n GLY 261 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ggj n ILE 262 N -1.45 0.00 -1.78 -0.61 -5.35 -0.69 -1.74 119.36 107.74 1ggj n ILE 262 Ca 0.06 -4.30 -0.39 0.00 -0.27 0.00 0.00 62.75 57.85 1ggj n ILE 262 Cb 0.20 -1.95 0.02 0.00 -1.74 0.00 0.00 39.64 36.17 1ggj n ILE 262 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ggj s PRO 263 N -1.50 3.52 0.21 6.28 0.04 -1.26 -0.95 135.00 141.35 1ggj s PRO 263 Ca 0.36 2.39 -0.08 0.00 0.04 0.00 0.00 61.00 63.71 1ggj s PRO 263 Cb 0.17 -2.54 0.15 0.00 0.04 0.00 0.00 34.50 32.32 1ggj s PRO 263 CO -0.09 -0.94 1.76 -0.09 0.04 0.00 0.00 177.00 177.69 1ggj h ARG 264 N 2.07 1.18 -2.55 4.56 9.65 -1.69 -3.40 114.38 124.21 1ggj h ARG 264 Ca -0.51 -0.24 0.07 0.00 -1.10 0.00 0.00 59.98 58.20 1ggj h ARG 264 Cb 1.28 -0.18 -0.14 0.00 -1.39 0.00 0.00 29.97 29.54 1ggj h ARG 264 CO 0.60 0.98 0.39 0.45 2.80 0.00 0.00 179.97 185.19 1ggj s SER 265 N -6.39 -0.43 0.52 -3.80 0.15 -1.26 -4.92 113.70 97.57 1ggj s SER 265 Ca -0.12 -0.03 0.27 0.00 0.70 0.00 0.00 55.95 56.77 1ggj s SER 265 Cb 0.15 0.47 1.43 0.00 -1.71 0.00 0.00 66.02 66.37 1ggj s SER 265 CO 0.84 -0.77 2.07 1.88 1.20 0.00 0.00 173.24 178.46 1ggj h TYR 266 N 2.00 0.00 0.00 3.44 0.05 -1.89 -1.67 116.97 118.91 1ggj h TYR 266 Ca -0.26 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.45 1ggj h TYR 266 Cb 1.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1ggj h TYR 266 CO 0.26 0.12 -0.30 0.00 -1.05 0.00 0.00 178.16 177.18 1ggj h ARG 267 N 0.00 0.00 -0.89 4.88 3.08 -1.95 -3.32 114.38 116.17 1ggj h ARG 267 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ggj h ARG 267 Cb 0.34 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.01 1ggj h ARG 267 CO 0.02 0.30 -0.22 0.25 -1.07 0.00 0.00 179.97 179.25 1ggj n THR 268 N -3.60 2.91 -4.26 2.04 -2.24 -0.63 -4.41 114.28 104.09 1ggj n THR 268 Ca -0.01 -3.83 -0.15 0.00 -2.27 0.00 0.00 64.05 57.80 1ggj n THR 268 Cb 0.43 -1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 1ggj n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggj s MET 269 N -3.68 1.13 0.52 -0.78 0.23 -1.24 -1.06 119.30 114.41 1ggj s MET 269 Ca 0.55 -1.51 -0.03 0.00 -1.03 0.00 0.00 55.69 53.67 1ggj s MET 269 Cb 0.44 -0.55 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 1ggj s MET 269 CO 0.00 -0.00 0.78 -1.21 -2.03 0.00 0.00 175.02 172.56 1ggj s GLU 270 N -3.81 3.01 -0.01 3.16 2.02 -1.26 -4.29 118.70 117.53 1ggj s GLU 270 Ca 0.20 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.00 1ggj s GLU 270 Cb 0.04 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.84 1ggj s GLU 270 CO 0.03 -0.47 -0.14 0.20 0.02 0.00 0.00 175.26 174.89 1ggj s GLY 271 N -4.25 0.71 0.02 -1.39 0.00 -0.57 -3.99 107.32 97.85 1ggj s GLY 271 Ca 0.51 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1ggj s GLY 271 CO 0.42 -0.52 -0.03 -1.36 0.00 0.00 0.00 173.10 171.60 1ggj s PHE 272 N -0.35 0.31 -0.46 1.90 0.08 0.53 0.06 117.98 120.04 1ggj s PHE 272 Ca 0.05 -0.54 0.23 0.00 0.12 0.00 0.00 56.93 56.79 1ggj s PHE 272 Cb -0.06 -0.22 0.21 0.00 -0.57 0.00 0.00 43.02 42.39 1ggj s PHE 272 CO -0.01 -0.19 1.23 0.78 -0.10 0.00 0.00 175.22 176.94 1ggj h GLY 273 N 4.59 0.00 0.00 4.36 0.00 -1.52 -1.78 103.07 108.72 1ggj h GLY 273 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ggj h GLY 273 CO 0.42 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.35 1ggj n ILE 274 N -2.42 0.00 -2.44 2.60 5.41 -1.26 -4.82 119.36 116.43 1ggj n ILE 274 Ca 0.02 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.43 1ggj n ILE 274 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.40 1ggj n ILE 274 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1ggj s HIS 275 N 0.00 2.88 -0.18 1.39 3.76 -1.26 -4.88 115.29 117.00 1ggj s HIS 275 Ca 0.00 1.56 -0.29 0.00 -0.15 0.00 0.00 55.06 56.18 1ggj s HIS 275 Cb 0.00 -3.14 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 1ggj s HIS 275 CO 0.00 -1.09 1.16 0.99 -0.85 0.00 0.00 174.74 174.95 1ggj s THR 276 N -1.92 4.46 0.00 1.30 2.01 -1.26 -4.57 115.64 115.66 1ggj s THR 276 Ca 0.69 1.77 0.00 0.00 0.31 0.00 0.00 61.69 64.46 1ggj s THR 276 Cb -0.19 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1ggj s THR 276 CO 0.23 -0.14 0.00 0.49 -0.69 0.00 0.00 174.62 174.51 1ggj n PHE 277 N 6.33 -0.80 -4.21 4.92 3.72 0.75 -4.31 117.46 123.86 1ggj n PHE 277 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.35 1ggj n PHE 277 Cb 0.46 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.87 1ggj n PHE 277 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ggj s ARG 278 N 0.03 0.74 -0.13 -1.08 0.52 -0.14 -1.06 118.95 117.84 1ggj s ARG 278 Ca 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 1ggj s ARG 278 Cb 0.00 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1ggj s ARG 278 CO 0.00 0.16 0.02 -0.51 0.02 0.00 0.00 175.30 174.99 1ggj s LEU 279 N -1.25 3.63 -0.14 2.53 1.43 0.41 -0.80 118.68 124.48 1ggj s LEU 279 Ca -0.02 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1ggj s LEU 279 Cb -0.08 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.29 1ggj s LEU 279 CO 0.01 0.28 -0.17 -0.63 0.23 0.00 0.00 176.35 176.08 1ggj s ILE 280 N -0.30 1.71 0.40 -0.59 -1.09 -0.07 -1.01 121.20 120.24 1ggj s ILE 280 Ca 0.07 -0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 57.74 1ggj s ILE 280 Cb -0.12 -1.56 0.08 0.00 -1.58 0.00 0.00 42.46 39.27 1ggj s ILE 280 CO 0.02 0.48 0.55 -0.46 -1.23 0.00 0.00 174.94 174.30 1ggj n ASN 281 N 4.49 0.67 0.18 3.58 0.23 -0.95 -0.28 115.26 123.17 1ggj n ASN 281 Ca -0.19 -1.58 0.02 0.00 -0.53 0.00 0.00 54.58 52.30 1ggj n ASN 281 Cb 0.51 -0.36 0.32 0.00 -2.08 0.00 0.00 39.78 38.16 1ggj n ASN 281 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ggj h ALA 282 N -0.64 1.27 0.00 -2.53 0.00 -1.87 -2.36 119.26 113.14 1ggj h ALA 282 Ca -0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1ggj h ALA 282 Cb 0.65 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ggj h ALA 282 CO 0.19 0.53 -0.29 0.93 0.00 0.00 0.00 179.25 180.61 1ggj h GLU 283 N 0.00 0.00 0.00 0.00 5.08 -1.94 -3.45 114.58 114.27 1ggj h GLU 283 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ggj h GLU 283 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ggj h GLU 283 CO 0.06 0.29 0.00 0.41 -1.00 0.00 0.00 179.01 178.77 1ggj n GLY 284 N 0.23 1.49 3.81 -3.84 0.00 -0.89 -5.08 105.19 100.91 1ggj n GLY 284 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ggj n GLY 284 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggj s LYS 285 N -0.69 4.16 -0.15 1.61 2.20 -1.26 -4.86 119.74 120.76 1ggj s LYS 285 Ca 0.00 0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 56.19 1ggj s LYS 285 Cb 0.00 -3.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1ggj s LYS 285 CO 0.00 0.60 0.15 0.00 -0.36 0.00 0.00 175.35 175.74 1ggj s ALA 286 N -0.94 3.80 -0.05 3.13 0.00 -1.26 -2.25 121.76 124.18 1ggj s ALA 286 Ca 0.28 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.65 1ggj s ALA 286 Cb -0.19 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ggj s ALA 286 CO 0.17 0.43 -0.20 0.99 0.00 0.00 0.00 175.76 177.16 1ggj s THR 287 N -0.48 1.65 0.21 0.00 2.01 -0.18 -4.23 115.64 114.62 1ggj s THR 287 Ca 0.13 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1ggj s THR 287 Cb -0.12 -1.41 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 1ggj s THR 287 CO 0.02 0.47 1.03 -0.36 -0.69 0.00 0.00 174.62 175.09 1ggj s PHE 288 N 0.04 3.75 0.01 4.92 0.08 -0.32 -0.44 117.98 126.02 1ggj s PHE 288 Ca -0.06 1.76 0.00 0.00 0.12 0.00 0.00 56.93 58.75 1ggj s PHE 288 Cb -0.13 -3.15 -0.01 0.00 -0.57 0.00 0.00 43.02 39.16 1ggj s PHE 288 CO 0.03 -0.12 -0.02 0.54 -0.10 0.00 0.00 175.22 175.55 1ggj s VAL 289 N -0.72 0.09 -0.06 -0.44 0.11 -0.22 -1.09 120.40 118.08 1ggj s VAL 289 Ca 0.45 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.90 1ggj s VAL 289 Cb -0.28 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1ggj s VAL 289 CO 0.35 -0.35 -0.17 -0.13 -3.33 0.00 0.00 175.10 171.47 1ggj s ARG 290 N -1.03 1.95 0.13 1.54 0.52 -0.73 -0.18 118.95 121.15 1ggj s ARG 290 Ca -0.11 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.35 1ggj s ARG 290 Cb -0.07 -1.63 -0.07 0.00 0.52 0.00 0.00 34.95 33.70 1ggj s ARG 290 CO -0.01 0.19 0.53 -0.06 0.02 0.00 0.00 175.30 175.97 1ggj s PHE 291 N 0.21 3.62 0.01 -0.53 0.08 -1.26 -0.89 117.98 119.22 1ggj s PHE 291 Ca -0.08 1.04 0.01 0.00 0.12 0.00 0.00 56.93 58.02 1ggj s PHE 291 Cb -0.13 -2.35 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 1ggj s PHE 291 CO 0.03 0.46 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.57 1ggj s HIS 292 N -1.41 0.31 -0.21 0.36 3.76 -0.34 -1.39 115.29 116.37 1ggj s HIS 292 Ca 0.36 -0.18 0.01 0.00 -0.15 0.00 0.00 55.06 55.10 1ggj s HIS 292 Cb -0.15 -0.20 0.03 0.00 1.11 0.00 0.00 32.58 33.37 1ggj s HIS 292 CO 0.19 -0.04 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.30 1ggj s TRP 293 N -0.44 2.94 -0.24 1.40 0.52 0.11 -0.03 118.94 123.20 1ggj s TRP 293 Ca -0.03 -1.77 -0.08 0.00 0.02 0.00 0.00 56.10 54.24 1ggj s TRP 293 Cb -0.04 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1ggj s TRP 293 CO -0.00 -0.81 0.09 0.21 0.02 0.00 0.00 176.95 176.47 1ggj s LYS 294 N 1.26 3.80 -0.19 4.98 2.20 0.70 -1.51 119.74 130.97 1ggj s LYS 294 Ca 0.01 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 1ggj s LYS 294 Cb -0.15 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1ggj s LYS 294 CO -0.10 -0.08 1.45 -1.25 -0.36 0.00 0.00 175.35 175.01 1ggj s PRO 295 N 1.35 4.03 0.25 4.03 0.04 -1.26 0.30 135.00 143.74 1ggj s PRO 295 Ca 0.06 1.67 0.25 0.00 0.04 0.00 0.00 61.00 63.01 1ggj s PRO 295 Cb -0.15 -3.91 0.93 0.00 0.04 0.00 0.00 34.50 31.41 1ggj s PRO 295 CO 0.05 -0.99 1.74 1.28 0.04 0.00 0.00 177.00 179.11 1ggj n LEU 296 N 7.46 0.74 -0.02 -3.56 4.77 -0.54 -1.45 117.00 124.41 1ggj n LEU 296 Ca 0.16 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.93 1ggj n LEU 296 Cb 0.45 -0.48 0.75 0.00 -2.33 0.00 0.00 43.42 41.80 1ggj n LEU 296 CO 0.61 -0.43 1.00 0.00 -1.33 0.00 0.00 177.39 177.24 1ggj n ALA 297 N -1.79 2.55 0.00 -1.18 0.00 -1.26 -4.91 120.51 113.93 1ggj n ALA 297 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ggj n ALA 297 Cb 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1ggj n ALA 297 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggj n GLY 298 N 1.26 -0.56 3.76 0.00 0.00 -0.53 -3.53 105.19 105.60 1ggj n GLY 298 Ca 0.15 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1ggj n GLY 298 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ggj s LYS 299 N -1.61 4.07 -0.22 1.61 1.02 -1.26 -4.21 119.74 119.13 1ggj s LYS 299 Ca 0.00 -0.04 -0.20 0.00 0.02 0.00 0.00 55.97 55.75 1ggj s LYS 299 Cb 0.00 -3.37 0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1ggj s LYS 299 CO 0.00 0.39 0.58 0.00 -0.92 0.00 0.00 175.35 175.40 1ggj s ALA 300 N 0.06 -1.44 0.12 5.17 0.00 -0.22 -4.83 121.76 120.61 1ggj s ALA 300 Ca 0.14 1.66 0.04 0.00 0.00 0.00 0.00 51.96 53.80 1ggj s ALA 300 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1ggj s ALA 300 CO 0.02 -0.28 -0.10 -1.12 0.00 0.00 0.00 175.76 174.29 1ggj s SER 301 N 0.38 1.54 1.05 0.00 0.01 -1.26 -2.11 113.70 113.30 1ggj s SER 301 Ca -0.01 -0.93 -0.09 0.00 1.31 0.00 0.00 55.95 56.24 1ggj s SER 301 Cb -0.04 0.02 0.12 0.00 0.21 0.00 0.00 66.02 66.33 1ggj s SER 301 CO -0.00 -0.33 0.59 0.18 0.41 0.00 0.00 173.24 174.09 1ggj n LEU 302 N 0.15 0.00 -4.55 2.44 4.77 -0.12 -4.64 117.00 115.04 1ggj n LEU 302 Ca -0.13 -0.64 -0.30 0.00 -0.03 0.00 0.00 56.01 54.91 1ggj n LEU 302 Cb 0.59 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1ggj n LEU 302 CO 0.29 -1.20 -0.44 0.68 -1.33 0.00 0.00 177.39 175.40 1ggj s VAL 303 N -2.21 3.24 0.19 4.08 -7.23 -1.26 -4.92 120.40 112.29 1ggj s VAL 303 Ca 0.35 -1.31 -0.19 0.00 -1.81 0.00 0.00 61.98 59.02 1ggj s VAL 303 Cb -0.02 -2.50 0.14 0.00 0.56 0.00 0.00 36.38 34.56 1ggj s VAL 303 CO 0.26 0.12 1.60 -0.25 -0.31 0.00 0.00 175.10 176.52 1ggj h TRP 304 N 3.68 -0.74 -0.97 2.82 2.91 -1.97 -1.05 115.95 120.64 1ggj h TRP 304 Ca -0.49 0.06 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1ggj h TRP 304 Cb 1.17 0.40 -0.06 0.00 -0.51 0.00 0.00 29.16 30.17 1ggj h TRP 304 CO 0.60 -0.35 0.63 0.22 -1.03 0.00 0.00 178.44 178.51 1ggj h ASP 305 N -0.14 1.06 -0.54 2.65 1.82 -1.99 -0.23 116.42 119.05 1ggj h ASP 305 Ca 0.24 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1ggj h ASP 305 Cb 0.52 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 1ggj h ASP 305 CO -0.63 0.73 0.09 -0.08 -1.61 0.00 0.00 179.24 177.74 1ggj h GLU 306 N 1.23 0.90 -0.15 0.28 4.81 -1.82 -1.47 114.58 118.37 1ggj h GLU 306 Ca 0.38 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1ggj h GLU 306 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1ggj h GLU 306 CO -0.12 0.87 0.08 0.00 -0.73 0.00 0.00 179.01 179.11 1ggj h ALA 307 N 0.99 0.19 -0.56 2.92 0.00 -0.46 0.03 119.26 122.37 1ggj h ALA 307 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ggj h ALA 307 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ggj h ALA 307 CO 0.01 -0.27 0.05 0.37 0.00 0.00 0.00 179.25 179.41 1ggj h GLN 308 N 0.13 0.95 0.00 0.00 4.15 -0.98 -1.92 115.11 117.43 1ggj h GLN 308 Ca 0.05 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.11 1ggj h GLN 308 Cb 0.09 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1ggj h GLN 308 CO -0.01 0.93 -0.42 -0.22 -1.93 0.00 0.00 178.83 177.19 1ggj h LYS 309 N 0.83 0.00 0.00 1.69 3.64 -1.15 -2.12 116.57 119.46 1ggj h LYS 309 Ca 0.16 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1ggj h LYS 309 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ggj h LYS 309 CO 0.02 0.42 -0.45 1.25 -2.27 0.00 0.00 179.45 178.42 1ggj h LEU 310 N 0.00 0.00 -1.56 5.20 5.85 -0.58 -0.69 115.31 123.53 1ggj h LEU 310 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ggj h LEU 310 Cb 0.91 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1ggj h LEU 310 CO 0.05 0.45 0.15 0.71 -0.34 0.00 0.00 178.44 179.46 1ggj h THR 311 N 0.00 1.12 0.16 1.05 1.35 -0.64 0.01 112.91 115.96 1ggj h THR 311 Ca -0.00 -0.33 -0.32 0.00 -0.55 0.00 0.00 66.41 65.20 1ggj h THR 311 Cb 0.81 0.72 0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1ggj h THR 311 CO 0.06 0.13 -1.60 1.23 -0.25 0.00 0.00 175.52 175.09 1ggj h GLY 312 N 0.56 0.39 1.56 5.82 0.00 -1.42 -3.21 103.07 106.77 1ggj h GLY 312 Ca 0.11 -1.01 -0.17 0.00 0.00 0.00 0.00 47.33 46.27 1ggj h GLY 312 CO -0.02 0.88 -0.65 3.21 0.00 0.00 0.00 176.54 179.97 1ggj h ARG 313 N -0.05 0.45 -1.35 4.80 2.47 -1.01 -3.41 114.38 116.26 1ggj h ARG 313 Ca -0.32 -0.32 -0.19 0.00 -1.26 0.00 0.00 59.98 57.88 1ggj h ARG 313 Cb 1.97 0.06 -0.23 0.00 -1.65 0.00 0.00 29.97 30.11 1ggj h ARG 313 CO 0.14 0.95 -0.55 0.34 0.56 0.00 0.00 179.97 181.40 1ggj s ASP 314 N -6.95 -0.56 0.16 7.04 2.15 -0.02 -4.99 116.67 113.49 1ggj s ASP 314 Ca -0.06 -1.29 0.14 0.00 0.43 0.00 0.00 52.55 51.77 1ggj s ASP 314 Cb 0.11 1.41 0.66 0.00 -0.30 0.00 0.00 42.92 44.81 1ggj s ASP 314 CO 0.84 -0.18 1.42 -0.81 -0.17 0.00 0.00 175.17 176.27 1ggj n PRO 315 N 4.05 0.08 -0.65 4.34 -0.04 -1.21 -1.72 135.00 139.86 1ggj n PRO 315 Ca 0.13 0.50 0.06 0.00 -0.04 0.00 0.00 63.50 64.15 1ggj n PRO 315 Cb 0.53 -1.72 0.30 0.00 -0.04 0.00 0.00 33.50 32.56 1ggj n PRO 315 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ggj n ASP 316 N -1.89 4.34 -0.12 3.54 8.00 -1.26 -0.66 116.55 128.50 1ggj n ASP 316 Ca 0.00 -3.08 -0.04 0.00 0.71 0.00 0.00 54.79 52.38 1ggj n ASP 316 Cb 0.07 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.60 1ggj n ASP 316 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ggj h PHE 317 N 2.36 0.06 -0.27 1.24 3.04 -1.68 0.31 116.94 122.01 1ggj h PHE 317 Ca 0.05 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.87 1ggj h PHE 317 Cb 1.70 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 40.24 1ggj h PHE 317 CO 0.77 -0.03 -0.43 0.45 -2.02 0.00 0.00 178.31 177.05 1ggj h HIS 318 N 0.16 0.95 -0.60 0.41 3.86 -1.87 -1.07 115.15 116.99 1ggj h HIS 318 Ca 0.20 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1ggj h HIS 318 Cb 0.27 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1ggj h HIS 318 CO -0.24 1.11 0.33 -0.09 0.86 0.00 0.00 177.93 179.91 1ggj h ARG 319 N 0.51 0.83 -0.35 2.45 2.43 -1.81 -1.19 114.38 117.25 1ggj h ARG 319 Ca 0.02 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ggj h ARG 319 Cb 1.03 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1ggj h ARG 319 CO 0.10 0.63 0.06 -0.09 -1.51 0.00 0.00 179.97 179.16 1ggj h ARG 320 N 0.81 0.57 -0.49 0.20 2.43 -0.34 -2.07 114.38 115.49 1ggj h ARG 320 Ca 0.21 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ggj h ARG 320 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1ggj h ARG 320 CO -0.03 0.64 0.31 1.49 -1.51 0.00 0.00 179.97 180.86 1ggj h GLU 321 N 0.41 0.65 0.22 0.20 4.57 -1.07 0.23 114.58 119.79 1ggj h GLU 321 Ca 0.11 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1ggj h GLU 321 Cb 0.34 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1ggj h GLU 321 CO 0.01 0.45 -0.10 1.25 -1.18 0.00 0.00 179.01 179.44 1ggj h LEU 322 N 0.66 -0.25 -0.42 1.64 5.85 -1.17 -0.88 115.31 120.74 1ggj h LEU 322 Ca 0.18 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1ggj h LEU 322 Cb -0.04 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1ggj h LEU 322 CO -0.04 -0.04 0.18 -0.25 -0.34 0.00 0.00 178.44 177.96 1ggj h TRP 323 N -0.45 0.33 0.00 1.25 2.91 -1.15 -2.47 115.95 116.37 1ggj h TRP 323 Ca -0.03 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 59.92 1ggj h TRP 323 Cb 0.34 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 1ggj h TRP 323 CO -0.02 0.15 -0.43 0.93 -1.03 0.00 0.00 178.44 178.04 1ggj h GLU 324 N 0.37 0.00 -0.27 2.65 5.08 -0.47 -2.06 114.58 119.89 1ggj h GLU 324 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 1ggj h GLU 324 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1ggj h GLU 324 CO -0.16 0.43 -0.31 0.00 -1.00 0.00 0.00 179.01 177.98 1ggj h ALA 325 N 1.57 0.40 -0.36 3.43 0.00 -0.83 -1.41 119.26 122.06 1ggj h ALA 325 Ca -0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1ggj h ALA 325 Cb 0.