#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggj n SER 28 N 0.00 0.00 0.00 -2.24 2.88 -1.26 -5.09 113.62 107.91 1ggj n SER 28 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1ggj n SER 28 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1ggj n SER 28 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ggj n LEU 29 N 0.00 0.65 -4.74 2.46 4.77 -1.26 -4.95 117.00 113.93 1ggj n LEU 29 Ca 0.00 -0.29 -0.34 0.00 -0.03 0.00 0.00 56.01 55.35 1ggj n LEU 29 Cb 0.00 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1ggj n LEU 29 CO 0.00 0.15 0.80 0.00 -1.33 0.00 0.00 177.39 177.01 1ggj s ALA 30 N -3.17 2.30 0.17 -1.18 0.00 -1.26 -4.96 121.76 113.65 1ggj s ALA 30 Ca 0.03 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.53 1ggj s ALA 30 Cb 0.15 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1ggj s ALA 30 CO 0.87 -1.57 1.08 -1.25 0.00 0.00 0.00 175.76 174.88 1ggj s PRO 31 N -3.81 4.61 0.17 0.00 0.04 -1.26 -4.99 135.00 129.76 1ggj s PRO 31 Ca 0.73 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 1ggj s PRO 31 Cb -0.28 -3.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.87 1ggj s PRO 31 CO 0.41 0.10 1.50 -2.00 0.04 0.00 0.00 177.00 177.05 1ggj s GLU 32 N -0.30 4.25 0.00 4.56 2.56 -1.26 -1.89 118.70 126.62 1ggj s GLU 32 Ca 0.49 2.28 0.00 0.00 0.00 0.00 0.00 54.97 57.74 1ggj s GLU 32 Cb -0.28 -3.17 0.00 0.00 2.00 0.00 0.00 34.13 32.68 1ggj s GLU 32 CO 0.34 -0.53 0.00 -0.40 -0.56 0.00 0.00 175.26 174.11 1ggj n ASP 33 N 3.64 0.00 -2.61 -1.70 5.75 -1.26 -4.80 116.55 115.57 1ggj n ASP 33 Ca 0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.69 1ggj n ASP 33 Cb 0.40 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 -0.46 0.00 6.12 0.00 -0.79 -4.89 105.19 105.16 1ggj n GLY 34 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.10 0.00 0.23 1.61 3.41 -1.26 -3.13 113.62 112.39 1ggj n SER 35 Ca -0.17 0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 1ggj n SER 35 Cb 0.65 -0.37 0.47 0.00 -0.26 0.00 0.00 64.21 64.69 1ggj n SER 35 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1ggj h HIS 36 N 0.00 0.00 -3.47 7.33 2.07 -1.90 -3.43 115.15 115.74 1ggj h HIS 36 Ca 0.00 0.00 -0.64 0.00 -2.85 0.00 0.00 60.37 56.88 1ggj h HIS 36 Cb 0.36 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 30.13 1ggj h HIS 36 CO 0.00 0.17 -0.63 0.50 -3.07 0.00 0.00 177.93 174.90 1ggj s ARG 37 N -3.60 3.70 0.36 5.12 6.06 -1.18 -4.97 118.95 124.43 1ggj s ARG 37 Ca 0.01 -0.47 -0.27 0.00 -2.50 0.00 0.00 55.73 52.49 1ggj s ARG 37 Cb 0.09 -3.18 -0.09 0.00 0.06 0.00 0.00 34.95 31.83 1ggj s ARG 37 CO 0.62 0.00 1.24 -1.25 -2.50 0.00 0.00 175.30 173.41 1ggj s PRO 38 N 1.06 4.25 0.56 5.12 0.04 -1.26 -4.98 135.00 139.78 1ggj s PRO 38 Ca 0.03 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 1ggj s PRO 38 Cb -0.14 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1ggj s PRO 38 CO 0.02 -0.21 1.37 0.00 0.04 0.00 0.00 177.00 178.21 1ggj s ALA 39 N -1.24 2.79 -1.21 8.56 0.00 -1.26 -4.90 121.76 124.50 1ggj s ALA 39 Ca 0.52 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.77 1ggj s ALA 39 Cb -0.36 -3.58 0.21 0.00 0.00 0.00 0.00 23.12 19.39 1ggj s ALA 39 CO 0.46 -1.42 1.93 0.00 0.00 0.00 0.00 175.76 176.73 1ggj n ALA 40 N -1.10 5.85 -3.50 0.00 0.00 -1.26 -4.85 120.51 115.65 1ggj n ALA 40 Ca 0.11 -4.41 -0.14 0.00 0.00 0.00 0.00 53.44 49.00 1ggj n ALA 40 Cb 0.45 -2.66 -0.04 0.00 0.00 0.00 0.00 19.45 17.20 1ggj n ALA 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ggj s GLU 41 N -1.48 1.04 0.13 0.00 2.56 -1.24 -4.89 118.70 114.83 1ggj s GLU 41 Ca 0.42 -0.03 -0.35 0.00 0.00 0.00 0.00 54.97 55.01 1ggj s GLU 41 Cb 0.12 0.48 -0.15 0.00 2.00 0.00 0.00 34.13 36.59 1ggj s GLU 41 CO -0.02 -0.38 1.41 -2.30 -0.56 0.00 0.00 175.26 173.41 1ggj n PRO 42 N 0.38 1.57 -3.80 4.30 -0.02 -1.26 -4.98 135.00 131.20 1ggj n PRO 42 Ca -0.16 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1ggj n PRO 42 Cb 0.60 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.71 1ggj n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ggj s THR 43 N 0.51 -0.02 0.82 3.45 -4.23 -0.82 -4.96 115.64 110.39 1ggj s THR 43 Ca 0.80 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 61.25 1ggj s THR 43 Cb -0.82 -0.20 0.06 0.00 1.34 0.00 0.00 72.50 72.87 1ggj s THR 43 CO 0.44 0.03 0.96 -0.81 -0.54 0.00 0.00 174.62 174.70 1ggj n PRO 44 N 3.52 0.11 -1.66 3.99 -0.04 -1.26 -3.07 135.00 136.59 1ggj n PRO 44 Ca -0.18 0.10 -0.51 0.00 -0.04 0.00 0.00 63.50 62.87 1ggj n PRO 44 Cb 0.56 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.73 1ggj n PRO 44 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ggj n PRO 45 N -2.61 1.64 -0.34 0.54 -0.02 -1.26 -2.32 135.00 130.63 1ggj n PRO 45 Ca 0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ggj n PRO 45 Cb 0.51 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 3.53 1.52 0.19 -1.23 0.00 -1.26 -4.91 105.19 103.02 1ggj n GLY 46 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 0.17 -2.47 4.61 0.00 -1.81 -3.46 119.26 116.29 1ggj h ALA 47 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 54.91 53.83 1ggj h ALA 47 Cb 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1ggj h ALA 47 CO 0.00 0.71 -0.73 -0.65 0.00 0.00 0.00 179.25 178.58 1ggj s GLN 48 N -3.30 1.08 0.29 0.00 -1.52 -1.26 -5.10 119.66 109.84 1ggj s GLN 48 Ca -0.09 -1.39 -0.30 0.00 -1.95 0.00 0.00 55.36 51.63 1ggj s GLN 48 Cb 0.07 -0.79 -0.12 0.00 -0.22 0.00 0.00 33.01 31.96 1ggj s GLN 48 CO 0.91 0.12 1.62 -2.30 -0.25 0.00 0.00 175.29 175.39 1ggj n PRO 49 N 0.06 2.73 -1.23 2.91 -0.02 -1.26 -4.96 135.00 133.23 1ggj n PRO 49 Ca -0.12 0.97 -0.30 0.00 -2.02 0.00 0.00 63.50 62.03 1ggj n PRO 49 Cb 0.59 -2.77 0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1ggj n PRO 49 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ggj s THR 50 N 0.12 2.94 0.16 3.45 -4.23 -1.26 -4.60 115.64 112.22 1ggj s THR 50 Ca 0.65 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 61.28 1ggj s THR 50 Cb -0.49 -2.79 0.04 0.00 1.34 0.00 0.00 72.50 70.60 1ggj s THR 50 CO 0.47 -0.40 0.50 0.00 -0.54 0.00 0.00 174.62 174.64 1ggj s ALA 51 N -2.92 -1.13 0.24 3.99 0.00 -1.26 -4.99 121.76 115.70 1ggj s ALA 51 Ca 0.62 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1ggj s ALA 51 Cb -0.18 0.80 -0.15 0.00 0.00 0.00 0.00 23.12 23.59 1ggj s ALA 51 CO 0.57 -0.73 0.95 -2.30 0.00 0.00 0.00 175.76 174.24 1ggj n PRO 52 N -0.31 1.03 -0.23 0.00 -0.02 -1.26 -4.63 135.00 129.58 1ggj n PRO 52 Ca -0.14 0.36 0.02 0.00 -2.02 0.00 0.00 63.50 61.72 1ggj n PRO 52 Cb 0.64 -1.69 0.14 0.00 -0.02 0.00 0.00 33.50 32.57 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 2.09 0.99 2.00 -1.23 0.00 -1.05 -1.47 103.07 104.39 1ggj h GLY 53 Ca -0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1ggj h GLY 53 CO 0.62 -0.05 -0.06 1.48 0.00 0.00 0.00 176.54 178.53 1ggj h SER 54 N 0.43 0.00 0.23 0.19 4.64 -1.83 0.03 113.55 117.23 1ggj h SER 54 Ca 0.36 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.33 1ggj h SER 54 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1ggj h SER 54 CO -0.35 0.06 -1.95 0.18 -0.87 0.00 0.00 176.83 173.90 1ggj n LEU 55 N -3.31 2.06 -0.08 5.97 4.77 -0.83 -3.28 117.00 122.30 1ggj n LEU 55 Ca -0.01 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 1ggj n LEU 55 Cb 0.23 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1ggj n LEU 55 CO 0.27 0.71 0.43 0.50 -1.33 0.00 0.00 177.39 177.97 1ggj h LYS 56 N 0.05 0.85 -2.15 3.23 1.63 -1.06 -3.40 116.57 115.72 1ggj h LYS 56 Ca -0.39 -0.54 -0.57 0.00 -0.85 0.00 0.00 60.65 58.29 1ggj h LYS 56 Cb 2.03 0.07 -0.39 0.00 -0.60 0.00 0.00 32.23 33.34 1ggj h LYS 56 CO 0.08 1.18 -1.04 0.00 -3.45 0.00 0.00 179.45 176.21 1ggj n ALA 57 N -2.57 2.64 0.25 5.00 0.00 -0.02 -3.61 120.51 122.20 1ggj n ALA 57 Ca -0.05 -3.34 0.10 0.00 0.00 0.00 0.00 53.44 50.15 1ggj n ALA 57 Cb 0.62 -0.79 0.63 0.00 0.00 0.00 0.00 19.45 19.91 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 4.60 0.00 -0.00 0.00 0.13 -1.72 -2.33 132.00 132.67 1ggj h PRO 58 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ggj h PRO 58 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1ggj h PRO 58 CO 0.44 0.16 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.81 1ggj n ASP 59 N -3.89 0.51 -4.55 1.44 8.00 -1.26 -4.71 116.55 112.10 1ggj n ASP 59 Ca -0.02 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.75 1ggj n ASP 59 Cb 0.25 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1ggj n ASP 59 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ggj s THR 60 N -2.82 4.24 0.30 -3.53 2.01 -0.88 -5.00 115.64 109.96 1ggj s THR 60 Ca 0.17 0.58 0.06 0.00 0.31 0.00 0.00 61.69 62.81 1ggj s THR 60 Cb 0.18 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 1ggj s THR 60 CO 0.60 -1.19 -0.02 -0.13 -0.69 0.00 0.00 174.62 173.20 1ggj s ARG 61 N 4.35 1.60 0.33 4.92 1.81 -1.26 -5.03 118.95 125.67 1ggj s ARG 61 Ca 0.36 -1.84 -0.18 0.00 -1.72 0.00 0.00 55.73 52.35 1ggj s ARG 61 Cb -0.10 -1.09 0.03 0.00 -0.45 0.00 0.00 34.95 33.34 1ggj s ARG 61 CO 0.22 -0.04 0.73 0.54 -0.68 0.00 0.00 175.30 176.08 1ggj s ASN 62 N -3.47 -0.11 0.24 0.23 2.20 -1.26 -5.00 114.94 107.77 1ggj s ASN 62 Ca 0.32 -0.88 -0.07 0.00 -0.94 0.00 0.00 52.86 51.29 1ggj s ASN 62 Cb 0.06 0.78 0.24 0.00 -2.00 0.00 0.00 41.25 40.32 1ggj s ASN 62 CO 0.13 -1.49 1.90 -0.08 -2.94 0.00 0.00 177.10 174.62 1ggj h GLU 63 N 2.01 1.29 -0.22 3.55 4.81 -1.97 -0.44 114.58 123.61 1ggj h GLU 63 Ca -0.25 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 58.80 1ggj h GLU 63 Cb 1.25 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 1ggj h GLU 63 CO 0.32 0.88 -0.15 -0.22 -0.73 0.00 0.00 179.01 179.11 1ggj h LYS 64 N 1.32 0.50 -0.99 1.92 1.63 -1.96 -0.93 116.57 118.06 1ggj h LYS 64 Ca 0.35 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1ggj h LYS 64 Cb -0.09 -0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 1ggj h LYS 64 CO -0.07 0.80 0.63 -0.07 -3.45 0.00 0.00 179.45 177.29 1ggj h LEU 65 N 0.19 1.15 -0.74 5.20 3.38 -1.90 -1.67 115.31 120.93 1ggj h LEU 65 Ca 0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ggj h LEU 65 Cb 0.67 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ggj h LEU 65 CO 0.04 0.85 -0.46 0.78 0.09 0.00 0.00 178.44 179.74 1ggj h ASN 66 N 1.35 0.42 0.66 -0.43 2.35 -1.03 -2.91 115.58 115.98 1ggj h ASN 66 Ca 0.36 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1ggj h ASN 66 Cb -0.12 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1ggj h ASN 66 CO -0.07 0.82 -0.12 0.77 -1.65 0.00 0.00 177.43 177.18 1ggj h SER 67 N 0.31 0.00 0.73 5.81 4.64 -0.25 -1.83 113.55 122.96 1ggj h SER 67 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ggj h SER 67 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1ggj h SER 67 CO 0.08 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 1ggj n LEU 68 N -3.39 0.00 0.18 5.97 4.77 -0.87 -3.90 117.00 119.76 1ggj n LEU 68 Ca -0.01 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 1ggj n LEU 68 Cb 0.30 -0.37 0.59 0.00 -2.33 0.00 0.00 43.42 41.61 1ggj n LEU 68 CO 0.30 -0.01 1.10 -0.08 -1.33 0.00 0.00 177.39 177.37 1ggj h GLU 69 N 0.00 0.13 0.00 3.23 4.57 -1.39 -1.27 114.58 119.85 1ggj h GLU 69 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ggj h GLU 69 Cb 0.37 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1ggj h GLU 69 CO 0.00 0.09 -0.02 0.38 -1.18 0.00 0.00 179.01 178.27 1ggj h ASP 70 N 0.13 0.00 -0.00 1.04 -0.00 -1.81 -2.65 116.42 113.13 1ggj h ASP 70 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.08 1ggj h ASP 70 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.39 1ggj h ASP 70 CO -0.01 0.02 -0.33 1.33 -0.00 0.00 0.00 179.24 180.26 1ggj n VAL 71 N -3.56 0.00 -2.10 4.15 0.24 -0.52 -5.00 118.33 111.54 1ggj n VAL 71 Ca -0.03 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 1ggj n VAL 71 Cb 0.12 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.62 4.33 -0.07 7.34 0.52 -0.95 -5.01 118.95 123.50 1ggj s ARG 72 Ca 0.04 2.20 0.05 0.00 -0.52 0.00 0.00 55.73 57.50 1ggj s ARG 72 Cb 0.06 -3.12 -0.00 0.00 0.52 0.00 0.00 34.95 32.41 1ggj s ARG 72 CO 0.30 -0.30 -0.21 0.21 0.02 0.00 0.00 175.30 175.32 1ggj s LYS 73 N -0.76 2.39 0.00 3.54 2.20 -1.26 -5.01 119.74 120.83 1ggj s LYS 73 Ca 0.55 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1ggj s LYS 73 Cb -0.40 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1ggj s LYS 73 CO 0.45 0.25 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1ggj n GLY 74 N 3.25 0.38 1.62 5.54 0.00 -1.26 -5.07 105.19 109.65 1ggj n GLY 74 Ca -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.47 0.00 -4.65 1.61 3.41 -1.26 -5.08 113.62 107.19 1ggj n SER 75 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 1ggj n SER 75 Cb 0.00 0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 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 -2.31 1.78 -1.07 4.33 1.02 -1.26 -1.83 120.64 121.30 1ggj n GLU 76 Ca 0.00 0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1ggj n GLU 76 Cb 0.00 -2.14 -0.01 0.00 -0.02 0.00 0.00 31.44 29.27 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 1.21 -4.80 -4.77 1.62 3.02 -1.26 -5.00 115.26 105.28 1ggj n ASN 77 Ca 0.08 0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.38 1ggj n ASN 77 Cb 0.33 -2.51 -0.07 0.00 -0.61 0.00 0.00 39.78 36.92 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 -1.59 3.20 0.33 3.10 2.02 -0.76 -5.09 117.35 118.56 1ggj s TYR 78 Ca 0.00 0.10 -0.27 0.00 -0.37 0.00 0.00 57.07 56.53 1ggj s TYR 78 Cb 0.00 -1.65 -0.09 0.00 -0.40 0.00 0.00 41.96 39.82 1ggj s TYR 78 CO 0.00 0.52 1.04 0.00 -1.57 0.00 0.00 175.55 175.54 1ggj s ALA 79 N -1.34 3.24 -0.04 3.71 0.00 -1.26 -5.00 121.76 121.07 1ggj s ALA 79 Ca 0.28 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1ggj s ALA 79 Cb -0.12 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1ggj s ALA 79 CO 0.20 -0.09 1.21 -1.17 0.00 0.00 0.00 175.76 175.91 1ggj s LEU 80 N -1.99 4.29 0.30 0.00 2.96 -1.26 -5.00 118.68 117.99 1ggj s LEU 80 Ca 0.50 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 56.29 1ggj s LEU 80 Cb -0.25 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 1ggj s LEU 80 CO 0.32 -0.57 0.11 0.42 -1.32 0.00 0.00 176.35 175.31 1ggj s THR 81 N 2.04 0.62 1.07 3.68 -4.23 -1.26 -1.26 115.64 116.30 1ggj s THR 81 Ca 0.57 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1ggj s THR 81 Cb -0.26 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1ggj s THR 81 CO 0.23 0.00 1.18 0.35 -0.54 0.00 0.00 174.62 175.84 1ggj n THR 82 N -0.59 0.00 0.32 3.99 -2.24 0.49 -4.86 114.28 111.39 1ggj n THR 82 Ca -0.01 -0.72 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1ggj n THR 82 Cb 0.66 -1.38 0.56 0.00 -2.10 0.00 0.00 70.33 68.06 1ggj n THR 82 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1ggj h ASN 83 N -2.16 0.00 -0.23 3.42 2.35 -1.98 -2.40 115.58 114.57 1ggj h ASN 83 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 1ggj h ASN 83 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1ggj h ASN 83 CO 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 176.06 1ggj n GLN 84 N -2.84 1.92 -0.51 0.81 1.13 -1.26 -4.94 117.38 111.68 1ggj n GLN 84 Ca 0.02 -1.38 0.00 0.00 -1.94 0.00 0.00 57.00 53.69 1ggj n GLN 84 Cb 0.32 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 1.21 0.74 3.69 1.08 0.00 -0.90 -5.05 105.19 105.96 1ggj n GLY 85 Ca 0.17 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 4.99 0.32 1.61 1.01 -1.26 -4.81 120.40 120.27 1ggj s VAL 86 Ca 0.00 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1ggj s VAL 86 Cb 0.00 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 1ggj s VAL 86 CO 0.00 0.14 1.44 -0.13 0.00 0.00 0.00 175.10 176.55 1ggj s ARG 87 N 1.53 4.22 -0.20 2.72 0.52 -1.26 -0.38 118.95 126.10 1ggj s ARG 87 Ca 0.35 2.40 -0.11 0.00 -0.52 0.00 0.00 55.73 57.84 1ggj s ARG 87 Cb -0.17 -3.04 -0.05 0.00 0.52 0.00 0.00 34.95 32.21 1ggj s ARG 87 CO 0.14 -0.42 0.19 0.42 0.02 0.00 0.00 175.30 175.65 1ggj s ILE 88 N -0.67 5.36 -0.13 1.52 1.01 -0.39 -4.89 121.20 123.02 1ggj s ILE 88 Ca 0.55 0.30 -0.17 0.00 0.00 0.00 0.00 60.65 61.33 1ggj s ILE 88 Cb -0.44 -3.53 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 1ggj s ILE 88 CO 0.53 0.39 0.48 0.00 0.00 0.00 0.00 174.94 176.34 1ggj h ALA 89 N 6.92 0.21 -3.40 9.38 0.00 -1.94 -3.45 119.26 126.97 1ggj h ALA 89 Ca -0.40 -1.10 -0.58 0.00 0.00 0.00 0.00 54.91 52.83 1ggj h ALA 89 Cb 1.16 0.52 -0.39 0.00 0.00 0.00 0.00 17.79 19.08 1ggj h ALA 89 CO 0.73 0.79 -0.77 0.34 0.00 0.00 0.00 179.25 180.34 1ggj s ASP 90 N -6.94 3.72 -0.33 0.00 3.68 -1.26 -4.97 116.67 110.57 1ggj s ASP 90 Ca -0.22 -1.29 0.10 0.00 2.13 0.00 0.00 52.55 53.27 1ggj s ASP 90 Cb 0.04 -0.97 0.72 0.00 -1.45 0.00 0.00 42.92 41.27 1ggj s ASP 90 CO 0.72 -0.32 1.79 -0.67 0.13 0.00 0.00 175.17 176.83 1ggj n ASP 91 N 4.79 4.57 -0.00 -0.34 4.64 -1.26 -4.05 116.55 124.90 1ggj n ASP 91 Ca -0.07 -3.29 0.04 0.00 -1.38 0.00 0.00 54.79 50.09 1ggj n ASP 91 Cb 0.44 -0.74 -0.06 0.00 -1.04 0.00 0.00 41.12 39.72 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 3.04 -4.03 -0.67 1.13 -1.26 -5.05 117.38 110.21 1ggj n GLN 92 Ca 0.42 -0.02 -0.11 0.00 -1.94 0.00 0.00 57.00 55.35 1ggj n GLN 92 Cb 1.38 -1.00 -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 -2.17 0.55 0.42 1.08 0.01 -1.26 -5.14 114.94 108.42 1ggj s ASN 93 Ca 0.02 -0.58 -0.15 0.00 -0.71 0.00 0.00 52.86 51.44 1ggj s ASN 93 Cb 0.06 0.08 -0.08 0.00 0.41 0.00 0.00 41.25 41.72 1ggj s ASN 93 CO 0.37 -0.29 0.86 -0.44 -1.51 0.00 0.00 177.10 176.09 1ggj s SER 94 N -1.67 6.70 -0.03 -1.22 0.01 -1.26 -4.96 113.70 111.26 1ggj s SER 94 Ca -0.11 1.41 -0.30 0.00 1.31 0.00 0.00 55.95 58.26 1ggj s SER 94 Cb -0.08 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1ggj s SER 94 CO -0.01 -0.39 1.08 -0.22 0.41 0.00 0.00 173.24 174.11 1ggj s LEU 95 N -3.54 4.31 0.14 2.44 2.96 -1.26 -5.01 118.68 118.72 1ggj s LEU 95 Ca 0.56 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 1ggj s LEU 95 Cb -0.10 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1ggj s LEU 95 CO 0.24 -0.43 0.02 0.00 -1.32 0.00 0.00 176.35 174.85 1ggj s ARG 96 N 1.59 0.96 -0.90 1.98 1.70 -1.26 -1.38 118.95 121.64 1ggj s ARG 96 Ca 0.53 -1.45 -0.19 0.00 -0.47 0.00 0.00 55.73 54.16 1ggj s ARG 96 Cb -0.23 -0.00 0.13 0.00 -0.57 0.00 0.00 34.95 34.28 1ggj s ARG 96 CO 0.24 -0.17 1.09 0.00 -1.08 0.00 0.00 175.30 175.37 1ggj s ALA 97 N -3.84 3.38 0.00 7.88 0.00 -0.79 -4.76 121.76 123.63 1ggj s ALA 97 Ca 0.21 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1ggj s ALA 97 Cb 0.07 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1ggj s ALA 97 CO 0.01 -2.92 0.00 0.41 0.00 0.00 0.00 175.76 173.26 1ggj n GLY 98 N 5.41 1.71 0.13 0.00 0.00 -1.26 -3.54 105.19 107.64 1ggj n GLY 98 Ca 0.21 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.16 0.63 -0.38 1.61 3.41 -1.26 -1.30 113.62 116.17 1ggj n SER 99 Ca 0.00 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1ggj n SER 99 Cb 0.00 -0.80 0.17 0.00 -0.26 0.00 0.00 64.21 63.33 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 -2.22 2.03 -1.17 4.33 1.74 -1.26 -5.07 116.66 115.04 1ggj n ARG 100 Ca 0.02 -2.59 -0.06 0.00 -0.77 0.00 0.00 57.85 54.45 1ggj n ARG 100 Cb 0.20 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 -0.98 0.82 3.79 -0.13 0.00 -0.42 -5.05 105.19 103.22 1ggj n GLY 101 Ca 0.17 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.09 4.30 0.22 1.61 0.04 -1.26 -4.59 135.00 132.24 1ggj s PRO 102 Ca 0.18 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1ggj s PRO 102 Cb -0.01 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1ggj s PRO 102 CO 0.12 0.01 1.22 0.99 0.04 0.00 0.00 177.00 179.38 1ggj s THR 103 N -1.79 3.38 0.10 1.26 2.01 -1.26 -1.88 115.64 117.45 1ggj s THR 103 Ca 0.57 1.21 -0.10 0.00 0.31 0.00 0.00 61.69 63.68 1ggj s THR 103 Cb -0.17 -3.77 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 1ggj s THR 103 CO 0.22 0.22 0.43 -0.76 -0.69 0.00 0.00 174.62 174.04 1ggj s LEU 104 N -0.62 4.33 0.55 4.42 1.43 -0.48 -4.93 118.68 123.39 1ggj s LEU 104 Ca 0.52 0.83 0.30 0.00 -1.03 0.00 0.00 54.13 54.74 1ggj s LEU 104 Cb -0.34 -3.08 1.63 0.00 0.03 0.00 0.00 46.19 44.43 1ggj s LEU 104 CO 0.40 0.14 2.14 0.25 0.23 0.00 0.00 176.35 179.51 1ggj h LEU 105 N 3.58 0.00 0.00 1.79 5.85 -1.95 -2.49 115.31 122.10 1ggj h LEU 105 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 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 0.67 0.07 0.00 -1.84 -0.34 0.00 0.00 178.44 177.00 1ggj n GLU 106 N -3.63 0.26 -2.26 1.25 0.28 -1.26 -4.51 120.64 110.77 1ggj n GLU 106 Ca -0.02 0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.74 1ggj n GLU 106 Cb 0.19 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.51 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 -2.64 5.70 0.37 -1.84 3.68 -0.94 -4.75 116.67 116.25 1ggj s ASP 107 Ca 0.19 -0.94 0.25 0.00 2.13 0.00 0.00 52.55 54.18 1ggj s ASP 107 Cb 0.14 -2.56 0.66 0.00 -1.45 0.00 0.00 42.92 39.71 1ggj s ASP 107 CO 0.34 -2.23 1.72 2.19 0.13 0.00 0.00 175.17 177.31 1ggj h PHE 108 N 10.79 0.00 0.01 -5.34 -0.00 -1.90 -2.29 116.94 118.21 1ggj h PHE 108 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.98 1ggj h PHE 108 Cb 1.01 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.97 1ggj h PHE 108 CO 1.24 0.00 -0.43 0.82 -0.00 0.00 0.00 178.31 179.94 1ggj h ILE 109 N 0.00 1.51 0.28 0.88 2.04 -1.97 -1.42 117.51 118.83 1ggj h ILE 109 Ca 0.00 -2.07 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 1ggj h ILE 109 Cb 0.81 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 1ggj h ILE 109 CO 0.00 0.58 -0.18 0.25 0.00 0.00 0.00 178.15 178.80 1ggj h LEU 110 N -0.36 -0.45 -1.15 1.44 5.85 -1.92 -2.47 115.31 116.25 1ggj h LEU 110 Ca -0.06 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ggj h LEU 110 Cb 1.18 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1ggj h LEU 110 CO 0.08 -0.29 0.58 0.03 -0.34 0.00 0.00 178.44 178.51 1ggj h ARG 111 N -0.44 1.13 -0.27 1.25 3.08 -1.46 -0.94 114.38 116.73 1ggj h ARG 111 Ca -0.02 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1ggj h ARG 111 Cb 0.37 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1ggj h ARG 111 CO 0.02 0.75 -0.03 1.49 -1.07 0.00 0.00 179.97 181.13 1ggj h GLU 112 N 1.17 0.49 -0.56 0.04 4.81 -1.10 -0.53 114.58 118.89 1ggj h GLU 112 Ca 0.33 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1ggj h GLU 112 Cb -0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1ggj h GLU 112 CO -0.08 0.68 0.18 -0.22 -0.73 0.00 0.00 179.01 178.84 1ggj h LYS 113 N 0.26 0.87 -0.28 1.92 3.64 -1.16 -1.17 116.57 120.65 1ggj h LYS 113 Ca 0.07 -0.18 -0.14 0.00 -1.27 0.00 0.00 60.65 59.13 1ggj h LYS 113 Cb 0.47 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ggj h LYS 113 CO 0.02 0.78 -0.41 0.82 -2.27 0.00 0.00 179.45 178.39 1ggj h ILE 114 N 0.78 1.29 -0.48 2.00 1.08 -1.21 -2.60 117.51 118.38 1ggj h ILE 114 Ca 0.18 -1.