#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g54 h PRO 45 N 0.00 0.08 0.00 3.52 0.11 -2.04 -3.00 132.00 130.68 2g54 h PRO 45 Ca 0.00 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2g54 h PRO 45 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2g54 h PRO 45 CO 0.00 0.99 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 2g54 n ALA 46 N -2.41 2.21 -3.73 -0.75 0.00 -1.26 -4.50 120.51 110.07 2g54 n ALA 46 Ca -0.02 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2g54 n ALA 46 Cb 0.89 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 2g54 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2g54 s ILE 47 N -2.75 3.49 0.10 0.00 1.01 -1.13 0.15 121.20 122.07 2g54 s ILE 47 Ca 0.19 -2.07 -0.23 0.00 0.00 0.00 0.00 60.65 58.53 2g54 s ILE 47 Cb 0.16 -3.37 -0.12 0.00 0.01 0.00 0.00 42.46 39.14 2g54 s ILE 47 CO 0.41 -0.72 1.72 0.50 0.00 0.00 0.00 174.94 176.85 2g54 h LYS 48 N 8.05 -0.06 -3.85 2.79 3.64 -1.26 -3.45 116.57 122.43 2g54 h LYS 48 Ca -0.14 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 2g54 h LYS 48 Cb 1.05 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.75 2g54 h LYS 48 CO 0.73 -0.04 -0.31 0.50 -2.27 0.00 0.00 179.45 178.06 2g54 s ARG 49 N -6.18 1.13 -0.01 1.90 3.52 -0.88 -5.00 118.95 113.44 2g54 s ARG 49 Ca -0.13 -1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 54.17 2g54 s ARG 49 Cb 0.07 0.38 0.03 0.00 -1.56 0.00 0.00 34.95 33.87 2g54 s ARG 49 CO 0.66 -0.41 0.35 -1.50 -0.81 0.00 0.00 175.30 173.59 2g54 s ILE 50 N -3.95 0.05 -0.13 4.11 2.07 -1.26 -1.50 121.20 120.59 2g54 s ILE 50 Ca 0.15 -0.45 -0.04 0.00 -1.41 0.00 0.00 60.65 58.90 2g54 s ILE 50 Cb 0.03 -0.70 0.05 0.00 0.13 0.00 0.00 42.46 41.98 2g54 s ILE 50 CO -0.01 -0.25 0.10 -0.83 -1.91 0.00 0.00 174.94 172.04 2g54 s GLY 51 N -1.43 0.26 -0.19 1.50 0.00 -0.07 -4.98 107.32 102.41 2g54 s GLY 51 Ca -0.12 -0.05 0.11 0.00 0.00 0.00 0.00 44.72 44.66 2g54 s GLY 51 CO 0.04 1.68 1.50 0.70 0.00 0.00 0.00 173.10 177.01 2g54 n ASN 52 N 5.29 4.80 -3.25 1.64 3.02 -1.26 -2.13 115.26 123.37 2g54 n ASN 52 Ca -0.06 -2.75 -0.26 0.00 -0.03 0.00 0.00 54.58 51.49 2g54 n ASN 52 Cb 0.49 -0.65 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 2g54 n ASN 52 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2g54 n HIS 53 N 0.50 2.72 -2.80 3.10 8.25 -1.26 -4.99 115.22 120.74 2g54 n HIS 53 Ca 0.22 -3.99 -0.43 0.00 -0.26 0.00 0.00 57.72 53.27 2g54 n HIS 53 Cb 1.01 -0.49 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2g54 n HIS 53 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2g54 s ILE 54 N -2.68 4.39 -0.10 1.59 -1.09 -1.26 -4.74 121.20 117.31 2g54 s ILE 54 Ca 0.41 0.56 -0.33 0.00 -2.23 0.00 0.00 60.65 59.07 2g54 s ILE 54 Cb 0.20 -4.51 -0.10 0.00 -1.58 0.00 0.00 42.46 36.46 2g54 s ILE 54 CO -0.06 -1.00 1.97 0.41 -1.23 0.00 0.00 174.94 175.02 2g54 n THR 55 N 6.35 0.57 -4.46 2.92 -1.04 -1.04 -4.95 114.28 112.63 2g54 n THR 55 Ca 0.05 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 2g54 n THR 55 Cb 0.48 -2.02 -0.10 0.00 -1.82 0.00 0.00 70.33 66.87 2g54 n THR 55 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2g54 s LYS 56 N 4.60 1.70 0.34 -2.82 -2.85 -1.26 -4.34 119.74 115.09 2g54 s LYS 56 Ca 0.94 -1.96 -0.28 0.00 -1.00 0.00 0.00 55.97 53.67 2g54 s LYS 56 Cb -0.62 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.27 2g54 s LYS 56 CO 0.48 -0.25 1.19 -1.12 0.10 0.00 0.00 175.35 175.75 2g54 s SER 57 N -3.50 6.85 0.62 0.03 0.01 -1.26 -4.90 113.70 111.55 2g54 s SER 57 Ca 0.34 2.44 0.37 0.00 1.31 0.00 0.00 55.95 60.41 2g54 s SER 57 Cb 0.07 -2.63 2.05 0.00 0.21 0.00 0.00 66.02 65.73 2g54 s SER 57 CO 0.15 -0.45 2.27 1.55 0.41 0.00 0.00 173.24 177.17 2g54 h PRO 58 N 3.28 0.00 -0.00 12.44 0.13 -1.91 -0.44 132.00 145.50 2g54 h PRO 58 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2g54 h PRO 58 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2g54 h PRO 58 CO 0.65 0.02 -0.27 0.39 -0.23 0.00 0.00 178.00 178.56 2g54 n GLU 59 N -3.37 0.21 -2.82 0.86 -0.58 -1.26 -4.80 120.64 108.87 2g54 n GLU 59 Ca -0.03 -0.09 -0.43 0.00 -0.42 0.00 0.00 57.16 56.20 2g54 n GLU 59 Cb 0.12 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.45 2g54 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2g54 s ASP 60 N -2.85 6.65 0.00 1.62 3.68 -0.18 -4.91 116.67 120.68 2g54 s ASP 60 Ca 0.17 0.51 0.27 0.00 2.13 0.00 0.00 52.55 55.63 2g54 s ASP 60 Cb 0.19 -2.46 0.93 0.00 -1.45 0.00 0.00 42.92 40.13 2g54 s ASP 60 CO 0.59 -0.86 1.70 0.29 0.13 0.00 0.00 175.17 177.02 2g54 n LYS 61 N 6.77 0.12 -2.18 4.34 4.01 -1.26 -4.86 118.16 125.10 2g54 n LYS 61 Ca 0.07 -0.04 -0.36 0.00 -0.51 0.00 0.00 58.31 57.47 2g54 n LYS 61 Cb 0.48 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.51 2g54 n LYS 61 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2g54 s ARG 62 N -2.91 3.29 -0.18 1.97 0.52 -1.26 -5.02 118.95 115.35 2g54 s ARG 62 Ca 0.15 1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 56.97 2g54 s ARG 62 Cb 0.19 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.58 2g54 s ARG 62 CO 0.59 -0.92 0.13 -1.21 0.02 0.00 0.00 175.30 173.90 2g54 s GLU 63 N -3.23 4.02 0.08 3.54 0.41 -0.75 -4.94 118.70 117.82 2g54 s GLU 63 Ca 0.73 -0.22 0.09 0.00 -0.41 0.00 0.00 54.97 55.16 2g54 s GLU 63 Cb -0.26 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.70 2g54 s GLU 63 CO 0.30 0.39 -0.23 0.71 -0.49 0.00 0.00 175.26 175.94 2g54 s TYR 64 N 0.09 2.00 -0.15 1.61 1.51 -1.26 -0.30 117.35 120.85 2g54 s TYR 64 Ca 0.09 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 2g54 s TYR 64 Cb -0.11 -1.14 0.06 0.00 -0.11 0.00 0.00 41.96 40.65 2g54 s TYR 64 CO -0.01 0.18 0.34 0.50 -1.11 0.00 0.00 175.55 175.45 2g54 s ARG 65 N -1.57 0.30 0.04 -0.62 3.52 -0.71 -4.68 118.95 115.22 2g54 s ARG 65 Ca 0.09 0.72 0.02 0.00 -0.13 0.00 0.00 55.73 56.44 2g54 s ARG 65 Cb -0.10 -0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 2g54 s ARG 65 CO 0.03 -0.18 0.04 0.20 -0.81 0.00 0.00 175.30 174.58 2g54 s GLY 66 N 1.59 1.96 0.16 8.12 0.00 -0.90 -0.51 107.32 117.73 2g54 s GLY 66 Ca -0.08 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.46 2g54 s GLY 66 CO -0.11 -0.91 0.52 0.48 0.00 0.00 0.00 173.10 173.07 2g54 s LEU 67 N -2.00 -0.09 -0.24 0.66 0.05 -0.63 -0.89 118.68 115.54 2g54 s LEU 67 Ca 0.24 -0.22 -0.00 0.00 0.05 0.00 0.00 54.13 54.21 2g54 s LEU 67 Cb -0.12 2.24 0.07 0.00 -2.05 0.00 0.00 46.19 46.33 2g54 s LEU 67 CO 0.16 -0.95 -0.01 -0.70 -0.55 0.00 0.00 176.35 174.30 2g54 s GLU 68 N -3.80 1.28 1.01 1.48 2.12 -0.56 0.41 118.70 120.65 2g54 s GLU 68 Ca 0.03 -0.94 -0.11 0.00 0.36 0.00 0.00 54.97 54.31 2g54 s GLU 68 Cb -0.00 -2.45 0.20 0.00 0.26 0.00 0.00 34.13 32.14 2g54 s GLU 68 CO -0.10 -0.68 1.09 -0.51 -0.54 0.00 0.00 175.26 174.51 2g54 s LEU 69 N 1.49 1.94 0.53 2.70 1.43 -0.68 -1.04 118.68 125.06 2g54 s LEU 69 Ca -0.02 1.81 0.20 0.00 -1.03 0.00 0.00 54.13 55.10 2g54 s LEU 69 Cb -0.18 -4.01 1.37 0.00 0.03 0.00 0.00 46.19 43.40 2g54 s LEU 69 CO -0.09 -3.48 2.12 0.00 0.23 0.00 0.00 176.35 175.13 2g54 h ALA 70 N -2.13 2.08 0.00 4.21 0.00 -0.57 -0.69 119.26 122.17 2g54 h ALA 70 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2g54 h ALA 70 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2g54 h ALA 70 CO 0.47 -0.19 0.00 0.27 0.00 0.00 0.00 179.25 179.80 2g54 n ASN 71 N -4.39 0.00 0.00 0.00 0.23 -1.26 -4.90 115.26 104.94 2g54 n ASN 71 Ca 0.01 -0.77 0.00 0.00 -0.53 0.00 0.00 54.58 53.29 2g54 n ASN 71 Cb 0.24 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.86 2g54 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2g54 n GLY 72 N 1.05 0.52 3.66 4.83 0.00 -0.26 -3.32 105.19 111.67 2g54 n GLY 72 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2g54 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g54 s ILE 73 N -2.23 3.66 -0.03 -0.61 1.01 -1.17 -4.64 121.20 117.20 2g54 s ILE 73 Ca 0.00 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.23 2g54 s ILE 73 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 2g54 s ILE 73 CO 0.00 -0.06 0.85 -0.54 0.00 0.00 0.00 174.94 175.19 2g54 s LYS 74 N 3.72 4.50 0.11 2.79 1.02 -1.06 -1.68 119.74 129.14 2g54 s LYS 74 Ca 0.70 1.17 0.07 0.00 0.02 0.00 0.00 55.97 57.93 2g54 s LYS 74 Cb -0.32 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 2g54 s LYS 74 CO 0.27 0.01 -0.17 0.08 -0.92 0.00 0.00 175.35 174.62 2g54 s VAL 75 N 0.90 1.50 -0.10 3.17 1.01 0.17 -0.69 120.40 126.34 2g54 s VAL 75 Ca 0.45 -1.59 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 2g54 s VAL 75 Cb -0.19 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.74 2g54 s VAL 75 CO 0.23 -0.22 0.03 -0.22 0.00 0.00 0.00 175.10 174.92 2g54 s LEU 76 N -2.12 0.58 -0.13 3.92 1.98 -0.59 -1.61 118.68 120.72 2g54 s LEU 76 Ca 0.06 -0.26 -0.07 0.00 -2.89 0.00 0.00 54.13 50.98 2g54 s LEU 76 Cb -0.08 -0.39 -0.04 0.00 0.66 0.00 0.00 46.19 46.34 2g54 s LEU 76 CO 0.04 -0.25 0.11 -0.76 -1.89 0.00 0.00 176.35 173.60 2g54 s LEU 77 N 2.01 4.18 -0.11 -0.68 1.43 0.33 -1.96 118.68 123.89 2g54 s LEU 77 Ca 0.03 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2g54 s LEU 77 Cb -0.14 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2g54 s LEU 77 CO -0.06 0.35 -0.09 -0.63 0.23 0.00 0.00 176.35 176.15 2g54 s ILE 78 N -0.66 1.09 -0.21 -0.59 1.01 0.48 -1.74 121.20 120.59 2g54 s ILE 78 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 2g54 s ILE 78 Cb -0.12 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 2g54 s ILE 78 CO 0.02 0.37 0.04 -0.55 0.00 0.00 0.00 174.94 174.83 2g54 s SER 79 N 1.47 5.21 -0.37 3.58 0.15 0.59 -2.10 113.70 122.21 2g54 s SER 79 Ca 0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2g54 s SER 79 Cb -0.13 -1.90 0.14 0.00 -1.71 0.00 0.00 66.02 62.41 2g54 s SER 79 CO -0.06 0.07 0.21 -0.62 1.20 0.00 0.00 173.24 174.05 2g54 s ASP 80 N 0.97 3.23 0.14 5.45 -1.08 0.43 -1.81 116.67 124.00 2g54 s ASP 80 Ca 0.03 -2.27 0.08 0.00 -0.52 0.00 0.00 52.55 49.87 2g54 s ASP 80 Cb -0.14 -0.61 0.43 0.00 -1.46 0.00 0.00 42.92 41.14 2g54 s ASP 80 CO 0.02 -0.30 1.18 -2.65 0.52 0.00 0.00 175.17 173.94 2g54 n PRO 81 N 3.96 0.05 -0.01 4.34 -0.02 -1.26 -1.73 135.00 140.34 2g54 n PRO 81 Ca 0.10 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2g54 n PRO 81 Cb 0.37 -1.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 2g54 n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2g54 n THR 82 N -1.75 0.00 -1.65 3.45 -2.24 -1.26 -4.93 114.28 105.90 2g54 n THR 82 Ca -0.01 -0.42 -0.47 0.00 -2.27 0.00 0.00 64.05 60.88 2g54 n THR 82 Cb 0.11 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 2g54 n THR 82 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2g54 n THR 83 N -2.13 0.09 0.10 4.28 5.66 -0.70 -4.88 114.28 116.70 2g54 n THR 83 Ca -0.03 -0.02 -0.00 0.00 -3.05 0.00 0.00 64.05 60.94 2g54 n THR 83 Cb 0.49 -1.38 -0.03 0.00 -1.55 0.00 0.00 70.33 67.86 2g54 n THR 83 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2g54 h ASP 84 N 5.48 0.00 -3.90 1.09 3.32 -1.93 -3.44 116.42 117.03 2g54 h ASP 84 Ca -0.45 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 2g54 h ASP 84 Cb 1.27 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.51 2g54 h ASP 84 CO 0.85 0.63 -0.85 -0.54 -1.72 0.00 0.00 179.24 177.61 2g54 s LYS 85 N -2.89 1.96 0.38 3.56 1.02 -1.26 -2.09 119.74 120.42 2g54 s LYS 85 Ca 0.02 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.37 2g54 s LYS 85 Cb 0.08 -1.69 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2g54 s LYS 85 CO 0.77 0.27 0.56 -1.12 -0.92 0.00 0.00 175.35 174.91 2g54 s SER 86 N 0.02 5.96 0.11 2.83 0.01 0.18 -4.78 113.70 118.02 2g54 s SER 86 Ca -0.04 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 2g54 s SER 86 Cb -0.12 -1.48 0.03 0.00 0.21 0.00 0.00 66.02 64.66 2g54 s SER 86 CO 0.03 -0.52 0.37 -0.44 0.41 0.00 0.00 173.24 173.09 2g54 s SER 87 N -4.17 -0.19 0.03 2.44 0.01 0.40 -0.64 113.70 111.59 2g54 s SER 87 Ca 0.45 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.23 2g54 s SER 87 Cb -0.10 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.61 2g54 s SER 87 CO 0.34 -0.81 0.35 0.00 0.41 0.00 0.00 173.24 173.53 2g54 s ALA 88 N -3.62 -0.83 -0.08 1.44 0.00 -0.79 -0.29 121.76 117.59 2g54 s ALA 88 Ca 0.02 0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 2g54 s ALA 88 Cb 0.02 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.46 2g54 s ALA 88 CO -0.11 -0.39 0.53 0.00 0.00 0.00 0.00 175.76 175.79 2g54 s ALA 89 N -2.23 -1.34 -0.04 0.00 0.00 -0.78 -1.43 121.76 115.94 2g54 s ALA 89 Ca -0.07 1.07 0.01 0.00 0.00 0.00 0.00 51.96 52.97 2g54 s ALA 89 Cb -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2g54 s ALA 89 CO -0.01 -0.30 -0.04 -1.17 0.00 0.00 0.00 175.76 174.23 2g54 s LEU 90 N -0.81 1.39 -0.19 0.00 0.20 -0.27 -1.64 118.68 117.36 2g54 s LEU 90 Ca -0.09 -0.12 -0.00 0.00 0.69 0.00 0.00 54.13 54.62 2g54 s LEU 90 Cb -0.03 -0.41 0.01 0.00 -0.43 0.00 0.00 46.19 45.33 2g54 s LEU 90 CO 0.06 -0.04 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.29 2g54 s ASP 91 N 0.80 3.42 -0.18 3.68 2.15 -0.01 -1.45 116.67 125.09 2g54 s ASP 91 Ca -0.10 -0.58 -0.16 0.00 0.43 0.00 0.00 52.55 52.13 2g54 s ASP 91 Cb -0.13 -1.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.91 2g54 s ASP 91 CO 0.00 0.00 0.41 -0.69 -0.17 0.00 0.00 175.17 174.73 2g54 s VAL 92 N 1.28 5.20 -0.02 1.11 1.01 -0.17 -1.92 120.40 126.90 2g54 s VAL 92 Ca 0.04 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.72 2g54 s VAL 92 Cb -0.14 -3.74 -0.25 0.00 0.00 0.00 0.00 36.38 32.25 2g54 s VAL 92 CO -0.10 0.28 3.37 1.57 0.00 0.00 0.00 175.10 180.23 2g54 n HIS 93 N 4.20 0.03 -3.87 5.22 -0.00 0.65 -1.52 115.22 119.93 2g54 n HIS 93 Ca -0.08 -1.40 -0.12 0.00 0.46 0.00 0.00 57.72 56.57 2g54 n HIS 93 Cb 0.51 -1.52 -0.14 0.00 -0.12 0.00 0.00 29.99 28.73 2g54 n HIS 93 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 2g54 s ILE 94 N 1.18 -0.00 0.00 3.57 1.10 -0.60 -4.75 121.20 121.70 2g54 s ILE 94 Ca 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 2g54 s ILE 94 Cb 0.29 -0.01 0.00 0.00 0.15 0.00 0.00 42.46 42.89 2g54 s ILE 94 CO -0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 2g54 n GLY 95 N 3.08 4.50 0.30 1.50 0.00 -1.20 -2.75 105.19 110.63 2g54 n GLY 95 Ca -0.12 -1.27 0.16 0.00 0.00 0.00 0.00 46.02 44.79 2g54 n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2g54 h SER 96 N 0.00 0.00 0.26 1.61 4.64 -1.10 -0.50 113.55 118.46 2g54 h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g54 h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2g54 h SER 96 CO 0.00 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 2g54 h LEU 97 N 0.00 0.00 -2.68 5.97 4.07 -1.45 -0.12 115.31 121.10 2g54 h LEU 97 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2g54 h LEU 97 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2g54 h LEU 97 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 2g54 n SER 98 N -2.69 3.65 -4.77 -0.43 7.64 -0.20 -4.90 113.62 111.92 2g54 n SER 98 Ca -0.01 -1.99 -0.40 0.00 1.01 0.00 0.00 58.87 57.48 2g54 n SER 98 Cb 0.12 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2g54 n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2g54 s ASP 99 N -1.08 6.35 0.24 6.43 -0.00 -0.06 -4.93 116.67 123.62 2g54 s ASP 99 Ca 0.42 2.77 -0.30 0.00 -0.00 0.00 0.00 52.55 55.44 2g54 s ASP 99 Cb 0.22 -2.65 -0.10 0.00 -0.00 0.00 0.00 42.92 40.40 2g54 s ASP 99 CO 0.30 -0.84 1.43 -2.16 -0.00 0.00 0.00 175.17 173.90 2g54 s PRO 100 N -2.15 4.28 0.46 8.23 0.04 -1.26 -4.86 135.00 139.74 2g54 s PRO 100 Ca 0.55 2.27 0.31 0.00 0.04 0.00 0.00 61.00 64.17 2g54 s PRO 100 Cb -0.41 -3.12 1.41 0.00 0.04 0.00 0.00 34.50 32.42 2g54 s PRO 100 CO 0.53 -0.41 1.68 -1.35 0.04 0.00 0.00 177.00 177.49 2g54 h PRO 101 N 5.17 0.13 -0.16 0.56 0.11 -1.98 0.13 132.00 135.95 2g54 h PRO 101 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2g54 h PRO 101 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2g54 h PRO 101 CO 0.78 0.08 0.00 0.27 -0.21 0.00 0.00 178.00 178.93 2g54 n ASN 102 N -4.51 2.06 -3.24 -2.05 2.04 -1.26 -4.50 115.26 103.79 2g54 n ASN 102 Ca 0.34 -1.74 -0.25 0.00 -0.44 0.00 0.00 54.58 52.49 2g54 n ASN 102 Cb 1.35 -0.10 -0.08 0.00 -2.53 0.00 0.00 39.78 38.43 2g54 n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2g54 n ILE 103 N 0.58 -0.85 -1.72 1.53 5.41 0.44 -4.86 119.36 119.89 2g54 n ILE 103 Ca 0.17 -3.81 -0.42 0.00 1.00 0.00 0.00 62.75 59.69 2g54 n ILE 103 Cb 0.41 -1.83 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 2g54 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2g54 n ALA 104 N 1.83 2.61 -0.25 -1.39 0.00 -1.25 -2.45 120.51 119.61 2g54 n ALA 104 Ca 0.24 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2g54 n ALA 104 Cb 0.52 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2g54 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g54 n GLY 105 N 3.33 0.80 0.30 0.00 0.00 -1.20 -4.30 105.19 104.12 2g54 n GLY 105 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2g54 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2g54 h LEU 106 N 0.00 0.40 -0.43 0.99 5.85 -1.77 0.88 115.31 121.23 2g54 h LEU 106 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2g54 h LEU 106 Cb 0.00 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2g54 h LEU 106 CO 0.00 0.15 0.28 -1.28 -0.34 0.00 0.00 178.44 177.24 2g54 h SER 107 N 0.52 0.50 -0.46 1.25 0.87 -1.88 -0.30 113.55 114.04 2g54 h SER 107 Ca 0.45 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.93 2g54 h SER 107 Cb 0.69 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2g54 h SER 107 CO -0.40 0.37 0.06 -0.74 -0.53 0.00 0.00 176.83 175.60 2g54 h HIS 108 N 0.57 0.82 -0.82 2.24 -0.00 -1.49 -2.64 115.15 113.83 2g54 h HIS 108 Ca 0.16 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2g54 h HIS 108 Cb -0.05 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 2g54 h HIS 108 CO -0.04 0.78 0.50 0.35 -0.00 0.00 0.00 177.93 179.52 2g54 h PHE 109 N 0.63 1.07 -0.41 5.26 3.57 -0.57 -2.22 116.94 124.27 2g54 h PHE 109 Ca 0.14 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2g54 h PHE 109 Cb 0.41 -0.35 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2g54 h PHE 109 CO 0.03 0.71 0.14 0.00 -2.23 0.00 0.00 178.31 176.96 2g54 h GLN 111 N 0.30 0.22 -0.36 0.00 4.15 -1.06 -1.17 115.11 117.19 2g54 h GLN 111 Ca 0.19 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 2g54 h GLN 111 Cb 0.18 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2g54 h GLN 111 CO -0.20 0.15 0.15 0.45 -1.93 0.00 0.00 178.83 177.44 2g54 h HIS 112 N 0.23 0.56 -0.16 3.99 3.86 -0.95 -3.17 115.15 119.51 2g54 h HIS 112 Ca 0.28 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.40 2g54 h HIS 112 Cb 0.39 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 2g54 h HIS 112 CO -0.25 0.51 -0.10 0.52 0.86 0.00 0.00 177.93 179.47 2g54 h MET 113 N 0.44 0.25 0.00 2.45 2.86 -0.40 -3.00 114.93 117.53 2g54 h MET 113 Ca 0.12 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2g54 h MET 113 Cb 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2g54 h MET 113 CO -0.01 0.37 0.02 -0.07 1.06 0.00 0.00 176.91 178.27 2g54 h LEU 114 N 0.24 0.00 0.00 1.22 3.38 -1.21 -0.67 115.31 118.27 2g54 h LEU 114 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2g54 h LEU 114 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2g54 h LEU 114 CO 0.02 0.00 -0.48 0.49 0.09 0.00 0.00 178.44 178.55 2g54 n PHE 115 N -2.80 0.48 0.79 1.13 3.01 -1.13 -4.25 117.46 114.69 2g54 n PHE 115 Ca -0.02 0.14 0.03 0.00 1.01 0.00 0.00 57.45 58.61 2g54 n PHE 115 Cb 0.07 -0.62 0.12 0.00 -0.01 0.00 0.00 39.48 39.05 2g54 n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2g54 n LEU 116 N -1.99 1.95 0.00 4.37 4.32 -0.26 -4.67 117.00 120.73 2g54 n LEU 116 Ca 0.04 -0.98 0.00 0.00 -0.02 0.00 0.00 56.01 55.05 2g54 n LEU 116 Cb 0.41 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2g54 n LEU 116 CO 0.35 0.35 0.00 0.61 -1.22 0.00 0.00 177.39 177.48 2g54 n GLY 117 N 0.55 4.16 3.27 -0.72 0.00 -1.26 -3.97 105.19 107.22 2g54 n GLY 117 Ca 0.09 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 2g54 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g54 s THR 118 N -1.53 0.56 0.14 2.61 -4.23 -0.76 -0.86 115.64 111.57 2g54 s THR 118 Ca 0.00 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.31 2g54 s THR 118 Cb 0.00 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.46 2g54 s THR 118 CO 0.00 -0.23 1.67 0.11 -0.54 0.00 0.00 174.62 175.63 2g54 h LYS 119 N 2.55 -0.11 -0.30 3.99 6.56 -1.13 -1.63 116.57 126.50 2g54 h LYS 119 Ca -0.37 0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.18 2g54 h LYS 119 Cb 1.23 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.90 2g54 h LYS 119 CO 0.61 -0.08 -0.03 -0.22 -2.06 0.00 0.00 179.45 177.68 2g54 h LYS 120 N -0.12 0.46 -2.70 3.15 3.64 -1.96 -3.35 116.57 115.69 2g54 h LYS 120 Ca 0.11 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.79 2g54 h LYS 120 Cb 0.29 -0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 31.64 2g54 h LYS 120 CO -0.27 0.51 -0.80 0.71 -2.27 0.00 0.00 179.45 177.33 2g54 s TYR 121 N -4.92 2.00 0.22 1.91 1.51 -0.82 -5.01 117.35 112.25 2g54 s TYR 121 Ca -0.07 -2.63 -0.08 0.00 -1.01 0.00 0.00 57.07 53.27 2g54 s TYR 121 Cb 0.15 -1.64 0.30 0.00 -0.11 0.00 0.00 41.96 40.67 2g54 s TYR 121 CO 0.76 -0.73 1.76 -1.35 -1.11 0.00 0.00 175.55 174.87 2g54 h PRO 122 N 5.80 0.47 -6.12 -1.71 0.11 -1.47 -2.01 132.00 127.07 2g54 h PRO 122 Ca 0.18 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 65.49 2g54 h PRO 122 Cb 0.87 -0.11 0.03 0.00 0.11 0.00 0.00 31.00 31.90 2g54 h PRO 122 CO 0.49 0.31 0.60 1.63 -0.21 0.00 0.00 178.00 180.82 2g54 n LYS 123 N -4.95 0.69 0.17 1.05 5.02 -1.26 -4.54 118.16 114.34 2g54 n LYS 123 Ca 0.10 0.25 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 2g54 n LYS 123 Cb 0.28 -1.85 0.60 0.00 -0.02 0.00 0.00 35.03 34.04 2g54 n LYS 123 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 2g54 h GLU 124 N 5.34 0.00 0.00 1.97 4.11 -1.86 -2.26 114.58 121.88 2g54 h GLU 124 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2g54 h GLU 124 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2g54 h GLU 124 CO 0.87 0.00 -0.05 0.27 0.07 0.00 0.00 179.01 180.17 2g54 n ASN 125 N -2.34 1.66 -0.27 3.06 2.04 -1.26 -4.23 115.26 113.92 2g54 n ASN 125 Ca -0.00 -2.22 -0.00 0.00 -0.44 0.00 0.00 54.58 51.92 2g54 n ASN 125 Cb 0.11 -0.16 0.12 0.00 -2.53 0.00 0.00 39.78 37.32 2g54 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2g54 h GLU 126 N 0.00 0.79 0.61 -3.83 4.57 -1.73 0.19 114.58 115.18 2g54 h GLU 126 Ca 0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 2g54 h GLU 126 Cb 0.81 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2g54 h GLU 126 CO 0.00 0.52 -0.29 -0.92 -1.18 0.00 0.00 179.01 177.14 2g54 h TYR 127 N 0.81 -0.76 -0.02 0.92 5.03 -1.86 -1.64 116.97 119.45 2g54 h TYR 127 Ca 0.34 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.58 2g54 h TYR 127 Cb 0.21 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 2g54 h TYR 127 CO -0.06 -0.42 -0.22 0.66 -1.32 0.00 0.00 178.16 176.80 2g54 h SER 128 N -1.01 0.03 -0.13 -2.11 4.64 -1.85 -2.66 113.55 110.47 2g54 h SER 128 Ca -0.08 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.16 2g54 h SER 128 Cb 0.68 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2g54 h SER 128 CO 0.14 0.26 -0.19 -0.61 -0.87 0.00 0.00 176.83 175.56 2g54 h GLN 129 N 0.03 0.36 -0.13 4.77 4.15 -0.59 -1.89 115.11 121.81 2g54 h GLN 129 Ca 0.00 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 59.25 2g54 h GLN 129 Cb 0.42 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2g54 h GLN 129 CO 0.03 0.79 -0.12 0.35 -1.93 0.00 0.00 178.83 177.95 2g54 h PHE 130 N -0.05 -0.31 -0.39 3.99 3.57 -1.13 -0.92 116.94 121.70 2g54 h PHE 130 Ca 0.01 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2g54 h PHE 130 Cb 0.76 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2g54 h PHE 130 CO 0.10 -0.19 0.21 -0.07 -2.23 0.00 0.00 178.31 176.13 2g54 h LEU 131 N -0.15 0.33 -1.13 0.59 3.38 -1.50 -2.45 115.31 114.38 2g54 h LEU 131 Ca 0.09 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2g54 h LEU 131 Cb 0.28 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2g54 h LEU 131 CO -0.22 0.24 0.59 -1.28 0.09 0.00 0.00 178.44 177.86 2g54 h SER 132 N 0.43 0.94 0.37 -0.43 0.87 -0.90 0.88 113.55 115.72 2g54 h SER 132 Ca 0.16 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2g54 h SER 132 Cb 0.04 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2g54 h SER 132 CO -0.10 0.63 0.00 -0.62 -0.53 0.00 0.00 176.83 176.21 2g54 n GLU 133 N -4.46 0.54 -1.96 2.24 1.02 -0.39 -3.44 120.64 114.18 2g54 n GLU 133 Ca 0.13 0.02 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 2g54 n GLU 133 Cb 0.15 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2g54 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2g54 n HIS 134 N -1.20 1.34 -3.29 -0.32 8.25 -0.26 -4.55 115.22 115.20 2g54 n HIS 134 Ca 0.15 -1.79 -0.23 0.00 -0.26 0.00 0.00 57.72 55.59 2g54 n HIS 134 Cb 0.18 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.04 2g54 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2g54 n ALA 135 N -0.54 -1.05 -2.01 -1.41 0.00 -1.00 -1.93 120.51 112.57 2g54 n ALA 135 Ca 0.21 0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 2g54 n ALA 135 Cb 0.90 -3.11 0.04 0.00 0.00 0.00 0.00 19.45 17.27 2g54 n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2g54 s GLY 136 N -2.73 1.85 -0.05 0.00 0.00 0.29 -4.20 107.32 102.48 2g54 s GLY 136 Ca 0.38 -1.76 -0.20 0.00 0.00 0.00 0.00 44.72 43.15 2g54 s GLY 136 CO 0.47 -1.44 0.44 -0.45 0.00 0.00 0.00 173.10 172.12 2g54 s SER 137 N -4.49 -0.37 0.04 1.64 0.15 -0.37 -4.41 113.70 105.88 2g54 s SER 137 Ca 0.58 0.40 -0.19 0.00 0.70 0.00 0.00 55.95 57.44 2g54 s SER 137 Cb -0.08 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2g54 s SER 137 CO 0.37 -0.45 0.44 -0.55 1.20 0.00 0.00 173.24 174.25 2g54 s SER 138 N -1.04 -0.33 0.24 5.45 0.15 -1.26 -0.79 113.70 116.11 2g54 s SER 138 Ca -0.11 0.06 -0.18 0.00 0.70 0.00 0.00 55.95 56.43 2g54 s SER 138 Cb -0.03 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2g54 s SER 138 CO 0.05 -0.67 0.88 -3.20 1.20 0.00 0.00 173.24 171.50 2g54 n ASN 139 N 0.51 -1.78 -3.53 5.45 2.85 -0.94 -5.02 115.26 112.81 2g54 n ASN 139 Ca -0.19 -2.05 -0.08 0.00 -0.11 0.00 0.00 54.58 52.15 2g54 n ASN 139 Cb 0.60 2.92 -0.03 0.00 1.24 0.00 0.00 39.78 44.51 2g54 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2g54 s ALA 140 N -1.97 -1.88 0.07 5.20 0.00 -1.26 -2.09 121.76 119.82 2g54 s ALA 140 Ca 0.19 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2g54 s ALA 140 Cb -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2g54 s ALA 140 CO 0.07 -0.61 0.06 -0.59 0.00 0.00 0.00 175.76 174.70 2g54 s PHE 141 N -2.65 0.41 -0.11 0.00 -0.71 -0.75 -5.01 117.98 109.16 2g54 s PHE 141 Ca 0.05 -0.91 0.00 0.00 -1.04 0.00 0.00 56.93 55.03 2g54 s PHE 141 Cb -0.01 -0.27 0.02 0.00 -1.21 0.00 0.00 43.02 41.55 2g54 s PHE 141 CO -0.06 -0.46 -0.10 0.99 -1.34 0.00 0.00 175.22 174.25 2g54 s THR 142 N -3.91 1.18 0.00 -4.49 2.01 -1.26 -1.59 115.64 107.58 2g54 s THR 142 Ca 0.08 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2g54 s THR 142 Cb 0.07 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.43 2g54 s THR 142 CO -0.09 0.39 0.00 -1.54 -0.69 0.00 0.00 174.62 172.69 2g54 n SER 143 N 4.67 1.27 -0.25 3.53 3.41 0.39 -4.92 113.62 121.71 2g54 n SER 143 Ca -0.16 -0.88 -0.05 0.00 -0.26 0.00 0.00 58.87 57.53 2g54 n SER 143 Cb 0.50 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.51 2g54 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2g54 h GLY 144 N 0.00 1.02 -0.05 5.00 0.00 -1.93 -1.90 103.07 105.21 2g54 h GLY 144 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2g54 h GLY 144 CO 0.00 0.40 -0.02 1.18 0.00 0.00 0.00 176.54 178.10 2g54 n GLU 145 N -4.55 2.10 -3.88 4.80 1.02 -1.26 -1.36 120.64 117.51 2g54 n GLU 145 Ca 0.06 -1.63 -0.11 0.00 -0.02 0.00 0.00 57.16 55.46 2g54 n GLU 145 Cb 0.05 -1.05 -0.10 0.00 -0.02 0.00 0.00 31.44 30.32 2g54 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2g54 s HIS 146 N -1.31 0.06 -0.19 -0.32 3.76 -1.20 -1.56 115.29 114.53 2g54 s HIS 146 Ca 0.08 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 54.79 2g54 s HIS 146 Cb 0.07 -0.06 0.06 0.00 1.11 0.00 0.00 32.58 33.75 2g54 s HIS 146 CO 0.01 -0.27 0.03 0.99 -0.85 0.00 0.00 174.74 174.65 2g54 s THR 147 N -1.37 0.55 -0.19 1.30 2.01 -0.58 -0.46 115.64 116.91 2g54 s THR 147 Ca -0.15 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 2g54 s THR 147 Cb -0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2g54 s THR 147 CO 0.01 -0.19 -0.05 0.21 -0.69 0.00 0.00 174.62 173.91 2g54 s ASN 148 N 1.85 4.43 -0.05 3.53 3.84 -0.62 -1.00 114.94 126.93 2g54 s ASN 148 Ca -0.01 -0.29 0.05 0.00 0.21 0.00 0.00 52.86 52.82 2g54 s ASN 148 Cb -0.17 -1.74 -0.02 0.00 -0.55 0.00 0.00 41.25 38.77 2g54 s ASN 148 CO -0.08 0.07 -0.19 -0.31 -2.79 0.00 0.00 177.10 173.80 2g54 s TYR 149 N 0.94 2.56 0.11 0.43 1.51 -0.53 -1.82 117.35 120.56 2g54 s TYR 149 Ca -0.00 -0.37 -0.16 0.00 -1.01 0.00 0.00 57.07 55.53 2g54 s TYR 149 Cb -0.15 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.13 2g54 s TYR 149 CO 0.01 0.02 0.39 1.52 -1.11 0.00 0.00 175.55 176.38 2g54 s TYR 150 N -0.52 -0.19 0.15 2.71 -0.85 -0.89 -1.11 117.35 116.66 2g54 s TYR 150 Ca 0.07 -0.11 -0.23 0.00 -0.52 0.00 0.00 57.07 56.27 2g54 s TYR 150 Cb -0.11 0.23 0.07 0.00 0.38 0.00 0.00 41.96 42.53 2g54 s TYR 150 CO 0.01 -0.68 0.65 -0.59 -1.52 0.00 