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1ggj h ALA 325 CO 0.06 0.43 -0.14 0.82 0.00 0.00 0.00 179.25 180.42 1ggj h ILE 326 N 0.42 1.25 0.00 0.00 2.04 -1.36 0.42 117.51 120.28 1ggj h ILE 326 Ca 0.04 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.66 1ggj h ILE 326 Cb 0.88 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1ggj h ILE 326 CO 0.07 0.38 -0.44 -0.33 0.00 0.00 0.00 178.15 177.83 1ggj h GLU 327 N 0.58 0.00 -0.00 2.37 5.08 -1.22 -2.81 114.58 118.58 1ggj h GLU 327 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ggj h GLU 327 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ggj h GLU 327 CO 0.04 0.44 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 1ggj n ALA 328 N -2.34 3.09 -0.69 3.43 0.00 -0.54 -1.95 120.51 121.50 1ggj n ALA 328 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1ggj n ALA 328 Cb 0.53 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1ggj n ALA 328 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ggj n GLY 329 N 1.41 0.61 2.57 0.00 0.00 -0.73 -4.55 105.19 104.51 1ggj n GLY 329 Ca 0.09 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1ggj n GLY 329 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggj n ASP 330 N 0.66 7.29 -4.67 1.61 10.43 0.14 -4.99 116.55 127.02 1ggj n ASP 330 Ca 0.00 -3.35 -0.52 0.00 2.57 0.00 0.00 54.79 53.49 1ggj n ASP 330 Cb 0.00 -1.24 -0.06 0.00 1.84 0.00 0.00 41.12 41.66 1ggj n ASP 330 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ggj n PHE 331 N 0.80 2.07 -1.68 1.24 0.99 -1.25 -4.41 117.46 115.21 1ggj n PHE 331 Ca 0.54 0.35 -0.46 0.00 -0.00 0.00 0.00 57.45 57.88 1ggj n PHE 331 Cb 0.36 -2.51 -0.04 0.00 -1.00 0.00 0.00 39.48 36.29 1ggj n PHE 331 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1ggj n PRO 332 N 4.89 2.28 -4.69 -1.08 -0.02 -1.24 -4.79 135.00 130.35 1ggj n PRO 332 Ca 0.22 0.83 -0.25 0.00 -2.02 0.00 0.00 63.50 62.28 1ggj n PRO 332 Cb 0.22 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 30.88 1ggj n PRO 332 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ggj s GLU 333 N 2.48 1.73 0.01 -0.52 2.02 -1.26 -0.85 118.70 122.32 1ggj s GLU 333 Ca 0.85 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 55.39 1ggj s GLU 333 Cb -0.65 -1.46 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1ggj s GLU 333 CO 0.43 0.12 -0.15 0.71 0.02 0.00 0.00 175.26 176.39 1ggj s TYR 334 N 0.38 1.36 -0.26 1.61 2.02 -0.20 -1.46 117.35 120.79 1ggj s TYR 334 Ca -0.10 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 1ggj s TYR 334 Cb -0.14 -0.84 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 1ggj s TYR 334 CO 0.03 0.01 0.16 -2.00 -1.57 0.00 0.00 175.55 172.18 1ggj s GLU 335 N -0.69 3.93 0.09 -0.62 2.12 0.15 -0.59 118.70 123.08 1ggj s GLU 335 Ca 0.05 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 1ggj s GLU 335 Cb -0.07 -3.56 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 1ggj s GLU 335 CO 0.00 -0.11 1.25 -1.17 -0.54 0.00 0.00 175.26 174.69 1ggj s LEU 336 N 1.54 4.38 0.06 2.70 2.96 -0.14 -0.22 118.68 129.95 1ggj s LEU 336 Ca 0.07 2.12 0.04 0.00 -0.22 0.00 0.00 54.13 56.14 1ggj s LEU 336 Cb -0.15 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 1ggj s LEU 336 CO 0.08 -0.52 -0.12 -0.83 -1.32 0.00 0.00 176.35 173.65 1ggj s GLY 337 N 1.01 0.71 -0.06 7.98 0.00 0.96 -0.35 107.32 117.57 1ggj s GLY 337 Ca 0.60 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 44.48 1ggj s GLY 337 CO 0.30 -0.93 -0.23 -1.36 0.00 0.00 0.00 173.10 170.88 1ggj s PHE 338 N -1.30 2.28 -0.33 1.90 2.99 0.30 -1.20 117.98 122.62 1ggj s PHE 338 Ca -0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 56.93 56.04 1ggj s PHE 338 Cb -0.10 -1.51 -0.02 0.00 0.00 0.00 0.00 43.02 41.40 1ggj s PHE 338 CO 0.01 -0.23 0.29 -0.65 -0.00 0.00 0.00 175.22 174.65 1ggj s GLN 339 N -0.06 3.59 -0.18 0.44 -0.21 -0.07 -0.33 119.66 122.85 1ggj s GLN 339 Ca -0.05 -0.49 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1ggj s GLN 339 Cb -0.14 -3.79 -0.03 0.00 1.00 0.00 0.00 33.01 30.06 1ggj s GLN 339 CO 0.04 -0.44 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.25 1ggj s LEU 340 N 1.86 3.34 -0.11 2.90 1.43 -1.26 -1.77 118.68 125.08 1ggj s LEU 340 Ca 0.09 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1ggj s LEU 340 Cb -0.17 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.24 1ggj s LEU 340 CO 0.11 0.13 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 1ggj s ILE 341 N 0.62 1.25 0.51 -0.59 1.09 -0.25 -4.97 121.20 118.86 1ggj s ILE 341 Ca -0.01 -0.46 -0.22 0.00 -1.10 0.00 0.00 60.65 58.85 1ggj s ILE 341 Cb -0.14 -1.19 -0.07 0.00 -1.06 0.00 0.00 42.46 40.00 1ggj s ILE 341 CO 0.02 0.40 1.18 -2.65 -0.10 0.00 0.00 174.94 173.79 1ggj n PRO 342 N 4.52 1.51 -0.22 2.79 -0.02 -1.26 -1.17 135.00 141.14 1ggj n PRO 342 Ca -0.17 0.55 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1ggj n PRO 342 Cb 0.51 -2.34 0.38 0.00 -0.02 0.00 0.00 33.50 32.02 1ggj n PRO 342 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ggj h GLU 343 N 1.40 0.67 0.00 -0.52 4.81 -1.95 -0.86 114.58 118.13 1ggj h GLU 343 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1ggj h GLU 343 Cb 1.32 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ggj h GLU 343 CO 0.56 0.45 0.00 0.93 -0.73 0.00 0.00 179.01 180.22 1ggj h GLU 344 N 0.69 0.00 -0.49 1.92 3.07 -1.94 -2.91 114.58 114.93 1ggj h GLU 344 Ca 0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.24 1ggj h GLU 344 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1ggj h GLU 344 CO -0.15 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.21 1ggj n ASP 345 N -2.79 2.59 -0.23 1.42 9.92 -0.33 -4.64 116.55 122.49 1ggj n ASP 345 Ca 0.00 -2.01 0.04 0.00 -0.53 0.00 0.00 54.79 52.29 1ggj n ASP 345 Cb 0.23 -0.33 0.14 0.00 -0.64 0.00 0.00 41.12 40.53 1ggj n ASP 345 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ggj h GLU 346 N 2.80 0.16 -0.76 -1.24 4.81 -1.61 -1.63 114.58 117.11 1ggj h GLU 346 Ca 0.00 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 1ggj h GLU 346 Cb 0.66 -0.04 -0.19 0.00 0.63 0.00 0.00 28.75 29.81 1ggj h GLU 346 CO 0.00 0.11 0.36 1.19 -0.73 0.00 0.00 179.01 179.94 1ggj n PHE 347 N -5.25 2.42 1.37 0.92 3.01 -1.26 -4.45 117.46 114.21 1ggj n PHE 347 Ca 0.12 -1.51 0.13 0.00 1.01 0.00 0.00 57.45 57.21 1ggj n PHE 347 Cb 0.42 -0.74 0.43 0.00 -0.01 0.00 0.00 39.48 39.57 1ggj n PHE 347 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ggj n LYS 348 N -0.72 1.52 -3.84 -1.08 5.02 -0.62 -4.90 118.16 113.54 1ggj n LYS 348 Ca 0.46 -0.95 -0.21 0.00 -2.02 0.00 0.00 58.31 55.59 1ggj n LYS 348 Cb 1.43 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.92 1ggj n LYS 348 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ggj s PHE 349 N -2.14 3.00 -1.23 2.13 0.40 -1.26 -5.00 117.98 113.88 1ggj s PHE 349 Ca 0.33 -0.23 0.09 0.00 -0.60 0.00 0.00 56.93 56.51 1ggj s PHE 349 Cb 0.20 -1.72 0.36 0.00 0.51 0.00 0.00 43.02 42.37 1ggj s PHE 349 CO 0.38 0.25 1.17 -0.40 0.70 0.00 0.00 175.22 177.32 1ggj n ASP 350 N -1.37 2.68 -4.16 1.36 5.68 -1.26 -4.74 116.55 114.73 1ggj n ASP 350 Ca -0.03 -2.25 -0.13 0.00 -0.50 0.00 0.00 54.79 51.87 1ggj n ASP 350 Cb 0.59 -0.44 -0.11 0.00 -1.14 0.00 0.00 41.12 40.03 1ggj n ASP 350 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1ggj s PHE 351 N -1.71 0.98 0.05 2.11 -0.12 -1.26 -5.03 117.98 113.01 1ggj s PHE 351 Ca 0.25 -0.71 -0.30 0.00 -0.05 0.00 0.00 56.93 56.12 1ggj s PHE 351 Cb 0.17 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1ggj s PHE 351 CO 0.11 -0.05 1.00 0.34 -0.05 0.00 0.00 175.22 176.58 1ggj s ASP 352 N -2.55 7.38 0.49 1.98 3.68 -1.26 -4.93 116.67 121.46 1ggj s ASP 352 Ca 0.06 1.76 0.22 0.00 2.13 0.00 0.00 52.55 56.72 1ggj s ASP 352 Cb -0.01 -2.58 1.25 0.00 -1.45 0.00 0.00 42.92 40.13 1ggj s ASP 352 CO -0.01 -0.22 2.03 -0.07 0.13 0.00 0.00 175.17 177.03 1ggj h LEU 353 N 6.30 0.00 -0.34 -1.34 3.38 -1.96 -2.67 115.31 118.69 1ggj h LEU 353 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1ggj h LEU 353 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ggj h LEU 353 CO 0.74 0.16 -0.07 0.18 0.09 0.00 0.00 178.44 179.54 1ggj n LEU 354 N -3.92 0.59 -4.59 1.67 4.77 -1.26 -4.43 117.00 109.83 1ggj n LEU 354 Ca -0.02 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 1ggj n LEU 354 Cb 0.25 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1ggj n LEU 354 CO 0.33 0.10 0.70 -0.62 -1.33 0.00 0.00 177.39 176.57 1ggj s ASP 355 N -2.29 6.59 0.00 -1.43 3.68 -1.01 -4.32 116.67 117.89 1ggj s ASP 355 Ca 0.34 0.37 0.18 0.00 2.13 0.00 0.00 52.55 55.57 1ggj s ASP 355 Cb 0.21 -2.44 0.88 0.00 -1.45 0.00 0.00 42.92 40.12 1ggj s ASP 355 CO 0.43 -0.88 1.55 -0.81 0.13 0.00 0.00 175.17 175.59 1ggj n PRO 356 N 6.79 0.20 -0.09 4.34 -0.04 -1.26 -2.20 135.00 142.73 1ggj n PRO 356 Ca 0.06 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1ggj n PRO 356 Cb 0.48 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.71 1ggj n PRO 356 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ggj n THR 357 N -1.34 0.25 -5.03 0.52 -2.24 -1.26 -0.34 114.28 104.83 1ggj n THR 357 Ca 0.08 -0.53 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1ggj n THR 357 Cb 0.16 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 1ggj n THR 357 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ggj s LYS 358 N -1.75 2.96 0.29 -0.78 -0.14 -0.93 -4.84 119.74 114.53 1ggj s LYS 358 Ca 0.34 -0.79 0.04 0.00 -1.36 0.00 0.00 55.97 54.20 1ggj s LYS 358 Cb 0.21 -2.39 -0.03 0.00 -1.68 0.00 0.00 37.83 33.94 1ggj s LYS 358 CO 0.30 0.31 0.43 -0.48 -0.76 0.00 0.00 175.35 175.15 1ggj s LEU 359 N 0.06 4.17 -0.40 3.17 0.05 -1.26 -4.81 118.68 119.66 1ggj s LEU 359 Ca -0.08 0.11 -0.09 0.00 0.05 0.00 0.00 54.13 54.12 1ggj s LEU 359 Cb -0.15 -2.94 0.07 0.00 -2.05 0.00 0.00 46.19 41.11 1ggj s LEU 359 CO 0.05 -0.21 0.22 -0.63 -0.55 0.00 0.00 176.35 175.23 1ggj s ILE 360 N -2.11 4.14 0.22 1.48 1.01 -1.26 -5.05 121.20 119.63 1ggj s ILE 360 Ca 0.38 -1.30 -0.32 0.00 0.00 0.00 0.00 60.65 59.41 1ggj s ILE 360 Cb -0.09 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.77 1ggj s ILE 360 CO 0.31 -0.41 1.55 -2.65 0.00 0.00 0.00 174.94 173.74 1ggj n PRO 361 N 4.89 2.34 0.26 2.79 -0.02 -1.26 -4.85 135.00 139.16 1ggj n PRO 361 Ca -0.10 0.84 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 1ggj n PRO 361 Cb 0.44 -2.59 0.72 0.00 -0.02 0.00 0.00 33.50 32.04 1ggj n PRO 361 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ggj h GLU 362 N 5.25 0.00 -0.37 -0.52 5.08 -1.98 -1.54 114.58 120.51 1ggj h GLU 362 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1ggj h GLU 362 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1ggj h GLU 362 CO 0.84 0.11 0.11 0.93 -1.00 0.00 0.00 179.01 180.00 1ggj h GLU 363 N 0.00 0.54 0.12 2.33 4.39 -1.96 -3.00 114.58 117.00 1ggj h GLU 363 Ca -0.00 -0.08 -0.26 0.00 0.34 0.00 0.00 59.36 59.36 1ggj h GLU 363 Cb 0.40 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ggj h GLU 363 CO 0.01 0.48 -1.30 -0.07 -1.16 0.00 0.00 179.01 176.98 1ggj h LEU 364 N 0.53 0.41 -7.00 1.33 3.38 -1.68 -3.44 115.31 108.83 1ggj h LEU 364 Ca 0.13 -0.87 -0.55 0.00 0.09 0.00 0.00 57.88 56.67 1ggj h LEU 364 Cb 0.17 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 40.39 1ggj h LEU 364 CO -0.01 1.58 -0.77 -0.69 0.09 0.00 0.00 178.44 178.64 1ggj s VAL 365 N -2.47 0.41 0.63 1.22 1.01 -0.72 -5.07 120.40 115.41 1ggj s VAL 365 Ca -0.18 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 1ggj s VAL 365 Cb 0.04 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1ggj s VAL 365 CO 0.78 -0.65 1.23 -2.16 0.00 0.00 0.00 175.10 174.30 1ggj s PRO 366 N 1.86 2.72 -0.07 2.72 0.04 -1.14 -4.24 135.00 136.90 1ggj s PRO 366 Ca 0.08 1.88 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 1ggj s PRO 366 Cb -0.17 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1ggj s PRO 366 CO -0.28 -1.41 0.90 0.08 0.04 0.00 0.00 177.00 176.33 1ggj s VAL 367 N -1.61 4.88 -0.27 -0.36 1.01 -1.26 -4.39 120.40 118.41 1ggj s VAL 367 Ca 0.78 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 64.46 1ggj s VAL 367 Cb -0.32 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1ggj s VAL 367 CO 0.37 0.11 0.42 -1.58 0.00 0.00 0.00 175.10 174.42 1ggj s GLN 368 N 1.46 4.04 -0.28 2.72 0.74 0.55 -4.84 119.66 124.05 1ggj s GLN 368 Ca 0.45 0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.71 1ggj s GLN 368 Cb -0.19 -3.65 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 1ggj s GLN 368 CO 0.20 -0.30 1.57 1.03 -0.55 0.00 0.00 175.29 177.25 1ggj s ARG 369 N 2.14 3.70 -0.15 1.67 0.52 -1.26 -0.54 118.95 125.03 1ggj s ARG 369 Ca 0.17 1.46 0.11 0.00 -0.52 0.00 0.00 55.73 56.95 1ggj s ARG 369 Cb -0.16 -4.04 -0.17 0.00 0.52 0.00 0.00 34.95 31.10 1ggj s ARG 369 CO 0.10 -1.40 0.02 0.28 0.02 0.00 0.00 175.30 174.31 1ggj n VAL 370 N 6.65 1.00 -3.96 3.52 0.31 0.53 -4.92 118.33 121.47 1ggj n VAL 370 Ca 0.19 -0.59 0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1ggj n VAL 370 Cb 0.46 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1ggj n VAL 370 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ggj n GLY 371 N 2.18 0.38 2.88 2.92 0.00 -1.14 -1.07 105.19 111.34 1ggj n GLY 371 Ca -0.25 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1ggj n GLY 371 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ggj s LYS 372 N -2.00 0.06 -0.10 1.61 2.20 -0.26 -0.97 119.74 120.28 1ggj s LYS 372 Ca 0.12 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1ggj s LYS 372 Cb -0.00 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.25 1ggj s LYS 372 CO -0.01 0.02 -0.18 1.41 -0.36 0.00 0.00 175.35 176.23 1ggj s MET 373 N -0.02 3.08 -0.17 4.03 -2.45 0.24 -1.66 119.30 122.34 1ggj s MET 373 Ca 0.00 -0.78 0.01 0.00 -1.25 0.00 0.00 55.69 53.67 1ggj s MET 373 Cb -0.00 -2.44 0.02 0.00 1.25 0.00 0.00 34.83 33.66 1ggj s MET 373 CO -0.00 0.27 -0.20 0.08 1.05 0.00 0.00 175.02 176.22 1ggj s VAL 374 N 0.17 2.09 -0.47 10.11 1.01 -0.26 -1.04 120.40 132.02 1ggj s VAL 374 Ca -0.10 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1ggj s VAL 374 Cb -0.16 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.39 1ggj s VAL 374 CO 0.06 0.54 0.63 -0.76 0.00 0.00 0.00 175.10 175.57 1ggj s LEU 375 N 1.21 4.68 -0.02 3.92 1.02 -0.03 -1.55 118.68 127.92 1ggj s LEU 375 Ca 0.03 -0.58 0.03 0.00 0.02 0.00 0.00 54.13 53.63 1ggj s LEU 375 Cb -0.13 -2.60 0.04 0.00 0.02 0.00 0.00 46.19 43.52 1ggj s LEU 375 CO -0.11 -0.82 0.91 -0.46 0.02 0.00 0.00 176.35 175.88 1ggj n ASN 376 N 6.23 1.46 -3.66 2.29 6.94 -0.49 -3.65 115.26 124.39 1ggj n ASN 376 Ca -0.04 -1.93 -0.08 0.00 -0.02 0.00 0.00 54.58 52.51 1ggj n ASN 376 Cb 0.47 -0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.73 1ggj n ASN 376 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1ggj s ARG 377 N -0.99 0.60 0.60 -3.83 3.00 -0.82 -4.98 118.95 112.53 1ggj s ARG 377 Ca 0.05 1.11 -0.11 0.00 -1.00 0.00 0.00 55.73 55.77 1ggj s ARG 377 Cb 0.04 0.14 -0.05 0.00 0.00 0.00 0.00 34.95 35.08 1ggj s ARG 377 CO 0.00 -0.16 1.01 -0.80 0.00 0.00 0.00 175.30 175.36 1ggj s ASN 378 N 1.66 6.29 1.10 -2.12 0.01 -1.26 0.05 114.94 120.66 1ggj s ASN 378 Ca -0.09 1.42 -0.12 0.00 -0.71 0.00 0.00 52.86 53.35 1ggj s ASN 378 Cb -0.06 -2.46 0.25 0.00 0.41 0.00 0.00 41.25 39.38 1ggj s ASN 378 CO -0.18 -0.82 1.05 -2.16 -1.51 0.00 0.00 177.10 173.49 1ggj s PRO 379 N -5.00 -0.38 -0.19 -0.60 0.04 -1.26 -3.58 135.00 124.03 1ggj s PRO 379 Ca 0.55 0.86 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 1ggj s PRO 379 Cb -0.11 -1.62 -0.21 0.00 0.04 0.00 0.00 34.50 32.61 1ggj s PRO 379 CO 0.50 -3.37 0.17 -0.25 0.04 0.00 0.00 177.00 174.09 1ggj n ASP 380 N -4.67 1.99 -3.94 6.66 10.43 -1.26 -1.38 116.55 124.38 1ggj n ASP 380 Ca 0.04 0.28 -0.29 0.00 2.57 0.00 0.00 54.79 57.39 1ggj n ASP 380 Cb 0.55 -0.86 -0.16 0.00 1.84 0.00 0.00 41.12 42.48 1ggj n ASP 380 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1ggj s ASN 381 N -6.97 2.81 0.12 -2.24 3.84 -1.26 -4.67 114.94 106.57 1ggj s ASN 381 Ca -0.28 -0.61 -0.24 0.00 0.21 0.00 0.00 52.86 51.94 1ggj s ASN 381 Cb 0.07 -1.03 -0.07 0.00 -0.55 0.00 0.00 41.25 39.68 1ggj s ASN 381 CO 0.65 -0.14 1.68 0.15 -2.79 0.00 0.00 177.10 176.65 1ggj h PHE 382 N 8.08 -0.38 0.10 0.43 3.57 -1.98 -1.59 116.94 125.18 1ggj h PHE 382 Ca -0.29 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.24 1ggj h PHE 382 Cb 1.12 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1ggj h PHE 382 CO 0.47 -0.22 -0.23 0.35 -2.23 0.00 0.00 178.31 176.45 1ggj h PHE 383 N -0.24 -0.61 -0.76 0.41 3.04 -1.96 0.27 116.94 117.09 1ggj h PHE 383 Ca 0.05 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1ggj h PHE 383 Cb 0.31 0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 1ggj h PHE 383 