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.07 1ggj h ILE 114 Cb 0.27 1.52 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1ggj h ILE 114 CO -0.01 0.51 0.29 0.74 -0.69 0.00 0.00 178.15 178.99 1ggj h THR 115 N 0.54 1.15 -0.50 -0.27 2.02 -0.85 0.35 112.91 115.34 1ggj h THR 115 Ca 0.04 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1ggj h THR 115 Cb 0.94 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1ggj h THR 115 CO 0.08 0.15 0.15 -0.74 0.37 0.00 0.00 175.52 175.53 1ggj h HIS 116 N 0.64 0.82 -0.61 3.16 -0.00 -1.16 -2.53 115.15 115.47 1ggj h HIS 116 Ca 0.17 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 1ggj h HIS 116 Cb -0.01 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 1ggj h HIS 116 CO -0.03 0.72 0.37 0.35 -0.00 0.00 0.00 177.93 179.34 1ggj h PHE 117 N 0.69 0.79 0.00 5.26 3.57 -1.18 -2.34 116.94 123.73 1ggj h PHE 117 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ggj h PHE 117 Cb 0.29 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1ggj h PHE 117 CO 0.02 0.53 0.00 -0.44 -2.23 0.00 0.00 178.31 176.19 1ggj h ASP 118 N 0.82 0.00 -0.14 0.41 3.45 -0.06 -2.97 116.42 117.93 1ggj h ASP 118 Ca 0.22 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.55 1ggj h ASP 118 Cb -0.04 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.57 1ggj h ASP 118 CO -0.04 0.00 -0.69 1.41 -1.57 0.00 0.00 179.24 178.35 1ggj n HIS 119 N -2.91 0.49 -0.02 4.55 8.25 -0.91 -4.82 115.22 119.84 1ggj n HIS 119 Ca -0.01 -1.45 -0.08 0.00 -0.26 0.00 0.00 57.72 55.92 1ggj n HIS 119 Cb 0.15 -0.24 0.10 0.00 1.12 0.00 0.00 29.99 31.12 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 1.27 0.61 -6.73 -0.41 5.08 -1.31 -3.45 114.58 109.64 1ggj h GLU 120 Ca 0.01 -0.30 -0.49 0.00 -1.00 0.00 0.00 59.36 57.57 1ggj h GLU 120 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1ggj h GLU 120 CO 0.15 0.90 0.24 1.03 -1.00 0.00 0.00 179.01 180.32 1ggj s ARG 121 N -4.30 4.45 0.23 2.33 1.81 -1.26 -5.08 118.95 117.13 1ggj s ARG 121 Ca -0.08 1.13 0.11 0.00 -1.72 0.00 0.00 55.73 55.17 1ggj s ARG 121 Cb 0.12 -2.87 -0.05 0.00 -0.45 0.00 0.00 34.95 31.70 1ggj s ARG 121 CO 0.83 0.35 -0.20 0.96 -0.68 0.00 0.00 175.30 176.56 1ggj s ILE 122 N -1.54 2.27 0.20 1.52 -4.36 -1.26 -5.10 121.20 112.94 1ggj s ILE 122 Ca 0.46 -2.21 -0.32 0.00 -0.26 0.00 0.00 60.65 58.31 1ggj s ILE 122 Cb -0.18 -2.16 -0.14 0.00 1.25 0.00 0.00 42.46 41.23 1ggj s ILE 122 CO 0.23 -0.33 1.45 -2.65 0.24 0.00 0.00 174.94 173.88 1ggj n PRO 123 N -0.21 1.98 -1.70 0.37 -0.02 -1.26 -4.98 135.00 129.18 1ggj n PRO 123 Ca -0.09 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 1ggj n PRO 123 Cb 0.58 -2.39 0.08 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.07 2.17 0.51 -0.52 -1.05 -1.26 -4.82 118.70 113.80 1ggj s GLU 124 Ca 0.73 0.46 -0.23 0.00 -0.15 0.00 0.00 54.97 55.78 1ggj s GLU 124 Cb -0.69 -1.94 -0.06 0.00 -0.44 0.00 0.00 34.13 31.00 1ggj s GLU 124 CO 0.46 -1.52 1.33 0.54 0.95 0.00 0.00 175.26 177.02 1ggj n ARG 125 N -3.33 1.78 -0.27 -4.83 1.74 -1.26 -4.91 116.66 105.58 1ggj n ARG 125 Ca 0.07 0.65 -0.04 0.00 -0.77 0.00 0.00 57.85 57.75 1ggj n ARG 125 Cb 0.58 -2.52 0.06 0.00 -1.02 0.00 0.00 32.46 29.56 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 1.64 1.19 -3.32 0.55 1.08 -1.98 -3.36 117.51 113.31 1ggj h ILE 126 Ca -0.50 -0.35 -0.37 0.00 -0.39 0.00 0.00 64.86 63.25 1ggj h ILE 126 Cb 1.30 0.08 -0.15 0.00 -3.07 0.00 0.00 36.82 34.98 1ggj h ILE 126 CO 0.58 0.19 -0.73 0.68 -0.69 0.00 0.00 178.15 178.18 1ggj s VAL 127 N -6.14 1.31 -1.40 1.67 -7.23 -1.26 -4.79 120.40 102.56 1ggj s VAL 127 Ca -0.13 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.01 1ggj s VAL 127 Cb 0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1ggj s VAL 127 CO 0.78 -0.66 0.00 1.41 -0.31 0.00 0.00 175.10 176.32 1ggj n HIS 128 N -0.10 -0.48 -0.14 2.82 8.25 -0.25 -4.90 115.22 120.42 1ggj n HIS 128 Ca -0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1ggj n HIS 128 Cb 0.60 -2.99 0.41 0.00 1.12 0.00 0.00 29.99 29.12 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 0.48 1.81 -2.21 -1.41 0.00 -1.71 -3.38 119.26 112.84 1ggj h ALA 129 Ca -0.34 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.93 1ggj h ALA 129 Cb 1.17 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 1ggj h ALA 129 CO 0.43 0.08 0.32 0.50 0.00 0.00 0.00 179.25 180.58 1ggj s ARG 130 N -5.57 3.72 0.00 0.00 6.06 -1.25 -4.06 118.95 117.86 1ggj s ARG 130 Ca -0.09 0.23 -0.25 0.00 -2.50 0.00 0.00 55.73 53.12 1ggj s ARG 130 Cb 0.19 -3.81 0.05 0.00 0.06 0.00 0.00 34.95 31.44 1ggj s ARG 130 CO 0.76 -0.83 0.55 0.20 -2.50 0.00 0.00 175.30 173.48 1ggj s GLY 131 N 1.84 -0.45 -0.06 8.12 0.00 -1.26 -1.50 107.32 114.00 1ggj s GLY 131 Ca 0.29 0.83 0.04 0.00 0.00 0.00 0.00 44.72 45.88 1ggj s GLY 131 CO 0.17 0.52 -0.18 -0.56 0.00 0.00 0.00 173.10 173.04 1ggj s SER 132 N -1.59 2.34 0.11 1.64 0.01 0.75 -4.93 113.70 112.03 1ggj s SER 132 Ca -0.09 -0.40 0.04 0.00 1.31 0.00 0.00 55.95 56.82 1ggj s SER 132 Cb -0.01 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 1ggj s SER 132 CO 0.03 0.13 -0.11 0.00 0.41 0.00 0.00 173.24 173.70 1ggj s ALA 133 N 0.25 1.24 0.09 1.44 0.00 -1.26 0.12 121.76 123.64 1ggj s ALA 133 Ca -0.10 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.50 1ggj s ALA 133 Cb -0.14 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1ggj s ALA 133 CO 0.04 -0.00 0.31 0.00 0.00 0.00 0.00 175.76 176.10 1ggj s ALA 134 N -2.41 -0.63 0.30 0.00 0.00 -0.31 -4.45 121.76 114.26 1ggj s ALA 134 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1ggj s ALA 134 Cb -0.03 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1ggj s ALA 134 CO 0.01 -0.54 0.55 -1.01 0.00 0.00 0.00 175.76 174.76 1ggj s HIS 135 N -3.51 3.49 0.00 0.00 3.76 0.11 -1.16 115.29 117.97 1ggj s HIS 135 Ca 0.02 0.56 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1ggj s HIS 135 Cb 0.02 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1ggj s HIS 135 CO -0.10 0.16 0.00 0.41 -0.85 0.00 0.00 174.74 174.37 1ggj n GLY 136 N -1.14 1.42 3.21 -2.22 0.00 -0.40 -1.48 105.19 104.58 1ggj n GLY 136 Ca -0.03 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.37 0.02 0.08 1.61 -0.85 0.09 -0.17 117.35 115.77 1ggj s TYR 137 Ca 0.00 -0.26 0.07 0.00 -0.52 0.00 0.00 57.07 56.35 1ggj s TYR 137 Cb 0.00 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 1ggj s TYR 137 CO 0.00 -0.49 -0.18 0.12 -1.52 0.00 0.00 175.55 173.49 1ggj s PHE 138 N -2.89 1.52 -0.21 -3.49 5.36 0.24 -0.44 117.98 118.07 1ggj s PHE 138 Ca -0.03 -0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 55.40 1ggj s PHE 138 Cb 0.00 -0.84 0.07 0.00 -0.34 0.00 0.00 43.02 41.91 1ggj s PHE 138 CO -0.06 0.13 0.50 -1.14 -1.46 0.00 0.00 175.22 173.19 1ggj s GLN 139 N -1.77 0.48 0.53 10.12 0.74 -0.86 -0.72 119.66 128.18 1ggj s GLN 139 Ca 0.03 0.98 -0.19 0.00 0.05 0.00 0.00 55.36 56.22 1ggj s GLN 139 Cb -0.10 0.11 -0.06 0.00 1.10 0.00 0.00 33.01 34.06 1ggj s GLN 139 CO 0.03 -0.17 1.09 -1.25 -0.55 0.00 0.00 175.29 174.45 1ggj s PRO 140 N 1.69 3.48 0.11 1.67 0.04 -1.26 -1.53 135.00 139.20 1ggj s PRO 140 Ca -0.09 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1ggj s PRO 140 Cb -0.08 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.30 1ggj s PRO 140 CO -0.15 -0.73 1.30 1.88 0.04 0.00 0.00 177.00 179.35 1ggj h TYR 141 N 1.22 0.88 -3.82 0.56 0.99 -1.29 -3.38 116.97 112.14 1ggj h TYR 141 Ca -0.50 -0.43 -0.09 0.00 2.00 0.00 0.00 58.73 59.72 1ggj h TYR 141 Cb 1.24 -0.12 -0.14 0.00 1.00 0.00 0.00 36.73 38.72 1ggj h TYR 141 CO 0.54 1.25 -0.35 -1.59 -0.00 0.00 0.00 178.16 178.00 1ggj s LYS 142 N -3.53 0.94 0.34 4.88 -2.85 -1.26 -4.70 119.74 113.56 1ggj s LYS 142 Ca -0.08 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.58 1ggj s LYS 142 Cb 0.09 0.36 -0.11 0.00 -2.06 0.00 0.00 37.83 36.10 1ggj s LYS 142 CO 0.89 -0.32 1.54 0.45 0.10 0.00 0.00 175.35 178.02 1ggj s SER 143 N -2.89 6.34 -0.20 0.03 0.15 -1.26 -4.68 113.70 111.20 1ggj s SER 143 Ca 0.09 3.02 0.16 0.00 0.70 0.00 0.00 55.95 59.91 1ggj s SER 143 Cb 0.04 -2.65 0.58 0.00 -1.71 0.00 0.00 66.02 62.28 1ggj s SER 143 CO -0.08 -0.90 1.49 0.18 1.20 0.00 0.00 173.24 175.12 1ggj n LEU 144 N 1.25 4.24 -0.28 3.45 4.77 0.10 -4.73 117.00 125.81 1ggj n LEU 144 Ca 0.04 -3.04 0.22 0.00 -0.03 0.00 0.00 56.01 53.20 1ggj n LEU 144 Cb 0.38 -0.58 0.53 0.00 -2.33 0.00 0.00 43.42 41.43 1ggj n LEU 144 CO 0.64 0.69 1.23 0.28 -1.33 0.00 0.00 177.39 178.90 1ggj h SER 145 N 2.13 0.39 -0.63 -1.43 0.02 -1.74 -0.05 113.55 112.23 1ggj h SER 145 Ca 0.02 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1ggj h SER 145 Cb 1.56 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.05 1ggj h SER 145 CO 0.29 0.12 0.41 0.44 -1.14 0.00 0.00 176.83 176.95 1ggj h ASP 146 N 0.37 0.64 0.00 3.07 3.45 -1.98 -3.28 116.42 118.69 1ggj h ASP 146 Ca 0.52 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.97 1ggj h ASP 146 Cb 1.38 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1ggj h ASP 146 CO -0.21 0.44 -1.08 2.30 -1.57 0.00 0.00 179.24 179.13 1ggj n ILE 147 N -4.46 0.00 -3.73 0.35 -5.35 -0.35 -4.84 119.36 100.98 1ggj n ILE 147 Ca 0.08 -0.25 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1ggj n ILE 147 Cb 0.14 0.57 -0.09 0.00 -1.74 0.00 0.00 39.64 38.51 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 -2.44 0.01 -1.81 7.28 -1.32 -0.18 -3.31 115.64 113.87 1ggj s THR 148 Ca -0.01 -0.12 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 1ggj s THR 148 Cb 0.08 -0.61 0.62 0.00 -1.51 0.00 0.00 72.50 71.08 1ggj s THR 148 CO 0.45 -0.07 1.52 2.29 -2.21 0.00 0.00 174.62 176.61 1ggj n LYS 149 N 2.34 2.82 -1.68 7.08 2.85 -0.63 -3.50 118.16 127.44 1ggj n LYS 149 Ca -0.16 -2.52 -0.42 0.00 -1.05 0.00 0.00 58.31 54.16 1ggj n LYS 149 Cb 0.57 -1.61 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 1ggj n LYS 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ggj n ALA 150 N 1.40 1.94 -0.34 0.58 0.00 -1.23 -4.69 120.51 118.18 1ggj n ALA 150 Ca 0.23 0.27 0.03 0.00 0.00 0.00 0.00 53.44 53.97 1ggj n ALA 150 Cb 0.64 -2.63 0.20 0.00 0.00 0.00 0.00 19.45 17.66 1ggj n ALA 150 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ggj h ASP 151 N 9.37 0.99 0.50 0.00 3.58 -1.92 -2.61 116.42 126.33 1ggj h ASP 151 Ca -0.48 0.01 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1ggj h ASP 151 Cb 1.23 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1ggj h ASP 151 CO 0.95 0.64 0.00 2.19 -2.88 0.00 0.00 179.24 180.13 1ggj h PHE 152 N 1.13 0.00 -0.42 0.28 -5.15 -1.96 -1.75 116.94 109.07 1ggj h PHE 152 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1ggj h PHE 152 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 1ggj h PHE 152 CO -0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 1ggj n LEU 153 N -2.35 3.62 0.03 2.10 4.77 -0.99 -4.54 117.00 119.64 1ggj n LEU 153 Ca 0.01 -2.33 0.12 0.00 -0.03 0.00 0.00 56.01 53.77 1ggj n LEU 153 Cb 0.17 -0.40 0.15 0.00 -2.33 0.00 0.00 43.42 41.01 1ggj n LEU 153 CO 0.17 0.76 0.28 -1.54 -1.33 0.00 0.00 177.39 175.73 1ggj n SER 154 N 0.49 0.62 -3.67 -1.43 3.41 -0.66 0.02 113.62 112.42 1ggj n SER 154 Ca 0.18 -0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.62 1ggj n SER 154 Cb 0.65 0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 64.87 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 -3.80 -0.71 0.59 4.04 3.68 -1.26 -4.47 116.67 114.74 1ggj s ASP 155 Ca 0.07 1.18 0.29 0.00 2.13 0.00 0.00 52.55 56.22 1ggj s ASP 155 Cb 0.15 1.06 1.72 0.00 -1.45 0.00 0.00 42.92 44.41 1ggj s ASP 155 CO 0.74 -0.21 2.15 1.55 0.13 0.00 0.00 175.17 179.52 1ggj h PRO 156 N 7.08 0.00 -0.07 4.34 0.13 -1.83 0.10 132.00 141.75 1ggj h PRO 156 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1ggj h PRO 156 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ggj h PRO 156 CO 0.23 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.09 1ggj n ASN 157 N -3.78 1.90 -4.58 1.44 3.02 -1.26 -4.49 115.26 107.50 1ggj n ASN 157 Ca 0.00 -1.65 -0.43 0.00 -0.03 0.00 0.00 54.58 52.47 1ggj n ASN 157 Cb 0.25 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 1ggj n ASN 157 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ggj s LYS 158 N -1.93 3.67 -0.19 3.52 2.20 0.35 -5.02 119.74 122.33 1ggj s LYS 158 Ca 0.35 0.28 -0.13 0.00 -0.36 0.00 0.00 55.97 56.11 1ggj s LYS 158 Cb 0.20 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1ggj s LYS 158 CO 0.31 -1.00 0.28 0.42 -0.36 0.00 0.00 175.35 175.00 1ggj s ILE 159 N 3.37 5.30 -0.23 5.43 -1.09 -1.26 -4.38 121.20 128.34 1ggj s ILE 159 Ca 0.34 0.48 -0.02 0.00 -2.23 0.00 0.00 60.65 59.21 1ggj s ILE 159 Cb -0.12 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.16 1ggj s ILE 159 CO 0.20 0.35 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.31 1ggj s THR 160 N 0.80 3.03 0.42 2.92 2.01 0.10 -4.96 115.64 119.96 1ggj s THR 160 Ca 0.14 -0.76 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1ggj s THR 160 Cb -0.13 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.85 1ggj s THR 160 CO 0.04 0.34 1.41 -2.84 -0.69 0.00 0.00 174.62 172.88 1ggj s PRO 161 N 1.40 3.86 0.14 4.92 0.02 -1.26 -0.59 135.00 143.49 1ggj s PRO 161 Ca 0.03 2.39 0.03 0.00 0.02 0.00 0.00 61.00 63.47 1ggj s PRO 161 Cb -0.15 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.57 1ggj s PRO 161 CO -0.05 -0.66 -0.07 0.14 -0.33 0.00 0.00 177.00 176.03 1ggj s VAL 162 N -1.20 0.96 -0.18 3.83 -7.23 0.76 -1.48 120.40 115.87 1ggj s VAL 162 Ca 0.58 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.69 1ggj s VAL 162 Cb -0.43 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 34.69 1ggj s VAL 162 CO 0.56 -0.71 0.08 0.12 -0.31 0.00 0.00 175.10 174.84 1ggj s PHE 163 N -3.46 0.37 -0.11 2.82 5.36 -0.73 -1.28 117.98 120.96 1ggj s PHE 163 Ca 0.17 -0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1ggj s PHE 163 Cb 0.04 -0.77 -0.03 0.00 -0.34 0.00 0.00 43.02 41.92 1ggj s PHE 163 CO 0.00 -0.54 0.03 0.08 -1.46 0.00 0.00 175.22 173.33 1ggj s VAL 164 N 2.08 4.51 -0.11 3.12 1.01 -0.31 -0.67 120.40 130.02 1ggj s VAL 164 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ggj s VAL 164 Cb -0.16 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1ggj s VAL 164 CO -0.09 0.58 -0.15 -0.60 0.00 0.00 0.00 175.10 174.85 1ggj s ARG 165 N -0.66 2.17 0.10 2.72 3.52 0.43 -1.16 118.95 126.08 1ggj s ARG 165 Ca 0.11 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1ggj s ARG 165 Cb -0.12 -1.88 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1ggj s ARG 165 CO 0.02 -0.09 0.24 -0.06 -0.81 0.00 0.00 175.30 174.60 1ggj s PHE 166 N 1.08 3.50 0.29 5.12 0.40 0.12 -1.50 117.98 126.98 1ggj s PHE 166 Ca -0.05 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.35 1ggj s PHE 166 Cb -0.15 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.67 1ggj s PHE 166 CO -0.03 0.56 0.54 -1.54 0.70 0.00 0.00 175.22 175.45 1ggj s SER 167 N -2.80 0.11 0.11 1.36 1.04 -0.82 -0.18 113.70 112.52 1ggj s SER 167 Ca 0.35 -1.04 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1ggj s SER 167 Cb -0.12 0.65 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1ggj s SER 167 CO 0.28 -1.27 0.15 0.35 0.98 0.00 0.00 173.24 173.73 1ggj n THR 168 N -0.45 0.00 -0.01 2.02 -2.24 -0.56 0.40 114.28 113.44 1ggj n THR 168 Ca -0.02 -0.38 -0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1ggj n THR 168 Cb 0.61 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.20 0.89 -0.05 2.28 0.31 -1.24 -3.80 118.33 115.52 1ggj n VAL 169 Ca 0.03 0.13 -0.14 0.00 -0.01 0.00 0.00 64.34 64.36 1ggj n VAL 169 Cb 0.12 -1.70 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 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 -0.27 -0.00 -7.23 5.55 -0.00 -1.95 -0.66 115.11 110.56 1ggj h GLN 170 Ca -0.09 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.04 1ggj h GLN 170 Cb 0.68 0.00 0.20 0.00 0.00 0.00 0.00 27.48 28.36 1ggj h GLN 170 CO -0.05 0.80 0.19 0.41 0.00 0.00 0.00 178.83 180.17 1ggj n GLY 171 N 1.08 -0.42 3.79 2.39 0.00 -1.26 -4.76 105.19 106.00 1ggj n GLY 171 Ca -0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1ggj n GLY 171 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ggj s GLY 172 N -2.52 1.67 0.51 -0.02 0.00 -1.26 -3.79 107.32 101.91 1ggj s GLY 172 Ca 0.67 -0.98 0.21 0.00 0.00 0.00 0.00 44.72 44.62 1ggj s GLY 172 CO 0.57 -0.22 2.04 0.00 0.00 0.00 0.00 173.10 175.50 1ggj h ALA 173 N -1.92 2.27 -0.56 3.20 0.00 -1.94 -0.75 119.26 119.56 1ggj h ALA 173 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ggj h ALA 173 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ggj h ALA 173 CO 0.42 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ggj n GLY 174 N -1.59 2.21 3.86 0.00 0.00 -1.26 -4.64 105.19 103.78 1ggj n GLY 174 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.86 3.14 0.44 1.61 1.04 -0.29 -5.05 113.70 113.73 1ggj s SER 175 Ca 0.43 0.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.28 1ggj s SER 175 Cb 0.27 -0.73 -0.05 0.00 0.10 0.00 0.00 66.02 65.61 1ggj s SER 175 CO 0.22 -2.74 0.78 0.00 0.98 0.00 0.00 173.24 172.48 1ggj s ALA 176 N -3.64 3.36 -0.05 5.32 0.00 -1.26 -4.91 121.76 120.59 1ggj s ALA 176 Ca 0.70 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 1ggj s ALA 176 Cb -0.07 -2.67 -0.31 0.00 0.00 0.00 0.00 23.12 20.07 1ggj s ALA 176 CO 0.53 -0.15 0.89 -0.44 0.00 0.00 0.00 175.76 176.58 1ggj h ASP 177 N 0.84 0.46 -0.35 0.00 3.45 -0.81 -3.38 116.42 116.62 1ggj h ASP 177 Ca -0.47 -0.96 -0.22 0.00 0.43 0.00 0.00 57.03 55.82 1ggj h ASP 177 Cb 1.19 -0.15 -0.11 0.00 -0.56 0.00 0.00 39.33 39.71 1ggj h ASP 177 CO 0.63 1.39 0.28 0.35 -1.57 0.00 0.00 179.24 180.32 1ggj n THR 178 N -4.13 2.26 -1.45 0.35 -2.24 -1.26 -4.92 114.28 102.89 1ggj n THR 178 Ca -0.14 -1.09 -0.29 0.00 -2.27 0.00 0.00 64.05 60.27 1ggj n THR 178 Cb 0.82 -1.15 0.14 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.49 2.17 -0.39 2.28 -7.23 -1.26 -4.33 120.40 110.15 1ggj s VAL 179 Ca 0.22 0.05 -0.21 0.00 -1.81 0.00 0.00 61.98 60.23 1ggj s VAL 179 Cb 0.18 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1ggj s VAL 179 CO 0.01 -0.07 0.68 -0.60 -0.31 0.00 0.00 175.10 174.81 1ggj s ARG 180 N -5.19 3.56 0.20 4.82 3.52 -1.26 -4.54 118.95 120.07 1ggj s ARG 180 Ca 0.64 -0.03 -0.23 0.00 -0.13 0.00 0.00 55.73 55.98 1ggj s ARG 180 Cb -0.16 -3.86 0.06 0.00 -1.56 0.00 0.00 34.95 29.43 1ggj s ARG 180 CO 0.54 -0.87 0.93 0.34 -0.81 0.00 0.00 175.30 175.43 1ggj s ASP 181 N 1.90 -0.13 0.59 -2.12 3.68 -0.66 -4.59 116.67 115.33 1ggj s ASP 181 Ca 0.26 -0.55 -0.14 0.00 2.13 0.00 0.00 52.55 54.24 1ggj s ASP 181 Cb -0.14 0.56 -0.04 0.00 -1.45 0.00 0.00 42.92 41.84 1ggj s ASP 181 CO 0.17 -1.05 1.03 -0.63 0.13 0.00 0.00 175.17 174.82 1ggj s ILE 182 N -3.06 4.28 -0.02 4.11 -1.09 -1.26 -4.46 121.20 119.69 1ggj s ILE 182 Ca 0.14 0.95 0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1ggj s ILE 182 Cb -0.03 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1ggj s ILE 182 CO 0.04 -0.76 -0.14 -0.13 -1.23 0.00 0.00 174.94 172.72 1ggj s ARG 183 N -4.48 2.42 0.36 2.79 1.81 -1.26 -3.67 118.95 116.92 1ggj s ARG 183 Ca 0.59 -0.76 -0.10 0.00 -1.72 0.00 0.00 55.73 53.74 1ggj s ARG 183 Cb -0.13 -2.36 -0.07 0.00 -0.45 0.00 0.00 34.95 31.95 1ggj s ARG 183 CO 0.42 0.60 0.71 0.20 -0.68 0.00 0.00 175.30 176.55 1ggj s GLY 184 N -1.01 2.01 -0.37 -3.53 0.00 0.16 -0.99 107.32 103.59 1ggj s GLY 184 Ca 0.13 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.65 1ggj s GLY 184 CO 0.03 -0.06 0.40 -0.12 0.00 0.00 0.00 173.10 173.35 1ggj s PHE 185 N -2.23 -0.45 -0.15 1.90 2.19 -0.16 -1.95 117.98 117.14 1ggj s PHE 185 Ca 0.50 -0.70 -0.03 0.00 0.33 0.00 0.00 56.93 57.03 1ggj s PHE 185 Cb -0.10 -0.33 -0.03 0.00 -1.31 0.00 0.00 43.02 41.25 1ggj s PHE 185 CO 0.28 -0.99 -0.05 0.00 1.83 0.00 0.00 175.22 176.29 1ggj s ALA 186 N 1.49 2.95 -0.15 11.12 0.00 -0.56 -0.95 121.76 135.65 1ggj s ALA 186 Ca 0.17 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1ggj s ALA 186 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.51 1ggj s ALA 186 CO -0.04 0.25 -0.21 0.99 0.00 0.00 0.00 175.76 176.75 1ggj s THR 187 N 0.27 2.05 -0.40 0.00 2.01 -0.05 -0.42 115.64 119.09 1ggj s THR 187 Ca -0.04 -0.96 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 1ggj s THR 187 Cb -0.14 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1ggj s THR 187 CO 0.03 0.54 0.28 -0.75 -0.69 0.00 0.00 174.62 174.03 1ggj s LYS 188 N 1.00 2.93 -0.40 4.92 2.20 0.15 -0.63 119.74 129.91 1ggj s LYS 188 Ca -0.02 -1.05 -0.19 0.00 -0.36 0.00 0.00 55.97 54.35 1ggj s LYS 188 Cb -0.15 -3.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.27 1ggj s LYS 188 CO -0.06 -0.74 0.53 -0.06 -0.36 0.00 0.00 175.35 174.66 1ggj s PHE 189 N 1.64 3.14 -1.17 4.03 0.40 0.65 -1.77 117.98 124.91 1ggj s PHE 189 Ca 0.04 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.15 1ggj s PHE 189 Cb -0.19 -3.05 0.11 0.00 0.51 0.00 0.00 43.02 40.40 1ggj s PHE 189 CO 0.09 -0.69 1.49 0.71 0.70 0.00 0.00 175.22 177.52 1ggj s TYR 190 N 2.46 3.06 0.67 0.36 2.02 -0.55 -0.75 117.35 124.62 1ggj s TYR 190 Ca 0.18 -1.66 -0.06 0.00 -0.37 0.00 0.00 57.07 55.16 1ggj s TYR 190 Cb -0.15 -4.51 0.05 0.00 -0.40 0.00 0.00 41.96 36.94 1ggj s TYR 190 CO 0.15 -1.63 0.97 0.95 -1.57 0.00 0.00 175.55 174.42 1ggj s THR 191 N 3.12 2.54 -0.15 -0.71 -4.23 -0.84 -4.30 115.64 111.08 1ggj s THR 191 Ca 0.45 -0.27 0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1ggj s THR 191 Cb -0.00 -3.07 0.33 0.00 1.34 0.00 0.00 72.50 71.09 1ggj s THR 191 CO -0.00 -0.08 1.87 -0.33 -0.54 0.00 0.00 174.62 175.54 1ggj h GLU 192 N -0.45 0.00 0.00 3.99 5.08 -1.96 -2.95 114.58 118.29 1ggj h GLU 192 Ca -0.44 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1ggj h GLU 192 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1ggj h GLU 192 CO 0.59 0.00 -0.14 0.39 -1.00 0.00 0.00 179.01 178.85 1ggj n GLU 193 N -2.73 1.35 0.00 2.33 1.02 -1.26 -4.83 120.64 116.51 1ggj n GLU 193 Ca 0.01 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.39 1ggj n GLU 193 Cb 0.28 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.34 3.17 3.72 0.62 0.00 -1.11 -4.74 105.19 105.50 1ggj n GLY 194 Ca 0.17 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.39 3.48 -0.23 -0.61 -1.09 -1.26 -1.99 121.20 117.11 1ggj s ILE 195 Ca 0.00 1.08 -0.01 0.00 -2.23 0.00 0.00 60.65 59.50 1ggj s ILE 195 Cb 0.00 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1ggj s ILE 195 CO 0.00 0.10 -0.09 0.12 -1.23 0.00 0.00 174.94 173.83 1ggj s PHE 196 N 0.95 3.03 -0.30 3.97 5.36 0.07 -4.18 117.98 126.88 1ggj s PHE 196 Ca 0.62 -1.61 -0.11 0.00 -0.96 0.00 0.00 56.93 54.87 1ggj s PHE 196 Cb -0.35 -2.02 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1ggj s PHE 196 CO 0.31 -0.75 0.18 -0.51 -1.46 0.00 0.00 175.22 172.99 1ggj s ASP 197 N 1.30 5.84 -0.48 6.13 -0.00 -0.32 -0.25 116.67 128.88 1ggj s ASP 197 Ca 0.00 -0.23 -0.13 0.00 -0.00 0.00 0.00 52.55 52.19 1ggj s ASP 197 Cb -0.16 -2.08 0.11 0.00 -0.00 0.00 0.00 42.92 40.79 1ggj s ASP 197 CO -0.06 -0.12 0.39 -0.22 -0.00 0.00 0.00 175.17 175.16 1ggj s LEU 198 N 1.71 5.75 -0.77 1.23 2.96 0.20 -4.33 118.68 125.43 1ggj s LEU 198 Ca 0.06 -1.68 -0.11 0.00 -0.22 0.00 0.00 54.13 52.18 1ggj s LEU 198 Cb -0.16 -2.11 0.20 0.00 0.50 0.00 0.00 46.19 44.62 1ggj s LEU 198 CO 0.09 -0.71 0.68 -0.69 -1.32 0.00 0.00 176.35 174.40 1ggj s VAL 199 N 1.51 5.11 0.00 1.68 1.01 -1.26 -0.87 120.40 127.57 1ggj s VAL 199 Ca 0.04 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.44 1ggj s VAL 199 Cb -0.27 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1ggj s VAL 199 CO 0.02 -0.99 0.00 0.61 0.00 0.00 0.00 175.10 174.75 1ggj n GLY 200 N 3.87 6.64 3.45 4.51 0.00 -0.13 -4.92 105.19 118.61 1ggj n GLY 200 Ca 0.12 -2.04 -0.14 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.00 0.80 -1.98 4.61 0.00 -0.51 -0.99 121.76 121.69 1ggj s ALA 201 Ca 0.00 -1.51 0.14 0.00 0.00 0.00 0.00 51.96 50.59 1ggj s ALA 201 Cb 0.00 1.20 0.41 0.00 0.00 0.00 0.00 23.12 24.74 1ggj s ALA 201 CO 0.00 -0.76 1.34 0.27 0.00 0.00 0.00 175.76 176.61 1ggj n ASN 202 N -1.17 2.52 -4.14 0.00 6.94 -0.16 -0.23 115.26 119.02 1ggj n ASN 202 Ca 0.01 -2.01 -0.20 0.00 -0.02 0.00 0.00 54.58 52.37 1ggj n ASN 202 Cb 0.62 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.39 1.11 -1.56 5.53 -4.23 -1.26 -4.54 115.64 109.30 1ggj s THR 203 Ca 0.31 -1.02 0.23 0.00 -1.18 0.00 0.00 61.69 60.03 1ggj s THR 203 Cb 0.16 -1.01 0.46 0.00 1.34 0.00 0.00 72.50 73.45 1ggj s THR 203 CO 0.21 -0.01 1.74 -0.81 -0.54 0.00 0.00 174.62 175.21 1ggj n PRO 204 N 1.86 0.41 -4.33 3.99 -0.04 -1.26 -4.56 135.00 131.07 1ggj n PRO 204 Ca -0.18 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.16 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 -2.44 0.46 0.42 0.52 -0.00 -1.26 -4.48 121.20 114.41 1ggj s ILE 205 Ca 0.24 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 58.96 1ggj s ILE 205 Cb 0.15 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.46 39.96 1ggj s ILE 205 CO 0.33 0.00 0.03 0.12 -0.00 0.00 0.00 174.94 175.41 1ggj s PHE 206 N -3.69 2.49 0.21 1.37 2.19 -0.30 -4.89 117.98 115.37 1ggj s PHE 206 Ca 0.36 -0.68 0.04 0.00 0.33 0.00 0.00 56.93 56.98 1ggj s PHE 206 Cb 0.06 -1.79 0.17 0.00 -1.31 0.00 0.00 43.02 40.16 1ggj s PHE 206 CO 0.15 0.41 1.50 0.74 1.83 0.00 0.00 175.22 179.86 1ggj h PHE 207 N 1.71 0.30 -1.98 10.12 -1.00 -1.88 -3.39 116.94 120.82 1ggj h PHE 207 Ca -0.44 -0.13 -0.61 0.00 2.81 0.00 0.00 57.97 59.60 1ggj h PHE 207 Cb 1.25 -0.05 -0.13 0.00 3.61 0.00 0.00 35.95 40.63 1ggj h PHE 207 CO 0.77 0.84 -0.67 0.96 -1.61 0.00 0.00 178.31 178.59 1ggj s ILE 208 N -3.59 2.44 -0.17 -0.55 -4.36 -1.26 -2.55 121.20 111.15 1ggj s ILE 208 Ca -0.04 -2.16 0.04 0.00 -0.26 0.00 0.00 60.65 58.24 1ggj s ILE 208 Cb 0.11 -2.64 -0.22 0.00 1.25 0.00 0.00 42.46 40.96 1ggj s ILE 208 CO 0.81 -0.24 0.16 0.00 0.24 0.00 0.00 174.94 175.91 1ggj n GLN 209 N -0.82 0.69 -5.00 0.37 6.02 -1.26 -4.52 117.38 112.87 1ggj n GLN 209 Ca -0.05 0.18 -0.28 0.00 -0.01 0.00 0.00 57.00 56.84 1ggj n GLN 209 Cb 0.62 -1.63 -0.16 0.00 1.02 0.00 0.00 30.24 30.10 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 -6.42 2.52 0.54 1.08 -1.08 -1.26 -2.51 116.67 109.54 1ggj s ASP 210 Ca -0.21 -0.42 0.24 0.00 -0.52 0.00 0.00 52.55 51.64 1ggj s ASP 210 Cb 0.08 -0.80 1.41 0.00 -1.46 0.00 0.00 42.92 42.15 1ggj s ASP 210 CO 0.73 0.17 2.02 0.00 0.52 0.00 0.00 175.17 178.62 1ggj h ALA 211 N 6.31 2.35 -0.30 3.66 0.00 -1.72 -1.93 119.26 127.64 1ggj h ALA 211 Ca -0.30 