0.00 175.55 173.42 2g54 s PHE 151 N -3.67 -0.47 0.14 -3.49 -0.12 -0.52 -2.20 117.98 107.64 2g54 s PHE 151 Ca 0.02 0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.17 2g54 s PHE 151 Cb 0.02 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2g54 s PHE 151 CO -0.11 -0.86 -0.05 0.16 -0.05 0.00 0.00 175.22 174.31 2g54 s ASP 152 N -2.74 1.33 0.05 1.98 1.47 0.03 -1.88 116.67 116.91 2g54 s ASP 152 Ca 0.03 -1.07 -0.28 0.00 1.18 0.00 0.00 52.55 52.41 2g54 s ASP 152 Cb -0.02 0.08 0.09 0.00 -0.34 0.00 0.00 42.92 42.73 2g54 s ASP 152 CO -0.10 -0.47 0.99 0.54 0.68 0.00 0.00 175.17 176.80 2g54 s VAL 153 N -3.56 0.00 0.13 2.11 0.11 0.19 -1.24 120.40 118.14 2g54 s VAL 153 Ca 0.17 -0.31 -0.35 0.00 -2.93 0.00 0.00 61.98 58.57 2g54 s VAL 153 Cb 0.05 -1.53 -0.16 0.00 -1.53 0.00 0.00 36.38 33.21 2g54 s VAL 153 CO -0.00 0.00 1.35 -0.24 -3.33 0.00 0.00 175.10 172.87 2g54 n SER 154 N -0.36 1.92 0.09 3.54 2.88 -0.81 0.51 113.62 121.39 2g54 n SER 154 Ca -0.07 1.12 0.04 0.00 -1.33 0.00 0.00 58.87 58.63 2g54 n SER 154 Cb 0.61 -1.26 0.23 0.00 -0.75 0.00 0.00 64.21 63.05 2g54 n SER 154 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2g54 n HIS 155 N 2.40 0.29 0.20 0.66 1.44 -0.89 -0.99 115.22 118.34 2g54 n HIS 155 Ca 0.17 0.15 0.12 0.00 -2.01 0.00 0.00 57.72 56.15 2g54 n HIS 155 Cb 0.23 -0.58 0.09 0.00 0.12 0.00 0.00 29.99 29.85 2g54 n HIS 155 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2g54 h GLU 156 N 0.00 0.00 -0.56 -1.40 5.08 -1.87 -3.37 114.58 112.47 2g54 h GLU 156 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2g54 h GLU 156 Cb 0.41 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.42 2g54 h GLU 156 CO 0.00 0.00 -0.29 0.72 -1.00 0.00 0.00 179.01 178.44 2g54 n HIS 157 N -2.75 1.90 -0.09 4.33 8.25 -0.16 -4.76 115.22 121.94 2g54 n HIS 157 Ca 0.02 -2.04 -0.10 0.00 -0.26 0.00 0.00 57.72 55.34 2g54 n HIS 157 Cb 0.53 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 2g54 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2g54 h LEU 158 N 1.60 0.40 -0.01 2.41 6.46 -1.73 -2.37 115.31 122.07 2g54 h LEU 158 Ca 0.31 -0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 2g54 h LEU 158 Cb 1.42 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 2g54 h LEU 158 CO 0.66 0.45 0.01 -0.08 -0.62 0.00 0.00 178.44 178.85 2g54 h GLU 159 N 0.32 0.02 -0.62 1.25 4.81 -1.93 0.12 114.58 118.56 2g54 h GLU 159 Ca 0.10 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2g54 h GLU 159 Cb 0.17 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2g54 h GLU 159 CO -0.01 0.03 0.34 0.78 -0.73 0.00 0.00 179.01 179.42 2g54 h GLY 160 N 0.00 0.89 0.88 1.92 0.00 -1.91 0.77 103.07 105.62 2g54 h GLY 160 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2g54 h GLY 160 CO -0.00 0.16 0.03 0.00 0.00 0.00 0.00 176.54 176.73 2g54 h ALA 161 N 1.31 0.40 -0.63 3.60 0.00 -1.22 -2.85 119.26 119.87 2g54 h ALA 161 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2g54 h ALA 161 Cb 0.14 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2g54 h ALA 161 CO -0.16 0.11 0.37 -0.07 0.00 0.00 0.00 179.25 179.49 2g54 h LEU 162 N 0.31 0.77 0.24 0.00 3.38 -0.24 -0.43 115.31 119.36 2g54 h LEU 162 Ca 0.09 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2g54 h LEU 162 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2g54 h LEU 162 CO 0.01 0.62 -0.34 -0.78 0.09 0.00 0.00 178.44 178.05 2g54 h ASP 163 N 0.86 -0.94 -0.75 -0.43 -0.00 -0.82 0.43 116.42 114.77 2g54 h ASP 163 Ca 0.23 0.09 0.05 0.00 -0.00 0.00 0.00 57.03 57.40 2g54 h ASP 163 Cb 0.00 0.33 -0.04 0.00 -0.00 0.00 0.00 39.33 39.62 2g54 h ASP 163 CO -0.04 -0.45 0.49 0.03 -0.00 0.00 0.00 179.24 179.27 2g54 h ARG 164 N -0.64 0.82 -0.27 0.28 3.08 -1.34 -2.49 114.38 113.82 2g54 h ARG 164 Ca 0.00 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 2g54 h ARG 164 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2g54 h ARG 164 CO -0.12 0.54 -0.17 0.35 -1.07 0.00 0.00 179.97 179.50 2g54 h PHE 165 N 0.85 0.70 -0.05 3.04 3.04 -0.29 -3.14 116.94 121.08 2g54 h PHE 165 Ca 0.31 -0.18 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 2g54 h PHE 165 Cb 0.16 -0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 2g54 h PHE 165 CO -0.00 0.86 0.01 0.00 -2.02 0.00 0.00 178.31 177.17 2g54 h ALA 166 N 0.72 1.93 0.00 2.41 0.00 0.27 -1.96 119.26 122.64 2g54 h ALA 166 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2g54 h ALA 166 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2g54 h ALA 166 CO 0.05 0.06 -0.05 1.96 0.00 0.00 0.00 179.25 181.26 2g54 h GLN 167 N 0.07 0.00 -0.59 0.00 1.08 -1.44 -1.79 115.11 112.43 2g54 h GLN 167 Ca 0.02 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.33 2g54 h GLN 167 Cb 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2g54 h GLN 167 CO -0.00 0.05 0.40 0.74 -0.95 0.00 0.00 178.83 179.07 2g54 h PHE 168 N 0.00 0.37 -0.53 2.96 -1.00 -1.48 -0.41 116.94 116.84 2g54 h PHE 168 Ca -0.00 0.01 -0.19 0.00 2.81 0.00 0.00 57.97 60.60 2g54 h PHE 168 Cb 0.13 -0.12 -0.11 0.00 3.61 0.00 0.00 35.95 39.46 2g54 h PHE 168 CO 0.00 0.17 0.14 1.19 -1.61 0.00 0.00 178.31 178.20 2g54 n PHE 169 N -4.46 1.73 0.00 -0.55 3.72 -0.68 -4.31 117.46 112.91 2g54 n PHE 169 Ca 0.10 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.17 2g54 n PHE 169 Cb 0.42 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 2g54 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2g54 n LEU 170 N -0.68 0.15 -2.94 4.37 4.77 -0.43 -4.80 117.00 117.43 2g54 n LEU 170 Ca 0.36 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 2g54 n LEU 170 Cb 1.19 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.30 2g54 n LEU 170 CO 0.31 -0.26 -0.06 0.00 -1.33 0.00 0.00 177.39 176.05 2g54 s PRO 172 N -2.04 4.21 0.02 0.00 0.04 -1.24 -0.52 135.00 135.46 2g54 s PRO 172 Ca 0.33 2.40 -0.21 0.00 0.04 0.00 0.00 61.00 63.56 2g54 s PRO 172 Cb 0.38 -3.10 -0.17 0.00 0.04 0.00 0.00 34.50 31.64 2g54 s PRO 172 CO -0.04 -0.55 1.25 -0.07 0.04 0.00 0.00 177.00 177.63 2g54 h LEU 173 N 5.66 0.36 -1.05 -3.56 4.07 -1.30 -3.46 115.31 116.03 2g54 h LEU 173 Ca -0.45 -0.57 -0.44 0.00 0.08 0.00 0.00 57.88 56.50 2g54 h LEU 173 Cb 1.21 -0.10 0.04 0.00 1.08 0.00 0.00 40.66 42.89 2g54 h LEU 173 CO 0.84 0.86 -0.74 0.49 -1.08 0.00 0.00 178.44 178.81 2g54 n PHE 174 N -4.51 -2.45 -1.56 1.13 3.01 -1.26 -4.83 117.46 106.98 2g54 n PHE 174 Ca -0.07 0.94 -0.52 0.00 1.01 0.00 0.00 57.45 58.80 2g54 n PHE 174 Cb 0.42 -4.40 -0.06 0.00 -0.01 0.00 0.00 39.48 35.43 2g54 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2g54 n ASP 175 N -2.93 1.17 -0.21 4.37 2.03 -1.26 -4.80 116.55 114.93 2g54 n ASP 175 Ca -0.02 1.13 -0.01 0.00 0.52 0.00 0.00 54.79 56.42 2g54 n ASP 175 Cb 0.56 -1.14 0.10 0.00 -0.72 0.00 0.00 41.12 39.91 2g54 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2g54 h GLU 176 N 3.82 0.50 -0.79 -0.67 4.57 -2.00 -0.69 114.58 119.32 2g54 h GLU 176 Ca -0.46 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 2g54 h GLU 176 Cb 1.36 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.80 2g54 h GLU 176 CO 0.73 0.33 0.33 1.03 -1.18 0.00 0.00 179.01 180.25 2g54 h SER 177 N 0.52 1.08 -0.15 1.04 0.87 -2.01 -2.54 113.55 112.36 2g54 h SER 177 Ca 0.29 -0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 2g54 h SER 177 Cb 0.28 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2g54 h SER 177 CO -0.24 0.95 -0.27 0.00 -0.53 0.00 0.00 176.83 176.74 2g54 h LYS 179 N 0.54 0.03 0.00 0.00 3.64 -0.75 0.14 116.57 120.17 2g54 h LYS 179 Ca 0.07 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2g54 h LYS 179 Cb 0.74 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2g54 h LYS 179 CO 0.06 0.03 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.77 2g54 h ASP 180 N 0.01 0.00 0.00 4.20 3.32 -1.46 -2.50 116.42 119.99 2g54 h ASP 180 Ca 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 2g54 h ASP 180 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2g54 h ASP 180 CO -0.00 0.05 -0.85 0.03 -1.72 0.00 0.00 179.24 176.75 2g54 h ARG 181 N 0.00 0.00 -0.02 3.56 3.08 -1.33 -3.39 114.38 116.29 2g54 h ARG 181 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2g54 h ARG 181 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2g54 h ARG 181 CO 0.01 0.62 0.04 1.49 -1.07 0.00 0.00 179.97 181.05 2g54 h GLU 182 N -1.00 0.00 -0.09 0.04 4.57 -0.71 -1.01 114.58 116.38 2g54 h GLU 182 Ca -0.19 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2g54 h GLU 182 Cb 0.95 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2g54 h GLU 182 CO -0.12 0.00 0.04 -0.24 -1.18 0.00 0.00 179.01 177.52 2g54 h VAL 183 N 0.00 1.03 -0.06 0.32 3.04 -1.63 -0.49 116.25 118.46 2g54 h VAL 183 Ca 0.01 -0.09 -0.10 0.00 -1.01 0.00 0.00 66.70 65.50 2g54 h VAL 183 Cb 0.09 0.92 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 2g54 h VAL 183 CO -0.00 0.04 -0.43 0.78 -1.01 0.00 0.00 177.57 176.95 2g54 h ASN 184 N 0.12 0.15 -0.46 3.17 4.21 -1.40 -1.35 115.58 120.03 2g54 h ASN 184 Ca 0.03 -0.06 -0.12 0.00 1.21 0.00 0.00 56.30 57.36 2g54 h ASN 184 Cb 0.01 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 2g54 h ASN 184 CO -0.00 0.57 -0.18 0.00 -1.29 0.00 0.00 177.43 176.52 2g54 h ALA 185 N 1.44 0.64 -0.39 -0.83 0.00 -1.21 0.14 119.26 119.05 2g54 h ALA 185 Ca 0.01 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2g54 h ALA 185 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2g54 h ALA 185 CO 0.06 0.60 -0.14 0.28 0.00 0.00 0.00 179.25 180.05 2g54 h VAL 186 N 0.77 1.28 -0.41 0.00 2.07 -1.23 -1.13 116.25 117.60 2g54 h VAL 186 Ca 0.11 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 2g54 h VAL 186 Cb 0.75 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2g54 h VAL 186 CO 0.06 0.42 0.21 -0.78 0.02 0.00 0.00 177.57 177.50 2g54 h ASP 187 N 0.60 0.52 -0.10 0.57 3.58 -1.06 -1.25 116.42 119.28 2g54 h ASP 187 Ca 0.09 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 2g54 h ASP 187 Cb 0.68 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2g54 h ASP 187 CO 0.05 0.48 -0.02 -1.28 -2.88 0.00 0.00 179.24 175.59 2g54 h SER 188 N 0.52 0.28 -0.31 2.28 0.87 -0.60 -0.46 113.55 116.14 2g54 h SER 188 Ca 0.14 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2g54 h SER 188 Cb 0.09 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2g54 h SER 188 CO -0.02 0.35 -0.09 -0.08 -0.53 0.00 0.00 176.83 176.46 2g54 h GLU 189 N 0.30 0.61 -0.57 2.24 4.81 -0.53 -2.68 114.58 118.77 2g54 h GLU 189 Ca 0.07 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 2g54 h GLU 189 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2g54 h GLU 189 CO 0.01 0.80 0.02 1.25 -0.73 0.00 0.00 179.01 180.36 2g54 h HIS 190 N 0.38 1.03 -0.93 0.92 2.76 -0.68 -3.05 115.15 115.58 2g54 h HIS 190 Ca 0.08 -0.16 0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2g54 h HIS 190 Cb 0.59 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 2g54 h HIS 190 CO 0.05 0.91 0.61 0.93 -1.30 0.00 0.00 177.93 179.14 2g54 h GLU 191 N 0.89 1.13 0.00 5.26 4.39 -0.91 -0.88 114.58 124.46 2g54 h GLU 191 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2g54 h GLU 191 Cb 0.49 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2g54 h GLU 191 CO 0.02 0.75 0.00 1.57 -1.16 0.00 0.00 179.01 180.19 2g54 h LYS 192 N 1.17 0.00 0.00 2.33 2.10 -1.37 -2.86 116.57 117.93 2g54 h LYS 192 Ca 0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.01 2g54 h LYS 192 Cb 0.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2g54 h LYS 192 CO -0.11 0.00 -1.66 0.09 -2.00 0.00 0.00 179.45 175.76 2g54 n ASN 193 N -2.52 0.30 -0.31 7.07 3.02 -0.43 -4.46 115.26 117.93 2g54 n ASN 193 Ca 0.02 0.12 0.11 0.00 -0.03 0.00 0.00 54.58 54.80 2g54 n ASN 193 Cb 0.27 1.41 0.29 0.00 -0.61 0.00 0.00 39.78 41.14 2g54 n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2g54 h VAL 194 N 0.00 0.60 -0.62 2.41 2.07 -1.05 -0.13 116.25 119.53 2g54 h VAL 194 Ca -0.02 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2g54 h VAL 194 Cb 1.05 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2g54 h VAL 194 CO 0.00 0.10 0.00 0.23 0.02 0.00 0.00 177.57 177.92 2g54 n MET 195 N -4.93 3.13 -3.13 1.57 2.81 -1.26 -4.80 117.12 110.51 2g54 n MET 195 Ca 0.21 -2.51 -0.41 0.00 -1.81 0.00 0.00 57.70 53.18 2g54 n MET 195 Cb 0.57 -1.72 -0.07 0.00 -0.71 0.00 0.00 33.22 31.30 2g54 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2g54 s ASN 196 N -0.90 6.49 0.39 7.83 3.04 -0.06 -4.87 114.94 126.86 2g54 s ASN 196 Ca 0.46 0.43 0.11 0.00 0.04 0.00 0.00 52.86 53.90 2g54 s ASN 196 Cb 0.27 -2.33 0.91 0.00 -1.54 0.00 0.00 41.25 38.56 2g54 s ASN 196 CO 0.25 -0.46 1.93 0.44 -3.04 0.00 0.00 177.10 176.22 2g54 h ASP 197 N 8.17 0.53 -0.29 -4.21 3.45 -1.89 -1.58 116.42 120.59 2g54 h ASP 197 Ca -0.27 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.19 2g54 h ASP 197 Cb 1.12 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 2g54 h ASP 197 CO 0.79 0.30 0.09 0.00 -1.57 0.00 0.00 179.24 178.85 2g54 h ALA 198 N 1.63 0.38 -0.28 3.45 0.00 -1.93 -2.13 119.26 120.39 2g54 h ALA 198 Ca 0.36 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2g54 h ALA 198 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2g54 h ALA 198 CO -0.13 0.02 -0.42 -1.49 0.00 0.00 0.00 179.25 177.23 2g54 h TRP 199 N 0.31 0.81 -0.42 0.00 4.06 -1.71 -1.26 115.95 117.75 2g54 h TRP 199 Ca 0.09 -0.25 0.01 0.00 2.06 0.00 0.00 58.89 60.81 2g54 h TRP 199 Cb 0.25 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 2g54 h TRP 199 CO 0.01 0.98 0.26 0.00 -3.56 0.00 0.00 178.44 176.13 2g54 h ARG 200 N 0.55 0.51 -0.39 0.49 3.08 -1.21 -1.27 114.38 116.14 2g54 h ARG 200 Ca 0.04 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2g54 h ARG 200 Cb 0.96 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2g54 h ARG 200 CO 0.09 0.34 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.07 2g54 h LEU 201 N 0.53 0.76 -0.09 3.04 4.07 -1.31 -0.73 115.31 121.57 2g54 h LEU 201 Ca 0.16 -0.26 0.03 0.00 0.08 0.00 0.00 57.88 57.89 2g54 h LEU 201 Cb -0.03 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 2g54 h LEU 201 CO -0.06 0.94 -0.11 0.15 -1.08 0.00 0.00 178.44 178.28 2g54 h PHE 202 N 0.67 -0.27 -0.10 1.13 3.04 -0.68 -2.10 116.94 118.62 2g54 h PHE 202 Ca 0.10 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.91 2g54 h PHE 202 Cb 0.68 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 2g54 h PHE 202 CO 0.03 -0.17 -0.60 0.37 -2.02 0.00 0.00 178.31 175.92 2g54 h GLN 203 N -0.15 0.33 -0.72 1.11 5.75 -1.14 -3.18 115.11 117.11 2g54 h GLN 203 Ca 0.07 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2g54 h GLN 203 Cb 0.25 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 2g54 h GLN 203 CO -0.18 0.83 0.43 1.25 -2.65 0.00 0.00 178.83 178.51 2g54 h LEU 204 N 0.24 0.67 -0.75 -2.39 6.46 -0.76 0.13 115.31 118.92 2g54 h LEU 204 Ca -0.01 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 2g54 h LEU 204 Cb 1.12 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.90 2g54 h LEU 204 CO 0.10 0.44 0.43 -0.08 -0.62 0.00 0.00 178.44 178.70 2g54 h GLU 205 N 0.80 1.03 -0.41 1.25 4.81 -1.37 -0.45 114.58 120.25 2g54 h GLU 205 Ca 0.31 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2g54 h GLU 205 Cb 0.14 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2g54 h GLU 205 CO -0.16 0.76 0.06 0.87 -0.73 0.00 0.00 179.01 179.81 2g54 h LYS 206 N 1.03 0.67 0.00 1.92 1.57 -1.34 -2.40 116.57 118.03 2g54 h LYS 206 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2g54 h LYS 206 Cb 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2g54 h LYS 206 CO -0.05 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.56 2g54 n ALA 207 N -2.37 2.11 0.79 3.86 0.00 0.37 -2.75 120.51 122.52 2g54 n ALA 207 Ca -0.00 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2g54 n ALA 207 Cb 0.24 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.41 2g54 n ALA 207 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2g54 n THR 208 N -1.29 0.00 -2.82 0.00 5.66 -0.21 -4.95 114.28 110.68 2g54 n THR 208 Ca 0.10 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 2g54 n THR 208 Cb 0.17 1.36 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 2g54 n THR 208 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2g54 n GLY 209 N 1.10 3.76 3.64 1.09 0.00 -1.11 -4.95 105.19 108.71 2g54 n GLY 209 Ca 0.10 -2.09 -0.48 0.00 0.00 0.00 0.00 46.02 43.56 2g54 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g54 n ASN 210 N -0.88 3.28 0.22 1.61 2.85 0.12 -4.84 115.26 117.62 2g54 n ASN 210 Ca 0.00 0.79 0.15 0.00 -0.11 0.00 0.00 54.58 55.42 2g54 n ASN 210 Cb 0.00 -1.39 0.68 0.00 1.24 0.00 0.00 39.78 40.31 2g54 n ASN 210 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2g54 h PRO 211 N 10.48 0.00 0.00 1.20 0.13 -1.90 -2.23 132.00 139.67 2g54 h PRO 211 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2g54 h PRO 211 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2g54 h PRO 211 CO 0.96 0.00 -0.44 1.63 -0.23 0.00 0.00 178.00 179.92 2g54 n LYS 212 N -2.69 0.19 -3.02 0.86 5.02 -1.26 -4.86 118.16 112.40 2g54 n LYS 212 Ca 0.00 0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.97 2g54 n LYS 212 Cb 0.22 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 2g54 n LYS 212 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2g54 s HIS 213 N -3.10 3.77 -0.49 2.13 2.46 -0.84 -4.94 115.29 114.28 2g54 s HIS 213 Ca 0.09 1.47 0.08 0.00 0.47 0.00 0.00 55.06 57.17 2g54 s HIS 213 Cb 0.15 -2.77 0.45 0.00 -0.13 0.00 0.00 32.58 30.27 2g54 s HIS 213 CO 0.68 0.34 1.18 -0.35 -2.47 0.00 0.00 174.74 174.13 2g54 n PRO 214 N 2.50 0.05 0.23 2.88 -0.04 -1.26 -0.96 135.00 138.40 2g54 n PRO 214 Ca -0.04 0.50 0.08 0.00 -0.04 0.00 0.00 63.50 64.00 2g54 n PRO 214 Cb 0.50 -1.79 0.54 0.00 -0.04 0.00 0.00 33.50 32.71 2g54 n PRO 214 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2g54 h PHE 215 N 0.00 0.00 0.00 0.54 3.04 -1.92 -2.54 116.94 116.06 2g54 h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2g54 h PHE 215 Cb 0.22 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.73 2g54 h PHE 215 CO 0.00 0.23 0.00 -1.13 -2.02 0.00 0.00 178.31 175.39 2g54 n SER 216 N -3.91 0.00 -4.74 0.41 3.41 -0.13 -4.72 113.62 103.94 2g54 n SER 216 Ca -0.02 0.49 -0.36 0.00 -0.26 0.00 0.00 58.87 58.72 2g54 n SER 216 Cb 0.31 -0.49 0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2g54 n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2g54 s LYS 217 N -2.99 2.69 -0.46 4.33 1.02 -0.96 -4.62 119.74 118.75 2g54 s LYS 217 Ca 0.11 1.89 -0.19 0.00 0.02 0.00 0.00 55.97 57.81 2g54 s LYS 217 Cb 0.15 -1.88 0.04 0.00 -0.52 0.00 0.00 37.83 35.61 2g54 s LYS 217 CO 0.41 -1.44 0.55 0.12 -0.92 0.00 0.00 175.35 174.07 2g54 s PHE 218 N -1.60 3.10 -0.10 3.18 5.36 -1.26 -4.96 117.98 121.70 2g54 s PHE 218 Ca 0.79 -0.37 0.14 0.00 -0.96 0.00 0.00 56.93 56.52 2g54 s PHE 218 Cb -0.33 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.09 2g54 s PHE 218 CO 0.37 -0.87 1.32 0.78 -1.46 0.00 0.00 175.22 175.37 2g54 h GLY 219 N 9.44 0.00 0.85 13.12 0.00 -1.94 -3.18 103.07 121.36 2g54 h GLY 219 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2g54 h GLY 219 CO 0.88 0.00 -0.20 -0.84 0.00 0.00 0.00 176.54 176.38 2g54 h THR 220 N 0.00 1.32 -1.06 4.70 2.02 -1.91 -3.33 112.91 114.65 2g54 h THR 220 Ca -0.03 -1.36 0.11 0.00 0.77 0.00 0.00 66.41 65.90 2g54 h THR 220 Cb 1.49 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 69.56 2g54 h THR 220 CO 0.07 0.42 -0.33 0.61 0.37 0.00 0.00 175.52 176.66 2g54 n GLY 221 N 0.16 -2.44 1.99 2.16 0.00 -1.26 -4.65 105.19 101.14 2g54 n GLY 221 Ca -0.05 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.56 2g54 n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g54 n ASN 222 N -2.93 -1.13 0.23 1.61 0.23 -1.26 -4.66 115.26 107.35 2g54 n ASN 222 Ca -0.02 -1.90 0.11 0.00 -0.53 0.00 0.00 54.58 52.24 2g54 n ASN 222 Cb 0.21 1.92 0.68 0.00 -2.08 0.00 0.00 39.78 40.51 2g54 n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2g54 h LYS 223 N 0.00 0.00 -0.10 -3.83 3.64 -1.90 -0.05 116.57 114.33 2g54 h LYS 223 Ca -0.17 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 2g54 h LYS 223 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2g54 h LYS 223 CO 0.22 0.00 -0.25 -0.92 -2.27 0.00 0.00 179.45 176.23 2g54 h TYR 224 N 0.00 0.44 0.00 1.91 3.20 -1.95 -1.09 116.97 119.47 2g54 h TYR 224 Ca 0.03 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 2g54 h TYR 224 Cb 0.14 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2g54 h TYR 224 CO 0.00 0.86 -0.28 1.79 -1.64 0.00 0.00 178.16 178.89 2g54 h THR 225 N -0.11 0.40 -0.01 1.81 1.35 -1.79 0.19 112.91 114.75 2g54 h THR 225 Ca -0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2g54 h THR 225 Cb 0.86 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 2g54 h THR 225 CO 0.05 0.23 -0.36 0.18 -0.25 0.00 0.00 175.52 175.37 2g54 n LEU 226 N -3.14 1.82 0.07 3.87 4.32 -0.07 -4.39 117.00 119.49 2g54 n LEU 226 Ca 0.03 -0.78 0.00 0.00 -0.02 0.00 0.00 56.01 55.24 2g54 n LEU 226 Cb 0.63 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2g54 n LEU 226 CO 0.37 0.34 0.00 1.21 -1.22 0.00 0.00 177.39 178.10 2g54 n GLU 227 N -0.01 0.00 0.19 3.23 2.13 -0.55 -4.90 120.64 120.74 2g54 n GLU 227 Ca 0.08 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.74 2g54 n GLU 227 Cb 0.39 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.01 2g54 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2g54 h THR 228 N 0.00 0.00 -0.39 6.31 2.02 -1.24 -0.59 112.91 119.02 2g54 h THR 228 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2g54 h THR 228 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2g54 h THR 228 CO 0.00 0.00 0.22 -0.09 0.37 0.00 0.00 175.52 176.02 2g54 h ARG 229 N -0.82 0.53 -0.53 6.66 9.65 -0.86 -2.38 114.38 126.63 2g54 h ARG 229 Ca -0.03 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 2g54 h ARG 229 Cb 0.76 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 2g54 h ARG 229 CO -0.16 0.43 0.10 -1.00 2.80 0.00 0.00 179.97 182.14 2g54 h PRO 230 N 0.50 0.83 -0.67 0.20 0.13 -1.73 -1.16 132.00 130.10 2g54 h PRO 230 Ca 0.14 -0.18 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 2g54 h PRO 230 Cb 0.04 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.03 2g54 h PRO 230 CO -0.02 0.77 0.24 -0.91 -0.23 0.00 0.00 178.00 177.84 2g54 h ASN 231 N 0.79 0.92 -0.30 1.44 2.35 -0.95 0.64 115.58 120.48 2g54 h ASN 231 Ca 0.17 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 2g54 h ASN 231 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2g54 h ASN 231 CO 0.00 0.85 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.91 2g54 h GLN 232 N 0.97 0.72 -0.15 0.81 4.15 -1.01 -2.09 115.11 118.51 2g54 h GLN 232 Ca 0.22 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2g54 h GLN 232 Cb 0.23 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2g54 h GLN 232 CO -0.01 0.81 0.00 0.39 -1.93 0.00 0.00 178.83 178.09 2g54 n GLU 233 N -4.17 1.47 -2.73 1.69 1.02 -0.48 -4.90 120.64 112.54 2g54 n GLU 233 Ca 0.01 -0.72 -0.16 0.00 -0.02 0.00 0.00 57.16 56.27 2g54 n GLU 233 Cb 0.36 -1.27 0.02 0.00 -0.02 0.00 0.00 31.44 30.52 2g54 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g54 n GLY 234 N 0.93 -0.19 3.79 0.62 0.00 -0.30 -5.01 105.19 105.03 2g54 n GLY 234 Ca 0.12 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2g54 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g54 s ILE 235 N -2.96 5.19 -0.58 -0.61 1.01 0.21 -5.00 121.20 118.45 2g54 s ILE 235 Ca 0.19 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.75 2g54 s ILE 235 Cb -0.08 -3.28 0.10 0.00 0.01 0.00 0.00 42.46 39.21 2g54 s ILE 235 CO 0.23 0.57 0.69 -0.62 0.00 0.00 0.00 174.94 175.81 2g54 s ASP 236 N -0.59 6.18 0.29 3.58 -1.08 -1.26 -4.19 116.67 119.61 2g54 s ASP 236 Ca 0.12 -1.42 -0.01 0.00 -0.52 0.00 0.00 52.55 50.71 2g54 s ASP 236 Cb -0.12 -2.30 0.46 0.00 -1.46 0.00 0.00 42.92 39.50 2g54 s ASP 236 CO 0.02 -1.09 1.93 0.58 0.52 0.00 0.00 175.17 177.14 2g54 h VAL 237 N 5.92 1.14 -0.42 1.11 2.07 -1.94 -1.38 116.25 122.75 2g54 h VAL 237 Ca -0.29 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2g54 h VAL 237 Cb 1.09 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2g54 h VAL 237 CO 1.09 0.20 0.23 -0.09 0.02 0.00 0.00 177.57 179.03 2g54 h ARG 238 N 1.11 0.46 -0.65 1.57 2.43 -1.95 0.62 114.38 117.97 2g54 h ARG 238 Ca 0.36 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 2g54 h ARG 238 Cb 0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2g54 h ARG 238 CO -0.11 0.30 0.38 0.37 -1.51 0.00 0.00 179.97 179.40 2g54 h GLN 239 N 0.47 0.89 -0.94 0.20 4.15 -1.79 -1.63 115.11 116.46 2g54 h GLN 239 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2g54 h GLN 239 Cb 0.04 -0.18 -0.05 0.00 0.21 0.00 0.00 27.48 27.50 2g54 h GLN 239 CO -0.09 0.65 0.56 0.93 -1.93 0.00 0.00 178.83 178.94 2g54 h GLU 240 N 0.89 1.28 0.14 1.69 4.39 -0.53 0.22 114.58 122.65 2g54 h GLU 240 Ca 0.23 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2g54 h GLU 240 Cb -0.01 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 2g54 h GLU 240 CO -0.04 0.90 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.57 2g54 h LEU 241 N 1.30 -0.15 -0.46 1.33 3.38 -0.34 0.37 115.31 120.72 2g54 h LEU 241 Ca 0.34 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.34 2g54 h LEU 241 Cb -0.05 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2g54 h LEU 241 CO -0.06 -0.10 0.24 -0.07 0.09 0.00 0.00 178.44 178.54 2g54 h LEU 242 N -0.19 0.37 -1.01 1.67 -0.00 -0.85 0.32 115.31 115.61 2g54 h LEU 242 Ca -0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2g54 h LEU 242 Cb 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2g54 h LEU 242 CO 0.03 0.26 0.25 0.50 -0.00 0.00 0.00 178.44 179.48 2g54 h LYS 243 N 0.49 0.96 -0.06 1.13 3.64 -0.26 0.37 116.57 122.84 2g54 h LYS 243 Ca 0.20 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2g54 h LYS 243 Cb 0.08 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2g54 h LYS 243 CO -0.13 0.79 -0.02 0.35 -2.27 0.00 0.00 179.45 178.17 2g54 h PHE 244 N 0.94 0.13 -0.67 1.91 3.57 0.34 -1.59 116.94 121.57 2g54 h PHE 244 Ca 0.22 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2g54 h PHE 244 Cb 0.20 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 2g54 h PHE 244 CO 0.01 0.49 0.32 1.25 -2.23 0.00 0.00 178.31 178.15 2g54 h HIS 245 N -0.26 0.98 -0.54 0.41 2.76 -0.79 -0.83 115.15 116.88 2g54 h HIS 245 Ca 0.01 -0.05 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 2g54 h HIS 245 Cb 0.45 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 2g54 h HIS 245 CO 0.07 0.74 0.11 1.03 -1.30 0.00 0.00 177.93 178.57 2g54 h SER 246 N 0.94 0.83 1.11 3.26 0.87 -0.92 0.08 113.55 119.71 2g54 h SER 246 Ca 0.23 -0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 2g54 h SER 246 Cb 0.13 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2g54 h SER 246 CO -0.03 0.86 -0.82 0.00 -0.53 0.00 0.00 176.83 176.31 2g54 h ALA 247 N 1.00 0.50 0.00 6.23 0.00 -1.12 -3.40 119.26 122.47 2g54 h ALA 247 Ca 0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2g54 h ALA 247 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2g54 h ALA 247 CO 0.01 1.02 -1.59 0.66 0.00 0.00 0.00 179.25 179.34 2g54 n TYR 248 N -3.35 0.00 -1.41 0.00 4.02 -0.33 -4.73 117.16 111.36 2g54 n TYR 248 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.50 2g54 n TYR 248 Cb 0.85 -0.40 -0.02 0.00 -0.02 0.00 0.00 39.34 39.75 2g54 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2g54 n TYR 249 N -2.21 2.72 -3.80 -0.72 0.53 0.01 -4.89 117.16 108.79 2g54 n TYR 249 Ca -0.12 -2.88 -0.35 0.00 -1.02 0.00 0.00 57.90 53.53 2g54 n TYR 249 Cb 0.66 -2.40 -0.05 0.00 -1.03 0.00 0.00 39.34 36.51 2g54 n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2g54 s SER 250 N 2.84 6.46 0.55 7.72 0.15 -1.26 -4.86 113.70 125.29 2g54 s SER 250 Ca 0.58 0.52 0.23 0.00 0.70 0.00 0.00 55.95 57.99 2g54 s SER 250 Cb 0.16 -2.08 1.44 0.00 -1.71 0.00 0.00 66.02 63.83 2g54 s SER 250 CO -0.06 0.31 2.08 0.77 1.20 0.00 0.00 173.24 177.54 2g54 h SER 251 N 4.33 0.00 0.61 5.45 4.64 -1.37 -0.93 113.55 126.29 2g54 h SER 251 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2g54 h SER 251 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2g54 h SER 251 CO 0.64 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 2g54 n ASN 252 N -4.25 0.20 -0.49 4.97 6.94 -1.21 -2.11 115.26 119.31 2g54 n ASN 252 Ca 0.03 0.55 0.09 0.00 -0.02 0.00 0.00 54.58 55.23 2g54 n ASN 252 Cb 0.35 -0.59 0.20 0.00 -2.36 0.00 0.00 39.78 37.38 2g54 n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2g54 n LEU 253 N -1.72 3.11 -4.52 -4.53 4.77 -0.36 -4.88 117.00 108.87 2g54 n LEU 253 Ca 0.03 -3.10 -0.29 0.00 -0.03 0.00 0.00 56.01 52.62 2g54 n LEU 253 Cb 0.20 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.69 2g54 n LEU 253 CO 0.16 0.73 -0.47 -0.04 -1.33 0.00 0.00 177.39 176.45 2g54 s MET 254 N -2.88 1.90 -0.01 3.23 -1.94 -0.90 -0.25 119.30 118.46 2g54 s MET 254 Ca 0.37 -1.13 0.01 0.00 -1.71 0.00 0.00 55.69 53.23 2g54 s MET 254 Cb 0.31 -2.18 0.01 0.00 2.01 0.00 0.00 34.83 34.98 2g54 s MET 254 CO 0.05 0.49 -0.03 0.00 -0.01 0.00 0.00 175.02 175.52 2g54 s ALA 255 N -1.19 0.31 0.08 3.03 0.00 -0.81 -2.57 121.76 120.61 2g54 s ALA 255 Ca 0.19 -0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2g54 s ALA 255 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 2g54 s ALA 255 CO 0.12 0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.84 2g54 s VAL 256 N 0.22 1.18 -0.07 0.00 1.01 0.13 -0.83 120.40 122.05 2g54 s VAL 256 Ca -0.02 -1.40 -0.03 0.00 0.00 0.00 0.00 61.98 60.54 2g54 s VAL 256 Cb -0.05 -1.19 0.04 0.00 0.00 0.00 0.00 36.38 35.19 2g54 s VAL 256 CO -0.00 -0.25 0.12 0.00 0.00 0.00 0.00 175.10 174.96 2g54 s VAL 258 N 2.16 2.25 -0.06 0.00 1.01 -0.83 -1.86 120.40 123.07 2g54 s VAL 258 Ca 0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2g54 s VAL 258 Cb -0.12 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2g54 s VAL 258 CO -0.05 0.58 -0.01 -0.22 0.00 0.00 0.00 175.10 175.39 2g54 s LEU 259 N -0.41 0.87 0.00 3.92 2.96 0.61 -0.39 118.68 126.25 2g54 s LEU 259 Ca 0.04 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.78 2g54 s LEU 259 Cb -0.12 -0.44 0.03 0.00 0.50 0.00 0.00 46.19 46.16 2g54 s LEU 259 CO 0.01 -0.14 0.44 0.61 -1.32 0.00 0.00 176.35 175.95 2g54 n GLY 260 N 4.73 1.66 0.16 7.98 0.00 -0.89 -0.45 105.19 118.37 2g54 n GLY 260 Ca -0.14 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.66 2g54 n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2g54 h ARG 261 N 0.00 0.00 -6.92 1.61 3.08 -1.85 0.12 114.38 110.42 2g54 h ARG 261 Ca -0.20 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.31 2g54 h ARG 261 Cb 0.76 0.00 0.19 0.00 0.08 0.00 0.00 29.97 31.01 2g54 h ARG 261 CO 0.26 0.42 -0.14 0.39 -1.07 0.00 0.00 179.97 179.83 2g54 n GLU 262 N -3.23 0.07 -1.32 0.04 4.71 -1.26 -4.16 120.64 115.49 2g54 n GLU 262 Ca 0.02 0.08 -0.30 0.00 -0.01 0.00 0.00 57.16 56.96 2g54 n GLU 262 Cb 0.68 -2.09 0.12 0.00 -1.01 0.00 0.00 31.44 29.14 2g54 n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2g54 s SER 263 N -1.91 3.76 0.27 1.62 1.04 -1.26 -4.58 113.70 112.65 2g54 s SER 263 Ca 0.66 1.41 -0.04 0.00 0.48 0.00 0.00 55.95 58.47 2g54 s SER 263 Cb -0.29 -2.10 0.37 0.00 0.10 0.00 0.00 66.02 64.10 2g54 s SER 263 CO 0.58 -2.45 1.93 -0.07 0.98 0.00 0.00 173.24 174.21 2g54 h LEU 264 N -1.42 1.05 -0.32 2.42 3.38 -1.94 0.15 115.31 118.64 2g54 h LEU 264 Ca -0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2g54 h LEU 264 Cb 1.