CO -0.20 -0.33 0.47 0.00 -2.02 0.00 0.00 178.31 176.23 1ggj h ALA 384 N 0.36 0.97 0.01 2.41 0.00 -1.93 -2.29 119.26 118.79 1ggj h ALA 384 Ca 0.03 -0.08 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 1ggj h ALA 384 Cb 0.45 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1ggj h ALA 384 CO -0.14 0.42 -2.36 0.39 0.00 0.00 0.00 179.25 177.56 1ggj n GLU 385 N -4.51 0.63 -0.05 0.00 1.02 -0.61 -4.27 120.64 112.85 1ggj n GLU 385 Ca 0.07 0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 57.45 1ggj n GLU 385 Cb 0.05 -1.55 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1ggj n GLU 385 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1ggj h ASN 386 N -0.49 0.00 -0.80 1.62 -0.73 -0.65 -3.03 115.58 111.50 1ggj h ASN 386 Ca -0.60 0.00 0.11 0.00 1.87 0.00 0.00 56.30 57.68 1ggj h ASN 386 Cb 1.75 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 40.26 1ggj h ASN 386 CO -0.22 0.46 0.43 -0.08 -0.37 0.00 0.00 177.43 177.65 1ggj h GLU 387 N -0.86 0.68 -0.00 6.67 4.57 -1.16 -1.94 114.58 122.54 1ggj h GLU 387 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ggj h GLU 387 Cb 0.06 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1ggj h GLU 387 CO 0.00 0.45 -0.03 1.04 -1.18 0.00 0.00 179.01 179.29 1ggj n GLN 388 N -4.80 0.21 -2.02 1.92 6.02 -0.87 -4.91 117.38 112.93 1ggj n GLN 388 Ca 0.14 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 1ggj n GLN 388 Cb 0.31 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.08 1ggj n GLN 388 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ggj s ALA 389 N -2.80 3.06 -0.25 -1.58 0.00 -0.73 -4.88 121.76 114.58 1ggj s ALA 389 Ca 0.21 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1ggj s ALA 389 Cb 0.20 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1ggj s ALA 389 CO 0.51 -0.95 -0.07 0.00 0.00 0.00 0.00 175.76 175.25 1ggj s ALA 390 N -1.34 2.26 -0.13 0.00 0.00 -1.26 -5.04 121.76 116.24 1ggj s ALA 390 Ca 0.63 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1ggj s ALA 390 Cb -0.36 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ggj s ALA 390 CO 0.45 -1.24 0.09 -0.06 0.00 0.00 0.00 175.76 175.01 1ggj s PHE 391 N 1.25 3.42 -0.13 0.00 0.08 -1.26 -5.00 117.98 116.33 1ggj s PHE 391 Ca -0.06 0.36 -0.06 0.00 0.12 0.00 0.00 56.93 57.29 1ggj s PHE 391 Cb -0.19 -1.94 0.06 0.00 -0.57 0.00 0.00 43.02 40.38 1ggj s PHE 391 CO -0.06 0.55 0.30 -1.58 -0.10 0.00 0.00 175.22 174.33 1ggj s HIS 392 N -0.68 -0.44 0.33 0.36 5.65 -1.26 -4.95 115.29 114.30 1ggj s HIS 392 Ca 0.12 0.99 0.35 0.00 0.25 0.00 0.00 55.06 56.77 1ggj s HIS 392 Cb -0.12 0.10 1.66 0.00 -1.18 0.00 0.00 32.58 33.04 1ggj s HIS 392 CO 0.03 -0.30 2.11 -1.00 -0.65 0.00 0.00 174.74 174.92 1ggj h PRO 393 N 7.46 0.00 -0.09 2.88 0.13 -1.92 -2.24 132.00 138.21 1ggj h PRO 393 Ca -0.33 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1ggj h PRO 393 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ggj h PRO 393 CO 0.29 0.04 -0.29 0.78 -0.23 0.00 0.00 178.00 178.60 1ggj h GLY 394 N 1.21 0.18 -7.28 1.56 0.00 -1.89 -3.40 103.07 93.43 1ggj h GLY 394 Ca -0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 47.33 46.96 1ggj h GLY 394 CO 0.01 0.13 0.62 0.30 0.00 0.00 0.00 176.54 177.60 1ggj s HIS 395 N -4.39 1.67 0.52 5.60 3.76 -0.84 -4.90 115.29 116.70 1ggj s HIS 395 Ca -0.04 0.96 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 1ggj s HIS 395 Cb 0.14 -3.88 -0.00 0.00 1.11 0.00 0.00 32.58 29.95 1ggj s HIS 395 CO 0.74 -1.54 0.08 0.96 -0.85 0.00 0.00 174.74 174.14 1ggj s ILE 396 N 11.58 1.27 0.11 0.60 -4.36 -1.26 -1.55 121.20 127.59 1ggj s ILE 396 Ca 0.75 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 59.26 1ggj s ILE 396 Cb -0.07 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1ggj s ILE 396 CO 0.05 0.00 -0.07 0.68 0.24 0.00 0.00 174.94 175.84 1ggj s VAL 397 N -2.85 0.77 0.21 8.37 -7.23 -1.26 -4.81 120.40 113.59 1ggj s VAL 397 Ca 0.12 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.01 1ggj s VAL 397 Cb 0.01 -1.74 -0.15 0.00 0.56 0.00 0.00 36.38 35.06 1ggj s VAL 397 CO 0.07 -0.83 1.10 -2.65 -0.31 0.00 0.00 175.10 172.48 1ggj n PRO 398 N -0.08 1.19 0.00 4.82 -0.02 -1.26 -1.17 135.00 138.48 1ggj n PRO 398 Ca -0.11 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1ggj n PRO 398 Cb 0.61 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1ggj n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ggj n GLY 399 N 1.81 0.25 3.23 -1.23 0.00 -1.26 -3.53 105.19 104.44 1ggj n GLY 399 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ggj n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggj s LEU 400 N 0.00 2.30 0.17 0.99 1.43 -0.31 -0.89 118.68 122.37 1ggj s LEU 400 Ca 0.00 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.26 1ggj s LEU 400 Cb 0.00 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.59 1ggj s LEU 400 CO 0.00 -0.03 0.47 -0.62 0.23 0.00 0.00 176.35 176.40 1ggj s ASP 401 N -1.91 -0.25 0.75 2.29 3.68 0.02 -4.72 116.67 116.53 1ggj s ASP 401 Ca 0.03 -0.43 -0.01 0.00 2.13 0.00 0.00 52.55 54.26 1ggj s ASP 401 Cb -0.09 0.54 0.03 0.00 -1.45 0.00 0.00 42.92 41.94 1ggj s ASP 401 CO 0.03 -0.98 0.17 0.49 0.13 0.00 0.00 175.17 175.02 1ggj n PHE 402 N -0.30 -3.70 -4.26 -5.34 3.01 -1.26 -0.96 117.46 104.65 1ggj n PHE 402 Ca -0.12 -0.21 -0.19 0.00 1.01 0.00 0.00 57.45 57.95 1ggj n PHE 402 Cb 0.63 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.89 1ggj n PHE 402 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ggj s THR 403 N -0.90 0.00 -2.04 4.37 -4.23 -1.26 -4.28 115.64 107.30 1ggj s THR 403 Ca 0.10 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 1ggj s THR 403 Cb -0.00 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.61 1ggj s THR 403 CO 0.07 0.00 1.35 0.59 -0.54 0.00 0.00 174.62 176.09 1ggj n ASN 404 N -1.48 0.63 -4.70 3.99 3.02 -1.26 -4.68 115.26 110.77 1ggj n ASN 404 Ca 0.07 -1.78 -0.58 0.00 -0.03 0.00 0.00 54.58 52.26 1ggj n ASN 404 Cb 0.62 -0.06 -0.07 0.00 -0.61 0.00 0.00 39.78 39.66 1ggj n ASN 404 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ggj n ASP 405 N -0.26 2.18 0.24 6.41 -0.08 -1.26 -4.80 116.55 118.98 1ggj n ASP 405 Ca 0.09 1.09 0.11 0.00 -1.51 0.00 0.00 54.79 54.57 1ggj n ASP 405 Cb 0.13 -1.12 0.60 0.00 2.34 0.00 0.00 41.12 43.07 1ggj n ASP 405 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ggj h PRO 406 N 6.68 0.00 0.17 -0.67 0.13 -1.76 0.68 132.00 137.24 1ggj h PRO 406 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1ggj h PRO 406 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ggj h PRO 406 CO 0.94 0.18 -0.08 1.25 -0.23 0.00 0.00 178.00 180.06 1ggj h LEU 407 N 0.00 -0.19 -0.69 1.56 5.85 -1.80 -2.74 115.31 117.30 1ggj h LEU 407 Ca -0.00 -0.27 0.09 0.00 0.84 0.00 0.00 57.88 58.53 1ggj h LEU 407 Cb 0.51 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1ggj h LEU 407 CO 0.02 0.37 0.35 0.25 -0.34 0.00 0.00 178.44 179.10 1ggj h LEU 408 N -0.96 0.47 -0.40 2.25 5.85 -1.84 -1.02 115.31 119.66 1ggj h LEU 408 Ca -0.02 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1ggj h LEU 408 Cb 0.45 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1ggj h LEU 408 CO 0.04 0.28 -0.15 1.56 -0.34 0.00 0.00 178.44 179.83 1ggj h GLN 409 N 0.61 -0.06 -0.00 1.25 1.08 -0.98 -1.81 115.11 115.20 1ggj h GLN 409 Ca 0.34 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.41 1ggj h GLN 409 Cb 0.33 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1ggj h GLN 409 CO -0.25 -0.04 -0.62 0.78 -0.95 0.00 0.00 178.83 177.75 1ggj h GLY 410 N -0.06 0.00 1.20 3.46 0.00 -1.43 -2.84 103.07 103.40 1ggj h GLY 410 Ca 0.20 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.57 1ggj h GLY 410 CO -0.45 0.00 0.42 3.21 0.00 0.00 0.00 176.54 179.73 1ggj h ARG 411 N 0.00 0.69 -0.70 4.80 3.08 -0.38 -2.25 114.38 119.62 1ggj h ARG 411 Ca -0.01 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1ggj h ARG 411 Cb 1.11 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 1ggj h ARG 411 CO 0.08 0.45 0.46 -0.07 -1.07 0.00 0.00 179.97 179.83 1ggj h LEU 412 N 0.71 0.59 -0.20 3.04 3.38 -1.16 -2.10 115.31 119.57 1ggj h LEU 412 Ca 0.27 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 1ggj h LEU 412 Cb 0.16 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ggj h LEU 412 CO -0.08 0.38 -0.20 0.15 0.09 0.00 0.00 178.44 178.78 1ggj h PHE 413 N 0.67 0.58 0.53 1.13 3.57 -1.55 -3.40 116.94 118.48 1ggj h PHE 413 Ca 0.31 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1ggj h PHE 413 Cb 0.34 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.96 1ggj h PHE 413 CO -0.00 0.84 -0.26 1.03 -2.23 0.00 0.00 178.31 177.69 1ggj h SER 414 N 0.16 -0.61 0.21 0.41 0.87 -1.37 -3.09 113.55 110.14 1ggj h SER 414 Ca 0.03 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ggj h SER 414 Cb 0.74 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1ggj h SER 414 CO 0.05 -0.40 -0.01 1.88 -0.53 0.00 0.00 176.83 177.82 1ggj h TYR 415 N -0.77 0.00 0.00 2.24 0.05 -1.74 -0.00 116.97 116.75 1ggj h TYR 415 Ca -0.07 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 1ggj h TYR 415 Cb 0.57 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 1ggj h TYR 415 CO -0.03 0.01 -0.28 1.15 -1.05 0.00 0.00 178.16 177.97 1ggj h THR 416 N 0.00 1.13 -0.65 -2.88 2.02 -1.79 -3.39 112.91 107.35 1ggj h THR 416 Ca -0.00 -1.94 0.13 0.00 0.77 0.00 0.00 66.41 65.36 1ggj h THR 416 Cb 0.12 2.24 -0.12 0.00 -1.74 0.00 0.00 68.15 68.64 1ggj h THR 416 CO 0.00 0.38 -0.20 -0.78 0.37 0.00 0.00 175.52 175.29 1ggj h ASP 417 N -1.00 -0.73 0.14 4.18 3.58 -1.27 -2.99 116.42 118.32 1ggj h ASP 417 Ca -0.07 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1ggj h ASP 417 Cb 0.82 0.45 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1ggj h ASP 417 CO -0.04 -0.24 -0.13 0.00 -2.88 0.00 0.00 179.24 175.95 1ggj h THR 418 N -0.04 1.06 -0.01 2.25 1.03 -1.22 -1.79 112.91 114.20 1ggj h THR 418 Ca 0.30 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1ggj h THR 418 Cb 0.51 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 1ggj h THR 418 CO -0.69 0.13 -0.01 0.00 -0.01 0.00 0.00 175.52 174.94 1ggj n GLN 419 N -4.34 1.26 -0.24 0.00 3.00 -1.13 -1.91 117.38 114.02 1ggj n GLN 419 Ca -0.03 -0.42 -0.05 0.00 -0.01 0.00 0.00 57.00 56.49 1ggj n GLN 419 Cb 0.20 -1.49 0.10 0.00 0.00 0.00 0.00 30.24 29.05 1ggj n GLN 419 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1ggj h ILE 420 N 1.03 1.25 0.00 5.09 1.08 -1.44 0.20 117.51 124.73 1ggj h ILE 420 Ca 0.00 -0.86 -0.14 0.00 -0.39 0.00 0.00 64.86 63.46 1ggj h ILE 420 Cb 0.23 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 1ggj h ILE 420 CO 0.00 0.34 -0.86 0.77 -0.69 0.00 0.00 178.15 177.71 1ggj h SER 421 N 1.05 0.00 -0.54 1.72 4.64 -1.73 -1.79 113.55 116.90 1ggj h SER 421 Ca 0.23 -0.49 0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1ggj h SER 421 Cb 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.31 1ggj h SER 421 CO -0.01 1.24 0.21 -0.09 -0.87 0.00 0.00 176.83 177.31 1ggj h ARG 422 N -1.00 0.38 -0.50 4.77 2.43 -1.31 -2.43 114.38 116.72 1ggj h ARG 422 Ca -0.22 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1ggj h ARG 422 Cb 1.06 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ggj h ARG 422 CO -0.13 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 179.86 1ggj n LEU 423 N -4.99 4.06 0.00 3.80 4.77 0.68 -4.34 117.00 120.99 1ggj n LEU 423 Ca 0.06 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 1ggj n LEU 423 Cb 0.22 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ggj n LEU 423 CO 0.24 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1ggj n GLY 424 N 0.68 0.78 0.00 -0.72 0.00 -0.92 -4.76 105.19 100.25 1ggj n GLY 424 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ggj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggj n GLY 425 N -2.04 -2.13 0.01 -0.02 0.00 -0.68 -4.81 105.19 95.52 1ggj n GLY 425 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.90 1ggj n GLY 425 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ggj n PRO 426 N -0.48 0.30 -0.94 1.61 -0.04 -1.26 -3.46 135.00 130.73 1ggj n PRO 426 Ca 0.00 -0.03 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1ggj n PRO 426 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1ggj n PRO 426 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ggj n ASN 427 N -1.33 3.92 0.29 3.54 3.02 -1.26 -4.53 115.26 118.92 1ggj n ASN 427 Ca 0.12 -3.18 0.17 0.00 -0.03 0.00 0.00 54.58 51.65 1ggj n ASN 427 Cb 0.28 -0.75 0.90 0.00 -0.61 0.00 0.00 39.78 39.61 1ggj n ASN 427 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1ggj h PHE 428 N 1.40 0.00 0.00 3.10 -5.15 -1.85 -0.97 116.94 113.47 1ggj h PHE 428 Ca 0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.17 1ggj h PHE 428 Cb 2.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.51 1ggj h PHE 428 CO 1.21 0.05 0.00 1.12 -2.00 0.00 0.00 178.31 178.69 1ggj h HIS 429 N 0.00 0.00 0.00 6.09 2.07 -1.89 -2.34 115.15 119.08 1ggj h HIS 429 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ggj h HIS 429 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1ggj h HIS 429 CO 0.00 0.00 -0.24 0.39 -3.07 0.00 0.00 177.93 175.01 1ggj n GLU 430 N -2.55 0.04 -2.16 5.12 1.02 -0.37 -2.88 120.64 118.87 1ggj n GLU 430 Ca 0.02 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 1ggj n GLU 430 Cb 0.26 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 1ggj n GLU 430 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ggj s ILE 431 N -3.02 3.67 0.12 -3.67 1.01 -0.88 -4.83 121.20 113.59 1ggj s ILE 431 Ca 0.12 0.98 -0.12 0.00 0.00 0.00 0.00 60.65 61.63 1ggj s ILE 431 Cb 0.17 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 39.11 1ggj s ILE 431 CO 0.61 -0.03 0.88 -2.65 0.00 0.00 0.00 174.94 173.75 1ggj n PRO 432 N 5.99 -0.16 0.22 2.79 -0.02 -1.26 -0.28 135.00 142.27 1ggj n PRO 432 Ca 0.15 0.87 0.06 0.00 -2.02 0.00 0.00 63.50 62.56 1ggj n PRO 432 Cb 0.43 -1.29 0.55 0.00 -0.02 0.00 0.00 33.50 33.18 1ggj n PRO 432 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ggj h ILE 433 N 0.00 1.08 0.00 4.25 6.09 -1.90 -2.41 117.51 124.61 1ggj h ILE 433 Ca 0.17 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1ggj h ILE 433 Cb 0.31 1.15 0.00 0.00 0.47 0.00 0.00 36.82 38.76 1ggj h ILE 433 CO -0.56 0.10 -0.25 0.78 -3.07 0.00 0.00 178.15 175.16 1ggj h ASN 434 N 0.03 0.00 -2.88 2.19 2.35 -0.92 -3.47 115.58 112.89 1ggj h ASN 434 Ca 0.01 -0.04 -0.52 0.00 -0.55 0.00 0.00 56.30 55.19 1ggj h ASN 434 Cb 0.17 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.59 1ggj h ASN 434 CO 0.01 0.02 0.90 -0.13 -1.65 0.00 0.00 177.43 176.58 1ggj s ARG 435 N -3.18 4.19 0.62 0.81 0.52 -0.91 -4.85 118.95 116.15 1ggj s ARG 435 Ca 0.07 2.44 -0.19 0.00 -0.52 0.00 0.00 55.73 57.53 1ggj s ARG 435 Cb 0.10 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 1ggj s ARG 435 CO 0.67 -0.63 1.27 -2.14 0.02 0.00 0.00 175.30 174.49 1ggj s PRO 436 N 0.87 2.72 0.18 3.54 0.02 -1.26 -4.94 135.00 136.12 1ggj s PRO 436 Ca 0.70 2.00 0.22 0.00 0.02 0.00 0.00 61.00 63.94 1ggj s PRO 436 Cb -0.45 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.14 1ggj s PRO 436 CO 0.34 -1.45 0.99 0.25 -0.33 0.00 0.00 177.00 176.80 1ggj n THR 437 N -1.75 0.55 -2.40 0.99 -2.24 -1.26 -4.90 114.28 103.27 1ggj n THR 437 Ca 0.15 -0.53 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 1ggj n THR 437 Cb 0.48 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1ggj n THR 437 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ggj s PRO 439 N -5.02 4.02 -0.03 0.00 0.02 -1.26 -5.03 135.00 127.69 1ggj s PRO 439 Ca 0.56 2.46 -0.00 0.00 0.02 0.00 0.00 61.00 64.05 1ggj s PRO 439 Cb -0.11 -2.88 0.03 0.00 0.02 0.00 0.00 34.50 31.56 1ggj s PRO 439 CO 0.43 -0.57 0.01 1.52 -0.33 0.00 0.00 177.00 178.07 1ggj s TYR 440 N -1.15 0.27 -0.12 6.54 1.13 -1.26 -4.99 117.35 117.76 1ggj s TYR 440 Ca 0.55 0.04 -0.07 0.00 -1.41 0.00 0.00 57.07 56.17 1ggj s TYR 440 Cb -0.44 -0.43 0.05 0.00 -1.10 0.00 0.00 41.96 40.03 1ggj s TYR 440 CO 0.59 -0.15 0.30 -1.01 -2.51 0.00 0.00 175.55 172.77 1ggj s HIS 441 N 1.27 -0.40 0.04 -3.49 3.76 -1.26 -5.16 115.29 110.05 1ggj s HIS 441 Ca -0.06 0.91 -0.03 0.00 -0.15 0.00 0.00 55.06 55.73 1ggj s HIS 441 Cb -0.13 0.12 0.01 0.00 1.11 0.00 0.00 32.58 33.68 1ggj s HIS 441 CO -0.02 -0.24 0.14 0.27 -0.85 0.00 0.00 174.74 174.03 1ggj n ASN 442 N 3.97 -0.29 -1.18 1.40 0.23 -1.26 -4.93 115.26 113.20 1ggj n ASN 442 Ca -0.22 -1.17 0.11 0.00 -0.53 0.00 0.00 54.58 52.76 1ggj n ASN 442 Cb 0.55 0.47 0.27 0.00 -2.08 0.00 0.00 39.78 38.99 1ggj n ASN 442 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ggj n PHE 443 N -0.10 0.80 -2.24 -2.53 3.01 -1.26 -4.94 117.46 110.20 1ggj n PHE 443 Ca -0.01 -0.45 -0.41 0.00 1.01 0.00 0.00 57.45 57.60 1ggj n PHE 443 Cb 0.09 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.52 1ggj n PHE 443 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1ggj s GLN 444 N -1.07 4.45 0.17 -1.08 -0.21 -1.26 -4.68 119.66 115.98 1ggj s GLN 444 Ca 0.42 2.07 -0.03 0.00 0.02 0.00 0.00 55.36 57.84 1ggj s GLN 444 Cb 0.22 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 31.08 1ggj s GLN 444 CO 0.30 -0.06 0.16 1.03 -2.12 0.00 0.00 175.29 174.59 1ggj s ARG 445 N -1.55 1.13 3.65 2.91 1.81 -1.26 -5.08 118.95 120.56 1ggj s ARG 445 Ca 0.48 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.04 1ggj s ARG 445 Cb -0.37 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1ggj s ARG 445 CO 0.48 -0.37 0.00 -0.25 -0.68 0.00 0.00 175.30 174.48 1ggj n ASP 446 N -0.21 -0.38 0.00 0.23 8.00 -1.26 -5.05 116.55 117.88 1ggj n ASP 446 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1ggj n ASP 446 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1ggj n ASP 446 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggj n GLY 447 N 0.00 1.98 3.66 0.44 0.00 -1.26 -4.68 105.19 105.34 1ggj n GLY 447 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1ggj n GLY 447 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ggj n MET 448 N 1.84 1.88 -3.84 1.61 1.56 -1.26 -2.52 117.12 116.39 1ggj n MET 448 Ca 0.00 0.66 -0.26 0.00 -0.27 0.00 0.00 57.70 57.83 1ggj n MET 448 Cb 0.00 -2.18 0.00 0.00 2.15 0.00 0.00 33.22 33.20 1ggj n MET 448 CO 0.00 0.00 0.00 1.58 -0.73 0.00 0.00 175.97 176.82 1ggj n HIS 449 N 0.30 -1.76 -2.22 1.12 -0.00 -1.26 -4.57 115.22 106.82 1ggj n HIS 449 Ca 0.06 0.70 -0.42 0.00 -0.00 0.00 0.00 57.72 58.05 1ggj n HIS 449 Cb 0.35 -3.80 -0.03 0.00 -0.00 0.00 0.00 29.99 26.51 1ggj n HIS 449 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1ggj s ARG 450 N -6.31 4.26 -0.21 1.57 6.06 -1.05 -4.89 118.95 118.37 1ggj s ARG 450 Ca 0.11 1.94 -0.11 0.00 -2.50 0.00 0.00 55.73 55.17 1ggj s ARG 450 Cb -0.04 -3.69 -0.19 0.00 0.06 0.00 0.00 34.95 31.09 1ggj s ARG 450 CO 0.87 -0.65 0.03 -1.33 -2.50 0.00 0.00 175.30 171.72 1ggj n MET 451 N 5.94 0.64 -1.99 5.12 2.81 -1.26 -4.94 117.12 123.44 1ggj n MET 451 Ca 0.14 0.34 -0.41 0.00 -1.81 0.00 0.00 57.70 55.95 1ggj n MET 451 Cb 0.44 -1.63 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 1ggj n MET 451 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ggj s GLY 452 N -5.53 2.16 -0.44 3.03 0.00 -1.26 -4.98 107.32 100.30 1ggj s GLY 452 Ca -0.31 1.35 -0.09 0.00 0.00 0.00 0.00 44.72 45.67 1ggj s GLY 452 CO 0.62 2.36 0.30 -0.42 0.00 0.00 0.00 173.10 175.95 1ggj s ILE 453 N 0.22 4.19 0.01 0.90 1.01 -1.26 -4.99 121.20 121.28 1ggj s ILE 453 Ca 0.62 -1.