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ggj h ALA 211 Cb 1.18 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ggj h ALA 211 CO 0.47 -0.53 0.34 1.25 0.00 0.00 0.00 179.25 180.78 1ggj h HIS 212 N 0.00 0.00 -0.61 0.00 6.17 -1.95 -0.93 115.15 117.83 1ggj h HIS 212 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1ggj h HIS 212 Cb 0.83 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.76 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 -3.72 2.47 -0.01 5.26 5.02 -0.72 -4.56 118.16 121.89 1ggj n LYS 213 Ca 0.05 -2.28 -0.10 0.00 -2.02 0.00 0.00 58.31 53.96 1ggj n LYS 213 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 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 3.77 0.01 -0.98 2.13 3.04 -1.31 -0.04 116.94 123.56 1ggj h PHE 214 Ca 0.00 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1ggj h PHE 214 Cb 0.86 0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.33 1ggj h PHE 214 CO 0.41 -0.01 0.65 -1.35 -2.02 0.00 0.00 178.31 175.99 1ggj h PRO 215 N 0.06 1.26 0.56 6.41 0.11 -1.81 0.21 132.00 138.80 1ggj h PRO 215 Ca 0.06 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1ggj h PRO 215 Cb 0.07 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1ggj h PRO 215 CO -0.10 0.83 -0.30 -0.44 -0.21 0.00 0.00 178.00 177.79 1ggj h ASP 216 N 1.30 -0.73 -0.18 -2.05 3.45 -1.65 -0.16 116.42 116.41 1ggj h ASP 216 Ca 0.37 0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.89 1ggj h ASP 216 Cb -0.10 0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 1ggj h ASP 216 CO -0.10 -0.49 0.01 0.15 -1.57 0.00 0.00 179.24 177.25 1ggj h PHE 217 N -0.79 0.01 -0.09 4.55 3.04 -0.74 -1.32 116.94 121.60 1ggj h PHE 217 Ca -0.07 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 1ggj h PHE 217 Cb 0.63 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1ggj h PHE 217 CO -0.06 -0.01 0.05 0.28 -2.02 0.00 0.00 178.31 176.55 1ggj h VAL 218 N 0.07 1.07 -0.88 1.41 2.07 -0.50 -1.44 116.25 118.06 1ggj h VAL 218 Ca 0.08 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1ggj h VAL 218 Cb 0.09 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1ggj h VAL 218 CO -0.13 0.06 0.53 0.45 0.02 0.00 0.00 177.57 178.50 1ggj h HIS 219 N 0.07 0.96 -0.86 1.57 3.86 -0.91 0.27 115.15 120.11 1ggj h HIS 219 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1ggj h HIS 219 Cb 0.06 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 1ggj h HIS 219 CO -0.05 0.41 0.45 0.00 0.86 0.00 0.00 177.93 179.61 1ggj h ALA 220 N 1.46 1.10 0.05 2.45 0.00 -0.64 -3.19 119.26 120.49 1ggj h ALA 220 Ca 0.42 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 1ggj h ALA 220 Cb 0.34 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ggj h ALA 220 CO -0.23 0.63 -1.22 -0.24 0.00 0.00 0.00 179.25 178.18 1ggj h VAL 221 N 1.20 1.48 -3.54 0.00 3.04 -0.20 -2.11 116.25 116.12 1ggj h VAL 221 Ca 0.30 -3.16 -0.44 0.00 -1.01 0.00 0.00 66.70 62.38 1ggj h VAL 221 Cb 0.06 2.81 0.19 0.00 -2.01 0.00 0.00 31.29 32.33 1ggj h VAL 221 CO -0.04 0.88 0.10 -0.54 -1.01 0.00 0.00 177.57 176.95 1ggj s LYS 222 N -2.67 -0.38 0.24 4.17 -0.14 0.84 -4.61 119.74 117.19 1ggj s LYS 222 Ca -0.02 0.61 -0.31 0.00 -1.36 0.00 0.00 55.97 54.88 1ggj s LYS 222 Cb 0.09 -1.64 -0.13 0.00 -1.68 0.00 0.00 37.83 34.47 1ggj s LYS 222 CO 0.84 -3.30 1.46 -2.30 -0.76 0.00 0.00 175.35 171.29 1ggj n PRO 223 N -4.59 2.14 -1.82 -1.68 -0.02 -1.25 -4.78 135.00 123.01 1ggj n PRO 223 Ca 0.04 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 1ggj n PRO 223 Cb 0.56 -2.45 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.23 4.13 0.39 -0.52 2.02 -0.65 -4.68 118.70 119.16 1ggj s GLU 224 Ca 0.69 2.55 0.11 0.00 0.02 0.00 0.00 54.97 58.34 1ggj s GLU 224 Cb -0.63 -2.98 0.78 0.00 0.10 0.00 0.00 34.13 31.40 1ggj s GLU 224 CO 0.48 -0.52 1.89 -1.00 0.02 0.00 0.00 175.26 176.13 1ggj h PRO 225 N 3.17 0.13 0.26 0.39 0.13 -1.90 0.60 132.00 134.78 1ggj h PRO 225 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 1ggj h PRO 225 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ggj h PRO 225 CO 0.65 0.36 -0.12 1.12 -0.23 0.00 0.00 178.00 179.78 1ggj h HIS 226 N 0.12 -0.32 -0.01 1.56 2.07 -1.97 -3.38 115.15 113.23 1ggj h HIS 226 Ca 0.02 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1ggj h HIS 226 Cb 0.47 0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1ggj h HIS 226 CO 0.00 -0.07 0.00 -2.67 -3.07 0.00 0.00 177.93 172.12 1ggj n TRP 227 N -5.16 0.01 -3.55 6.12 4.27 -1.18 -5.03 117.44 112.92 1ggj n TRP 227 Ca -0.10 -0.10 -0.22 0.00 -3.89 0.00 0.00 57.50 53.19 1ggj n TRP 227 Cb 0.21 -0.01 0.05 0.00 -1.36 0.00 0.00 31.31 30.21 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 -0.05 -2.30 -3.31 -1.67 0.00 0.21 -4.99 120.51 108.40 1ggj n ALA 228 Ca 0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1ggj n ALA 228 Cb 0.07 -3.70 -0.13 0.00 0.00 0.00 0.00 19.45 15.69 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 -3.51 -0.02 0.23 0.00 1.01 -1.25 -4.67 121.20 112.98 1ggj s ILE 229 Ca 0.27 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.06 1ggj s ILE 229 Cb -0.07 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 1ggj s ILE 229 CO 0.80 0.03 0.14 -2.16 0.00 0.00 0.00 174.94 173.75 1ggj s PRO 230 N 0.52 2.81 -0.05 2.79 0.04 -1.26 -1.64 135.00 138.21 1ggj s PRO 230 Ca -0.04 -1.05 -0.22 0.00 0.04 0.00 0.00 61.00 59.73 1ggj s PRO 230 Cb -0.05 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1ggj s PRO 230 CO -0.02 0.42 0.65 -1.14 0.04 0.00 0.00 177.00 176.95 1ggj s GLN 231 N -3.57 4.40 -1.34 4.56 2.00 -1.26 -3.82 119.66 120.63 1ggj s GLN 231 Ca 0.32 0.79 0.00 0.00 -2.00 0.00 0.00 55.36 54.47 1ggj s GLN 231 Cb -0.08 -3.42 0.00 0.00 0.80 0.00 0.00 33.01 30.31 1ggj s GLN 231 CO 0.23 0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.60 1ggj n GLY 232 N 2.93 1.16 2.98 2.59 0.00 -1.26 -4.98 105.19 108.61 1ggj n GLY 232 Ca -0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.31 0.13 0.00 1.61 -0.21 -1.26 -4.41 119.66 112.21 1ggj s GLN 233 Ca 0.00 0.09 0.23 0.00 0.02 0.00 0.00 55.36 55.70 1ggj s GLN 233 Cb 0.00 0.06 0.55 0.00 1.00 0.00 0.00 33.01 34.62 1ggj s GLN 233 CO 0.00 -0.02 1.46 -1.13 -2.12 0.00 0.00 175.29 173.48 1ggj n SER 234 N 2.92 2.60 -4.23 5.90 3.41 -1.26 -4.71 113.62 118.25 1ggj n SER 234 Ca -0.13 -1.85 -0.43 0.00 -0.26 0.00 0.00 58.87 56.20 1ggj n SER 234 Cb 0.59 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.96 4.41 -3.47 7.33 0.00 -1.26 -4.58 120.51 123.90 1ggj n ALA 235 Ca 0.17 -4.04 -0.12 0.00 0.00 0.00 0.00 53.44 49.45 1ggj n ALA 235 Cb 0.49 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.58 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 2.60 -0.49 0.16 0.00 -3.43 -1.26 -4.72 115.29 108.15 1ggj s HIS 236 Ca 0.47 0.46 -0.21 0.00 -0.80 0.00 0.00 55.06 54.98 1ggj s HIS 236 Cb 0.06 0.52 0.07 0.00 -1.43 0.00 0.00 32.58 31.80 1ggj s HIS 236 CO 0.01 -0.68 1.62 -0.44 -2.00 0.00 0.00 174.74 173.25 1ggj h ASP 237 N 2.22 -0.80 -0.64 7.38 5.19 -1.88 -2.98 116.42 124.90 1ggj h ASP 237 Ca -0.28 0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 1ggj h ASP 237 Cb 1.25 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 41.12 1ggj h ASP 237 CO 0.36 -0.27 0.43 0.71 -3.12 0.00 0.00 179.24 177.34 1ggj h THR 238 N -0.19 1.10 0.10 0.35 1.35 -1.95 0.35 112.91 114.02 1ggj h THR 238 Ca 0.17 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1ggj h THR 238 Cb 0.47 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1ggj h THR 238 CO -0.47 0.14 -0.05 0.15 -0.25 0.00 0.00 175.52 175.05 1ggj h PHE 239 N 0.79 -0.13 0.00 4.73 3.57 -1.22 -2.36 116.94 122.32 1ggj h PHE 239 Ca 0.25 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 1ggj h PHE 239 Cb 0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1ggj h PHE 239 CO -0.00 0.11 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.42 1ggj h TRP 240 N -0.35 0.00 0.24 0.41 4.06 -1.40 -0.75 115.95 118.17 1ggj h TRP 240 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1ggj h TRP 240 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 1ggj h TRP 240 CO -0.00 0.28 -0.12 0.22 -3.56 0.00 0.00 178.44 175.26 1ggj h ASP 241 N 0.00 -0.28 -0.17 -3.49 3.58 -0.22 -0.75 116.42 115.10 1ggj h ASP 241 Ca -0.00 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1ggj h ASP 241 Cb 0.77 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.87 1ggj h ASP 241 CO 0.04 -0.13 0.08 0.22 -2.88 0.00 0.00 179.24 176.57 1ggj h TYR 242 N -0.41 0.15 -0.58 0.28 5.03 -1.27 -1.96 116.97 118.22 1ggj h TYR 242 Ca -0.03 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.36 1ggj h TYR 242 Cb 0.31 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.48 1ggj h TYR 242 CO -0.04 0.09 0.26 0.28 -1.32 0.00 0.00 178.16 177.43 1ggj h VAL 243 N 0.18 0.87 0.00 1.81 2.07 -1.09 0.12 116.25 120.20 1ggj h VAL 243 Ca 0.07 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1ggj h VAL 243 Cb 0.01 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1ggj h VAL 243 CO -0.05 0.09 -0.21 0.77 0.02 0.00 0.00 177.57 178.19 1ggj h SER 244 N 0.48 0.00 0.33 0.57 4.64 -0.77 -2.55 113.55 116.26 1ggj h SER 244 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ggj h SER 244 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ggj h SER 244 CO -0.23 0.21 -0.79 0.18 -0.87 0.00 0.00 176.83 175.32 1ggj n LEU 245 N -3.62 0.68 -3.64 5.97 4.77 -0.55 -4.70 117.00 115.92 1ggj n LEU 245 Ca -0.01 -0.16 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 1ggj n LEU 245 Cb 0.34 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.17 1ggj n LEU 245 CO 0.33 0.14 -0.25 -1.10 -1.33 0.00 0.00 177.39 175.18 1ggj s GLN 246 N -3.05 1.21 0.62 3.23 -1.52 0.30 -4.99 119.66 115.46 1ggj s GLN 246 Ca 0.08 -2.03 0.42 0.00 -1.95 0.00 0.00 55.36 51.88 1ggj s GLN 246 Cb 0.16 -2.11 2.22 0.00 -0.22 0.00 0.00 33.01 33.06 1ggj s GLN 246 CO 0.78 -1.22 2.27 -1.00 -0.25 0.00 0.00 175.29 175.87 1ggj h PRO 247 N 6.48 0.00 -0.14 2.91 0.13 -1.84 -2.19 132.00 137.35 1ggj h PRO 247 Ca 0.06 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1ggj h PRO 247 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1ggj h PRO 247 CO 0.45 0.00 0.12 1.05 -0.23 0.00 0.00 178.00 179.38 1ggj h GLU 248 N 0.00 0.00 0.00 0.86 4.11 -1.87 -1.77 114.58 115.91 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ggj h GLU 248 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 179.01 180.87 1ggj h THR 249 N 0.00 0.00 -0.92 -1.06 1.35 -1.11 -3.35 112.91 107.82 1ggj h THR 249 Ca 0.07 -0.60 0.15 0.00 -0.55 0.00 0.00 66.41 65.48 1ggj h THR 249 Cb 0.30 1.57 -0.10 0.00 -1.73 0.00 0.00 68.15 68.19 1ggj h THR 249 CO -0.00 0.00 0.53 -0.07 -0.25 0.00 0.00 175.52 175.73 1ggj h LEU 250 N 0.00 0.69 0.81 3.87 3.38 -1.52 -1.34 115.31 121.21 1ggj h LEU 250 Ca 0.00 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ggj h LEU 250 Cb 0.63 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ggj h LEU 250 CO 0.00 0.30 -0.49 -0.74 0.09 0.00 0.00 178.44 177.59 1ggj h HIS 251 N 0.74 -1.31 -0.02 1.13 2.76 -1.79 -1.09 115.15 115.57 1ggj h HIS 251 Ca 0.50 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.63 1ggj h HIS 251 Cb 0.68 0.47 -0.00 0.00 1.55 0.00 0.00 27.41 30.10 1ggj h HIS 251 CO -0.05 -0.74 -0.12 -0.97 -1.30 0.00 0.00 177.93 174.75 1ggj h ASN 252 N -1.22 0.03 -0.73 3.26 -0.00 -1.74 -2.28 115.58 112.90 1ggj h ASN 252 Ca -0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1ggj h ASN 252 Cb 0.98 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.25 1ggj h ASN 252 CO 0.12 0.15 0.46 0.58 -0.00 0.00 0.00 177.43 178.73 1ggj h VAL 253 N 0.03 1.20 -0.73 2.57 2.07 -1.00 -1.55 116.25 118.84 1ggj h VAL 253 Ca 0.01 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1ggj h VAL 253 Cb 0.23 0.17 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1ggj h VAL 253 CO 0.02 0.20 0.43 0.24 0.02 0.00 0.00 177.57 178.48 1ggj h MET 254 N 0.99 0.78 -0.60 1.57 2.86 -0.62 -0.57 114.93 119.33 1ggj h MET 254 Ca 0.26 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1ggj h MET 254 Cb -0.06 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.40 1ggj h MET 254 CO -0.05 0.51 0.15 -1.49 1.06 0.00 0.00 176.91 177.09 1ggj h TRP 255 N 0.80 1.01 -0.43 -0.22 4.06 -1.16 -2.34 115.95 117.68 1ggj h TRP 255 Ca 0.32 -0.12 -0.11 0.00 2.06 0.00 0.00 58.89 61.04 1ggj h TRP 255 Cb 0.16 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.02 1ggj h TRP 255 CO -0.06 0.85 -0.18 0.00 -3.56 0.00 0.00 178.44 175.50 1ggj h ALA 256 N 1.04 0.88 0.00 1.49 0.00 -0.65 -3.00 119.26 119.02 1ggj h ALA 256 Ca 0.19 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1ggj h ALA 256 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ggj h ALA 256 CO 0.00 0.63 -0.21 0.52 0.00 0.00 0.00 179.25 180.19 1ggj h MET 257 N 0.73 0.00 -7.70 0.00 2.86 -1.02 -3.30 114.93 106.50 1ggj h MET 257 Ca 0.11 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.32 1ggj h MET 257 Cb 0.70 0.00 0.19 0.00 0.06 0.00 0.00 31.60 32.54 1ggj h MET 257 CO 0.05 0.21 0.31 -1.54 1.06 0.00 0.00 176.91 177.01 1ggj s SER 258 N -6.17 1.95 0.21 1.22 1.04 -0.89 -4.13 113.70 106.93 1ggj s SER 258 Ca 0.02 0.28 0.21 0.00 0.48 0.00 0.00 55.95 56.94 1ggj s SER 258 Cb 0.09 -0.29 0.90 0.00 0.10 0.00 0.00 66.02 66.82 1ggj s SER 258 CO 0.64 -3.45 1.64 0.47 0.98 0.00 0.00 173.24 173.51 1ggj n ASP 259 N -4.25 0.51 -0.07 7.02 10.43 -1.26 -2.21 116.55 126.71 1ggj n ASP 259 Ca 0.16 0.64 0.11 0.00 2.57 0.00 0.00 54.79 58.27 1ggj n ASP 259 Cb 0.59 -0.74 0.49 0.00 1.84 0.00 0.00 41.12 43.30 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 0.41 0.00 -1.24 2.47 -1.87 -1.49 114.38 112.67 1ggj h ARG 260 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ggj h ARG 260 Cb 0.29 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1ggj h ARG 260 CO 0.00 0.27 0.00 0.41 0.56 0.00 0.00 179.97 181.21 1ggj n GLY 261 N -1.51 -0.87 2.22 0.04 0.00 -0.94 -3.98 105.19 100.14 1ggj n GLY 261 Ca 0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.48 -1.71 -0.61 -5.35 -0.56 -1.65 119.36 107.55 1ggj n ILE 262 Ca 0.04 -4.08 -0.37 0.00 -0.27 0.00 0.00 62.75 58.07 1ggj n ILE 262 Cb 0.13 -1.96 0.07 0.00 -1.74 0.00 0.00 39.64 36.14 1ggj n ILE 262 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1ggj n PRO 263 N 1.44 1.11 0.07 6.28 -0.04 -1.26 -0.93 135.00 141.68 1ggj n PRO 263 Ca 0.22 0.43 -0.04 0.00 -0.04 0.00 0.00 63.50 64.07 1ggj n PRO 263 Cb 0.52 -2.48 0.17 0.00 -0.04 0.00 0.00 33.50 31.67 1ggj n PRO 263 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1ggj h ARG 264 N 0.57 0.32 -1.89 0.54 9.65 -1.38 -3.40 114.38 118.79 1ggj h ARG 264 Ca -0.51 -0.17 0.21 0.00 -1.10 0.00 0.00 59.98 58.41 1ggj h ARG 264 Cb 1.34 0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 29.79 1ggj h ARG 264 CO 0.53 0.72 0.65 -1.54 2.80 0.00 0.00 179.97 183.13 1ggj s SER 265 N -6.88 -0.20 0.51 -3.80 1.04 -1.26 -4.93 113.70 98.18 1ggj s SER 265 Ca -0.05 -0.11 0.19 0.00 0.48 0.00 0.00 55.95 56.45 1ggj s SER 265 Cb 0.13 0.29 1.29 0.00 0.10 0.00 0.00 66.02 67.83 1ggj s SER 265 CO 0.79 -0.50 2.11 1.88 0.98 0.00 0.00 173.24 178.50 1ggj h TYR 266 N 2.00 0.00 0.00 5.02 0.05 -1.90 -1.25 116.97 120.89 1ggj h TYR 266 Ca -0.21 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 1ggj h TYR 266 Cb 1.21 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.95 1ggj h TYR 266 CO 0.30 0.07 -0.08 0.00 -1.05 0.00 0.00 178.16 177.40 1ggj h ARG 267 N 0.00 0.00 -0.92 4.88 3.08 -1.95 -3.25 114.38 116.22 1ggj h ARG 267 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1ggj h ARG 267 Cb 0.13 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.77 1ggj h ARG 267 CO 0.01 0.08 -0.51 0.25 -1.07 0.00 0.00 179.97 178.73 1ggj n THR 268 N -3.31 2.70 -4.19 2.04 -2.24 -0.47 -4.33 114.28 104.48 1ggj n THR 268 Ca -0.01 -4.13 -0.14 0.00 -2.27 0.00 0.00 64.05 57.50 1ggj n THR 268 Cb 0.28 -1.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.24 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 -3.64 0.89 0.64 -0.78 0.23 -1.23 -1.37 119.30 114.04 1ggj s MET 269 Ca 0.53 -1.25 -0.07 0.00 -1.03 0.00 0.00 55.69 53.87 1ggj s MET 269 Cb 0.42 -0.49 0.02 0.00 -1.53 0.00 0.00 34.83 33.25 1ggj s MET 269 CO -0.01 0.06 0.97 -1.21 -2.03 0.00 0.00 175.02 172.80 1ggj s GLU 270 N -3.17 2.73 0.01 3.16 2.02 -1.26 -4.23 118.70 117.96 1ggj s GLU 270 Ca 0.09 0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.13 1ggj s GLU 270 Cb -0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 1ggj s GLU 270 CO -0.01 -0.90 -0.09 0.20 0.02 0.00 0.00 175.26 174.48 1ggj s GLY 271 N -4.37 0.48 -0.02 -1.39 0.00 -0.51 -4.15 107.32 97.36 1ggj s GLY 271 Ca 0.56 -0.52 -0.05 0.00 0.00 0.00 0.00 44.72 44.71 1ggj s GLY 271 CO 0.46 -0.49 0.11 -1.36 0.00 0.00 0.00 173.10 171.83 1ggj s PHE 272 N -0.56 -0.02 -0.72 1.90 0.08 0.68 -0.16 117.98 119.18 1ggj s PHE 272 Ca -0.00 0.05 0.25 0.00 0.12 0.00 0.00 56.93 57.36 1ggj s PHE 272 Cb -0.05 -0.02 0.61 0.00 -0.57 0.00 0.00 43.02 42.99 1ggj s PHE 272 CO 0.00 -0.17 1.57 0.41 -0.10 0.00 0.00 175.22 176.93 1ggj n GLY 273 N 2.23 -1.55 5.00 4.36 0.00 -0.41 -1.42 105.19 113.41 1ggj n GLY 273 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1ggj n GLY 273 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ggj n ILE 274 N -2.12 0.00 -2.09 -0.61 5.41 -1.26 -4.82 119.36 113.86 1ggj n ILE 274 Ca 0.05 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.48 1ggj n ILE 274 Cb 0.43 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 3.27 -0.19 1.39 3.76 -1.26 -4.89 115.29 117.37 1ggj s HIS 275 Ca 0.00 1.45 -0.25 0.00 -0.15 0.00 0.00 55.06 56.11 1ggj s HIS 275 Cb 0.00 -2.87 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 1ggj s HIS 275 CO 0.00 -0.78 0.83 0.99 -0.85 0.00 0.00 174.74 174.92 1ggj s THR 276 N -2.70 4.87 0.44 1.30 2.01 -1.26 -4.54 115.64 115.76 1ggj s THR 276 Ca 0.60 1.61 0.03 0.00 0.31 0.00 0.00 61.69 64.24 1ggj s THR 276 Cb -0.13 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.29 1ggj s THR 276 CO 0.40 -0.00 0.28 0.49 -0.69 0.00 0.00 174.62 175.09 1ggj n PHE 277 N 5.45 -0.48 -4.83 4.92 3.72 0.52 -4.19 117.46 122.57 1ggj n PHE 277 Ca 0.05 -1.91 -0.30 0.00 -0.05 0.00 0.00 57.45 55.24 1ggj n PHE 277 Cb 0.48 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.53 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 -3.77 1.73 -0.15 -1.08 0.52 0.33 -0.99 118.95 115.55 1ggj s ARG 278 Ca 0.21 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.24 1ggj s ARG 278 Cb -0.02 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1ggj s ARG 278 CO 0.13 0.50 0.03 -0.51 0.02 0.00 0.00 175.30 175.47 1ggj s LEU 279 N -1.34 3.68 -0.15 2.53 1.43 0.34 -0.44 118.68 124.73 1ggj s LEU 279 Ca 0.12 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 1ggj s LEU 279 Cb -0.10 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ggj s LEU 279 CO 0.03 0.25 -0.21 -0.63 0.23 0.00 0.00 176.35 176.02 1ggj s ILE 280 N -0.09 2.15 0.64 -0.59 -1.09 0.31 -0.72 121.20 121.80 1ggj s ILE 280 Ca 0.05 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 57.54 1ggj s ILE 280 Cb -0.12 -1.87 0.12 0.00 -1.58 0.00 0.00 42.46 39.01 1ggj s ILE 280 CO 0.02 0.54 0.88 -0.46 -1.23 0.00 0.00 174.94 174.68 1ggj n ASN 281 N 4.20 1.31 0.22 3.58 0.23 -0.80 -1.60 115.26 122.40 1ggj n ASN 281 Ca -0.20 -2.08 0.08 0.00 -0.53 0.00 0.00 54.58 51.85 1ggj n ASN 281 Cb 0.51 -0.56 0.49 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.49 1.22 0.00 -2.53 0.00 -1.88 -1.55 119.26 114.02 1ggj h ALA 282 Ca -0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ggj h ALA 282 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ggj h ALA 282 CO 0.32 0.33 0.00 0.39 0.00 0.00 0.00 179.25 180.30 1ggj n GLU 283 N -3.73 0.22 -0.02 0.00 4.71 -1.26 -4.76 120.64 115.81 1ggj n GLU 283 Ca -0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1ggj n GLU 283 Cb 0.37 -1.79 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1ggj n GLU 283 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ggj n GLY 284 N 0.95 0.86 3.72 0.62 0.00 -0.58 -5.07 105.19 105.68 1ggj n GLY 284 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 4.61 -0.19 1.61 2.20 -1.26 -4.80 119.74 120.93 1ggj s LYS 285 Ca 0.00 1.42 -0.12 0.00 -0.36 0.00 0.00 55.97 56.91 1ggj s LYS 285 Cb 0.00 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1ggj s LYS 285 CO 0.00 0.06 0.22 0.00 -0.36 0.00 0.00 175.35 175.26 1ggj s ALA 286 N 0.61 3.63 -0.07 3.13 0.00 -1.26 -1.91 121.76 125.90 1ggj s ALA 286 Ca 0.50 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.91 1ggj s ALA 286 Cb -0.22 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1ggj s ALA 286 CO 0.29 0.08 -0.25 0.99 0.00 0.00 0.00 175.76 176.87 1ggj s THR 287 N 0.52 2.04 0.41 0.00 2.01 0.10 -4.23 115.64 116.49 1ggj s THR 287 Ca 0.12 -1.04 -0.24 0.00 0.31 0.00 0.00 61.69 60.83 1ggj s THR 287 Cb -0.12 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.57 1ggj s THR 287 CO 0.01 0.56 1.14 -0.36 -0.69 0.00 0.00 174.62 175.29 1ggj s PHE 288 N -0.00 3.08 -0.10 4.92 0.08 -0.14 -0.50 117.98 125.32 1ggj s PHE 288 Ca -0.08 1.57 -0.08 0.00 0.12 0.00 0.00 56.93 58.46 1ggj s PHE 288 Cb -0.15 -3.32 0.03 0.00 -0.57 0.00 0.00 43.02 39.01 1ggj s PHE 288 CO 0.05 -1.18 0.26 0.54 -0.10 0.00 0.00 175.22 174.80 1ggj s VAL 289 N -1.50 -0.01 -0.10 -0.44 0.11 -0.16 -1.50 120.40 116.81 1ggj s VAL 289 Ca 0.58 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.68 1ggj s VAL 289 Cb -0.28 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1ggj s VAL 289 CO 0.35 0.01 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.82 1ggj s ARG 290 N 0.33 3.06 0.04 1.54 0.52 -0.50 -0.35 118.95 123.59 1ggj s ARG 290 Ca -0.02 -0.77 -0.19 0.00 -0.52 0.00 0.00 55.73 54.23 1ggj s ARG 290 Cb -0.03 -2.45 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 1ggj s ARG 290 CO -0.01 0.29 0.56 -0.06 0.02 0.00 0.00 175.30 176.10 1ggj s PHE 291 N 0.12 3.75 0.08 -0.53 0.08 -1.26 -1.20 117.98 119.01 1ggj s PHE 291 Ca -0.09 1.21 0.05 0.00 0.12 0.00 0.00 56.93 58.22 1ggj s PHE 291 Cb -0.15 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 1ggj s PHE 291 CO 0.05 0.50 -0.13 -1.01 -0.10 0.00 0.00 175.22 174.54 1ggj s HIS 292 N -0.74 1.14 -0.11 0.36 3.76 0.52 -1.28 115.29 118.93 1ggj s HIS 292 Ca 0.29 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.71 1ggj s HIS 292 Cb -0.19 -0.64 0.02 0.00 1.11 0.00 0.00 32.58 32.88 1ggj s HIS 292 CO 0.18 0.04 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.40 1ggj s TRP 293 N -1.53 1.84 -0.21 1.40 0.52 0.77 -0.32 118.94 121.41 1ggj s TRP 293 Ca -0.01 -0.91 -0.08 0.00 0.02 0.00 0.00 56.10 55.12 1ggj s TRP 293 Cb -0.09 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.82 1ggj s TRP 293 CO 0.02 -0.51 0.09 0.21 0.02 0.00 0.00 176.95 176.77 1ggj s LYS 294 N 1.26 3.92 -0.11 4.98 2.20 0.42 -1.43 119.74 130.98 1ggj s LYS 294 Ca -0.02 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1ggj s LYS 294 Cb -0.14 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1ggj s LYS 294 CO -0.05 0.11 1.56 -1.25 -0.36 0.00 0.00 175.35 175.36 1ggj s PRO 295 N 0.84 4.12 0.07 4.03 0.04 -1.26 -0.43 135.00 142.41 1ggj s PRO 295 Ca 0.05 1.97 0.23 0.00 0.04 0.00 0.00 61.00 63.28 1ggj s PRO 295 Cb -0.13 -3.95 0.93 0.00 0.04 0.00 0.00 34.50 31.39 1ggj s PRO 295 CO 0.02 -0.90 1.72 1.28 0.04 0.00 0.00 177.00 179.16 1ggj n LEU 296 N 7.27 0.22 -0.25 -3.56 4.77 -0.46 -1.64 117.00 123.36 1ggj n LEU 296 Ca 0.17 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1ggj n LEU 296 Cb 0.44 -0.48 0.42 0.00 -2.33 0.00 0.00 43.42 41.47 1ggj n LEU 296 CO 0.61 -0.19 0.70 0.00 -1.33 0.00 0.00 177.39 177.18 1ggj n ALA 297 N -1.58 2.99 0.00 -1.18 0.00 -1.26 -4.94 120.51 114.53 1ggj n ALA 297 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ggj n ALA 297 Cb 0.28 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.32 -3.70 3.71 0.00 0.00 -0.65 -3.63 105.19 102.23 1ggj n GLY 298 Ca 0.13 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.85 4.12 -0.26 1.61 1.02 -1.26 -4.08 119.74 120.04 1ggj s LYS 299 Ca 0.00 -0.25 -0.20 0.00 0.02 0.00 0.00 55.97 55.54 1ggj s LYS 299 Cb 0.00 -3.36 0.07 0.00 -0.52 0.00 0.00 37.83 34.02 1ggj s LYS 299 CO 0.00 0.31 0.67 0.00 -0.92 0.00 0.00 175.35 175.40 1ggj s ALA 300 N 0.32 -1.71 0.21 5.17 0.00 -0.47 -4.89 121.76 120.39 1ggj s ALA 300 Ca 0.07 2.06 0.02 0.00 0.00 0.00 0.00 51.96 54.11 1ggj s ALA 300 Cb -0.11 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 1ggj s ALA 300 CO -0.01 -0.34 0.03 -1.12 0.00 0.00 0.00 175.76 174.32 1ggj s SER 301 N 0.83 1.38 0.84 0.00 0.01 -1.26 -1.12 113.70 114.38 1ggj s SER 301 Ca -0.04 -1.25 -0.07 0.00 1.31 0.00 0.00 55.95 55.90 1ggj s SER 301 Cb -0.05 0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.43 1ggj s SER 301 CO -0.07 -0.60 0.94 0.18 0.41 