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2g54 h LEU 264 CO 0.56 0.74 0.16 0.44 0.09 0.00 0.00 178.44 180.43 2g54 h ASP 265 N 1.23 0.41 -0.53 -0.43 3.45 -1.99 0.26 116.42 118.83 2g54 h ASP 265 Ca 0.36 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.64 2g54 h ASP 265 Cb -0.06 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 2g54 h ASP 265 CO -0.10 0.41 0.06 0.44 -1.57 0.00 0.00 179.24 178.48 2g54 h ASP 266 N 0.39 0.87 -0.35 6.45 3.32 -1.80 -1.93 116.42 123.36 2g54 h ASP 266 Ca 0.11 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 2g54 h ASP 266 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2g54 h ASP 266 CO -0.02 0.92 0.04 -0.07 -1.72 0.00 0.00 179.24 178.40 2g54 h LEU 267 N 0.78 0.65 -0.52 1.55 3.38 -0.74 -0.61 115.31 119.79 2g54 h LEU 267 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2g54 h LEU 267 Cb 0.44 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2g54 h LEU 267 CO 0.02 0.69 0.30 0.74 0.09 0.00 0.00 178.44 180.27 2g54 h THR 268 N 0.66 1.17 -0.23 0.22 2.02 -0.08 -0.15 112.91 116.53 2g54 h THR 268 Ca 0.14 -0.42 -0.14 0.00 0.77 0.00 0.00 66.41 66.76 2g54 h THR 268 Cb 0.35 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2g54 h THR 268 CO 0.01 0.18 -0.44 0.78 0.37 0.00 0.00 175.52 176.42 2g54 h ASN 269 N 0.70 0.61 0.00 4.18 2.35 -0.98 -2.14 115.58 120.30 2g54 h ASN 269 Ca 0.19 -0.29 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 2g54 h ASN 269 Cb 0.03 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2g54 h ASN 269 CO -0.03 0.97 -0.00 0.25 -1.65 0.00 0.00 177.43 176.97 2g54 h LEU 270 N 0.46 -0.00 -0.91 1.61 6.46 -0.74 -1.72 115.31 120.47 2g54 h LEU 270 Ca 0.03 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2g54 h LEU 270 Cb 0.95 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 2g54 h LEU 270 CO 0.09 0.21 0.45 0.58 -0.62 0.00 0.00 178.44 179.15 2g54 h VAL 271 N -0.21 1.26 0.44 1.05 2.07 -1.02 -2.64 116.25 117.19 2g54 h VAL 271 Ca -0.00 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2g54 h VAL 271 Cb 0.21 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2g54 h VAL 271 CO 0.00 0.30 -0.21 0.58 0.02 0.00 0.00 177.57 178.26 2g54 h VAL 272 N 1.23 0.52 0.00 2.57 2.07 -1.29 0.11 116.25 121.46 2g54 h VAL 272 Ca 0.30 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2g54 h VAL 272 Cb 0.06 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 2g54 h VAL 272 CO -0.04 0.06 0.05 0.07 0.02 0.00 0.00 177.57 177.72 2g54 h LYS 273 N -0.82 0.00 0.00 1.57 2.10 -1.28 -1.52 116.57 116.61 2g54 h LYS 273 Ca -0.06 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.49 2g54 h LYS 273 Cb 0.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 2g54 h LYS 273 CO 0.10 0.00 -1.84 1.28 -2.00 0.00 0.00 179.45 176.99 2g54 n LEU 274 N -2.98 0.00 -0.00 7.07 4.77 -1.00 -4.75 117.00 120.12 2g54 n LEU 274 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2g54 n LEU 274 Cb 0.11 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2g54 n LEU 274 CO 0.18 0.13 -0.23 0.49 -1.33 0.00 0.00 177.39 176.63 2g54 n PHE 275 N -2.24 0.00 0.33 -1.77 3.01 0.38 -4.58 117.46 112.60 2g54 n PHE 275 Ca -0.11 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.47 2g54 n PHE 275 Cb 0.62 -0.03 0.50 0.00 -0.01 0.00 0.00 39.48 40.56 2g54 n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2g54 n SER 276 N -1.31 0.61 0.03 4.37 3.41 -0.59 -1.97 113.62 118.18 2g54 n SER 276 Ca 0.00 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 2g54 n SER 276 Cb 0.07 -0.80 0.50 0.00 -0.26 0.00 0.00 64.21 63.72 2g54 n SER 276 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2g54 n GLU 277 N -2.21 0.09 -1.97 4.33 -0.58 -1.26 -4.82 120.64 114.22 2g54 n GLU 277 Ca 0.01 0.06 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 2g54 n GLU 277 Cb 0.17 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 2g54 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2g54 s VAL 278 N -3.04 2.48 0.37 2.62 1.01 -0.83 -4.97 120.40 118.04 2g54 s VAL 278 Ca 0.12 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 2g54 s VAL 278 Cb 0.17 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.18 2g54 s VAL 278 CO 0.58 0.08 0.99 -1.61 0.00 0.00 0.00 175.10 175.15 2g54 s GLU 279 N -1.06 4.36 -0.35 2.72 2.02 -1.26 -4.77 118.70 120.37 2g54 s GLU 279 Ca 0.56 1.40 -0.03 0.00 0.02 0.00 0.00 54.97 56.92 2g54 s GLU 279 Cb -0.43 -2.63 0.07 0.00 0.10 0.00 0.00 34.13 31.25 2g54 s GLU 279 CO 0.50 0.06 0.10 1.21 0.02 0.00 0.00 175.26 177.15 2g54 s ASN 280 N -1.64 5.11 -0.02 -0.19 2.47 -1.26 -1.08 114.94 118.32 2g54 s ASN 280 Ca 0.55 -1.56 0.15 0.00 0.42 0.00 0.00 52.86 52.42 2g54 s ASN 280 Cb -0.19 -1.78 0.46 0.00 -1.45 0.00 0.00 41.25 38.28 2g54 s ASN 280 CO 0.25 -0.39 1.37 0.29 -3.72 0.00 0.00 177.10 174.90 2g54 n LYS 281 N 4.64 2.39 -4.00 0.43 4.01 -1.26 -4.93 118.16 119.44 2g54 n LYS 281 Ca -0.09 -1.85 -0.27 0.00 -0.51 0.00 0.00 58.31 55.59 2g54 n LYS 281 Cb 0.43 -1.49 -0.03 0.00 -0.51 0.00 0.00 35.03 33.43 2g54 n LYS 281 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2g54 n ASN 282 N 0.89 -0.37 -4.71 4.39 3.02 -1.26 -4.88 115.26 112.33 2g54 n ASN 282 Ca 0.17 -1.05 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 2g54 n ASN 282 Cb 0.50 -2.83 -0.03 0.00 -0.61 0.00 0.00 39.78 36.80 2g54 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2g54 s VAL 283 N -4.00 4.05 0.28 2.41 1.01 -1.26 -5.00 120.40 117.90 2g54 s VAL 283 Ca 0.03 1.47 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 2g54 s VAL 283 Cb -0.01 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 2g54 s VAL 283 CO 0.90 0.11 1.28 -2.84 0.00 0.00 0.00 175.10 174.56 2g54 s PRO 284 N 1.07 4.40 -0.07 2.72 0.02 -1.26 -4.87 135.00 137.02 2g54 s PRO 284 Ca 0.59 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 2g54 s PRO 284 Cb -0.29 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.06 2g54 s PRO 284 CO 0.29 -0.16 1.51 -1.17 -0.33 0.00 0.00 177.00 177.14 2g54 s LEU 285 N -1.19 4.29 0.31 -5.54 0.20 -1.26 -4.94 118.68 110.54 2g54 s LEU 285 Ca 0.51 2.08 -0.30 0.00 0.69 0.00 0.00 54.13 57.12 2g54 s LEU 285 Cb -0.38 -3.54 -0.12 0.00 -0.43 0.00 0.00 46.19 41.72 2g54 s LEU 285 CO 0.46 -0.85 1.48 -2.65 -0.29 0.00 0.00 176.35 174.51 2g54 n PRO 286 N 6.65 2.45 -4.25 0.98 -0.02 -1.26 -5.00 135.00 134.55 2g54 n PRO 286 Ca 0.16 0.87 -0.18 0.00 -2.02 0.00 0.00 63.50 62.32 2g54 n PRO 286 Cb 0.43 -2.57 -0.13 0.00 -0.02 0.00 0.00 33.50 31.21 2g54 n PRO 286 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2g54 s GLU 287 N -1.04 0.82 -0.49 -0.52 2.02 -1.26 -4.81 118.70 113.41 2g54 s GLU 287 Ca 0.61 -0.80 0.07 0.00 0.02 0.00 0.00 54.97 54.87 2g54 s GLU 287 Cb -0.54 -0.80 0.25 0.00 0.10 0.00 0.00 34.13 33.14 2g54 s GLU 287 CO 0.54 0.19 0.60 1.19 0.02 0.00 0.00 175.26 177.80 2g54 n PHE 288 N 1.68 1.24 -0.07 1.61 3.72 0.36 -4.96 117.46 121.05 2g54 n PHE 288 Ca -0.19 -3.80 0.02 0.00 -0.05 0.00 0.00 57.45 53.42 2g54 n PHE 288 Cb 0.55 -0.42 0.33 0.00 -0.94 0.00 0.00 39.48 39.00 2g54 n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2g54 h PRO 289 N 4.15 0.68 -6.20 -1.08 0.13 -1.81 -3.32 132.00 124.55 2g54 h PRO 289 Ca 0.13 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.63 2g54 h PRO 289 Cb 0.79 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 2g54 h PRO 289 CO 0.61 0.51 0.66 -2.00 -0.23 0.00 0.00 178.00 177.55 2g54 s GLU 290 N -5.46 4.36 0.14 0.86 2.12 -1.26 -4.79 118.70 114.67 2g54 s GLU 290 Ca -0.09 1.40 -0.31 0.00 0.36 0.00 0.00 54.97 56.34 2g54 s GLU 290 Cb 0.17 -3.58 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 2g54 s GLU 290 CO 0.76 -0.44 1.30 -1.58 -0.54 0.00 0.00 175.26 174.76 2g54 s HIS 291 N 2.46 3.31 0.56 5.30 5.65 -1.26 -4.90 115.29 126.41 2g54 s HIS 291 Ca 0.47 1.17 0.30 0.00 0.25 0.00 0.00 55.06 57.26 2g54 s HIS 291 Cb -0.18 -3.57 1.46 0.00 -1.18 0.00 0.00 32.58 29.11 2g54 s HIS 291 CO 0.14 -1.86 1.88 -1.35 -0.65 0.00 0.00 174.74 172.90 2g54 h PRO 292 N 6.09 0.00 -4.47 2.88 0.11 -1.94 -3.35 132.00 131.31 2g54 h PRO 292 Ca -0.43 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 64.96 2g54 h PRO 292 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 2g54 h PRO 292 CO 0.81 0.00 -0.44 -0.06 -0.21 0.00 0.00 178.00 178.10 2g54 s PHE 293 N -4.81 3.26 0.33 0.65 0.08 -1.26 -0.70 117.98 115.52 2g54 s PHE 293 Ca -0.05 -0.99 0.03 0.00 0.12 0.00 0.00 56.93 56.05 2g54 s PHE 293 Cb 0.19 -2.75 0.06 0.00 -0.57 0.00 0.00 43.02 39.95 2g54 s PHE 293 CO 0.67 -0.71 0.45 1.04 -0.10 0.00 0.00 175.22 176.56 2g54 n GLN 294 N 5.07 0.62 -0.18 0.44 1.13 -1.26 -4.93 117.38 118.27 2g54 n GLN 294 Ca -0.11 -1.55 -0.01 0.00 -1.94 0.00 0.00 57.00 53.39 2g54 n GLN 294 Cb 0.45 -0.20 0.08 0.00 0.11 0.00 0.00 30.24 30.68 2g54 n GLN 294 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 2g54 h GLU 295 N 0.00 0.14 0.00 -1.09 4.57 -1.96 0.42 114.58 116.65 2g54 h GLU 295 Ca -0.15 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2g54 h GLU 295 Cb 0.64 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2g54 h GLU 295 CO 0.20 0.09 0.00 -0.85 -1.18 0.00 0.00 179.01 177.26 2g54 n GLU 296 N -5.23 0.06 -0.12 1.92 0.00 -1.26 -1.25 120.64 114.76 2g54 n GLU 296 Ca 0.07 0.49 0.11 0.00 0.00 0.00 0.00 57.16 57.83 2g54 n GLU 296 Cb 0.30 -1.68 0.16 0.00 0.00 0.00 0.00 31.44 30.23 2g54 n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2g54 n HIS 297 N -1.81 0.33 -3.98 -1.84 8.25 0.13 -4.96 115.22 111.33 2g54 n HIS 297 Ca 0.00 -0.18 -0.21 0.00 -0.26 0.00 0.00 57.72 57.07 2g54 n HIS 297 Cb 0.07 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 2g54 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2g54 s LEU 298 N -1.50 3.84 -1.39 2.41 1.43 -0.38 -4.50 118.68 118.59 2g54 s LEU 298 Ca 0.32 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 2g54 s LEU 298 Cb 0.20 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2g54 s LEU 298 CO 0.28 -0.14 1.14 0.29 0.23 0.00 0.00 176.35 178.15 2g54 n LYS 299 N -1.29 -7.47 -4.37 1.70 5.02 0.16 -4.94 118.16 106.97 2g54 n LYS 299 Ca -0.06 0.79 -0.30 0.00 -2.02 0.00 0.00 58.31 56.71 2g54 n LYS 299 Cb 0.58 -5.81 -0.11 0.00 -0.02 0.00 0.00 35.03 29.67 2g54 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2g54 s GLN 300 N -6.34 2.05 -0.06 1.97 -1.52 -1.24 -1.00 119.66 113.52 2g54 s GLN 300 Ca 0.58 -1.03 0.06 0.00 -1.95 0.00 0.00 55.36 53.01 2g54 s GLN 300 Cb -0.26 -2.24 -0.01 0.00 -0.22 0.00 0.00 33.01 30.28 2g54 s GLN 300 CO 0.75 0.52 -0.24 -1.17 -0.25 0.00 0.00 175.29 174.89 2g54 s LEU 301 N -1.95 2.12 -0.08 2.90 2.96 0.16 -1.44 118.68 123.35 2g54 s LEU 301 Ca 0.18 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2g54 s LEU 301 Cb -0.11 -1.39 0.01 0.00 0.50 0.00 0.00 46.19 45.20 2g54 s LEU 301 CO 0.10 0.25 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.90 2g54 s TYR 302 N -0.16 1.93 -0.23 5.38 1.51 0.85 -1.31 117.35 125.32 2g54 s TYR 302 Ca -0.03 -0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 55.21 2g54 s TYR 302 Cb -0.14 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2g54 s TYR 302 CO 0.04 -0.36 -0.03 0.15 -1.11 0.00 0.00 175.55 174.24 2g54 s LYS 303 N 0.59 3.33 0.01 -0.62 1.02 -0.50 0.48 119.74 124.04 2g54 s LYS 303 Ca -0.15 -0.66 0.08 0.00 0.02 0.00 0.00 55.97 55.26 2g54 s LYS 303 Cb -0.16 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2g54 s LYS 303 CO 0.05 -0.23 -0.25 0.42 -0.92 0.00 0.00 175.35 174.42 2g54 s ILE 304 N 1.47 2.02 -0.33 2.17 1.01 0.51 -0.92 121.20 127.15 2g54 s ILE 304 Ca 0.05 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.33 2g54 s ILE 304 Cb -0.15 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2g54 s ILE 304 CO -0.03 0.45 0.36 -0.69 0.00 0.00 0.00 174.94 175.03 2g54 s VAL 305 N -0.70 5.17 0.74 2.92 1.01 -0.58 -1.31 120.40 127.67 2g54 s VAL 305 Ca 0.10 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 2g54 s VAL 305 Cb -0.10 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.56 2g54 s VAL 305 CO 0.01 -0.04 1.09 -2.16 0.00 0.00 0.00 175.10 174.00 2g54 s PRO 306 N 2.02 2.21 -0.17 2.72 0.04 -1.26 -4.52 135.00 136.03 2g54 s PRO 306 Ca 0.12 -0.01 -0.18 0.00 0.04 0.00 0.00 61.00 60.97 2g54 s PRO 306 Cb -0.16 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 2g54 s PRO 306 CO 0.11 -1.34 0.21 0.82 0.04 0.00 0.00 177.00 176.84 2g54 h ILE 307 N -0.78 0.78 -4.34 0.56 1.08 -1.97 -3.46 117.51 109.38 2g54 h ILE 307 Ca -0.45 -1.83 -0.48 0.00 -0.39 0.00 0.00 64.86 61.72 2g54 h ILE 307 Cb 1.31 1.72 0.11 0.00 -3.07 0.00 0.00 36.82 36.89 2g54 h ILE 307 CO 0.63 0.27 0.34 -0.54 -0.69 0.00 0.00 178.15 178.16 2g54 s LYS 308 N -2.23 1.84 -0.98 2.37 1.02 -1.26 -4.95 119.74 115.55 2g54 s LYS 308 Ca -0.21 0.42 -0.17 0.00 0.02 0.00 0.00 55.97 56.04 2g54 s LYS 308 Cb 0.03 -1.91 0.16 0.00 -0.52 0.00 0.00 37.83 35.58 2g54 s LYS 308 CO 0.47 -1.74 1.14 0.34 -0.92 0.00 0.00 175.35 174.63 2g54 s ASP 309 N -4.10 6.76 0.11 2.83 -1.08 -1.26 -4.86 116.67 115.07 2g54 s ASP 309 Ca 0.62 -2.37 0.06 0.00 -0.52 0.00 0.00 52.55 50.34 2g54 s ASP 309 Cb -0.14 -2.37 -0.04 0.00 -1.46 0.00 0.00 42.92 38.92 2g54 s ASP 309 CO 0.53 -0.91 -0.14 0.27 0.52 0.00 0.00 175.17 175.43 2g54 s ILE 310 N 2.01 1.31 -0.20 4.11 -4.36 -1.26 -4.86 121.20 117.95 2g54 s ILE 310 Ca 0.33 -1.64 -0.00 0.00 -0.26 0.00 0.00 60.65 59.08 2g54 s ILE 310 Cb -0.05 -1.45 0.05 0.00 1.25 0.00 0.00 42.46 42.25 2g54 s ILE 310 CO -0.08 -0.36 -0.05 -0.13 0.24 0.00 0.00 174.94 174.56 2g54 s ARG 311 N -2.47 1.51 0.08 0.37 0.52 -1.26 -4.02 118.95 113.68 2g54 s ARG 311 Ca 0.07 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2g54 s ARG 311 Cb -0.06 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.09 2g54 s ARG 311 CO 0.03 -0.51 -0.08 -0.80 0.02 0.00 0.00 175.30 173.96 2g54 s ASN 312 N 1.54 1.14 -0.13 0.23 0.01 -0.68 -0.42 114.94 116.63 2g54 s ASN 312 Ca -0.02 -0.82 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 2g54 s ASN 312 Cb -0.17 0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.57 2g54 s ASN 312 CO -0.07 -0.33 -0.11 -0.22 -1.51 0.00 0.00 177.10 174.85 2g54 s LEU 313 N -2.44 1.47 -0.22 0.60 2.96 -0.33 -0.61 118.68 120.10 2g54 s LEU 313 Ca 0.03 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 2g54 s LEU 313 Cb -0.02 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.68 2g54 s LEU 313 CO -0.02 -0.07 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.55 2g54 s TYR 314 N 1.50 2.96 -0.17 5.38 2.02 0.83 -0.95 117.35 128.92 2g54 s TYR 314 Ca 0.03 -1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 55.38 2g54 s TYR 314 Cb -0.13 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2g54 s TYR 314 CO -0.08 -0.67 -0.08 0.08 -1.57 0.00 0.00 175.55 173.23 2g54 s VAL 315 N 1.38 3.36 0.01 0.71 1.01 -0.98 -0.74 120.40 125.16 2g54 s VAL 315 Ca 0.03 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2g54 s VAL 315 Cb -0.15 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2g54 s VAL 315 CO -0.06 0.48 -0.16 -0.89 0.00 0.00 0.00 175.10 174.47 2g54 s THR 316 N 0.80 1.25 -0.08 3.92 2.01 -0.09 -1.55 115.64 121.91 2g54 s THR 316 Ca -0.03 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2g54 s THR 316 Cb -0.15 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.30 2g54 s THR 316 CO 0.01 0.21 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.70 2g54 s PHE 317 N -0.60 1.30 0.25 4.92 0.40 0.02 -1.05 117.98 123.22 2g54 s PHE 317 Ca 0.05 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 2g54 s PHE 317 Cb -0.07 -1.03 -0.09 0.00 0.51 0.00 0.00 43.02 42.34 2g54 s PHE 317 CO 0.00 -0.33 1.09 -1.25 0.70 0.00 0.00 175.22 175.43 2g54 s PRO 318 N 1.06 4.64 0.07 0.24 0.04 -1.26 -0.61 135.00 139.19 2g54 s PRO 318 Ca -0.08 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 2g54 s PRO 318 Cb -0.14 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2g54 s PRO 318 CO -0.01 0.19 0.01 0.96 0.04 0.00 0.00 177.00 178.19 2g54 s ILE 319 N -0.90 0.19 1.06 0.56 -4.36 -0.27 -4.88 121.20 112.61 2g54 s ILE 319 Ca 0.46 -1.79 -0.13 0.00 -0.26 0.00 0.00 60.65 58.93 2g54 s ILE 319 Cb -0.31 -1.63 0.22 0.00 1.25 0.00 0.00 42.46 42.00 2g54 s ILE 319 CO 0.39 -0.85 1.08 -2.84 0.24 0.00 0.00 174.94 172.95 2g54 s PRO 320 N -3.94 -0.08 -0.20 0.37 0.02 -1.26 -1.50 135.00 128.40 2g54 s PRO 320 Ca 0.11 0.51 -0.29 0.00 0.02 0.00 0.00 61.00 61.35 2g54 s PRO 320 Cb 0.08 -1.68 -0.02 0.00 0.02 0.00 0.00 34.50 32.90 2g54 s PRO 320 CO -0.07 -3.07 1.37 0.34 -0.33 0.00 0.00 177.00 175.23 2g54 s ASP 321 N -3.28 6.74 0.00 2.53 3.68 -1.25 -3.97 116.67 121.12 2g54 s ASP 321 Ca 0.66 1.59 0.24 0.00 2.13 0.00 0.00 52.55 57.17 2g54 s ASP 321 Cb -0.19 -2.54 0.36 0.00 -1.45 0.00 0.00 42.92 39.10 2g54 s ASP 321 CO 0.59 -0.96 1.36 0.18 0.13 0.00 0.00 175.17 176.47 2g54 n LEU 322 N 7.28 3.07 -0.35 -1.34 4.77 -1.26 -4.52 117.00 124.65 2g54 n LEU 322 Ca 0.15 -1.17 0.13 0.00 -0.03 0.00 0.00 56.01 55.09 2g54 n LEU 322 Cb 0.45 -0.11 0.32 0.00 -2.33 0.00 0.00 43.42 41.75 2g54 n LEU 322 CO 0.60 0.59 1.18 -0.61 -1.33 0.00 0.00 177.39 177.82 2g54 h GLN 323 N 4.39 0.71 0.00 3.23 5.75 -1.99 0.01 115.11 127.22 2g54 h GLN 323 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2g54 h GLN 323 Cb 0.95 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2g54 h GLN 323 CO 0.00 0.47 0.00 1.57 -2.65 0.00 0.00 178.83 178.22 2g54 h LYS 324 N 0.73 0.00 -0.69 1.69 2.10 -2.00 -2.21 116.57 116.19 2g54 h LYS 324 Ca 0.58 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 59.18 2g54 h LYS 324 Cb 0.91 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 2g54 h LYS 324 CO -0.39 0.00 0.05 0.66 -2.00 0.00 0.00 179.45 177.77 2g54 n TYR 325 N -3.04 1.78 0.33 0.07 4.01 -0.01 -4.60 117.16 115.70 2g54 n TYR 325 Ca -0.02 -0.69 0.13 0.00 -0.16 0.00 0.00 57.90 57.17 2g54 n TYR 325 Cb 0.16 -0.48 0.71 0.00 -0.31 0.00 0.00 39.34 39.42 2g54 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2g54 h TYR 326 N 3.01 0.00 -0.03 -0.72 -0.00 -1.49 0.42 116.97 118.17 2g54 h TYR 326 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.64 2g54 h TYR 326 Cb 1.79 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.51 2g54 h TYR 326 CO 0.94 0.00 -0.62 0.87 -0.00 0.00 0.00 178.16 179.35 2g54 h LYS 327 N 0.00 0.10 0.00 0.10 1.57 -1.88 -3.32 116.57 113.14 2g54 h LYS 327 Ca 0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2g54 h LYS 327 Cb 0.86 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2g54 h LYS 327 CO -0.00 0.69 -1.45 -1.13 -0.57 0.00 0.00 179.45 176.99 2g54 n SER 328 N -3.83 3.07 -3.71 0.86 3.41 -0.01 -0.79 113.62 112.63 2g54 n SER 328 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.34 2g54 n SER 328 Cb 0.62 1.09 0.01 0.00 -0.26 0.00 0.00 64.21 65.68 2g54 n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2g54 n ASN 329 N -2.00 -5.29 -0.31 4.04 2.85 0.13 -4.83 115.26 109.85 2g54 n ASN 329 Ca -0.06 -0.89 -0.04 0.00 -0.11 0.00 0.00 54.58 53.48 2g54 n ASN 329 Cb 0.44 -2.54 0.10 0.00 1.24 0.00 0.00 39.78 39.03 2g54 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2g54 h PRO 330 N -0.84 1.22 -0.58 1.20 0.13 -1.92 -2.67 132.00 128.55 2g54 h PRO 330 Ca -0.55 -0.15 0.05 0.00 -0.87 0.00 0.00 66.00 64.48 2g54 h PRO 330 Cb 1.33 -0.23 -0.05 0.00 0.13 0.00 0.00 31.00 32.18 2g54 h PRO 330 CO 0.40 0.90 0.30 0.78 -0.23 0.00 0.00 178.00 180.16 2g54 h GLY 331 N 1.23 0.82 2.00 1.56 0.00 -1.92 -1.70 103.07 105.06 2g54 h GLY 331 Ca 0.30 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 2g54 h GLY 331 CO -0.05 0.13 -0.31 0.45 0.00 0.00 0.00 176.54 176.76 2g54 h HIS 332 N 0.57 0.00 -0.03 5.60 3.86 -1.88 -1.51 115.15 121.76 2g54 h HIS 332 Ca 0.26 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2g54 h HIS 332 Cb 0.16 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 2g54 h HIS 332 CO -0.09 0.31 0.01 -0.92 0.86 0.00 0.00 177.93 178.10 2g54 h TYR 333 N 0.00 0.04 -0.16 2.45 3.20 -0.99 0.16 116.97 121.67 2g54 h TYR 333 Ca -0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2g54 h TYR 333 Cb 0.80 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2g54 h TYR 333 CO 0.00 0.15 -0.31 -0.07 -1.64 0.00 0.00 178.16 176.29 2g54 h LEU 334 N -0.09 0.31 -0.36 2.82 3.38 -1.21 -2.57 115.31 117.60 2g54 h LEU 334 Ca 0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2g54 h LEU 334 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2g54 h LEU 334 CO -0.00 0.62 -0.17 1.23 0.09 0.00 0.00 178.44 180.21 2g54 h GLY 335 N 1.07 0.81 0.55 0.83 0.00 -1.03 0.19 103.07 105.49 2g54 h GLY 335 Ca 0.04 -0.72 0.10 0.00 0.00 0.00 0.00 47.33 46.74 2g54 h GLY 335 CO 0.05 0.66 0.56 0.84 0.00 0.00 0.00 176.54 178.65 2g54 h HIS 336 N 0.54 1.01 0.02 5.60 -0.00 -0.42 0.46 115.15 122.36 2g54 h HIS 336 Ca 0.08 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2g54 h HIS 336 Cb 0.71 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 2g54 h HIS 336 CO 0.06 0.44 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.34 2g54 h LEU 337 N 0.93 -0.02 -1.40 0.26 4.07 -1.33 -2.77 115.31 115.04 2g54 h LEU 337 Ca 0.43 -0.61 -0.02 0.00 0.08 0.00 0.00 57.88 57.76 2g54 h LEU 337 Cb 0.36 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 2g54 h LEU 337 CO -0.24 0.76 0.16 0.40 -1.08 0.00 0.00 178.44 178.45 2g54 h ILE 338 N -0.97 1.15 -0.20 1.22 2.04 -0.89 -2.32 117.51 117.54 2g54 h ILE 338 Ca -0.00 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2g54 h ILE 338 Cb 0.63 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2g54 h ILE 338 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.95 2g54 n GLY 339 N -1.19 0.55 3.77 5.37 0.00 0.16 -4.66 105.19 109.19 2g54 n GLY 339 Ca 0.03 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2g54 n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2g54 s HIS 340 N -1.75 2.84 0.51 1.61 5.04 -0.88 -4.82 115.29 117.85 2g54 s HIS 340 Ca 0.33 1.30 0.06 0.00 -1.54 0.00 0.00 55.06 55.21 2g54 s HIS 340 Cb 0.18 -3.84 0.02 0.00 0.04 0.00 0.00 32.58 28.99 2g54 s HIS 340 CO 0.27 -2.39 0.36 -1.21 -2.34 0.00 0.00 174.74 169.44 2g54 s GLU 341 N -1.89 2.29 0.00 2.88 2.02 -1.26 -4.23 118.70 118.50 2g54 s GLU 341 Ca 0.51 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.55 2g54 s GLU 341 Cb -0.43 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.70 2g54 s GLU 341 CO 0.57 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.77 2g54 n GLY 342 N -1.66 2.56 3.59 -1.39 0.00 -1.26 -4.82 105.19 102.21 2g54 n GLY 342 Ca -0.01 -1.72 -0.49 0.00 0.00 0.00 0.00 46.02 43.80 2g54 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2g54 n PRO 343 N 1.10 1.24 -0.56 1.61 -0.02 -1.26 -1.87 135.00 135.23 2g54 n PRO 343 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2g54 n PRO 343 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2g54 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2g54 n GLY 344 N 2.07 1.56 3.83 -1.23 0.00 -1.26 -4.69 105.19 105.47 2g54 n GLY 344 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2g54 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g54 s SER 345 N -3.28 4.18 0.21 1.61 1.04 -0.78 -1.52 113.70 115.16 2g54 s SER 345 Ca 0.00 1.02 -0.09 0.00 0.48 0.00 0.00 55.95 57.36 2g54 s SER 345 Cb 0.00 -1.64 0.15 0.00 0.10 0.00 0.00 66.02 64.64 2g54 s SER 345 CO 0.00 -2.13 1.80 0.25 0.98 0.00 0.00 173.24 174.14 2g54 h LEU 346 N -1.21 1.03 0.13 2.42 5.85 -1.83 -2.97 115.31 118.73 2g54 h LEU 346 Ca -0.48 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2g54 h LEU 346 Cb 1.31 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2g54 h LEU 346 CO 0.62 0.88 -0.06 0.25 -0.34 0.00 0.00 178.44 179.79 2g54 h LEU 347 N 1.11 -0.15 -0.50 2.25 6.46 -1.85 -2.01 115.31 120.61 2g54 h LEU 347 Ca 0.27 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 58.11 2g54 h LEU 347 Cb 0.13 0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.00 2g54 h LEU 347 CO -0.03 -0.09 -0.17 0.28 -0.62 0.00 0.00 178.44 177.81 2g54 h SER 348 N -0.20 -0.61 -0.56 1.25 0.02 -1.79 0.35 113.55 112.02 2g54 h SER 348 Ca -0.02 0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 2g54 h SER 348 Cb 0.16 0.36 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2g54 h SER 348 CO 0.03 -0.21 0.07 -0.08 -1.14 0.00 0.00 176.83 175.50 2g54 h GLU 349 N -0.05 0.95 -0.16 3.45 4.57 -1.48 -0.25 114.58 121.61 2g54 h GLU 349 Ca 0.24 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 2g54 h GLU 349 Cb 0.