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.37 1ggj s ILE 453 Cb -0.42 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1ggj s ILE 453 CO 0.41 -0.63 1.26 -1.81 0.00 0.00 0.00 174.94 174.17 1ggj s ASP 454 N 2.36 7.00 0.00 3.58 1.11 -1.26 -4.91 116.67 124.54 1ggj s ASP 454 Ca 0.04 1.99 0.24 0.00 0.18 0.00 0.00 52.55 55.00 1ggj s ASP 454 Cb -0.24 -2.57 0.20 0.00 1.07 0.00 0.00 42.92 41.38 1ggj s ASP 454 CO 0.01 -0.58 1.21 0.35 1.18 0.00 0.00 175.17 177.34 1ggj n THR 455 N 4.34 0.00 -1.69 -1.27 -2.24 -1.26 -4.95 114.28 107.21 1ggj n THR 455 Ca 0.11 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 1ggj n THR 455 Cb 0.45 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 1ggj n THR 455 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ggj n ASN 456 N -0.42 3.86 -0.05 3.42 2.85 -1.26 -4.86 115.26 118.80 1ggj n ASN 456 Ca 0.09 1.01 0.13 0.00 -0.11 0.00 0.00 54.58 55.70 1ggj n ASN 456 Cb 0.42 -1.52 0.54 0.00 1.24 0.00 0.00 39.78 40.46 1ggj n ASN 456 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ggj h PRO 457 N 8.06 0.31 -6.07 1.20 0.11 -1.92 -3.41 132.00 130.28 1ggj h PRO 457 Ca -0.46 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 64.98 1ggj h PRO 457 Cb 1.23 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.18 1ggj h PRO 457 CO 0.94 0.21 -0.58 0.00 -0.21 0.00 0.00 178.00 178.35 1ggj s ALA 458 N -5.31 3.59 -0.12 -0.75 0.00 -1.26 -5.00 121.76 112.91 1ggj s ALA 458 Ca -0.07 -0.93 0.14 0.00 0.00 0.00 0.00 51.96 51.11 1ggj s ALA 458 Cb 0.19 -1.53 0.31 0.00 0.00 0.00 0.00 23.12 22.10 1ggj s ALA 458 CO 0.74 0.72 1.15 0.27 0.00 0.00 0.00 175.76 178.65 1ggj n ASN 459 N 0.85 1.59 -3.81 0.00 2.04 -1.26 -4.98 115.26 109.69 1ggj n ASN 459 Ca -0.11 -3.06 -0.09 0.00 -0.44 0.00 0.00 54.58 50.89 1ggj n ASN 459 Cb 0.52 -0.41 -0.07 0.00 -2.53 0.00 0.00 39.78 37.29 1ggj n ASN 459 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1ggj s TYR 460 N -2.17 0.07 -0.02 -2.53 -0.85 -1.26 -4.78 117.35 105.81 1ggj s TYR 460 Ca 0.30 -0.47 -0.06 0.00 -0.52 0.00 0.00 57.07 56.32 1ggj s TYR 460 Cb 0.28 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.64 1ggj s TYR 460 CO -0.04 -0.57 0.13 -1.83 -1.52 0.00 0.00 175.55 171.72 1ggj s GLU 461 N -3.80 0.32 0.46 -3.49 4.04 -1.26 -4.06 118.70 110.91 1ggj s GLU 461 Ca 0.04 -0.14 -0.23 0.00 0.04 0.00 0.00 54.97 54.68 1ggj s GLU 461 Cb 0.04 0.14 -0.08 0.00 0.02 0.00 0.00 34.13 34.25 1ggj s GLU 461 CO -0.11 -0.07 1.14 -1.25 -1.84 0.00 0.00 175.26 173.13 1ggj s PRO 462 N -0.72 3.78 0.07 -4.83 0.04 -1.26 -5.19 135.00 126.88 1ggj s PRO 462 Ca -0.08 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1ggj s PRO 462 Cb -0.05 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1ggj s PRO 462 CO 0.01 -0.51 -0.07 0.54 0.04 0.00 0.00 177.00 177.00 1ggj s ASN 463 N -1.47 0.98 -0.03 6.66 2.20 -1.26 -5.03 114.94 116.99 1ggj s ASN 463 Ca 0.64 -0.74 0.11 0.00 -0.94 0.00 0.00 52.86 51.92 1ggj s ASN 463 Cb -0.26 0.06 -0.16 0.00 -2.00 0.00 0.00 41.25 38.89 1ggj s ASN 463 CO 0.32 -0.32 0.20 -1.54 -2.94 0.00 0.00 177.10 172.82 1ggj n SER 464 N 0.82 2.49 0.27 3.54 3.41 -1.26 -1.59 113.62 121.30 1ggj n SER 464 Ca -0.18 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.58 1ggj n SER 464 Cb 0.57 1.34 0.68 0.00 -0.26 0.00 0.00 64.21 66.54 1ggj n SER 464 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1ggj h ILE 465 N 0.00 0.25 -0.04 -1.33 3.07 -1.98 -1.37 117.51 116.11 1ggj h ILE 465 Ca -0.06 -0.63 -0.00 0.00 1.55 0.00 0.00 64.86 65.71 1ggj h ILE 465 Cb 0.75 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1ggj h ILE 465 CO 0.00 0.08 -0.05 -3.20 -1.05 0.00 0.00 178.15 173.93 1ggj n ASN 466 N -3.27 2.46 -3.09 2.16 5.15 -1.26 -4.89 115.26 112.52 1ggj n ASN 466 Ca -0.00 -3.18 -0.23 0.00 -0.60 0.00 0.00 54.58 50.57 1ggj n ASN 466 Cb 0.30 -0.46 0.03 0.00 -0.53 0.00 0.00 39.78 39.13 1ggj n ASN 466 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ggj n ASP 467 N -1.29 -5.71 -0.37 1.20 2.03 -0.52 -2.23 116.55 109.65 1ggj n ASP 467 Ca 0.17 -0.31 -0.05 0.00 0.52 0.00 0.00 54.79 55.13 1ggj n ASP 467 Cb 0.68 -4.63 -0.02 0.00 -0.72 0.00 0.00 41.12 36.44 1ggj n ASP 467 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1ggj n ASN 468 N -2.49 -4.51 -4.86 1.67 5.15 -0.62 -4.98 115.26 104.62 1ggj n ASN 468 Ca -0.10 0.12 -0.33 0.00 -0.60 0.00 0.00 54.58 53.68 1ggj n ASN 468 Cb 0.61 -2.43 -0.06 0.00 -0.53 0.00 0.00 39.78 37.37 1ggj n ASN 468 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ggj s TRP 469 N -1.87 3.44 0.37 1.20 0.52 -0.95 -3.53 118.94 118.13 1ggj s TRP 469 Ca 0.00 1.02 -0.27 0.00 0.02 0.00 0.00 56.10 56.87 1ggj s TRP 469 Cb 0.00 -2.37 -0.09 0.00 -1.15 0.00 0.00 33.47 29.86 1ggj s TRP 469 CO 0.00 0.24 1.24 -1.25 0.02 0.00 0.00 176.95 177.20 1ggj s PRO 470 N -2.71 4.15 0.11 4.98 0.04 -1.26 -4.87 135.00 135.43 1ggj s PRO 470 Ca 0.48 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.58 1ggj s PRO 470 Cb -0.12 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1ggj s PRO 470 CO 0.20 -0.30 0.14 1.03 0.04 0.00 0.00 177.00 178.11 1ggj s ARG 471 N -2.08 3.04 0.78 4.56 0.52 -1.23 -5.02 118.95 119.51 1ggj s ARG 471 Ca 0.54 -0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 54.91 1ggj s ARG 471 Cb -0.35 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.36 1ggj s ARG 471 CO 0.46 0.55 0.92 0.39 0.02 0.00 0.00 175.30 177.63 1ggj n GLU 472 N 0.10 0.28 -4.06 3.54 1.02 -1.26 -5.03 120.64 115.22 1ggj n GLU 472 Ca -0.08 0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 57.00 1ggj n GLU 472 Cb 0.53 -2.19 -0.17 0.00 -0.02 0.00 0.00 31.44 29.59 1ggj n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ggj s THR 473 N -2.00 0.61 0.55 2.62 2.01 -1.26 -5.06 115.64 113.11 1ggj s THR 473 Ca 0.70 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 1ggj s THR 473 Cb -0.31 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 1ggj s THR 473 CO 0.54 0.26 1.32 -2.84 -0.69 0.00 0.00 174.62 173.21 1ggj s PRO 474 N 1.27 3.16 0.59 4.92 0.02 -1.26 -1.63 135.00 142.06 1ggj s PRO 474 Ca -0.05 2.15 -0.20 0.00 0.02 0.00 0.00 61.00 62.92 1ggj s PRO 474 Cb -0.14 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 1ggj s PRO 474 CO -0.02 -1.15 1.22 -0.35 -0.33 0.00 0.00 177.00 176.37 1ggj n PRO 475 N -1.06 1.27 -3.88 5.54 -0.04 -1.25 -1.93 135.00 133.65 1ggj n PRO 475 Ca 0.11 0.48 -0.02 0.00 -0.04 0.00 0.00 63.50 64.03 1ggj n PRO 475 Cb 0.46 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.50 1ggj n PRO 475 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ggj s GLY 476 N -1.15 0.02 0.46 0.55 0.00 -1.26 -4.80 107.32 101.14 1ggj s GLY 476 Ca 0.76 -0.19 0.12 0.00 0.00 0.00 0.00 44.72 45.41 1ggj s GLY 476 CO 0.46 2.65 2.09 -0.56 0.00 0.00 0.00 173.10 177.74 1ggj h PRO 477 N 2.00 0.23 -2.51 2.90 0.13 -1.94 -3.40 132.00 129.41 1ggj h PRO 477 Ca -0.27 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1ggj h PRO 477 Cb 1.21 -0.05 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1ggj h PRO 477 CO 0.34 0.17 -0.11 0.21 -0.23 0.00 0.00 178.00 178.38 1ggj s LYS 478 N -5.19 0.64 -1.33 0.86 2.20 -1.26 -4.85 119.74 110.80 1ggj s LYS 478 Ca -0.06 0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1ggj s LYS 478 Cb 0.17 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 1ggj s LYS 478 CO 0.70 -0.10 0.04 0.54 -0.36 0.00 0.00 175.35 176.17 1ggj n ARG 479 N 2.53 -2.19 -3.30 4.03 5.12 -1.26 -4.97 116.66 116.62 1ggj n ARG 479 Ca -0.15 0.75 -0.18 0.00 -1.93 0.00 0.00 57.85 56.34 1ggj n ARG 479 Cb 0.56 -5.38 -0.00 0.00 -1.16 0.00 0.00 32.46 26.48 1ggj n ARG 479 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ggj s GLY 480 N -2.09 1.83 0.79 -0.13 0.00 -1.26 -4.95 107.32 101.50 1ggj s GLY 480 Ca 0.03 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1ggj s GLY 480 CO 0.03 -1.48 1.10 -0.32 0.00 0.00 0.00 173.10 172.43 1ggj s GLY 481 N -4.23 1.62 0.02 0.20 0.00 -0.65 -4.77 107.32 99.51 1ggj s GLY 481 Ca 0.50 -0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 1ggj s GLY 481 CO 0.31 0.19 1.08 -0.12 0.00 0.00 0.00 173.10 174.56 1ggj s PHE 482 N -3.19 3.55 -0.05 1.90 5.36 -1.26 -3.87 117.98 120.42 1ggj s PHE 482 Ca 0.60 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 58.10 1ggj s PHE 482 Cb -0.14 -3.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.31 1ggj s PHE 482 CO 0.54 -0.57 -0.02 -2.00 -1.46 0.00 0.00 175.22 171.71 1ggj s GLU 483 N 1.11 0.67 0.42 10.12 2.12 -1.26 -4.93 118.70 126.95 1ggj s GLU 483 Ca 0.55 -0.01 -0.25 0.00 0.36 0.00 0.00 54.97 55.62 1ggj s GLU 483 Cb -0.24 -0.82 -0.08 0.00 0.26 0.00 0.00 34.13 33.24 1ggj s GLU 483 CO 0.28 -0.16 1.25 -1.12 -0.54 0.00 0.00 175.26 174.97 1ggj s SER 484 N 1.27 6.28 0.21 -1.70 0.01 -1.26 -4.95 113.70 113.57 1ggj s SER 484 Ca -0.06 2.53 -0.32 0.00 1.31 0.00 0.00 55.95 59.42 1ggj s SER 484 Cb -0.14 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.35 1ggj s SER 484 CO -0.02 -0.86 1.68 0.00 0.41 0.00 0.00 173.24 174.45 1ggj n TYR 485 N -0.04 2.69 -1.47 2.43 9.36 -1.26 -4.85 117.16 124.02 1ggj n TYR 485 Ca 0.05 0.11 -0.40 0.00 3.32 0.00 0.00 57.90 60.98 1ggj n TYR 485 Cb 0.45 -2.64 -0.02 0.00 -0.63 0.00 0.00 39.34 36.50 1ggj n TYR 485 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ggj n GLN 486 N 3.59 3.56 -1.77 2.98 6.02 -1.26 -4.96 117.38 125.54 1ggj n GLN 486 Ca 0.15 -2.40 -0.41 0.00 -0.01 0.00 0.00 57.00 54.33 1ggj n GLN 486 Cb 0.34 -2.91 -0.01 0.00 1.02 0.00 0.00 30.24 28.69 1ggj n GLN 486 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ggj n GLU 487 N 4.08 2.71 -2.76 -1.09 2.13 -1.26 -4.96 120.64 119.49 1ggj n GLU 487 Ca 0.71 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 59.06 1ggj n GLU 487 Cb 0.27 -2.71 -0.03 0.00 0.27 0.00 0.00 31.44 29.24 1ggj n GLU 487 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1ggj s ARG 488 N -1.54 4.42 -0.22 5.31 6.06 -1.26 -5.03 118.95 126.69 1ggj s ARG 488 Ca 0.57 1.27 -0.03 0.00 -2.50 0.00 0.00 55.73 55.04 1ggj s ARG 488 Cb -0.48 -3.53 -0.00 0.00 0.06 0.00 0.00 34.95 31.00 1ggj s ARG 488 CO 0.58 -0.24 -0.05 0.08 -2.50 0.00 0.00 175.30 173.17 1ggj s VAL 489 N 1.78 3.24 -0.04 7.11 1.01 -1.26 -5.09 120.40 127.14 1ggj s VAL 489 Ca 0.46 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1ggj s VAL 489 Cb -0.18 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1ggj s VAL 489 CO 0.18 0.40 0.04 -1.61 0.00 0.00 0.00 175.10 174.11 1ggj s GLU 490 N 1.45 0.11 0.00 2.72 2.02 -1.26 -5.13 118.70 118.61 1ggj s GLU 490 Ca 0.05 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.31 1ggj s GLU 490 Cb -0.14 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.52 1ggj s GLU 490 CO -0.04 -0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1ggj n GLY 491 N 4.99 0.95 3.94 -1.39 0.00 -1.26 -5.15 105.19 107.27 1ggj n GLY 491 Ca -0.10 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 1ggj n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ggj s ASN 492 N 0.00 6.34 -0.47 1.61 -0.87 -1.26 -5.00 114.94 115.29 1ggj s ASN 492 Ca 0.00 0.34 -0.27 0.00 -1.57 0.00 0.00 52.86 51.36 1ggj s ASN 492 Cb 0.00 -1.98 -0.03 0.00 -0.02 0.00 0.00 41.25 39.22 1ggj s ASN 492 CO 0.00 -0.13 1.94 -0.54 -2.57 0.00 0.00 177.10 175.80 1ggj s LYS 493 N -3.79 2.83 0.01 -0.60 1.02 -1.26 -4.93 119.74 113.03 1ggj s LYS 493 Ca 0.38 1.11 0.01 0.00 0.02 0.00 0.00 55.97 57.49 1ggj s LYS 493 Cb -0.10 -4.35 -0.01 0.00 -0.52 0.00 0.00 37.83 32.85 1ggj s LYS 493 CO 0.31 -2.46 -0.03 0.14 -0.92 0.00 0.00 175.35 172.39 1ggj s VAL 494 N 8.71 0.23 -0.93 3.17 -7.23 -1.26 -5.07 120.40 118.03 1ggj s VAL 494 Ca 0.78 -0.43 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 1ggj s VAL 494 Cb -0.18 -0.26 0.24 0.00 0.56 0.00 0.00 36.38 36.74 1ggj s VAL 494 CO 0.27 -0.13 0.89 -0.13 -0.31 0.00 0.00 175.10 175.69 1ggj s ARG 495 N -0.59 3.81 -0.14 4.82 0.52 -1.26 -4.98 118.95 121.13 1ggj s ARG 495 Ca -0.04 -2.74 -0.11 0.00 -0.52 0.00 0.00 55.73 52.32 1ggj s ARG 495 Cb -0.04 -4.47 0.04 0.00 0.52 0.00 0.00 34.95 31.00 1ggj s ARG 495 CO -0.00 -1.27 0.36 -2.00 0.02 0.00 0.00 175.30 172.41 1ggj s GLU 496 N -0.35 0.40 0.29 3.54 2.12 -1.26 -5.14 118.70 118.29 1ggj s GLU 496 Ca 0.22 0.56 -0.29 0.00 0.36 0.00 0.00 54.97 55.83 1ggj s GLU 496 Cb -0.10 0.14 -0.09 0.00 0.26 0.00 0.00 34.13 34.33 1ggj s GLU 496 CO -0.09 -0.08 1.03 0.50 -0.54 0.00 0.00 175.26 176.08 1ggj s ARG 497 N 0.50 4.64 0.13 4.30 6.06 -1.26 -4.98 118.95 128.34 1ggj s ARG 497 Ca -0.03 1.62 -0.31 0.00 -2.50 0.00 0.00 55.73 54.52 1ggj s ARG 497 Cb -0.04 -3.09 -0.08 0.00 0.06 0.00 0.00 34.95 31.80 1ggj s ARG 497 CO -0.03 0.27 1.31 0.45 -2.50 0.00 0.00 175.30 174.80 1ggj s SER 498 N -1.14 6.93 0.35 -2.12 0.15 -1.26 -4.89 113.70 111.71 1ggj s SER 498 Ca 0.46 2.26 0.12 0.00 0.70 0.00 0.00 55.95 59.49 1ggj s SER 498 Cb -0.27 -2.59 0.94 0.00 -1.71 0.00 0.00 66.02 62.39 1ggj s SER 498 CO 0.35 -0.55 1.76 -0.65 1.20 0.00 0.00 173.24 175.35 1ggj h PRO 499 N 6.32 0.53 -0.31 5.44 0.11 -2.00 0.21 132.00 142.30 1ggj h PRO 499 Ca -0.43 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.74 1ggj h PRO 499 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ggj h PRO 499 CO 0.82 0.35 0.24 0.66 -0.21 0.00 0.00 178.00 179.86 1ggj h SER 500 N 0.55 0.00 1.08 -2.05 4.64 -2.02 -0.47 113.55 115.27 1ggj h SER 500 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1ggj h SER 500 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ggj h SER 500 CO -0.37 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.08 1ggj n PHE 501 N -4.30 0.20 -0.61 4.77 3.01 0.74 -4.45 117.46 116.83 1ggj n PHE 501 Ca 0.05 0.06 -0.06 0.00 1.01 0.00 0.00 57.45 58.50 1ggj n PHE 501 Cb 0.41 -0.60 -0.09 0.00 -0.01 0.00 0.00 39.48 39.20 1ggj n PHE 501 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ggj n GLY 502 N 1.41 2.29 2.69 1.37 0.00 -0.19 -4.73 105.19 108.03 1ggj n GLY 502 Ca 0.07 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1ggj n GLY 502 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggj s GLU 503 N 1.29 -0.06 0.00 1.61 -6.30 -1.26 -5.06 118.70 108.92 1ggj s GLU 503 Ca 0.34 0.34 0.03 0.00 -2.50 0.00 0.00 54.97 53.18 1ggj s GLU 503 Cb 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 34.13 33.81 1ggj s GLU 503 CO 0.00 -0.30 0.24 0.66 0.02 0.00 0.00 175.26 175.88 1ggj n TYR 504 N 5.09 0.00 -0.04 5.30 4.01 -1.26 -4.85 117.16 125.41 1ggj n TYR 504 Ca -0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.64 1ggj n TYR 504 Cb 0.50 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.45 1ggj n TYR 504 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggj n TYR 505 N -0.72 0.00 -0.26 -0.72 4.01 -1.26 -4.55 117.16 113.66 1ggj n TYR 505 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1ggj n TYR 505 Cb 0.05 -0.42 0.19 0.00 -0.31 0.00 0.00 39.34 38.85 1ggj n TYR 505 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ggj h SER 506 N 0.00 0.96 -0.09 7.72 4.64 -1.89 -0.73 113.55 124.16 1ggj h SER 506 Ca -0.19 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1ggj h SER 506 Cb 1.29 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1ggj h SER 506 CO 0.01 0.72 -0.14 0.45 -0.87 0.00 0.00 176.83 177.01 1ggj h HIS 507 N 1.12 0.32 -0.61 4.77 3.86 -1.91 -1.50 115.15 121.19 1ggj h HIS 507 Ca 0.29 -0.11 0.13 0.00 -1.16 0.00 0.00 60.37 59.52 1ggj h HIS 507 Cb -0.08 -0.06 -0.11 0.00 1.06 0.00 0.00 27.41 28.23 1ggj h HIS 507 CO 0.00 0.73 -0.03 -1.35 0.86 0.00 0.00 177.93 178.14 1ggj h PRO 508 N -0.18 0.09 -0.46 2.45 0.11 -1.79 0.12 132.00 132.34 1ggj h PRO 508 Ca 0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1ggj h PRO 508 Cb 0.69 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 1ggj h PRO 508 CO 0.03 0.06 0.26 -0.09 -0.21 0.00 0.00 178.00 178.05 1ggj h ARG 509 N 0.09 0.64 -0.44 1.05 2.43 -0.99 0.87 114.38 118.03 1ggj h ARG 509 Ca 0.31 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1ggj h ARG 509 Cb 0.50 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1ggj h ARG 509 CO -0.55 0.50 0.26 1.25 -1.51 0.00 0.00 179.97 179.92 1ggj h LEU 510 N 0.61 0.42 0.04 3.80 5.85 -0.13 0.91 115.31 126.80 1ggj h LEU 510 Ca 0.16 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ggj h LEU 510 Cb 0.04 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1ggj h LEU 510 CO -0.03 0.30 -0.02 0.15 -0.34 0.00 0.00 178.44 178.51 1ggj h PHE 511 N 0.52 -0.04 -0.23 1.25 3.04 -0.60 -1.69 116.94 119.19 1ggj h PHE 511 Ca 0.17 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.17 1ggj h PHE 511 Cb 0.01 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.49 1ggj h PHE 511 CO -0.07 -0.01 -0.06 2.35 -2.02 0.00 0.00 178.31 178.50 1ggj h TRP 512 N -0.06 -0.14 0.00 0.41 2.91 -0.34 -1.84 115.95 116.88 1ggj h TRP 512 Ca -0.00 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 1ggj h TRP 512 Cb 0.05 0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1ggj h TRP 512 CO -0.07 -0.11 -0.02 -0.07 -1.03 0.00 0.00 178.44 177.14 1ggj h LEU 513 N -0.01 0.00 -0.21 0.65 3.38 -0.72 -2.63 115.31 115.77 1ggj h LEU 513 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ggj h LEU 513 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ggj h LEU 513 CO -0.24 0.02 -0.17 -1.20 0.09 0.00 0.00 178.44 176.94 1ggj n SER 514 N -3.14 0.49 -4.87 -0.43 7.64 -0.65 -4.86 113.62 107.81 1ggj n SER 514 Ca -0.01 -0.45 -0.30 0.00 1.01 0.00 0.00 58.87 59.12 1ggj n SER 514 Cb 0.23 -0.