0.00 0.00 173.24 174.10 1ggj n LEU 302 N -0.36 0.00 -4.61 2.44 4.77 -0.11 -4.63 117.00 114.51 1ggj n LEU 302 Ca -0.04 -1.43 -0.28 0.00 -0.03 0.00 0.00 56.01 54.23 1ggj n LEU 302 Cb 0.64 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1ggj n LEU 302 CO 0.36 -1.08 -0.38 0.68 -1.33 0.00 0.00 177.39 175.63 1ggj s VAL 303 N -2.90 3.47 0.17 4.08 -7.23 -1.26 -4.91 120.40 111.80 1ggj s VAL 303 Ca 0.57 -1.41 -0.21 0.00 -1.81 0.00 0.00 61.98 59.11 1ggj s VAL 303 Cb -0.02 -2.69 0.07 0.00 0.56 0.00 0.00 36.38 34.30 1ggj s VAL 303 CO 0.39 -0.02 1.61 -0.25 -0.31 0.00 0.00 175.10 176.52 1ggj h TRP 304 N 3.11 -0.73 -0.98 2.82 2.91 -1.97 -1.75 115.95 119.36 1ggj h TRP 304 Ca -0.48 0.05 0.10 0.00 1.13 0.00 0.00 58.89 59.69 1ggj h TRP 304 Cb 1.19 0.38 -0.08 0.00 -0.51 0.00 0.00 29.16 30.14 1ggj h TRP 304 CO 0.62 -0.34 0.63 0.22 -1.03 0.00 0.00 178.44 178.54 1ggj h ASP 305 N -0.21 0.94 0.05 2.65 -0.00 -1.99 -0.08 116.42 117.79 1ggj h ASP 305 Ca 0.18 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.24 1ggj h ASP 305 Cb 0.50 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1ggj h ASP 305 CO -0.50 0.55 -0.03 -0.08 -0.00 0.00 0.00 179.24 179.18 1ggj h GLU 306 N 1.04 -0.07 -0.21 0.28 4.81 -1.83 -1.93 114.58 116.67 1ggj h GLU 306 Ca 0.46 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 1ggj h GLU 306 Cb 0.37 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1ggj h GLU 306 CO -0.22 0.29 -0.05 0.00 -0.73 0.00 0.00 179.01 178.31 1ggj h ALA 307 N 0.47 0.15 -0.45 2.92 0.00 -0.95 0.41 119.26 121.81 1ggj h ALA 307 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ggj h ALA 307 Cb 0.39 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ggj h ALA 307 CO 0.01 -0.47 0.22 0.37 0.00 0.00 0.00 179.25 179.39 1ggj h GLN 308 N 0.01 0.64 -0.55 0.00 4.15 -1.02 -1.21 115.11 117.14 1ggj h GLN 308 Ca 0.10 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 1ggj h GLN 308 Cb 0.15 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1ggj h GLN 308 CO -0.21 0.54 0.08 -0.22 -1.93 0.00 0.00 178.83 177.09 1ggj h LYS 309 N 0.59 0.88 0.00 1.69 3.64 -1.03 -2.07 116.57 120.27 1ggj h LYS 309 Ca 0.16 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1ggj h LYS 309 Cb 0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ggj h LYS 309 CO -0.02 0.82 -0.18 1.25 -2.27 0.00 0.00 179.45 179.05 1ggj h LEU 310 N 0.83 0.00 -1.66 5.20 5.85 0.28 -0.20 115.31 125.62 1ggj h LEU 310 Ca 0.17 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ggj h LEU 310 Cb 0.38 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1ggj h LEU 310 CO 0.01 0.18 -0.19 0.71 -0.34 0.00 0.00 178.44 178.80 1ggj h THR 311 N 0.00 0.78 0.00 1.05 1.35 -0.49 -0.61 112.91 114.99 1ggj h THR 311 Ca -0.00 -0.76 -0.10 0.00 -0.55 0.00 0.00 66.41 64.99 1ggj h THR 311 Cb 0.54 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 68.40 1ggj h THR 311 CO 0.02 0.19 -0.58 1.23 -0.25 0.00 0.00 175.52 176.13 1ggj h GLY 312 N 1.00 0.00 2.00 5.82 0.00 -1.14 -3.22 103.07 107.53 1ggj h GLY 312 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1ggj h GLY 312 CO 0.02 0.00 -0.52 3.21 0.00 0.00 0.00 176.54 179.26 1ggj h ARG 313 N -1.00 0.00 -1.00 4.80 2.47 -1.04 -3.41 114.38 115.20 1ggj h ARG 313 Ca -0.16 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1ggj h ARG 313 Cb 1.07 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.20 1ggj h ARG 313 CO -0.09 0.52 -0.44 0.34 0.56 0.00 0.00 179.97 180.85 1ggj s ASP 314 N -6.87 -1.54 0.11 7.04 2.15 -0.25 -5.02 116.67 112.29 1ggj s ASP 314 Ca -0.02 -0.72 0.15 0.00 0.43 0.00 0.00 52.55 52.39 1ggj s ASP 314 Cb 0.13 1.97 0.65 0.00 -0.30 0.00 0.00 42.92 45.38 1ggj s ASP 314 CO 0.75 -0.18 1.45 -0.81 -0.17 0.00 0.00 175.17 176.21 1ggj n PRO 315 N 4.48 0.07 -0.69 4.34 -0.04 -1.22 -2.06 135.00 139.88 1ggj n PRO 315 Ca 0.11 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 1ggj n PRO 315 Cb 0.57 -1.66 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.79 4.04 -0.22 3.54 8.00 -1.26 -0.09 116.55 128.77 1ggj n ASP 316 Ca 0.02 -3.20 -0.01 0.00 0.71 0.00 0.00 54.79 52.31 1ggj n ASP 316 Cb 0.13 -0.63 0.10 0.00 -0.02 0.00 0.00 41.12 40.70 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 2.06 0.61 -0.19 1.24 3.04 -1.76 0.99 116.94 122.94 1ggj h PHE 317 Ca 0.11 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.94 1ggj h PHE 317 Cb 1.76 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.09 1ggj h PHE 317 CO 0.84 0.27 -0.45 0.45 -2.02 0.00 0.00 178.31 177.40 1ggj h HIS 318 N 0.61 0.81 -0.38 0.41 3.86 -1.88 -1.53 115.15 117.06 1ggj h HIS 318 Ca 0.30 -0.31 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ggj h HIS 318 Cb 0.23 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1ggj h HIS 318 CO -0.10 1.08 0.25 -0.09 0.86 0.00 0.00 177.93 179.93 1ggj h ARG 319 N 0.31 0.50 -0.10 2.45 2.43 -1.84 0.12 114.38 118.25 1ggj h ARG 319 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ggj h ARG 319 Cb 1.06 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1ggj h ARG 319 CO 0.10 0.34 0.02 -0.09 -1.51 0.00 0.00 179.97 178.83 1ggj h ARG 320 N 0.51 0.17 -0.76 0.20 2.43 -0.84 -2.10 114.38 113.99 1ggj h ARG 320 Ca 0.14 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1ggj h ARG 320 Cb -0.05 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 1ggj h ARG 320 CO -0.03 0.37 0.48 1.49 -1.51 0.00 0.00 179.97 180.78 1ggj h GLU 321 N -0.06 0.92 0.23 0.20 4.22 -1.13 0.11 114.58 119.07 1ggj h GLU 321 Ca 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 1ggj h GLU 321 Cb 0.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1ggj h GLU 321 CO 0.00 0.61 -0.11 1.25 -2.18 0.00 0.00 179.01 178.58 1ggj h LEU 322 N 0.95 -0.26 -0.32 1.64 5.85 -0.89 -1.36 115.31 120.92 1ggj h LEU 322 Ca 0.30 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1ggj h LEU 322 Cb 0.00 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1ggj h LEU 322 CO -0.11 -0.09 0.03 -0.25 -0.34 0.00 0.00 178.44 177.68 1ggj h TRP 323 N -0.41 0.05 -0.05 1.25 2.91 -0.71 -2.54 115.95 116.45 1ggj h TRP 323 Ca -0.03 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 59.90 1ggj h TRP 323 Cb 0.31 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 1ggj h TRP 323 CO -0.03 -0.02 -0.47 0.93 -1.03 0.00 0.00 178.44 177.82 1ggj h GLU 324 N 0.14 0.13 -0.28 2.65 5.08 -0.75 -1.27 114.58 120.28 1ggj h GLU 324 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1ggj h GLU 324 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ggj h GLU 324 CO -0.23 0.58 0.12 0.00 -1.00 0.00 0.00 179.01 178.49 1ggj h ALA 325 N 1.41 0.36 -0.63 3.43 0.00 -1.07 0.81 119.26 123.56 1ggj h ALA 325 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ggj h ALA 325 Cb 0.88 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ggj h ALA 325 CO 0.07 -0.07 0.22 0.82 0.00 0.00 0.00 179.25 180.29 1ggj h ILE 326 N 0.31 1.24 0.00 0.00 2.04 -1.24 0.23 117.51 120.09 1ggj h ILE 326 Ca 0.09 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1ggj h ILE 326 Cb 0.14 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1ggj h ILE 326 CO -0.01 0.31 -0.27 -0.33 0.00 0.00 0.00 178.15 177.85 1ggj h GLU 327 N 0.90 0.00 0.00 2.37 5.08 -0.86 -2.06 114.58 120.01 1ggj h GLU 327 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1ggj h GLU 327 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ggj h GLU 327 CO -0.01 0.27 -0.15 0.00 -1.00 0.00 0.00 179.01 178.11 1ggj n ALA 328 N -2.41 2.44 -0.39 3.43 0.00 0.24 -1.95 120.51 121.87 1ggj n ALA 328 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1ggj n ALA 328 Cb 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.32 0.80 2.40 0.00 0.00 -0.51 -4.41 105.19 104.78 1ggj n GLY 329 Ca 0.05 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 7.88 -4.66 1.61 10.43 0.70 -4.99 116.55 127.65 1ggj n ASP 330 Ca 0.00 -2.94 -0.48 0.00 2.57 0.00 0.00 54.79 53.94 1ggj n ASP 330 Cb 0.00 -1.41 -0.05 0.00 1.84 0.00 0.00 41.12 41.51 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 2.21 2.16 -1.68 1.24 0.99 -1.26 -4.41 117.46 116.71 1ggj n PHE 331 Ca 0.64 0.26 -0.46 0.00 -0.00 0.00 0.00 57.45 57.90 1ggj n PHE 331 Cb 0.33 -2.54 -0.04 0.00 -1.00 0.00 0.00 39.48 36.23 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 4.36 2.37 -4.98 -1.08 -0.02 -1.24 -4.77 135.00 129.64 1ggj n PRO 332 Ca 0.19 0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 62.25 1ggj n PRO 332 Cb 0.26 -2.70 -0.17 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 2.65 2.30 0.02 -0.52 2.02 -1.26 -1.02 118.70 122.89 1ggj s GLU 333 Ca 0.85 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 55.17 1ggj s GLU 333 Cb -0.62 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 1ggj s GLU 333 CO 0.43 0.20 -0.12 0.71 0.02 0.00 0.00 175.26 176.50 1ggj s TYR 334 N 0.23 1.08 -0.30 1.61 2.02 0.35 -1.35 117.35 120.98 1ggj s TYR 334 Ca -0.11 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.21 1ggj s TYR 334 Cb -0.15 -0.66 -0.02 0.00 -0.40 0.00 0.00 41.96 40.73 1ggj s TYR 334 CO 0.05 0.00 0.16 -2.00 -1.57 0.00 0.00 175.55 172.19 1ggj s GLU 335 N -0.76 3.51 0.17 -0.62 2.12 0.42 0.68 118.70 124.22 1ggj s GLU 335 Ca 0.02 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 1ggj s GLU 335 Cb -0.06 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.66 1ggj s GLU 335 CO 0.00 -0.35 1.29 -1.17 -0.54 0.00 0.00 175.26 174.50 1ggj s LEU 336 N 1.66 4.41 0.03 2.70 2.96 0.01 -0.43 118.68 130.01 1ggj s LEU 336 Ca 0.05 2.31 0.01 0.00 -0.22 0.00 0.00 54.13 56.29 1ggj s LEU 336 Cb -0.17 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.90 1ggj s LEU 336 CO 0.07 -0.52 -0.06 -0.83 -1.32 0.00 0.00 176.35 173.70 1ggj s GLY 337 N 0.52 0.40 -0.10 7.98 0.00 0.57 -0.86 107.32 115.82 1ggj s GLY 337 Ca 0.58 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1ggj s GLY 337 CO 0.35 -0.77 -0.23 -1.36 0.00 0.00 0.00 173.10 171.10 1ggj s PHE 338 N -1.48 2.58 -0.33 1.90 2.99 -0.07 -0.35 117.98 123.22 1ggj s PHE 338 Ca -0.12 -0.97 -0.18 0.00 0.00 0.00 0.00 56.93 55.66 1ggj s PHE 338 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 43.02 41.20 1ggj s PHE 338 CO -0.00 -0.37 0.52 -0.65 -0.00 0.00 0.00 175.22 174.72 1ggj s GLN 339 N 0.29 3.72 -0.22 0.44 -0.21 -0.34 -0.67 119.66 122.67 1ggj s GLN 339 Ca -0.17 -0.05 -0.06 0.00 0.02 0.00 0.00 55.36 55.11 1ggj s GLN 339 Cb -0.17 -3.78 -0.02 0.00 1.00 0.00 0.00 33.01 30.04 1ggj s GLN 339 CO 0.08 -0.59 0.02 -0.51 -2.12 0.00 0.00 175.29 172.16 1ggj s LEU 340 N 2.41 3.28 -0.13 2.90 1.02 -1.26 -1.41 118.68 125.49 1ggj s LEU 340 Ca 0.20 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.12 1ggj s LEU 340 Cb -0.15 -1.84 0.03 0.00 0.02 0.00 0.00 46.19 44.24 1ggj s LEU 340 CO 0.13 0.03 -0.07 -0.63 0.02 0.00 0.00 176.35 175.83 1ggj s ILE 341 N 1.20 1.06 0.54 -0.59 1.01 -0.56 -4.97 121.20 118.89 1ggj s ILE 341 Ca 0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1ggj s ILE 341 Cb -0.14 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1ggj s ILE 341 CO 0.02 0.28 1.28 -2.65 0.00 0.00 0.00 174.94 173.86 1ggj n PRO 342 N 4.92 1.56 -0.30 2.79 -0.02 -1.26 -0.97 135.00 141.71 1ggj n PRO 342 Ca -0.12 0.58 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1ggj n PRO 342 Cb 0.49 -2.48 0.25 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.32 0.59 0.00 -0.52 4.81 -1.96 0.14 114.58 118.97 1ggj h GLU 343 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ggj h GLU 343 Cb 1.31 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ggj h GLU 343 CO 0.56 0.39 0.00 0.93 -0.73 0.00 0.00 179.01 180.16 1ggj h GLU 344 N 0.61 0.00 -0.60 1.92 3.07 -1.94 -1.98 114.58 115.66 1ggj h GLU 344 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1ggj h GLU 344 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1ggj h GLU 344 CO -0.39 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.97 1ggj n ASP 345 N -3.00 5.60 -0.35 1.42 8.00 0.50 -4.60 116.55 124.12 1ggj n ASP 345 Ca -0.02 -2.86 0.11 0.00 0.71 0.00 0.00 54.79 52.73 1ggj n ASP 345 Cb 0.10 -0.67 0.29 0.00 -0.02 0.00 0.00 41.12 40.82 1ggj n ASP 345 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ggj h GLU 346 N 4.01 0.81 -0.38 -1.24 4.81 -1.42 -2.82 114.58 118.36 1ggj h GLU 346 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ggj h GLU 346 Cb 1.91 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 31.10 1ggj h GLU 346 CO 0.46 0.54 0.00 1.19 -0.73 0.00 0.00 179.01 180.47 1ggj n PHE 347 N -4.72 1.37 1.80 0.92 3.01 -1.26 -4.49 117.46 114.08 1ggj n PHE 347 Ca 0.22 -0.82 0.15 0.00 1.01 0.00 0.00 57.45 58.01 1ggj n PHE 347 Cb 0.49 -0.39 0.77 0.00 -0.01 0.00 0.00 39.48 40.35 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 -0.08 1.27 -4.02 -1.08 4.76 -1.07 -4.88 118.16 113.07 1ggj n LYS 348 Ca 0.24 -0.39 -0.22 0.00 -2.87 0.00 0.00 58.31 55.06 1ggj n LYS 348 Cb 1.01 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.65 1ggj n LYS 348 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1ggj s PHE 349 N -2.00 2.78 0.35 2.13 0.40 -1.26 -5.02 117.98 115.36 1ggj s PHE 349 Ca 0.44 -0.34 0.22 0.00 -0.60 0.00 0.00 56.93 56.64 1ggj s PHE 349 Cb 0.22 -1.67 1.10 0.00 0.51 0.00 0.00 43.02 43.18 1ggj s PHE 349 CO 0.35 0.30 1.94 -0.44 0.70 0.00 0.00 175.22 178.08 1ggj h ASP 350 N 1.46 0.00 -2.55 1.36 3.45 -1.97 -3.44 116.42 114.73 1ggj h ASP 350 Ca -0.44 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.42 1ggj h ASP 350 Cb 1.25 0.00 -0.12 0.00 -0.56 0.00 0.00 39.33 39.90 1ggj h ASP 350 CO 0.62 0.22 -0.70 0.72 -1.57 0.00 0.00 179.24 178.53 1ggj s PHE 351 N -4.10 2.58 0.16 4.55 -0.12 -1.26 -5.06 117.98 114.73 1ggj s PHE 351 Ca -0.02 -0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 1ggj s PHE 351 Cb 0.13 -1.19 -0.07 0.00 -0.63 0.00 0.00 43.02 41.26 1ggj s PHE 351 CO 0.64 0.59 1.16 0.34 -0.05 0.00 0.00 175.22 177.90 1ggj s ASP 352 N -3.28 7.16 0.49 1.98 3.68 -1.26 -4.93 116.67 120.50 1ggj s ASP 352 Ca 0.28 2.14 0.26 0.00 2.13 0.00 0.00 52.55 57.36 1ggj s ASP 352 Cb -0.07 -2.60 1.24 0.00 -1.45 0.00 0.00 42.92 40.03 1ggj s ASP 352 CO 0.17 -0.33 1.97 -0.07 0.13 0.00 0.00 175.17 177.04 1ggj h LEU 353 N 5.45 0.00 -1.00 -1.34 3.38 -1.96 -2.72 115.31 117.11 1ggj h LEU 353 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ggj h LEU 353 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ggj h LEU 353 CO 0.75 0.17 0.00 0.18 0.09 0.00 0.00 178.44 179.63 1ggj n LEU 354 N -3.55 1.54 -4.57 1.67 4.77 -1.26 -4.47 117.00 111.13 1ggj n LEU 354 Ca -0.01 -0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 54.99 1ggj n LEU 354 Cb 0.32 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1ggj n LEU 354 CO 0.31 0.28 0.46 -0.62 -1.33 0.00 0.00 177.39 176.50 1ggj s ASP 355 N -1.86 6.45 0.00 -1.43 3.68 -1.03 -4.24 116.67 118.24 1ggj s ASP 355 Ca 0.36 0.12 0.21 0.00 2.13 0.00 0.00 52.55 55.37 1ggj s ASP 355 Cb 0.20 -2.35 1.02 0.00 -1.45 0.00 0.00 42.92 40.33 1ggj s ASP 355 CO 0.31 -0.70 1.65 -0.81 0.13 0.00 0.00 175.17 175.76 1ggj n PRO 356 N 6.26 0.25 -0.05 4.34 -0.04 -1.26 -2.20 135.00 142.30 1ggj n PRO 356 Ca 0.00 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1ggj n PRO 356 Cb 0.48 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.32 0.13 -4.90 0.52 -2.24 -1.26 -1.14 114.28 104.06 1ggj n THR 357 Ca 0.09 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 1ggj n THR 357 Cb 0.17 0.72 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.87 3.15 0.37 -0.78 -0.14 -0.94 -4.82 119.74 114.72 1ggj s LYS 358 Ca 0.34 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.22 1ggj s LYS 358 Cb 0.20 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 1ggj s LYS 358 CO 0.30 0.28 0.58 -0.48 -0.76 0.00 0.00 175.35 175.27 1ggj s LEU 359 N 0.16 3.92 -0.41 3.17 0.05 -1.26 -4.84 118.68 119.47 1ggj s LEU 359 Ca -0.09 0.41 -0.10 0.00 0.05 0.00 0.00 54.13 54.40 1ggj s LEU 359 Cb -0.15 -3.28 0.06 0.00 -2.05 0.00 0.00 46.19 40.77 1ggj s LEU 359 CO 0.05 -0.40 0.26 -0.63 -0.55 0.00 0.00 176.35 175.08 1ggj s ILE 360 N -2.38 4.41 0.25 1.48 1.01 -1.26 -5.06 121.20 119.65 1ggj s ILE 360 Ca 0.42 -1.22 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 1ggj s ILE 360 Cb -0.10 -3.63 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1ggj s ILE 360 CO 0.37 -0.44 1.55 -2.65 0.00 0.00 0.00 174.94 173.77 1ggj n PRO 361 N 4.97 2.43 0.27 2.79 -0.02 -1.26 -4.83 135.00 139.36 1ggj n PRO 361 Ca -0.11 0.87 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 1ggj n PRO 361 Cb 0.44 -2.62 0.75 0.00 -0.02 0.00 0.00 33.50 32.05 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 4.99 0.00 0.00 -0.52 5.08 -1.98 -0.48 114.58 121.67 1ggj h GLU 362 Ca -0.46 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1ggj h GLU 362 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ggj h GLU 362 CO 0.81 0.07 -0.13 0.93 -1.00 0.00 0.00 179.01 179.70 1ggj h GLU 363 N 0.00 0.00 0.05 2.33 4.39 -1.96 -2.93 114.58 116.45 1ggj h GLU 363 Ca -0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1ggj h GLU 363 Cb 0.42 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 1ggj h GLU 363 CO 0.01 0.13 -1.71 1.28 -1.16 0.00 0.00 179.01 177.55 1ggj n LEU 364 N -3.39 2.21 -3.71 1.33 4.77 -0.30 -4.87 117.00 113.04 1ggj n LEU 364 Ca -0.01 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 1ggj n LEU 364 Cb 0.32 -1.01 -0.16 0.00 -2.33 0.00 0.00 43.42 40.24 1ggj n LEU 364 CO 0.30 0.55 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.87 1ggj s VAL 365 N -2.46 0.63 0.63 4.08 1.01 -0.54 -5.07 120.40 118.69 1ggj s VAL 365 Ca -0.28 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 1ggj s VAL 365 Cb 0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1ggj s VAL 365 CO 0.65 -0.51 1.21 -2.84 0.00 0.00 0.00 175.10 173.61 1ggj s PRO 366 N 1.77 2.76 -0.12 2.72 0.02 -1.12 -4.17 135.00 136.86 1ggj s PRO 366 Ca 0.06 1.82 -0.26 0.00 0.02 0.00 0.00 61.00 62.64 1ggj s PRO 366 Cb -0.17 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1ggj s PRO 366 CO -0.21 -1.37 0.85 0.08 -0.33 0.00 0.00 177.00 176.02 1ggj s VAL 367 N -1.68 4.90 -0.22 3.83 1.01 -1.26 -4.44 120.40 122.55 1ggj s VAL 367 Ca 0.77 1.70 -0.13 0.00 0.00 0.00 0.00 61.98 64.32 1ggj s VAL 367 Cb -0.31 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1ggj s VAL 367 CO 0.37 0.09 0.26 -1.10 0.00 0.00 0.00 175.10 174.71 1ggj s GLN 368 N 1.72 4.13 0.14 2.72 -0.21 0.15 -4.83 119.66 123.49 1ggj s GLN 368 Ca 0.41 -0.06 -0.31 0.00 0.02 0.00 0.00 55.36 55.42 1ggj s GLN 368 Cb -0.18 -3.52 -0.09 0.00 1.00 0.00 0.00 33.01 30.22 1ggj s GLN 368 CO 0.16 0.05 1.54 1.03 -2.12 0.00 0.00 175.29 175.95 1ggj s ARG 369 N 1.06 4.23 -0.04 2.91 0.52 -1.26 -0.89 118.95 125.48 1ggj s ARG 369 Ca 0.13 2.30 -0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1ggj s ARG 369 Cb -0.14 -3.23 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 1ggj s ARG 369 CO 0.05 -0.59 -0.04 0.28 0.02 0.00 0.00 175.30 175.03 1ggj n VAL 370 N 4.06 0.25 -3.92 3.52 0.31 -0.04 -4.93 118.33 117.58 1ggj n VAL 370 Ca 0.14 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 1ggj n VAL 370 Cb 0.40 -0.77 0.02 0.00 -0.91 0.00 0.00 33.84 32.57 1ggj n VAL 370 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ggj s GLY 371 N -4.51 0.01 -0.04 2.92 0.00 -1.13 -0.76 107.32 103.81 1ggj s GLY 371 Ca -0.06 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 44.55 1ggj s GLY 371 CO 0.10 3.61 -0.21 1.25 0.00 0.00 0.00 173.10 177.85 1ggj s LYS 372 N -2.12 1.99 -0.14 2.90 2.20 -0.58 -0.81 119.74 123.18 1ggj s LYS 372 Ca 0.25 -0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 55.09 1ggj s LYS 372 Cb -0.02 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.51 1ggj s LYS 372 CO 0.03 0.37 -0.12 1.41 -0.36 0.00 0.00 175.35 176.68 1ggj s MET 373 N -0.22 3.40 -0.14 4.03 -2.45 0.22 -2.03 119.30 122.11 1ggj s MET 373 Ca 0.01 -0.67 0.02 0.00 -1.25 0.00 0.00 55.69 53.80 1ggj s MET 373 Cb -0.11 -2.69 0.01 0.00 1.25 0.00 0.00 34.83 33.29 1ggj s MET 373 CO 0.01 0.17 -0.21 0.08 1.05 0.00 0.00 175.02 176.13 1ggj s VAL 374 N 0.48 2.17 -0.49 10.11 1.01 0.41 -0.50 120.40 133.59 1ggj s VAL 374 Ca -0.08 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.79 1ggj s VAL 374 Cb -0.16 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1ggj s VAL 374 CO 0.04 0.54 0.47 -0.76 0.00 0.00 0.00 175.10 175.39 1ggj s LEU 375 N 0.80 5.56 -0.05 3.92 1.02 -0.19 -0.73 118.68 129.01 1ggj s LEU 375 Ca -0.07 -1.31 0.07 0.00 0.02 0.00 0.00 54.13 52.84 1ggj s LEU 375 Cb -0.16 -2.24 0.11 0.00 0.02 0.00 0.00 46.19 43.92 1ggj s LEU 375 CO -0.01 -0.75 1.02 -0.46 0.02 0.00 0.00 176.35 176.17 1ggj n ASN 376 N 5.46 1.84 -3.69 2.29 6.94 -0.55 -3.67 115.26 123.87 1ggj n ASN 376 Ca -0.11 -2.33 -0.12 0.00 -0.02 0.00 0.00 54.58 52.00 1ggj n ASN 376 Cb 0.43 -0.18 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.56 0.56 0.58 -3.83 3.52 -0.95 -4.99 118.95 112.27 1ggj s ARG 377 Ca 0.12 0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 56.42 1ggj s ARG 377 Cb 0.11 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 1ggj s ARG 377 CO 0.01 -0.10 0.92 -0.80 -0.81 0.00 0.00 175.30 174.52 1ggj s ASN 378 N 0.66 5.96 1.15 -2.12 0.01 -1.26 0.10 114.94 119.43 1ggj s ASN 378 Ca -0.03 1.02 -0.13 0.00 -0.71 0.00 0.00 52.86 53.01 1ggj s ASN 378 Cb -0.05 -2.11 0.28 0.00 0.41 0.00 0.00 41.25 39.78 1ggj s ASN 378 CO -0.04 -0.89 1.03 -2.16 -1.51 0.00 0.00 177.10 173.53 1ggj s PRO 379 N -5.00 -0.85 -0.17 -0.60 0.04 -1.26 -3.60 135.00 123.55 1ggj s PRO 379 Ca 0.53 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1ggj s PRO 379 Cb -0.11 -1.56 -0.22 0.00 0.04 0.00 0.00 34.50 32.66 1ggj s PRO 379 CO 0.48 -3.70 0.27 -0.25 0.04 0.00 0.00 177.00 173.85 1ggj n ASP 380 N -4.90 1.97 -3.86 6.66 10.43 -1.26 -0.86 116.55 124.73 1ggj n ASP 380 Ca 0.03 0.34 -0.28 0.00 2.57 0.00 0.00 54.79 57.46 1ggj n ASP 380 Cb 0.54 -0.93 -0.17 0.00 1.84 0.00 0.00 41.12 42.40 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 -6.94 2.77 0.17 -2.24 3.84 -1.26 -4.65 114.94 106.62 1ggj s ASN 381 Ca -0.26 -0.66 -0.16 0.00 0.21 0.00 0.00 52.86 51.99 1ggj s ASN 381 Cb 0.06 -0.83 0.11 0.00 -0.55 0.00 0.00 41.25 40.04 1ggj s ASN 381 CO 0.66 -0.21 1.71 0.15 -2.79 0.00 0.00 177.10 176.62 1ggj h PHE 382 N 8.15 0.04 0.46 0.43 3.57 -1.98 -2.27 116.94 125.35 1ggj h PHE 382 Ca -0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.28 1ggj h PHE 382 Cb 1.11 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ggj h PHE 382 CO 0.43 -0.04 -0.22 0.35 -2.23 0.00 0.00 178.31 176.59 1ggj h PHE 383 N 0.14 -0.58 -0.61 0.41 3.04 -1.96 0.31 116.94 117.70 1ggj h PHE 383 Ca 0.19 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.21 1ggj h PHE 383 Cb 0.26 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.90 1ggj h PHE 383 CO -0.24 -0.31 0.28 0.00 -2.02 0.00 0.00 178.31 176.02 1ggj h ALA 384 N -0.23 0.80 0.02 2.41 0.00 -1.95 -1.76 119.26 118.56 1ggj h ALA 384 Ca -0.06 0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1ggj h ALA 384 Cb 0.53 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1ggj h ALA 384 CO 0.10 -0.11 -1.88 0.39 0.00 0.00 0.00 179.25 177.76 1ggj n GLU 385 N -4.92 0.61 -0.02 0.00 1.02 -0.86 -4.15 120.64 112.33 1ggj n GLU 385 Ca 0.08 0.39 -0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1ggj n GLU 385 Cb 0.23 -1.65 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.72 0.00 -0.96 1.62 -0.73 -0.56 -3.13 115.58 111.10 1ggj h ASN 386 Ca -0.49 0.00 0.12 0.00 1.87 0.00 0.00 56.30 57.80 1ggj h ASN 386 Cb 1.58 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 40.09 1ggj h ASN 386 CO -0.21 0.25 0.61 -0.08 -0.37 0.00 0.00 177.43 177.63 1ggj h GLU 387 N -0.47 0.88 -0.01 6.67 4.57 -0.99 -1.78 114.58 123.45 1ggj h GLU 387 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ggj h GLU 387 Cb 0.03 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1ggj h GLU 387 CO 0.00 0.58 -0.06 1.04 -1.18 0.00 0.00 179.01 179.39 1ggj n GLN 388 N -4.59 1.30 -2.09 1.92 6.02 -0.68 -4.92 117.38 114.34 1ggj n GLN 388 Ca 0.18 -0.64 -0.41 0.00 -0.01 0.00 0.00 57.00 56.12 1ggj n GLN 388 Cb 0.38 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.15 3.49 -0.19 -1.58 0.00 -0.67 -4.87 121.76 115.79 1ggj s ALA 389 Ca 0.36 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1ggj s ALA 389 Cb 0.21 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1ggj s ALA 389 CO 0.39 -0.68 -0.15 0.00 0.00 0.00 0.00 175.76 175.32 1ggj s ALA 390 N -1.14 2.22 0.09 0.00 0.00 -1.26 -5.04 121.76 116.62 1ggj s ALA 390 Ca 0.49 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.22 1ggj s ALA 390 Cb -0.40 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1ggj s ALA 390 CO 0.53 -0.62 0.09 -0.06 0.00 0.00 0.00 175.76 175.70 1ggj s PHE 391 N 1.31 3.21 -0.28 0.00 0.08 -1.26 -4.99 117.98 116.04 1ggj s PHE 