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2g54 h GLU 349 CO -0.55 0.92 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.01 2g54 h LEU 350 N 0.84 0.24 -0.01 1.64 4.07 -0.47 -1.84 115.31 119.78 2g54 h LEU 350 Ca 0.17 -0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 2g54 h LEU 350 Cb 0.45 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.13 2g54 h LEU 350 CO 0.02 0.39 -0.23 0.50 -1.08 0.00 0.00 178.44 178.03 2g54 h LYS 351 N 0.24 0.17 -0.21 1.13 1.63 0.01 -2.10 116.57 117.44 2g54 h LYS 351 Ca 0.05 -0.17 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2g54 h LYS 351 Cb 0.36 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2g54 h LYS 351 CO 0.02 0.90 0.05 0.66 -3.45 0.00 0.00 179.45 177.64 2g54 h SER 352 N -0.50 0.26 0.62 4.20 4.64 -0.91 0.32 113.55 122.19 2g54 h SER 352 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2g54 h SER 352 Cb 0.98 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2g54 h SER 352 CO 0.05 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.57 2g54 n LYS 353 N -4.42 0.12 -2.39 4.77 5.02 -0.70 -4.89 118.16 115.66 2g54 n LYS 353 Ca 0.00 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 2g54 n LYS 353 Cb 0.14 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 2g54 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2g54 n GLY 354 N 0.68 0.13 0.03 0.72 0.00 0.11 -4.95 105.19 101.92 2g54 n GLY 354 Ca 0.07 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.64 2g54 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2g54 n TRP 355 N -3.85 0.00 -3.95 1.61 8.01 -0.80 -4.23 117.44 114.23 2g54 n TRP 355 Ca -0.07 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.04 2g54 n TRP 355 Cb 0.56 -0.47 -0.09 0.00 -2.01 0.00 0.00 31.31 29.30 2g54 n TRP 355 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2g54 s VAL 356 N -2.73 0.16 -0.03 -0.99 1.01 -1.13 -1.52 120.40 115.16 2g54 s VAL 356 Ca -0.06 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.62 2g54 s VAL 356 Cb 0.07 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2g54 s VAL 356 CO 0.59 -0.72 -0.02 0.59 0.00 0.00 0.00 175.10 175.53 2g54 n ASN 357 N 0.35 3.84 -4.27 3.32 3.02 -1.26 -4.06 115.26 116.20 2g54 n ASN 357 Ca -0.17 -0.02 -0.24 0.00 -0.03 0.00 0.00 54.58 54.13 2g54 n ASN 357 Cb 0.60 0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.70 2g54 n ASN 357 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2g54 s THR 358 N -2.07 1.66 -0.03 3.41 2.01 -1.26 -5.00 115.64 114.35 2g54 s THR 358 Ca -0.04 -1.45 -0.02 0.00 0.31 0.00 0.00 61.69 60.49 2g54 s THR 358 Cb 0.01 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2g54 s THR 358 CO 0.09 -0.01 0.08 -0.22 -0.69 0.00 0.00 174.62 173.87 2g54 s LEU 359 N -1.73 1.41 -0.06 4.42 1.98 -1.26 -1.46 118.68 121.98 2g54 s LEU 359 Ca 0.06 0.16 -0.00 0.00 -2.89 0.00 0.00 54.13 51.46 2g54 s LEU 359 Cb -0.10 0.22 0.03 0.00 0.66 0.00 0.00 46.19 47.00 2g54 s LEU 359 CO 0.04 -0.07 -0.01 -0.69 -1.89 0.00 0.00 176.35 173.72 2g54 s VAL 360 N 0.43 0.41 0.09 1.68 1.01 0.40 -4.99 120.40 119.44 2g54 s VAL 360 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2g54 s VAL 360 Cb -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2g54 s VAL 360 CO -0.02 0.24 -0.06 -0.83 0.00 0.00 0.00 175.10 174.43 2g54 s GLY 361 N 1.54 0.72 0.00 4.51 0.00 -1.26 0.66 107.32 113.49 2g54 s GLY 361 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2g54 s GLY 361 CO -0.03 -1.43 0.00 0.61 0.00 0.00 0.00 173.10 172.24 2g54 n GLY 362 N -0.02 0.91 3.86 0.20 0.00 -0.53 -4.64 105.19 104.97 2g54 n GLY 362 Ca -0.12 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 2g54 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2g54 s GLN 363 N -1.47 3.93 -0.09 1.61 -2.07 -1.26 -0.45 119.66 119.86 2g54 s GLN 363 Ca 0.00 0.60 0.02 0.00 -1.82 0.00 0.00 55.36 54.16 2g54 s GLN 363 Cb 0.00 -2.42 0.02 0.00 -1.09 0.00 0.00 33.01 29.52 2g54 s GLN 363 CO 0.00 0.10 -0.13 0.21 -1.32 0.00 0.00 175.29 174.15 2g54 s LYS 364 N -3.25 1.91 0.65 9.60 2.20 0.85 -4.88 119.74 126.82 2g54 s LYS 364 Ca 0.53 -0.45 -0.18 0.00 -0.36 0.00 0.00 55.97 55.51 2g54 s LYS 364 Cb -0.10 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.54 2g54 s LYS 364 CO 0.22 -0.07 1.22 -0.85 -0.36 0.00 0.00 175.35 175.51 2g54 n GLU 365 N 4.20 1.01 0.00 4.03 0.28 -1.26 -1.68 120.64 127.22 2g54 n GLU 365 Ca -0.19 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 2g54 n GLU 365 Cb 0.51 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.93 2g54 n GLU 365 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2g54 n GLY 366 N 0.98 0.08 3.76 -1.84 0.00 -1.22 -4.73 105.19 102.21 2g54 n GLY 366 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 2g54 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g54 s ALA 367 N -2.00 -2.32 -0.28 4.61 0.00 -0.67 -4.96 121.76 116.15 2g54 s ALA 367 Ca 0.00 0.43 -0.33 0.00 0.00 0.00 0.00 51.96 52.07 2g54 s ALA 367 Cb 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.59 2g54 s ALA 367 CO 0.00 -1.09 2.17 0.54 0.00 0.00 0.00 175.76 177.38 2g54 n ARG 368 N -0.65 1.48 0.00 0.00 5.12 -1.26 -1.31 116.66 120.05 2g54 n ARG 368 Ca -0.04 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 2g54 n ARG 368 Cb 0.61 -2.74 0.00 0.00 -1.16 0.00 0.00 32.46 29.17 2g54 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2g54 n GLY 369 N 6.06 1.63 3.24 -0.13 0.00 -1.26 -0.49 105.19 114.24 2g54 n GLY 369 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2g54 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2g54 s PHE 370 N -1.78 -0.25 0.30 1.61 -0.12 -0.42 -3.80 117.98 113.52 2g54 s PHE 370 Ca 0.00 0.49 0.02 0.00 -0.05 0.00 0.00 56.93 57.39 2g54 s PHE 370 Cb 0.00 0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 2g54 s PHE 370 CO 0.00 -0.33 0.31 -1.64 -0.05 0.00 0.00 175.22 173.52 2g54 s MET 371 N -0.85 1.67 0.17 1.99 -1.94 -0.56 -1.67 119.30 118.11 2g54 s MET 371 Ca -0.09 -1.82 0.03 0.00 -1.71 0.00 0.00 55.69 52.09 2g54 s MET 371 Cb -0.04 0.36 -0.05 0.00 2.01 0.00 0.00 34.83 37.11 2g54 s MET 371 CO 0.03 -0.64 -0.03 -0.06 -0.01 0.00 0.00 175.02 174.32 2g54 s PHE 372 N -3.51 1.24 -0.08 -0.03 0.40 -0.67 -1.11 117.98 114.21 2g54 s PHE 372 Ca 0.36 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 2g54 s PHE 372 Cb 0.02 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.87 2g54 s PHE 372 CO 0.21 -0.11 -0.12 0.12 0.70 0.00 0.00 175.22 176.03 2g54 s PHE 373 N -3.54 1.53 0.25 0.36 2.19 0.22 -0.11 117.98 118.87 2g54 s PHE 373 Ca 0.22 -0.63 0.10 0.00 0.33 0.00 0.00 56.93 56.95 2g54 s PHE 373 Cb 0.05 -1.15 -0.05 0.00 -1.31 0.00 0.00 43.02 40.57 2g54 s PHE 373 CO 0.03 -0.35 -0.18 0.96 1.83 0.00 0.00 175.22 177.51 2g54 s ILE 374 N 0.91 2.20 -0.34 3.12 -4.36 0.41 -0.80 121.20 122.34 2g54 s ILE 374 Ca -0.10 -2.33 0.01 0.00 -0.26 0.00 0.00 60.65 57.97 2g54 s ILE 374 Cb -0.15 -2.20 0.14 0.00 1.25 0.00 0.00 42.46 41.50 2g54 s ILE 374 CO 0.01 -0.47 0.29 -0.63 0.24 0.00 0.00 174.94 174.38 2g54 s ILE 375 N -2.67 -0.22 -0.10 8.37 1.01 -0.60 -1.45 121.20 125.54 2g54 s ILE 375 Ca 0.27 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 2g54 s ILE 375 Cb -0.03 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2g54 s ILE 375 CO 0.12 -0.66 0.10 0.20 0.00 0.00 0.00 174.94 174.70 2g54 s ASN 376 N 1.66 6.03 0.03 3.58 0.01 0.21 -2.31 114.94 124.14 2g54 s ASN 376 Ca 0.14 0.36 -0.00 0.00 -0.71 0.00 0.00 52.86 52.65 2g54 s ASN 376 Cb -0.17 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 2g54 s ASN 376 CO -0.13 0.39 -0.03 0.54 -1.51 0.00 0.00 177.10 176.35 2g54 s VAL 377 N -1.01 0.15 0.56 1.60 0.11 -0.13 -0.45 120.40 121.23 2g54 s VAL 377 Ca 0.15 -1.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.02 2g54 s VAL 377 Cb -0.12 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.22 2g54 s VAL 377 CO 0.05 -0.56 1.00 -0.62 -3.33 0.00 0.00 175.10 171.63 2g54 s ASP 378 N -1.67 6.44 -0.08 3.54 2.15 -0.53 -1.19 116.67 125.33 2g54 s ASP 378 Ca -0.12 1.49 0.02 0.00 0.43 0.00 0.00 52.55 54.37 2g54 s ASP 378 Cb -0.07 -2.49 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 2g54 s ASP 378 CO -0.02 -0.71 -0.14 -0.76 -0.17 0.00 0.00 175.17 173.37 2g54 s LEU 379 N -4.56 1.71 0.79 -1.34 1.43 0.44 -4.27 118.68 112.87 2g54 s LEU 379 Ca 0.57 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2g54 s LEU 379 Cb -0.10 -0.94 0.13 0.00 0.03 0.00 0.00 46.19 45.31 2g54 s LEU 379 CO 0.41 0.05 1.10 0.28 0.23 0.00 0.00 176.35 178.42 2g54 s THR 380 N 0.67 2.14 0.23 5.49 -1.32 -0.58 -4.59 115.64 117.67 2g54 s THR 380 Ca -0.14 -0.33 -0.07 0.00 -1.21 0.00 0.00 61.69 59.94 2g54 s THR 380 Cb -0.16 -2.80 0.18 0.00 -1.51 0.00 0.00 72.50 68.20 2g54 s THR 380 CO 0.04 0.00 1.81 -0.33 -2.21 0.00 0.00 174.62 173.93 2g54 h GLU 381 N -0.89 1.20 -0.14 7.08 5.08 -1.88 -2.08 114.58 122.95 2g54 h GLU 381 Ca -0.41 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.55 2g54 h GLU 381 Cb 1.27 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.32 2g54 h GLU 381 CO 0.44 0.94 -0.75 0.93 -1.00 0.00 0.00 179.01 179.58 2g54 h GLU 382 N 1.18 0.75 -0.93 2.33 4.39 -1.91 -3.23 114.58 117.16 2g54 h GLU 382 Ca 0.28 -0.62 0.11 0.00 0.34 0.00 0.00 59.36 59.47 2g54 h GLU 382 Cb 0.15 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.86 2g54 h GLU 382 CO -0.03 1.23 0.60 0.78 -1.16 0.00 0.00 179.01 180.43 2g54 h GLY 383 N 0.46 1.40 1.74 -3.84 0.00 -1.63 0.14 103.07 101.33 2g54 h GLY 383 Ca -0.05 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 46.93 2g54 h GLY 383 CO 0.15 0.18 0.10 -2.00 0.00 0.00 0.00 176.54 174.97 2g54 h LEU 384 N 0.90 0.00 -0.64 3.11 5.85 -1.39 0.11 115.31 123.26 2g54 h LEU 384 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2g54 h LEU 384 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2g54 h LEU 384 CO -0.21 0.00 -0.31 0.18 -0.34 0.00 0.00 178.44 177.76 2g54 n LEU 385 N -4.17 1.30 -1.47 2.25 4.77 0.44 -4.18 117.00 115.94 2g54 n LEU 385 Ca -0.00 -0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 55.53 2g54 n LEU 385 Cb 0.21 -0.09 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2g54 n LEU 385 CO 0.31 0.24 0.21 1.41 -1.33 0.00 0.00 177.39 178.24 2g54 n HIS 386 N -0.47 1.07 -0.30 -1.77 8.25 0.36 -4.83 115.22 117.53 2g54 n HIS 386 Ca 0.12 -1.67 0.00 0.00 -0.26 0.00 0.00 57.72 55.91 2g54 n HIS 386 Cb 0.38 -0.26 0.14 0.00 1.12 0.00 0.00 29.99 31.36 2g54 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2g54 h VAL 387 N 2.82 1.04 -0.78 1.59 2.07 -1.63 0.14 116.25 121.51 2g54 h VAL 387 Ca 0.07 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2g54 h VAL 387 Cb 1.34 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 2g54 h VAL 387 CO 0.29 0.17 0.44 -0.08 0.02 0.00 0.00 177.57 178.41 2g54 h GLU 388 N 0.95 1.09 -0.48 1.57 4.81 -1.90 -0.76 114.58 119.86 2g54 h GLU 388 Ca 0.37 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2g54 h GLU 388 Cb 0.16 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2g54 h GLU 388 CO -0.17 0.80 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.30 2g54 h ASP 389 N 1.08 0.97 -0.13 1.04 3.32 -1.71 -1.70 116.42 119.30 2g54 h ASP 389 Ca 0.28 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.95 2g54 h ASP 389 Cb 0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 2g54 h ASP 389 CO -0.05 1.13 0.07 0.40 -1.72 0.00 0.00 179.24 179.08 2g54 h ILE 390 N 0.81 1.01 -0.53 0.35 2.04 -0.59 -0.67 117.51 119.93 2g54 h ILE 390 Ca 0.11 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 2g54 h ILE 390 Cb 0.74 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2g54 h ILE 390 CO 0.06 0.03 0.21 0.40 0.00 0.00 0.00 178.15 178.84 2g54 h ILE 391 N 0.15 1.20 -0.66 -0.67 2.04 -1.10 -1.07 117.51 117.41 2g54 h ILE 391 Ca 0.05 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2g54 h ILE 391 Cb 0.00 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2g54 h ILE 391 CO -0.03 0.24 0.38 0.25 0.00 0.00 0.00 178.15 179.00 2g54 h LEU 392 N 0.76 0.80 -1.18 1.44 5.85 -0.72 -1.51 115.31 120.74 2g54 h LEU 392 Ca 0.18 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2g54 h LEU 392 Cb 0.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2g54 h LEU 392 CO -0.02 0.64 0.09 0.45 -0.34 0.00 0.00 178.44 179.27 2g54 h HIS 393 N 0.90 0.68 -0.01 1.25 3.86 -0.24 -0.29 115.15 121.30 2g54 h HIS 393 Ca 0.23 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2g54 h HIS 393 Cb 0.00 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2g54 h HIS 393 CO -0.01 0.59 0.00 0.52 0.86 0.00 0.00 177.93 179.89 2g54 h MET 394 N 0.64 0.01 0.00 2.45 2.86 -0.26 -1.35 114.93 119.28 2g54 h MET 394 Ca 0.14 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2g54 h MET 394 Cb 0.27 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2g54 h MET 394 CO -0.00 0.03 -0.26 0.74 1.06 0.00 0.00 176.91 178.49 2g54 h PHE 395 N -0.02 0.00 -0.37 -0.22 -1.00 -0.93 -1.42 116.94 112.98 2g54 h PHE 395 Ca 0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 2g54 h PHE 395 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2g54 h PHE 395 CO -0.07 0.26 -0.30 1.96 -1.61 0.00 0.00 178.31 178.55 2g54 h GLN 396 N 0.00 0.80 -0.36 1.51 4.20 -0.59 0.45 115.11 121.12 2g54 h GLN 396 Ca -0.00 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.22 2g54 h GLN 396 Cb 0.56 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2g54 h GLN 396 CO 0.03 1.00 -0.25 -0.92 -0.67 0.00 0.00 178.83 178.02 2g54 h TYR 397 N 0.68 0.95 -0.77 2.96 3.20 -0.72 -1.82 116.97 121.45 2g54 h TYR 397 Ca 0.08 -0.26 -0.03 0.00 3.14 0.00 0.00 58.73 61.66 2g54 h TYR 397 Cb 0.84 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2g54 h TYR 397 CO 0.05 1.02 0.37 0.82 -1.64 0.00 0.00 178.16 178.78 2g54 h ILE 398 N 0.60 1.24 -0.08 1.81 2.04 -1.08 -1.47 117.51 120.57 2g54 h ILE 398 Ca 0.07 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2g54 h ILE 398 Cb 0.81 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2g54 h ILE 398 CO 0.07 0.29 -0.31 -0.61 0.00 0.00 0.00 178.15 177.59 2g54 h GLN 399 N 1.10 0.16 -0.24 2.37 5.75 -0.72 -1.79 115.11 121.74 2g54 h GLN 399 Ca 0.27 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 2g54 h GLN 399 Cb 0.12 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 2g54 h GLN 399 CO -0.03 0.46 -0.18 -0.22 -2.65 0.00 0.00 178.83 176.20 2g54 h LYS 400 N 0.14 0.41 -0.21 1.69 1.63 -0.40 -0.85 116.57 118.98 2g54 h LYS 400 Ca 0.02 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.53 2g54 h LYS 400 Cb 0.63 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 2g54 h LYS 400 CO 0.05 0.59 -0.54 -0.07 -3.45 0.00 0.00 179.45 176.02 2g54 h LEU 401 N 0.38 0.69 -0.40 5.20 3.38 -0.80 -1.66 115.31 122.09 2g54 h LEU 401 Ca 0.07 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2g54 h LEU 401 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2g54 h LEU 401 CO 0.04 1.09 -0.08 0.03 0.09 0.00 0.00 178.44 179.61 2g54 h ARG 402 N 0.48 0.77 -0.04 1.13 3.08 -0.99 0.14 114.38 118.94 2g54 h ARG 402 Ca 0.01 -0.28 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 2g54 h ARG 402 Cb 1.09 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2g54 h ARG 402 CO 0.11 0.89 -0.40 0.00 -1.07 0.00 0.00 179.97 179.49 2g54 h ALA 403 N 0.85 1.25 0.00 0.04 0.00 -1.10 -2.96 119.26 117.34 2g54 h ALA 403 Ca 0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2g54 h ALA 403 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2g54 h ALA 403 CO 0.04 0.54 -1.17 1.49 0.00 0.00 0.00 179.25 180.14 2g54 h GLU 404 N 0.08 0.00 -1.25 0.00 4.57 -1.20 -3.51 114.58 113.27 2g54 h GLU 404 Ca 0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2g54 h GLU 404 Cb 0.75 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 2g54 h GLU 404 CO 0.06 0.20 -0.45 0.41 -1.18 0.00 0.00 179.01 178.05 2g54 n GLY 405 N 1.31 -2.93 3.64 1.92 0.00 0.47 -4.86 105.19 104.73 2g54 n GLY 405 Ca -0.05 -1.29 -0.44 0.00 0.00 0.00 0.00 46.02 44.23 2g54 n GLY 405 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2g54 n PRO 406 N -2.76 1.69 -3.63 1.61 -0.04 -1.26 -4.94 135.00 125.66 2g54 n PRO 406 Ca -0.03 0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 63.63 2g54 n PRO 406 Cb 0.24 -2.09 -0.11 0.00 -0.04 0.00 0.00 33.50 31.49 2g54 n PRO 406 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2g54 s GLN 407 N -1.32 2.72 0.30 0.54 -1.52 -1.26 -4.97 119.66 114.14 2g54 s GLN 407 Ca 0.61 -1.20 0.04 0.00 -1.95 0.00 0.00 55.36 52.85 2g54 s GLN 407 Cb -0.67 -3.68 0.49 0.00 -0.22 0.00 0.00 33.01 28.93 2g54 s GLN 407 CO 0.58 -0.76 1.77 1.49 -0.25 0.00 0.00 175.29 178.13 2g54 h GLU 408 N 8.38 0.46 -0.16 2.91 4.81 -2.00 -2.58 114.58 126.40 2g54 h GLU 408 Ca -0.24 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 2g54 h GLU 408 Cb 1.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2g54 h GLU 408 CO 0.68 0.63 0.02 0.11 -0.73 0.00 0.00 179.01 179.71 2g54 h TRP 409 N 0.42 0.22 0.22 0.92 5.08 -1.98 0.16 115.95 120.99 2g54 h TRP 409 Ca 0.07 -0.01 -0.01 0.00 1.08 0.00 0.00 58.89 60.02 2g54 h TRP 409 Cb 0.57 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2g54 h TRP 409 CO 0.02 0.22 -0.11 0.28 -1.28 0.00 0.00 178.44 177.57 2g54 h VAL 410 N 0.23 0.85 -0.50 0.12 2.07 -1.90 -0.73 116.25 116.40 2g54 h VAL 410 Ca 0.06 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.11 2g54 h VAL 410 Cb 0.13 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.00 2g54 h VAL 410 CO 0.00 0.12 0.10 0.15 0.02 0.00 0.00 177.57 177.96 2g54 h PHE 411 N -0.58 0.15 -0.89 1.57 3.57 -1.18 -1.95 116.94 117.63 2g54 h PHE 411 Ca -0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2g54 h PHE 411 Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2g54 h PHE 411 CO 0.02 -0.01 0.49 0.37 -2.23 0.00 0.00 178.31 176.94 2g54 h GLN 412 N 0.23 1.24 -0.47 1.11 5.75 -0.59 0.48 115.11 122.85 2g54 h GLN 412 Ca 0.25 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2g54 h GLN 412 Cb 0.34 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2g54 h GLN 412 CO -0.33 0.90 0.26 1.49 -2.65 0.00 0.00 178.83 178.50 2g54 h GLU 413 N 1.24 0.66 -0.38 1.69 4.81 -0.41 0.22 114.58 122.40 2g54 h GLU 413 Ca 0.31 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2g54 h GLU 413 Cb 0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2g54 h GLU 413 CO -0.05 0.52 0.08 0.00 -0.73 0.00 0.00 179.01 178.83 2g54 h LYS 415 N 0.47 -0.05 -0.54 0.00 3.64 -0.58 0.29 116.57 119.79 2g54 h LYS 415 Ca 0.12 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2g54 h LYS 415 Cb 0.34 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2g54 h LYS 415 CO 0.00 -0.03 0.17 -0.44 -2.27 0.00 0.00 179.45 176.88 2g54 h ASP 416 N -0.05 0.74 -0.30 4.20 3.32 -0.86 -1.36 116.42 122.10 2g54 h ASP 416 Ca 0.10 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2g54 h ASP 416 Cb 0.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2g54 h ASP 416 CO -0.23 0.70 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.76 2g54 h LEU 417 N 0.79 0.67 -1.26 1.55 4.07 -0.51 -2.14 115.31 118.47 2g54 h LEU 417 Ca 0.18 -0.41 -0.04 0.00 0.08 0.00 0.00 57.88 57.68 2g54 h LEU 417 Cb 0.23 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 2g54 h LEU 417 CO -0.01 0.93 0.02 0.78 -1.08 0.00 0.00 178.44 179.09 2g54 h ASN 418 N 0.40 0.49 -0.57 -0.43 4.21 -0.18 0.27 115.58 119.77 2g54 h ASN 418 Ca 0.07 -0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.39 2g54 h ASN 418 Cb 0.69 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 2g54 h ASN 418 CO 0.05 0.55 -0.02 0.00 -1.29 0.00 0.00 177.43 176.71 2g54 h ALA 419 N 1.52 0.77 -0.26 -0.83 0.00 -1.07 0.71 119.26 120.10 2g54 h ALA 419 Ca 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2g54 h ALA 419 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2g54 h ALA 419 CO 0.01 0.63 -0.06 0.28 0.00 0.00 0.00 179.25 180.11 2g54 h VAL 420 N 0.91 1.28 -0.32 0.00 2.07 -0.76 -2.13 116.25 117.29 2g54 h VAL 420 Ca 0.16 -1.06 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2g54 h VAL 420 Cb 0.58 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2g54 h VAL 420 CO 0.03 0.33 0.21 0.00 0.02 0.00 0.00 177.57 178.17 2g54 h ALA 421 N 0.77 0.41 -0.71 1.67 0.00 -0.75 -1.30 119.26 119.34 2g54 h ALA 421 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2g54 h ALA 421 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2g54 h ALA 421 CO 0.02 -0.14 0.40 0.35 0.00 0.00 0.00 179.25 179.89 2g54 h PHE 422 N 0.43 0.97 0.01 0.00 3.57 -0.83 0.03 116.94 121.11 2g54 h PHE 422 Ca 0.12 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2g54 h PHE 422 Cb -0.04 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.39 2g54 h PHE 422 CO -0.06 0.68 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.60 2g54 h ARG 423 N 0.98 -0.01 -0.87 1.11 2.43 -1.07 -3.03 114.38 113.91 2g54 h ARG 423 Ca 0.25 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.18 2g54 h ARG 423 Cb 0.02 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 29.43 2g54 h ARG 423 CO -0.04 0.17 0.31 1.19 -1.51 0.00 0.00 179.97 180.09 2g54 n PHE 424 N -5.01 2.08 -1.76 2.20 3.01 -0.52 -4.32 117.46 113.15 2g54 n PHE 424 Ca -0.08 -1.16 -0.41 0.00 1.01 0.00 0.00 57.45 56.81 2g54 n PHE 424 Cb 0.11 -0.65 -0.01 0.00 -0.01 0.00 0.00 39.48 38.93 2g54 n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2g54 n LYS 425 N -0.28 2.73 -2.29 -1.08 4.81 -0.01 -4.96 118.16 117.08 2g54 n LYS 425 Ca 0.37 0.97 -0.38 0.00 -0.87 0.00 0.00 58.31 58.39 2g54 n LYS 425 Cb 1.25 -2.74 -0.02 0.00 0.02 0.00 0.00 35.03 33.54 2g54 n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2g54 s ASP 426 N 0.29 6.45 0.14 3.14 1.01 -1.26 -4.95 116.67 121.49 2g54 s ASP 426 Ca 0.60 2.34 -0.31 0.00 0.71 0.00 0.00 52.55 55.88 2g54 s ASP 426 Cb -0.48 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 40.74 2g54 s ASP 426 CO 0.54 -0.73 1.56 -0.75 0.21 0.00 0.00 175.17 176.00 2g54 s LYS 427 N -2.39 4.22 0.59 8.23 2.20 -1.26 -4.98 119.74 126.36 2g54 s LYS 427 Ca 0.58 2.33 -0.08 0.00 -0.36 0.00 0.00 55.97 58.44 2g54 s LYS 427 Cb -0.30 -3.23 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2g54 s LYS 427 CO 0.38 -0.61 0.94 -1.21 -0.36 0.00 0.00 175.35 174.48 2g54 s GLU 428 N 1.37 3.20 0.09 4.03 8.01 -1.26 -4.36 118.70 129.77 2g54 s GLU 428 Ca 0.70 0.29 -0.30 0.00 0.01 0.00 0.00 54.97 55.67 2g54 s GLU 428 Cb -0.42 -2.21 -0.05 0.00 -4.31 0.00 0.00 34.13 27.13 2g54 s GLU 428 CO 0.31 -0.62 0.97 1.03 0.01 0.00 0.00 175.26 176.97 2g54 s ARG 429 N -5.04 4.67 0.18 1.61 0.52 -1.26 -4.94 118.95 114.69 2g54 s ARG 429 Ca 0.53 1.46 -0.26 0.00 -0.52 0.00 0.00 55.73 56.94 2g54 s ARG 429 Cb -0.11 -3.39 0.05 0.00 0.52 0.00 0.00 34.95 32.02 2g54 s ARG 429 CO 0.48 0.15 1.55 -1.35 0.02 0.00 0.00 175.30 176.16 2g54 h PRO 430 N 5.82 -0.11 -0.17 3.54 0.11 -1.96 -1.15 132.00 138.07 2g54 h PRO 430 Ca -0.43 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.75 2g54 h PRO 430 Cb 1.21 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 2g54 h PRO 430 CO 0.73 -0.08 -0.28 -0.09 -0.21 0.00 0.00 178.00 178.07 2g54 h ARG 431 N -0.12 -0.32 -0.09 1.05 2.43 -1.89 -0.31 114.38 115.13 2g54 h ARG 431 Ca 0.21 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 2g54 h ARG 431 Cb 0.53 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2g54 h ARG 431 CO -0.83 -0.21 -0.33 0.78 -1.51 0.00 0.00 179.97 177.87 2g54 h GLY 432 N -0.33 0.19 0.79 2.80 0.00 -1.91 -2.74 103.07 101.87 2g54 h GLY 432 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2g54 h GLY 432 CO -0.36 0.14 -0.00 -1.82 0.00 0.00 0.00 176.54 174.50 2g54 h TYR 433 N 0.15 0.32 -0.54 5.60 3.20 -0.29 -2.05 116.97 123.36 2g54 h TYR 433 Ca 0.02 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.76 2g54 h TYR 433 Cb 0.67 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2g54 h TYR 433 CO 0.01 0.51 0.07 1.79 -1.64 0.00 0.00 178.16 178.90 2g54 h THR 434 N 0.03 1.26 -0.26 1.81 1.35 -1.06 -1.70 112.91 114.34 2g54 h THR 434 Ca 0.05 -0.99 0.01 0.00 -0.55 0.00 0.00 66.41 64.93 2g54 h THR 434 Cb 0.39 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 2g54 h THR 434 CO 0.01 0.36 0.15 -1.28 -0.25 0.00 0.00 175.52 174.51 2g54 h SER 435 N 0.79 0.25 -0.07 5.36 0.87 -1.47 0.27 113.55 119.55 2g54 h SER 435 Ca 0.16 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2g54 h SER 435 Cb 0.43 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2g54 h SER 435 CO 0.01 0.18 0.04 0.50 -0.53 0.00 0.00 176.83 177.03 2g54 h LYS 436 N 0.31 0.11 -0.59 2.24 1.63 -1.26 -2.75 116.57 116.26 2g54 h LYS 436 Ca 0.10 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 2g54 h LYS 436 Cb -0.00 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2g54 h LYS 436 CO -0.05 0.17 0.36 0.82 -3.45 0.00 0.00 179.45 177.30 2g54 h ILE 437 N 0.01 1.17 -0.19 2.00 2.04 -1.13 -1.41 117.51 120.00 2g54 h ILE 437 Ca 0.03 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2g54 h ILE 437 Cb 0.10 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2g54 h ILE 437 CO -0.00 0.18 0.15 0.00 0.00 0.00 0.00 178.15 178.47 2g54 h ALA 438 N 1.18 2.09 0.08 1.87 0.00 -0.85 -1.43 119.26 122.20 2g54 h ALA 438 Ca 0.21 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 2g54 h ALA 438 Cb -0.02 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2g54 h ALA 438 CO -0.04 -0.24 -0.71 0.78 0.00 0.00 0.00 179.25 179.03 2g54 h GLY 439 N 0.00 0.38 1.99 0.00 0.00 -0.98 -3.33 103.07 101.14 2g54 h GLY 439 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2g54 h GLY 439 CO -0.00 0.73 0.00 0.29 0.00 0.00 0.00 176.54 177.56 2g54 n ILE 440 N -4.17 0.07 0.25 2.60 -5.35 -0.84 -3.16 119.36 108.76 2g54 n ILE 440 Ca -0.12 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.49 2g54 n ILE 440 Cb 0.76 -0.54 0.59 0.00 -1.74 0.00 0.00 39.64 38.71 2g54 n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2g54 h LEU 441 N 0.00 0.00 0.00 7.28 3.38 -1.39 -0.64 115.31 123.94 2g54 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2g54 h LEU 441 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2g54 h LEU 441 CO 0.00 0.00 -0.30 0.45 0.09 0.00 0.00 178.44 178.68 2g54 h HIS 442 N 0.00 0.00 0.00 1.13 3.86 -1.77 -3.37 115.15 115.01 2g54 h HIS 442 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2g54 h HIS 442 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2g54 h HIS 442 CO 0.00 0.00 -1.10 0.66 0.86 0.00 0.00 177.93 178.35 2g54 n TYR 443 N -2.33 0.00 -4.16 2.45 4.02 -0.28 -5.05 117.16 111.82 2g54 n TYR 443 Ca 0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.76 2g54 n TYR 443 Cb 0.45 -0.14 -0.12 0.00 -0.02 0.00 0.00 39.34 39.52 2g54 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2g54 s TYR 444 N -2.36 1.10 0.69 -0.72 2.02 -1.03 -5.10 117.35 111.95 2g54 s TYR 444 Ca -0.01 -0.50 -0.17 0.00 -0.37 0.00 0.00 57.07 56.01 2g54 s TYR 444 Cb 0.06 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2g54 s TYR 444 CO 0.35 0.03 1.22 -2.30 -1.57 0.00 0.00 175.55 173.27 2g54 n PRO 445 N 1.15 0.84 -0.30 -1.71 -0.02 -1.26 -4.72 135.00 128.98 2g54 n PRO 445 Ca -0.20 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 2g54 n PRO 445 Cb 0.55 -2.46 0.26 0.00 -0.02 0.00 0.00 33.50 31.84 2g54 n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2g54 h LEU 446 N 0.14 -0.24 -1.26 2.45 4.07 -1.97 -1.00 115.31 117.50 2g54 h LEU 446 Ca -0.49 0.23 -0.07 0.00 0.08 0.00 0.00 57.88 57.63 2g54 h LEU 446 Cb 1.33 0.36 -0.01 0.00 1.08 0.00 0.00 40.66 43.43 2g54 h LEU 446 CO 0.51 -0.24 -0.32 -0.33 -1.08 0.00 0.00 178.44 176.98 2g54 h GLU 447 N 0.11 0.00 -0.21 1.13 3.07 -1.90 -3.18 114.58 113.60 2g54 h GLU 447 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2g54 h GLU 447 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2g54 h GLU 447 CO -0.75 0.32 0.00 0.39 -1.40 0.00 0.00 179.01 177.57 2g54 n GLU 448 N -3.74 2.37 -0.10 2.33 1.02 -0.41 -2.49 120.64 119.63 2g54 n GLU 448 Ca -0.01 -2.04 0.09 0.00 -0.02 0.00 0.00 57.16 55.18 2g54 n GLU 448 Cb 0.41 -1.49 0.44 0.00 -0.02 0.00 0.00 31.44 30.79 2g54 n GLU 448 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2g54 h VAL 449 N 4.41 0.98 0.00 2.62 3.04 -1.45 0.49 116.25 126.34 2g54 h VAL 449 Ca 0.00 -0.19 -0.19 0.00 -1.01 0.00 0.00 66.70 65.31 2g54 h VAL 449 Cb 0.95 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 30.59 2g54 h VAL 449 CO 0.00 0.10 -1.05 -0.07 -1.01 0.00 0.00 177.57 175.54 2g54 h LEU 450 N 0.55 0.00 0.00 3.16 4.07 -1.81 -3.38 115.31 117.90 2g54 h LEU 450 Ca 0.26 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.95 2g54 h LEU 450 Cb 0.33 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 2g54 h LEU 450 CO -0.08 0.83 -2.25 0.35 -1.08 0.00 0.00 178.44 176.22 2g54 n THR 451 N -3.22 1.05 -0.32 0.22 -2.24 -0.94 -4.70 114.28 104.12 2g54 n THR 451 Ca -0.03 -0.76 -0.09 0.00 -2.27 0.00 0.00 64.05 60.90 2g54 n THR 451 Cb 0.90 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 2g54 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g54 n ALA 452 N -2.61 -0.49 -0.76 6.98 0.00 0.17 -1.16 120.51 122.64 2g54 n ALA 452 Ca -0.25 0.66 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2g54 n ALA 452 Cb 1.00 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 20.44 2g54 n ALA 452 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2g54 n GLU 453 N -4.87 1.86 0.01 0.00 1.02 -1.26 -4.16 120.64 113.24 2g54 n GLU 453 Ca 0.02 -1.77 0.00 0.00 -0.02 0.00 0.00 57.16 55.39 2g54 n GLU 453 Cb 0.20 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2g54 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2g54 n TYR 454 N 0.01 -0.38 -3.42 -0.32 4.01 -0.31 -5.10 117.16 111.66 2g54 n TYR 454 Ca 0.34 0.05 -0.38 0.00 -0.16 0.00 0.00 57.90 57.75 2g54 n TYR 454 Cb 0.74 0.53 -0.06 0.00 -0.31 0.00 0.00 39.34 40.24 2g54 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2g54 s LEU 455 N -5.17 4.38 0.17 7.72 1.43 -0.47 -4.72 118.68 122.02 2g54 s LEU 455 Ca 0.00 0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 53.94 2g54 s LEU 455 Cb 0.00 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2g54 s LEU 455 CO 0.00 0.17 0.40 -0.76 0.23 0.00 0.00 176.35 176.39 2g54 s LEU 456 N -0.27 4.24 0.00 1.79 1.43 -1.26 -4.86 118.68 119.74 2g54 s LEU 456 Ca 0.24 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2g54 s LEU 456 Cb -0.16 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2g54 s LEU 456 CO 0.12 0.01 0.00 -0.62 0.23 0.00 0.00 176.35 176.08 2g54 n GLU 457 N -0.16 0.00 -4.46 1.70 -0.58 0.03 -4.99 120.64 112.19 2g54 n GLU 457 Ca -0.03 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.40 2g54 n GLU 457 Cb 0.52 -0.01 -0.11 0.00 -0.57 0.00 0.00 31.44 31.27 2g54 n GLU 457 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2g54 s GLU 458 N -0.49 2.42 -0.20 3.49 -1.05 -1.23 -5.03 118.70 116.60 2g54 s GLU 458 Ca 0.00 -0.81 -0.27 0.00 -0.15 0.00 0.00 54.97 53.74 2g54 s GLU 458 Cb 0.00 -2.42 -0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2g54 s GLU 458 CO 0.00 0.58 0.94 0.12 0.95 0.00 0.00 175.26 177.85 2g54 s PHE 459 N -1.02 3.37 -0.73 4.83 5.36 -1.26 -4.19 117.98 124.33 2g54 s PHE 459 Ca 0.17 1.36 0.04 0.00 -0.96 0.00 0.00 56.93 57.54 2g54 s PHE 459 Cb -0.11 -3.15 0.19 0.00 -0.34 0.00 0.00 43.02 39.61 2g54 s PHE 459 CO 0.08 -0.38 0.59 0.54 -1.46 0.00 0.00 175.22 174.59 2g54 n ARG 460 N 5.85 2.10 -0.18 10.12 5.12 -1.26 -4.92 116.66 133.49 2g54 n ARG 460 Ca 0.08 -4.52 0.12 0.00 -1.93 0.00 0.00 57.85 51.60 2g54 n ARG 460 Cb 0.47 -2.31 0.44 0.00 -1.16 0.00 0.00 32.46 29.90 2g54 n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2g54 h PRO 461 N 5.30 0.54 -0.56 5.56 0.13 -1.98 -1.73 132.00 139.26 2g54 h PRO 461 Ca 0.16 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2g54 h PRO 461 Cb 0.74 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.73 2g54 h PRO 461 CO 0.76 0.36 0.19 0.38 -0.23 0.00 0.00 178.00 179.46 2g54 h ASP 462 N 0.56 0.77 0.25 1.44 -0.00 -1.99 -1.02 116.42 116.42 2g54 h ASP 462 Ca 0.36 -0.11 -0.19 0.00 -0.00 0.00 0.00 57.03 57.08 2g54 h ASP 462 Cb 0.63 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.75 2g54 h ASP 462 CO -0.13 0.72 -0.77 -0.07 -0.00 0.00 0.00 179.24 178.99 2g54 h LEU 463 N 0.82 0.51 -0.37 0.15 3.38 -1.75 -1.96 115.31 116.08 2g54 h LEU 463 Ca 0.19 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2g54 h LEU 463 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2g54 h LEU 463 CO -0.01 1.10 0.13 0.40 0.09 0.00 0.00 178.44 180.16 2g54 h ILE 464 N 0.28 1.20 -0.32 1.22 2.04 -1.05 -1.59 117.51 119.30 2g54 h ILE 464 Ca -0.04 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.13 2g54 h ILE 464 Cb 1.35 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2g54 h ILE 464 CO 0.13 0.23 -0.03 -0.33 0.00 0.00 0.00 178.15 178.15 2g54 h GLU 465 N 0.46 0.50 -0.74 2.37 5.08 -1.17 0.12 114.58 121.20 2g54 h GLU 465 Ca 0.