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1ggj n SER 514 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1ggj s GLN 515 N -2.61 3.79 0.93 1.43 -1.52 -0.99 -4.18 119.66 116.51 1ggj s GLN 515 Ca 0.24 0.46 -0.12 0.00 -1.95 0.00 0.00 55.36 53.99 1ggj s GLN 515 Cb 0.19 -2.42 0.15 0.00 -0.22 0.00 0.00 33.01 30.72 1ggj s GLN 515 CO 0.52 0.01 1.10 0.95 -0.25 0.00 0.00 175.29 177.61 1ggj s THR 516 N -2.30 2.41 0.22 -0.19 -4.23 -1.26 -4.75 115.64 105.53 1ggj s THR 516 Ca 0.51 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.07 1ggj s THR 516 Cb -0.10 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.23 1ggj s THR 516 CO 0.30 -0.17 1.82 -0.65 -0.54 0.00 0.00 174.62 175.38 1ggj h PRO 517 N -1.64 0.76 -0.07 3.99 0.11 -1.97 0.15 132.00 133.33 1ggj h PRO 517 Ca -0.51 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.41 1ggj h PRO 517 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1ggj h PRO 517 CO 0.57 0.50 -0.57 0.27 -0.21 0.00 0.00 178.00 178.57 1ggj h PHE 518 N 0.79 0.27 -0.53 0.65 -0.00 -1.97 -2.00 116.94 114.15 1ggj h PHE 518 Ca 0.32 -0.10 -0.12 0.00 -0.00 0.00 0.00 57.97 58.07 1ggj h PHE 518 Cb 0.16 -0.05 -0.02 0.00 -0.00 0.00 0.00 35.95 36.04 1ggj h PHE 518 CO -0.06 0.73 -0.13 0.93 -0.00 0.00 0.00 178.31 179.78 1ggj h GLU 519 N 0.16 1.02 -0.54 6.09 5.08 -1.72 -0.77 114.58 123.90 1ggj h GLU 519 Ca -0.00 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ggj h GLU 519 Cb 1.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 1ggj h GLU 519 CO 0.09 1.07 0.34 1.96 -1.00 0.00 0.00 179.01 181.47 1ggj h GLN 520 N 0.90 0.73 -0.81 2.33 4.20 -0.83 -1.37 115.11 120.25 1ggj h GLN 520 Ca 0.13 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1ggj h GLN 520 Cb 0.70 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1ggj h GLN 520 CO 0.05 0.51 0.52 -0.09 -0.67 0.00 0.00 178.83 179.16 1ggj h ARG 521 N 0.73 1.09 -0.14 1.46 2.43 -1.15 0.20 114.38 119.01 1ggj h ARG 521 Ca 0.20 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1ggj h ARG 521 Cb -0.04 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1ggj h ARG 521 CO -0.04 0.74 -0.35 0.45 -1.51 0.00 0.00 179.97 179.26 1ggj h HIS 522 N 1.11 0.32 0.16 2.20 3.86 -0.82 -0.18 115.15 121.80 1ggj h HIS 522 Ca 0.30 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1ggj h HIS 522 Cb -0.09 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1ggj h HIS 522 CO -0.01 0.60 -0.08 0.82 0.86 0.00 0.00 177.93 180.12 1ggj h ILE 523 N 0.24 0.94 -0.50 2.45 2.04 -0.36 0.25 117.51 122.57 1ggj h ILE 523 Ca 0.03 -0.52 0.10 0.00 1.00 0.00 0.00 64.86 65.47 1ggj h ILE 523 Cb 0.74 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.99 1ggj h ILE 523 CO 0.06 0.12 -0.11 0.58 0.00 0.00 0.00 178.15 178.80 1ggj h VAL 524 N -0.47 0.51 -0.83 1.67 2.07 -0.77 -0.66 116.25 117.78 1ggj h VAL 524 Ca -0.02 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ggj h VAL 524 Cb 0.37 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1ggj h VAL 524 CO 0.04 0.00 0.42 0.44 0.02 0.00 0.00 177.57 178.49 1ggj h ASP 525 N 0.02 1.06 0.66 0.57 3.32 -0.90 -0.16 116.42 120.99 1ggj h ASP 525 Ca 0.24 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1ggj h ASP 525 Cb 0.37 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1ggj h ASP 525 CO -0.51 0.87 -0.45 1.23 -1.72 0.00 0.00 179.24 178.66 1ggj h GLY 526 N 1.19 -1.20 0.48 2.75 0.00 0.90 0.05 103.07 107.23 1ggj h GLY 526 Ca 0.29 0.51 0.08 0.00 0.00 0.00 0.00 47.33 48.21 1ggj h GLY 526 CO -0.04 -0.40 0.24 0.74 0.00 0.00 0.00 176.54 177.07 1ggj h PHE 527 N -1.07 0.42 -0.29 5.60 0.04 -1.04 -1.59 116.94 119.02 1ggj h PHE 527 Ca -0.08 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ggj h PHE 527 Cb 0.88 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 1ggj h PHE 527 CO -0.14 0.14 0.16 0.77 -0.60 0.00 0.00 178.31 178.64 1ggj h SER 528 N 0.44 0.36 0.14 2.17 0.02 -0.93 -0.72 113.55 115.03 1ggj h SER 528 Ca 0.28 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1ggj h SER 528 Cb 0.31 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1ggj h SER 528 CO -0.26 0.33 -0.07 0.15 -1.14 0.00 0.00 176.83 175.84 1ggj h PHE 529 N 0.36 -0.17 -0.18 3.45 3.04 -0.70 -2.07 116.94 120.66 1ggj h PHE 529 Ca 0.10 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.06 1ggj h PHE 529 Cb 0.05 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 1ggj h PHE 529 CO -0.03 -0.06 0.10 0.93 -2.02 0.00 0.00 178.31 177.23 1ggj h GLU 530 N -0.24 0.21 0.00 1.11 4.39 -1.21 -2.95 114.58 115.88 1ggj h GLU 530 Ca -0.02 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1ggj h GLU 530 Cb 0.19 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1ggj h GLU 530 CO 0.03 0.14 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.71 1ggj h LEU 531 N 0.21 0.00 -1.49 1.33 3.38 -1.13 -1.26 115.31 116.36 1ggj h LEU 531 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1ggj h LEU 531 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ggj h LEU 531 CO -0.03 0.24 0.15 0.28 0.09 0.00 0.00 178.44 179.17 1ggj h SER 532 N 0.00 0.44 0.28 -0.43 0.02 -1.20 -1.62 113.55 111.04 1ggj h SER 532 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1ggj h SER 532 Cb 0.56 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ggj h SER 532 CO 0.03 0.40 -0.04 0.29 -1.14 0.00 0.00 176.83 176.37 1ggj n LYS 533 N -4.40 0.78 -2.80 3.45 5.02 -0.48 -4.75 118.16 114.98 1ggj n LYS 533 Ca 0.02 -0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 55.73 1ggj n LYS 533 Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1ggj n LYS 533 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ggj s VAL 534 N -2.32 4.73 0.17 -0.18 1.01 -0.61 -4.55 120.40 118.65 1ggj s VAL 534 Ca 0.35 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.95 1ggj s VAL 534 Cb 0.21 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 1ggj s VAL 534 CO 0.43 -0.20 1.41 0.58 0.00 0.00 0.00 175.10 177.32 1ggj h VAL 535 N 5.52 1.39 -3.64 2.92 2.07 -1.85 -3.42 116.25 119.23 1ggj h VAL 535 Ca -0.22 -2.20 -0.61 0.00 0.82 0.00 0.00 66.70 64.50 1ggj h VAL 535 Cb 1.08 2.17 -0.11 0.00 -1.52 0.00 0.00 31.29 32.90 1ggj h VAL 535 CO 0.93 0.66 0.52 -0.13 0.02 0.00 0.00 177.57 179.57 1ggj s ARG 536 N -3.55 3.52 0.40 1.57 0.52 -1.26 -4.94 118.95 115.20 1ggj s ARG 536 Ca -0.06 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.33 1ggj s ARG 536 Cb 0.10 -3.92 0.81 0.00 0.52 0.00 0.00 34.95 32.46 1ggj s ARG 536 CO 0.84 -1.18 2.04 -1.35 0.02 0.00 0.00 175.30 175.68 1ggj h PRO 537 N 9.01 0.61 -0.10 3.54 0.11 -1.98 -1.48 132.00 141.71 1ggj h PRO 537 Ca -0.24 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1ggj h PRO 537 Cb 1.08 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ggj h PRO 537 CO 1.01 0.40 -0.05 0.10 -0.21 0.00 0.00 178.00 179.25 1ggj h TYR 538 N 0.63 0.14 -0.44 0.65 -0.00 -1.97 -1.22 116.97 114.76 1ggj h TYR 538 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.87 1ggj h TYR 538 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 36.62 1ggj h TYR 538 CO -0.00 0.20 0.17 0.82 -0.00 0.00 0.00 178.16 179.35 1ggj h ILE 539 N 0.14 1.21 -0.66 -0.90 2.04 -1.68 -1.65 117.51 116.01 1ggj h ILE 539 Ca 0.03 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ggj h ILE 539 Cb 0.19 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1ggj h ILE 539 CO 0.01 0.24 0.43 0.03 0.00 0.00 0.00 178.15 178.86 1ggj h ARG 540 N 0.57 0.85 -0.64 2.37 3.08 -1.25 -1.96 114.38 117.40 1ggj h ARG 540 Ca 0.15 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1ggj h ARG 540 Cb 0.21 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 1ggj h ARG 540 CO -0.01 0.57 0.35 0.93 -1.07 0.00 0.00 179.97 180.74 1ggj h GLU 541 N 0.88 0.90 -0.40 0.04 5.08 -1.28 -1.40 114.58 118.40 1ggj h GLU 541 Ca 0.25 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1ggj h GLU 541 Cb -0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1ggj h GLU 541 CO -0.06 0.68 -0.06 0.00 -1.00 0.00 0.00 179.01 178.57 1ggj h ARG 542 N 0.88 0.67 -0.28 2.33 3.08 -0.96 -0.64 114.38 119.46 1ggj h ARG 542 Ca 0.23 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 1ggj h ARG 542 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ggj h ARG 542 CO -0.04 0.73 -0.43 0.28 -1.07 0.00 0.00 179.97 179.44 1ggj h VAL 543 N 0.62 1.29 -0.39 2.04 2.07 -1.16 -1.96 116.25 118.77 1ggj h VAL 543 Ca 0.12 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1ggj h VAL 543 Cb 0.48 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1ggj h VAL 543 CO 0.02 0.52 0.18 0.58 0.02 0.00 0.00 177.57 178.90 1ggj h VAL 544 N 0.55 1.13 -0.49 2.57 2.07 -0.96 0.24 116.25 121.37 1ggj h VAL 544 Ca 0.03 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1ggj h VAL 544 Cb 1.03 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1ggj h VAL 544 CO 0.10 0.15 0.11 -0.78 0.02 0.00 0.00 177.57 177.17 1ggj h ASP 545 N 0.54 0.75 -0.57 0.57 1.82 -0.83 -0.96 116.42 117.73 1ggj h ASP 545 Ca 0.14 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.53 1ggj h ASP 545 Cb 0.06 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 39.84 1ggj h ASP 545 CO -0.02 0.79 0.34 1.56 -1.61 0.00 0.00 179.24 180.30 1ggj h GLN 546 N 0.67 0.78 -0.20 0.28 1.08 -0.43 -2.05 115.11 115.24 1ggj h GLN 546 Ca 0.15 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1ggj h GLN 546 Cb 0.35 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1ggj h GLN 546 CO 0.00 0.57 0.14 -0.07 -0.95 0.00 0.00 178.83 178.52 1ggj h LEU 547 N 0.77 0.16 -1.91 1.46 3.38 -0.37 0.24 115.31 119.05 1ggj h LEU 547 Ca 0.20 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ggj h LEU 547 Cb -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ggj h LEU 547 CO -0.04 0.12 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 1ggj h ALA 548 N 1.88 1.03 0.00 1.53 0.00 -0.45 -0.96 119.26 122.30 1ggj h ALA 548 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ggj h ALA 548 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ggj h ALA 548 CO -0.02 0.03 -0.12 0.72 0.00 0.00 0.00 179.25 179.86 1ggj n HIS 549 N -3.16 0.12 -0.10 0.00 8.25 0.07 -4.18 115.22 116.22 1ggj n HIS 549 Ca -0.01 0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1ggj n HIS 549 Cb 0.24 -0.50 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 1ggj n HIS 549 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ggj n ILE 550 N -1.60 1.49 -3.65 1.59 5.41 -0.49 -4.11 119.36 118.00 1ggj n ILE 550 Ca 0.06 0.04 -0.06 0.00 1.00 0.00 0.00 62.75 63.80 1ggj n ILE 550 Cb 0.35 -2.25 -0.07 0.00 -0.71 0.00 0.00 39.64 36.97 1ggj n ILE 550 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ggj s ASP 551 N -6.25 -0.94 0.20 4.38 -1.08 -0.49 -4.67 116.67 107.83 1ggj s ASP 551 Ca -0.28 1.46 -0.11 0.00 -0.52 0.00 0.00 52.55 53.11 1ggj s ASP 551 Cb 0.06 1.57 0.17 0.00 -1.46 0.00 0.00 42.92 43.25 1ggj s ASP 551 CO 0.41 -0.23 1.85 0.25 0.52 0.00 0.00 175.17 177.97 1ggj h LEU 552 N 7.30 0.71 -0.27 -1.34 7.12 -1.80 -0.96 115.31 126.08 1ggj h LEU 552 Ca -0.27 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.73 1ggj h LEU 552 Cb 1.19 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.15 1ggj h LEU 552 CO 0.15 0.50 0.16 0.74 -0.13 0.00 0.00 178.44 179.87 1ggj h THR 553 N 0.85 1.10 -0.01 1.05 2.02 -1.96 0.23 112.91 116.18 1ggj h THR 553 Ca 0.27 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ggj h THR 553 Cb -0.00 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1ggj h THR 553 CO -0.10 0.10 0.01 0.25 0.37 0.00 0.00 175.52 176.15 1ggj h LEU 554 N 0.34 0.02 -0.03 2.58 5.85 -1.87 -1.68 115.31 120.52 1ggj h LEU 554 Ca 0.10 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1ggj h LEU 554 Cb 0.02 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1ggj h LEU 554 CO -0.02 0.04 -0.03 0.00 -0.34 0.00 0.00 178.44 178.10 1ggj h ALA 555 N 0.97 -0.00 -0.62 1.25 0.00 -0.98 -1.53 119.26 118.35 1ggj h ALA 555 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ggj h ALA 555 Cb 0.03 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ggj h ALA 555 CO -0.00 -0.52 0.41 1.96 0.00 0.00 0.00 179.25 181.10 1ggj h GLN 556 N -0.04 0.82 -0.67 0.00 4.20 -0.49 -0.17 115.11 118.75 1ggj h GLN 556 Ca 0.02 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1ggj h GLN 556 Cb 0.07 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1ggj h GLN 556 CO -0.05 0.54 0.11 0.00 -0.67 0.00 0.00 178.83 178.76 1ggj h ALA 557 N 1.23 0.93 -0.20 3.87 0.00 -1.15 0.00 119.26 123.94 1ggj h ALA 557 Ca 0.23 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1ggj h ALA 557 Cb -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1ggj h ALA 557 CO -0.05 0.67 -0.29 0.28 0.00 0.00 0.00 179.25 179.86 1ggj h VAL 558 N 1.04 1.33 -0.97 0.00 2.07 -1.15 -3.01 116.25 115.56 1ggj h VAL 558 Ca 0.21 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1ggj h VAL 558 Cb 0.43 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.98 1ggj h VAL 558 CO 0.01 0.46 0.63 0.00 0.02 0.00 0.00 177.57 178.69 1ggj h ALA 559 N 0.62 1.30 -0.16 1.67 0.00 -0.86 -2.03 119.26 119.80 1ggj h ALA 559 Ca 0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1ggj h ALA 559 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ggj h ALA 559 CO 0.07 0.48 -0.33 -0.22 0.00 0.00 0.00 179.25 179.25 1ggj h LYS 560 N 1.19 0.31 0.00 0.00 3.64 -0.96 0.16 116.57 120.91 1ggj h LYS 560 Ca 0.40 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ggj h LYS 560 Cb 0.06 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1ggj h LYS 560 CO -0.14 0.61 0.00 -0.91 -2.27 0.00 0.00 179.45 176.74 1ggj h ASN 561 N 0.27 0.00 -0.27 4.20 2.35 -1.25 -2.79 115.58 118.08 1ggj h ASN 561 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1ggj h ASN 561 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 1ggj h ASN 561 CO 0.05 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.01 1ggj n LEU 562 N -2.65 3.24 -1.37 1.61 4.32 -0.76 -4.95 117.00 116.44 1ggj n LEU 562 Ca 0.02 -1.37 -0.14 0.00 -0.02 0.00 0.00 56.01 54.51 1ggj n LEU 562 Cb 0.33 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 41.93 1ggj n LEU 562 CO 0.26 0.66 -0.16 0.61 -1.22 0.00 0.00 177.39 177.54 1ggj n GLY 563 N 1.37 0.44 3.70 -0.72 0.00 -0.92 -4.99 105.19 104.07 1ggj n GLY 563 Ca 0.17 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1ggj n GLY 563 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 564 N -2.62 4.38 -0.25 -0.61 1.01 -0.03 -5.02 121.20 118.06 1ggj s ILE 564 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1ggj s ILE 564 Cb 0.00 -2.87 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1ggj s ILE 564 CO 0.00 0.57 0.05 -1.61 0.00 0.00 0.00 174.94 173.95 1ggj s GLU 565 N -1.02 3.52 0.54 2.79 0.41 -1.26 -3.97 118.70 119.70 1ggj s GLU 565 Ca 0.15 -0.56 -0.21 0.00 -0.41 0.00 0.00 54.97 53.93 1ggj s GLU 565 Cb -0.11 -3.27 -0.05 0.00 -1.78 0.00 0.00 34.13 28.91 1ggj s GLU 565 CO 0.04 -0.23 1.24 -0.51 -0.49 0.00 0.00 175.26 175.31 1ggj s LEU 566 N 1.57 3.83 0.72 1.80 2.01 -1.26 -4.99 118.68 122.36 1ggj s LEU 566 Ca 0.06 2.48 -0.10 0.00 0.01 0.00 0.00 54.13 56.58 1ggj s LEU 566 Cb -0.15 -4.39 0.05 0.00 0.01 0.00 0.00 46.19 41.71 1ggj s LEU 566 CO 0.02 -1.37 1.07 0.42 1.01 0.00 0.00 176.35 177.50 1ggj s THR 567 N -1.49 2.74 0.13 5.49 -4.23 -1.26 -4.89 115.64 112.14 1ggj s THR 567 Ca 0.71 0.07 -0.32 0.00 -1.18 0.00 0.00 61.69 60.97 1ggj s THR 567 Cb -0.33 -3.21 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 1ggj s THR 567 CO 0.38 -0.25 1.54 -2.24 -0.54 0.00 0.00 174.62 173.50 1ggj h ASP 568 N -0.70 -1.89 -0.83 3.99 2.03 -1.99 -0.31 116.42 116.72 1ggj h ASP 568 Ca -0.45 0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 1ggj h ASP 568 Cb 1.29 0.78 -0.04 0.00 -0.83 0.00 0.00 39.33 40.54 1ggj h ASP 568 CO 0.63 -0.37 0.52 0.44 -1.03 0.00 0.00 179.24 179.44 1ggj h ASP 569 N -0.32 0.98 -0.72 4.15 3.32 -1.98 -2.72 116.42 119.13 1ggj h ASP 569 Ca 0.09 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1ggj h ASP 569 Cb 0.55 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1ggj h ASP 569 CO -0.64 0.74 0.30 1.56 -1.72 0.00 0.00 179.24 179.48 1ggj h GLN 570 N 1.13 1.09 0.00 3.56 4.20 -1.74 -2.05 115.11 121.31 1ggj h GLN 570 Ca 0.30 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1ggj h GLN 570 Cb -0.08 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 1ggj h GLN 570 CO -0.06 0.88 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.81 1ggj h LEU 571 N 1.07 0.00 -1.08 1.46 4.07 -0.80 -2.82 115.31 117.21 1ggj h LEU 571 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1ggj h LEU 571 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1ggj h LEU 571 CO -0.02 0.10 -0.24 0.59 -1.08 0.00 0.00 178.44 177.79 1ggj n ASN 572 N -3.71 1.92 -4.67 -0.43 3.02 -0.81 -4.95 115.26 105.63 1ggj n ASN 572 Ca -0.02 -1.47 -0.42 0.00 -0.03 0.00 0.00 54.58 52.64 1ggj n ASN 572 Cb 0.21 0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1ggj n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ggj s ILE 573 N -2.30 2.82 0.12 2.41 1.01 -1.00 -4.92 121.20 119.34 1ggj s ILE 573 Ca 0.25 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 1ggj s ILE 573 Cb 0.19 -3.