391 Ca 0.01 0.08 -0.15 0.00 0.12 0.00 0.00 56.93 56.99 1ggj s PHE 391 Cb -0.15 -1.62 0.09 0.00 -0.57 0.00 0.00 43.02 40.77 1ggj s PHE 391 CO -0.10 0.52 0.68 -1.58 -0.10 0.00 0.00 175.22 174.65 1ggj s HIS 392 N -1.43 -1.12 -0.29 0.36 5.65 -1.26 -4.94 115.29 112.25 1ggj s HIS 392 Ca 0.30 2.17 0.26 0.00 0.25 0.00 0.00 55.06 58.04 1ggj s HIS 392 Cb -0.12 0.67 1.13 0.00 -1.18 0.00 0.00 32.58 33.08 1ggj s HIS 392 CO 0.22 -0.56 1.79 -1.00 -0.65 0.00 0.00 174.74 174.55 1ggj h PRO 393 N 7.20 0.00 0.00 2.88 0.13 -1.92 -1.81 132.00 138.48 1ggj h PRO 393 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ggj h PRO 393 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ggj h PRO 393 CO 0.15 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 178.70 1ggj h GLY 394 N 1.98 0.00 -7.49 1.56 0.00 -1.90 -3.40 103.07 93.83 1ggj h GLY 394 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1ggj h GLY 394 CO 0.00 0.00 1.45 0.30 0.00 0.00 0.00 176.54 178.29 1ggj s HIS 395 N -3.30 2.29 0.48 5.60 3.76 -0.68 -4.93 115.29 118.51 1ggj s HIS 395 Ca 0.06 -0.40 0.05 0.00 -0.15 0.00 0.00 55.06 54.62 1ggj s HIS 395 Cb 0.09 -4.37 -0.02 0.00 1.11 0.00 0.00 32.58 29.40 1ggj s HIS 395 CO 0.53 -1.61 0.18 0.96 -0.85 0.00 0.00 174.74 173.95 1ggj s ILE 396 N 7.65 1.76 0.16 0.60 -4.36 -1.26 -1.18 121.20 124.58 1ggj s ILE 396 Ca 0.60 -1.75 0.05 0.00 -0.26 0.00 0.00 60.65 59.30 1ggj s ILE 396 Cb -0.00 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1ggj s ILE 396 CO 0.05 0.00 -0.11 0.68 0.24 0.00 0.00 174.94 175.80 1ggj s VAL 397 N -2.74 1.30 0.09 8.37 -7.23 -1.26 -4.85 120.40 114.08 1ggj s VAL 397 Ca 0.28 -2.09 -0.36 0.00 -1.81 0.00 0.00 61.98 57.99 1ggj s VAL 397 Cb 0.02 -1.89 -0.17 0.00 0.56 0.00 0.00 36.38 34.90 1ggj s VAL 397 CO 0.16 -0.71 1.33 -2.65 -0.31 0.00 0.00 175.10 172.92 1ggj n PRO 398 N -0.23 1.17 0.00 4.82 -0.02 -1.26 -1.15 135.00 138.32 1ggj n PRO 398 Ca -0.10 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1ggj n PRO 398 Cb 0.61 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.51 1.95 3.44 -1.23 0.00 -1.26 -3.48 105.19 107.11 1ggj n GLY 399 Ca 0.18 0.00 -0.25 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 2.52 0.27 0.99 1.43 -0.30 -0.53 118.68 123.06 1ggj s LEU 400 Ca 0.00 -0.96 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 1ggj s LEU 400 Cb 0.00 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1ggj s LEU 400 CO 0.00 0.06 0.58 -0.62 0.23 0.00 0.00 176.35 176.60 1ggj s ASP 401 N -3.12 -0.11 0.80 2.29 3.68 0.41 -4.72 116.67 115.90 1ggj s ASP 401 Ca 0.25 -0.84 -0.05 0.00 2.13 0.00 0.00 52.55 54.04 1ggj s ASP 401 Cb -0.06 0.66 0.16 0.00 -1.45 0.00 0.00 42.92 42.23 1ggj s ASP 401 CO 0.12 -1.25 1.10 -0.36 0.13 0.00 0.00 175.17 174.91 1ggj s PHE 402 N -3.85 1.36 0.37 -5.34 0.40 -1.26 -0.52 117.98 109.14 1ggj s PHE 402 Ca 0.18 -0.20 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 1ggj s PHE 402 Cb -0.03 -3.30 -0.02 0.00 0.51 0.00 0.00 43.02 40.19 1ggj s PHE 402 CO 0.09 -2.06 0.15 0.25 0.70 0.00 0.00 175.22 174.35 1ggj n THR 403 N -3.12 0.00 1.14 0.64 -2.24 -1.26 -4.23 114.28 105.21 1ggj n THR 403 Ca 0.16 -2.20 0.06 0.00 -2.27 0.00 0.00 64.05 59.80 1ggj n THR 403 Cb 0.60 0.83 0.20 0.00 -2.10 0.00 0.00 70.33 69.86 1ggj n THR 403 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ggj n ASN 404 N -1.59 1.51 -4.69 3.42 3.02 -1.26 -4.68 115.26 110.99 1ggj n ASN 404 Ca -0.04 -1.91 -0.61 0.00 -0.03 0.00 0.00 54.58 51.99 1ggj n ASN 404 Cb 0.56 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 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 0.30 1.89 0.27 6.41 -0.08 -1.26 -4.78 116.55 119.30 1ggj n ASP 405 Ca 0.11 1.07 0.16 0.00 -1.51 0.00 0.00 54.79 54.62 1ggj n ASP 405 Cb 0.26 -1.04 0.73 0.00 2.34 0.00 0.00 41.12 43.40 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 6.76 0.00 0.05 -0.67 0.13 -1.76 -0.58 132.00 135.93 1ggj h PRO 406 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1ggj h PRO 406 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ggj h PRO 406 CO 0.98 0.06 -0.02 1.25 -0.23 0.00 0.00 178.00 180.04 1ggj h LEU 407 N 0.00 -0.06 -0.52 1.56 5.85 -1.79 -2.88 115.31 117.47 1ggj h LEU 407 Ca -0.00 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.30 1ggj h LEU 407 Cb 0.45 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 1ggj h LEU 407 CO 0.01 0.66 0.08 0.25 -0.34 0.00 0.00 178.44 179.09 1ggj h LEU 408 N -0.95 -0.06 -0.54 2.25 5.85 -1.86 -2.03 115.31 117.97 1ggj h LEU 408 Ca -0.01 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1ggj h LEU 408 Cb 0.57 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.65 1ggj h LEU 408 CO 0.01 -0.01 -0.21 1.56 -0.34 0.00 0.00 178.44 179.46 1ggj h GLN 409 N 0.20 -0.08 -0.13 1.25 1.08 -1.21 -1.28 115.11 114.95 1ggj h GLN 409 Ca 0.26 0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.33 1ggj h GLN 409 Cb 0.38 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1ggj h GLN 409 CO -0.37 -0.05 -0.52 0.78 -0.95 0.00 0.00 178.83 177.72 1ggj h GLY 410 N -0.08 0.38 0.45 3.46 0.00 -1.53 -2.96 103.07 102.78 1ggj h GLY 410 Ca 0.25 -0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.30 1ggj h GLY 410 CO -0.59 0.38 0.61 3.21 0.00 0.00 0.00 176.54 180.14 1ggj h ARG 411 N 0.27 0.82 -0.38 4.80 3.08 -0.51 -1.13 114.38 121.33 1ggj h ARG 411 Ca 0.01 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.10 1ggj h ARG 411 Cb 1.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1ggj h ARG 411 CO 0.09 0.54 0.27 -0.07 -1.07 0.00 0.00 179.97 179.73 1ggj h LEU 412 N 0.84 0.10 -0.09 3.04 3.38 -1.25 -1.84 115.31 119.50 1ggj h LEU 412 Ca 0.49 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.35 1ggj h LEU 412 Cb 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ggj h LEU 412 CO -0.26 0.06 -0.37 0.15 0.09 0.00 0.00 178.44 178.11 1ggj h PHE 413 N 0.11 0.54 -0.06 1.13 3.57 -1.35 -3.39 116.94 117.49 1ggj h PHE 413 Ca 0.18 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ggj h PHE 413 Cb 0.57 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1ggj h PHE 413 CO -0.00 0.98 0.03 1.03 -2.23 0.00 0.00 178.31 178.12 1ggj h SER 414 N -0.05 0.09 0.45 0.41 0.87 -1.24 -3.16 113.55 110.93 1ggj h SER 414 Ca -0.02 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.34 1ggj h SER 414 Cb 1.01 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1ggj h SER 414 CO 0.08 0.22 -0.19 1.88 -0.53 0.00 0.00 176.83 178.28 1ggj h TYR 415 N -0.05 0.00 0.18 2.24 0.05 -1.71 -1.01 116.97 116.66 1ggj h TYR 415 Ca 0.02 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.55 1ggj h TYR 415 Cb 0.16 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.93 1ggj h TYR 415 CO -0.02 0.19 -1.13 1.15 -1.05 0.00 0.00 178.16 177.30 1ggj h THR 416 N 0.00 1.38 -0.01 -2.88 2.02 -1.78 -3.37 112.91 108.27 1ggj h THR 416 Ca -0.00 -2.59 0.03 0.00 0.77 0.00 0.00 66.41 64.63 1ggj h THR 416 Cb 0.47 3.10 -0.05 0.00 -1.74 0.00 0.00 68.15 69.93 1ggj h THR 416 CO 0.03 0.75 -0.30 -0.78 0.37 0.00 0.00 175.52 175.59 1ggj h ASP 417 N -0.17 -0.90 -0.46 4.18 3.58 -1.42 -2.90 116.42 118.33 1ggj h ASP 417 Ca -0.20 0.12 0.09 0.00 0.42 0.00 0.00 57.03 57.46 1ggj h ASP 417 Cb 1.86 0.37 -0.02 0.00 1.72 0.00 0.00 39.33 43.25 1ggj h ASP 417 CO 0.19 -0.37 0.32 0.00 -2.88 0.00 0.00 179.24 176.50 1ggj h THR 418 N -0.44 0.89 0.00 2.25 1.03 -1.36 -1.41 112.91 113.86 1ggj h THR 418 Ca 0.06 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1ggj h THR 418 Cb 0.54 0.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.24 1ggj h THR 418 CO -0.26 0.04 0.00 0.00 -0.01 0.00 0.00 175.52 175.29 1ggj n GLN 419 N -4.46 0.46 0.17 0.00 3.00 -1.09 -1.79 117.38 113.66 1ggj n GLN 419 Ca 0.07 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1ggj n GLN 419 Cb 0.36 -1.50 0.46 0.00 0.00 0.00 0.00 30.24 29.56 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 0.00 1.14 0.01 5.09 1.08 -1.36 -0.23 117.51 123.25 1ggj h ILE 420 Ca 0.00 -0.65 -0.40 0.00 -0.39 0.00 0.00 64.86 63.42 1ggj h ILE 420 Cb 0.23 1.24 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 1ggj h ILE 420 CO 0.00 0.20 -2.25 -1.54 -0.69 0.00 0.00 178.15 173.87 1ggj n SER 421 N -4.32 1.96 -0.06 1.72 3.41 -1.01 -2.24 113.62 113.09 1ggj n SER 421 Ca -0.02 0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.74 1ggj n SER 421 Cb 0.24 -0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 63.43 1ggj n SER 421 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ggj h ARG 422 N -0.64 0.11 -0.41 4.33 2.43 -1.28 -3.05 114.38 115.88 1ggj h ARG 422 Ca -0.58 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.48 1ggj h ARG 422 Cb 1.67 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 31.14 1ggj h ARG 422 CO -0.25 0.07 0.05 1.28 -1.51 0.00 0.00 179.97 179.61 1ggj n LEU 423 N -5.11 4.53 0.00 3.80 4.77 -0.10 -4.35 117.00 120.53 1ggj n LEU 423 Ca -0.02 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1ggj n LEU 423 Cb 0.11 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1ggj n LEU 423 CO 0.27 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1ggj n GLY 424 N -0.56 0.46 0.00 -0.72 0.00 -1.15 -4.78 105.19 98.44 1ggj n GLY 424 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.78 -1.63 0.16 -0.02 0.00 -0.95 -4.78 105.19 96.19 1ggj n GLY 425 Ca 0.00 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.16 0.84 -0.70 1.61 -0.04 -1.26 -3.57 135.00 131.71 1ggj n PRO 426 Ca 0.00 -0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.14 1ggj n PRO 426 Cb 0.00 -1.49 0.26 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.80 4.28 0.31 3.54 3.02 -1.26 -4.54 115.26 119.80 1ggj n ASN 427 Ca 0.16 -2.78 0.20 0.00 -0.03 0.00 0.00 54.58 52.12 1ggj n ASN 427 Cb 0.28 -0.66 0.96 0.00 -0.61 0.00 0.00 39.78 39.75 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 2.47 0.00 0.00 3.10 -5.15 -1.86 0.21 116.94 115.71 1ggj h PHE 428 Ca 0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 1ggj h PHE 428 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.91 1ggj h PHE 428 CO 0.87 0.02 0.00 -2.39 -2.00 0.00 0.00 178.31 174.81 1ggj n HIS 429 N -3.17 0.25 1.12 6.09 1.44 -1.26 -2.01 115.22 117.68 1ggj n HIS 429 Ca -0.02 0.08 0.13 0.00 -2.01 0.00 0.00 57.72 55.90 1ggj n HIS 429 Cb 0.18 -0.63 0.39 0.00 0.12 0.00 0.00 29.99 30.04 1ggj n HIS 429 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1ggj n GLU 430 N -1.71 0.31 -2.25 -1.40 1.02 0.06 -2.93 120.64 113.74 1ggj n GLU 430 Ca 0.05 -0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1ggj n GLU 430 Cb 0.29 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.79 3.64 0.17 -3.67 1.01 -0.85 -4.87 121.20 113.84 1ggj s ILE 431 Ca 0.17 1.13 -0.23 0.00 0.00 0.00 0.00 60.65 61.72 1ggj s ILE 431 Cb 0.19 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.98 1ggj s ILE 431 CO 0.60 0.05 1.41 -2.65 0.00 0.00 0.00 174.94 174.35 1ggj n PRO 432 N 4.55 -0.33 -0.15 2.79 -0.02 -1.26 -0.87 135.00 139.70 1ggj n PRO 432 Ca 0.12 1.39 0.12 0.00 -2.02 0.00 0.00 63.50 63.11 1ggj n PRO 432 Cb 0.44 -2.05 0.46 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.88 0.00 4.25 6.09 -1.91 -2.37 117.51 124.45 1ggj h ILE 433 Ca 0.21 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.53 1ggj h ILE 433 Cb 0.44 0.32 0.00 0.00 0.47 0.00 0.00 36.82 38.06 1ggj h ILE 433 CO -0.88 0.09 -0.19 0.78 -3.07 0.00 0.00 178.15 174.88 1ggj h ASN 434 N 0.51 0.00 -3.51 2.19 2.35 -1.28 -3.47 115.58 112.36 1ggj h ASN 434 Ca 0.34 -0.04 -0.53 0.00 -0.55 0.00 0.00 56.30 55.52 1ggj h ASN 434 Cb 0.62 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.06 1ggj h ASN 434 CO -0.11 0.02 0.80 -0.13 -1.65 0.00 0.00 177.43 176.36 1ggj s ARG 435 N -3.16 4.19 0.62 0.81 0.52 -0.89 -4.87 118.95 116.17 1ggj s ARG 435 Ca 0.08 2.45 -0.18 0.00 -0.52 0.00 0.00 55.73 57.56 1ggj s ARG 435 Cb 0.10 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 1ggj s ARG 435 CO 0.65 -0.50 1.25 -2.14 0.02 0.00 0.00 175.30 174.58 1ggj s PRO 436 N -0.87 2.74 0.16 3.54 0.02 -1.26 -4.91 135.00 134.41 1ggj s PRO 436 Ca 0.59 1.93 0.20 0.00 0.02 0.00 0.00 61.00 63.74 1ggj s PRO 436 Cb -0.45 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 1ggj s PRO 436 CO 0.50 -1.42 0.98 1.79 -0.33 0.00 0.00 177.00 178.52 1ggj h THR 437 N 0.67 0.17 -3.68 0.99 1.35 -1.88 -3.47 112.91 107.08 1ggj h THR 437 Ca -0.51 -1.35 -0.46 0.00 -0.55 0.00 0.00 66.41 63.55 1ggj h THR 437 Cb 1.32 1.69 0.07 0.00 -1.73 0.00 0.00 68.15 69.50 1ggj h THR 437 CO 0.54 0.10 0.21 0.00 -0.25 0.00 0.00 175.52 176.12 1ggj s PRO 439 N -5.19 2.85 -0.12 0.00 0.02 -1.26 -5.04 135.00 126.27 1ggj s PRO 439 Ca 0.59 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.64 1ggj s PRO 439 Cb -0.11 -2.01 0.06 0.00 0.02 0.00 0.00 34.50 32.46 1ggj s PRO 439 CO 0.44 -1.37 0.26 1.52 -0.33 0.00 0.00 177.00 177.52 1ggj s TYR 440 N -1.40 -0.39 -0.08 6.54 1.13 -1.26 -4.97 117.35 116.92 1ggj s TYR 440 Ca 0.78 0.91 -0.05 0.00 -1.41 0.00 0.00 57.07 57.30 1ggj s TYR 440 Cb -0.37 -0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.50 1ggj s TYR 440 CO 0.41 -0.32 0.19 -1.01 -2.51 0.00 0.00 175.55 172.31 1ggj s HIS 441 N 2.07 -0.23 0.05 -3.49 3.76 -1.26 -5.15 115.29 111.04 1ggj s HIS 441 Ca -0.02 0.58 -0.02 0.00 -0.15 0.00 0.00 55.06 55.44 1ggj s HIS 441 Cb -0.11 0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.59 1ggj s HIS 441 CO -0.08 -0.16 0.12 0.27 -0.85 0.00 0.00 174.74 174.03 1ggj n ASN 442 N 3.79 -0.31 -1.29 1.40 0.23 -1.26 -4.93 115.26 112.89 1ggj n ASN 442 Ca -0.21 -1.20 0.08 0.00 -0.53 0.00 0.00 54.58 52.71 1ggj n ASN 442 Cb 0.55 0.51 0.31 0.00 -2.08 0.00 0.00 39.78 39.06 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 -0.08 1.29 -2.65 -2.53 3.01 -1.26 -4.93 117.46 110.30 1ggj n PHE 443 Ca -0.01 -0.71 -0.41 0.00 1.01 0.00 0.00 57.45 57.34 1ggj n PHE 443 Cb 0.08 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.21 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 -2.23 4.72 0.15 -1.08 -0.21 -1.26 -4.65 119.66 115.09 1ggj s GLN 444 Ca 0.45 1.58 0.00 0.00 0.02 0.00 0.00 55.36 57.41 1ggj s GLN 444 Cb 0.32 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 1ggj s GLN 444 CO 0.16 0.28 0.03 1.03 -2.12 0.00 0.00 175.29 174.67 1ggj s ARG 445 N -0.68 0.99 4.82 2.91 1.81 -1.26 -5.08 118.95 122.46 1ggj s ARG 445 Ca 0.45 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.99 1ggj s ARG 445 Cb -0.27 0.00 0.00 0.00 -0.45 0.00 0.00 34.95 34.23 1ggj s ARG 445 CO 0.33 -0.19 0.00 -0.25 -0.68 0.00 0.00 175.30 174.51 1ggj n ASP 446 N -0.15 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.31 1ggj n ASP 446 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1ggj n ASP 446 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 -0.76 3.65 0.44 0.00 -1.26 -4.61 105.19 102.65 1ggj n GLY 447 Ca 0.00 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.15 1.36 -2.96 1.61 1.56 -1.26 -2.81 117.12 114.48 1ggj n MET 448 Ca 0.00 0.50 -0.20 0.00 -0.27 0.00 0.00 57.70 57.73 1ggj n MET 448 Cb 0.00 -2.25 0.03 0.00 2.15 0.00 0.00 33.22 33.16 1ggj n MET 448 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1ggj n HIS 449 N -0.98 -1.78 -2.01 1.12 8.25 -1.26 -4.47 115.22 114.08 1ggj n HIS 449 Ca 0.10 0.49 -0.43 0.00 -0.26 0.00 0.00 57.72 57.63 1ggj n HIS 449 Cb 0.43 -4.12 -0.03 0.00 1.12 0.00 0.00 29.99 27.39 1ggj n HIS 449 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ggj s ARG 450 N -5.59 3.90 -0.21 -0.41 6.06 -1.12 -4.89 118.95 116.68 1ggj s ARG 450 Ca 0.28 1.93 -0.20 0.00 -2.50 0.00 0.00 55.73 55.25 1ggj s ARG 450 Cb -0.12 -4.05 -0.17 0.00 0.06 0.00 0.00 34.95 30.67 1ggj s ARG 450 CO 0.35 -1.18 0.10 -1.33 -2.50 0.00 0.00 175.30 170.74 1ggj n MET 451 N 7.55 0.56 -1.80 5.12 2.81 -1.26 -4.92 117.12 125.18 1ggj n MET 451 Ca 0.19 0.53 -0.42 0.00 -1.81 0.00 0.00 57.70 56.20 1ggj n MET 451 Cb 0.44 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 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 -4.87 1.38 -0.52 3.03 0.00 -1.26 -4.96 107.32 100.12 1ggj s GLY 452 Ca -0.29 1.44 -0.15 0.00 0.00 0.00 0.00 44.72 45.72 1ggj s GLY 452 CO 0.54 2.92 0.46 -0.42 0.00 0.00 0.00 173.10 176.60 1ggj s ILE 453 N 1.93 5.07 0.15 0.90 1.01 -1.26 -4.99 121.20 124.01 1ggj s ILE 453 Ca 0.76 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 1ggj s ILE 453 Cb -0.46 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 37.73 1ggj s ILE 453 CO 0.33 -0.79 1.14 -1.81 0.00 0.00 0.00 174.94 173.81 1ggj s ASP 454 N 3.26 7.18 0.00 3.58 1.11 -1.26 -4.92 116.67 125.62 1ggj s ASP 454 Ca 0.04 2.10 0.17 0.00 0.18 0.00 0.00 52.55 55.03 1ggj s ASP 454 Cb -0.28 -2.60 -0.15 0.00 1.07 0.00 0.00 42.92 40.96 1ggj s ASP 454 CO 0.03 -0.31 0.73 0.35 1.18 0.00 0.00 175.17 177.15 1ggj n THR 455 N 2.79 0.00 -1.67 -1.27 -2.24 -1.26 -4.96 114.28 105.66 1ggj n THR 455 Ca 0.05 -0.14 -0.48 0.00 -2.27 0.00 0.00 64.05 61.20 1ggj n THR 455 Cb 0.46 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.18 3.22 -0.11 3.42 2.85 -1.26 -4.84 115.26 117.35 1ggj n ASN 456 Ca 0.04 1.03 0.08 0.00 -0.11 0.00 0.00 54.58 55.61 1ggj n ASN 456 Cb 0.27 -1.38 0.42 0.00 1.24 0.00 0.00 39.78 40.33 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 7.64 0.58 -5.84 1.20 0.11 -1.93 -3.41 132.00 130.35 1ggj h PRO 457 Ca -0.47 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 1ggj h PRO 457 Cb 1.27 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1ggj h PRO 457 CO 0.92 0.38 -0.44 0.00 -0.21 0.00 0.00 178.00 178.65 1ggj s ALA 458 N -5.54 3.90 -0.14 -0.75 0.00 -1.26 -5.00 121.76 112.97 1ggj s ALA 458 Ca -0.09 -0.67 0.15 0.00 0.00 0.00 0.00 51.96 51.35 1ggj s ALA 458 Cb 0.19 -1.97 0.34 0.00 0.00 0.00 0.00 23.12 21.68 1ggj s ALA 458 CO 0.76 0.69 1.17 0.27 0.00 0.00 0.00 175.76 178.65 1ggj n ASN 459 N 1.11 1.68 -3.69 0.00 2.04 -1.26 -4.99 115.26 110.15 1ggj n ASN 459 Ca -0.12 -3.22 -0.10 0.00 -0.44 0.00 0.00 54.58 50.70 1ggj n ASN 459 Cb 0.53 -0.44 -0.05 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 -2.42 -0.13 -0.01 -2.53 -0.85 -1.26 -4.78 117.35 105.36 1ggj s TYR 460 Ca 0.32 -0.17 -0.03 0.00 -0.52 0.00 0.00 57.07 56.67 1ggj s TYR 460 Cb 0.31 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.83 1ggj s TYR 460 CO -0.04 -0.64 0.07 -1.83 -1.52 0.00 0.00 175.55 171.58 1ggj s GLU 461 N -3.60 0.23 0.41 -3.49 4.04 -1.26 -4.05 118.70 110.98 1ggj s GLU 461 Ca 0.02 -0.16 -0.24 0.00 0.04 0.00 0.00 54.97 54.62 1ggj s GLU 461 Cb 0.02 0.09 -0.08 0.00 0.02 0.00 0.00 34.13 34.18 1ggj s GLU 461 CO -0.10 -0.04 1.12 -1.25 -1.84 0.00 0.00 175.26 173.14 1ggj s PRO 462 N -0.61 4.03 0.08 -4.83 0.04 -1.26 -5.20 135.00 127.25 1ggj s PRO 462 Ca -0.07 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1ggj s PRO 462 Cb -0.04 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1ggj s PRO 462 CO 0.00 -0.30 -0.08 0.54 0.04 0.00 0.00 177.00 177.21 1ggj s ASN 463 N -1.36 1.12 -0.02 6.66 2.20 -1.26 -5.03 114.94 117.25 1ggj s ASN 463 Ca 0.59 -0.83 0.11 0.00 -0.94 0.00 0.00 52.86 51.79 1ggj s ASN 463 Cb -0.27 0.06 -0.17 0.00 -2.00 0.00 0.00 41.25 38.87 1ggj s ASN 463 CO 0.33 -0.34 0.24 -1.54 -2.94 0.00 0.00 177.10 172.85 1ggj n SER 464 N 0.55 2.47 0.16 3.54 3.41 -1.26 -1.25 113.62 121.24 1ggj n SER 464 Ca -0.16 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.58 1ggj n SER 464 Cb 0.58 1.50 0.51 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 0.00 0.00 -1.33 3.07 -1.98 -1.53 117.51 115.74 1ggj h ILE 465 Ca -0.00 -0.32 -0.00 0.00 1.55 0.00 0.00 64.86 66.08 1ggj h ILE 465 Cb 0.52 1.13 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 1ggj h ILE 465 CO 0.00 0.00 -0.18 -3.20 -1.05 0.00 0.00 178.15 173.72 1ggj n ASN 466 N -2.41 1.63 -3.80 2.16 5.15 -1.26 -4.87 115.26 111.86 1ggj n ASN 466 Ca 0.02 -2.79 -0.28 0.00 -0.60 0.00 0.00 54.58 50.93 1ggj n ASN 466 Cb 0.27 -0.37 0.04 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.98 -5.05 -0.97 1.20 2.03 -0.58 -2.34 116.55 109.86 1ggj n ASP 467 Ca 0.11 -0.71 -0.13 0.00 0.52 0.00 0.00 54.79 54.59 1ggj n ASP 467 Cb 0.67 -4.25 -0.05 0.00 -0.72 0.00 0.00 41.12 36.76 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 -2.91 -5.30 -4.85 1.67 5.15 -0.38 -4.99 115.26 103.66 1ggj n ASN 468 Ca 0.01 0.31 -0.36 0.00 -0.60 0.00 0.00 54.58 53.95 1ggj n ASN 468 Cb 0.55 -3.92 -0.06 0.00 -0.53 0.00 0.00 39.78 35.82 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 -2.21 3.63 0.59 1.20 0.52 -0.99 -3.63 118.94 118.05 1ggj s TRP 469 Ca 0.00 0.96 -0.17 0.00 0.02 0.00 0.00 56.10 56.91 1ggj s TRP 469 Cb 0.00 -2.29 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 1ggj s TRP 469 CO 0.00 0.51 1.10 -1.25 0.02 0.00 0.00 176.95 177.33 1ggj s PRO 470 N -1.73 3.20 0.15 4.98 0.04 -1.26 -4.90 135.00 135.48 1ggj s PRO 470 Ca 0.33 1.43 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1ggj s PRO 470 Cb -0.15 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1ggj s PRO 470 CO 0.18 -0.94 0.04 1.03 0.04 0.00 0.00 177.00 177.35 1ggj s ARG 471 N -3.71 2.59 0.71 4.56 0.52 -1.24 -5.03 118.95 117.35 1ggj s ARG 471 Ca 0.68 -0.97 -0.16 0.00 -0.52 0.00 0.00 55.73 54.76 1ggj s ARG 471 Cb -0.20 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.80 1ggj s ARG 471 CO 0.33 0.48 1.27 -1.21 0.02 0.00 0.00 175.30 176.19 1ggj s GLU 472 N -2.85 2.21 -0.07 3.54 2.02 -1.26 -5.04 118.70 117.24 1ggj s GLU 472 Ca 0.28 1.97 0.01 0.00 0.02 0.00 0.00 54.97 57.25 1ggj s GLU 472 Cb -0.10 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.34 1ggj s GLU 472 CO 0.20 -1.84 -0.07 0.99 0.02 0.00 0.00 175.26 174.57 1ggj s THR 473 N -1.64 0.80 0.71 3.63 2.01 -1.26 -5.07 115.64 114.83 1ggj s THR 473 Ca 0.80 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 1ggj s THR 473 Cb -0.35 -0.82 0.03 0.00 0.01 0.00 0.00 72.50 71.37 1ggj s THR 473 CO 0.44 0.30 1.21 -2.16 -0.69 0.00 0.00 174.62 173.72 1ggj s PRO 474 N 1.27 2.25 0.57 4.92 0.04 -1.26 -1.41 135.00 141.37 1ggj s PRO 474 Ca -0.05 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.57 1ggj s PRO 474 Cb -0.14 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1ggj s PRO 474 CO -0.02 -1.76 1.30 -1.25 0.04 0.00 0.00 177.00 175.31 1ggj s PRO 475 N -3.83 3.01 0.21 0.56 0.04 -1.26 -1.42 135.00 132.31 1ggj s PRO 475 Ca 0.75 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.66 1ggj s PRO 475 Cb -0.30 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 32.21 1ggj s PRO 475 CO 0.44 -1.25 0.99 0.20 0.04 0.00 0.00 177.00 177.42 1ggj s GLY 476 N -1.20 0.11 0.29 0.56 0.00 -1.26 -4.81 107.32 101.00 1ggj s GLY 476 Ca 0.75 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1ggj s GLY 476 CO 0.42 1.69 1.88 -0.56 0.00 0.00 0.00 173.10 176.54 1ggj h PRO 477 N 2.00 1.02 -3.35 2.90 0.13 -1.95 -3.40 132.00 129.35 1ggj h PRO 477 Ca -0.28 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1ggj h PRO 477 Cb 1.22 -0.23 -0.23 0.00 0.13 0.00 0.00 31.00 31.90 1ggj h PRO 477 CO 0.35 0.68 -0.46 0.15 -0.23 0.00 0.00 178.00 178.49 1ggj s LYS 478 N -5.95 0.40 -1.32 0.86 3.01 -1.26 -4.84 119.74 110.64 1ggj s LYS 478 Ca -0.12 -0.10 -0.03 0.00 -1.01 0.00 0.00 55.97 54.71 1ggj s LYS 478 Cb 0.21 0.18 0.02 0.00 -1.01 0.00 0.00 37.83 37.22 1ggj s LYS 478 CO 0.81 -0.09 0.24 0.54 0.51 0.00 0.00 175.35 177.36 1ggj n ARG 479 N 2.06 -2.97 -3.42 1.68 5.12 -1.26 -4.98 116.66 112.89 1ggj n ARG 479 Ca -0.18 0.69 -0.20 0.00 -1.93 0.00 0.00 57.85 56.23 1ggj n ARG 479 Cb 0.57 -5.38 -0.02 0.00 -1.16 0.00 0.00 32.46 26.47 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 -2.34 2.01 0.75 -0.13 0.00 -1.26 -4.96 107.32 101.39 1ggj s GLY 480 Ca 0.16 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.99 1ggj s GLY 480 CO 0.20 -1.60 1.10 -0.32 0.00 0.00 0.00 173.10 172.47 1ggj s GLY 481 N -4.18 1.81 0.00 0.20 0.00 -0.50 -4.78 107.32 99.87 1ggj s GLY 481 Ca 0.49 0.36 -0.30 0.00 0.00 0.00 0.00 44.72 45.27 1ggj s GLY 481 CO 0.29 0.71 1.17 -0.12 0.00 0.00 0.00 173.10 175.15 1ggj s PHE 482 N -2.74 3.37 -0.04 1.90 5.36 -1.26 -4.00 117.98 120.56 1ggj s PHE 482 Ca 0.63 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.94 1ggj s PHE 482 Cb -0.18 -3.38 0.01 0.00 -0.34 0.00 0.00 43.02 39.13 1ggj s PHE 482 CO 0.52 -1.11 -0.09 -2.00 -1.46 0.00 0.00 175.22 171.08 1ggj s GLU 483 N 1.55 1.19 0.47 10.12 2.12 -1.26 -4.96 118.70 127.93 1ggj s GLU 483 Ca 0.56 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 55.39 1ggj s GLU 483 Cb -0.26 -1.07 -0.08 0.00 0.26 0.00 0.00 34.13 32.98 1ggj s GLU 483 CO 0.26 0.03 1.06 -1.12 -0.54 0.00 0.00 175.26 174.95 1ggj s SER 484 N 0.55 6.35 0.12 -1.70 0.01 -1.26 -4.98 113.70 112.79 1ggj s SER 484 Ca -0.10 2.02 -0.31 0.00 1.31 0.00 0.00 55.95 58.87 1ggj s SER 484 Cb -0.13 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1ggj s SER 484 CO 0.02 -0.77 1.61 -0.47 0.41 0.00 0.00 173.24 174.03 1ggj s TYR 485 N -1.83 2.73 -1.01 2.43 