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2g54 h GLU 465 Cb 0.22 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2g54 h GLU 465 CO -0.01 0.55 0.30 1.98 -1.00 0.00 0.00 179.01 180.84 2g54 h MET 466 N 0.48 1.10 -0.08 2.33 4.05 -0.80 -0.97 114.93 121.03 2g54 h MET 466 Ca 0.10 -0.19 -0.21 0.00 -0.28 0.00 0.00 59.70 59.12 2g54 h MET 466 Cb 0.36 -0.18 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 2g54 h MET 466 CO 0.01 0.89 -0.77 0.28 0.23 0.00 0.00 176.91 177.56 2g54 h VAL 467 N 1.06 1.32 -0.38 -5.77 2.07 -0.85 -3.16 116.25 110.53 2g54 h VAL 467 Ca 0.25 -2.03 0.04 0.00 0.82 0.00 0.00 66.70 65.78 2g54 h VAL 467 Cb 0.20 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2g54 h VAL 467 CO -0.02 0.63 0.26 0.25 0.02 0.00 0.00 177.57 178.70 2g54 h LEU 468 N 0.32 0.30 -0.55 2.57 6.46 -0.79 0.58 115.31 124.20 2g54 h LEU 468 Ca -0.07 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 2g54 h LEU 468 Cb 1.42 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2g54 h LEU 468 CO 0.16 0.21 0.00 -0.67 -0.62 0.00 0.00 178.44 177.51 2g54 n ASP 469 N -4.48 0.54 0.11 1.25 2.03 -0.39 -2.01 116.55 113.61 2g54 n ASP 469 Ca 0.04 0.63 0.11 0.00 0.52 0.00 0.00 54.79 56.09 2g54 n ASP 469 Cb 0.19 -0.75 0.01 0.00 -0.72 0.00 0.00 41.12 39.86 2g54 n ASP 469 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2g54 h LYS 470 N 0.00 0.00 -3.51 -0.67 1.79 -0.94 -3.40 116.57 109.83 2g54 h LYS 470 Ca 0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 2g54 h LYS 470 Cb 0.35 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 30.89 2g54 h LYS 470 CO 0.00 0.01 2.42 1.28 -1.08 0.00 0.00 179.45 182.08 2g54 n LEU 471 N -2.73 6.94 -4.32 2.94 4.77 -0.85 -4.79 117.00 118.96 2g54 n LEU 471 Ca 0.00 -4.53 -0.22 0.00 -0.03 0.00 0.00 56.01 51.23 2g54 n LEU 471 Cb 0.56 -1.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 2g54 n LEU 471 CO 0.40 1.41 -0.49 -0.13 -1.33 0.00 0.00 177.39 177.25 2g54 s ARG 472 N 1.01 1.23 0.29 3.23 0.52 -1.26 -5.04 118.95 118.92 2g54 s ARG 472 Ca 0.44 -1.35 0.04 0.00 -0.52 0.00 0.00 55.73 54.34 2g54 s ARG 472 Cb 0.12 -1.31 0.73 0.00 0.52 0.00 0.00 34.95 35.00 2g54 s ARG 472 CO -0.03 0.27 1.69 -1.35 0.02 0.00 0.00 175.30 175.91 2g54 h PRO 473 N 3.43 0.37 0.00 3.54 0.11 -1.90 0.46 132.00 138.02 2g54 h PRO 473 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2g54 h PRO 473 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2g54 h PRO 473 CO 0.49 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 2g54 n GLU 474 N -5.06 0.07 -0.11 1.05 0.00 -1.26 -2.12 120.64 113.22 2g54 n GLU 474 Ca 0.22 0.25 0.04 0.00 0.00 0.00 0.00 57.16 57.67 2g54 n GLU 474 Cb 0.66 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.69 2g54 n GLU 474 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2g54 n ASN 475 N -1.41 2.52 -4.89 -1.84 5.03 0.14 -4.41 115.26 110.41 2g54 n ASN 475 Ca 0.04 -2.21 -0.31 0.00 0.87 0.00 0.00 54.58 52.97 2g54 n ASN 475 Cb 0.11 -0.17 -0.04 0.00 -1.02 0.00 0.00 39.78 38.65 2g54 n ASN 475 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2g54 s VAL 476 N -1.37 4.96 -0.04 2.41 0.11 -0.90 -4.15 120.40 121.42 2g54 s VAL 476 Ca 0.15 0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 2g54 s VAL 476 Cb 0.10 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2g54 s VAL 476 CO 0.06 -0.20 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.39 2g54 s ARG 477 N -3.17 1.32 -0.04 1.54 0.52 -0.21 0.36 118.95 119.26 2g54 s ARG 477 Ca 0.46 -0.39 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 2g54 s ARG 477 Cb -0.11 -1.17 0.00 0.00 0.52 0.00 0.00 34.95 34.20 2g54 s ARG 477 CO 0.25 0.12 -0.13 0.54 0.02 0.00 0.00 175.30 176.10 2g54 s VAL 478 N 0.30 1.11 -0.03 3.52 0.11 -0.52 -0.91 120.40 123.97 2g54 s VAL 478 Ca -0.06 -0.52 0.04 0.00 -2.93 0.00 0.00 61.98 58.50 2g54 s VAL 478 Cb -0.11 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 2g54 s VAL 478 CO 0.02 0.34 -0.13 0.00 -3.33 0.00 0.00 175.10 171.99 2g54 s ALA 479 N 0.28 1.19 -0.12 1.54 0.00 0.09 -0.11 121.76 124.63 2g54 s ALA 479 Ca -0.07 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2g54 s ALA 479 Cb -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2g54 s ALA 479 CO 0.02 0.22 -0.21 0.42 0.00 0.00 0.00 175.76 176.21 2g54 s ILE 480 N 0.06 1.92 -0.21 0.00 1.01 0.18 -0.12 121.20 124.04 2g54 s ILE 480 Ca -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 2g54 s ILE 480 Cb -0.09 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.65 2g54 s ILE 480 CO 0.01 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.79 2g54 s VAL 481 N 0.71 3.97 -0.27 2.92 1.01 0.22 -0.36 120.40 128.60 2g54 s VAL 481 Ca -0.10 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 2g54 s VAL 481 Cb -0.16 -2.81 0.13 0.00 0.00 0.00 0.00 36.38 33.55 2g54 s VAL 481 CO 0.01 0.42 1.08 -0.55 0.00 0.00 0.00 175.10 176.06 2g54 s SER 482 N 1.11 -0.39 0.59 3.32 0.15 -0.42 -1.69 113.70 116.38 2g54 s SER 482 Ca 0.03 0.72 0.36 0.00 0.70 0.00 0.00 55.95 57.75 2g54 s SER 482 Cb -0.14 0.71 1.86 0.00 -1.71 0.00 0.00 66.02 66.74 2g54 s SER 482 CO 0.02 -0.15 2.19 0.11 1.20 0.00 0.00 173.24 176.61 2g54 h LYS 483 N 3.88 0.00 0.00 5.44 1.79 -1.83 -2.31 116.57 123.53 2g54 h LYS 483 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2g54 h LYS 483 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2g54 h LYS 483 CO 0.14 0.03 0.00 -1.13 -1.08 0.00 0.00 179.45 177.42 2g54 n SER 484 N -3.32 0.00 -0.92 0.86 3.41 -1.26 -0.34 113.62 112.04 2g54 n SER 484 Ca -0.02 0.35 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 2g54 n SER 484 Cb 0.17 -0.35 0.10 0.00 -0.26 0.00 0.00 64.21 63.87 2g54 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2g54 n PHE 485 N -1.35 0.01 -1.68 7.33 0.99 -0.87 -4.90 117.46 117.00 2g54 n PHE 485 Ca 0.00 -0.01 -0.46 0.00 -0.00 0.00 0.00 57.45 56.98 2g54 n PHE 485 Cb 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.44 2g54 n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2g54 n GLU 486 N 1.30 2.36 -0.80 -1.08 4.07 0.54 -0.66 120.64 126.36 2g54 n GLU 486 Ca 0.14 0.86 0.00 0.00 -0.06 0.00 0.00 57.16 58.10 2g54 n GLU 486 Cb 0.58 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.24 2g54 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2g54 n GLY 487 N 4.22 0.86 0.27 8.31 0.00 -1.26 -4.87 105.19 112.73 2g54 n GLY 487 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 2g54 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g54 n LYS 488 N -2.11 2.61 -4.04 1.61 4.01 0.16 -5.03 118.16 115.37 2g54 n LYS 488 Ca 0.00 -2.01 -0.27 0.00 -0.51 0.00 0.00 58.31 55.51 2g54 n LYS 488 Cb 0.00 -1.27 -0.05 0.00 -0.51 0.00 0.00 35.03 33.20 2g54 n LYS 488 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2g54 s THR 489 N -1.60 4.69 0.00 -0.18 -4.23 -1.24 -4.86 115.64 108.22 2g54 s THR 489 Ca 0.17 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2g54 s THR 489 Cb 0.13 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2g54 s THR 489 CO 0.05 -0.04 0.70 -0.90 -0.54 0.00 0.00 174.62 173.90 2g54 n ASP 490 N -0.16 1.22 -4.29 3.99 5.68 -1.06 -4.92 116.55 117.00 2g54 n ASP 490 Ca -0.08 -1.49 -0.18 0.00 -0.50 0.00 0.00 54.79 52.54 2g54 n ASP 490 Cb 0.54 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.41 2g54 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2g54 s ARG 491 N -0.49 1.17 -0.04 0.11 0.52 -0.01 -5.03 118.95 115.19 2g54 s ARG 491 Ca 0.00 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 53.78 2g54 s ARG 491 Cb 0.00 -0.99 0.03 0.00 0.52 0.00 0.00 34.95 34.51 2g54 s ARG 491 CO 0.00 0.17 0.03 0.95 0.02 0.00 0.00 175.30 176.48 2g54 s THR 492 N -2.63 0.01 0.08 0.02 -4.23 -1.26 -1.79 115.64 105.84 2g54 s THR 492 Ca 0.16 0.28 -0.31 0.00 -1.18 0.00 0.00 61.69 60.64 2g54 s THR 492 Cb -0.02 -0.19 -0.07 0.00 1.34 0.00 0.00 72.50 73.56 2g54 s THR 492 CO 0.04 0.16 1.30 -0.70 -0.54 0.00 0.00 174.62 174.88 2g54 s GLU 493 N 1.64 4.37 0.14 3.99 -6.30 0.69 -4.89 118.70 118.34 2g54 s GLU 493 Ca -0.02 1.92 -0.28 0.00 -2.50 0.00 0.00 54.97 54.10 2g54 s GLU 493 Cb -0.13 -3.33 -0.03 0.00 0.00 0.00 0.00 34.13 30.65 2g54 s GLU 493 CO -0.03 -0.37 1.58 0.93 0.02 0.00 0.00 175.26 177.39 2g54 h GLU 494 N 6.91 -0.40 0.00 4.30 3.07 -1.95 0.18 114.58 126.69 2g54 h GLU 494 Ca -0.41 0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.34 2g54 h GLU 494 Cb 1.21 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 2g54 h GLU 494 CO 0.84 -0.26 -0.64 -1.49 -1.40 0.00 0.00 179.01 176.06 2g54 h TRP 495 N -0.41 0.00 0.00 4.33 4.06 -1.99 -3.37 115.95 118.57 2g54 h TRP 495 Ca 0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2g54 h TRP 495 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 2g54 h TRP 495 CO -0.55 0.64 -1.27 0.66 -3.56 0.00 0.00 178.44 174.36 2g54 n TYR 496 N -3.34 0.00 -0.61 0.49 4.02 -1.23 -5.01 117.16 111.48 2g54 n TYR 496 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2g54 n TYR 496 Cb 0.75 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 2g54 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g54 n GLY 497 N 2.16 0.68 3.66 2.72 0.00 0.63 -4.93 105.19 110.12 2g54 n GLY 497 Ca -0.01 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.42 2g54 n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g54 n THR 498 N -2.61 0.10 -3.21 2.61 -1.04 -1.24 -4.48 114.28 104.42 2g54 n THR 498 Ca 0.00 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 2g54 n THR 498 Cb 0.00 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 66.97 2g54 n THR 498 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2g54 s GLN 499 N 1.42 4.27 0.33 -2.82 2.00 -1.26 -0.22 119.66 123.38 2g54 s GLN 499 Ca 0.82 0.54 -0.17 0.00 -2.00 0.00 0.00 55.36 54.55 2g54 s GLN 499 Cb -0.73 -3.52 0.03 0.00 0.80 0.00 0.00 33.01 29.59 2g54 s GLN 499 CO 0.42 -0.06 0.73 1.52 -0.50 0.00 0.00 175.29 177.39 2g54 s TYR 500 N 1.33 0.07 -0.00 1.67 1.13 -0.74 -1.52 117.35 119.29 2g54 s TYR 500 Ca 0.27 -0.62 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 2g54 s TYR 500 Cb -0.16 0.70 0.00 0.00 -1.10 0.00 0.00 41.96 41.40 2g54 s TYR 500 CO 0.11 -1.38 -0.02 0.21 -2.51 0.00 0.00 175.55 171.96 2g54 s LYS 501 N -3.08 0.15 -0.01 -3.49 2.20 -0.09 -0.83 119.74 114.58 2g54 s LYS 501 Ca 0.15 -0.05 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 2g54 s LYS 501 Cb -0.05 -0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.09 2g54 s LYS 501 CO 0.10 0.02 -0.23 -1.14 -0.36 0.00 0.00 175.35 173.75 2g54 s GLN 502 N 0.05 2.16 -0.05 4.03 0.74 -1.26 -1.41 119.66 123.91 2g54 s GLN 502 Ca -0.00 -0.90 -0.25 0.00 0.05 0.00 0.00 55.36 54.25 2g54 s GLN 502 Cb -0.02 -2.12 0.05 0.00 1.10 0.00 0.00 33.01 32.03 2g54 s GLN 502 CO -0.00 0.57 0.55 -1.83 -0.55 0.00 0.00 175.29 174.03 2g54 s GLU 503 N -0.78 0.91 0.19 1.67 -1.05 -0.42 -5.00 118.70 114.21 2g54 s GLU 503 Ca 0.11 0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 54.78 2g54 s GLU 503 Cb -0.10 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.93 2g54 s GLU 503 CO 0.00 -0.26 1.07 0.00 0.95 0.00 0.00 175.26 177.02 2g54 s ALA 504 N -1.13 3.36 -0.00 -0.84 0.00 -1.26 0.39 121.76 122.27 2g54 s ALA 504 Ca -0.11 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.33 2g54 s ALA 504 Cb -0.02 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2g54 s ALA 504 CO 0.07 -0.14 1.30 0.42 0.00 0.00 0.00 175.76 177.42 2g54 s ILE 505 N -0.43 3.92 0.46 0.00 1.01 -0.17 -4.83 121.20 121.17 2g54 s ILE 505 Ca 0.48 1.30 -0.24 0.00 0.00 0.00 0.00 60.65 62.19 2g54 s ILE 505 Cb -0.29 -3.84 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 2g54 s ILE 505 CO 0.35 0.02 1.34 -0.81 0.00 0.00 0.00 174.94 175.84 2g54 n PRO 506 N 5.04 1.98 -0.10 2.79 -0.04 -1.26 -4.83 135.00 138.59 2g54 n PRO 506 Ca 0.12 0.71 0.17 0.00 -0.04 0.00 0.00 63.50 64.46 2g54 n PRO 506 Cb 0.45 -2.51 0.57 0.00 -0.04 0.00 0.00 33.50 31.97 2g54 n PRO 506 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2g54 h ASP 507 N 2.00 0.25 -0.92 3.54 5.19 -1.99 0.02 116.42 124.50 2g54 h ASP 507 Ca -0.50 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 55.96 2g54 h ASP 507 Cb 1.29 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.71 2g54 h ASP 507 CO 0.59 0.13 0.61 -0.08 -3.12 0.00 0.00 179.24 177.37 2g54 h GLU 508 N 0.26 1.13 -0.12 3.56 4.57 -1.99 0.16 114.58 122.15 2g54 h GLU 508 Ca 0.32 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.29 2g54 h GLU 508 Cb 0.88 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2g54 h GLU 508 CO -0.07 0.75 -0.46 0.28 -1.18 0.00 0.00 179.01 178.32 2g54 h VAL 509 N 1.16 1.36 -0.30 0.32 2.07 -1.35 -2.55 116.25 116.96 2g54 h VAL 509 Ca 0.37 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2g54 h VAL 509 Cb 0.01 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2g54 h VAL 509 CO -0.11 0.53 0.10 0.40 0.02 0.00 0.00 177.57 178.51 2g54 h ILE 510 N 0.13 1.20 -0.86 4.57 2.04 -1.12 -1.64 117.51 121.83 2g54 h ILE 510 Ca -0.02 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2g54 h ILE 510 Cb 1.09 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 2g54 h ILE 510 CO 0.10 0.22 0.55 0.50 0.00 0.00 0.00 178.15 179.52 2g54 h LYS 511 N 0.33 1.05 -0.61 2.37 3.64 -0.76 0.93 116.57 123.52 2g54 h LYS 511 Ca 0.10 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2g54 h LYS 511 Cb 0.24 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2g54 h LYS 511 CO -0.00 0.69 0.28 -0.22 -2.27 0.00 0.00 179.45 177.93 2g54 h LYS 512 N 1.08 0.89 -0.34 1.90 1.63 -1.17 -2.14 116.57 118.42 2g54 h LYS 512 Ca 0.34 -0.14 -0.09 0.00 -0.85 0.00 0.00 60.65 59.91 2g54 h LYS 512 Cb -0.01 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 2g54 h LYS 512 CO -0.11 0.73 -0.15 -1.49 -3.45 0.00 0.00 179.45 174.98 2g54 h TRP 513 N 0.84 0.67 0.00 1.91 6.55 -0.56 -2.69 115.95 122.67 2g54 h TRP 513 Ca 0.21 -0.12 -0.05 0.00 0.95 0.00 0.00 58.89 59.87 2g54 h TRP 513 Cb 0.15 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 2g54 h TRP 513 CO 0.00 0.73 -0.25 1.96 -1.05 0.00 0.00 178.44 179.83 2g54 h GLN 514 N 0.55 0.00 -0.71 0.49 4.20 -0.39 -2.45 115.11 116.80 2g54 h GLN 514 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2g54 h GLN 514 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2g54 h GLN 514 CO 0.04 0.25 0.00 0.09 -0.67 0.00 0.00 178.83 178.54 2g54 n ASN 515 N -3.92 3.87 -4.67 1.46 3.02 -0.85 -4.94 115.26 109.24 2g54 n ASN 515 Ca -0.02 -2.53 -0.45 0.00 -0.03 0.00 0.00 54.58 51.55 2g54 n ASN 515 Cb 0.33 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 2g54 n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g54 n ALA 516 N 0.45 1.26 -2.96 5.41 0.00 -0.93 -4.98 120.51 118.77 2g54 n ALA 516 Ca 0.17 0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2g54 n ALA 516 Cb 0.81 -2.60 0.06 0.00 0.00 0.00 0.00 19.45 17.71 2g54 n ALA 516 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2g54 n ASP 517 N 7.18 1.53 -4.75 0.00 3.85 -1.26 -4.84 116.55 118.27 2g54 n ASP 517 Ca 0.21 -2.13 -0.41 0.00 -0.71 0.00 0.00 54.79 51.75 2g54 n ASP 517 Cb 0.36 -0.35 -0.04 0.00 -1.35 0.00 0.00 41.12 39.74 2g54 n ASP 517 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2g54 s LEU 518 N 0.00 4.53 -0.26 -2.12 1.43 -1.26 -4.66 118.68 116.33 2g54 s LEU 518 Ca 0.47 2.15 -0.04 0.00 -1.03 0.00 0.00 54.13 55.68 2g54 s LEU 518 Cb -0.04 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.58 2g54 s LEU 518 CO 0.30 -0.15 0.01 0.21 0.23 0.00 0.00 176.35 176.95 2g54 s ASN 519 N -0.54 4.68 0.65 2.29 3.84 -1.26 -4.98 114.94 119.62 2g54 s ASN 519 Ca 0.46 -0.68 0.27 0.00 0.21 0.00 0.00 52.86 53.12 2g54 s ASN 519 Cb -0.30 -1.78 1.43 0.00 -0.55 0.00 0.00 41.25 40.05 2g54 s ASN 519 CO 0.37 -0.13 1.81 1.23 -2.79 0.00 0.00 177.10 177.60 2g54 h GLY 520 N 8.13 0.00 2.00 1.21 0.00 -2.01 0.56 103.07 112.96 2g54 h GLY 520 Ca -0.34 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2g54 h GLY 520 CO 0.59 0.00 -0.16 0.50 0.00 0.00 0.00 176.54 177.47 2g54 h LYS 521 N 0.00 0.00 -5.45 4.80 1.79 -1.96 -3.43 116.57 112.32 2g54 h LYS 521 Ca 0.04 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.91 2g54 h LYS 521 Cb 0.90 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.45 2g54 h LYS 521 CO -0.00 0.16 -0.32 -0.06 -1.08 0.00 0.00 179.45 178.15 2g54 s PHE 522 N -3.69 3.44 0.04 -1.35 2.99 0.18 -4.55 117.98 115.04 2g54 s PHE 522 Ca 0.01 0.57 -0.05 0.00 0.00 0.00 0.00 56.93 57.45 2g54 s PHE 522 Cb 0.10 -2.36 -0.01 0.00 0.00 0.00 0.00 43.02 40.75 2g54 s PHE 522 CO 0.61 0.19 0.08 0.15 -0.00 0.00 0.00 175.22 176.25 2g54 s LYS 523 N 0.64 0.57 0.73 0.44 1.02 -0.58 -4.90 119.74 117.66 2g54 s LYS 523 Ca 0.16 -0.77 -0.13 0.00 0.02 0.00 0.00 55.97 55.25 2g54 s LYS 523 Cb -0.13 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.44 2g54 s LYS 523 CO 0.04 -0.14 1.12 -0.51 -0.92 0.00 0.00 175.35 174.95 2g54 s LEU 524 N -2.12 3.23 0.76 3.17 2.01 -1.26 -4.30 118.68 120.17 2g54 s LEU 524 Ca -0.05 2.03 -0.14 0.00 0.01 0.00 0.00 54.13 55.98 2g54 s LEU 524 Cb -0.01 -4.55 0.06 0.00 0.01 0.00 0.00 46.19 41.69 2g54 s LEU 524 CO -0.05 -1.99 1.19 -2.84 1.01 0.00 0.00 176.35 173.68 2g54 s PRO 525 N -4.33 1.98 0.55 1.29 0.02 -1.26 -4.94 135.00 128.31 2g54 s PRO 525 Ca 0.67 1.71 -0.03 0.00 0.02 0.00 0.00 61.00 63.37 2g54 s PRO 525 Cb -0.21 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.50 2g54 s PRO 525 CO 0.48 -1.94 0.81 0.95 -0.33 0.00 0.00 177.00 176.96 2g54 s THR 526 N -2.12 3.45 0.26 0.99 -4.23 -1.26 -5.01 115.64 107.72 2g54 s THR 526 Ca 0.73 -0.32 -0.31 0.00 -1.18 0.00 0.00 61.69 60.61 2g54 s THR 526 Cb -0.28 -3.33 -0.13 0.00 1.34 0.00 0.00 72.50 70.10 2g54 s THR 526 CO 0.48 -0.29 1.41 1.17 -0.54 0.00 0.00 174.62 176.85 2g54 n LYS 527 N -2.40 2.11 -2.41 3.99 3.00 -1.26 -4.87 118.16 116.32 2g54 n LYS 527 Ca 0.04 0.75 -0.43 0.00 -0.00 0.00 0.00 58.31 58.68 2g54 n LYS 527 Cb 0.58 -2.41 -0.02 0.00 0.00 0.00 0.00 35.03 33.18 2g54 n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2g54 s ASN 528 N 0.25 6.36 0.00 3.14 3.84 -1.26 -4.87 114.94 122.40 2g54 s ASN 528 Ca 0.66 0.67 0.22 0.00 0.21 0.00 0.00 52.86 54.63 2g54 s ASN 528 Cb -0.62 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 38.54 2g54 s ASN 528 CO 0.51 -1.44 1.69 -0.62 -2.79 0.00 0.00 177.10 174.45 2g54 n GLU 529 N 8.12 1.45 0.00 0.43 1.02 -1.26 -3.51 120.64 126.89 2g54 n GLU 529 Ca 0.15 -0.67 0.12 0.00 -0.02 0.00 0.00 57.16 56.75 2g54 n GLU 529 Cb 0.48 -1.39 0.25 0.00 -0.02 0.00 0.00 31.44 30.77 2g54 n GLU 529 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2g54 n PHE 530 N -0.13 0.00 -1.66 -0.32 3.01 -1.26 -4.93 117.46 112.16 2g54 n PHE 530 Ca 0.17 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 58.15 2g54 n PHE 530 Cb 0.24 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.59 2g54 n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2g54 n ILE 531 N -0.37 0.15 -2.54 4.37 5.41 -1.23 -4.85 119.36 120.30 2g54 n ILE 531 Ca 0.12 -0.03 -0.39 0.00 1.00 0.00 0.00 62.75 63.45 2g54 n ILE 531 Cb 0.39 -1.48 -0.04 0.00 -0.71 0.00 0.00 39.64 37.80 2g54 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2g54 s PRO 532 N 1.68 4.50 0.00 0.38 0.04 -1.26 -4.95 135.00 135.39 2g54 s PRO 532 Ca 0.84 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.53 2g54 s PRO 532 Cb -0.75 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2g54 s PRO 532 CO 0.44 0.13 0.00 0.25 0.04 0.00 0.00 177.00 177.86 2g54 n THR 533 N 0.77 0.00 -3.70 1.26 -2.24 -1.26 -4.99 114.28 104.11 2g54 n THR 533 Ca 0.01 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.26 2g54 n THR 533 Cb 0.47 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.40 2g54 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2g54 s ASN 534 N -0.48 5.40 -0.24 3.42 2.47 -1.26 -4.92 114.94 119.32 2g54 s ASN 534 Ca 0.00 -1.61 0.12 0.00 0.42 0.00 0.00 52.86 51.80 2g54 s ASN 534 Cb 0.00 -1.90 0.52 0.00 -1.45 0.00 0.00 41.25 38.43 2g54 s ASN 534 CO 0.00 -0.49 1.46 0.49 -3.72 0.00 0.00 177.10 174.84 2g54 n PHE 535 N 4.78 1.09 -2.02 0.43 3.01 -1.26 -4.46 117.46 119.02 2g54 n PHE 535 Ca -0.08 -1.27 -0.42 0.00 1.01 0.00 0.00 57.45 56.69 2g54 n PHE 535 Cb 0.43 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 2g54 n PHE 535 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2g54 s GLU 536 N -3.05 4.27 -0.55 -1.08 2.12 -1.26 -4.65 118.70 114.50 2g54 s GLU 536 Ca 0.44 2.27 -0.18 0.00 0.36 0.00 0.00 54.97 57.86 2g54 s GLU 536 Cb 0.38 -3.14 0.09 0.00 0.26 0.00 0.00 34.13 31.71 2g54 s GLU 536 CO 0.05 -0.46 0.63 0.42 -0.54 0.00 0.00 175.26 175.35 2g54 s ILE 537 N 0.45 4.91 0.28 -3.70 -1.09 -1.26 -4.89 121.20 115.91 2g54 s ILE 537 Ca 0.63 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.87 2g54 s ILE 537 Cb -0.41 -4.38 -0.14 0.00 -1.58 0.00 0.00 42.46 35.95 2g54 s ILE 537 CO 0.38 -0.94 1.18 0.18 -1.23 0.00 0.00 174.94 174.51 2g54 n LEU 538 N 6.07 2.51 -4.76 2.97 7.99 -1.26 -4.88 117.00 125.64 2g54 n LEU 538 Ca -0.09 1.18 -0.41 0.00 -0.01 0.00 0.00 56.01 56.67 2g54 n LEU 538 Cb 0.43 -1.36 -0.02 0.00 -0.11 0.00 0.00 43.42 42.36 2g54 n LEU 538 CO 0.55 -0.96 1.04 -2.16 -1.51 0.00 0.00 177.39 174.36 2g54 s PRO 539 N -1.30 4.31 0.14 3.23 0.04 -1.26 -4.92 135.00 135.24 2g54 s PRO 539 Ca 0.61 2.26 -0.34 0.00 0.04 0.00 0.00 61.00 63.57 2g54 s PRO 539 Cb -0.67 -3.09 -0.15 0.00 0.04 0.00 0.00 34.50 30.63 2g54 s PRO 539 CO 0.58 -0.31 1.47 -0.11 0.04 0.00 0.00 177.00 178.66 2g54 n LEU 540 N 1.55 2.55 -4.80 -3.56 7.94 -1.26 -4.93 117.00 114.49 2g54 n LEU 540 Ca 0.03 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.70 2g54 n LEU 540 Cb 0.41 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 42.98 2g54 n LEU 540 CO 0.60 -0.60 0.71 -1.61 -1.11 0.00 0.00 177.39 175.38 2g54 s GLU 541 N 0.59 3.83 0.39 1.96 2.02 -1.26 -4.95 118.70 121.28 2g54 s GLU 541 Ca 0.79 1.33 0.08 0.00 0.02 0.00 0.00 54.97 57.19 2g54 s GLU 541 Cb -0.77 -2.10 0.84 0.00 0.10 0.00 0.00 34.13 32.19 2g54 s GLU 541 CO 0.42 -0.40 1.99 1.57 0.02 0.00 0.00 175.26 178.86 2g54 h LYS 542 N 1.55 0.61 -1.01 1.61 2.10 -2.06 -1.55 116.57 117.82 2g54 h LYS 542 Ca -0.49 -0.04 -0.48 0.00 -2.00 0.00 0.00 60.65 57.64 2g54 h LYS 542 Cb 1.22 -0.14 -0.28 0.00 -0.90 0.00 0.00 32.23 32.13 2g54 h LYS 542 CO 0.59 0.40 0.60 -0.85 -2.00 0.00 0.00 179.45 178.20 2g54 n GLU 543 N -4.47 2.15 -2.33 0.07 -0.00 -1.26 -4.98 120.64 109.82 2g54 n GLU 543 Ca 0.09 -2.72 -0.37 0.00 -0.00 0.00 0.00 57.16 54.16 2g54 n GLU 543 Cb 0.22 -2.07 -0.02 0.00 -0.00 0.00 0.00 31.44 29.58 2g54 n GLU 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2g54 s ALA 544 N -2.99 2.97 0.09 -1.84 0.00 -0.59 -5.04 121.76 114.36 2g54 s ALA 544 Ca 0.52 0.87 0.10 0.00 0.00 0.00 0.00 51.96 53.44 2g54 s ALA 544 Cb 0.43 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2g54 s ALA 544 CO 0.09 -0.56 -0.24 0.95 0.00 0.00 0.00 175.76 176.00 2g54 s THR 545 N -1.60 2.44 0.36 0.00 -4.23 -1.26 -5.03 115.64 106.31 2g54 s THR 545 Ca 0.63 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 2g54 s THR 545 Cb -0.26 -2.05 0.13 0.00 1.34 0.00 0.00 72.50 71.65 2g54 s THR 545 CO 0.32 0.19 1.86 -0.65 -0.54 0.00 0.00 174.62 175.80 2g54 h PRO 546 N 4.15 0.27 -5.85 3.99 0.11 -1.96 -3.43 132.00 129.29 2g54 h PRO 546 Ca -0.49 -0.08 -0.60 0.00 0.11 0.00 0.00 66.00 64.94 2g54 h PRO 546 Cb 1.16 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 2g54 h PRO 546 CO 0.43 0.45 -0.67 0.71 -0.21 0.00 0.00 178.00 178.71 2g54 s TYR 547 N -4.62 2.36 0.42 0.65 2.02 -1.26 -5.08 117.35 111.84 2g54 s TYR 547 Ca -0.05 -0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 55.83 2g54 s TYR 547 Cb 0.15 -1.40 -0.10 0.00 -0.40 0.00 0.00 41.96 40.22 2g54 s TYR 547 CO 0.75 0.53 1.42 -2.30 -1.57 0.00 0.00 175.55 174.37 2g54 n PRO 548 N -0.79 2.34 -4.69 -1.71 -0.02 -1.26 -4.80 135.00 124.06 2g54 n PRO 548 Ca -0.05 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 2g54 n PRO 548 Cb 0.64 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 2g54 n PRO 548 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g54 s ALA 549 N -1.16 2.43 -0.79 3.55 0.00 0.16 -4.81 121.76 121.14 2g54 s ALA 549 Ca 0.58 -1.28 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2g54 s ALA 549 Cb -0.47 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2g54 s ALA 549 CO 0.60 0.55 1.25 -1.17 0.00 0.00 0.00 175.76 177.00 2g54 s LEU 550 N -1.50 3.51 0.00 0.00 2.96 -1.26 -0.04 118.68 122.35 2g54 s LEU 550 Ca 0.14 -0.80 0.25 0.00 -0.22 0.00 0.00 54.13 53.50 2g54 s LEU 550 Cb -0.10 -2.53 0.50 0.00 0.50 0.00 0.00 46.19 44.56 2g54 s LEU 550 CO 0.04 -1.68 1.41 2.30 -1.32 0.00 0.00 176.35 177.10 2g54 n ILE 551 N 6.36 0.00 -3.69 6.68 -5.35 -0.44 -4.85 119.36 118.07 2g54 n ILE 551 Ca 0.08 -0.17 -0.10 0.00 -0.27 0.00 0.00 62.75 62.29 2g54 n ILE 551 Cb 0.49 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.97 2g54 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2g54 s LYS 552 N -2.50 0.45 -0.42 6.28 2.20 -1.20 -4.98 119.74 119.57 2g54 s LYS 552 Ca 0.22 0.84 0.05 0.00 -0.36 0.00 0.00 55.97 56.73 2g54 s LYS 552 Cb 0.19 0.02 0.19 0.00 -1.51 0.00 0.00 37.83 36.72 2g54 s LYS 552 CO 0.54 -0.15 0.43 -3.47 -0.36 0.00 0.00 175.35 172.34 2g54 n ASP 553 N 4.17 -0.75 -4.87 1.43 2.03 -1.26 -0.74 116.55 116.57 2g54 n ASP 553 Ca -0.22 -2.52 -0.26 0.00 0.52 0.00 0.00 54.79 52.31 2g54 n ASP 553 Cb 0.56 -0.25 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 2g54 n ASP 553 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2g54 s THR 554 N -0.09 1.80 0.27 5.18 -4.23 -0.28 -5.01 115.64 113.29 2g54 s THR 554 Ca 0.33 -1.54 0.12 0.00 -1.18 0.00 0.00 61.69 59.42 2g54 s THR 554 Cb 0.07 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.59 2g54 s THR 554 CO -0.17 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.58 2g54 h ALA 555 N 0.91 1.05 -0.03 3.99 0.00 -2.00 -3.12 119.26 120.06 2g54 h ALA 555 Ca -0.39 -0.49 -0.24 0.00 0.00 0.00 0.00 54.91 53.79 2g54 h ALA 555 Cb 1.29 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2g54 h ALA 555 CO 0.60 0.67 -0.95 1.98 0.00 0.00 0.00 179.25 181.55 2g54 h MET 556 N 0.00 0.62 -2.44 0.00 1.85 -1.91 -3.40 114.93 109.65 2g54 h MET 556 Ca -0.01 -0.63 -0.05 0.00 -0.61 0.00 0.00 59.70 58.40 2g54 h MET 556 Cb 0.99 0.17 -0.17 0.00 0.43 0.00 0.00 31.60 33.02 2g54 h MET 556 CO 0.07 1.23 0.14 -1.54 -0.40 0.00 0.00 176.91 176.41 2g54 s SER 557 N -7.18 -0.57 -0.20 1.39 1.04 -1.18 -0.83 113.70 106.17 2g54 s SER 557 Ca -0.08 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.77 2g54 s SER 557 Cb 0.08 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2g54 s SER 557 CO 0.90 -0.70 -0.16 -0.75 0.98 0.00 0.00 173.24 173.50 2g54 s LYS 558 N -2.02 2.66 -0.23 4.02 2.20 0.16 -1.12 119.74 125.41 2g54 s LYS 558 Ca -0.07 -0.95 -0.05 0.00 -0.36 0.00 0.00 55.97 54.53 2g54 s LYS 558 Cb -0.01 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2g54 s LYS 558 CO 0.02 -0.33 0.01 -1.17 -0.36 0.00 0.00 175.35 173.53 2g54 s LEU 559 N 1.26 3.19 -0.15 5.43 2.96 0.08 -0.74 118.68 130.71 2g54 s LEU 559 Ca 0.01 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 2g54 s LEU 559 Cb -0.15 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2g54 s LEU 559 CO -0.10 -0.00 0.06 0.26 -1.32 0.00 0.00 176.35 175.25 2g54 s TRP 560 N 1.41 3.30 0.02 5.38 0.52 -0.15 -1.33 118.94 128.10 2g54 s TRP 560 Ca 0.05 0.20 0.01 0.00 0.02 0.00 0.00 56.10 56.37 2g54 s TRP 560 Cb -0.15 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2g54 s TRP 560 CO 0.01 0.35 -0.04 0.12 0.02 0.00 0.00 176.95 177.40 2g54 s PHE 561 N -0.22 0.38 -0.28 -1.98 5.36 0.95 -0.99 117.98 121.19 2g54 s PHE 561 Ca 0.08 -0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 55.54 2g54 s PHE 561 Cb -0.12 -0.24 0.11 0.00 -0.34 0.00 0.00 43.02 42.42 2g54 s PHE 561 CO 0.01 -0.11 0.62 0.21 -1.46 0.00 0.00 175.22 174.50 2g54 s LYS 562 N -1.14 0.58 -0.14 10.12 2.20 -0.88 0.37 119.74 130.84 2g54 s LYS 562 Ca -0.10 1.31 -0.26 0.00 -0.36 0.00 0.00 55.97 56.57 2g54 s LYS 562 Cb -0.08 0.56 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 2g54 s LYS 562 CO -0.00 -0.19 0.85 -1.14 -0.36 0.00 0.00 175.35 174.51 2g54 s GLN 563 N 2.42 4.34 0.22 4.03 0.74 -1.26 -2.60 119.66 127.55 2g54 s GLN 563 Ca -0.07 1.07 -0.32 0.00 0.05 0.00 0.00 55.36 56.09 2g54 s GLN 563 Cb -0.10 -3.55 -0.14 0.00 1.10 0.00 0.00 33.01 30.32 2g54 s GLN 563 CO -0.18 -0.27 1.35 -3.47 -0.55 0.00 0.00 175.29 172.16 2g54 n ASP 564 N 5.00 2.39 0.00 6.67 2.03 -0.11 -4.87 116.55 127.66 2g54 n ASP 564 Ca 0.04 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2g54 n ASP 564 Cb 0.49 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 2g54 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2g54 n ASP 565 N 2.14 0.12 -0.07 1.67 3.85 -1.26 -4.79 116.55 118.21 2g54 n ASP 565 Ca 0.13 -0.44 -0.15 0.00 -0.71 0.00 0.00 54.79 53.61 2g54 n ASP 565 Cb 0.30 0.50 -0.05 0.00 -1.35 0.00 0.00 41.12 40.51 2g54 n ASP 565 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 2g54 n LYS 566 N -0.50 0.32 0.04 0.11 2.85 -1.26 -4.83 118.16 114.89 2g54 n LYS 566 Ca 0.00 0.14 -0.20 0.00 -1.05 0.00 0.00 58.31 57.20 2g54 n LYS 566 Cb 0.02 -1.04 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 2g54 n LYS 566 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2g54 h PHE 567 N -0.55 0.96 -6.04 5.58 -1.00 -1.96 -3.48 116.94 110.45 2g54 h PHE 567 Ca -0.36 -0.53 -0.40 0.00 2.81 0.00 0.00 57.97 59.50 2g54 h PHE 567 Cb 1.27 -0.11 0.09 0.00 3.61 0.00 0.00 35.95 40.81 2g54 h PHE 567 CO -0.07 1.36 -0.88 1.19 -1.61 0.00 0.00 178.31 178.30 2g54 n PHE 568 N -3.93 -2.00 -4.41 -0.55 3.01 -1.26 -5.02 117.46 103.30 2g54 n PHE 568 Ca -0.11 0.69 -0.25 0.00 1.01 0.00 0.00 57.45 58.79 2g54 n PHE 568 Cb 0.85 -3.95 -0.11 0.00 -0.01 0.00 0.00 39.48 36.25 