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.55 1ggj s ILE 573 CO 0.46 -0.00 1.35 -0.89 0.00 0.00 0.00 174.94 175.85 1ggj s THR 574 N 3.67 3.41 0.77 2.92 2.01 -1.26 -4.96 115.64 122.20 1ggj s THR 574 Ca 0.85 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.73 1ggj s THR 574 Cb -0.44 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.46 1ggj s THR 574 CO 0.39 0.09 1.15 -0.81 -0.69 0.00 0.00 174.62 174.75 1ggj n PRO 575 N 3.77 0.38 -1.24 4.92 -0.04 -1.26 -4.98 135.00 136.55 1ggj n PRO 575 Ca 0.10 0.20 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 1ggj n PRO 575 Cb 0.43 -2.39 0.10 0.00 -0.04 0.00 0.00 33.50 31.59 1ggj n PRO 575 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ggj s PRO 576 N -3.83 2.17 0.62 0.54 0.04 -1.26 -5.01 135.00 128.27 1ggj s PRO 576 Ca 0.74 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 1ggj s PRO 576 Cb -0.31 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1ggj s PRO 576 CO 0.49 -1.72 1.09 -1.25 0.04 0.00 0.00 177.00 175.65 1ggj s PRO 577 N -4.80 3.08 0.89 0.56 0.04 -1.26 -4.93 135.00 128.58 1ggj s PRO 577 Ca 0.62 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.89 1ggj s PRO 577 Cb -0.18 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.50 1ggj s PRO 577 CO 0.55 -1.02 1.16 -0.51 0.04 0.00 0.00 177.00 177.22 1ggj s ASP 578 N -2.57 3.08 -0.58 6.66 -0.00 -1.26 -4.71 116.67 117.28 1ggj s ASP 578 Ca 0.66 2.24 -0.22 0.00 -0.00 0.00 0.00 52.55 55.23 1ggj s ASP 578 Cb -0.19 -2.57 0.06 0.00 -0.00 0.00 0.00 42.92 40.22 1ggj s ASP 578 CO 0.38 -3.00 0.84 -0.69 -0.00 0.00 0.00 175.17 172.70 1ggj s VAL 579 N -2.52 4.54 -1.46 -1.27 1.01 -1.20 -4.27 120.40 115.23 1ggj s VAL 579 Ca 0.68 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 1ggj s VAL 579 Cb -0.24 -4.52 0.05 0.00 0.00 0.00 0.00 36.38 31.67 1ggj s VAL 579 CO 0.56 -1.14 0.67 0.59 0.00 0.00 0.00 175.10 175.78 1ggj n ASN 580 N 7.09 -2.01 0.00 3.32 4.13 -1.26 -1.55 115.26 124.98 1ggj n ASN 580 Ca -0.03 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1ggj n ASN 580 Cb 0.46 -3.42 0.00 0.00 -1.54 0.00 0.00 39.78 35.28 1ggj n ASN 580 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggj n GLY 581 N -1.72 1.83 3.72 7.41 0.00 -1.26 -5.02 105.19 110.15 1ggj n GLY 581 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1ggj n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ggj s LEU 582 N 0.00 4.41 0.00 0.99 1.43 -0.60 -4.93 118.68 119.98 1ggj s LEU 582 Ca 0.00 1.62 0.16 0.00 -1.03 0.00 0.00 54.13 54.88 1ggj s LEU 582 Cb 0.00 -3.48 0.45 0.00 0.03 0.00 0.00 46.19 43.19 1ggj s LEU 582 CO 0.00 -0.16 1.37 2.29 0.23 0.00 0.00 176.35 180.08 1ggj n LYS 583 N 3.47 2.77 0.00 1.70 0.00 -1.26 -3.21 118.16 121.63 1ggj n LYS 583 Ca 0.03 -2.30 0.00 0.00 -0.00 0.00 0.00 58.31 56.04 1ggj n LYS 583 Cb 0.50 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 1ggj n LYS 583 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ggj n LYS 584 N 1.02 0.00 -3.32 -1.58 2.85 -1.26 -4.71 118.16 111.16 1ggj n LYS 584 Ca 0.17 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.34 1ggj n LYS 584 Cb 0.51 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.82 1ggj n LYS 584 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ggj s ASP 585 N 0.00 0.29 0.59 -5.58 3.68 -1.26 -4.99 116.67 109.39 1ggj s ASP 585 Ca 0.00 -0.04 0.28 0.00 2.13 0.00 0.00 52.55 54.92 1ggj s ASP 585 Cb 0.00 1.13 1.57 0.00 -1.45 0.00 0.00 42.92 44.17 1ggj s ASP 585 CO 0.00 -0.32 2.02 -0.65 0.13 0.00 0.00 175.17 176.34 1ggj h PRO 586 N 8.17 0.00 0.00 4.34 0.11 -1.97 -0.86 132.00 141.79 1ggj h PRO 586 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1ggj h PRO 586 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ggj h PRO 586 CO 0.27 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 1ggj n SER 587 N -3.80 0.00 0.05 -2.05 3.41 -1.26 -1.91 113.62 108.07 1ggj n SER 587 Ca 0.05 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1ggj n SER 587 Cb 0.47 -0.47 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1ggj n SER 587 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ggj n LEU 588 N -1.47 0.65 -4.85 1.04 4.77 -0.33 -4.85 117.00 111.97 1ggj n LEU 588 Ca 0.03 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 1ggj n LEU 588 Cb 0.13 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1ggj n LEU 588 CO 0.10 -0.03 0.36 -0.55 -1.33 0.00 0.00 177.39 175.94 1ggj s SER 589 N -4.02 6.81 0.13 -1.43 0.15 -0.80 -4.92 113.70 109.63 1ggj s SER 589 Ca 0.07 1.21 -0.06 0.00 0.70 0.00 0.00 55.95 57.88 1ggj s SER 589 Cb 0.14 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 62.03 1ggj s SER 589 CO 0.71 -0.09 1.33 -0.07 1.20 0.00 0.00 173.24 176.32 1ggj h LEU 590 N 2.71 0.62 0.00 3.45 3.38 -1.89 -3.41 115.31 120.18 1ggj h LEU 590 Ca -0.48 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1ggj h LEU 590 Cb 1.18 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ggj h LEU 590 CO 0.66 1.24 -0.12 -1.22 0.09 0.00 0.00 178.44 179.09 1ggj n TYR 591 N -3.81 0.00 -0.29 1.13 4.01 -1.26 -4.72 117.16 112.22 1ggj n TYR 591 Ca -0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.78 1ggj n TYR 591 Cb 0.79 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 40.08 1ggj n TYR 591 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ggj h ALA 592 N 0.00 1.26 -3.21 -0.72 0.00 -1.85 -3.35 119.26 111.40 1ggj h ALA 592 Ca 0.00 0.17 -0.67 0.00 0.00 0.00 0.00 54.91 54.41 1ggj h ALA 592 Cb 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 17.79 17.68 1ggj h ALA 592 CO 0.00 -0.34 -0.71 0.42 0.00 0.00 0.00 179.25 178.62 1ggj s ILE 593 N -5.94 3.19 0.06 0.00 1.01 -1.26 -5.09 121.20 113.17 1ggj s ILE 593 Ca -0.12 -0.94 -0.38 0.00 0.00 0.00 0.00 60.65 59.21 1ggj s ILE 593 Cb 0.24 -2.64 -0.18 0.00 0.01 0.00 0.00 42.46 39.90 1ggj s ILE 593 CO 0.77 0.16 1.25 -2.65 0.00 0.00 0.00 174.94 174.47 1ggj n PRO 594 N 4.72 0.80 -0.16 2.79 -0.02 -1.26 -4.88 135.00 136.99 1ggj n PRO 594 Ca -0.16 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ggj n PRO 594 Cb 0.47 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1ggj n PRO 594 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ggj n ASP 595 N 2.20 0.00 -4.77 2.55 5.75 -1.26 -5.14 116.55 115.88 1ggj n ASP 595 Ca 0.19 -1.05 -0.40 0.00 -0.01 0.00 0.00 54.79 53.52 1ggj n ASP 595 Cb 0.16 -0.01 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 1ggj n ASP 595 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1ggj s GLY 596 N -0.05 2.93 -0.11 6.12 0.00 -1.25 -4.19 107.32 110.78 1ggj s GLY 596 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 44.72 46.18 1ggj s GLY 596 CO 0.00 2.08 -0.11 -0.35 0.00 0.00 0.00 173.10 174.72 1ggj s ASP 597 N -0.43 2.20 0.08 1.64 2.15 -1.23 -4.90 116.67 116.18 1ggj s ASP 597 Ca 0.57 -0.35 0.25 0.00 0.43 0.00 0.00 52.55 53.45 1ggj s ASP 597 Cb -0.43 -0.94 0.54 0.00 -0.30 0.00 0.00 42.92 41.79 1ggj s ASP 597 CO 0.57 -0.04 1.47 1.33 -0.17 0.00 0.00 175.17 178.32 1ggj n VAL 598 N 4.48 0.25 -1.79 1.11 0.24 -1.26 -4.80 118.33 116.55 1ggj n VAL 598 Ca -0.17 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 1ggj n VAL 598 Cb 0.51 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 1ggj n VAL 598 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ggj s LYS 599 N -3.10 4.16 0.00 7.34 2.20 -1.25 -1.50 119.74 127.59 1ggj s LYS 599 Ca 0.09 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1ggj s LYS 599 Cb 0.15 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1ggj s LYS 599 CO 0.68 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 1ggj n GLY 600 N 4.24 1.78 3.68 5.54 0.00 0.03 -4.99 105.19 115.46 1ggj n GLY 600 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ggj n GLY 600 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggj s ARG 601 N -0.91 -0.03 -0.01 1.61 1.81 -0.56 -4.77 118.95 116.08 1ggj s ARG 601 Ca 0.00 0.24 0.02 0.00 -1.72 0.00 0.00 55.73 54.27 1ggj s ARG 601 Cb 0.00 -1.71 0.00 0.00 -0.45 0.00 0.00 34.95 32.79 1ggj s ARG 601 CO 0.00 -2.98 -0.06 0.08 -0.68 0.00 0.00 175.30 171.66 1ggj s VAL 602 N -3.07 0.51 -0.09 3.52 1.01 -1.26 -0.68 120.40 120.35 1ggj s VAL 602 Ca 0.67 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1ggj s VAL 602 Cb -0.15 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1ggj s VAL 602 CO 0.56 0.16 -0.11 -0.69 0.00 0.00 0.00 175.10 175.02 1ggj s VAL 603 N 0.12 3.28 -0.08 2.92 1.01 0.63 -0.89 120.40 127.40 1ggj s VAL 603 Ca -0.01 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 1ggj s VAL 603 Cb -0.06 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1ggj s VAL 603 CO -0.00 0.56 0.60 0.00 0.00 0.00 0.00 175.10 176.26 1ggj s ALA 604 N -0.28 3.41 -0.28 5.51 0.00 -0.41 -1.24 121.76 128.47 1ggj s ALA 604 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1ggj s ALA 604 Cb -0.13 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.22 1ggj s ALA 604 CO 0.03 -0.03 -0.02 0.42 0.00 0.00 0.00 175.76 176.16 1ggj s ILE 605 N 0.60 2.95 -0.43 0.00 1.01 0.09 -0.31 121.20 125.12 1ggj s ILE 605 Ca 0.32 -1.24 -0.25 0.00 0.00 0.00 0.00 60.65 59.48 1ggj s ILE 605 Cb -0.17 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1ggj s ILE 605 CO 0.15 0.01 0.89 -0.76 0.00 0.00 0.00 174.94 175.23 1ggj s LEU 606 N 1.28 4.04 0.68 2.97 1.43 -0.21 -1.14 118.68 127.74 1ggj s LEU 606 Ca -0.03 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1ggj s LEU 606 Cb -0.19 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.91 1ggj s LEU 606 CO -0.02 -0.95 1.01 -0.76 0.23 0.00 0.00 176.35 175.85 1ggj s LEU 607 N 3.56 2.91 0.27 1.79 1.43 -0.23 -4.01 118.68 124.40 1ggj s LEU 607 Ca 0.36 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1ggj s LEU 607 Cb -0.11 -3.33 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1ggj s LEU 607 CO 0.23 -1.45 0.18 0.54 0.23 0.00 0.00 176.35 176.08 1ggj s ASN 608 N -4.45 1.01 0.00 2.29 2.20 -1.26 -4.84 114.94 109.89 1ggj s ASN 608 Ca 0.58 -1.54 0.28 0.00 -0.94 0.00 0.00 52.86 51.25 1ggj s ASN 608 Cb -0.11 0.42 1.23 0.00 -2.00 0.00 0.00 41.25 40.79 1ggj s ASN 608 CO 0.46 -0.91 1.90 -0.90 -2.94 0.00 0.00 177.10 174.72 1ggj n ASP 609 N -0.81 0.00 -3.21 3.54 3.85 -1.26 -4.01 116.55 114.66 1ggj n ASP 609 Ca 0.03 0.39 -0.24 0.00 -0.71 0.00 0.00 54.79 54.26 1ggj n ASP 609 Cb 0.65 -0.46 -0.07 0.00 -1.35 0.00 0.00 41.12 39.89 1ggj n ASP 609 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1ggj n GLU 610 N -1.46 0.94 -2.12 0.11 4.07 -1.26 -4.14 120.64 116.79 1ggj n GLU 610 Ca 0.08 -3.39 -0.41 0.00 -0.06 0.00 0.00 57.16 53.38 1ggj n GLU 610 Cb 0.31 -1.38 -0.02 0.00 -0.06 0.00 0.00 31.44 30.28 1ggj n GLU 610 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ggj s VAL 611 N -1.50 2.75 -0.85 6.31 1.01 -1.26 -2.67 120.40 124.20 1ggj s VAL 611 Ca 0.36 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 1ggj s VAL 611 Cb 0.19 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1ggj s VAL 611 CO -0.10 0.17 1.97 -0.13 0.00 0.00 0.00 175.10 177.01 1ggj s ARG 612 N -1.53 2.49 0.59 2.72 3.00 -0.51 -1.82 118.95 123.89 1ggj s ARG 612 Ca 0.50 -0.10 0.30 0.00 0.00 0.00 0.00 55.73 56.44 1ggj s ARG 612 Cb -0.40 -4.95 1.28 0.00 0.00 0.00 0.00 34.95 30.89 1ggj s ARG 612 CO 0.51 -3.36 1.63 0.66 0.00 0.00 0.00 175.30 174.73 1ggj h SER 613 N 11.98 0.00 0.02 0.23 4.64 -1.91 0.14 113.55 128.65 1ggj h SER 613 Ca 0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 1ggj h SER 613 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1ggj h SER 613 CO 1.20 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 176.70 1ggj h ALA 614 N 1.05 0.82 0.89 5.18 0.00 -1.99 -2.54 119.26 122.68 1ggj h ALA 614 Ca 0.41 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ggj h ALA 614 Cb 2.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.86 1ggj h ALA 614 CO -0.00 0.66 -0.43 -0.44 0.00 0.00 0.00 179.25 179.04 1ggj h ASP 615 N 0.42 -1.01 -0.37 0.00 3.45 -0.99 -2.65 116.42 115.27 1ggj h ASP 615 Ca 0.03 0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.58 1ggj h ASP 615 Cb 0.97 0.26 -0.09 0.00 -0.56 0.00 0.00 39.33 39.91 1ggj h ASP 615 CO 0.09 -0.69 -0.45 -0.07 -1.57 0.00 0.00 179.24 176.54 1ggj h LEU 616 N -1.26 -1.50 -0.77 1.55 3.38 -1.59 0.16 115.31 115.28 1ggj h LEU 616 Ca -0.12 0.22 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1ggj h LEU 616 Cb 0.92 0.64 -0.12 0.00 0.09 0.00 0.00 40.66 42.18 1ggj h LEU 616 CO 0.20 -0.38 -0.45 -0.07 0.09 0.00 0.00 178.44 177.83 1ggj h LEU 617 N -0.36 -1.60 -0.45 1.67 3.38 -1.48 0.34 115.31 116.82 1ggj h LEU 617 Ca 0.12 0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.39 1ggj h LEU 617 Cb 0.59 0.75 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1ggj h LEU 617 CO -0.56 -0.30 0.26 0.00 0.09 0.00 0.00 178.44 177.93 1ggj h ALA 618 N 0.81 0.56 0.47 1.53 0.00 -0.92 -1.60 119.26 120.11 1ggj h ALA 618 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ggj h ALA 618 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1ggj h ALA 618 CO -0.82 -0.06 -0.49 0.82 0.00 0.00 0.00 179.25 178.70 1ggj h ILE 619 N 0.53 0.04 -0.73 0.00 2.04 0.17 -2.03 117.51 117.53 1ggj h ILE 619 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1ggj h ILE 619 Cb 0.02 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1ggj h ILE 619 CO -0.08 0.00 0.47 -0.07 0.00 0.00 0.00 178.15 178.47 1ggj h LEU 620 N -0.97 0.85 -0.42 1.44 3.38 -0.37 -1.57 115.31 117.64 1ggj h LEU 620 Ca -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ggj h LEU 620 Cb 0.85 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1ggj h LEU 620 CO -0.08 0.62 0.10 0.50 0.09 0.00 0.00 178.44 179.68 1ggj h LYS 621 N 0.99 0.67 -0.54 1.13 3.64 -1.16 -1.12 116.57 120.18 1ggj h LYS 621 Ca 0.27 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1ggj h LYS 621 Cb -0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1ggj h LYS 621 CO -0.06 0.68 -0.06 0.00 -2.27 0.00 0.00 179.45 177.75 1ggj h ALA 622 N 0.96 0.74 -0.28 5.00 0.00 -0.92 -2.08 119.26 122.68 1ggj h ALA 622 Ca 0.13 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1ggj h ALA 622 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ggj h ALA 622 CO 0.00 0.61 0.07 -0.07 0.00 0.00 0.00 179.25 179.86 1ggj h LEU 623 N 0.87 0.43 -1.54 0.00 3.38 -1.20 -2.92 115.31 114.32 1ggj h LEU 623 Ca 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ggj h LEU 623 Cb 0.62 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ggj h LEU 623 CO 0.04 0.55 -0.13 0.50 0.09 0.00 0.00 178.44 179.48 1ggj h LYS 624 N 0.29 0.13 0.00 1.13 3.64 -1.16 0.67 116.57 121.26 1ggj h LYS 624 Ca 0.09 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1ggj h LYS 624 Cb 0.29 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1ggj h LYS 624 CO 0.00 0.27 -0.28 0.00 -2.27 0.00 0.00 179.45 177.17 1ggj h ALA 625 N 1.75 1.30 -0.15 5.00 0.00 -1.19 -2.68 119.26 123.29 1ggj h ALA 625 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ggj h ALA 625 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ggj h ALA 625 CO 0.02 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.26 1ggj n LYS 626 N -3.87 2.00 -1.71 0.00 4.76 -0.60 -4.97 118.16 113.78 1ggj n LYS 626 Ca -0.02 -1.87 -0.05 0.00 -2.87 0.00 0.00 58.31 53.50 1ggj n LYS 626 Cb 0.37 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.14 1ggj n LYS 626 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ggj n GLY 627 N 1.18 0.41 3.83 0.72 0.00 -0.45 -3.81 105.19 107.07 1ggj n GLY 627 Ca 0.14 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1ggj n GLY 627 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ggj s VAL 628 N -2.24 5.01 0.39 1.61 1.01 0.10 -0.79 120.40 125.49 1ggj s VAL 628 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1ggj s VAL 628 Cb 0.00 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1ggj s VAL 628 CO 0.00 0.56 0.59 -1.00 0.00 0.00 0.00 175.10 175.25 1ggj s HIS 629 N -0.99 3.30 0.05 5.22 3.76 0.15 -4.09 