5.04 -1.26 -4.87 117.35 118.58 1ggj s TYR 485 Ca 0.65 0.47 -0.14 0.00 -2.44 0.00 0.00 57.07 55.62 1ggj s TYR 485 Cb -0.20 -3.94 -0.08 0.00 0.35 0.00 0.00 41.96 38.09 1ggj s TYR 485 CO 0.24 -3.64 2.14 1.04 -1.34 0.00 0.00 175.55 173.99 1ggj n GLN 486 N 4.80 2.14 -2.11 4.97 6.02 -1.26 -4.93 117.38 127.01 1ggj n GLN 486 Ca 0.15 -1.85 -0.41 0.00 -0.01 0.00 0.00 57.00 54.88 1ggj n GLN 486 Cb 0.40 -2.79 -0.02 0.00 1.02 0.00 0.00 30.24 28.84 1ggj n GLN 486 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ggj s GLU 487 N 3.87 4.35 0.04 -1.09 2.12 -1.26 -4.97 118.70 121.76 1ggj s GLU 487 Ca 0.51 2.21 -0.30 0.00 0.36 0.00 0.00 54.97 57.74 1ggj s GLU 487 Cb 0.13 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1ggj s GLU 487 CO 0.01 -0.22 1.10 0.50 -0.54 0.00 0.00 175.26 176.11 1ggj s ARG 488 N -1.43 4.50 -0.15 4.30 3.52 -1.26 -5.03 118.95 123.40 1ggj s ARG 488 Ca 0.51 1.61 -0.00 0.00 -0.13 0.00 0.00 55.73 57.72 1ggj s ARG 488 Cb -0.40 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 1ggj s ARG 488 CO 0.50 -0.14 -0.13 0.08 -0.81 0.00 0.00 175.30 174.80 1ggj s VAL 489 N 0.94 2.92 -0.13 7.11 1.01 -1.26 -5.10 120.40 125.89 1ggj s VAL 489 Ca 0.55 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1ggj s VAL 489 Cb -0.26 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 33.94 1ggj s VAL 489 CO 0.29 0.51 0.29 -0.70 0.00 0.00 0.00 175.10 175.49 1ggj s GLU 490 N 0.67 0.21 0.00 2.72 2.12 -1.26 -5.14 118.70 118.02 1ggj s GLU 490 Ca -0.07 0.69 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1ggj s GLU 490 Cb -0.15 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.20 1ggj s GLU 490 CO 0.02 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1ggj n GLY 491 N 4.79 -0.14 3.95 -1.50 0.00 -1.26 -5.15 105.19 105.88 1ggj n GLY 491 Ca -0.16 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 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 6.31 -0.56 1.61 0.01 -1.26 -5.00 114.94 116.05 1ggj s ASN 492 Ca 0.00 0.38 -0.27 0.00 -0.71 0.00 0.00 52.86 52.26 1ggj s ASN 492 Cb 0.00 -2.00 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1ggj s ASN 492 CO 0.00 -0.24 1.72 -0.54 -1.51 0.00 0.00 177.10 176.53 1ggj s LYS 493 N -4.20 2.93 0.09 -0.60 1.02 -1.26 -4.96 119.74 112.76 1ggj s LYS 493 Ca 0.39 0.68 0.05 0.00 0.02 0.00 0.00 55.97 57.11 1ggj s LYS 493 Cb -0.10 -4.29 -0.03 0.00 -0.52 0.00 0.00 37.83 32.90 1ggj s LYS 493 CO 0.34 -2.38 -0.13 0.14 -0.92 0.00 0.00 175.35 172.41 1ggj s VAL 494 N 7.87 1.14 -0.83 3.17 -7.23 -1.26 -5.06 120.40 118.20 1ggj s VAL 494 Ca 0.65 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 59.25 1ggj s VAL 494 Cb -0.14 -1.27 0.21 0.00 0.56 0.00 0.00 36.38 35.74 1ggj s VAL 494 CO 0.24 -0.36 0.72 -0.13 -0.31 0.00 0.00 175.10 175.25 1ggj s ARG 495 N -2.26 3.27 -0.15 4.82 0.52 -1.26 -5.00 118.95 118.89 1ggj s ARG 495 Ca 0.03 -2.84 -0.09 0.00 -0.52 0.00 0.00 55.73 52.30 1ggj s ARG 495 Cb -0.07 -4.09 0.05 0.00 0.52 0.00 0.00 34.95 31.37 1ggj s ARG 495 CO 0.02 -1.24 0.36 -2.00 0.02 0.00 0.00 175.30 172.46 1ggj s GLU 496 N -0.58 0.36 0.05 3.54 2.12 -1.26 -5.13 118.70 117.80 1ggj s GLU 496 Ca 0.22 0.67 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 1ggj s GLU 496 Cb -0.12 0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 1ggj s GLU 496 CO -0.08 -0.14 1.06 0.50 -0.54 0.00 0.00 175.26 176.06 1ggj s ARG 497 N 1.12 4.54 0.28 4.30 6.06 -1.26 -4.98 118.95 129.01 1ggj s ARG 497 Ca -0.08 1.56 -0.30 0.00 -2.50 0.00 0.00 55.73 54.42 1ggj s ARG 497 Cb -0.08 -3.39 -0.11 0.00 0.06 0.00 0.00 34.95 31.43 1ggj s ARG 497 CO -0.09 -0.06 1.57 0.45 -2.50 0.00 0.00 175.30 174.66 1ggj s SER 498 N 0.77 6.43 0.55 -2.12 0.15 -1.26 -4.87 113.70 113.35 1ggj s SER 498 Ca 0.53 2.90 0.26 0.00 0.70 0.00 0.00 55.95 60.33 1ggj s SER 498 Cb -0.25 -2.63 1.48 0.00 -1.71 0.00 0.00 66.02 62.91 1ggj s SER 498 CO 0.29 -0.87 2.04 -0.65 1.20 0.00 0.00 173.24 175.25 1ggj h PRO 499 N 4.91 0.00 0.00 5.44 0.11 -2.00 0.18 132.00 140.64 1ggj h PRO 499 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ggj h PRO 499 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ggj h PRO 499 CO 0.79 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 1ggj h SER 500 N 0.00 0.00 1.06 -2.05 4.64 -2.01 -2.11 113.55 113.08 1ggj h SER 500 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1ggj h SER 500 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1ggj h SER 500 CO -0.00 0.00 -0.47 -0.26 -0.87 0.00 0.00 176.83 175.23 1ggj h PHE 501 N 0.00 0.00 0.00 4.77 -1.00 -0.99 -3.38 116.94 116.34 1ggj h PHE 501 Ca 0.00 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.70 1ggj h PHE 501 Cb 0.22 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1ggj h PHE 501 CO 0.00 0.00 -0.06 0.41 -1.61 0.00 0.00 178.31 177.05 1ggj n GLY 502 N 1.31 2.14 2.80 -1.45 0.00 -0.79 -4.72 105.19 104.47 1ggj n GLY 502 Ca 0.04 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 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 1.30 0.57 0.00 1.61 -6.30 -1.26 -5.06 118.70 109.56 1ggj s GLU 503 Ca 0.28 0.07 0.01 0.00 -2.50 0.00 0.00 54.97 52.83 1ggj s GLU 503 Cb 0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 34.13 33.41 1ggj s GLU 503 CO 0.00 -0.23 0.07 0.66 0.02 0.00 0.00 175.26 175.78 1ggj n TYR 504 N 4.76 0.00 0.00 5.30 4.01 -1.26 -4.85 117.16 125.12 1ggj n TYR 504 Ca -0.14 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.64 1ggj n TYR 504 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 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 -0.99 0.00 -0.05 -0.72 4.01 -1.26 -4.50 117.16 113.65 1ggj n TYR 505 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1ggj n TYR 505 Cb 0.02 -0.17 0.16 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.64 -0.05 7.72 4.64 -1.89 -1.92 113.55 122.70 1ggj h SER 506 Ca 0.00 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 1ggj h SER 506 Cb 0.35 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ggj h SER 506 CO 0.00 0.82 -0.12 0.45 -0.87 0.00 0.00 176.83 177.11 1ggj h HIS 507 N 0.58 0.22 -0.75 4.77 3.86 -1.91 -0.85 115.15 121.07 1ggj h HIS 507 Ca 0.10 -0.08 0.17 0.00 -1.16 0.00 0.00 60.37 59.39 1ggj h HIS 507 Cb 0.61 -0.04 -0.12 0.00 1.06 0.00 0.00 27.41 28.93 1ggj h HIS 507 CO 0.03 0.73 0.13 -1.35 0.86 0.00 0.00 177.93 178.33 1ggj h PRO 508 N -0.36 0.20 -0.44 2.45 0.11 -1.80 0.90 132.00 133.05 1ggj h PRO 508 Ca -0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1ggj h PRO 508 Cb 0.73 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1ggj h PRO 508 CO 0.03 0.13 0.06 -0.09 -0.21 0.00 0.00 178.00 177.92 1ggj h ARG 509 N 0.21 0.74 -0.67 1.05 2.43 -1.21 -0.25 114.38 116.68 1ggj h ARG 509 Ca 0.43 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1ggj h ARG 509 Cb 0.76 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 1ggj h ARG 509 CO -0.57 0.78 0.41 1.25 -1.51 0.00 0.00 179.97 180.33 1ggj h LEU 510 N 0.60 0.67 0.19 3.80 5.85 0.40 -0.23 115.31 126.59 1ggj h LEU 510 Ca 0.13 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1ggj h LEU 510 Cb 0.40 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ggj h LEU 510 CO 0.01 0.46 -0.09 0.15 -0.34 0.00 0.00 178.44 178.63 1ggj h PHE 511 N 0.81 -0.24 -0.34 1.25 3.04 -0.56 -2.50 116.94 118.40 1ggj h PHE 511 Ca 0.27 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.29 1ggj h PHE 511 Cb 0.03 0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.54 1ggj h PHE 511 CO -0.05 -0.13 -0.25 2.35 -2.02 0.00 0.00 178.31 178.21 1ggj h TRP 512 N -0.28 -0.65 0.00 0.41 2.91 -0.47 -1.54 115.95 116.33 1ggj h TRP 512 Ca -0.03 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1ggj h TRP 512 Cb 0.21 0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 29.20 1ggj h TRP 512 CO -0.06 -0.32 -0.04 -0.07 -1.03 0.00 0.00 178.44 176.92 1ggj h LEU 513 N -0.20 0.00 0.00 0.65 3.38 -1.00 -2.70 115.31 115.43 1ggj h LEU 513 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ggj h LEU 513 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ggj h LEU 513 CO -0.46 0.04 -0.20 -1.20 0.09 0.00 0.00 178.44 176.71 1ggj n SER 514 N -3.21 0.33 -4.84 -0.43 7.64 -0.60 -4.83 113.62 107.68 1ggj n SER 514 Ca -0.01 0.27 -0.33 0.00 1.01 0.00 0.00 58.87 59.82 1ggj n SER 514 Cb 0.23 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 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 -3.03 4.10 0.97 1.43 -1.52 -1.02 -4.22 119.66 116.36 1ggj s GLN 515 Ca 0.12 0.91 -0.12 0.00 -1.95 0.00 0.00 55.36 54.32 1ggj s GLN 515 Cb 0.17 -2.28 0.17 0.00 -0.22 0.00 0.00 33.01 30.86 1ggj s GLN 515 CO 0.60 0.01 1.09 0.95 -0.25 0.00 0.00 175.29 177.69 1ggj s THR 516 N -2.17 2.34 0.21 -0.19 -4.23 -1.26 -4.74 115.64 105.60 1ggj s THR 516 Ca 0.58 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 61.10 1ggj s THR 516 Cb -0.10 -2.52 0.14 0.00 1.34 0.00 0.00 72.50 71.36 1ggj s THR 516 CO 0.17 -0.15 1.86 -0.65 -0.54 0.00 0.00 174.62 175.32 1ggj h PRO 517 N -1.83 0.88 0.00 3.99 0.11 -1.97 0.65 132.00 133.83 1ggj h PRO 517 Ca -0.53 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.45 1ggj h PRO 517 Cb 1.31 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ggj h PRO 517 CO 0.54 0.58 -0.41 0.27 -0.21 0.00 0.00 178.00 178.77 1ggj h PHE 518 N 0.90 0.00 -0.36 0.65 -0.00 -1.95 0.03 116.94 116.21 1ggj h PHE 518 Ca 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 58.13 1ggj h PHE 518 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.91 1ggj h PHE 518 CO -0.03 0.41 -0.23 0.93 -0.00 0.00 0.00 178.31 179.39 1ggj h GLU 519 N 0.00 0.79 -0.46 6.09 5.08 -1.69 -1.43 114.58 122.96 1ggj h GLU 519 Ca -0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1ggj h GLU 519 Cb 0.83 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1ggj h GLU 519 CO 0.05 0.99 0.24 1.96 -1.00 0.00 0.00 179.01 181.25 1ggj h GLN 520 N 0.58 0.65 -0.51 2.33 4.20 -0.58 -0.48 115.11 121.30 1ggj h GLN 520 Ca 0.07 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.73 1ggj h GLN 520 Cb 0.79 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1ggj h GLN 520 CO 0.06 0.53 0.28 -0.09 -0.67 0.00 0.00 178.83 178.94 1ggj h ARG 521 N 0.60 0.53 -0.36 1.46 9.65 -0.86 -0.49 114.38 124.91 1ggj h ARG 521 Ca 0.16 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.99 1ggj h ARG 521 Cb 0.08 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1ggj h ARG 521 CO -0.02 0.35 0.13 0.45 2.80 0.00 0.00 179.97 183.68 1ggj h HIS 522 N 0.55 0.51 0.07 2.20 3.86 -0.72 0.15 115.15 121.77 1ggj h HIS 522 Ca 0.21 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1ggj h HIS 522 Cb 0.08 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1ggj h HIS 522 CO -0.08 0.41 -0.03 0.82 0.86 0.00 0.00 177.93 179.90 1ggj h ILE 523 N 0.51 1.08 -0.53 2.45 2.04 -0.33 -0.45 117.51 122.28 1ggj h ILE 523 Ca 0.13 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1ggj h ILE 523 Cb 0.12 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1ggj h ILE 523 CO -0.01 0.12 0.13 0.58 0.00 0.00 0.00 178.15 178.97 1ggj h VAL 524 N -0.31 0.72 -0.80 1.67 2.07 -0.61 -1.39 116.25 117.60 1ggj h VAL 524 Ca -0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1ggj h VAL 524 Cb 0.27 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1ggj h VAL 524 CO 0.02 0.05 0.38 0.44 0.02 0.00 0.00 177.57 178.48 1ggj h ASP 525 N 0.28 1.05 0.26 0.57 3.45 -0.56 -0.87 116.42 120.60 1ggj h ASP 525 Ca 0.27 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.59 1ggj h ASP 525 Cb 0.36 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1ggj h ASP 525 CO -0.33 0.88 -0.13 1.23 -1.57 0.00 0.00 179.24 179.33 1ggj h GLY 526 N 1.17 -0.37 0.57 2.75 0.00 -0.03 -1.19 103.07 105.97 1ggj h GLY 526 Ca 0.28 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.78 1ggj h GLY 526 CO -0.03 -0.13 -0.08 0.74 0.00 0.00 0.00 176.54 177.03 1ggj h PHE 527 N -0.47 -0.19 -0.38 5.60 0.04 -1.33 0.10 116.94 120.31 1ggj h PHE 527 Ca -0.04 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.80 1ggj h PHE 527 Cb 0.35 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 1ggj h PHE 527 CO -0.03 -0.13 0.13 0.77 -0.60 0.00 0.00 178.31 178.45 1ggj h SER 528 N -0.06 0.13 0.10 2.17 0.02 -1.08 0.21 113.55 115.04 1ggj h SER 528 Ca 0.09 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ggj h SER 528 Cb 0.20 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1ggj h SER 528 CO -0.21 0.11 -0.05 0.15 -1.14 0.00 0.00 176.83 175.70 1ggj h PHE 529 N 0.28 -0.12 -0.56 3.45 3.04 -1.05 -1.72 116.94 120.26 1ggj h PHE 529 Ca 0.18 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1ggj h PHE 529 Cb 0.16 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1ggj h PHE 529 CO -0.15 0.07 0.34 0.93 -2.02 0.00 0.00 178.31 177.48 1ggj h GLU 530 N -0.30 0.75 -0.02 1.11 5.08 -0.70 -2.48 114.58 118.02 1ggj h GLU 530 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1ggj h GLU 530 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ggj h GLU 530 CO 0.02 0.54 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.23 1ggj h LEU 531 N 0.75 0.04 -2.06 1.33 3.38 -0.54 -1.49 115.31 116.72 1ggj h LEU 531 Ca 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ggj h LEU 531 Cb -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ggj h LEU 531 CO -0.04 0.31 -0.04 0.77 0.09 0.00 0.00 178.44 179.53 1ggj h SER 532 N 0.04 0.00 0.16 -0.43 4.64 -0.84 -1.45 113.55 115.66 1ggj h SER 532 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggj h SER 532 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ggj h SER 532 CO 0.04 0.04 -0.12 0.29 -0.87 0.00 0.00 176.83 176.21 1ggj n LYS 533 N -3.26 1.11 -2.89 4.77 4.76 -0.57 -4.77 118.16 117.32 1ggj n LYS 533 Ca -0.01 -0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 54.43 1ggj n LYS 533 Cb 0.22 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 1ggj n LYS 533 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ggj s VAL 534 N -2.29 4.73 0.16 -0.18 1.01 -0.55 -4.50 120.40 118.78 1ggj s VAL 534 Ca 0.32 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 1ggj s VAL 534 Cb 0.20 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1ggj s VAL 534 CO 0.44 -0.33 1.43 0.58 0.00 0.00 0.00 175.10 177.21 1ggj h VAL 535 N 5.66 1.32 -3.61 2.92 2.07 -1.86 -3.42 116.25 119.33 1ggj h VAL 535 Ca -0.24 -1.93 -0.60 0.00 0.82 0.00 0.00 66.70 64.75 1ggj h VAL 535 Cb 1.09 1.90 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 1ggj h VAL 535 CO 0.92 0.60 0.60 -0.13 0.02 0.00 0.00 177.57 179.58 1ggj s ARG 536 N -3.84 3.64 0.31 1.57 0.52 -1.26 -4.95 118.95 114.94 1ggj s ARG 536 Ca -0.08 0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1ggj s ARG 536 Cb 0.10 -3.89 0.64 0.00 0.52 0.00 0.00 34.95 32.33 1ggj s ARG 536 CO 0.86 -1.14 1.85 -1.35 0.02 0.00 0.00 175.30 175.54 1ggj h PRO 537 N 8.90 0.87 -0.48 3.54 0.11 -1.98 -2.04 132.00 140.92 1ggj h PRO 537 Ca -0.24 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.87 1ggj h PRO 537 Cb 1.08 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 1ggj h PRO 537 CO 1.02 0.58 0.32 0.10 -0.21 0.00 0.00 178.00 179.80 1ggj h TYR 538 N 0.90 0.46 -0.65 0.65 -0.00 -1.97 -0.46 116.97 115.89 1ggj h TYR 538 Ca 0.47 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 59.13 1ggj h TYR 538 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 36.73 37.10 1ggj h TYR 538 CO -0.00 0.26 0.08 0.82 -0.00 0.00 0.00 178.16 179.31 1ggj h ILE 539 N 0.46 1.26 -0.66 -0.90 2.04 -1.78 -1.37 117.51 116.57 1ggj h ILE 539 Ca 0.20 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1ggj h ILE 539 Cb 0.22 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1ggj h ILE 539 CO -0.05 0.40 0.39 0.03 0.00 0.00 0.00 178.15 178.92 1ggj h ARG 540 N 1.01 0.90 -0.55 2.37 3.08 -1.18 -1.97 114.38 118.04 1ggj h ARG 540 Ca 0.19 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 1ggj h ARG 540 Cb 0.47 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1ggj h ARG 540 CO 0.02 0.65 0.23 0.93 -1.07 0.00 0.00 179.97 180.73 1ggj h GLU 541 N 0.90 0.82 -0.39 0.04 5.08 -1.10 -1.54 114.58 118.40 1ggj h GLU 541 Ca 0.24 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1ggj h GLU 541 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ggj h GLU 541 CO -0.04 0.71 0.02 0.00 -1.00 0.00 0.00 179.01 178.70 1ggj h ARG 542 N 0.75 0.60 -0.11 2.33 3.08 -1.05 0.08 114.38 120.06 1ggj h ARG 542 Ca 0.19 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.91 1ggj h ARG 542 Cb 0.18 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ggj h ARG 542 CO -0.02 0.61 -0.73 0.28 -1.07 0.00 0.00 179.97 179.04 1ggj h VAL 543 N 0.58 1.34 -0.95 2.04 2.07 -1.09 -2.42 116.25 117.83 1ggj h VAL 543 Ca 0.12 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1ggj h VAL 543 Cb 0.33 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1ggj h VAL 543 CO 0.01 0.63 0.60 0.58 0.02 0.00 0.00 177.57 179.41 1ggj h VAL 544 N 0.37 1.25 -0.81 2.57 2.07 -0.70 0.47 116.25 121.48 1ggj h VAL 544 Ca -0.04 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1ggj h VAL 544 Cb 1.33 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1ggj h VAL 544 CO 0.14 0.26 0.44 -0.78 0.02 0.00 0.00 177.57 177.64 1ggj h ASP 545 N 1.30 1.01 -0.33 0.57 1.82 -0.77 -2.23 116.42 117.80 1ggj h ASP 545 Ca 0.34 -0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.85 1ggj h ASP 545 Cb -0.10 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.64 1ggj h ASP 545 CO -0.07 0.82 0.04 1.56 -1.61 0.00 0.00 179.24 179.98 1ggj h GLN 546 N 1.14 0.55 -0.12 0.28 1.08 -0.72 -3.07 115.11 114.24 1ggj h GLN 546 Ca 0.29 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1ggj h GLN 546 Cb 0.04 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1ggj h GLN 546 CO -0.04 0.65 0.06 -0.07 -0.95 0.00 0.00 178.83 178.47 1ggj h LEU 547 N 0.37 0.15 -1.14 1.46 3.38 -0.54 -0.61 115.31 118.38 1ggj h LEU 547 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ggj h LEU 547 Cb 0.37 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ggj h LEU 547 CO 0.01 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1ggj h ALA 548 N 1.90 1.00 0.00 1.53 0.00 -1.32 -0.61 119.26 121.75 1ggj h ALA 548 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ggj h ALA 548 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ggj h ALA 548 CO -0.01 0.00 -0.24 0.72 0.00 0.00 0.00 179.25 179.72 1ggj n HIS 549 N -2.65 0.71 -0.12 0.00 8.25 -0.24 -4.26 115.22 116.91 1ggj n HIS 549 Ca 0.01 0.21 -0.23 0.00 -0.26 0.00 0.00 57.72 57.45 1ggj n HIS 549 Cb 0.25 -0.79 -0.08 0.00 1.12 0.00 0.00 29.99 30.49 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 -2.14 1.52 -3.64 1.59 5.41 -0.49 -4.08 119.36 117.53 1ggj n ILE 550 Ca 0.05 -0.20 -0.08 0.00 1.00 0.00 0.00 62.75 63.53 1ggj n ILE 550 Cb 0.43 -2.03 -0.07 0.00 -0.71 0.00 0.00 39.64 37.26 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 -7.00 -0.80 0.11 4.38 -1.08 -0.36 -4.62 116.67 107.31 1ggj s ASP 551 Ca -0.34 1.34 -0.15 0.00 -0.52 0.00 0.00 52.55 52.88 1ggj s ASP 551 Cb 0.11 1.34 -0.04 0.00 -1.46 0.00 0.00 42.92 42.87 1ggj s ASP 551 CO 0.48 -0.22 1.53 0.25 0.52 0.00 0.00 175.17 177.73 1ggj h LEU 552 N 6.27 0.67 -0.38 -1.34 7.12 -1.81 -1.77 115.31 124.07 1ggj h LEU 552 Ca -0.29 -0.34 0.04 0.00 0.13 0.00 0.00 57.88 57.41 1ggj h LEU 552 Cb 1.21 -0.18 -0.04 0.00 -0.53 0.00 0.00 40.66 41.11 1ggj h LEU 552 CO 0.14 0.86 0.14 0.74 -0.13 0.00 0.00 178.44 180.20 1ggj h THR 553 N 0.48 0.90 0.11 1.05 2.02 -1.97 0.18 112.91 115.69 1ggj h THR 553 Ca 0.10 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ggj h THR 553 Cb 0.55 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1ggj h THR 553 CO 0.03 0.06 -0.05 0.25 0.37 0.00 0.00 175.52 176.17 1ggj h LEU 554 N 0.31 -0.13 -0.42 2.58 6.46 -1.90 -1.26 115.31 120.95 1ggj h LEU 554 Ca 0.17 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 1ggj h LEU 554 Cb 0.14 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1ggj h LEU 554 CO -0.17 -0.07 0.24 0.00 -0.62 0.00 0.00 178.44 177.83 1ggj h ALA 555 N 0.70 0.54 -0.10 1.25 0.00 -1.03 -1.70 119.26 118.92 1ggj h ALA 555 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ggj h ALA 555 Cb 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ggj h ALA 555 CO 0.03 0.05 0.06 1.96 0.00 0.00 0.00 179.25 181.35 1ggj h GLN 556 N 0.55 0.13 -0.52 0.00 4.20 -0.60 0.29 115.11 119.17 1ggj h GLN 556 Ca 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1ggj h GLN 556 Cb 0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1ggj h GLN 556 CO -0.03 0.11 0.30 0.00 -0.67 0.00 0.00 178.83 178.55 1ggj h ALA 557 N 1.01 0.67 -0.09 3.87 0.00 -1.11 0.15 119.26 123.76 1ggj h ALA 557 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ggj h ALA 557 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ggj h ALA 557 CO -0.01 0.17 0.02 0.28 0.00 0.00 0.00 179.25 179.72 1ggj h VAL 558 N 0.70 1.20 -0.62 0.00 2.07 -1.07 -2.72 116.25 115.80 1ggj h VAL 558 Ca 0.19 -0.60 0.12 0.00 0.82 0.00 0.00 66.70 67.22 1ggj h VAL 558 Cb 0.02 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1ggj h VAL 558 CO -0.03 0.17 0.15 0.00 0.02 0.00 0.00 177.57 177.88 1ggj h ALA 559 N 0.81 0.76 -0.71 1.67 0.00 -0.14 -1.38 119.26 120.26 1ggj h ALA 559 Ca 0.03 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ggj h ALA 559 Cb 0.25 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1ggj h ALA 559 CO 0.00 -0.29 0.40 -0.22 0.00 0.00 0.00 179.25 179.14 1ggj h LYS 560 N 0.28 0.71 0.00 0.00 3.64 -0.52 -1.16 116.57 119.53 1ggj h LYS 560 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1ggj h LYS 560 Cb 0.49 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ggj h LYS 560 CO -0.41 0.47 0.00 -0.91 -2.27 0.00 0.00 179.45 176.34 1ggj h ASN 561 N 0.74 0.00 -0.27 4.20 2.35 -0.96 -2.52 115.58 119.11 1ggj h ASN 561 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 1ggj h ASN 561 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ggj h ASN 561 CO -0.19 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.77 1ggj n LEU 562 N -2.90 2.89 -2.70 1.61 4.77 -0.54 -4.98 117.00 115.15 1ggj n LEU 562 Ca -0.00 -1.50 -0.20 0.00 -0.03 0.00 0.00 56.01 54.28 1ggj n LEU 562 Cb 0.23 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1ggj n LEU 562 CO 0.23 0.64 -0.03 0.61 -1.33 0.00 0.00 177.39 177.51 1ggj n GLY 563 N 0.98 -0.42 3.47 -0.72 0.00 -0.61 -5.00 105.19 102.90 1ggj n GLY 563 Ca 0.14 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.11 3.30 -0.20 -0.61 1.01 -0.68 -5.04 121.20 115.87 1ggj s ILE 564 Ca 0.24 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 1ggj s ILE 564 Cb -0.11 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1ggj s ILE 564 CO 0.30 0.56 0.12 -1.61 0.00 0.00 0.00 174.94 174.31 1ggj s GLU 565 N -0.28 4.12 0.35 2.79 2.02 -1.26 -4.10 118.70 122.33 1ggj s GLU 565 Ca 0.03 -0.26 -0.27 0.00 0.02 0.00 0.00 54.97 54.49 1ggj s GLU 565 Cb -0.13 -3.39 -0.09 0.00 0.10 0.00 0.00 34.13 30.62 1ggj s GLU 565 CO 0.03 0.26 1.18 -0.51 0.02 0.00 0.00 175.26 176.23 1ggj s LEU 566 N 0.47 4.36 0.78 1.80 1.43 -1.26 -5.02 118.68 121.25 1ggj s LEU 566 Ca 0.07 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 1ggj s LEU 566 Cb -0.12 -3.81 0.06 0.00 0.03 0.00 0.00 46.19 42.35 1ggj s LEU 566 CO -0.01 -0.47 1.10 0.42 0.23 0.00 0.00 176.35 177.62 1ggj s THR 567 N -1.27 3.10 0.32 5.49 -4.23 -1.26 -4.86 115.64 112.93 1ggj s THR 567 Ca 0.51 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 61.39 1ggj s THR 567 Cb -0.33 -3.16 0.22 0.00 1.34 0.00 0.00 72.50 70.57 1ggj s THR 567 CO 0.43 -0.47 1.93 0.44 -0.54 0.00 0.00 174.62 176.41 1ggj h ASP 568 N -1.01 0.74 -0.62 3.99 3.45 -1.98 -0.91 116.42 120.07 1ggj h ASP 568 Ca -0.47 -0.07 0.02 0.00 0.43 0.00 0.00 57.03 56.94 1ggj h ASP 568 Cb 1.27 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.81 1ggj h ASP 568 CO 0.60 0.62 0.40 0.44 -1.57 0.00 0.00 179.24 179.73 1ggj h ASP 569 N 0.83 0.67 -0.35 6.45 3.32 -1.98 -1.89 116.42 123.48 1ggj h ASP 569 Ca 0.21 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 1ggj h ASP 569 Cb 0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1ggj h ASP 569 CO -0.03 0.48 -0.12 1.56 -1.72 0.00 0.00 179.24 179.41 1ggj h GLN 570 N 0.80 0.79 0.00 3.56 4.20 -1.75 -2.45 115.11 120.26 1ggj h GLN 570 Ca 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1ggj h GLN 570 Cb -0.