2g54 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2g54 s LEU 569 N -6.37 2.48 -1.03 4.37 1.43 -1.26 -5.01 118.68 113.28 2g54 s LEU 569 Ca 0.27 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2g54 s LEU 569 Cb -0.08 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 45.03 2g54 s LEU 569 CO 0.82 0.05 2.20 -0.81 0.23 0.00 0.00 176.35 178.84 2g54 n PRO 570 N 0.04 2.25 -4.17 1.29 -0.04 -1.26 -4.56 135.00 128.56 2g54 n PRO 570 Ca -0.11 -1.75 -0.11 0.00 -0.04 0.00 0.00 63.50 61.50 2g54 n PRO 570 Cb 0.57 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 31.25 2g54 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2g54 s LYS 571 N 3.57 0.92 0.08 0.54 1.02 -1.26 -2.32 119.74 122.29 2g54 s LYS 571 Ca 0.49 -1.42 -0.22 0.00 0.02 0.00 0.00 55.97 54.84 2g54 s LYS 571 Cb 0.13 0.01 0.06 0.00 -0.52 0.00 0.00 37.83 37.50 2g54 s LYS 571 CO -0.01 -0.16 0.54 0.00 -0.92 0.00 0.00 175.35 174.81 2g54 s ALA 572 N -3.84 -1.39 -0.15 5.17 0.00 -0.63 -0.80 121.76 120.12 2g54 s ALA 572 Ca 0.19 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2g54 s ALA 572 Cb 0.07 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2g54 s ALA 572 CO -0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 175.76 175.01 2g54 s LEU 574 N 1.32 4.77 -0.20 0.00 1.43 -0.07 -1.32 118.68 124.62 2g54 s LEU 574 Ca 0.02 -1.77 -0.07 0.00 -1.03 0.00 0.00 54.13 51.28 2g54 s LEU 574 Cb -0.13 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2g54 s LEU 574 CO -0.09 -0.44 0.06 0.20 0.23 0.00 0.00 176.35 176.30 2g54 s ASN 575 N 1.57 5.43 -0.07 2.29 -0.87 -0.28 -1.07 114.94 121.94 2g54 s ASN 575 Ca 0.04 -0.01 0.03 0.00 -1.57 0.00 0.00 52.86 51.34 2g54 s ASN 575 Cb -0.21 -1.94 0.01 0.00 -0.02 0.00 0.00 41.25 39.09 2g54 s ASN 575 CO -0.03 0.12 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.12 2g54 s PHE 576 N 0.69 1.61 -0.22 2.20 0.40 0.16 -0.77 117.98 122.04 2g54 s PHE 576 Ca 0.03 -0.60 -0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2g54 s PHE 576 Cb -0.13 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.25 2g54 s PHE 576 CO 0.02 -0.29 -0.09 -2.00 0.70 0.00 0.00 175.22 173.56 2g54 s GLU 577 N 0.58 3.12 -0.32 0.44 2.56 -0.06 -0.70 118.70 124.33 2g54 s GLU 577 Ca -0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 54.97 53.95 2g54 s GLU 577 Cb -0.16 -2.88 -0.00 0.00 2.00 0.00 0.00 34.13 33.08 2g54 s GLU 577 CO 0.04 -0.26 0.16 -0.06 -0.56 0.00 0.00 175.26 174.58 2g54 s PHE 578 N 1.38 3.19 -0.02 5.30 0.40 0.74 -1.76 117.98 127.21 2g54 s PHE 578 Ca 0.04 -0.60 -0.18 0.00 -0.60 0.00 0.00 56.93 55.59 2g54 s PHE 578 Cb -0.15 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 2g54 s PHE 578 CO -0.06 -0.47 0.49 -0.06 0.70 0.00 0.00 175.22 175.82 2g54 s PHE 579 N 1.61 3.68 -0.29 0.36 0.40 -0.09 -0.15 117.98 123.49 2g54 s PHE 579 Ca 0.04 1.06 -0.15 0.00 -0.60 0.00 0.00 56.93 57.28 2g54 s PHE 579 Cb -0.17 -2.46 0.12 0.00 0.51 0.00 0.00 43.02 41.02 2g54 s PHE 579 CO 0.06 0.45 0.83 0.45 0.70 0.00 0.00 175.22 177.71 2g54 s SER 580 N -0.44 -0.76 0.59 1.36 0.15 -0.42 -2.90 113.70 111.27 2g54 s SER 580 Ca 0.27 1.17 0.36 0.00 0.70 0.00 0.00 55.95 58.45 2g54 s SER 580 Cb -0.17 1.47 1.82 0.00 -1.71 0.00 0.00 66.02 67.43 2g54 s SER 580 CO 0.14 -0.18 2.16 -0.65 1.20 0.00 0.00 173.24 175.92 2g54 h PRO 581 N 6.84 0.00 -0.11 5.44 0.11 -1.89 -2.87 132.00 139.51 2g54 h PRO 581 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2g54 h PRO 581 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2g54 h PRO 581 CO 0.16 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 179.17 2g54 n PHE 582 N -3.24 0.14 0.01 0.65 3.01 -1.26 -1.87 117.46 114.91 2g54 n PHE 582 Ca -0.01 -0.07 -0.02 0.00 1.01 0.00 0.00 57.45 58.36 2g54 n PHE 582 Cb 0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.56 2g54 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g54 n ALA 583 N -0.21 1.87 -0.74 4.37 0.00 -1.08 -4.47 120.51 120.25 2g54 n ALA 583 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2g54 n ALA 583 Cb 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2g54 n ALA 583 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2g54 n TYR 584 N -2.88 0.00 -0.33 0.00 -0.00 -1.22 -3.45 117.16 109.28 2g54 n TYR 584 Ca -0.12 -0.12 0.21 0.00 -0.00 0.00 0.00 57.90 57.87 2g54 n TYR 584 Cb 0.88 -0.01 0.43 0.00 -0.00 0.00 0.00 39.34 40.64 2g54 n TYR 584 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 2g54 h VAL 585 N 2.09 0.33 -3.17 2.97 3.04 -1.59 -3.44 116.25 116.48 2g54 h VAL 585 Ca 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 2g54 h VAL 585 Cb 0.83 -0.03 -0.09 0.00 -2.01 0.00 0.00 31.29 29.99 2g54 h VAL 585 CO 0.00 0.06 0.12 1.51 -1.01 0.00 0.00 177.57 178.25 2g54 s ASP 586 N -4.97 -0.32 0.27 3.17 -4.77 -1.26 -5.03 116.67 103.76 2g54 s ASP 586 Ca -0.10 -0.43 -0.00 0.00 -3.30 0.00 0.00 52.55 48.71 2g54 s ASP 586 Cb 0.29 0.63 0.62 0.00 -1.09 0.00 0.00 42.92 43.37 2g54 s ASP 586 CO 0.79 -1.12 1.67 -0.65 0.70 0.00 0.00 175.17 176.55 2g54 h PRO 587 N 2.10 0.24 -0.45 2.11 0.11 -1.91 -1.01 132.00 133.19 2g54 h PRO 587 Ca -0.27 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.86 2g54 h PRO 587 Cb 1.27 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 2g54 h PRO 587 CO 0.33 0.16 0.24 1.25 -0.21 0.00 0.00 178.00 179.78 2g54 h LEU 588 N 0.25 0.36 -0.92 2.35 5.85 -1.89 -1.68 115.31 119.63 2g54 h LEU 588 Ca 0.50 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.19 2g54 h LEU 588 Cb 0.96 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 2g54 h LEU 588 CO -0.59 0.26 -0.24 0.45 -0.34 0.00 0.00 178.44 177.97 2g54 h HIS 589 N 0.48 0.00 -0.22 1.25 3.86 -1.56 -2.07 115.15 116.89 2g54 h HIS 589 Ca 0.19 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 2g54 h HIS 589 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2g54 h HIS 589 CO -0.09 0.24 -0.24 0.00 0.86 0.00 0.00 177.93 178.70 2g54 h ASN 591 N 0.24 0.72 -0.47 0.00 2.35 -1.05 -1.53 115.58 115.84 2g54 h ASN 591 Ca 0.03 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2g54 h ASN 591 Cb 0.80 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 2g54 h ASN 591 CO 0.06 0.56 -0.05 0.24 -1.65 0.00 0.00 177.43 176.59 2g54 h MET 592 N 0.81 0.92 -0.38 0.81 2.86 -1.31 0.17 114.93 118.80 2g54 h MET 592 Ca 0.21 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2g54 h MET 592 Cb -0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 2g54 h MET 592 CO -0.04 0.94 0.18 0.00 1.06 0.00 0.00 176.91 179.05 2g54 h ALA 593 N 1.10 0.49 0.58 6.32 0.00 -0.92 0.17 119.26 127.01 2g54 h ALA 593 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2g54 h ALA 593 Cb 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2g54 h ALA 593 CO 0.03 0.05 -0.28 -0.92 0.00 0.00 0.00 179.25 178.14 2g54 h TYR 594 N 0.48 -0.72 -0.91 0.00 3.20 -0.94 -2.60 116.97 115.47 2g54 h TYR 594 Ca 0.13 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.08 2g54 h TYR 594 Cb 0.12 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 2g54 h TYR 594 CO -0.01 -0.41 0.55 -0.07 -1.64 0.00 0.00 178.16 176.57 2g54 h LEU 595 N -0.87 0.81 0.45 2.82 4.07 -0.58 -1.04 115.31 120.96 2g54 h LEU 595 Ca -0.08 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2g54 h LEU 595 Cb 0.63 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 2g54 h LEU 595 CO 0.13 0.45 -0.35 0.22 -1.08 0.00 0.00 178.44 177.81 2g54 h TYR 596 N 0.91 -0.94 -0.43 1.13 3.20 -0.57 0.14 116.97 120.40 2g54 h TYR 596 Ca 0.44 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.27 2g54 h TYR 596 Cb 0.39 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2g54 h TYR 596 CO -0.03 -0.51 0.11 -0.07 -1.64 0.00 0.00 178.16 176.01 2g54 h LEU 597 N -0.79 0.59 -0.61 2.82 4.07 -1.17 -0.55 115.31 119.67 2g54 h LEU 597 Ca -0.04 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.70 2g54 h LEU 597 Cb 0.68 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2g54 h LEU 597 CO -0.01 0.58 -0.30 -0.08 -1.08 0.00 0.00 178.44 177.56 2g54 h GLU 598 N 0.62 0.78 -0.33 1.13 4.57 -0.97 -0.60 114.58 119.79 2g54 h GLU 598 Ca 0.14 -0.35 -0.14 0.00 -1.18 0.00 0.00 59.36 57.82 2g54 h GLU 598 Cb 0.23 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2g54 h GLU 598 CO -0.00 0.98 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.36 2g54 h LEU 599 N 0.67 0.82 -0.25 1.64 4.07 -0.19 -1.96 115.31 120.10 2g54 h LEU 599 Ca 0.08 -0.36 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 2g54 h LEU 599 Cb 0.83 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2g54 h LEU 599 CO 0.07 1.10 0.02 0.25 -1.08 0.00 0.00 178.44 178.80 2g54 h LEU 600 N 0.64 0.42 -0.96 1.67 5.85 -0.81 -1.86 115.31 120.26 2g54 h LEU 600 Ca 0.06 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2g54 h LEU 600 Cb 0.92 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2g54 h LEU 600 CO 0.08 0.61 0.18 0.11 -0.34 0.00 0.00 178.44 179.08 2g54 h LYS 601 N 0.22 0.94 -0.28 1.25 1.57 -1.09 -1.68 116.57 117.51 2g54 h LYS 601 Ca 0.07 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 2g54 h LYS 601 Cb 0.38 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2g54 h LYS 601 CO 0.01 0.82 -0.13 0.22 -0.57 0.00 0.00 179.45 179.79 2g54 h ASP 602 N 0.91 0.45 1.60 0.86 1.82 -1.20 -0.03 116.42 120.84 2g54 h ASP 602 Ca 0.20 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.65 2g54 h ASP 602 Cb 0.28 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 2g54 h ASP 602 CO -0.01 0.62 -0.36 0.77 -1.61 0.00 0.00 179.24 178.65 2g54 h SER 603 N 0.43 0.00 0.47 2.28 4.64 -0.85 -3.23 113.55 117.29 2g54 h SER 603 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2g54 h SER 603 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2g54 h SER 603 CO 0.03 0.36 -0.81 0.18 -0.87 0.00 0.00 176.83 175.72 2g54 n LEU 604 N -3.20 0.63 -0.19 5.97 4.77 -0.68 -4.56 117.00 119.75 2g54 n LEU 604 Ca 0.02 -0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2g54 n LEU 604 Cb 0.67 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2g54 n LEU 604 CO 0.39 0.08 0.62 -1.13 -1.33 0.00 0.00 177.39 176.01 2g54 h ASN 605 N 0.00 -1.19 -0.63 -1.43 -0.73 -1.03 0.34 115.58 110.91 2g54 h ASN 605 Ca 0.00 0.22 0.11 0.00 1.87 0.00 0.00 56.30 58.50 2g54 h ASN 605 Cb 0.64 0.58 -0.08 0.00 0.27 0.00 0.00 38.32 39.73 2g54 h ASN 605 CO 0.00 -0.31 0.19 -0.33 -0.37 0.00 0.00 177.43 176.61 2g54 h GLU 606 N -0.19 0.33 -0.01 6.67 5.08 -1.82 0.09 114.58 124.74 2g54 h GLU 606 Ca 0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2g54 h GLU 606 Cb 0.55 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2g54 h GLU 606 CO -0.66 0.22 -0.00 -0.92 -1.00 0.00 0.00 179.01 176.65 2g54 h TYR 607 N 0.34 0.01 0.00 4.33 3.20 -1.55 -3.28 116.97 120.03 2g54 h TYR 607 Ca 0.33 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 2g54 h TYR 607 Cb 0.46 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2g54 h TYR 607 CO -0.20 0.42 -0.03 0.00 -1.64 0.00 0.00 178.16 176.71 2g54 h ALA 608 N 0.59 1.01 -0.33 1.82 0.00 -0.03 -3.22 119.26 119.11 2g54 h ALA 608 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2g54 h ALA 608 Cb 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2g54 h ALA 608 CO 0.00 0.03 0.21 -0.92 0.00 0.00 0.00 179.25 178.57 2g54 h TYR 609 N 0.00 0.44 -0.99 0.00 3.20 -1.04 -0.21 116.97 118.37 2g54 h TYR 609 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 2g54 h TYR 609 Cb 0.47 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 2g54 h TYR 609 CO 0.00 0.31 0.65 0.00 -1.64 0.00 0.00 178.16 177.48 2g54 h ALA 610 N 1.09 1.31 -0.36 1.82 0.00 -1.72 -0.69 119.26 120.72 2g54 h ALA 610 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2g54 h ALA 610 Cb -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2g54 h ALA 610 CO -0.02 0.56 0.16 0.00 0.00 0.00 0.00 179.25 179.95 2g54 h ALA 611 N 1.40 0.46 -0.60 0.00 0.00 -1.53 -1.53 119.26 117.46 2g54 h ALA 611 Ca 0.39 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2g54 h ALA 611 Cb -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2g54 h ALA 611 CO -0.12 0.04 0.32 1.49 0.00 0.00 0.00 179.25 180.98 2g54 h GLU 612 N 0.44 0.58 -0.55 0.00 4.81 -0.15 0.13 114.58 119.83 2g54 h GLU 612 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2g54 h GLU 612 Cb 0.15 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2g54 h GLU 612 CO -0.01 0.39 0.36 -0.07 -0.73 0.00 0.00 179.01 178.95 2g54 h LEU 613 N 0.60 0.64 -1.95 1.64 4.07 -0.84 -1.33 115.31 118.14 2g54 h LEU 613 Ca 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 2g54 h LEU 613 Cb 0.16 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2g54 h LEU 613 CO -0.17 0.46 0.04 0.00 -1.08 0.00 0.00 178.44 177.69 2g54 n ALA 614 N -2.45 3.03 -2.05 1.53 0.00 -0.20 -4.86 120.51 115.52 2g54 n ALA 614 Ca 0.05 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 2g54 n ALA 614 Cb 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2g54 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g54 n GLY 615 N 0.15 0.20 2.88 0.00 0.00 -0.50 -4.61 105.19 103.30 2g54 n GLY 615 Ca 0.10 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2g54 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g54 s LEU 616 N -3.64 2.93 0.35 0.99 0.20 0.29 -2.77 118.68 117.03 2g54 s LEU 616 Ca 0.00 -1.57 0.05 0.00 0.69 0.00 0.00 54.13 53.31 2g54 s LEU 616 Cb 0.00 -1.15 -0.07 0.00 -0.43 0.00 0.00 46.19 44.54 2g54 s LEU 616 CO 0.00 -0.34 0.03 -0.94 -0.29 0.00 0.00 176.35 174.81 2g54 s SER 617 N 1.38 3.00 0.11 3.68 1.04 -0.56 -1.88 113.70 120.47 2g54 s SER 617 Ca 0.04 -1.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.02 2g54 s SER 617 Cb -0.18 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.72 2g54 s SER 617 CO -0.13 -0.52 0.22 -0.72 0.98 0.00 0.00 173.24 173.06 2g54 s TYR 618 N -3.04 0.20 -0.05 5.02 -0.85 -1.26 -1.04 117.35 116.33 2g54 s TYR 618 Ca 0.35 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 2g54 s TYR 618 Cb 0.09 -0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.39 2g54 s TYR 618 CO 0.16 -0.59 -0.08 0.34 -1.52 0.00 0.00 175.55 173.87 2g54 s ASP 619 N -2.88 1.24 -0.14 -0.18 2.15 0.14 -4.96 116.67 112.03 2g54 s ASP 619 Ca 0.08 -0.19 -0.02 0.00 0.43 0.00 0.00 52.55 52.85 2g54 s ASP 619 Cb 0.04 -0.55 0.04 0.00 -0.30 0.00 0.00 42.92 42.15 2g54 s ASP 619 CO -0.09 -0.01 -0.01 -0.22 -0.17 0.00 0.00 175.17 174.68 2g54 s LEU 620 N 0.70 1.09 0.03 -1.34 2.96 -1.26 -0.66 118.68 120.21 2g54 s LEU 620 Ca -0.11 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2g54 s LEU 620 Cb -0.14 -0.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.89 2g54 s LEU 620 CO 0.01 -0.22 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.66 2g54 s GLN 621 N 1.83 0.44 0.27 1.98 -0.21 0.01 -4.92 119.66 119.06 2g54 s GLN 621 Ca 0.02 -0.66 -0.17 0.00 0.02 0.00 0.00 55.36 54.57 2g54 s GLN 621 Cb -0.15 -0.18 -0.09 0.00 1.00 0.00 0.00 33.01 33.60 2g54 s GLN 621 CO -0.07 0.02 0.73 0.54 -2.12 0.00 0.00 175.29 174.39 2g54 s ASN 622 N -1.41 6.92 0.42 5.90 2.20 -1.26 0.53 114.94 128.24 2g54 s ASN 622 Ca -0.11 1.35 0.03 0.00 -0.94 0.00 0.00 52.86 53.19 2g54 s ASN 622 Cb -0.09 -2.39 -0.01 0.00 -2.00 0.00 0.00 41.25 36.75 2g54 s ASN 622 CO -0.00 -0.08 0.10 0.35 -2.94 0.00 0.00 177.10 174.53 2g54 n THR 623 N 0.21 0.00 0.52 0.54 -2.24 0.18 -4.84 114.28 108.66 2g54 n THR 623 Ca 0.00 -2.30 0.12 0.00 -2.27 0.00 0.00 64.05 59.61 2g54 n THR 623 Cb 0.52 0.71 0.45 0.00 -2.10 0.00 0.00 70.33 69.91 2g54 n THR 623 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2g54 n ILE 624 N -0.99 0.70 0.19 2.28 -5.35 -1.26 -3.17 119.36 111.77 2g54 n ILE 624 Ca -0.10 0.01 0.02 0.00 -0.27 0.00 0.00 62.75 62.41 2g54 n ILE 624 Cb 0.60 -0.89 0.01 0.00 -1.74 0.00 0.00 39.64 37.62 2g54 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2g54 n TYR 625 N -2.19 0.00 0.00 4.28 0.53 -1.26 -4.48 117.16 114.04 2g54 n TYR 625 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 2g54 n TYR 625 Cb 0.32 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.63 2g54 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2g54 n GLY 626 N 0.46 0.00 3.19 2.72 0.00 -1.19 -1.31 105.19 109.06 2g54 n GLY 626 Ca 0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2g54 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2g54 s MET 627 N 0.00 0.89 -0.08 1.61 -1.94 0.78 0.52 119.30 121.08 2g54 s MET 627 Ca 0.00 -1.13 0.03 0.00 -1.71 0.00 0.00 55.69 52.88 2g54 s MET 627 Cb 0.00 -0.72 0.01 0.00 2.01 0.00 0.00 34.83 36.13 2g54 s MET 627 CO 0.00 0.13 -0.16 -0.47 -0.01 0.00 0.00 175.02 174.51 2g54 s TYR 628 N -2.04 1.88 -0.03 -0.03 5.04 0.19 -0.19 117.35 122.17 2g54 s TYR 628 Ca 0.04 -0.75 0.02 0.00 -2.44 0.00 0.00 57.07 53.95 2g54 s TYR 628 Cb -0.05 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 40.94 2g54 s TYR 628 CO 0.02 -0.35 -0.08 -1.17 -1.34 0.00 0.00 175.55 172.62 2g54 s LEU 629 N 0.60 1.77 -0.05 6.97 0.20 0.12 -0.81 118.68 127.48 2g54 s LEU 629 Ca -0.15 -0.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 2g54 s LEU 629 Cb -0.16 -0.52 0.04 0.00 -0.43 0.00 0.00 46.19 45.11 2g54 s LEU 629 CO 0.05 0.06 0.10 -0.55 -0.29 0.00 0.00 176.35 175.72 2g54 s SER 630 N 0.22 0.31 -0.19 3.68 0.15 0.17 0.36 113.70 118.40 2g54 s SER 630 Ca -0.03 0.20 -0.00 0.00 0.70 0.00 0.00 55.95 56.81 2g54 s SER 630 Cb -0.08 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2g54 s SER 630 CO 0.00 -0.18 -0.16 -0.69 1.20 0.00 0.00 173.24 173.41 2g54 s VAL 631 N 1.52 2.39 0.16 4.45 1.01 -0.23 0.24 120.40 129.94 2g54 s VAL 631 Ca -0.05 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2g54 s VAL 631 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2g54 s VAL 631 CO -0.05 0.51 -0.14 -0.54 0.00 0.00 0.00 175.10 174.89 2g54 s LYS 632 N 1.28 1.16 0.00 2.72 1.02 -0.21 -0.89 119.74 124.82 2g54 s LYS 632 Ca 0.04 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.62 2g54 s LYS 632 Cb -0.14 -0.98 0.00 0.00 -0.52 0.00 0.00 37.83 36.20 2g54 s LYS 632 CO -0.10 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 2g54 n GLY 633 N 0.09 0.58 3.73 -3.33 0.00 -1.18 -1.49 105.19 103.58 2g54 n GLY 633 Ca -0.12 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 2g54 n GLY 633 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2g54 n TYR 634 N 1.82 2.63 0.15 1.61 4.01 -1.11 -1.60 117.16 124.67 2g54 n TYR 634 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 2g54 n TYR 634 Cb 0.00 -2.53 0.22 0.00 -0.31 0.00 0.00 39.34 36.71 2g54 n TYR 634 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 2g54 h ASN 635 N 4.11 0.00 -0.27 7.72 -1.07 -1.73 -3.37 115.58 120.96 2g54 h ASN 635 Ca -0.47 0.00 0.02 0.00 0.07 0.00 0.00 56.30 55.93 2g54 h ASN 635 Cb 1.25 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.46 2g54 h ASN 635 CO 0.74 0.55 -0.16 -0.67 0.07 0.00 0.00 177.43 177.96 2g54 n ASP 636 N -3.78 -0.29 -1.57 6.14 4.64 -1.26 -2.04 116.55 118.39 2g54 n ASP 636 Ca -0.01 0.94 0.08 0.00 -1.38 0.00 0.00 54.79 54.42 2g54 n ASP 636 Cb 0.58 -0.29 0.36 0.00 -1.04 0.00 0.00 41.12 40.73 2g54 n ASP 636 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2g54 n LYS 637 N -3.55 4.13 -0.26 -0.67 5.02 -1.26 -4.59 118.16 116.98 2g54 n LYS 637 Ca 0.01 -2.99 -0.04 0.00 -2.02 0.00 0.00 58.31 53.26 2g54 n LYS 637 Cb 0.07 -2.04 0.07 0.00 -0.02 0.00 0.00 35.03 33.10 2g54 n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2g54 h GLN 638 N 3.55 0.93 -0.96 1.97 4.20 -1.56 -2.73 115.11 120.51 2g54 h GLN 638 Ca 0.00 -0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.78 2g54 h GLN 638 Cb 1.68 -0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.18 2g54 h GLN 638 CO 0.35 0.62 0.61 -1.35 -0.67 0.00 0.00 178.83 178.39 2g54 h PRO 639 N 0.96 0.88 -0.14 1.46 0.11 -1.81 -0.43 132.00 133.02 2g54 h PRO 639 Ca 0.27 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 2g54 h PRO 639 Cb -0.07 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.83 2g54 h PRO 639 CO -0.07 0.58 0.03 0.82 -0.21 0.00 0.00 178.00 179.14 2g54 h ILE 640 N 0.90 1.21 -0.14 4.15 2.04 -1.83 -1.46 117.51 122.39 2g54 h ILE 640 Ca 0.48 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2g54 h ILE 640 Cb 0.54 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2g54 h ILE 640 CO -0.24 0.20 0.03 0.25 0.00 0.00 0.00 178.15 178.39 2g54 h LEU 641 N 0.02 0.22 -0.24 1.44 5.85 -1.33 -1.72 115.31 119.54 2g54 h LEU 641 Ca 0.04 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2g54 h LEU 641 Cb 0.29 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2g54 h LEU 641 CO 0.00 0.40 -0.04 0.25 -0.34 0.00 0.00 178.44 178.71 2g54 h LEU 642 N 0.02 -0.17 -0.46 2.25 6.46 -1.09 0.09 115.31 122.41 2g54 h LEU 642 Ca 0.04 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2g54 h LEU 642 Cb 0.27 0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 2g54 h LEU 642 CO 0.00 -0.06 0.27 0.50 -0.62 0.00 0.00 178.44 178.54 2g54 h LYS 643 N 0.03 0.53 -0.71 1.25 3.64 -1.24 -0.54 116.57 119.52 2g54 h LYS 643 Ca 0.11 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2g54 h LYS 643 Cb 0.16 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2g54 h LYS 643 CO -0.22 0.35 0.44 -0.22 -2.27 0.00 0.00 179.45 177.52 2g54 h LYS 644 N 0.54 0.83 -0.14 1.90 1.63 -0.68 -0.77 116.57 119.87 2g54 h LYS 644 Ca 0.19 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2g54 h LYS 644 Cb 0.02 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 2g54 h LYS 644 CO -0.09 0.55 0.04 0.82 -3.45 0.00 0.00 179.45 177.32 2g54 h ILE 645 N 0.85 1.18 -0.65 2.00 2.04 -0.36 -1.71 117.51 120.86 2g54 h ILE 645 Ca 0.29 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2g54 h ILE 645 Cb 0.05 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2g54 h ILE 645 CO -0.12 0.17 0.15 0.40 0.00 0.00 0.00 178.15 178.75 2g54 h ILE 646 N 0.05 1.25 -0.13 -0.67 1.08 -0.90 -1.18 117.51 117.00 2g54 h ILE 646 Ca 0.05 -0.94 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2g54 h ILE 646 Cb 0.23 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 2g54 h ILE 646 CO -0.00 0.36 0.02 -0.33 -0.69 0.00 0.00 178.15 177.50 2g54 h GLU 647 N 0.99 0.23 0.00 2.37 5.08 -1.06 -2.36 114.58 119.82 2g54 h GLU 647 Ca 0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2g54 h GLU 647 Cb 0.36 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2g54 h GLU 647 CO 0.00 0.43 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.16 2g54 h LYS 648 N -0.01 0.00 -0.35 2.33 3.64 -1.22 -1.69 116.57 119.27 2g54 h LYS 648 Ca 0.04 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 2g54 h LYS 648 Cb 0.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2g54 h LYS 648 CO 0.00 0.07 -0.40 1.98 -2.27 0.00 0.00 179.45 178.83 2g54 h MET 649 N 0.00 0.90 -0.63 1.90 4.05 -0.81 -2.04 114.93 118.30 2g54 h MET 649 Ca -0.00 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 2g54 h MET 649 Cb 0.41 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2g54 h MET 649 CO 0.01 1.14 0.00 0.00 0.23 0.00 0.00 176.91 178.29 2g54 n ALA 650 N -2.54 2.39 -1.23 0.39 0.00 -0.89 -4.15 120.51 114.48 2g54 n ALA 650 Ca -0.03 -1.20 0.01 0.00 0.00 0.00 0.00 53.44 52.22 2g54 n ALA 650 Cb 0.55 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.09 2g54 n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2g54 n THR 651 N 1.61 0.26 -1.68 0.00 -2.24 -0.69 -4.40 114.28 107.15 2g54 n THR 651 Ca 0.23 -0.29 -0.49 0.00 -2.27 0.00 0.00 64.05 61.23 2g54 n THR 651 Cb 0.62 0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 2g54 n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2g54 n PHE 652 N -0.17 2.25 -3.89 4.78 7.35 -0.77 -4.97 117.46 122.05 2g54 n PHE 652 Ca 0.01 0.14 -0.35 0.00 -0.76 0.00 0.00 57.45 56.49 2g54 n PHE 652 Cb 0.55 -2.60 -0.14 0.00 0.35 0.00 0.00 39.48 37.64 2g54 n PHE 652 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2g54 s GLU 653 N 3.12 3.03 0.16 -4.13 2.02 -1.26 -5.07 118.70 116.56 2g54 s GLU 653 Ca 0.90 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 2g54 s GLU 653 Cb -0.74 -3.10 -0.07 0.00 0.10 0.00 0.00 34.13 30.31 2g54 s GLU 653 CO 0.50 -0.37 1.13 0.42 0.02 0.00 0.00 175.26 176.96 2g54 s ILE 654 N 1.41 3.86 -0.25 -1.63 1.01 -1.26 -5.01 121.20 119.33 2g54 s ILE 654 Ca 0.02 1.54 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 2g54 s ILE 654 Cb -0.16 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 2g54 s ILE 654 CO -0.02 0.24 0.45 -0.62 0.00 0.00 0.00 174.94 174.98 2g54 s ASP 655 N 0.14 6.38 0.19 3.58 3.68 -1.26 -4.97 116.67 124.41 2g54 s ASP 655 Ca 0.51 0.45 -0.13 0.00 2.13 0.00 0.00 52.55 55.52 2g54 s ASP 655 Cb -0.30 -2.25 0.19 0.00 -1.45 0.00 0.00 42.92 39.11 2g54 s ASP 655 CO 0.34 -0.21 1.72 -0.08 0.13 0.00 0.00 175.17 177.07 2g54 h GLU 656 N 7.92 0.22 0.32 4.34 4.81 -1.98 0.64 114.58 130.85 2g54 h GLU 656 Ca -0.31 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 2g54 h GLU 656 Cb 1.15 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2g54 h GLU 656 CO 0.69 0.15 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.70 2g54 h LYS 657 N 0.23 -0.49 -0.66 1.92 3.64 -2.00 0.51 116.57 119.72 2g54 h LYS 657 Ca 0.25 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.77 2g54 h LYS 657 Cb 0.33 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 2g54 h LYS 657 CO -0.32 -0.32 0.26 0.00 -2.27 0.00 0.00 179.45 176.79 2g54 h ARG 658 N -0.50 0.43 -0.36 1.90 2.47 -1.91 -1.19 114.38 115.21 2g54 h ARG 658 Ca -0.03 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.71 2g54 h ARG 658 Cb 0.42 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.61 2g54 h ARG 658 CO 0.03 0.28 0.13 0.35 0.56 0.00 0.00 179.97 181.32 2g54 h PHE 659 N 0.44 0.23 -0.19 3.04 3.57 -0.28 -1.10 116.94 122.64 2g54 h PHE 659 Ca 0.34 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2g54 h PHE 659 Cb 0.45 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2g54 h PHE 659 CO -0.16 0.09 0.06 1.49 -2.23 0.00 0.00 178.31 177.56 2g54 h GLU 660 N 0.28 0.29 -0.14 1.11 4.57 -0.11 -1.92 114.58 118.66 2g54 h GLU 660 Ca 0.17 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2g54 h GLU 660 Cb 0.14 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2g54 h GLU 660 CO -0.17 0.40 0.08 0.82 -1.18 0.00 0.00 179.01 178.95 2g54 h ILE 661 N 0.13 1.01 -0.26 2.32 2.04 -1.04 -2.03 117.51 119.69 2g54 h ILE 661 Ca 0.06 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 2g54 h ILE 661 Cb 0.22 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 2g54 h ILE 661 CO -0.00 0.03 -0.21 0.40 0.00 0.00 0.00 178.15 178.37 2g54 h ILE 662 N 0.17 1.25 -0.67 -0.67 2.04 -1.21 -1.95 117.51 116.48 2g54 h ILE 662 Ca 0.06 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 2g54 h ILE 662 Cb -0.00 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 2g54 h ILE 662 CO -0.03 0.38 0.19 0.50 0.00 0.00 0.00 178.15 179.19 2g54 h LYS 663 N 0.43 1.06 -0.60 2.37 3.64 -1.13 0.30 116.57 122.65 2g54 h LYS 663 Ca 0.07 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 2g54 h LYS 663 Cb 0.61 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 2g54 h LYS 663 CO 0.04 0.93 0.04 1.49 -2.27 0.00 0.00 179.45 179.69 2g54 h GLU 664 N 0.99 1.00 -0.46 1.90 4.22 -1.04 -1.15 114.58 120.05 2g54 h GLU 664 Ca 0.22 -0.28 -0.11 0.00 0.08 0.00 0.00 59.36 59.27 2g54 h GLU 664 Cb 0.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2g54 h GLU 664 CO -0.00 0.96 -0.14 0.00 -2.18 0.00 0.00 179.01 177.64 2g54 h ALA 665 N 1.11 0.88 -0.48 2.92 0.00 -0.90 -2.25 119.26 120.54 2g54 h ALA 665 Ca 0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2g54 h ALA 665 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2g54 h ALA 665 CO 0.02 0.63 -0.08 -0.92 0.00 0.00 0.00 179.25 178.91 2g54 h TYR 666 N 0.77 1.01 -0.19 0.00 3.20 -0.65 0.10 116.97 121.21 2g54 h TYR 666 Ca 0.12 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.80 2g54 h TYR 666 Cb 0.66 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2g54 h TYR 666 CO 0.04 0.97 0.10 1.98 -1.64 0.00 0.00 178.16 179.60 2g54 h MET 667 N 0.76 0.21 -0.67 1.82 4.05 -1.09 -0.07 114.93 119.93 2g54 h MET 667 Ca 0.13 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2g54 h MET 667 Cb 0.62 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 2g54 h MET 667 CO 0.04 0.14 0.40 -0.09 0.23 0.00 0.00 176.91 177.63 2g54 h ARG 668 N 0.21 0.91 -0.75 0.39 2.43 -1.24 -2.04 114.38 114.30 2g54 h ARG 668 Ca 0.07 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2g54 h ARG 668 Cb 0.01 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.32 2g54 h ARG 668 CO -0.04 0.65 0.47 1.03 -1.51 0.00 0.00 179.97 180.56 2g54 h SER 669 N 0.91 0.76 -0.41 -3.80 0.87 -0.22 0.63 113.55 112.28 2g54 h SER 669 Ca 0.24 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2g54 h SER 669 Cb -0.02 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 2g54 h SER 669 CO -0.04 0.51 0.10 -0.07 -0.53 0.00 0.00 176.83 176.79 2g54 h LEU 670 N 0.90 0.63 -0.95 2.23 3.38 -0.52 -2.94 115.31 118.03 2g54 h LEU 670 Ca 0.31 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2g54 h LEU 670 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2g54 h LEU 670 CO -0.13 0.70 -0.14 0.78 0.09 0.00 0.00 178.44 179.74 2g54 h ASN 671 N 0.53 0.59 0.10 -0.43 2.35 -0.99 -2.96 115.58 114.77 2g54 h ASN 671 Ca 0.13 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2g54 h ASN 671 Cb 0.32 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2g54 h ASN 671 CO 0.00 0.76 0.00 0.59 -1.65 0.00 0.00 177.43 177.13 2g54 n ASN 672 N -4.17 0.44 0.31 5.81 5.03 0.18 -1.94 115.26 120.92 2g54 n ASN 672 Ca 0.01 0.69 0.19 0.00 0.87 0.00 0.00 54.58 56.34 2g54 n ASN 672 Cb 0.36 -0.76 0.97 0.00 -1.02 0.00 0.00 39.78 39.33 2g54 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2g54 h PHE 673 N 0.00 0.00 0.00 3.10 3.57 -1.55 -1.12 116.94 120.94 2g54 h PHE 673 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2g54 h PHE 673 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2g54 h PHE 673 CO 0.00 0.02 -0.09 0.07 -2.23 0.00 0.00 178.31 176.07 2g54 h ARG 674 N 0.00 0.00 -0.01 1.11 0.11 -1.63 -2.00 114.38 111.96 2g54 h ARG 674 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2g54 h ARG 674 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2g54 h ARG 674 CO 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 179.97 180.14 2g54 n ALA 675 N -2.27 2.65 -1.49 0.08 0.00 -0.42 -4.37 120.51 114.68 2g54 n ALA 675 Ca -0.02 -0.38 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2g54 n ALA 675 Cb 0.21 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.49 2g54 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2g54 s GLU 676 N -2.07 2.42 0.63 0.00 0.41 -0.75 -4.90 118.70 114.44 2g54 s GLU 676 Ca 0.38 0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 55.64 2g54 s GLU 676 Cb 0.21 -1.94 -0.01 0.00 -1.78 0.00 0.00 34.13 30.61 2g54 s GLU 676 CO 0.37 -1.44 1.18 -0.65 -0.49 0.00 0.00 175.26 174.23 2g54 s GLN 677 N -5.05 2.76 0.22 1.61 -0.21 -1.26 -4.82 119.66 112.91 2g54 s GLN 677 Ca 0.60 1.72 -0.08 0.00 0.02 0.00 0.00 55.36 57.62 2g54 s GLN 677 Cb -0.15 -1.91 0.36 0.00 1.00 0.00 0.00 33.01 32.31 2g54 s GLN 677 CO 0.55 -1.34 1.69 -1.35 -2.12 0.00 0.00 175.29 172.72 2g54 h PRO 678 N 0.47 0.25 -0.00 2.91 0.11 -1.89 -0.13 132.00 133.72 2g54 h PRO 678 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2g54 h PRO 678 Cb 1.