115.29 122.70 1ggj s HIS 629 Ca 0.24 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.37 1ggj s HIS 629 Cb -0.17 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1ggj s HIS 629 CO 0.14 -0.12 -0.09 0.00 -0.85 0.00 0.00 174.74 173.81 1ggj s ALA 630 N -2.40 0.75 -0.11 -1.40 0.00 -1.26 -0.27 121.76 117.07 1ggj s ALA 630 Ca 0.45 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1ggj s ALA 630 Cb -0.10 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1ggj s ALA 630 CO 0.36 0.01 -0.10 -1.59 0.00 0.00 0.00 175.76 174.43 1ggj s LYS 631 N -1.79 1.76 -0.38 0.00 -2.85 -0.37 -4.90 119.74 111.20 1ggj s LYS 631 Ca -0.06 -0.37 -0.22 0.00 -1.00 0.00 0.00 55.97 54.32 1ggj s LYS 631 Cb -0.09 -1.67 0.01 0.00 -2.06 0.00 0.00 37.83 34.02 1ggj s LYS 631 CO 0.01 -0.19 0.74 -0.51 0.10 0.00 0.00 175.35 175.50 1ggj s LEU 632 N 1.40 4.20 0.01 2.77 1.43 -1.26 -0.73 118.68 126.51 1ggj s LEU 632 Ca 0.00 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1ggj s LEU 632 Cb -0.13 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1ggj s LEU 632 CO -0.06 -0.74 -0.08 -0.76 0.23 0.00 0.00 176.35 174.94 1ggj s LEU 633 N 3.03 3.11 0.00 1.79 1.02 -0.29 -0.14 118.68 127.20 1ggj s LEU 633 Ca 0.29 -0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.27 1ggj s LEU 633 Cb -0.13 -1.79 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 1ggj s LEU 633 CO 0.18 0.28 0.20 0.00 0.02 0.00 0.00 176.35 177.02 1ggj n TYR 634 N 1.53 -0.70 1.66 0.29 9.36 -0.78 -1.07 117.16 127.45 1ggj n TYR 634 Ca -0.15 -1.27 0.15 0.00 3.32 0.00 0.00 57.90 59.94 1ggj n TYR 634 Cb 0.52 0.22 0.70 0.00 -0.63 0.00 0.00 39.34 40.15 1ggj n TYR 634 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1ggj n SER 635 N -2.09 0.72 -3.76 2.98 3.41 -1.26 -2.21 113.62 111.41 1ggj n SER 635 Ca 0.02 -1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 57.43 1ggj n SER 635 Cb 0.30 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1ggj n SER 635 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ggj s ARG 636 N -2.11 1.35 0.62 4.33 1.70 -1.26 -4.91 118.95 118.66 1ggj s ARG 636 Ca 0.39 -0.90 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 1ggj s ARG 636 Cb 0.21 0.50 0.14 0.00 -0.57 0.00 0.00 34.95 35.23 1ggj s ARG 636 CO 0.38 -0.56 0.84 -1.33 -1.08 0.00 0.00 175.30 173.55 1ggj n MET 637 N -0.32 -0.74 0.00 3.89 2.81 -1.26 -4.75 117.12 116.75 1ggj n MET 637 Ca -0.10 -1.38 0.00 0.00 -1.81 0.00 0.00 57.70 54.41 1ggj n MET 637 Cb 0.63 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.29 1ggj n MET 637 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ggj n GLY 638 N -0.58 0.85 3.43 3.03 0.00 -1.26 -4.98 105.19 105.68 1ggj n GLY 638 Ca 0.11 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1ggj n GLY 638 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggj s GLU 639 N 0.00 1.26 0.17 1.61 -1.05 -1.26 -2.10 118.70 117.32 1ggj s GLU 639 Ca 0.00 -0.71 0.06 0.00 -0.15 0.00 0.00 54.97 54.17 1ggj s GLU 639 Cb 0.00 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1ggj s GLU 639 CO 0.00 -0.53 -0.13 0.14 0.95 0.00 0.00 175.26 175.69 1ggj s VAL 640 N -3.82 1.44 -0.15 1.83 -7.23 -0.23 -4.96 120.40 107.28 1ggj s VAL 640 Ca 0.05 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 1ggj s VAL 640 Cb -0.00 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1ggj s VAL 640 CO -0.08 -0.61 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.11 1ggj s THR 641 N -2.91 3.22 0.87 5.32 2.01 -1.26 0.19 115.64 123.08 1ggj s THR 641 Ca 0.17 -0.59 -0.12 0.00 0.31 0.00 0.00 61.69 61.46 1ggj s THR 641 Cb -0.00 -2.38 0.11 0.00 0.01 0.00 0.00 72.50 70.24 1ggj s THR 641 CO 0.04 0.50 1.14 0.00 -0.69 0.00 0.00 174.62 175.60 1ggj s ALA 642 N 0.57 2.01 0.42 7.40 0.00 0.20 -4.12 121.76 128.25 1ggj s ALA 642 Ca -0.06 -0.49 0.23 0.00 0.00 0.00 0.00 51.96 51.64 1ggj s ALA 642 Cb -0.15 -3.03 1.22 0.00 0.00 0.00 0.00 23.12 21.16 1ggj s ALA 642 CO 0.03 -2.07 1.73 0.38 0.00 0.00 0.00 175.76 175.83 1ggj h ASP 643 N -1.34 0.36 -0.22 0.00 2.03 -1.59 0.11 116.42 115.77 1ggj h ASP 643 Ca -0.49 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 1ggj h ASP 643 Cb 1.32 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1ggj h ASP 643 CO 0.62 -0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 1ggj n ASP 644 N -4.62 2.04 0.00 4.15 3.85 -1.26 -4.90 116.55 115.80 1ggj n ASP 644 Ca 0.29 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 1ggj n ASP 644 Cb 1.06 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 40.69 1ggj n ASP 644 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ggj n GLY 645 N 1.20 0.76 3.66 6.12 0.00 0.40 -5.02 105.19 112.31 1ggj n GLY 645 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1ggj n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ggj s THR 646 N -2.24 3.71 -0.19 2.61 2.01 -1.25 -4.74 115.64 115.55 1ggj s THR 646 Ca 0.00 0.85 -0.25 0.00 0.31 0.00 0.00 61.69 62.59 1ggj s THR 646 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1ggj s THR 646 CO 0.00 -0.11 0.85 -0.69 -0.69 0.00 0.00 174.62 173.99 1ggj s VAL 647 N 4.15 4.85 -0.26 3.82 1.01 -1.26 0.63 120.40 133.33 1ggj s VAL 647 Ca 0.70 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 64.30 1ggj s VAL 647 Cb -0.30 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1ggj s VAL 647 CO 0.27 -0.02 0.00 -0.76 0.00 0.00 0.00 175.10 174.60 1ggj s LEU 648 N 2.40 3.42 0.05 3.92 1.43 0.13 -4.97 118.68 125.05 1ggj s LEU 648 Ca 0.38 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1ggj s LEU 648 Cb -0.16 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1ggj s LEU 648 CO 0.11 -0.14 1.22 -2.16 0.23 0.00 0.00 176.35 175.61 1ggj s PRO 649 N 1.42 4.41 -0.13 1.29 0.04 -1.26 -1.07 135.00 139.70 1ggj s PRO 649 Ca 0.02 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1ggj s PRO 649 Cb -0.16 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1ggj s PRO 649 CO -0.01 -0.30 0.56 0.42 0.04 0.00 0.00 177.00 177.70 1ggj s ILE 650 N 1.27 5.12 0.02 0.56 1.01 -0.89 -4.77 121.20 123.52 1ggj s ILE 650 Ca 0.59 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 62.20 1ggj s ILE 650 Cb -0.29 -3.89 -0.34 0.00 0.01 0.00 0.00 42.46 37.95 1ggj s ILE 650 CO 0.28 0.25 0.95 0.00 0.00 0.00 0.00 174.94 176.42 1ggj h ALA 651 N 6.97 -0.05 -2.77 9.38 0.00 -0.88 -3.41 119.26 128.50 1ggj h ALA 651 Ca -0.38 -0.93 0.09 0.00 0.00 0.00 0.00 54.91 53.68 1ggj h ALA 651 Cb 1.17 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1ggj h ALA 651 CO 0.76 0.82 0.35 0.00 0.00 0.00 0.00 179.25 181.18 1ggj s ALA 652 N -2.60 -1.26 0.68 0.00 0.00 -1.21 -5.04 121.76 112.32 1ggj s ALA 652 Ca -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1ggj s ALA 652 Cb 0.05 0.74 0.08 0.00 0.00 0.00 0.00 23.12 23.99 1ggj s ALA 652 CO 0.92 -1.03 0.95 0.95 0.00 0.00 0.00 175.76 177.54 1ggj s THR 653 N -3.11 2.34 0.21 0.00 -4.23 -1.26 -1.87 115.64 107.72 1ggj s THR 653 Ca 0.14 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1ggj s THR 653 Cb -0.04 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 71.05 1ggj s THR 653 CO 0.07 0.00 1.69 -0.26 -0.54 0.00 0.00 174.62 175.57 1ggj h PHE 654 N -0.42 1.06 0.02 3.99 0.05 -1.76 -1.83 116.94 118.05 1ggj h PHE 654 Ca -0.41 -0.17 -0.21 0.00 3.82 0.00 0.00 57.97 61.01 1ggj h PHE 654 Cb 1.29 -0.28 -0.02 0.00 2.00 0.00 0.00 35.95 38.94 1ggj h PHE 654 CO 0.06 0.94 -0.97 0.00 -0.18 0.00 0.00 178.31 178.16 1ggj h ALA 655 N 1.09 0.41 -0.10 2.45 0.00 -1.91 -3.26 119.26 117.94 1ggj h ALA 655 Ca 0.16 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.15 1ggj h ALA 655 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ggj h ALA 655 CO 0.03 1.11 -0.34 0.78 0.00 0.00 0.00 179.25 180.83 1ggj h GLY 656 N 2.49 0.20 -6.26 0.00 0.00 -1.82 -3.35 103.07 94.33 1ggj h GLY 656 Ca -0.03 -0.17 -0.58 0.00 0.00 0.00 0.00 47.33 46.55 1ggj h GLY 656 CO 0.14 0.16 -1.01 0.00 0.00 0.00 0.00 176.54 175.82 1ggj n ALA 657 N -2.48 2.75 -0.77 3.60 0.00 -0.73 -4.85 120.51 118.03 1ggj n ALA 657 Ca -0.01 -3.26 -0.33 0.00 0.00 0.00 0.00 53.44 49.84 1ggj n ALA 657 Cb 0.41 -0.78 0.13 0.00 0.00 0.00 0.00 19.45 19.22 1ggj n ALA 657 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ggj n PRO 658 N 2.32 -0.33 0.25 0.00 -0.04 -1.23 -4.82 135.00 131.15 1ggj n PRO 658 Ca 0.27 -0.05 0.16 0.00 -0.04 0.00 0.00 63.50 63.84 1ggj n PRO 658 Cb 0.49 -1.95 0.86 0.00 -0.04 0.00 0.00 33.50 32.86 1ggj n PRO 658 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ggj h SER 659 N -1.63 0.00 -0.58 3.54 4.64 -1.85 -2.32 113.55 115.35 1ggj h SER 659 Ca -0.43 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.98 1ggj h SER 659 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1ggj h SER 659 CO 0.35 0.00 0.39 -0.07 -0.87 0.00 0.00 176.83 176.63 1ggj h LEU 660 N 0.00 0.35 -0.05 5.97 3.38 -1.95 -1.76 115.31 121.24 1ggj h LEU 660 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ggj h LEU 660 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ggj h LEU 660 CO 0.00 0.21 -0.04 0.35 0.09 0.00 0.00 178.44 179.05 1ggj n THR 661 N -4.47 0.00 -4.60 0.22 -2.24 -0.87 -4.90 114.28 97.42 1ggj n THR 661 Ca 0.09 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 1ggj n THR 661 Cb 0.37 -0.39 -0.11 0.00 -2.10 0.00 0.00 70.33 68.10 1ggj n THR 661 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ggj s VAL 662 N -2.61 1.96 -0.28 2.28 -7.23 -0.66 -4.93 120.40 108.93 1ggj s VAL 662 Ca 0.27 -2.02 0.22 0.00 -1.81 0.00 0.00 61.98 58.64 1ggj s VAL 662 Cb 0.20 -2.95 -0.26 0.00 0.56 0.00 0.00 36.38 33.93 1ggj s VAL 662 CO 0.48 -0.02 0.67 0.47 -0.31 0.00 0.00 175.10 176.39 1ggj n ASP 663 N -0.93 0.32 -3.57 4.85 9.92 -0.07 -5.00 116.55 122.07 1ggj n ASP 663 Ca -0.05 -0.17 -0.07 0.00 -0.53 0.00 0.00 54.79 53.97 1ggj n ASP 663 Cb 0.67 1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 42.67 1ggj n ASP 663 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ggj s ALA 664 N -3.38 -1.75 -0.06 2.24 0.00 -1.23 -4.22 121.76 113.37 1ggj s ALA 664 Ca -0.03 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.63 1ggj s ALA 664 Cb 0.14 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1ggj s ALA 664 CO 0.88 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1ggj s VAL 665 N -3.23 0.89 -0.06 0.00 1.01 -0.73 -1.29 120.40 116.98 1ggj s VAL 665 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ggj s VAL 665 Cb -0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1ggj s VAL 665 CO -0.06 0.30 -0.20 -0.63 0.00 0.00 0.00 175.10 174.51 1ggj s ILE 666 N 0.85 2.50 -0.27 2.22 1.01 0.58 -0.09 121.20 128.00 1ggj s ILE 666 Ca -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1ggj s ILE 666 Cb -0.15 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.45 1ggj s ILE 666 CO 0.01 0.57 -0.01 -0.69 0.00 0.00 0.00 174.94 174.82 1ggj s VAL 667 N -0.33 1.63 0.77 2.92 1.01 0.03 -1.04 120.40 125.39 1ggj s VAL 667 Ca 0.02 -1.51 -0.11 0.00 0.00 0.00 0.00 61.98 60.38 1ggj s VAL 667 Cb -0.13 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.32 1ggj s VAL 667 CO 0.02 -0.29 1.08 -2.16 0.00 0.00 0.00 175.10 173.76 1ggj s PRO 668 N 1.31 2.27 0.85 2.72 0.04 -1.26 -1.97 135.00 138.96 1ggj s PRO 668 Ca -0.00 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 1ggj s PRO 668 Cb -0.19 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1ggj s PRO 668 CO -0.09 -1.59 1.10 0.00 0.04 0.00 0.00 177.00 176.46 1ggj n GLY 670 N -1.90 0.29 3.55 0.00 0.00 -1.26 -1.43 105.19 104.44 1ggj n GLY 670 Ca 0.07 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 1ggj n GLY 670 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ggj s ASN 671 N -4.00 6.82 0.48 1.61 2.47 -1.09 -4.79 114.94 116.43 1ggj s ASN 671 Ca 0.00 -2.36 0.23 0.00 0.42 0.00 0.00 52.86 51.14 1ggj s ASN 671 Cb 0.00 -2.54 1.22 0.00 -1.45 0.00 0.00 41.25 38.49 1ggj s ASN 671 CO 0.00 -1.14 2.00 0.40 -3.72 0.00 0.00 177.10 174.64 1ggj h ILE 672 N 5.62 0.77 0.00 -5.21 1.08 -1.93 -2.27 117.51 115.57 1ggj h ILE 672 Ca 0.37 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 64.09 1ggj h ILE 672 Cb 0.90 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1ggj h ILE 672 CO 1.40 0.17 -0.16 0.00 -0.69 0.00 0.00 178.15 178.87 1ggj h ALA 673 N 1.82 1.27 -0.58 1.87 0.00 -1.94 0.96 119.26 122.65 1ggj h ALA 673 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ggj h ALA 673 Cb 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1ggj h ALA 673 CO 0.02 0.20 0.35 0.22 0.00 0.00 0.00 179.25 180.04 1ggj h ASP 674 N 0.00 0.57 0.00 0.00 -0.00 -1.82 -3.26 116.42 111.91 1ggj h ASP 674 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ggj h ASP 674 Cb 0.42 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.63 1ggj h ASP 674 CO 0.02 0.40 -0.76 2.30 -0.00 0.00 0.00 179.24 181.20 1ggj n ILE 675 N -4.75 0.00 0.30 2.25 -5.35 -0.63 -4.67 119.36 106.50 1ggj n ILE 675 Ca 0.05 -0.19 0.19 0.00 -0.27 0.00 0.00 62.75 62.53 1ggj n ILE 675 Cb 0.09 0.91 1.02 0.00 -1.74 0.00 0.00 39.64 39.91 1ggj n ILE 675 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ggj h ALA 676 N 1.87 1.35 -0.28 -1.28 0.00 0.87 0.15 119.26 121.94 1ggj h ALA 676 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ggj h ALA 676 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ggj h ALA 676 CO 0.00 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 1ggj n ASP 677 N -3.43 3.64 -4.51 0.00 10.43 -1.26 -4.92 116.55 116.49 1ggj n ASP 677 Ca -0.02 -2.75 -0.43 0.00 2.57 0.00 0.00 54.79 54.16 1ggj n ASP 677 Cb 0.16 -0.46 -0.04 0.00 1.84 0.00 0.00 41.12 42.61 1ggj n ASP 677 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 1ggj s ASN 678 N -1.68 6.30 0.21 -2.24 3.84 0.52 -4.92 114.94 116.96 1ggj s ASN 678 Ca 0.37 -0.48 -0.18 0.00 0.21 0.00 0.00 52.86 52.77 1ggj s ASN 678 Cb 0.28 -2.44 0.20 0.00 -0.55 0.00 0.00 41.25 38.74 1ggj s ASN 678 CO 0.11 -1.32 1.57 1.23 -2.79 0.00 0.00 177.10 175.90 1ggj h GLY 679 N 11.20 0.03 0.54 1.21 0.00 -1.91 0.21 103.07 114.34 1ggj h GLY 679 Ca -0.27 0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.62 1ggj h GLY 679 CO 1.12 -0.21 0.45 -0.55 0.00 0.00 0.00 176.54 177.35 1ggj h ASP 680 N -0.07 0.65 0.05 0.19 3.45 -1.95 0.62 116.42 119.34 1ggj h ASP 680 Ca 0.30 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.80 1ggj h ASP 680 Cb 0.58 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 1ggj h ASP 680 CO -0.84 0.38 -0.02 0.00 -1.57 0.00 0.00 179.24 177.18 1ggj h ALA 681 N 1.44 -0.06 -0.57 3.45 0.00 -0.93 0.19 119.26 122.78 1ggj h ALA 681 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1ggj h ALA 681 Cb 0.34 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ggj h ALA 681 CO -0.24 -0.53 0.33 -0.91 0.00 0.00 0.00 179.25 177.91 1ggj h ASN 682 N -0.08 0.69 -0.57 0.00 2.35 -0.66 -2.38 115.58 114.93 1ggj h ASN 682 Ca -0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1ggj h ASN 682 Cb 0.07 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1ggj h ASN 682 CO 0.01 0.56 0.28 0.22 -1.65 0.00 0.00 177.43 176.86 1ggj h TYR 683 N 0.77 0.84 -0.71 1.19 5.03 0.55 -1.56 116.97 123.07 1ggj h TYR 683 Ca 0.20 -0.03 0.09 0.00 2.58 0.00 0.00 58.73 61.58 1ggj h TYR 683 Cb 0.01 -0.26 -0.07 0.00 1.55 0.00 0.00 36.73 37.95 1ggj h TYR 683 CO -0.02 0.62 0.36 -0.92 -1.32 0.00 0.00 178.16 176.88 1ggj h TYR 684 N 0.85 0.64 -0.27 -3.82 5.03 -0.09 -0.50 116.97 118.81 1ggj h TYR 684 Ca 0.21 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.36 1ggj h TYR 684 Cb 0.10 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1ggj h TYR 684 CO 0.01 0.24 -0.59 -0.07 -1.32 0.00 0.00 178.16 176.43 1ggj h LEU 685 N 0.61 0.96 -0.75 2.82 3.38 -1.23 -2.60 115.31 118.51 1ggj h LEU 685 Ca 0.35 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1ggj h LEU 685 Cb 0.36 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ggj h LEU 685 CO -0.26 1.33 -0.03 0.24 0.09 0.00 0.00 178.44 179.80 1ggj h MET 686 N 0.64 0.92 -0.01 1.13 2.86 -0.73 0.34 114.93 120.09 1ggj h MET 686 Ca 0.00 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1ggj h MET 686 Cb 1.20 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1ggj h MET 686 CO 0.13 0.93 0.00 1.49 1.06 0.00 0.00 176.91 180.52 1ggj h GLU 687 N 0.84 0.02 -0.83 1.72 4.81 -1.14 -0.11 114.58 119.89 1ggj h GLU 687 Ca 0.15 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1ggj h GLU 687 Cb 0.55 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.87 1ggj h GLU 687 CO 0.03 0.31 0.52 0.00 -0.73 0.00 0.00 179.01 179.14 1ggj h ALA 688 N 0.70 1.11 0.38 2.92 0.00 -1.39 -1.24 119.26 121.75 1ggj h ALA 688 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ggj h ALA 688 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ggj h ALA 688 CO 0.00 0.30 -0.18 -0.92 0.00 0.00 0.00 179.25 178.45 1ggj h TYR 689 N 0.98 -0.48 -0.73 0.00 3.20 -0.81 -1.57 116.97 117.56 1ggj h TYR 689 Ca 0.35 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.36 1ggj h TYR 689 Cb 0.09 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.42 1ggj h TYR 689 CO -0.03 -0.24 0.22 -0.22 -1.64 0.00 0.00 178.16 176.25 1ggj h LYS 690 N -0.61 0.32 -0.93 1.82 3.64 -0.69 -1.03 116.57 119.08 1ggj h LYS 690 Ca -0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ggj h LYS 690 Cb 0.45 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ggj h LYS 690 CO 0.09 0.21 0.00 0.72 -2.27 0.00 0.00 179.45 178.20 1ggj n HIS 691 N -5.10 0.29 -2.34 1.91 8.25 -0.50 -4.89 115.22 112.85 1ggj n HIS 691 Ca 0.14 -0.10 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1ggj