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1ggj h GLN 570 CO -0.08 0.87 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.80 1ggj h LEU 571 N 0.71 0.00 -3.03 1.46 3.38 -0.42 -2.31 115.31 115.10 1ggj h LEU 571 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ggj h LEU 571 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1ggj h LEU 571 CO 0.04 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.24 1ggj n ASN 572 N -3.64 3.83 -4.69 -0.43 3.02 -0.89 -4.97 115.26 107.49 1ggj n ASN 572 Ca -0.02 -2.35 -0.42 0.00 -0.03 0.00 0.00 54.58 51.76 1ggj n ASN 572 Cb 0.20 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.64 2.75 0.11 2.41 1.01 -0.87 -4.91 121.20 120.06 1ggj s ILE 573 Ca 0.39 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 1ggj s ILE 573 Cb 0.25 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 1ggj s ILE 573 CO 0.19 0.00 1.12 0.28 0.00 0.00 0.00 174.94 176.53 1ggj s THR 574 N 2.51 4.05 0.56 2.92 -1.32 -1.26 -4.95 115.64 118.14 1ggj s THR 574 Ca 0.77 1.61 -0.21 0.00 -1.21 0.00 0.00 61.69 62.65 1ggj s THR 574 Cb -0.43 -4.03 -0.04 0.00 -1.51 0.00 0.00 72.50 66.49 1ggj s THR 574 CO 0.34 0.20 1.32 -2.16 -2.21 0.00 0.00 174.62 172.12 1ggj s PRO 575 N 0.31 3.08 0.79 7.08 0.04 -1.26 -4.95 135.00 140.08 1ggj s PRO 575 Ca 0.53 2.15 -0.14 0.00 0.04 0.00 0.00 61.00 63.58 1ggj s PRO 575 Cb -0.28 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.15 1ggj s PRO 575 CO 0.32 -1.21 1.22 -1.25 0.04 0.00 0.00 177.00 176.12 1ggj s PRO 576 N -2.99 1.73 0.80 0.56 0.04 -1.26 -4.98 135.00 128.90 1ggj s PRO 576 Ca 0.73 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 1ggj s PRO 576 Cb -0.38 -1.78 0.08 0.00 0.04 0.00 0.00 34.50 32.45 1ggj s PRO 576 CO 0.44 -2.16 1.12 -1.25 0.04 0.00 0.00 177.00 175.20 1ggj s PRO 577 N -4.03 1.91 0.98 0.56 0.04 -1.26 -4.93 135.00 128.27 1ggj s PRO 577 Ca 0.75 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 1ggj s PRO 577 Cb -0.30 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.58 1ggj s PRO 577 CO 0.49 -1.93 1.10 -0.51 0.04 0.00 0.00 177.00 176.19 1ggj s ASP 578 N -2.98 2.48 -0.52 6.66 -0.00 -1.26 -4.72 116.67 116.34 1ggj s ASP 578 Ca 0.65 1.87 -0.19 0.00 -0.00 0.00 0.00 52.55 54.87 1ggj s ASP 578 Cb -0.20 -2.43 0.06 0.00 -0.00 0.00 0.00 42.92 40.35 1ggj s ASP 578 CO 0.54 -3.32 0.64 -0.69 -0.00 0.00 0.00 175.17 172.34 1ggj s VAL 579 N -2.65 4.87 -1.43 -1.27 1.01 -1.15 -4.38 120.40 115.41 1ggj s VAL 579 Ca 0.66 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1ggj s VAL 579 Cb -0.22 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1ggj s VAL 579 CO 0.60 -0.85 0.49 0.59 0.00 0.00 0.00 175.10 175.93 1ggj n ASN 580 N 6.19 -0.77 0.00 3.32 4.13 -1.26 -1.00 115.26 125.88 1ggj n ASN 580 Ca -0.07 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.20 1ggj n ASN 580 Cb 0.45 -3.12 0.00 0.00 -1.54 0.00 0.00 39.78 35.57 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 -1.90 2.65 3.69 7.41 0.00 -1.26 -5.00 105.19 110.78 1ggj n GLY 581 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 4.26 0.00 0.99 1.02 -0.17 -4.93 118.68 119.85 1ggj s LEU 582 Ca 0.00 1.42 0.20 0.00 0.02 0.00 0.00 54.13 55.77 1ggj s LEU 582 Cb 0.00 -3.41 0.34 0.00 0.02 0.00 0.00 46.19 43.13 1ggj s LEU 582 CO 0.00 -0.36 1.28 0.29 0.02 0.00 0.00 176.35 177.59 1ggj n LYS 583 N 4.69 2.23 -3.64 1.70 5.02 -1.26 -2.92 118.16 123.98 1ggj n LYS 583 Ca 0.06 -2.06 -0.02 0.00 -2.02 0.00 0.00 58.31 54.27 1ggj n LYS 583 Cb 0.49 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 1ggj n LYS 583 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ggj s LYS 584 N -1.38 0.05 -0.28 1.97 -2.85 -1.26 -4.71 119.74 111.28 1ggj s LYS 584 Ca 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1ggj s LYS 584 Cb 0.19 0.03 0.15 0.00 -2.06 0.00 0.00 37.83 36.14 1ggj s LYS 584 CO 0.27 -0.02 0.39 0.34 0.10 0.00 0.00 175.35 176.43 1ggj s ASP 585 N -1.89 0.42 0.67 0.03 3.68 -1.26 -4.99 116.67 113.32 1ggj s ASP 585 Ca 0.11 -0.21 0.41 0.00 2.13 0.00 0.00 52.55 54.99 1ggj s ASP 585 Cb -0.01 1.07 2.22 0.00 -1.45 0.00 0.00 42.92 44.75 1ggj s ASP 585 CO -0.03 -0.34 2.26 1.55 0.13 0.00 0.00 175.17 178.73 1ggj h PRO 586 N 8.17 0.00 0.00 4.34 0.13 -1.97 -0.63 132.00 142.04 1ggj h PRO 586 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1ggj h PRO 586 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ggj h PRO 586 CO 0.27 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.70 1ggj h SER 587 N 0.00 0.00 1.26 1.44 4.64 -1.96 -2.40 113.55 116.53 1ggj h SER 587 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggj h SER 587 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ggj h SER 587 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ggj n LEU 588 N -2.90 0.59 -4.86 5.97 4.77 -0.24 -4.83 117.00 115.50 1ggj n LEU 588 Ca -0.00 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.21 1ggj n LEU 588 Cb 0.20 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1ggj n LEU 588 CO 0.23 -0.18 0.26 -0.55 -1.33 0.00 0.00 177.39 175.82 1ggj s SER 589 N -4.10 6.72 0.10 -1.43 0.15 -0.91 -4.89 113.70 109.34 1ggj s SER 589 Ca 0.11 1.04 -0.06 0.00 0.70 0.00 0.00 55.95 57.73 1ggj s SER 589 Cb 0.13 -2.27 -0.17 0.00 -1.71 0.00 0.00 66.02 62.00 1ggj s SER 589 CO 0.55 -0.05 1.23 -0.07 1.20 0.00 0.00 173.24 176.10 1ggj h LEU 590 N 2.76 0.58 0.00 3.45 3.38 -1.88 -3.41 115.31 120.20 1ggj h LEU 590 Ca -0.47 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 56.99 1ggj h LEU 590 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ggj h LEU 590 CO 0.67 1.33 -0.09 -1.22 0.09 0.00 0.00 178.44 179.22 1ggj n TYR 591 N -3.71 0.00 -0.29 1.13 4.01 -1.26 -4.70 117.16 112.34 1ggj n TYR 591 Ca -0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.70 1ggj n TYR 591 Cb 0.90 -0.00 0.18 0.00 -0.31 0.00 0.00 39.34 40.11 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 0.03 1.18 -3.20 -0.72 0.00 -1.86 -3.35 119.26 111.33 1ggj h ALA 592 Ca 0.00 0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.27 1ggj h ALA 592 Cb 0.01 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.42 1ggj h ALA 592 CO 0.00 0.01 -0.62 0.42 0.00 0.00 0.00 179.25 179.06 1ggj s ILE 593 N -6.01 3.64 0.22 0.00 -1.09 -1.26 -5.08 121.20 111.60 1ggj s ILE 593 Ca -0.12 -1.22 -0.31 0.00 -2.23 0.00 0.00 60.65 56.77 1ggj s ILE 593 Cb 0.20 -3.09 -0.15 0.00 -1.58 0.00 0.00 42.46 37.84 1ggj s ILE 593 CO 0.78 -0.20 1.12 -2.65 -1.23 0.00 0.00 174.94 172.76 1ggj n PRO 594 N 4.77 1.27 -2.45 2.79 -0.02 -1.26 -4.90 135.00 135.20 1ggj n PRO 594 Ca -0.12 0.45 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1ggj n PRO 594 Cb 0.44 -1.91 0.09 0.00 -0.02 0.00 0.00 33.50 32.10 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 1.76 -0.78 -4.65 2.55 5.75 -1.26 -5.12 116.55 114.80 1ggj n ASP 595 Ca 0.13 -2.15 -0.43 0.00 -0.01 0.00 0.00 54.79 52.33 1ggj n ASP 595 Cb 0.28 0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.63 1.56 -0.09 6.12 0.00 -1.26 -4.07 107.32 107.96 1ggj s GLY 596 Ca 0.12 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.42 1ggj s GLY 596 CO -0.10 2.68 -0.21 -0.35 0.00 0.00 0.00 173.10 175.12 1ggj s ASP 597 N 2.58 3.35 -0.01 1.64 -1.08 -1.24 -4.89 116.67 117.01 1ggj s ASP 597 Ca 0.61 -0.46 0.20 0.00 -0.52 0.00 0.00 52.55 52.37 1ggj s ASP 597 Cb -0.24 -1.19 -0.26 0.00 -1.46 0.00 0.00 42.92 39.77 1ggj s ASP 597 CO 0.20 0.21 0.63 0.55 0.52 0.00 0.00 175.17 177.28 1ggj n VAL 598 N 3.20 0.00 -1.89 1.11 3.14 -1.26 -4.90 118.33 117.73 1ggj n VAL 598 Ca -0.18 -0.26 -0.42 0.00 -2.96 0.00 0.00 64.34 60.52 1ggj n VAL 598 Cb 0.52 0.50 -0.03 0.00 -1.06 0.00 0.00 33.84 33.78 1ggj n VAL 598 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1ggj s LYS 599 N -3.13 4.19 0.00 1.45 2.20 -1.25 -1.55 119.74 121.66 1ggj s LYS 599 Ca -0.00 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 1ggj s LYS 599 Cb 0.14 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1ggj s LYS 599 CO 0.82 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1ggj n GLY 600 N 3.98 0.47 3.78 5.54 0.00 -0.35 -4.98 105.19 113.63 1ggj n GLY 600 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.85 0.97 0.01 1.61 1.81 -0.59 -4.77 118.95 117.14 1ggj s ARG 601 Ca 0.00 0.23 0.01 0.00 -1.72 0.00 0.00 55.73 54.24 1ggj s ARG 601 Cb 0.00 -1.83 -0.01 0.00 -0.45 0.00 0.00 34.95 32.67 1ggj s ARG 601 CO 0.00 -2.30 -0.04 0.54 -0.68 0.00 0.00 175.30 172.82 1ggj s VAL 602 N -3.30 0.25 -0.09 3.52 0.11 -1.26 -0.26 120.40 119.37 1ggj s VAL 602 Ca 0.65 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 1ggj s VAL 602 Cb -0.14 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1ggj s VAL 602 CO 0.53 -0.14 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.25 1ggj s VAL 603 N -0.60 2.28 -0.01 2.04 1.01 0.12 -0.26 120.40 124.98 1ggj s VAL 603 Ca -0.05 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.75 1ggj s VAL 603 Cb -0.05 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1ggj s VAL 603 CO -0.00 0.56 0.70 0.00 0.00 0.00 0.00 175.10 176.35 1ggj s ALA 604 N 0.20 3.39 -0.28 5.51 0.00 -0.44 -1.17 121.76 128.97 1ggj s ALA 604 Ca -0.13 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1ggj s ALA 604 Cb -0.16 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1ggj s ALA 604 CO 0.07 0.04 -0.04 0.42 0.00 0.00 0.00 175.76 176.25 1ggj s ILE 605 N 0.19 2.80 -0.55 0.00 1.01 0.22 -1.06 121.20 123.80 1ggj s ILE 605 Ca 0.36 -1.33 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 1ggj s ILE 605 Cb -0.19 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1ggj s ILE 605 CO 0.20 -0.01 1.06 -0.76 0.00 0.00 0.00 174.94 175.43 1ggj s LEU 606 N 1.24 3.80 0.59 2.97 1.43 -0.78 -0.83 118.68 127.11 1ggj s LEU 606 Ca -0.04 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1ggj s LEU 606 Cb -0.19 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.03 1ggj s LEU 606 CO -0.03 -1.33 0.87 -0.76 0.23 0.00 0.00 176.35 175.34 1ggj s LEU 607 N 4.39 3.20 0.00 1.79 1.43 0.16 -4.26 118.68 125.39 1ggj s LEU 607 Ca 0.37 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1ggj s LEU 607 Cb -0.10 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1ggj s LEU 607 CO 0.23 -1.16 0.15 -0.46 0.23 0.00 0.00 176.35 175.34 1ggj n ASN 608 N -2.55 0.71 -0.46 2.29 0.23 -1.26 -4.76 115.26 109.46 1ggj n ASN 608 Ca 0.05 -2.78 0.12 0.00 -0.53 0.00 0.00 54.58 51.44 1ggj n ASN 608 Cb 0.59 0.98 0.47 0.00 -2.08 0.00 0.00 39.78 39.74 1ggj n ASN 608 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1ggj n ASP 609 N -1.70 1.40 -3.01 0.53 3.85 -1.26 -4.15 116.55 112.19 1ggj n ASP 609 Ca -0.02 -1.58 -0.15 0.00 -0.71 0.00 0.00 54.79 52.33 1ggj n ASP 609 Cb 0.50 -0.06 0.01 0.00 -1.35 0.00 0.00 41.12 40.23 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 0.12 0.99 -1.86 0.11 2.13 -1.26 -4.32 120.64 116.55 1ggj n GLU 610 Ca 0.17 -2.85 -0.40 0.00 0.66 0.00 0.00 57.16 54.74 1ggj n GLU 610 Cb 0.31 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1ggj n GLU 610 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ggj s VAL 611 N -1.45 2.18 -0.60 6.31 1.01 -1.26 -2.87 120.40 123.73 1ggj s VAL 611 Ca 0.33 0.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 1ggj s VAL 611 Cb 0.33 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1ggj s VAL 611 CO -0.07 0.04 1.78 -0.60 0.00 0.00 0.00 175.10 176.25 1ggj s ARG 612 N -2.18 2.77 0.53 2.72 3.52 -0.61 -1.41 118.95 124.29 1ggj s ARG 612 Ca 0.55 0.60 0.27 0.00 -0.13 0.00 0.00 55.73 57.02 1ggj s ARG 612 Cb -0.44 -4.34 1.41 0.00 -1.56 0.00 0.00 34.95 30.02 1ggj s ARG 612 CO 0.59 -2.56 1.94 0.66 -0.81 0.00 0.00 175.30 175.12 1ggj h SER 613 N 14.14 0.03 -0.63 -2.12 4.64 -1.91 -1.58 113.55 126.12 1ggj h SER 613 Ca -0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.00 1ggj h SER 613 Cb 1.15 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 1ggj h SER 613 CO 1.21 0.01 0.16 0.00 -0.87 0.00 0.00 176.83 177.34 1ggj h ALA 614 N 1.65 0.83 0.22 5.18 0.00 -1.99 0.02 119.26 125.16 1ggj h ALA 614 Ca 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1ggj h ALA 614 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ggj h ALA 614 CO -0.01 0.53 -0.11 -0.44 0.00 0.00 0.00 179.25 179.22 1ggj h ASP 615 N 0.92 -0.25 -0.63 0.00 3.45 -1.66 -1.76 116.42 116.49 1ggj h ASP 615 Ca 0.20 -0.10 0.10 0.00 0.43 0.00 0.00 57.03 57.66 1ggj h ASP 615 Cb 0.34 0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.10 1ggj h ASP 615 CO 0.00 -0.05 0.22 0.25 -1.57 0.00 0.00 179.24 178.09 1ggj h LEU 616 N -0.44 0.19 -0.53 1.55 6.46 -1.32 0.43 115.31 121.65 1ggj h LEU 616 Ca -0.03 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1ggj h LEU 616 Cb 0.34 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1ggj h LEU 616 CO 0.05 0.11 0.28 -0.07 -0.62 0.00 0.00 178.44 178.18 1ggj h LEU 617 N 0.38 0.67 -0.31 2.25 3.38 -0.89 0.35 115.31 121.15 1ggj h LEU 617 Ca 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ggj h LEU 617 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ggj h LEU 617 CO -0.34 0.59 0.14 0.00 0.09 0.00 0.00 178.44 178.92 1ggj h ALA 618 N 1.11 0.41 0.82 1.53 0.00 -0.27 -1.99 119.26 120.87 1ggj h ALA 618 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ggj h ALA 618 Cb 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ggj h ALA 618 CO -0.03 -0.02 -0.43 0.82 0.00 0.00 0.00 179.25 179.58 1ggj h ILE 619 N 0.37 0.00 -0.82 0.00 2.04 0.02 -2.19 117.51 116.93 1ggj h ILE 619 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1ggj h ILE 619 Cb 0.14 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.17 1ggj h ILE 619 CO -0.01 0.00 0.54 -0.07 0.00 0.00 0.00 178.15 178.60 1ggj h LEU 620 N -1.15 0.87 -0.31 1.44 3.38 -0.96 -2.29 115.31 116.30 1ggj h LEU 620 Ca -0.11 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 1ggj h LEU 620 Cb 0.90 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ggj h LEU 620 CO 0.16 0.61 -0.78 0.50 0.09 0.00 0.00 178.44 179.01 1ggj h LYS 621 N 1.02 0.49 -0.60 1.13 3.64 -1.38 -2.16 116.57 118.70 1ggj h LYS 621 Ca 0.32 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 59.25 1ggj h LYS 621 Cb 0.02 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1ggj h LYS 621 CO -0.09 1.06 0.25 0.00 -2.27 0.00 0.00 179.45 178.40 1ggj h ALA 622 N 0.82 0.78 -0.08 5.00 0.00 -0.99 -0.93 119.26 123.86 1ggj h ALA 622 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ggj h ALA 622 Cb 1.38 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ggj h ALA 622 CO 0.14 0.39 0.03 -0.07 0.00 0.00 0.00 179.25 179.74 1ggj h LEU 623 N 0.84 0.11 -1.06 0.00 3.38 -1.42 -2.96 115.31 114.20 1ggj h LEU 623 Ca 0.20 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1ggj h LEU 623 Cb 0.18 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1ggj h LEU 623 CO -0.02 0.25 0.63 0.50 0.09 0.00 0.00 178.44 179.90 1ggj h LYS 624 N -0.04 1.14 -0.84 1.13 3.11 -1.23 -0.58 116.57 119.25 1ggj h LYS 624 Ca 0.03 -0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.89 1ggj h LYS 624 Cb 0.18 -0.26 -0.06 0.00 -1.00 0.00 0.00 32.23 31.09 1ggj h LYS 624 CO -0.00 0.75 0.55 0.00 -2.81 0.00 0.00 179.45 177.94 1ggj h ALA 625 N 1.46 1.70 -0.57 5.00 0.00 -1.01 -1.43 119.26 124.41 1ggj h ALA 625 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1ggj h ALA 625 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ggj h ALA 625 CO -0.14 0.13 0.00 1.63 0.00 0.00 0.00 179.25 180.87 1ggj n LYS 626 N -4.51 2.57 -1.45 0.00 4.76 -0.57 -4.95 118.16 114.01 1ggj n LYS 626 Ca 0.14 -2.41 -0.07 0.00 -2.87 0.00 0.00 58.31 53.10 1ggj n LYS 626 Cb 0.31 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 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 1.57 0.73 3.73 0.72 0.00 -0.54 -3.88 105.19 107.53 1ggj n GLY 627 Ca 0.22 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.30 5.12 0.49 1.61 1.01 -0.33 -1.22 120.40 124.78 1ggj s VAL 628 Ca 0.00 1.07 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1ggj s VAL 628 Cb 0.00 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1ggj s VAL 628 CO 0.00 0.34 0.75 -1.00 0.00 0.00 0.00 175.10 175.19 1ggj s HIS 629 N 0.46 3.29 0.07 5.22 3.76 0.65 -3.80 115.29 124.94 1ggj s HIS 629 Ca 0.28 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.66 1ggj s HIS 629 Cb -0.16 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1ggj s HIS 629 CO 0.13 -0.46 -0.10 0.00 -0.85 0.00 0.00 174.74 173.46 1ggj s ALA 630 N -2.70 0.91 -0.09 -1.40 0.00 -1.26 0.14 121.76 117.36 1ggj s ALA 630 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.45 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 0.41 -0.00 -0.07 -1.59 0.00 0.00 0.00 175.76 174.50 1ggj s LYS 631 N -2.19 1.38 -0.37 0.00 -2.85 -0.32 -4.89 119.74 110.50 1ggj s LYS 631 Ca -0.01 -0.22 -0.23 0.00 -1.00 0.00 0.00 55.97 54.50 1ggj s LYS 631 Cb -0.06 -1.41 0.01 0.00 -2.06 0.00 0.00 37.83 34.30 1ggj s LYS 631 CO 0.00 -0.20 0.79 -0.51 0.10 0.00 0.00 175.35 175.53 1ggj s LEU 632 N 1.49 4.13 0.22 2.77 1.43 -1.26 -0.61 118.68 126.84 1ggj s LEU 632 Ca 0.00 0.32 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1ggj s LEU 632 Cb -0.13 -3.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 1ggj s LEU 632 CO -0.05 -0.76 0.06 -0.76 0.23 0.00 0.00 176.35 175.08 1ggj s LEU 633 N 3.14 3.46 0.00 1.79 1.02 -0.01 -0.18 118.68 127.90 1ggj s LEU 633 Ca 0.32 -0.39 -0.08 0.00 0.02 0.00 0.00 54.13 53.99 1ggj s LEU 633 Cb -0.13 -2.05 0.03 0.00 0.02 0.00 0.00 46.19 44.07 1ggj s LEU 633 CO 0.18 0.03 0.47 0.00 0.02 0.00 0.00 176.35 177.05 1ggj n TYR 634 N -0.61 -1.76 1.14 0.29 9.36 -0.96 -0.67 117.16 123.95 1ggj n TYR 634 Ca -0.08 -1.21 0.14 0.00 3.32 0.00 0.00 57.90 60.06 1ggj n TYR 634 Cb 0.57 0.55 0.65 0.00 -0.63 0.00 0.00 39.34 40.48 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 -1.40 0.00 -3.32 2.98 3.41 -1.26 -1.83 113.62 112.20 1ggj n SER 635 Ca -0.05 0.19 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1ggj n SER 635 Cb 0.37 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 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 -2.78 1.98 0.25 4.33 1.70 -1.26 -4.90 118.95 118.27 1ggj s ARG 636 Ca 0.20 -1.42 -0.02 0.00 -0.47 0.00 0.00 55.73 54.03 1ggj s ARG 636 Cb 0.18 0.56 0.05 0.00 -0.57 0.00 0.00 34.95 35.17 1ggj s ARG 636 CO 0.46 -0.89 0.34 -1.33 -1.08 0.00 0.00 175.30 172.81 1ggj n MET 637 N -0.51 0.16 0.00 3.89 2.81 -1.26 -4.68 117.12 117.53 1ggj n MET 637 Ca -0.04 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.06 1ggj n MET 637 Cb 0.60 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 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 2.51 1.01 3.43 3.03 0.00 -1.26 -4.97 105.19 108.94 1ggj n GLY 638 Ca 0.05 -1.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 1ggj n GLY 638 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggj s GLU 639 N 0.00 1.58 0.02 1.61 2.02 -1.26 -1.45 118.70 121.23 1ggj s GLU 639 Ca 0.00 -1.84 0.02 0.00 0.02 0.00 0.00 54.97 53.17 1ggj s GLU 639 Cb 0.00 -1.00 -0.01 0.00 0.10 0.00 0.00 34.13 33.21 1ggj s GLU 639 CO 0.00 -0.07 -0.05 0.14 0.02 0.00 0.00 175.26 175.29 1ggj s VAL 640 N -3.16 0.39 -0.22 2.63 -7.23 -0.62 -4.96 120.40 107.22 1ggj s VAL 640 Ca 0.32 -0.63 -0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1ggj s VAL 640 Cb 0.06 -0.41 -0.03 0.00 0.56 0.00 0.00 36.38 36.56 1ggj s VAL 640 CO 0.13 -0.17 0.05 -0.89 -0.31 0.00 0.00 175.10 173.91 1ggj s THR 641 N -0.78 4.26 1.24 5.32 2.01 -1.26 0.47 115.64 126.90 1ggj s THR 641 Ca -0.05 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 1ggj s THR 641 Cb -0.06 -2.96 0.30 0.00 0.01 0.00 0.00 72.50 69.79 1ggj s THR 641 CO -0.00 0.38 1.08 0.00 -0.69 0.00 0.00 174.62 175.39 1ggj s ALA 642 N 1.25 0.35 0.43 7.40 0.00 0.12 -4.12 121.76 127.18 1ggj s ALA 642 Ca 0.04 -0.89 0.13 0.00 0.00 0.00 0.00 51.96 51.24 1ggj s ALA 642 Cb -0.15 -2.91 1.01 0.00 0.00 0.00 0.00 23.12 21.07 1ggj s ALA 642 CO 0.03 -3.76 1.97 0.38 0.00 0.00 0.00 175.76 174.37 1ggj h ASP 643 N -2.72 0.40 -0.61 0.00 3.04 -1.46 -1.33 116.42 113.75 1ggj h ASP 643 Ca -0.45 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1ggj h ASP 643 Cb 1.30 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1ggj h ASP 643 CO 0.34 0.24 0.00 -0.90 -2.04 0.00 0.00 179.24 176.88 1ggj n ASP 644 N -4.47 4.26 0.00 4.15 3.85 -1.26 -4.92 116.55 118.15 1ggj n ASP 644 Ca 0.11 -2.34 0.00 0.00 -0.71 0.00 0.00 54.79 51.85 1ggj n ASP 644 Cb 0.39 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 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 1.16 1.18 3.71 6.12 0.00 -0.50 -5.02 105.19 111.85 1ggj n GLY 645 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.93 2.53 -0.26 2.61 2.01 -1.26 -4.66 115.64 113.68 1ggj s THR 646 Ca 0.00 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 1ggj s THR 646 Cb 0.00 -3.17 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 1ggj s THR 646 CO 0.00 0.01 0.74 -0.69 -0.69 0.00 0.00 174.62 173.99 1ggj s VAL 647 N 1.74 4.89 -0.25 3.82 1.01 -1.26 0.16 120.40 130.50 1ggj s VAL 647 Ca 0.74 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.96 1ggj s VAL 647 Cb -0.45 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1ggj s VAL 647 CO 0.33 -0.07 0.08 -0.76 0.00 0.00 0.00 175.10 174.67 1ggj s LEU 648 N 2.73 3.50 -0.06 3.92 1.02 0.18 -4.96 118.68 125.01 1ggj s LEU 648 Ca 0.31 -0.18 -0.30 0.00 0.02 0.00 0.00 54.13 53.98 1ggj s LEU 648 Cb -0.15 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1ggj s LEU 648 CO 0.09 -0.03 1.12 -2.16 0.02 0.00 0.00 176.35 175.38 1ggj s PRO 649 N 1.58 4.40 -0.12 1.29 0.04 -1.26 -1.59 135.00 139.33 1ggj s PRO 649 Ca 0.06 1.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.44 1ggj s PRO 649 Cb -0.15 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1ggj s PRO 649 CO 0.04 -0.36 0.67 0.42 0.04 0.00 0.00 177.00 177.81 1ggj s ILE 650 N 1.98 5.04 0.01 0.56 1.01 -0.52 -4.75 121.20 124.52 1ggj s ILE 650 Ca 0.53 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 62.42 1ggj s ILE 650 Cb -0.22 -4.00 -0.32 0.00 0.01 0.00 0.00 42.46 37.93 1ggj s ILE 650 CO 0.21 0.20 0.92 0.00 0.00 0.00 0.00 174.94 176.27 1ggj h ALA 651 N 7.02 0.05 -2.61 9.38 0.00 -0.90 -3.41 119.26 128.79 1ggj h ALA 651 Ca -0.37 -0.98 0.13 0.00 0.00 0.00 0.00 54.91 53.68 1ggj h ALA 651 Cb 1.17 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1ggj h ALA 651 CO 0.77 0.92 0.38 0.00 0.00 0.00 0.00 179.25 181.32 1ggj s ALA 652 N -2.61 -1.50 0.59 0.00 0.00 -1.17 -5.03 121.76 112.03 1ggj s ALA 652 Ca -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1ggj s ALA 652 Cb 0.06 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1ggj s ALA 652 CO 0.89 -1.01 0.86 0.95 0.00 0.00 0.00 175.76 177.46 1ggj s THR 653 N -3.53 3.18 0.25 0.00 -4.23 -1.26 -2.28 115.64 107.77 1ggj s THR 653 Ca 0.11 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1ggj s THR 653 Cb -0.03 -3.26 0.26 0.00 1.34 0.00 0.00 72.50 70.81 1ggj s THR 653 CO 0.03 -0.24 1.91 -0.26 -0.54 0.00 0.00 174.62 175.52 1ggj h PHE 654 N -0.13 1.24 -0.01 3.99 0.05 -1.70 -1.77 116.94 118.61 1ggj h PHE 654 Ca -0.45 0.03 -0.17 0.00 3.82 0.00 0.00 57.97 61.21 1ggj h PHE 654 Cb 1.28 -0.41 -0.02 0.00 2.00 0.00 0.00 35.95 38.80 1ggj h PHE 654 CO 0.41 0.73 -0.75 0.00 -0.18 0.00 0.00 178.31 178.52 1ggj h ALA 655 N 1.40 0.72 0.00 2.45 0.00 -1.92 -3.28 119.26 118.63 1ggj h ALA 655 Ca 0.39 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1ggj h ALA 655 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ggj h ALA 655 CO -0.11 0.88 -0.44 0.78 0.00 0.00 0.00 179.25 180.35 1ggj h GLY 656 N 1.95 0.00 -6.16 0.00 0.00 -1.71 -3.35 103.07 93.79 1ggj h GLY 656 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.74 1ggj h GLY 656 CO 0.11 0.00 -1.02 0.00 0.00 0.00 0.00 176.54 175.63 1ggj n ALA 657 N -2.43 2.70 -0.77 3.60 0.00 -0.89 -4.87 120.51 117.87 1ggj n ALA 657 Ca -0.01 -3.43 -0.33 0.00 0.00 0.00 0.00 53.44 49.67 1ggj n ALA 657 Cb 0.48 -0.80 0.13 0.00 0.00 0.00 0.00 19.45 19.26 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 1.85 -0.45 0.23 0.00 -0.04 -1.24 -4.87 135.00 130.48 1ggj n PRO 658 Ca 0.24 -0.09 0.17 0.00 -0.04 0.00 0.00 63.50 63.78 1ggj n PRO 658 Cb 0.50 -1.91 0.85 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.66 0.00 -0.86 3.54 4.64 -1.85 -2.22 113.55 115.14 1ggj h SER 659 Ca -0.44 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1ggj h SER 659 Cb 1.