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2g54 h PRO 678 CO 0.54 0.16 -0.22 1.12 -0.21 0.00 0.00 178.00 179.39 2g54 h HIS 679 N 0.26 0.00 -0.04 0.65 2.07 -1.86 -0.10 115.15 116.13 2g54 h HIS 679 Ca 0.35 -0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.70 2g54 h HIS 679 Cb 0.56 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 2g54 h HIS 679 CO -0.26 0.22 -0.75 1.96 -3.07 0.00 0.00 177.93 176.03 2g54 h GLN 680 N 0.00 0.27 -0.41 5.12 4.20 -1.42 -2.19 115.11 120.68 2g54 h GLN 680 Ca -0.00 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.33 2g54 h GLN 680 Cb 0.39 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2g54 h GLN 680 CO 0.03 0.90 -0.28 0.45 -0.67 0.00 0.00 178.83 179.26 2g54 h HIS 681 N 0.18 1.03 0.04 2.96 3.86 -0.37 -2.03 115.15 120.83 2g54 h HIS 681 Ca -0.03 -0.26 0.01 0.00 -1.16 0.00 0.00 60.37 58.93 2g54 h HIS 681 Cb 1.32 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.54 2g54 h HIS 681 CO 0.03 1.05 -0.12 0.00 0.86 0.00 0.00 177.93 179.76 2g54 h ALA 682 N 0.92 -0.17 -0.96 2.45 0.00 -0.85 0.59 119.26 121.25 2g54 h ALA 682 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2g54 h ALA 682 Cb 0.84 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2g54 h ALA 682 CO 0.07 -0.63 0.64 0.52 0.00 0.00 0.00 179.25 179.85 2g54 h MET 683 N -0.23 1.26 -0.10 0.00 2.07 -1.37 -1.51 114.93 115.05 2g54 h MET 683 Ca 0.03 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 2g54 h MET 683 Cb 0.26 -0.28 -0.00 0.00 -1.87 0.00 0.00 31.60 29.70 2g54 h MET 683 CO -0.09 0.83 0.06 -0.92 1.07 0.00 0.00 176.91 177.87 2g54 h TYR 684 N 1.30 0.13 -0.73 -0.22 3.20 -0.74 -2.19 116.97 117.72 2g54 h TYR 684 Ca 0.35 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.17 2g54 h TYR 684 Cb -0.15 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 2g54 h TYR 684 CO -0.00 0.12 0.25 1.88 -1.64 0.00 0.00 178.16 178.77 2g54 h TYR 685 N 0.11 1.14 -0.55 -3.82 0.05 -0.54 -2.60 116.97 110.76 2g54 h TYR 685 Ca 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2g54 h TYR 685 Cb 0.02 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 2g54 h TYR 685 CO -0.06 0.89 0.25 1.25 -1.05 0.00 0.00 178.16 179.44 2g54 h LEU 686 N 1.08 0.73 -0.89 3.88 5.85 -1.14 -0.92 115.31 123.91 2g54 h LEU 686 Ca 0.24 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2g54 h LEU 686 Cb 0.26 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2g54 h LEU 686 CO -0.01 0.67 0.59 -0.09 -0.34 0.00 0.00 178.44 179.26 2g54 h ARG 687 N 0.74 1.15 -0.57 1.25 2.43 -1.18 0.28 114.38 118.48 2g54 h ARG 687 Ca 0.19 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2g54 h ARG 687 Cb 0.15 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2g54 h ARG 687 CO -0.02 0.76 0.07 -0.07 -1.51 0.00 0.00 179.97 179.20 2g54 h LEU 688 N 1.19 0.89 -0.34 3.80 3.38 -1.12 -2.11 115.31 120.99 2g54 h LEU 688 Ca 0.33 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2g54 h LEU 688 Cb -0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 2g54 h LEU 688 CO -0.08 0.91 -0.24 -0.07 0.09 0.00 0.00 178.44 179.05 2g54 h LEU 689 N 0.88 0.81 0.00 1.67 4.07 -0.30 -3.32 115.31 119.12 2g54 h LEU 689 Ca 0.18 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2g54 h LEU 689 Cb 0.42 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2g54 h LEU 689 CO 0.01 1.07 -0.63 0.23 -1.08 0.00 0.00 178.44 178.05 2g54 n MET 690 N -4.25 0.22 -3.65 1.13 2.81 0.00 -4.80 117.12 108.59 2g54 n MET 690 Ca -0.03 0.06 -0.36 0.00 -1.81 0.00 0.00 57.70 55.56 2g54 n MET 690 Cb 0.45 -1.63 -0.07 0.00 -0.71 0.00 0.00 33.22 31.26 2g54 n MET 690 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2g54 s THR 691 N -3.13 5.35 0.21 2.03 -1.32 -0.80 -0.57 115.64 117.41 2g54 s THR 691 Ca 0.07 0.40 -0.19 0.00 -1.21 0.00 0.00 61.69 60.76 2g54 s THR 691 Cb 0.14 -3.55 0.19 0.00 -1.51 0.00 0.00 72.50 67.77 2g54 s THR 691 CO 0.72 0.45 1.57 -0.08 -2.21 0.00 0.00 174.62 175.07 2g54 h GLU 692 N 6.31 -0.08 -4.93 7.08 4.81 -1.43 -3.39 114.58 122.94 2g54 h GLU 692 Ca -0.44 0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.26 2g54 h GLU 692 Cb 1.17 0.02 -0.32 0.00 0.63 0.00 0.00 28.75 30.25 2g54 h GLU 692 CO 0.72 -0.06 -0.83 0.08 -0.73 0.00 0.00 179.01 178.20 2g54 s VAL 693 N -5.99 1.32 -0.30 0.32 1.01 -1.26 -5.04 120.40 110.45 2g54 s VAL 693 Ca -0.14 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 2g54 s VAL 693 Cb 0.18 -1.16 0.16 0.00 0.00 0.00 0.00 36.38 35.56 2g54 s VAL 693 CO 0.71 0.39 0.86 0.00 0.00 0.00 0.00 175.10 177.06 2g54 s ALA 694 N 0.35 -2.55 -0.04 5.51 0.00 -1.26 -5.09 121.76 118.68 2g54 s ALA 694 Ca -0.10 2.06 -0.25 0.00 0.00 0.00 0.00 51.96 53.68 2g54 s ALA 694 Cb -0.14 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2g54 s ALA 694 CO 0.03 -1.03 0.75 -1.58 0.00 0.00 0.00 175.76 173.94 2g54 s TRP 695 N 2.66 3.62 0.71 0.00 0.52 -1.26 -5.02 118.94 120.17 2g54 s TRP 695 Ca -0.01 1.36 -0.11 0.00 0.02 0.00 0.00 56.10 57.35 2g54 s TRP 695 Cb -0.09 -2.85 0.02 0.00 -1.15 0.00 0.00 33.47 29.39 2g54 s TRP 695 CO -0.18 0.11 1.07 0.95 0.02 0.00 0.00 176.95 178.92 2g54 s THR 696 N 0.68 3.81 0.30 2.01 -4.23 -1.26 -4.88 115.64 112.06 2g54 s THR 696 Ca 0.40 0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2g54 s THR 696 Cb -0.19 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.40 2g54 s THR 696 CO 0.20 -0.77 1.87 0.11 -0.54 0.00 0.00 174.62 175.50 2g54 h LYS 697 N -0.72 0.84 -0.58 3.99 1.57 -1.96 -1.21 116.57 118.51 2g54 h LYS 697 Ca -0.45 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.16 2g54 h LYS 697 Cb 1.23 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2g54 h LYS 697 CO 0.60 0.71 0.22 -0.44 -0.57 0.00 0.00 179.45 179.96 2g54 h ASP 698 N 0.83 0.78 -0.36 0.86 3.32 -1.93 0.72 116.42 120.64 2g54 h ASP 698 Ca 0.20 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 2g54 h ASP 698 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2g54 h ASP 698 CO -0.02 0.71 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.55 2g54 h GLU 699 N 0.84 0.90 -0.25 3.56 5.08 -1.77 -1.22 114.58 121.72 2g54 h GLU 699 Ca 0.20 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2g54 h GLU 699 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2g54 h GLU 699 CO -0.02 1.09 0.12 -0.07 -1.00 0.00 0.00 179.01 179.14 2g54 h LEU 700 N 0.74 0.32 -0.65 1.33 4.07 -0.49 -0.82 115.31 119.81 2g54 h LEU 700 Ca 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.89 2g54 h LEU 700 Cb 0.92 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.54 2g54 h LEU 700 CO 0.08 0.35 0.30 0.11 -1.08 0.00 0.00 178.44 178.20 2g54 h LYS 701 N 0.27 0.94 -0.04 1.13 1.57 -0.84 -1.90 116.57 117.70 2g54 h LYS 701 Ca 0.08 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2g54 h LYS 701 Cb 0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2g54 h LYS 701 CO -0.01 0.76 -0.19 1.49 -0.57 0.00 0.00 179.45 180.93 2g54 h GLU 702 N 0.90 -0.27 0.00 3.15 4.57 -0.91 -1.84 114.58 120.18 2g54 h GLU 702 Ca 0.22 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 2g54 h GLU 702 Cb 0.14 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2g54 h GLU 702 CO -0.03 -0.18 0.00 0.00 -1.18 0.00 0.00 179.01 177.62 2g54 n ALA 703 N -2.57 2.37 0.05 2.92 0.00 -0.34 -3.52 120.51 119.41 2g54 n ALA 703 Ca -0.04 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 2g54 n ALA 703 Cb 0.24 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 2g54 n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2g54 h LEU 704 N 0.00 0.61 -3.90 0.00 5.85 -0.50 -3.24 115.31 114.14 2g54 h LEU 704 Ca 0.00 -0.45 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 2g54 h LEU 704 Cb 0.11 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2g54 h LEU 704 CO 0.00 1.23 -0.22 0.47 -0.34 0.00 0.00 178.44 179.57 2g54 n ASP 705 N -3.82 4.65 0.00 1.25 9.92 -1.23 -1.57 116.55 125.75 2g54 n ASP 705 Ca -0.06 -2.34 0.00 0.00 -0.53 0.00 0.00 54.79 51.86 2g54 n ASP 705 Cb 0.78 -1.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 2g54 n ASP 705 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2g54 n ASP 706 N 2.34 0.00 -4.58 -2.24 9.92 -1.22 -5.05 116.55 115.71 2g54 n ASP 706 Ca 0.30 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 54.14 2g54 n ASP 706 Cb 0.73 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.18 2g54 n ASP 706 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2g54 s VAL 707 N -0.39 3.55 0.29 2.53 1.01 -0.61 -4.96 120.40 121.82 2g54 s VAL 707 Ca 0.00 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.57 2g54 s VAL 707 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2g54 s VAL 707 CO 0.00 -0.68 0.10 0.42 0.00 0.00 0.00 175.10 174.94 2g54 s THR 708 N 7.15 3.51 0.17 3.92 -4.23 -1.26 -5.00 115.64 119.90 2g54 s THR 708 Ca 0.70 -1.70 -0.15 0.00 -1.18 0.00 0.00 61.69 59.36 2g54 s THR 708 Cb -0.17 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.70 2g54 s THR 708 CO 0.29 -0.29 1.77 0.25 -0.54 0.00 0.00 174.62 176.10 2g54 h LEU 709 N 1.65 0.27 -0.50 4.79 5.85 -1.99 -0.35 115.31 125.03 2g54 h LEU 709 Ca -0.45 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.35 2g54 h LEU 709 Cb 1.25 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2g54 h LEU 709 CO 0.61 0.20 0.23 -0.65 -0.34 0.00 0.00 178.44 178.49 2g54 h PRO 710 N 0.40 0.43 -0.88 5.25 0.11 -1.99 -0.29 132.00 135.03 2g54 h PRO 710 Ca 0.19 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2g54 h PRO 710 Cb 0.12 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2g54 h PRO 710 CO -0.15 0.29 0.47 0.00 -0.21 0.00 0.00 178.00 178.40 2g54 h ARG 711 N 0.45 1.24 -0.38 1.05 3.08 -1.79 -1.52 114.38 116.51 2g54 h ARG 711 Ca 0.23 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2g54 h ARG 711 Cb 0.17 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2g54 h ARG 711 CO -0.18 0.91 -0.00 1.25 -1.07 0.00 0.00 179.97 180.88 2g54 h LEU 712 N 1.24 0.66 -1.08 3.04 6.46 -0.39 -0.01 115.31 125.24 2g54 h LEU 712 Ca 0.31 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 2g54 h LEU 712 Cb 0.04 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 2g54 h LEU 712 CO -0.05 0.81 0.32 0.11 -0.62 0.00 0.00 178.44 179.01 2g54 h LYS 713 N 0.50 0.97 -0.01 1.25 1.57 -0.82 -1.90 116.57 118.13 2g54 h LYS 713 Ca 0.11 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2g54 h LYS 713 Cb 0.47 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2g54 h LYS 713 CO 0.02 0.76 -0.68 0.00 -0.57 0.00 0.00 179.45 178.98 2g54 h ALA 714 N 1.38 0.84 -0.05 3.86 0.00 -1.07 -3.30 119.26 120.93 2g54 h ALA 714 Ca 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2g54 h ALA 714 Cb 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2g54 h ALA 714 CO -0.03 0.83 0.02 0.35 0.00 0.00 0.00 179.25 180.42 2g54 h PHE 715 N 0.05 0.07 -0.09 0.00 3.57 -0.21 -3.25 116.94 117.08 2g54 h PHE 715 Ca -0.01 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2g54 h PHE 715 Cb 1.21 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.87 2g54 h PHE 715 CO 0.01 0.18 -0.54 0.82 -2.23 0.00 0.00 178.31 176.54 2g54 h ILE 716 N -0.05 0.00 -0.12 1.41 2.04 -1.51 0.34 117.51 119.62 2g54 h ILE 716 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2g54 h ILE 716 Cb 0.13 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2g54 h ILE 716 CO -0.00 0.00 0.10 1.55 0.00 0.00 0.00 178.15 179.80 2g54 h PRO 717 N -0.62 0.00 -0.22 2.37 0.13 -1.72 -0.66 132.00 131.28 2g54 h PRO 717 Ca 0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.95 2g54 h PRO 717 Cb 0.70 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.83 2g54 h PRO 717 CO -0.41 0.00 -0.65 0.37 -0.23 0.00 0.00 178.00 177.08 2g54 h GLN 718 N 0.00 0.82 -0.50 0.86 5.75 -1.31 -0.89 115.11 119.84 2g54 h GLN 718 Ca 0.06 -0.60 -0.08 0.00 -0.15 0.00 0.00 58.65 57.88 2g54 h GLN 718 Cb 0.26 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 2g54 h GLN 718 CO -0.00 1.22 -0.03 1.25 -2.65 0.00 0.00 178.83 178.62 2g54 h LEU 719 N 0.58 0.83 0.00 -2.39 7.12 0.44 -3.11 115.31 118.78 2g54 h LEU 719 Ca -0.02 -0.22 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2g54 h LEU 719 Cb 1.27 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 2g54 h LEU 719 CO 0.14 0.91 -0.58 0.18 -0.13 0.00 0.00 178.44 178.96 2g54 n LEU 720 N -4.19 0.69 -0.27 2.25 4.32 -0.44 -4.24 117.00 115.11 2g54 n LEU 720 Ca 0.02 0.24 -0.03 0.00 -0.02 0.00 0.00 56.01 56.22 2g54 n LEU 720 Cb 0.33 -0.20 0.08 0.00 -1.62 0.00 0.00 43.42 42.01 2g54 n LEU 720 CO 0.43 -0.05 1.18 0.77 -1.22 0.00 0.00 177.39 178.49 2g54 h SER 721 N 0.00 0.82 -3.27 -1.43 4.64 -1.08 -3.38 113.55 109.85 2g54 h SER 721 Ca 0.00 -0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 60.73 2g54 h SER 721 Cb 0.73 -0.19 -0.35 0.00 -0.31 0.00 0.00 62.40 62.28 2g54 h SER 721 CO 0.00 0.57 -0.83 -0.60 -0.87 0.00 0.00 176.83 175.10 2g54 s ARG 722 N -6.12 2.14 0.18 4.77 6.06 -1.26 -0.05 118.95 124.67 2g54 s ARG 722 Ca -0.13 -0.53 -0.12 0.00 -2.50 0.00 0.00 55.73 52.45 2g54 s ARG 722 Cb 0.16 -1.84 0.01 0.00 0.06 0.00 0.00 34.95 33.33 2g54 s ARG 722 CO 0.78 -0.08 0.38 -0.51 -2.50 0.00 0.00 175.30 173.37 2g54 s LEU 723 N 1.03 0.62 -0.02 -0.88 1.43 -0.85 -4.72 118.68 115.29 2g54 s LEU 723 Ca -0.06 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2g54 s LEU 723 Cb -0.15 1.56 0.02 0.00 0.03 0.00 0.00 46.19 47.66 2g54 s LEU 723 CO -0.02 -0.96 0.00 -2.28 0.23 0.00 0.00 176.35 173.32 2g54 s HIS 724 N -3.93 0.20 -0.22 0.29 5.65 -1.14 -2.40 115.29 113.72 2g54 s HIS 724 Ca 0.14 0.03 -0.01 0.00 0.25 0.00 0.00 55.06 55.47 2g54 s HIS 724 Cb 0.02 -0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.16 2g54 s HIS 724 CO -0.01 -0.08 -0.10 0.42 -0.65 0.00 0.00 174.74 174.31 2g54 s ILE 725 N 0.75 2.64 -0.22 0.89 1.01 -0.01 -0.91 121.20 125.35 2g54 s ILE 725 Ca -0.07 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.55 2g54 s ILE 725 Cb -0.10 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2g54 s ILE 725 CO -0.02 0.31 -0.01 -0.70 0.00 0.00 0.00 174.94 174.52 2g54 s GLU 726 N 1.32 3.50 0.28 2.79 2.12 -0.72 0.38 118.70 128.35 2g54 s GLU 726 Ca 0.02 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 54.85 2g54 s GLU 726 Cb -0.16 -3.08 -0.06 0.00 0.26 0.00 0.00 34.13 31.10 2g54 s GLU 726 CO -0.07 -0.12 -0.09 0.00 -0.54 0.00 0.00 175.26 174.44 2g54 s ALA 727 N 1.34 2.43 -0.16 6.30 0.00 0.08 -0.88 121.76 130.87 2g54 s ALA 727 Ca 0.04 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.06 2g54 s ALA 727 Cb -0.15 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.10 2g54 s ALA 727 CO -0.00 0.01 0.08 -1.17 0.00 0.00 0.00 175.76 174.68 2g54 s LEU 728 N -3.46 0.40 -0.34 0.00 0.20 0.05 -0.98 118.68 114.55 2g54 s LEU 728 Ca 0.29 -0.58 -0.07 0.00 0.69 0.00 0.00 54.13 54.46 2g54 s LEU 728 Cb 0.02 -0.26 0.04 0.00 -0.43 0.00 0.00 46.19 45.55 2g54 s LEU 728 CO 0.12 -0.34 0.11 -0.76 -0.29 0.00 0.00 176.35 175.19 2g54 s LEU 729 N 2.12 4.31 -0.05 -0.68 1.02 -0.17 -1.13 118.68 124.10 2g54 s LEU 729 Ca 0.02 -1.08 0.01 0.00 0.02 0.00 0.00 54.13 53.09 2g54 s LEU 729 Cb -0.16 -1.89 0.02 0.00 0.02 0.00 0.00 46.19 44.19 2g54 s LEU 729 CO -0.09 -0.32 -0.04 -2.28 0.02 0.00 0.00 176.35 173.65 2g54 s HIS 730 N 1.43 0.77 -5.00 0.29 2.46 -0.44 -2.08 115.29 112.72 2g54 s HIS 730 Ca -0.01 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.30 2g54 s HIS 730 Cb -0.19 -0.71 0.00 0.00 -0.13 0.00 0.00 32.58 31.55 2g54 s HIS 730 CO 0.03 -0.23 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 2g54 n GLY 731 N 4.27 0.25 3.33 1.59 0.00 -1.07 0.28 105.19 113.84 2g54 n GLY 731 Ca -0.21 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 2g54 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g54 n ASN 732 N 0.00 4.25 -3.63 1.61 4.05 0.02 -0.93 115.26 120.62 2g54 n ASN 732 Ca 0.00 -2.85 -0.15 0.00 0.45 0.00 0.00 54.58 52.03 2g54 n ASN 732 Cb 0.00 -1.68 -0.07 0.00 1.23 0.00 0.00 39.78 39.26 2g54 n ASN 732 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 2g54 s ILE 733 N 4.91 0.03 0.39 -1.44 2.07 -1.26 -4.87 121.20 121.03 2g54 s ILE 733 Ca 0.54 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 59.53 2g54 s ILE 733 Cb 0.07 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 41.78 2g54 s ILE 733 CO 0.05 -0.15 0.58 0.42 -1.91 0.00 0.00 174.94 173.92 2g54 s THR 734 N -1.71 4.13 0.12 4.00 -4.23 -1.26 -4.51 115.64 112.17 2g54 s THR 734 Ca -0.10 -0.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.50 2g54 s THR 734 Cb -0.02 -3.49 -0.06 0.00 1.34 0.00 0.00 72.50 70.27 2g54 s THR 734 CO 0.04 -0.28 1.71 0.50 -0.54 0.00 0.00 174.62 176.05 2g54 h LYS 735 N 0.63 -0.01 -0.90 3.99 3.64 -2.00 0.45 116.57 122.38 2g54 h LYS 735 Ca -0.46 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 58.95 2g54 h LYS 735 Cb 1.25 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2g54 h LYS 735 CO 0.56 -0.00 0.59 0.37 -2.27 0.00 0.00 179.45 178.70 2g54 h GLN 736 N -0.01 1.09 -0.52 1.90 5.75 -1.99 -0.12 115.11 121.22 2g54 h GLN 736 Ca 0.07 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 2g54 h GLN 736 Cb 0.11 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2g54 h GLN 736 CO -0.14 0.72 -0.03 0.00 -2.65 0.00 0.00 178.83 176.72 2g54 h ALA 737 N 1.48 0.70 -0.30 3.38 0.00 -1.80 -0.49 119.26 122.23 2g54 h ALA 737 Ca 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2g54 h ALA 737 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2g54 h ALA 737 CO -0.11 0.54 0.19 0.00 0.00 0.00 0.00 179.25 179.87 2g54 h ALA 738 N 0.93 0.38 -0.47 0.00 0.00 0.17 0.20 119.26 120.47 2g54 h ALA 738 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2g54 h ALA 738 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2g54 h ALA 738 CO 0.03 -0.13 0.26 -0.07 0.00 0.00 0.00 179.25 179.34 2g54 h LEU 739 N 0.39 0.57 -0.48 0.00 3.38 -0.92 -1.62 115.31 116.63 2g54 h LEU 739 Ca 0.11 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2g54 h LEU 739 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2g54 h LEU 739 CO -0.02 0.46 -0.18 1.23 0.09 0.00 0.00 178.44 180.01 2g54 h GLY 740 N 0.72 1.05 0.81 0.83 0.00 -0.01 -1.37 103.07 105.10 2g54 h GLY 740 Ca 0.17 -0.91 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 2g54 h GLY 740 CO -0.03 0.83 0.02 -2.22 0.00 0.00 0.00 176.54 175.15 2g54 h ILE 741 N 0.82 1.22 -0.43 2.60 2.04 -0.41 -1.50 117.51 121.85 2g54 h ILE 741 Ca 0.11 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.30 2g54 h ILE 741 Cb 0.76 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2g54 h ILE 741 CO 0.06 0.21 0.24 -0.03 0.00 0.00 0.00 178.15 178.63 2g54 h MET 742 N 0.02 0.47 -0.85 2.37 4.05 -1.29 -1.68 114.93 118.03 2g54 h MET 742 Ca 0.04 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.47 2g54 h MET 742 Cb 0.30 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.94 2g54 h MET 742 CO 0.00 0.31 0.55 1.96 0.23 0.00 0.00 176.91 179.96 2g54 h GLN 743 N 0.48 1.03 -0.63 0.39 1.08 -1.15 -1.31 115.11 115.01 2g54 h GLN 743 Ca 0.18 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2g54 h GLN 743 Cb 0.04 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 2g54 h GLN 743 CO -0.10 0.68 0.21 1.98 -0.95 0.00 0.00 178.83 180.66 2g54 h MET 744 N 1.06 0.96 -0.03 1.46 4.05 -0.70 0.10 114.93 121.83 2g54 h MET 744 Ca 0.34 -0.20 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2g54 h MET 744 Cb 0.00 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.66 2g54 h MET 744 CO -0.11 0.84 0.02 0.28 0.23 0.00 0.00 176.91 178.17 2g54 h VAL 745 N 0.89 1.06 0.54 -5.77 2.07 -0.72 -1.35 116.25 112.97 2g54 h VAL 745 Ca 0.20 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2g54 h VAL 745 Cb 0.27 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2g54 h VAL 745 CO -0.01 0.05 -0.34 -0.33 0.02 0.00 0.00 177.57 176.96 2g54 h GLU 746 N -0.02 -0.81 -0.95 1.57 5.08 -1.07 -1.94 114.58 116.44 2g54 h GLU 746 Ca 0.01 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.61 2g54 h GLU 746 Cb 0.06 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 2g54 h GLU 746 CO -0.00 -0.54 0.54 -0.44 -1.00 0.00 0.00 179.01 177.57 2g54 h ASP 747 N -0.84 0.66 -0.29 1.42 3.45 -0.93 0.22 116.42 120.11 2g54 h ASP 747 Ca -0.06 0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 2g54 h ASP 747 Cb 0.69 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 2g54 h ASP 747 CO 0.06 0.22 0.01 0.74 -1.57 0.00 0.00 179.24 178.70 2g54 h THR 748 N 0.67 1.25 -0.33 0.35 2.02 -1.00 0.61 112.91 116.49 2g54 h THR 748 Ca 0.55 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 2g54 h THR 748 Cb 0.88 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2g54 h THR 748 CO -0.40 0.29 0.07 -0.07 0.37 0.00 0.00 175.52 175.78 2g54 h LEU 749 N 0.30 0.51 -0.22 2.58 3.38 -0.45 -1.69 115.31 119.71 2g54 h LEU 749 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2g54 h LEU 749 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2g54 h LEU 749 CO 0.01 0.61 0.13 0.40 0.09 0.00 0.00 178.44 179.69 2g54 h ILE 750 N 0.38 1.08 -0.51 1.22 2.04 -0.51 0.67 117.51 121.88 2g54 h ILE 750 Ca 0.10 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2g54 h ILE 750 Cb 0.31 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2g54 h ILE 750 CO 0.00 0.08 0.02 -0.08 0.00 0.00 0.00 178.15 178.18 2g54 h GLU 751 N 0.27 0.88 0.00 2.37 4.81 -0.83 0.12 114.58 122.20 2g54 h GLU 751 Ca 0.08 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2g54 h GLU 751 Cb 0.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2g54 h GLU 751 CO -0.01 0.90 -1.80 0.72 -0.73 0.00 0.00 179.01 178.08 2g54 n HIS 752 N -4.34 0.42 0.09 0.92 8.25 -0.64 -4.48 115.22 115.44 2g54 n HIS 752 Ca 0.01 0.14 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 2g54 n HIS 752 Cb 0.30 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.55 2g54 n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2g54 n ALA 753 N -2.42 2.44 -2.82 -1.41 0.00 0.23 -4.80 120.51 111.73 2g54 n ALA 753 Ca -0.13 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 2g54 n ALA 753 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.18 2g54 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2g54 n HIS 754 N -0.16 -1.59 -1.73 0.00 -0.00 0.42 -4.52 115.22 107.64 2g54 n HIS 754 Ca 0.01 0.24 -0.41 0.00 -0.00 0.00 0.00 57.72 57.57 2g54 n HIS 754 Cb 0.05 -3.32 0.01 0.00 -0.00 0.00 0.00 29.99 26.73 2g54 n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2g54 n THR 755 N -3.85 2.54 -4.21 1.59 -1.04 -1.21 -4.88 114.28 103.21 2g54 n THR 755 Ca -0.11 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.24 2g54 n THR 755 Cb 0.60 -1.70 -0.11 0.00 -1.82 0.00 0.00 70.33 67.30 2g54 n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2g54 s LYS 756 N -2.25 0.95 0.37 -2.82 1.02 0.93 -4.65 119.74 113.29 2g54 s LYS 756 Ca 0.60 -1.24 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 2g54 s LYS 756 Cb -0.49 -0.68 -0.10 0.00 -0.52 0.00 0.00 37.83 36.03 2g54 s LYS 756 CO 0.59 0.11 1.41 -2.14 -0.92 0.00 0.00 175.35 174.40 2g54 s PRO 757 N -2.93 4.12 0.74 -1.68 0.02 -1.26 -2.01 135.00 132.00 2g54 s PRO 757 Ca 0.09 2.40 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2g54 s PRO 757 Cb -0.03 -2.94 0.04 0.00 0.02 0.00 0.00 34.50 31.59 2g54 s PRO 757 CO 0.01 -0.46 1.10 -0.51 -0.33 0.00 0.00 177.00 176.81 2g54 s LEU 758 N -2.11 2.79 0.23 -5.54 1.43 -1.01 -4.77 118.68 109.70 2g54 s LEU 758 Ca 0.53 1.19 -0.20 0.00 -1.03 0.00 0.00 54.13 54.62 2g54 s LEU 758 Cb -0.43 -3.92 -0.08 0.00 0.03 0.00 0.00 46.19 41.79 2g54 s LEU 758 CO 0.58 -1.58 0.73 -0.76 0.23 0.00 0.00 176.35 175.55 2g54 s LEU 759 N -5.52 4.33 0.53 1.79 2.01 -1.26 -4.92 118.68 115.64 2g54 s LEU 759 Ca 0.59 1.42 0.19 0.00 0.01 0.00 0.00 54.13 56.34 2g54 s LEU 759 Cb -0.12 -3.61 1.32 0.00 0.01 0.00 0.00 46.19 43.79 2g54 s LEU 759 CO 0.53 0.02 2.11 1.55 1.01 0.00 0.00 176.35 181.57 2g54 h PRO 760 N 3.38 0.00 0.00 1.29 0.13 -1.96 -0.04 132.00 134.80 2g54 h PRO 760 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2g54 h PRO 760 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2g54 h PRO 760 CO 0.65 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.29 2g54 n SER 761 N -4.47 0.45 0.08 1.44 3.41 -1.26 -2.49 113.62 110.79 2g54 n SER 761 Ca 0.01 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2g54 n SER 761 Cb 0.24 -0.70 0.11 0.00 -0.26 0.00 0.00 64.21 63.60 2g54 n SER 761 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2g54 h GLN 762 N 0.00 0.00 -4.33 4.33 4.20 -1.38 -3.40 115.11 114.53 2g54 h GLN 762 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2g54 h GLN 762 Cb 0.36 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2g54 h GLN 762 CO 0.00 0.00 2.83 1.28 -0.67 0.00 0.00 178.83 182.27 2g54 n LEU 763 N -2.36 6.06 -4.81 1.46 7.99 -1.04 -4.86 117.00 119.45 2g54 n LEU 763 Ca 0.02 -3.87 -0.37 0.00 -0.01 0.00 0.00 56.01 51.78 2g54 n LEU 763 Cb 0.48 -1.58 -0.06 0.00 -0.11 0.00 0.00 43.42 42.16 2g54 n LEU 763 CO 0.37 0.66 0.37 -0.69 -1.51 0.00 0.00 177.39 176.60 2g54 s VAL 764 N 3.84 4.61 0.09 4.08 1.01 -1.26 -5.08 120.40 127.68 2g54 s VAL 764 Ca 0.50 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.87 2g54 s VAL 764 Cb 0.13 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2g54 s VAL 764 CO -0.03 0.38 -0.19 -0.13 0.00 0.00 0.00 175.10 175.12 2g54 s ARG 765 N -1.56 1.85 0.40 2.72 1.81 -1.26 -5.03 118.95 117.89 2g54 s ARG 765 Ca 0.37 -1.12 -0.17 0.00 -1.72 0.00 0.00 55.73 53.09 2g54 s ARG 765 Cb -0.19 -2.11 -0.09 0.00 -0.45 0.00 0.00 34.95 32.11 2g54 s ARG 765 CO 0.21 0.50 0.86 0.71 -0.68 0.00 0.00 175.30 176.90 2g54 s TYR 766 N -1.03 3.37 0.32 -0.53 4.12 -1.26 -5.06 117.35 117.28 2g54 s TYR 766 Ca 0.16 1.38 0.08 0.00 0.02 0.00 0.00 57.07 58.70 2g54 s TYR 766 Cb -0.10 -2.68 -0.03 0.00 -1.52 0.00 0.00 41.96 37.62 2g54 s TYR 766 CO 0.07 -0.08 0.21 1.03 0.02 0.00 0.00 175.55 176.80 2g54 s ARG 767 N -3.34 2.63 0.01 -0.62 0.52 -1.26 -4.82 118.95 112.06 2g54 s ARG 767 Ca 0.57 -1.33 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 2g54 s ARG 767 Cb -0.10 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 2g54 s ARG 767 CO 0.20 0.18 0.25 -2.00 0.02 0.00 0.00 175.30 173.95 2g54 s GLU 768 N -3.90 3.55 0.52 3.54 2.12 -1.26 -1.07 118.70 122.20 2g54 s GLU 768 Ca 0.38 -0.13 -0.23 0.00 0.36 0.00 0.00 54.97 55.35 2g54 s GLU 768 Cb -0.05 -3.