n HIS 691 Cb 0.43 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1ggj n HIS 691 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ggj n LEU 692 N 0.09 -1.92 -4.85 2.41 4.77 -0.39 -4.89 117.00 112.22 1ggj n LEU 692 Ca 0.04 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 1ggj n LEU 692 Cb 0.38 -2.93 -0.06 0.00 -2.33 0.00 0.00 43.42 38.48 1ggj n LEU 692 CO 0.05 -0.28 0.20 -0.54 -1.33 0.00 0.00 177.39 175.49 1ggj s LYS 693 N -4.95 3.91 0.26 3.23 1.02 -0.61 0.67 119.74 123.27 1ggj s LYS 693 Ca 0.00 0.40 -0.31 0.00 0.02 0.00 0.00 55.97 56.08 1ggj s LYS 693 Cb 0.00 -2.91 -0.12 0.00 -0.52 0.00 0.00 37.83 34.28 1ggj s LYS 693 CO 0.00 0.47 1.63 -2.30 -0.92 0.00 0.00 175.35 174.24 1ggj n PRO 694 N 0.70 2.68 -4.83 -1.68 -0.02 -1.26 -4.61 135.00 125.97 1ggj n PRO 694 Ca -0.05 0.96 -0.26 0.00 -2.02 0.00 0.00 63.50 62.13 1ggj n PRO 694 Cb 0.52 -2.76 -0.16 0.00 -0.02 0.00 0.00 33.50 31.08 1ggj n PRO 694 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ggj s ILE 695 N 0.45 1.40 -0.10 4.25 1.01 -1.16 -1.77 121.20 125.28 1ggj s ILE 695 Ca 0.69 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1ggj s ILE 695 Cb -0.51 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 40.78 1ggj s ILE 695 CO 0.42 0.40 -0.15 0.00 0.00 0.00 0.00 174.94 175.62 1ggj s ALA 696 N -0.13 1.64 -0.19 9.38 0.00 0.88 -0.65 121.76 132.68 1ggj s ALA 696 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1ggj s ALA 696 Cb -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.23 1ggj s ALA 696 CO 0.01 -0.07 -0.17 -0.51 0.00 0.00 0.00 175.76 175.02 1ggj s LEU 697 N 0.98 2.37 -0.13 0.00 1.43 0.21 -0.79 118.68 122.74 1ggj s LEU 697 Ca -0.07 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 1ggj s LEU 697 Cb -0.15 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1ggj s LEU 697 CO -0.01 -0.02 -0.04 0.00 0.23 0.00 0.00 176.35 176.50 1ggj s ALA 698 N 1.29 3.02 0.00 4.21 0.00 -0.83 -2.40 121.76 127.04 1ggj s ALA 698 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1ggj s ALA 698 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1ggj s ALA 698 CO -0.11 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1ggj n GLY 699 N 3.14 3.18 0.22 0.00 0.00 0.02 -1.54 105.19 110.21 1ggj n GLY 699 Ca -0.18 0.26 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1ggj n GLY 699 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ggj n ASP 700 N 9.97 0.64 0.12 1.61 8.00 -1.26 -2.49 116.55 133.15 1ggj n ASP 700 Ca 0.00 -1.99 0.12 0.00 0.71 0.00 0.00 54.79 53.64 1ggj n ASP 700 Cb 0.00 -0.08 0.23 0.00 -0.02 0.00 0.00 41.12 41.25 1ggj n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ggj h ALA 701 N 3.24 0.83 0.00 2.24 0.00 -1.55 -3.20 119.26 120.82 1ggj h ALA 701 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ggj h ALA 701 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ggj h ALA 701 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1ggj n ARG 702 N -2.50 0.04 0.16 0.00 1.74 -1.04 -0.63 116.66 114.44 1ggj n ARG 702 Ca 0.04 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.69 1ggj n ARG 702 Cb 0.47 -1.61 0.46 0.00 -1.02 0.00 0.00 32.46 30.76 1ggj n ARG 702 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ggj h LYS 703 N 0.00 0.00 0.00 5.56 6.56 -1.80 -2.52 116.57 124.37 1ggj h LYS 703 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ggj h LYS 703 Cb 0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1ggj h LYS 703 CO 0.00 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.58 1ggj n PHE 704 N -2.50 0.06 -0.05 -1.35 3.01 0.20 -3.00 117.46 113.84 1ggj n PHE 704 Ca 0.03 0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.64 1ggj n PHE 704 Cb 0.34 -0.54 0.53 0.00 -0.01 0.00 0.00 39.48 39.80 1ggj n PHE 704 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ggj h LYS 705 N 0.00 0.34 -0.72 -1.08 1.57 -1.63 -2.23 116.57 112.82 1ggj h LYS 705 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ggj h LYS 705 Cb 0.39 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 1ggj h LYS 705 CO 0.00 0.22 0.24 0.00 -0.57 0.00 0.00 179.45 179.34 1ggj h ALA 706 N 1.72 0.95 0.00 3.86 0.00 -1.77 0.14 119.26 124.15 1ggj h ALA 706 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ggj h ALA 706 Cb 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ggj h ALA 706 CO -0.06 0.62 -0.13 1.15 0.00 0.00 0.00 179.25 180.83 1ggj h THR 707 N 1.07 0.81 -0.20 0.00 2.02 -1.63 -1.66 112.91 113.32 1ggj h THR 707 Ca 0.24 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1ggj h THR 707 Cb 0.29 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 1ggj h THR 707 CO -0.01 0.13 -0.04 2.30 0.37 0.00 0.00 175.52 178.27 1ggj n ILE 708 N -3.97 2.23 -4.02 3.11 -5.35 -1.08 -4.90 119.36 105.38 1ggj n ILE 708 Ca -0.02 -2.20 -0.41 0.00 -0.27 0.00 0.00 62.75 59.84 1ggj n ILE 708 Cb 0.22 -0.26 0.01 0.00 -1.74 0.00 0.00 39.64 37.86 1ggj n ILE 708 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ggj n LYS 709 N -0.90 -0.70 -3.64 6.28 4.76 -0.53 -4.95 118.16 118.48 1ggj n LYS 709 Ca 0.22 0.17 -0.36 0.00 -2.87 0.00 0.00 58.31 55.47 1ggj n LYS 709 Cb 0.84 -3.09 -0.08 0.00 -1.84 0.00 0.00 35.03 30.87 1ggj n LYS 709 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ggj s ILE 710 N -3.64 5.36 0.82 -0.18 1.01 0.38 -5.01 121.20 119.94 1ggj s ILE 710 Ca 0.41 0.35 -0.15 0.00 0.00 0.00 0.00 60.65 61.26 1ggj s ILE 710 Cb -0.20 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 1ggj s ILE 710 CO 0.95 0.42 0.51 0.00 0.00 0.00 0.00 174.94 176.81 1ggj n ALA 711 N 3.55 -1.91 -0.14 9.38 0.00 -1.26 -4.74 120.51 125.39 1ggj n ALA 711 Ca -0.14 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1ggj n ALA 711 Cb 0.52 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.13 1ggj n ALA 711 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ggj h ASP 712 N -0.89 0.48 0.67 0.00 3.32 -2.00 -2.34 116.42 115.65 1ggj h ASP 712 Ca -0.45 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1ggj h ASP 712 Cb 1.32 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1ggj h ASP 712 CO 0.39 0.34 -0.02 0.06 -1.72 0.00 0.00 179.24 178.30 1ggj h GLN 713 N 0.57 0.00 0.00 3.56 3.07 -2.05 -3.48 115.11 116.77 1ggj h GLN 713 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.90 1ggj h GLN 713 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1ggj h GLN 713 CO -0.04 0.02 0.00 0.41 0.09 0.00 0.00 178.83 179.30 1ggj n GLY 714 N -0.34 -0.43 3.64 0.06 0.00 -0.88 -5.08 105.19 102.15 1ggj n GLY 714 Ca -0.01 -2.27 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 1ggj n GLY 714 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ggj s GLU 715 N -0.67 0.73 0.19 1.61 2.12 -1.26 -4.45 118.70 116.97 1ggj s GLU 715 Ca 0.00 1.15 -0.33 0.00 0.36 0.00 0.00 54.97 56.15 1ggj s GLU 715 Cb 0.00 0.21 -0.13 0.00 0.26 0.00 0.00 34.13 34.46 1ggj s GLU 715 CO 0.00 -0.13 1.56 0.39 -0.54 0.00 0.00 175.26 176.54 1ggj n GLU 716 N 3.88 2.22 0.00 4.30 -0.58 -1.26 -1.80 120.64 127.41 1ggj n GLU 716 Ca -0.18 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1ggj n GLU 716 Cb 0.58 -2.56 0.00 0.00 -0.57 0.00 0.00 31.44 28.89 1ggj n GLU 716 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ggj n GLY 717 N 3.16 2.85 3.27 0.62 0.00 -1.26 -4.86 105.19 108.97 1ggj n GLY 717 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1ggj n GLY 717 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ggj s ILE 718 N -2.55 3.77 0.03 -0.61 -1.09 -0.74 -2.97 121.20 117.04 1ggj s ILE 718 Ca 0.00 -1.16 -0.28 0.00 -2.23 0.00 0.00 60.65 56.97 1ggj s ILE 718 Cb 0.00 -3.15 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 1ggj s ILE 718 CO 0.00 -0.20 0.91 -0.69 -1.23 0.00 0.00 174.94 173.73 1ggj s VAL 719 N 1.40 4.76 -0.10 2.92 1.01 0.17 -4.67 120.40 125.89 1ggj s VAL 719 Ca -0.01 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.79 1ggj s VAL 719 Cb -0.20 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 31.95 1ggj s VAL 719 CO 0.03 0.25 0.28 -1.83 0.00 0.00 0.00 175.10 173.83 1ggj s GLU 720 N 0.50 0.36 0.34 2.72 -1.05 -1.26 0.63 118.70 120.95 1ggj s GLU 720 Ca 0.47 0.33 -0.14 0.00 -0.15 0.00 0.00 54.97 55.48 1ggj s GLU 720 Cb -0.21 0.17 0.03 0.00 -0.44 0.00 0.00 34.13 33.68 1ggj s GLU 720 CO 0.27 -0.05 0.68 0.00 0.95 0.00 0.00 175.26 177.11 1ggj s ALA 721 N 0.00 -0.50 0.26 -0.84 0.00 -1.01 -5.00 121.76 114.68 1ggj s ALA 721 Ca -0.01 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1ggj s ALA 721 Cb -0.02 0.84 0.32 0.00 0.00 0.00 0.00 23.12 24.26 1ggj s ALA 721 CO 0.01 -0.95 1.60 -0.44 0.00 0.00 0.00 175.76 175.98 1ggj h ASP 722 N 2.05 0.17 -5.36 0.00 3.32 -1.92 0.09 116.42 114.77 1ggj h ASP 722 Ca -0.28 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1ggj h ASP 722 Cb 1.25 -0.05 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 1ggj h ASP 722 CO 0.36 0.71 -0.19 -0.94 -1.72 0.00 0.00 179.24 177.46 1ggj s SER 723 N -6.88 0.21 -1.00 6.45 1.04 -1.26 -2.65 113.70 109.61 1ggj s SER 723 Ca -0.03 -1.15 -0.15 0.00 0.48 0.00 0.00 55.95 55.11 1ggj s SER 723 Cb 0.12 0.59 0.19 0.00 0.10 0.00 0.00 66.02 67.02 1ggj s SER 723 CO 0.78 -1.16 1.10 0.00 0.98 0.00 0.00 173.24 174.94 1ggj s ALA 724 N -3.73 3.97 0.04 5.32 0.00 -1.26 -4.81 121.76 121.29 1ggj s ALA 724 Ca 0.27 -3.26 0.01 0.00 0.00 0.00 0.00 51.96 48.97 1ggj s ALA 724 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.29 1ggj s ALA 724 CO 0.12 -2.60 0.04 -0.40 0.00 0.00 0.00 175.76 172.93 1ggj n ASP 725 N 4.92 0.72 -0.19 0.00 3.85 -1.26 -4.47 116.55 120.12 1ggj n ASP 725 Ca 0.24 -1.13 -0.03 0.00 -0.71 0.00 0.00 54.79 53.16 1ggj n ASP 725 Cb 0.45 -0.02 0.07 0.00 -1.35 0.00 0.00 41.12 40.28 1ggj n ASP 725 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1ggj h GLY 726 N 0.03 0.79 0.89 6.12 0.00 -1.94 -0.42 103.07 108.55 1ggj h GLY 726 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1ggj h GLY 726 CO 0.04 0.11 0.09 0.23 0.00 0.00 0.00 176.54 177.00 1ggj h SER 727 N 0.54 0.38 -0.26 0.19 0.87 -1.97 -0.71 113.55 112.59 1ggj h SER 727 Ca 0.25 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1ggj h SER 727 Cb 0.17 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1ggj h SER 727 CO -0.18 0.48 0.01 0.15 -0.53 0.00 0.00 176.83 176.76 1ggj h PHE 728 N 0.27 -0.00 -0.58 2.24 3.04 -1.82 -1.04 116.94 119.05 1ggj h PHE 728 Ca 0.09 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.02 1ggj h PHE 728 Cb 0.23 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.75 1ggj h PHE 728 CO 0.00 -0.03 0.21 0.52 -2.02 0.00 0.00 178.31 176.99 1ggj h MET 729 N 0.09 0.86 -0.62 1.11 2.86 -0.96 -2.00 114.93 116.28 1ggj h MET 729 Ca 0.12 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ggj h MET 729 Cb 0.15 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1ggj h MET 729 CO -0.20 0.72 0.32 -0.44 1.06 0.00 0.00 176.91 178.38 1ggj h ASP 730 N 0.84 0.79 -0.48 1.22 3.32 -0.38 -0.66 116.42 121.07 1ggj h ASP 730 Ca 0.20 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1ggj h ASP 730 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1ggj h ASP 730 CO -0.01 0.67 0.05 -0.33 -1.72 0.00 0.00 179.24 177.90 1ggj h GLU 731 N 0.84 0.81 -0.41 3.56 5.08 -0.85 -1.31 114.58 122.30 1ggj h GLU 731 Ca 0.22 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ggj h GLU 731 Cb 0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ggj h GLU 731 CO -0.03 0.83 0.15 1.25 -1.00 0.00 0.00 179.01 180.20 1ggj h LEU 732 N 0.67 0.58 -1.18 1.33 7.12 -1.18 -1.33 115.31 121.33 1ggj h LEU 732 Ca 0.14 -0.19 -0.08 0.00 0.13 0.00 0.00 57.88 57.89 1ggj h LEU 732 Cb 0.43 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 1ggj h LEU 732 CO 0.01 0.61 -0.24 -0.07 -0.13 0.00 0.00 178.44 178.62 1ggj h LEU 733 N 0.52 0.26 -0.30 2.25 3.38 -1.07 0.08 115.31 120.43 1ggj h LEU 733 Ca 0.13 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1ggj h LEU 733 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ggj h LEU 733 CO -0.01 0.52 0.00 0.74 0.09 0.00 0.00 178.44 179.78 1ggj h THR 734 N 0.24 1.26 -0.64 0.22 2.02 -1.02 -2.11 112.91 112.88 1ggj h THR 734 Ca 0.04 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.25 1ggj h THR 734 Cb 0.57 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1ggj h THR 734 CO 0.04 0.30 0.23 -0.07 0.37 0.00 0.00 175.52 176.39 1ggj h LEU 735 N 0.33 0.91 -1.49 2.58 3.38 -0.59 -2.73 115.31 117.70 1ggj h LEU 735 Ca 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1ggj h LEU 735 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ggj h LEU 735 CO 0.01 0.86 0.03 0.24 0.09 0.00 0.00 178.44 179.67 1ggj h MET 736 N 0.92 0.36 0.00 1.13 2.86 -0.85 -1.60 114.93 117.75 1ggj h MET 736 Ca 0.21 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1ggj h MET 736 Cb 0.25 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ggj h MET 736 CO -0.01 0.36 -0.15 0.00 1.06 0.00 0.00 176.91 178.17 1ggj h ALA 737 N 1.68 1.11 -0.17 6.32 0.00 -1.07 -0.75 119.26 126.39 1ggj h ALA 737 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ggj h ALA 737 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ggj h ALA 737 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1ggj n ALA 738 N -2.23 2.52 -0.04 0.00 0.00 -0.62 -3.97 120.51 116.17 1ggj n ALA 738 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1ggj n ALA 738 Cb 0.33 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1ggj n ALA 738 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ggj n HIS 739 N 0.36 0.00 -4.28 0.00 -0.00 -0.29 -4.78 115.22 106.23 1ggj n HIS 739 Ca 0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.73 1ggj n HIS 739 Cb 0.34 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.23 1ggj n HIS 739 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ggj s ARG 740 N 0.00 1.19 -1.02 1.57 1.81 -1.26 -4.71 118.95 116.52 1ggj s ARG 740 Ca 0.00 -1.56 -0.11 0.00 -1.72 0.00 0.00 55.73 52.34 1ggj s ARG 740 Cb 0.00 -0.59 0.25 0.00 -0.45 0.00 0.00 34.95 34.16 1ggj s ARG 740 CO 0.00 -0.02 1.02 0.08 -0.68 0.00 0.00 175.30 175.70 1ggj s VAL 741 N -3.40 5.79 0.52 3.52 1.01 0.21 -4.89 120.40 123.17 1ggj s VAL 741 Ca 0.23 -3.02 0.18 0.00 0.00 0.00 0.00 61.98 59.37 1ggj s VAL 741 Cb 0.04 -4.58 0.31 0.00 0.00 0.00 0.00 36.38 32.15 1ggj s VAL 741 CO 0.04 -1.17 2.10 -0.50 0.00 0.00 0.00 175.10 175.57 1ggj h TRP 742 N 7.11 0.03 0.00 5.22 4.06 -1.93 -1.79 115.95 128.65 1ggj h TRP 742 Ca 0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.11 1ggj h TRP 742 Cb 0.93 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 1ggj h TRP 742 CO 0.88 0.02 0.00 -1.13 -3.56 0.00 0.00 178.44 174.64 1ggj n SER 743 N -4.49 0.70 0.18 -3.49 3.41 -1.26 -2.14 113.62 106.53 1ggj n SER 743 Ca 0.01 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1ggj n SER 743 Cb 0.25 -0.81 0.32 0.00 -0.26 0.00 0.00 64.21 63.70 1ggj n SER 743 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ggj h ARG 744 N 0.00 0.00 -0.78 4.33 2.43 -1.65 -3.39 114.38 115.32 1ggj h ARG 744 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1ggj h ARG 744 Cb 0.41 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.84 1ggj h ARG 744 CO 0.00 0.00 -0.42 0.82 -1.51 0.00 0.00 179.97 178.86 1ggj h ILE 745 N 0.00 0.06 0.00 1.20 2.04 -1.58 0.16 117.51 119.40 1ggj h ILE 745 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ggj h ILE 745 Cb 0.82 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1ggj h ILE 745 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.50 1ggj n PRO 746 N -5.42 0.18 -0.03 2.37 -0.02 -1.26 -2.34 135.00 128.48 1ggj n PRO 746 Ca 0.05 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1ggj n PRO 746 Cb 0.36 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 1ggj n PRO 746 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ggj n LYS 747 N -0.98 1.55 0.19 -0.52 5.02 0.56 -4.61 118.16 119.35 1ggj n LYS 747 Ca 0.04 -0.04 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1ggj n LYS 747 Cb 0.02 -1.23 0.61 0.00 -0.02 0.00 0.00 35.03 34.40 1ggj n LYS 747 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1ggj h ILE 748 N 0.00 0.00 -0.94 -0.18 3.07 -1.30 -3.12 117.51 115.04 1ggj h ILE 748 Ca -0.14 -0.25 0.19 0.00 1.55 0.00 0.00 64.86 66.21 1ggj h ILE 748 Cb 1.07 1.02 -0.11 0.00 -0.27 0.00 0.00 36.82 38.54 1ggj h ILE 748 CO 0.01 0.00 0.53 -0.78 -1.05 0.00 0.00 178.15 176.86 1ggj h ASP 749 N 0.00 0.64 -0.96 2.16 3.58 -1.82 -2.71 116.42 117.31 1ggj h ASP 749 Ca 0.00 0.11 -0.49 0.00 0.42 0.00 0.00 57.03 57.07 1ggj h ASP 749 Cb 0.32 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.08 1ggj h ASP 749 CO 0.00 0.21 0.61 0.29 -2.88 0.00 0.00 179.24 177.47 1ggj n LYS 750 N -4.85 2.32 -4.01 0.28 4.76 -1.18 -4.85 118.16 110.64 1ggj n LYS 750 Ca 0.22 -3.02 -0.30 0.00 -2.87 0.00 0.00 58.31 52.34 1ggj n LYS 750 Cb 0.56 -2.17 -0.17 0.00 -1.84 0.00 0.00 35.03 31.41 1ggj n LYS 750 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1ggj s ILE 751 N -3.28 1.51 -1.22 -0.18 -1.16 -1.02 -5.06 121.20 110.78 1ggj s ILE 751 Ca 0.56 -0.59 -0.20 0.00 -0.51 0.00 0.00 60.65 59.91 1ggj s ILE 751 Cb 0.48 -1.43 0.03 0.00 0.61 0.00 0.00 42.46 42.15 1ggj s ILE 751 CO 0.11 0.45 1.75 -2.16 -2.81 0.00 0.00 174.94 172.27 1ggj s PRO 752 N 1.50 3.59 0.00 3.50 0.04 -1.26 -5.04 135.00 137.33 1ggj s PRO 752 Ca 0.05 -1.65 0.00 0.00 0.04 0.00 0.00 61.00 59.43 1ggj s PRO 752 Cb -0.13 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1ggj s PRO 752 CO -0.10 -2.64 0.00 0.00 0.04 0.00 0.00 177.00 174.30