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1ggj h SER 659 CO 0.36 0.00 0.58 -0.07 -0.87 0.00 0.00 176.83 176.83 1ggj h LEU 660 N 0.00 0.31 -0.09 5.97 3.38 -1.95 -1.84 115.31 121.10 1ggj h LEU 660 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ggj h LEU 660 Cb 0.37 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ggj h LEU 660 CO -0.00 0.13 -0.17 0.35 0.09 0.00 0.00 178.44 178.84 1ggj n THR 661 N -4.46 0.00 -4.29 0.22 -2.24 -0.83 -4.91 114.28 97.77 1ggj n THR 661 Ca 0.18 -0.02 -0.28 0.00 -2.27 0.00 0.00 64.05 61.66 1ggj n THR 661 Cb 0.72 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.79 1.76 -0.39 2.28 -7.23 -0.69 -4.92 120.40 108.42 1ggj s VAL 662 Ca 0.19 -1.75 0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1ggj s VAL 662 Cb 0.19 -2.51 -0.17 0.00 0.56 0.00 0.00 36.38 34.45 1ggj s VAL 662 CO 0.55 0.00 0.46 0.47 -0.31 0.00 0.00 175.10 176.27 1ggj n ASP 663 N -1.37 1.11 -3.48 4.85 9.92 0.64 -4.99 116.55 123.23 1ggj n ASP 663 Ca -0.07 -0.50 -0.10 0.00 -0.53 0.00 0.00 54.79 53.59 1ggj n ASP 663 Cb 0.65 1.24 -0.02 0.00 -0.64 0.00 0.00 41.12 42.35 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 -2.52 -1.75 -0.04 2.24 0.00 -1.22 -4.11 121.76 114.37 1ggj s ALA 664 Ca 0.01 0.86 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ggj s ALA 664 Cb 0.10 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1ggj s ALA 664 CO 0.55 -0.70 -0.13 0.08 0.00 0.00 0.00 175.76 175.56 1ggj s VAL 665 N -3.25 1.12 -0.07 0.00 1.01 -0.71 -1.32 120.40 117.16 1ggj s VAL 665 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1ggj s VAL 665 Cb -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1ggj s VAL 665 CO -0.10 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.51 1ggj s ILE 666 N 0.15 1.71 -0.32 2.22 1.01 -0.23 -0.41 121.20 125.33 1ggj s ILE 666 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1ggj s ILE 666 Cb -0.10 -1.49 0.09 0.00 0.01 0.00 0.00 42.46 40.97 1ggj s ILE 666 CO 0.01 0.48 0.02 -0.69 0.00 0.00 0.00 174.94 174.77 1ggj s VAL 667 N 0.28 2.23 0.65 2.92 1.01 0.34 -1.86 120.40 125.97 1ggj s VAL 667 Ca -0.13 -2.19 -0.14 0.00 0.00 0.00 0.00 61.98 59.52 1ggj s VAL 667 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1ggj s VAL 667 CO 0.06 -0.49 1.08 -2.16 0.00 0.00 0.00 175.10 173.58 1ggj s PRO 668 N 0.96 2.97 0.83 2.72 0.04 -1.26 -1.10 135.00 140.16 1ggj s PRO 668 Ca 0.07 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 1ggj s PRO 668 Cb -0.19 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1ggj s PRO 668 CO -0.08 -1.09 1.13 0.00 0.04 0.00 0.00 177.00 177.00 1ggj n GLY 670 N -0.39 -0.11 3.54 0.00 0.00 -1.26 -1.58 105.19 105.40 1ggj n GLY 670 Ca 0.11 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 6.67 0.33 1.61 3.04 -1.14 -4.78 114.94 116.67 1ggj s ASN 671 Ca 0.00 -1.96 0.13 0.00 0.04 0.00 0.00 52.86 51.07 1ggj s ASN 671 Cb 0.00 -2.54 0.56 0.00 -1.54 0.00 0.00 41.25 37.74 1ggj s ASN 671 CO 0.00 -1.29 1.72 0.40 -3.04 0.00 0.00 177.10 174.90 1ggj h ILE 672 N 6.13 1.30 0.00 -5.21 1.08 -1.93 -2.15 117.51 116.72 1ggj h ILE 672 Ca 0.28 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.07 1ggj h ILE 672 Cb 0.96 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.62 1ggj h ILE 672 CO 1.38 0.47 -0.03 0.00 -0.69 0.00 0.00 178.15 179.29 1ggj h ALA 673 N 1.52 1.24 -0.58 1.87 0.00 -1.96 0.55 119.26 121.89 1ggj h ALA 673 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ggj h ALA 673 Cb 0.88 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1ggj h ALA 673 CO 0.06 0.03 0.39 0.22 0.00 0.00 0.00 179.25 179.96 1ggj h ASP 674 N 0.00 0.42 0.00 0.00 -0.00 -1.79 -3.20 116.42 111.85 1ggj h ASP 674 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ggj h ASP 674 Cb 0.12 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.36 1ggj h ASP 674 CO 0.00 0.27 0.00 2.30 -0.00 0.00 0.00 179.24 181.81 1ggj n ILE 675 N -4.47 0.00 -0.37 2.25 -5.35 -0.41 -4.82 119.36 106.19 1ggj n ILE 675 Ca 0.09 -0.37 0.05 0.00 -0.27 0.00 0.00 62.75 62.25 1ggj n ILE 675 Cb 0.30 1.24 0.20 0.00 -1.74 0.00 0.00 39.64 39.64 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 0.00 1.46 -0.47 -1.28 0.00 0.04 -1.72 119.26 117.28 1ggj h ALA 676 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1ggj h ALA 676 Cb 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 1ggj h ALA 676 CO 0.00 0.35 0.09 -0.25 0.00 0.00 0.00 179.25 179.44 1ggj n ASP 677 N -4.55 3.34 -4.54 0.00 10.43 -1.26 -4.90 116.55 115.07 1ggj n ASP 677 Ca 0.17 -3.48 -0.43 0.00 2.57 0.00 0.00 54.79 53.62 1ggj n ASP 677 Cb 0.26 -0.66 -0.06 0.00 1.84 0.00 0.00 41.12 42.51 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 -2.00 6.40 0.21 -2.24 3.84 -0.65 -4.95 114.94 115.55 1ggj s ASN 678 Ca 0.47 -0.15 -0.10 0.00 0.21 0.00 0.00 52.86 53.30 1ggj s ASN 678 Cb 0.41 -2.37 0.31 0.00 -0.55 0.00 0.00 41.25 39.04 1ggj s ASN 678 CO 0.06 -0.89 1.69 1.23 -2.79 0.00 0.00 177.10 176.39 1ggj h GLY 679 N 10.06 0.76 0.63 1.21 0.00 -1.90 -2.14 103.07 111.70 1ggj h GLY 679 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.13 1ggj h GLY 679 CO 0.95 -0.15 0.09 -0.55 0.00 0.00 0.00 176.54 176.88 1ggj h ASP 680 N 0.22 0.06 -0.56 0.19 3.45 -1.95 0.33 116.42 118.16 1ggj h ASP 680 Ca 0.33 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.83 1ggj h ASP 680 Cb 0.51 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.31 1ggj h ASP 680 CO -0.45 0.07 0.34 0.00 -1.57 0.00 0.00 179.24 177.63 1ggj h ALA 681 N 1.24 0.71 0.04 3.45 0.00 -1.76 0.41 119.26 123.36 1ggj h ALA 681 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ggj h ALA 681 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ggj h ALA 681 CO -0.19 0.19 -0.02 -0.91 0.00 0.00 0.00 179.25 178.32 1ggj h ASN 682 N 0.75 -0.05 -0.62 0.00 2.35 -1.00 -2.81 115.58 114.20 1ggj h ASN 682 Ca 0.20 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1ggj h ASN 682 Cb -0.02 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1ggj h ASN 682 CO -0.04 0.06 0.41 0.22 -1.65 0.00 0.00 177.43 176.44 1ggj h TYR 683 N -0.15 0.79 -0.47 1.19 5.03 0.04 -1.59 116.97 121.80 1ggj h TYR 683 Ca -0.01 0.02 0.09 0.00 2.58 0.00 0.00 58.73 61.42 1ggj h TYR 683 Cb 0.14 -0.27 -0.08 0.00 1.55 0.00 0.00 36.73 38.07 1ggj h TYR 683 CO -0.04 0.50 -0.05 -0.92 -1.32 0.00 0.00 178.16 176.32 1ggj h TYR 684 N 0.85 -0.12 -0.30 -3.82 5.03 0.06 0.83 116.97 119.50 1ggj h TYR 684 Ca 0.23 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.47 1ggj h TYR 684 Cb -0.10 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 1ggj h TYR 684 CO 0.00 -0.15 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.35 1ggj h LEU 685 N 0.06 0.61 -0.39 2.82 3.38 -1.16 -2.05 115.31 118.58 1ggj h LEU 685 Ca 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ggj h LEU 685 Cb 0.35 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1ggj h LEU 685 CO -0.43 0.86 0.09 0.24 0.09 0.00 0.00 178.44 179.28 1ggj h MET 686 N 0.52 0.64 -0.19 1.13 2.86 -0.28 -0.21 114.93 119.39 1ggj h MET 686 Ca 0.07 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1ggj h MET 686 Cb 0.74 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1ggj h MET 686 CO 0.06 0.67 0.08 1.49 1.06 0.00 0.00 176.91 180.27 1ggj h GLU 687 N 0.49 0.29 -0.29 1.72 4.81 -0.87 -1.16 114.58 119.57 1ggj h GLU 687 Ca 0.12 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 1ggj h GLU 687 Cb 0.33 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1ggj h GLU 687 CO 0.00 0.34 -0.19 0.00 -0.73 0.00 0.00 179.01 178.43 1ggj h ALA 688 N 0.93 1.13 -0.47 2.92 0.00 -1.33 -1.77 119.26 120.68 1ggj h ALA 688 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1ggj h ALA 688 Cb 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ggj h ALA 688 CO -0.01 0.54 0.12 -0.92 0.00 0.00 0.00 179.25 178.99 1ggj h TYR 689 N 0.47 0.78 -0.37 0.00 3.20 -0.89 -1.76 116.97 118.40 1ggj h TYR 689 Ca 0.08 -0.09 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1ggj h TYR 689 Cb 0.60 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1ggj h TYR 689 CO 0.02 0.71 -0.10 -0.22 -1.64 0.00 0.00 178.16 176.93 1ggj h LYS 690 N 0.63 0.64 -0.79 1.82 3.64 -0.94 -2.82 116.57 118.75 1ggj h LYS 690 Ca 0.15 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1ggj h LYS 690 Cb 0.31 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1ggj h LYS 690 CO -0.00 0.72 0.05 0.72 -2.27 0.00 0.00 179.45 178.67 1ggj n HIS 691 N -4.19 1.24 -2.36 1.91 8.25 -0.69 -4.92 115.22 114.47 1ggj n HIS 691 Ca 0.01 -0.51 -0.19 0.00 -0.26 0.00 0.00 57.72 56.77 1ggj n HIS 691 Cb 0.33 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 0.26 -1.78 -4.83 2.41 4.77 -1.06 -4.88 117.00 111.88 1ggj n LEU 692 Ca 0.18 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.85 1ggj n LEU 692 Cb 0.83 -2.80 -0.06 0.00 -2.33 0.00 0.00 43.42 39.07 1ggj n LEU 692 CO 0.20 -0.25 0.31 -0.54 -1.33 0.00 0.00 177.39 175.78 1ggj s LYS 693 N -4.96 4.11 0.34 3.23 1.02 -0.68 0.46 119.74 123.26 1ggj s LYS 693 Ca 0.00 0.66 -0.29 0.00 0.02 0.00 0.00 55.97 56.36 1ggj s LYS 693 Cb 0.00 -2.94 -0.12 0.00 -0.52 0.00 0.00 37.83 34.25 1ggj s LYS 693 CO 0.00 0.46 1.43 -2.30 -0.92 0.00 0.00 175.35 174.03 1ggj n PRO 694 N 0.87 2.44 -4.47 -1.68 -0.02 -1.26 -4.58 135.00 126.29 1ggj n PRO 694 Ca -0.05 0.86 -0.22 0.00 -2.02 0.00 0.00 63.50 62.07 1ggj n PRO 694 Cb 0.51 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 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 -0.80 0.93 -0.09 4.25 1.01 -0.98 -1.74 121.20 123.76 1ggj s ILE 695 Ca 0.57 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1ggj s ILE 695 Cb -0.53 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1ggj s ILE 695 CO 0.59 0.29 -0.14 0.00 0.00 0.00 0.00 174.94 175.68 1ggj s ALA 696 N 0.38 1.56 -0.17 9.38 0.00 0.45 -0.05 121.76 133.31 1ggj s ALA 696 Ca -0.07 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ggj s ALA 696 Cb -0.12 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1ggj s ALA 696 CO 0.01 -0.02 -0.17 -0.51 0.00 0.00 0.00 175.76 175.08 1ggj s LEU 697 N 0.89 2.02 -0.14 0.00 1.43 0.85 -0.50 118.68 123.24 1ggj s LEU 697 Ca -0.09 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1ggj s LEU 697 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1ggj s LEU 697 CO 0.00 -0.04 0.03 0.00 0.23 0.00 0.00 176.35 176.57 1ggj s ALA 698 N 1.37 3.32 0.00 4.21 0.00 -0.26 -3.13 121.76 127.26 1ggj s ALA 698 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1ggj s ALA 698 Cb -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1ggj s ALA 698 CO -0.11 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1ggj n GLY 699 N 2.89 3.63 0.00 0.00 0.00 -0.14 -1.76 105.19 109.81 1ggj n GLY 699 Ca -0.18 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 5.39 0.00 0.13 1.61 8.00 -1.26 -2.07 116.55 128.34 1ggj n ASP 700 Ca 0.00 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.74 1ggj n ASP 700 Cb 0.00 -0.29 0.49 0.00 -0.02 0.00 0.00 41.12 41.29 1ggj n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ggj n ALA 701 N -1.29 1.66 0.26 2.24 0.00 -0.72 -1.34 120.51 121.32 1ggj n ALA 701 Ca 0.06 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1ggj n ALA 701 Cb 0.10 -1.39 0.57 0.00 0.00 0.00 0.00 19.45 18.74 1ggj n ALA 701 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ggj h ARG 702 N 0.00 0.00 -0.34 0.00 3.08 -1.62 -1.69 114.38 113.81 1ggj h ARG 702 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ggj h ARG 702 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1ggj h ARG 702 CO 0.00 0.00 0.22 0.87 -1.07 0.00 0.00 179.97 179.99 1ggj h LYS 703 N 0.00 0.45 0.00 0.04 1.57 -1.46 -1.09 116.57 116.07 1ggj h LYS 703 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ggj h LYS 703 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ggj h LYS 703 CO 0.00 0.30 0.00 0.74 -0.57 0.00 0.00 179.45 179.92 1ggj h PHE 704 N 0.46 0.00 -0.95 -1.35 -1.00 -1.53 -2.93 116.94 109.64 1ggj h PHE 704 Ca 0.12 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.06 1ggj h PHE 704 Cb -0.05 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.43 1ggj h PHE 704 CO 0.00 0.00 0.60 0.87 -1.61 0.00 0.00 178.31 178.17 1ggj h LYS 705 N 0.00 0.73 0.00 1.51 1.57 -1.38 0.14 116.57 119.14 1ggj h LYS 705 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1ggj h LYS 705 Cb 0.07 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ggj h LYS 705 CO 0.00 0.49 -0.14 0.00 -0.57 0.00 0.00 179.45 179.23 1ggj h ALA 706 N 1.59 1.12 -0.40 3.86 0.00 -1.73 0.13 119.26 123.83 1ggj h ALA 706 Ca 0.49 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 1ggj h ALA 706 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ggj h ALA 706 CO -0.26 0.17 -0.02 1.15 0.00 0.00 0.00 179.25 180.30 1ggj h THR 707 N 0.00 1.26 -0.64 0.00 2.02 -0.92 -3.17 112.91 111.47 1ggj h THR 707 Ca -0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1ggj h THR 707 Cb 0.50 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1ggj h THR 707 CO 0.02 0.35 0.00 2.30 0.37 0.00 0.00 175.52 178.56 1ggj n ILE 708 N -4.43 0.92 -3.19 3.11 -5.35 -0.86 -4.94 119.36 104.63 1ggj n ILE 708 Ca -0.01 -0.87 -0.18 0.00 -0.27 0.00 0.00 62.75 61.42 1ggj n ILE 708 Cb 0.30 0.39 0.05 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.34 -5.37 -3.19 6.28 4.76 0.21 -4.99 118.16 117.20 1ggj n LYS 709 Ca 0.22 0.63 -0.39 0.00 -2.87 0.00 0.00 58.31 55.90 1ggj n LYS 709 Cb 0.56 -5.03 -0.05 0.00 -1.84 0.00 0.00 35.03 28.67 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 -3.18 5.12 1.05 -0.18 -1.09 0.10 -5.00 121.20 118.02 1ggj s ILE 710 Ca 0.38 1.16 -0.11 0.00 -2.23 0.00 0.00 60.65 59.85 1ggj s ILE 710 Cb -0.17 -3.91 0.22 0.00 -1.58 0.00 0.00 42.46 37.02 1ggj s ILE 710 CO 0.48 0.27 1.08 0.00 -1.23 0.00 0.00 174.94 175.54 1ggj s ALA 711 N 0.88 0.38 0.17 9.38 0.00 -1.26 -4.63 121.76 126.68 1ggj s ALA 711 Ca 0.30 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 1ggj s ALA 711 Cb -0.16 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.67 1ggj s ALA 711 CO 0.13 -3.40 1.79 -0.44 0.00 0.00 0.00 175.76 173.84 1ggj h ASP 712 N -2.32 0.69 0.45 0.00 3.45 -2.00 -2.55 116.42 114.15 1ggj h ASP 712 Ca -0.53 -0.08 0.00 0.00 0.43 0.00 0.00 57.03 56.85 1ggj h ASP 712 Cb 1.30 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1ggj h ASP 712 CO 0.45 0.58 0.00 1.67 -1.57 0.00 0.00 179.24 180.37 1ggj n GLN 713 N -4.62 0.07 0.00 3.56 0.00 -1.26 -4.99 117.38 110.15 1ggj n GLN 713 Ca 0.03 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.41 1ggj n GLN 713 Cb 0.08 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 28.65 1ggj n GLN 713 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ggj n GLY 714 N -0.34 -2.48 3.62 1.69 0.00 -0.96 -5.07 105.19 101.64 1ggj n GLY 714 Ca 0.02 -2.01 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 1ggj n GLY 714 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggj s GLU 715 N -0.31 0.70 0.15 1.61 -1.05 -1.26 -4.61 118.70 113.93 1ggj s GLU 715 Ca 0.00 0.69 -0.34 0.00 -0.15 0.00 0.00 54.97 55.17 1ggj s GLU 715 Cb 0.00 0.34 -0.16 0.00 -0.44 0.00 0.00 34.13 33.87 1ggj s GLU 715 CO 0.00 -0.11 1.29 0.39 0.95 0.00 0.00 175.26 177.78 1ggj n GLU 716 N 2.16 1.35 0.00 -4.83 1.02 -1.26 -1.95 120.64 117.14 1ggj n GLU 716 Ca -0.14 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1ggj n GLU 716 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1ggj n GLU 716 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ggj n GLY 717 N 2.34 1.17 3.16 0.62 0.00 -1.26 -4.89 105.19 106.33 1ggj n GLY 717 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.18 2.45 -0.08 -0.61 -1.09 -0.82 -2.33 121.20 116.54 1ggj s ILE 718 Ca 0.00 -0.98 -0.19 0.00 -2.23 0.00 0.00 60.65 57.25 1ggj s ILE 718 Cb 0.00 -2.15 -0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1ggj s ILE 718 CO 0.00 0.38 0.52 -0.69 -1.23 0.00 0.00 174.94 173.92 1ggj s VAL 719 N 1.30 5.10 -0.14 2.92 1.01 0.92 -4.64 120.40 126.88 1ggj s VAL 719 Ca 0.02 1.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 1ggj s VAL 719 Cb -0.15 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1ggj s VAL 719 CO -0.09 0.36 0.36 -1.83 0.00 0.00 0.00 175.10 173.91 1ggj s GLU 720 N 0.32 0.41 0.16 2.72 -1.05 -1.26 -0.11 118.70 119.89 1ggj s GLU 720 Ca 0.28 0.54 -0.24 0.00 -0.15 0.00 0.00 54.97 55.40 1ggj s GLU 720 Cb -0.16 0.16 0.07 0.00 -0.44 0.00 0.00 34.13 33.76 1ggj s GLU 720 CO 0.13 -0.07 1.01 0.00 0.95 0.00 0.00 175.26 177.28 1ggj s ALA 721 N 0.39 -1.65 0.33 -0.84 0.00 -1.18 -5.02 121.76 113.79 1ggj s ALA 721 Ca -0.02 -0.04 0.19 0.00 0.00 0.00 0.00 51.96 52.09 1ggj s ALA 721 Cb -0.04 0.67 0.94 0.00 0.00 0.00 0.00 23.12 24.69 1ggj s ALA 721 CO -0.02 -1.05 1.88 -0.44 0.00 0.00 0.00 175.76 176.13 1ggj h ASP 722 N 2.00 0.00 -5.27 0.00 3.32 -1.91 -0.36 116.42 114.21 1ggj h ASP 722 Ca -0.26 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1ggj h ASP 722 Cb 1.22 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 1ggj h ASP 722 CO 0.30 0.29 -0.04 -0.94 -1.72 0.00 0.00 179.24 177.13 1ggj s SER 723 N -6.58 0.25 -0.07 6.45 1.04 -1.26 -2.71 113.70 110.81 1ggj s SER 723 Ca -0.02 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.28 1ggj s SER 723 Cb 0.13 0.68 0.12 0.00 0.10 0.00 0.00 66.02 67.05 1ggj s SER 723 CO 0.67 -1.32 1.06 0.00 0.98 0.00 0.00 173.24 174.63 1ggj n ALA 724 N -0.48 2.97 -2.65 5.32 0.00 -1.26 -4.81 120.51 119.61 1ggj n ALA 724 Ca -0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 52.90 1ggj n ALA 724 Cb 0.61 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1ggj n ALA 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ggj n ASP 725 N 0.19 0.42 0.00 0.00 5.75 -1.26 -4.59 116.55 117.06 1ggj n ASP 725 Ca 0.09 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.55 1ggj n ASP 725 Cb 0.64 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1ggj n ASP 725 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggj n GLY 726 N 3.20 3.20 0.57 6.12 0.00 -1.26 -1.87 105.19 115.15 1ggj n GLY 726 Ca 0.04 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.26 1ggj n GLY 726 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ggj n SER 727 N 4.29 1.71 -0.15 1.61 3.41 -1.26 -4.39 113.62 118.84 1ggj n SER 727 Ca 0.00 -1.72 -0.03 0.00 -0.26 0.00 0.00 58.87 56.87 1ggj n SER 727 Cb 0.00 -0.11 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 1ggj n SER 727 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ggj h PHE 728 N 2.26 0.01 0.01 7.33 3.04 -1.66 -0.93 116.94 127.01 1ggj h PHE 728 Ca 0.00 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.79 1ggj h PHE 728 Cb 0.50 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1ggj h PHE 728 CO 0.11 -0.08 -0.91 0.52 -2.02 0.00 0.00 178.31 175.93 1ggj h MET 729 N 0.14 0.04 -0.19 1.11 2.86 -1.80 -2.63 114.93 114.46 1ggj h MET 729 Ca 0.24 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1ggj h MET 729 Cb 0.34 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ggj h MET 729 CO -0.37 0.92 -0.46 -0.44 1.06 0.00 0.00 176.91 177.61 1ggj h ASP 730 N 0.02 0.51 -0.27 1.22 3.32 -1.76 0.16 116.42 119.62 1ggj h ASP 730 Ca -0.02 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1ggj h ASP 730 Cb 1.59 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.99 1ggj h ASP 730 CO 0.12 0.90 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.97 1ggj h GLU 731 N 0.39 0.65 -0.72 3.56 5.08 -1.17 -1.71 114.58 120.65 1ggj h GLU 731 Ca 0.03 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1ggj h GLU 731 Cb 0.95 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1ggj h GLU 731 CO 0.08 0.93 0.29 1.25 -1.00 0.00 0.00 179.01 180.56 1ggj h LEU 732 N 0.38 1.00 -1.03 1.33 7.12 -1.37 -2.44 115.31 120.29 1ggj h LEU 732 Ca 0.05 -0.17 -0.09 0.00 0.13 0.00 0.00 57.88 57.79 1ggj h LEU 732 Cb 0.80 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 1ggj h LEU 732 CO 0.06 0.90 -0.44 -0.07 -0.13 0.00 0.00 178.44 178.76 1ggj h LEU 733 N 1.04 0.00 -0.60 2.25 3.38 -0.89 -1.72 115.31 118.78 1ggj h LEU 733 Ca 0.24 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 1ggj h LEU 733 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1ggj h LEU 733 CO -0.02 0.44 -0.27 0.74 0.09 0.00 0.00 178.44 179.43 1ggj h THR 734 N 0.00 1.27 -0.57 0.22 2.02 -0.93 -1.49 112.91 113.44 1ggj h THR 734 Ca -0.00 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.70 1ggj h THR 734 Cb 0.86 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1ggj h THR 734 CO 0.06 0.47 0.09 -0.07 0.37 0.00 0.00 175.52 176.44 1ggj h LEU 735 N 0.71 0.91 -1.17 2.58 3.38 -1.15 -2.50 115.31 118.07 1ggj h LEU 735 Ca 0.09 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1ggj h LEU 735 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1ggj h LEU 735 CO 0.07 0.94 -0.01 0.24 0.09 0.00 0.00 178.44 179.77 1ggj h MET 736 N 0.84 0.57 -0.34 1.13 2.86 -1.11 -2.24 114.93 116.65 1ggj h MET 736 Ca 0.17 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1ggj h MET 736 Cb 0.41 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1ggj h MET 736 CO 0.01 0.60 0.02 0.00 1.06 0.00 0.00 176.91 178.59 1ggj h ALA 737 N 1.46 1.40 -0.13 6.32 0.00 -0.85 -1.28 119.26 126.17 1ggj h ALA 737 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ggj h ALA 737 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ggj h ALA 737 CO 0.01 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1ggj n ALA 738 N -2.48 2.53 0.00 0.00 0.00 -0.88 -4.01 120.51 115.68 1ggj n ALA 738 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ggj n ALA 738 Cb 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.04 0.00 -4.11 0.00 -0.00 -0.48 -4.77 115.22 105.82 1ggj n HIS 739 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.76 1ggj n HIS 739 Cb 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.11 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 0.66 -0.95 1.57 1.81 -1.26 -4.71 118.95 116.07 1ggj s ARG 740 Ca 0.00 -1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 52.67 1ggj s ARG 740 Cb 0.00 0.01 0.16 0.00 -0.45 0.00 0.00 34.95 34.67 1ggj s ARG 740 CO 0.00 -0.06 1.09 0.08 -0.68 0.00 0.00 175.30 175.73 1ggj s VAL 741 N -3.40 4.98 0.06 3.52 1.01 0.17 -4.86 120.40 121.88 1ggj s VAL 741 Ca 0.05 -1.94 0.33 0.00 0.00 0.00 0.00 61.98 60.43 1ggj s VAL 741 Cb 0.04 -4.73 0.37 0.00 0.00 0.00 0.00 36.38 32.06 1ggj s VAL 741 CO -0.06 -1.42 1.97 -0.50 0.00 0.00 0.00 175.10 175.09 1ggj h TRP 742 N 8.36 0.00 0.00 5.22 4.06 -1.93 -2.93 115.95 128.73 1ggj h TRP 742 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 1ggj h TRP 742 Cb 1.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1ggj h TRP 742 CO 1.12 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 176.66 1ggj h SER 743 N 0.00 0.00 0.67 -3.49 4.64 -1.96 -3.13 113.55 110.28 1ggj h SER 743 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ggj h SER 743 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ggj h SER 743 CO 0.00 0.00 -0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 1ggj n ARG 744 N -2.91 0.33 -0.04 4.77 0.63 -1.11 -4.30 116.66 114.04 1ggj n ARG 744 Ca 0.02 -0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.85 1ggj n ARG 744 Cb 0.36 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.74 1ggj n ARG 744 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ggj h ILE 745 N 0.01 0.29 -0.74 5.15 2.04 -1.72 0.37 117.51 122.90 1ggj h ILE 745 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1ggj h ILE 745 Cb 0.34 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 1ggj h ILE 745 CO 0.00 0.00 0.49 1.55 0.00 0.00 0.00 178.15 180.19 1ggj h PRO 746 N -0.33 0.47 0.00 2.37 0.13 -1.86 -1.01 132.00 131.77 1ggj h PRO 746 Ca 0.12 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1ggj h PRO 746 Cb 0.52 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1ggj h PRO 746 CO -0.41 0.31 -0.50 0.87 -0.23 0.00 0.00 178.00 178.04 1ggj h LYS 747 N 0.49 0.00 0.00 0.86 6.56 -1.22 -3.20 116.57 120.06 1ggj h LYS 747 Ca 0.36 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.92 1ggj h LYS 747 Cb 0.72 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1ggj h LYS 747 CO -0.12 0.50 -0.16 -0.84 -2.06 0.00 0.00 179.45 176.76 1ggj h ILE 748 N 0.00 0.32 -0.96 1.86 3.07 -0.41 -3.36 117.51 118.04 1ggj h ILE 748 Ca -0.00 -1.20 0.13 0.00 1.55 0.00 0.00 64.86 65.34 1ggj h ILE 748 Cb 1.03 1.94 -0.14 0.00 -0.27 0.00 0.00 36.82 39.38 1ggj h ILE 748 CO 0.06 0.16 -0.45 0.44 -1.05 0.00 0.00 178.15 177.32 1ggj h ASP 749 N 0.00 -1.64 0.00 2.16 3.45 -1.53 -3.33 116.42 115.53 1ggj h ASP 749 Ca -0.00 0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.77 1ggj h ASP 749 Cb 0.93 0.80 0.00 0.00 -0.56 0.00 0.00 39.33 40.50 1ggj h ASP 749 CO 0.02 -0.28 0.00 2.29 -1.57 0.00 0.00 179.24 179.70 1ggj n LYS 750 N -5.41 0.00 0.00 3.56 -0.00 -1.26 -4.97 118.16 110.09 1ggj n LYS 750 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 1ggj n LYS 750 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.39 1ggj n LYS 750 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1ggj n ILE 751 N 0.00 0.00 -2.65 0.58 0.00 -1.25 -4.77 119.36 111.27 1ggj n ILE 751 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 62.75 62.33 1ggj n ILE 751 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 39.64 39.62 1ggj n ILE 751 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1ggj s PRO 752 N 0.00 3.77 0.00 9.51 0.04 -1.26 -5.07 135.00 141.99 1ggj s PRO 752 Ca 0.00 -1.63 0.00 0.00 0.04 0.00 0.00 61.00 59.41 1ggj s PRO 752 Cb 0.00 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1ggj s PRO 752 CO 0.00 -2.13 0.00 0.00 0.04 0.00 0.00 177.00 174.91