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.20 2g54 s GLU 768 CO 0.25 0.65 1.37 0.08 -0.54 0.00 0.00 175.26 177.07 2g54 s VAL 769 N -1.32 2.09 -0.41 3.70 1.01 0.26 -1.38 120.40 124.37 2g54 s VAL 769 Ca 0.28 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 2g54 s VAL 769 Cb -0.13 -3.04 0.07 0.00 0.00 0.00 0.00 36.38 33.28 2g54 s VAL 769 CO 0.17 0.00 0.24 -1.58 0.00 0.00 0.00 175.10 173.93 2g54 s GLN 770 N -2.78 2.62 0.44 2.72 0.74 0.19 -4.70 119.66 118.89 2g54 s GLN 770 Ca 0.68 -1.39 -0.23 0.00 0.05 0.00 0.00 55.36 54.47 2g54 s GLN 770 Cb -0.41 -3.74 -0.08 0.00 1.10 0.00 0.00 33.01 29.88 2g54 s GLN 770 CO 0.50 -0.90 1.14 -0.51 -0.55 0.00 0.00 175.29 174.97 2g54 s LEU 771 N 1.43 4.05 0.37 3.68 2.01 -1.26 -4.22 118.68 124.73 2g54 s LEU 771 Ca 0.02 2.24 -0.24 0.00 0.01 0.00 0.00 54.13 56.16 2g54 s LEU 771 Cb -0.22 -4.23 -0.10 0.00 0.01 0.00 0.00 46.19 41.65 2g54 s LEU 771 CO 0.03 -0.81 0.95 -2.16 1.01 0.00 0.00 176.35 175.37 2g54 s PRO 772 N -2.65 4.42 0.29 1.29 0.04 -1.26 -4.95 135.00 132.19 2g54 s PRO 772 Ca 0.62 1.27 -0.29 0.00 0.04 0.00 0.00 61.00 62.64 2g54 s PRO 772 Cb -0.27 -2.56 -0.13 0.00 0.04 0.00 0.00 34.50 31.58 2g54 s PRO 772 CO 0.33 0.14 1.25 -0.25 0.04 0.00 0.00 177.00 178.50 2g54 n ASP 773 N 0.08 2.34 0.00 6.66 10.43 -1.26 -1.14 116.55 133.65 2g54 n ASP 773 Ca 0.04 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.58 2g54 n ASP 773 Cb 0.51 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 42.07 2g54 n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2g54 n ARG 774 N 1.04 -1.32 -3.23 -1.24 1.74 0.12 -4.87 116.66 108.89 2g54 n ARG 774 Ca 0.08 0.33 -0.33 0.00 -0.77 0.00 0.00 57.85 57.16 2g54 n ARG 774 Cb 0.33 -4.42 -0.06 0.00 -1.02 0.00 0.00 32.46 27.29 2g54 n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2g54 s GLY 775 N -2.00 2.35 -0.08 -0.13 0.00 -0.30 -4.98 107.32 102.19 2g54 s GLY 775 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2g54 s GLY 775 CO 0.00 0.16 0.14 0.86 0.00 0.00 0.00 173.10 174.26 2g54 s TRP 776 N -1.86 -0.13 0.12 1.90 -0.00 -1.25 -1.97 118.94 115.75 2g54 s TRP 776 Ca 0.50 0.52 0.10 0.00 -0.00 0.00 0.00 56.10 57.21 2g54 s TRP 776 Cb -0.11 -0.32 -0.04 0.00 -0.00 0.00 0.00 33.47 33.00 2g54 s TRP 776 CO 0.19 -0.27 -0.21 -0.06 -0.00 0.00 0.00 176.95 176.60 2g54 s PHE 777 N 2.27 2.47 -0.05 5.86 0.40 -0.52 -1.59 117.98 126.82 2g54 s PHE 777 Ca 0.04 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2g54 s PHE 777 Cb -0.12 -1.32 0.02 0.00 0.51 0.00 0.00 43.02 42.11 2g54 s PHE 777 CO -0.05 0.37 -0.05 0.08 0.70 0.00 0.00 175.22 176.26 2g54 s VAL 778 N -1.11 0.59 -0.16 -0.44 1.01 -0.81 -0.46 120.40 119.01 2g54 s VAL 778 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2g54 s VAL 778 Cb -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2g54 s VAL 778 CO 0.09 0.24 -0.16 -0.47 0.00 0.00 0.00 175.10 174.80 2g54 s TYR 779 N 0.89 2.79 -0.03 5.22 5.04 0.44 -1.08 117.35 130.61 2g54 s TYR 779 Ca -0.11 -1.17 0.05 0.00 -2.44 0.00 0.00 57.07 53.40 2g54 s TYR 779 Cb -0.14 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.23 2g54 s TYR 779 CO 0.00 -0.56 -0.18 -1.14 -1.34 0.00 0.00 175.55 172.34 2g54 s GLN 780 N 0.96 2.33 0.23 4.97 0.74 -1.26 -0.28 119.66 127.34 2g54 s GLN 780 Ca -0.03 -0.80 -0.10 0.00 0.05 0.00 0.00 55.36 54.48 2g54 s GLN 780 Cb -0.15 -2.25 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 2g54 s GLN 780 CO -0.03 0.59 0.39 -0.65 -0.55 0.00 0.00 175.29 175.04 2g54 s GLN 781 N -0.78 1.42 0.04 1.67 -1.52 0.10 -4.97 119.66 115.63 2g54 s GLN 781 Ca 0.11 -1.30 0.08 0.00 -1.95 0.00 0.00 55.36 52.30 2g54 s GLN 781 Cb -0.10 0.42 -0.03 0.00 -0.22 0.00 0.00 33.01 33.08 2g54 s GLN 781 CO 0.01 -0.56 -0.22 0.50 -0.25 0.00 0.00 175.29 174.76 2g54 s ARG 782 N -4.03 1.52 -0.27 2.91 3.52 -1.26 -0.68 118.95 120.65 2g54 s ARG 782 Ca 0.25 -0.97 -0.14 0.00 -0.13 0.00 0.00 55.73 54.74 2g54 s ARG 782 Cb 0.01 -1.64 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 2g54 s ARG 782 CO 0.08 0.42 0.31 1.21 -0.81 0.00 0.00 175.30 176.51 2g54 s ASN 783 N -1.14 6.17 0.00 -2.12 3.04 0.07 -4.88 114.94 116.08 2g54 s ASN 783 Ca 0.09 0.19 0.28 0.00 0.04 0.00 0.00 52.86 53.45 2g54 s ASN 783 Cb -0.09 -2.18 1.34 0.00 -1.54 0.00 0.00 41.25 38.78 2g54 s ASN 783 CO 0.02 -0.13 1.90 -0.62 -3.04 0.00 0.00 177.10 175.22 2g54 n GLU 784 N 5.22 1.35 -0.04 0.43 1.02 -1.26 -2.05 120.64 125.29 2g54 n GLU 784 Ca -0.10 -0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 56.43 2g54 n GLU 784 Cb 0.51 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2g54 n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2g54 n VAL 785 N -0.36 0.70 -3.18 2.62 0.31 -1.26 -4.88 118.33 112.27 2g54 n VAL 785 Ca 0.20 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 64.07 2g54 n VAL 785 Cb 0.23 -1.68 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 2g54 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2g54 s HIS 786 N -2.22 3.62 -0.38 3.52 3.76 -1.26 -4.87 115.29 117.46 2g54 s HIS 786 Ca -0.14 1.15 -0.03 0.00 -0.15 0.00 0.00 55.06 55.89 2g54 s HIS 786 Cb 0.05 -2.65 0.12 0.00 1.11 0.00 0.00 32.58 31.21 2g54 s HIS 786 CO 0.18 0.24 2.48 -1.71 -0.85 0.00 0.00 174.74 175.08 2g54 n ASN 787 N 3.22 6.43 -4.14 1.40 5.15 -1.26 -1.45 115.26 124.62 2g54 n ASN 787 Ca -0.05 -3.12 -0.11 0.00 -0.60 0.00 0.00 54.58 50.70 2g54 n ASN 787 Cb 0.51 -1.16 -0.10 0.00 -0.53 0.00 0.00 39.78 38.50 2g54 n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2g54 s ASN 788 N 0.32 1.01 0.28 1.20 0.01 -1.26 -4.76 114.94 111.74 2g54 s ASN 788 Ca 0.47 -0.90 0.04 0.00 -0.71 0.00 0.00 52.86 51.76 2g54 s ASN 788 Cb 0.32 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 42.04 2g54 s ASN 788 CO -0.12 -0.42 0.43 0.00 -1.51 0.00 0.00 177.10 175.49 2g54 s GLY 790 N -4.01 0.20 -0.12 0.00 0.00 -0.04 -1.05 107.32 102.29 2g54 s GLY 790 Ca 0.37 -0.50 -0.26 0.00 0.00 0.00 0.00 44.72 44.32 2g54 s GLY 790 CO 0.31 -0.59 0.64 -1.50 0.00 0.00 0.00 173.10 171.96 2g54 s ILE 791 N -1.60 0.01 -0.04 0.90 2.07 -0.28 -0.65 121.20 121.60 2g54 s ILE 791 Ca -0.14 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2g54 s ILE 791 Cb -0.08 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.60 2g54 s ILE 791 CO -0.01 -0.03 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.26 2g54 s GLU 792 N -0.60 0.77 -0.14 3.50 2.12 -0.98 -1.20 118.70 122.17 2g54 s GLU 792 Ca -0.07 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 2g54 s GLU 792 Cb -0.02 -0.81 -0.02 0.00 0.26 0.00 0.00 34.13 33.54 2g54 s GLU 792 CO 0.06 -0.09 -0.07 0.42 -0.54 0.00 0.00 175.26 175.04 2g54 s ILE 793 N 0.95 3.59 -0.17 -3.70 -1.09 0.38 -1.56 121.20 119.61 2g54 s ILE 793 Ca -0.11 -0.47 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 2g54 s ILE 793 Cb -0.14 -2.55 0.03 0.00 -1.58 0.00 0.00 42.46 38.22 2g54 s ILE 793 CO -0.00 0.51 -0.12 -0.47 -1.23 0.00 0.00 174.94 173.64 2g54 s TYR 794 N 0.25 2.21 -0.86 3.97 5.04 -0.25 -0.76 117.35 126.96 2g54 s TYR 794 Ca -0.05 -1.35 -0.08 0.00 -2.44 0.00 0.00 57.07 53.15 2g54 s TYR 794 Cb -0.14 -1.58 0.22 0.00 0.35 0.00 0.00 41.96 40.81 2g54 s TYR 794 CO 0.04 -0.69 0.77 0.71 -1.34 0.00 0.00 175.55 175.04 2g54 s TYR 795 N 1.47 3.81 0.23 4.97 1.51 0.70 -1.42 117.35 128.63 2g54 s TYR 795 Ca 0.02 -2.50 -0.32 0.00 -1.01 0.00 0.00 57.07 53.26 2g54 s TYR 795 Cb -0.14 -3.58 -0.13 0.00 -0.11 0.00 0.00 41.96 38.00 2g54 s TYR 795 CO -0.09 -0.90 1.56 0.94 -1.11 0.00 0.00 175.55 175.95 2g54 n GLN 796 N 3.28 2.39 0.00 -0.62 7.27 0.11 -2.40 117.38 127.41 2g54 n GLN 796 Ca 0.16 0.86 0.00 0.00 0.07 0.00 0.00 57.00 58.09 2g54 n GLN 796 Cb 0.41 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.45 2g54 n GLN 796 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2g54 n THR 797 N 2.71 0.00 -3.41 1.69 -2.24 -0.32 -4.01 114.28 108.70 2g54 n THR 797 Ca 0.13 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 2g54 n THR 797 Cb 0.33 -0.76 0.01 0.00 -2.10 0.00 0.00 70.33 67.81 2g54 n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2g54 n ASP 798 N -1.03 -1.01 -4.75 3.42 -0.08 -1.21 -5.01 116.55 106.88 2g54 n ASP 798 Ca 0.00 -1.68 -0.37 0.00 -1.51 0.00 0.00 54.79 51.23 2g54 n ASP 798 Cb 0.00 1.68 0.03 0.00 2.34 0.00 0.00 41.12 45.17 2g54 n ASP 798 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2g54 s MET 799 N -2.04 3.12 0.37 -0.67 0.00 -1.26 -2.32 119.30 116.50 2g54 s MET 799 Ca 0.08 1.94 -0.28 0.00 0.00 0.00 0.00 55.69 57.44 2g54 s MET 799 Cb -0.02 -2.09 -0.10 0.00 0.00 0.00 0.00 34.83 32.62 2g54 s MET 799 CO 0.05 -1.12 1.38 -0.65 0.00 0.00 0.00 175.02 174.68 2g54 s GLN 800 N -3.11 4.12 -0.04 4.11 -0.21 0.10 -4.85 119.66 119.79 2g54 s GLN 800 Ca 0.74 2.35 -0.30 0.00 0.02 0.00 0.00 55.36 58.16 2g54 s GLN 800 Cb -0.33 -2.93 0.11 0.00 1.00 0.00 0.00 33.01 30.86 2g54 s GLN 800 CO 0.38 -0.44 1.01 -1.54 -2.12 0.00 0.00 175.29 172.58 2g54 s SER 801 N -0.42 -0.26 0.16 5.90 1.04 -1.26 -4.99 113.70 113.87 2g54 s SER 801 Ca 0.53 -0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.67 2g54 s SER 801 Cb -0.42 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2g54 s SER 801 CO 0.56 -0.52 1.61 0.74 0.98 0.00 0.00 173.24 176.60 2g54 h THR 802 N 2.00 0.27 -0.04 2.02 2.02 -1.99 0.25 112.91 117.44 2g54 h THR 802 Ca -0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2g54 h THR 802 Cb 1.22 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2g54 h THR 802 CO 0.28 0.00 0.00 0.77 0.37 0.00 0.00 175.52 176.94 2g54 h SER 803 N -0.26 0.07 -0.47 4.18 4.64 -1.98 -2.47 113.55 117.26 2g54 h SER 803 Ca 0.16 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2g54 h SER 803 Cb 0.52 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2g54 h SER 803 CO -0.49 0.33 0.17 -0.33 -0.87 0.00 0.00 176.83 175.65 2g54 h GLU 804 N -0.19 0.77 -0.26 4.77 4.39 -1.83 -1.05 114.58 121.17 2g54 h GLU 804 Ca 0.01 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 2g54 h GLU 804 Cb 0.29 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2g54 h GLU 804 CO 0.00 0.66 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.59 2g54 h ASN 805 N 0.76 0.46 0.97 1.42 -0.26 -0.48 -2.57 115.58 115.87 2g54 h ASN 805 Ca 0.18 -0.32 -0.10 0.00 -0.56 0.00 0.00 56.30 55.49 2g54 h ASN 805 Cb 0.21 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2g54 h ASN 805 CO -0.01 0.66 -0.49 0.24 -1.06 0.00 0.00 177.43 176.77 2g54 h MET 806 N 0.24 0.00 -0.19 0.81 2.86 -1.27 0.19 114.93 117.57 2g54 h MET 806 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2g54 h MET 806 Cb 0.44 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2g54 h MET 806 CO 0.02 0.49 0.05 0.74 1.06 0.00 0.00 176.91 179.27 2g54 h PHE 807 N 0.00 0.32 -0.16 -0.22 0.05 -1.14 -0.60 116.94 115.20 2g54 h PHE 807 Ca -0.00 -0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.69 2g54 h PHE 807 Cb 1.11 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 38.97 2g54 h PHE 807 CO 0.00 0.42 -0.13 1.25 -0.18 0.00 0.00 178.31 179.67 2g54 h LEU 808 N 0.13 0.39 -1.11 1.54 5.85 -1.36 -2.52 115.31 118.23 2g54 h LEU 808 Ca 0.06 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2g54 h LEU 808 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2g54 h LEU 808 CO 0.00 0.77 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.49 2g54 h GLU 809 N 0.02 0.57 -0.26 1.25 5.08 -0.94 -0.78 114.58 119.52 2g54 h GLU 809 Ca 0.03 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2g54 h GLU 809 Cb 0.65 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2g54 h GLU 809 CO 0.03 0.63 -0.49 1.25 -1.00 0.00 0.00 179.01 179.43 2g54 h LEU 810 N 0.54 0.88 -0.44 1.33 6.46 -1.13 -1.69 115.31 121.27 2g54 h LEU 810 Ca 0.11 -0.54 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2g54 h LEU 810 Cb 0.42 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2g54 h LEU 810 CO 0.02 1.25 0.18 0.15 -0.62 0.00 0.00 178.44 179.42 2g54 h PHE 811 N 0.54 0.66 -0.81 1.25 3.04 -1.19 -1.83 116.94 118.61 2g54 h PHE 811 Ca 0.01 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.89 2g54 h PHE 811 Cb 1.10 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 2g54 h PHE 811 CO 0.08 0.57 0.40 0.00 -2.02 0.00 0.00 178.31 177.34 2g54 h GLN 813 N 1.14 0.99 -0.40 0.00 5.75 -1.02 0.24 115.11 121.81 2g54 h GLN 813 Ca 0.28 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 2g54 h GLN 813 Cb 0.09 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 2g54 h GLN 813 CO -0.04 0.66 -0.24 0.82 -2.65 0.00 0.00 178.83 177.38 2g54 h ILE 814 N 1.02 1.28 0.00 2.39 2.04 -0.72 -3.24 117.51 120.28 2g54 h ILE 814 Ca 0.34 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2g54 h ILE 814 Cb 0.04 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2g54 h ILE 814 CO -0.13 0.46 -0.56 2.30 0.00 0.00 0.00 178.15 180.22 2g54 n ILE 815 N -4.20 0.09 0.02 -0.67 -5.35 -0.65 -4.47 119.36 104.13 2g54 n ILE 815 Ca -0.02 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 2g54 n ILE 815 Cb 0.45 0.17 -0.09 0.00 -1.74 0.00 0.00 39.64 38.43 2g54 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2g54 h SER 816 N 0.00 -1.48 0.53 7.28 0.87 -0.55 0.19 113.55 120.39 2g54 h SER 816 Ca 0.00 0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2g54 h SER 816 Cb 0.57 0.57 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2g54 h SER 816 CO 0.00 -0.44 -0.25 -0.08 -0.53 0.00 0.00 176.83 175.53 2g54 h GLU 817 N -0.55 -0.69 -0.75 2.24 4.57 -1.78 -2.93 114.58 114.69 2g54 h GLU 817 Ca 0.02 0.05 0.14 0.00 -1.18 0.00 0.00 59.36 58.39 2g54 h GLU 817 Cb 0.61 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.31 2g54 h GLU 817 CO -0.35 -0.44 0.50 -1.35 -1.18 0.00 0.00 179.01 176.19 2g54 h PRO 818 N -0.75 0.43 -0.20 0.92 0.11 -1.76 -1.88 132.00 128.87 2g54 h PRO 818 Ca -0.07 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2g54 h PRO 818 Cb 0.56 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 2g54 h PRO 818 CO 0.12 0.29 0.07 0.00 -0.21 0.00 0.00 178.00 178.27 2g54 h PHE 820 N 0.16 0.75 -0.51 0.00 3.57 -1.28 -1.72 116.94 117.92 2g54 h PHE 820 Ca 0.07 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 2g54 h PHE 820 Cb 0.19 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2g54 h PHE 820 CO -0.01 0.77 0.04 -0.97 -2.23 0.00 0.00 178.31 175.91 2g54 h ASN 821 N 0.51 0.79 0.05 0.41 -0.73 -1.28 -2.10 115.58 113.23 2g54 h ASN 821 Ca 0.11 -0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 2g54 h ASN 821 Cb 0.47 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.85 2g54 h ASN 821 CO 0.02 0.83 -0.02 0.74 -0.37 0.00 0.00 177.43 178.63 2g54 h THR 822 N 0.78 0.00 -0.14 -3.57 2.02 -0.96 0.27 112.91 111.31 2g54 h THR 822 Ca 0.16 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2g54 h THR 822 Cb 0.42 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2g54 h THR 822 CO 0.01 0.00 0.01 -0.07 0.37 0.00 0.00 175.52 175.85 2g54 h LEU 823 N -0.57 0.17 0.00 2.58 4.07 -1.44 0.28 115.31 120.39 2g54 h LEU 823 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2g54 h LEU 823 Cb 0.05 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.75 2g54 h LEU 823 CO 0.01 0.20 -0.55 -1.14 -1.08 0.00 0.00 178.44 175.88 2g54 n ARG 824 N -4.43 0.29 0.08 1.13 0.63 -0.84 -1.71 116.66 111.81 2g54 n ARG 824 Ca -0.01 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.92 2g54 n ARG 824 Cb 0.14 -0.99 -0.06 0.00 0.45 0.00 0.00 32.46 32.01 2g54 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2g54 h THR 825 N -0.55 0.68 0.09 5.15 2.02 -1.22 0.34 112.91 119.42 2g54 h THR 825 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2g54 h THR 825 Cb 0.55 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2g54 h THR 825 CO 0.00 0.00 -0.04 0.11 0.37 0.00 0.00 175.52 175.96 2g54 h LYS 826 N -0.27 -0.12 0.00 6.66 1.57 -0.40 -3.39 116.57 120.63 2g54 h LYS 826 Ca 0.03 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2g54 h LYS 826 Cb 0.29 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2g54 h LYS 826 CO -0.09 -0.05 -0.05 0.93 -0.57 0.00 0.00 179.45 179.62 2g54 h GLU 827 N -1.03 0.00 -6.39 3.15 5.08 -1.06 -3.48 114.58 110.85 2g54 h GLU 827 Ca -0.01 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.87 2g54 h GLU 827 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2g54 h GLU 827 CO 0.02 0.00 -0.86 1.04 -1.00 0.00 0.00 179.01 178.21 2g54 n GLN 828 N -2.88 -3.86 -0.07 2.33 1.13 0.12 -4.87 117.38 109.28 2g54 n GLN 828 Ca 0.04 0.47 -0.07 0.00 -1.94 0.00 0.00 57.00 55.50 2g54 n GLN 828 Cb 0.51 -4.80 0.11 0.00 0.11 0.00 0.00 30.24 26.16 2g54 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2g54 h LEU 829 N -1.84 0.74 -7.11 1.08 3.38 -1.52 -3.48 115.31 106.57 2g54 h LEU 829 Ca -0.62 -0.26 0.36 0.00 0.09 0.00 0.00 57.88 57.45 2g54 h LEU 829 Cb 1.37 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2g54 h LEU 829 CO 0.62 0.95 0.92 -0.83 0.09 0.00 0.00 178.44 180.19 2g54 s GLY 830 N -3.86 -0.46 0.24 0.83 0.00 -1.26 -4.11 107.32 98.70 2g54 s GLY 830 Ca -0.09 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.50 2g54 s GLY 830 CO 0.83 0.16 1.61 -1.82 0.00 0.00 0.00 173.10 173.87 2g54 h TYR 831 N 2.00 0.50 -3.38 1.90 3.20 -1.82 -3.40 116.97 115.95 2g54 h TYR 831 Ca -0.32 -0.15 -0.72 0.00 3.14 0.00 0.00 58.73 60.67 2g54 h TYR 831 Cb 1.20 -0.10 -0.21 0.00 1.54 0.00 0.00 36.73 39.15 2g54 h TYR 831 CO 0.30 0.80 -0.30 0.42 -1.64 0.00 0.00 178.16 177.74 2g54 s ILE 832 N -4.11 5.19 -0.14 1.81 1.01 -1.26 -5.01 121.20 118.69 2g54 s ILE 832 Ca -0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2g54 s ILE 832 Cb 0.12 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.56 2g54 s ILE 832 CO 0.81 -0.50 0.02 -0.69 0.00 0.00 0.00 174.94 174.57 2g54 s VAL 833 N 1.82 0.44 0.02 2.92 1.01 -1.26 -2.20 120.40 123.15 2g54 s VAL 833 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.84 2g54 s VAL 833 Cb -0.21 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2g54 s VAL 833 CO 0.09 0.01 -0.08 0.12 0.00 0.00 0.00 175.10 175.25 2g54 s PHE 834 N 1.92 0.67 0.04 5.22 5.36 -0.11 -4.87 117.98 126.21 2g54 s PHE 834 Ca 0.02 -0.30 -0.03 0.00 -0.96 0.00 0.00 56.93 55.66 2g54 s PHE 834 Cb -0.15 -0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 2g54 s PHE 834 CO -0.07 -0.03 0.03 -1.54 -1.46 0.00 0.00 175.22 172.15 2g54 s SER 835 N -0.88 0.30 0.00 6.13 1.04 -1.26 -1.04 113.70 117.99 2g54 s SER 835 Ca -0.03 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2g54 s SER 835 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2g54 s SER 835 CO 0.00 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2g54 n GLY 836 N 0.64 0.73 3.80 7.32 0.00 -0.97 -5.00 105.19 111.71 2g54 n GLY 836 Ca -0.18 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 2g54 n GLY 836 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2g54 s PRO 837 N -1.90 3.92 -0.16 1.61 0.04 -1.26 -1.56 135.00 135.70 2g54 s PRO 837 Ca 0.00 1.37 0.01 0.00 0.04 0.00 0.00 61.00 62.41 2g54 s PRO 837 Cb 0.00 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2g54 s PRO 837 CO 0.00 -0.33 -0.17 0.50 0.04 0.00 0.00 177.00 177.04 2g54 s ARG 838 N -3.07 2.61 -0.06 4.56 3.52 0.12 -4.86 118.95 121.77 2g54 s ARG 838 Ca 0.65 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 55.60 2g54 s ARG 838 Cb -0.17 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 2g54 s ARG 838 CO 0.21 -0.19 -0.17 1.03 -0.81 0.00 0.00 175.30 175.37 2g54 s ARG 839 N 1.30 2.64 -0.29 5.12 3.00 -1.26 -1.67 118.95 127.80 2g54 s ARG 839 Ca 0.03 -0.75 -0.16 0.00 0.00 0.00 0.00 55.73 54.85 2g54 s ARG 839 Cb -0.13 -2.36 0.13 0.00 0.00 0.00 0.00 34.95 32.59 2g54 s ARG 839 CO -0.10 0.50 0.92 0.00 0.00 0.00 0.00 175.30 176.63 2g54 s ALA 840 N -0.43 -2.23 -1.45 2.13 0.00 -0.47 -4.98 121.76 114.34 2g54 s ALA 840 Ca 0.05 2.24 -0.12 0.00 0.00 0.00 0.00 51.96 54.13 2g54 s ALA 840 Cb -0.12 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.40 2g54 s ALA 840 CO 0.02 -0.40 0.70 0.09 0.00 0.00 0.00 175.76 176.17 2g54 n ASN 841 N 3.93 -4.23 0.00 0.00 3.02 -1.26 -0.52 115.26 116.19 2g54 n ASN 841 Ca -0.18 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2g54 n ASN 841 Cb 0.57 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2g54 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g54 n GLY 842 N -1.40 2.05 3.90 7.41 0.00 -1.26 -4.53 105.19 111.36 2g54 n GLY 842 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2g54 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g54 s ILE 843 N -3.00 2.83 0.25 -0.61 -1.09 0.32 0.03 121.20 119.92 2g54 s ILE 843 Ca 0.00 -1.27 -0.22 0.00 -2.23 0.00 0.00 60.65 56.93 2g54 s ILE 843 Cb 0.00 -3.02 0.04 0.00 -1.58 0.00 0.00 42.46 37.89 2g54 s ILE 843 CO 0.00 -0.02 0.80 0.00 -1.23 0.00 0.00 174.94 174.50 2g54 s GLN 844 N -4.16 1.62 0.00 2.79 -2.07 -0.98 -1.37 119.66 115.49 2g54 s GLN 844 Ca 0.49 -0.91 0.00 0.00 -1.82 0.00 0.00 55.36 53.12 2g54 s GLN 844 Cb -0.05 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 2g54 s GLN 844 CO 0.29 -0.75 0.00 0.41 -1.32 0.00 0.00 175.29 173.92 2g54 n GLY 845 N -0.47 -1.23 3.86 2.60 0.00 -0.67 -1.18 105.19 108.10 2g54 n GLY 845 Ca -0.05 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2g54 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2g54 s LEU 846 N 0.00 4.36 0.02 0.99 0.20 -1.01 0.14 118.68 123.38 2g54 s LEU 846 Ca 0.00 0.86 -0.01 0.00 0.69 0.00 0.00 54.13 55.67 2g54 s LEU 846 Cb 0.00 -3.00 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 2g54 s LEU 846 CO 0.00 0.17 -0.01 0.00 -0.29 0.00 0.00 176.35 176.22 2g54 s ARG 847 N -1.85 0.38 -0.01 1.98 1.70 -0.60 -0.22 118.95 120.33 2g54 s ARG 847 Ca 0.33 -0.70 0.04 0.00 -0.47 0.00 0.00 55.73 54.93 2g54 s ARG 847 Cb -0.14 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.37 2g54 s ARG 847 CO 0.18 -0.07 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.14 2g54 s PHE 848 N -1.90 1.15 -0.05 5.89 0.40 0.06 -2.28 117.98 121.25 2g54 s PHE 848 Ca -0.12 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2g54 s PHE 848 Cb -0.07 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.74 2g54 s PHE 848 CO -0.02 -0.03 -0.06 0.42 0.70 0.00 0.00 175.22 176.23 2g54 s ILE 849 N -0.24 0.63 -0.05 0.64 1.01 -0.20 -0.47 121.20 122.52 2g54 s ILE 849 Ca 0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 2g54 s ILE 849 Cb -0.05 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.78 2g54 s ILE 849 CO -0.00 0.25 0.13 -0.63 0.00 0.00 0.00 174.94 174.69 2g54 s ILE 850 N 0.95 0.01 -0.13 2.92 1.01 -0.34 -0.94 121.20 124.68 2g54 s ILE 850 Ca -0.10 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2g54 s ILE 850 Cb -0.14 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2g54 s ILE 850 CO 0.00 -0.03 -0.20 -1.58 0.00 0.00 0.00 174.94 173.14 2g54 s GLN 851 N -0.04 2.74 0.24 2.79 0.74 -0.94 -1.12 119.66 124.07 2g54 s GLN 851 Ca -0.01 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.52 2g54 s GLN 851 Cb -0.01 -2.25 -0.00 0.00 1.10 0.00 0.00 33.01 31.84 2g54 s GLN 851 CO 0.00 -0.04 0.48 0.45 -0.55 0.00 0.00 175.29 175.63 2g54 s SER 852 N 0.90 -0.10 0.35 6.67 0.15 -0.22 -4.16 113.70 117.30 2g54 s SER 852 Ca -0.06 -0.88 0.22 0.00 0.70 0.00 0.00 55.95 55.92 2g54 s SER 852 Cb -0.15 0.58 0.21 0.00 -1.71 0.00 0.00 66.02 64.94 2g54 s SER 852 CO -0.02 -1.12 1.43 -0.08 1.20 0.00 0.00 173.24 174.64 2g54 h GLU 853 N 2.26 0.00 -7.02 5.44 4.81 -1.86 0.75 114.58 118.97 2g54 h GLU 853 Ca -0.26 0.00 -0.48 0.00 -0.13 0.00 0.00 59.36 58.48 2g54 h GLU 853 Cb 1.25 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.66 2g54 h GLU 853 CO 0.36 0.08 0.42 0.15 -0.73 0.00 0.00 179.01 179.28 2g54 s LYS 854 N -3.20 3.90 0.48 1.92 -0.14 -1.26 -4.71 119.74 116.73 2g54 s LYS 854 Ca 0.04 1.52 -0.22 0.00 -1.36 0.00 0.00 55.97 55.95 2g54 s LYS 854 Cb 0.07 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.82 2g54 s LYS 854 CO 0.71 -0.37 1.15 -1.25 -0.76 0.00 0.00 175.35 174.83 2g54 s PRO 855 N -2.84 3.65 0.24 -1.68 0.04 -1.26 -4.62 135.00 128.52 2g54 s PRO 855 Ca 0.63 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 63.30 2g54 s PRO 855 Cb -0.21 -2.28 0.39 0.00 0.04 0.00 0.00 34.50 32.43 2g54 s PRO 855 CO 0.26 -0.63 1.63 -1.35 0.04 0.00 0.00 177.00 176.95 2g54 h PRO 856 N 1.79 0.07 -0.44 0.56 0.11 -1.91 -1.29 132.00 130.91 2g54 h PRO 856 Ca -0.50 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 2g54 h PRO 856 Cb 1.25 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2g54 h PRO 856 CO 0.59 0.05 0.29 1.12 -0.21 0.00 0.00 178.00 179.85 2g54 h HIS 857 N 0.08 0.32 -0.09 0.65 2.07 -1.82 0.58 115.15 116.94 2g54 h HIS 857 Ca 0.39 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.81 2g54 h HIS 857 Cb 0.67 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.54 2g54 h HIS 857 CO -0.45 0.17 -0.37 -0.92 -3.07 0.00 0.00 177.93 173.29 2g54 h TYR 858 N 0.32 0.54 -0.72 6.12 3.20 -1.63 -2.40 116.97 122.40 2g54 h TYR 858 Ca 0.19 -0.23 0.08 0.00 3.14 0.00 0.00 58.73 61.91 2g54 h TYR 858 Cb 0.35 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 2g54 h TYR 858 CO -0.00 0.98 0.38 -0.07 -1.64 0.00 0.00 178.16 177.81 2g54 h LEU 859 N -0.05 0.54 -0.93 2.82 4.07 -0.50 -0.52 115.31 120.74 2g54 h LEU 859 Ca -0.02 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2g54 h LEU 859 Cb 1.01 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.65 2g54 h LEU 859 CO 0.08 0.32 0.59 -0.08 -1.08 0.00 0.00 178.44 178.27 2g54 h GLU 860 N 0.67 1.25 -0.18 1.13 4.57 0.13 -2.10 114.58 120.05 2g54 h GLU 860 Ca 0.34 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2g54 h GLU 860 Cb 0.30 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2g54 h GLU 860 CO -0.23 0.85 0.11 1.03 -1.18 0.00 0.00 179.01 179.59 2g54 h SER 861 N 1.28 0.19 -0.67 1.04 0.87 -0.61 -1.92 113.55 113.73 2g54 h SER 861 Ca 0.34 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.88 2g54 h SER 861 Cb -0.10 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2g54 h SER 861 CO -0.07 0.14 0.35 0.03 -0.53 0.00 0.00 176.83 176.75 2g54 h ARG 862 N 0.24 0.95 -0.72 2.24 2.47 -0.92 0.05 114.38 118.69 2g54 h ARG 862 Ca 0.07 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 2g54 h ARG 862 Cb -0.02 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 2g54 h ARG 862 CO -0.02 0.74 0.36 0.28 0.56 0.00 0.00 179.97 181.88 2g54 h VAL 863 N 0.93 1.23 -0.29 2.04 2.07 -1.25 0.10 116.25 121.08 2g54 h VAL 863 Ca 0.23 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 2g54 h VAL 863 Cb 0.08 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2g54 h VAL 863 CO -0.03 0.26 -0.33 -0.08 0.02 0.00 0.00 177.57 177.41 2g54 h GLU 864 N 1.01 0.63 -0.30 1.57 4.57 -0.75 -1.80 114.58 119.52 2g54 h GLU 864 Ca 0.25 -0.29 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2g54 h GLU 864 Cb 0.08 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 2g54 h GLU 864 CO -0.03 0.88 -0.05 0.00 -1.18 0.00 0.00 179.01 178.62 2g54 h ALA 865 N 1.10 0.41 -0.92 2.92 0.00 -0.23 -2.96 119.26 119.57 2g54 h ALA 865 Ca 0.06 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.79 2g54 h ALA 865 Cb 0.83 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2g54 h ALA 865 CO 0.07 0.21 0.57 0.35 0.00 0.00 0.00 179.25 180.45 2g54 h PHE 866 N 0.33 1.04 -0.73 0.00 3.57 -0.60 -1.29 116.94 119.27 2g54 h PHE 866 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2g54 h PHE 866 Cb 0.52 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2g54 h PHE 866 CO 0.05 0.46 0.41 -0.07 -2.23 0.00 0.00 178.31 176.93 2g54 h LEU 867 N 0.97 0.90 0.09 0.59 3.38 -1.18 0.23 115.31 120.28 2g54 h LEU 867 Ca 0.43 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 2g54 h LEU 867 Cb 0.33 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2g54 h LEU 867 CO -0.23 0.72 -0.04 0.40 0.09 0.00 0.00 178.44 179.38 2g54 h ILE 868 N 1.02 1.06 -0.49 1.22 1.08 -1.14 -1.11 117.51 119.15 2g54 h ILE 868 Ca 0.26 -0.52 0.10 0.00 -0.39 0.00 0.00 64.86 64.31 2g54 h ILE 868 Cb 0.01 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 2g54 h ILE 868 CO -0.04 0.13 0.34 0.74 -0.69 0.00 0.00 178.15 178.62 2g54 h THR 869 N -0.35 0.87 -0.01 -0.27 2.02 -0.94 -0.58 112.91 113.65 2g54 h THR 869 Ca -0.01 -0.08 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 2g54 h THR 869 Cb 0.30 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2g54 h THR 869 CO 0.02 0.04 -0.83 0.24 0.37 0.00 0.00 175.52 175.36 2g54 h MET 870 N 0.24 0.20 0.04 6.66 2.86 -0.56 -1.68 114.93 122.69 2g54 h MET 870 Ca 0.23 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2g54 h MET 870 Cb 0.59 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2g54 h MET 870 CO -0.04 0.92 -0.02 1.49 1.06 0.00 0.00 176.91 180.32 2g54 h GLU 871 N 0.12 -0.05 -0.48 1.72 4.81 0.17 -1.40 114.58 119.47 2g54 h GLU 871 Ca -0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2g54 h GLU 871 Cb 1.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 2g54 h GLU 871 CO 0.13 0.07 0.31 -0.22 -0.73 0.00 0.00 179.01 178.57 2g54 h LYS 872 N -0.16 0.62 -0.63 1.92 3.64 -1.44 -1.69 116.57 118.84 2g54 h LYS 872 Ca -0.01 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2g54 h LYS 872 Cb 0.14 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 2g54 h LYS 872 CO 0.01 0.41 0.42 1.03 -2.27 0.00 0.00 179.45 179.05 2g54 h SER 873 N 0.64 0.43 0.87 4.20 0.87 -1.04 -0.88 113.55 118.65 2g54 h SER 873 Ca 0.18 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.53 2g54 h SER 873 Cb -0.07 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 2g54 h SER 873 CO -0.04 0.26 -0.99 0.40 -0.53 0.00 0.00 176.83 175.93 2g54 h ILE 874 N 0.48 1.64 -0.30 2.23 2.04 -0.69 -2.20 117.51 120.71 2g54 h ILE 874 Ca 0.29 -3.19 -0.06 0.00 1.00 0.00 0.00 64.86 62.90 2g54 h ILE 874 Cb 0.49 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 2g54 h ILE 874 CO -0.09 0.91 -0.06 -0.33 0.00 0.00 0.00 178.15 178.59 2g54 h GLU 875 N 0.02 0.58 -0.00 2.37 4.39 -0.31 -2.98 114.58 118.64 2g54 h GLU 875 Ca -0.03 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2g54 h GLU 875 Cb 1.72 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.33 2g54 h GLU 875 CO 0.14 0.76 -0.12 -0.25 -1.16 0.00 0.00 179.01 178.38 2g54 n ASP 876 N -4.49 0.60 -4.75 1.42 10.43 -0.52 -4.90 116.55 114.34 2g54 n ASP 876 Ca -0.03 -0.70 -0.41 0.00 2.57 0.00 0.00 54.79 56.22 2g54 n ASP 876 Cb 0.31 -0.03 -0.02 0.00 1.84 0.00 0.00 41.12 43.22 2g54 n ASP 876 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 2g54 s MET 877 N -2.42 4.27 0.46 -1.24 1.75 -0.83 -5.00 119.30 116.29 2g54 s MET 877 Ca 0.30 2.32 -0.16 0.00 -1.25 0.00 0.00 55.69 56.89 2g54 s MET 877 Cb 0.20 -3.08 -0.08 0.00 2.84 0.00 0.00 34.83 34.70 2g54 s MET 877 CO 0.47 -0.39 0.92 0.95 -0.65 0.00 0.00 175.02 176.32 2g54 s THR 878 N -0.36 4.56 0.24 10.11 -4.23 -1.26 -4.89 115.64 119.81 2g54 s THR 878 Ca 0.57 1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 2g54 s THR 878 Cb -0.42 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 69.95 2g54 s THR 878 CO 0.47 -0.55 1.82 -0.08 -0.54 0.00 0.00 174.62 175.75 2g54 h GLU 879 N 1.28 0.82 -0.60 3.99 4.57 -1.98 0.12 114.58 122.78 2g54 h GLU 879 Ca -0.47 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 2g54 h GLU 879 Cb 1.18 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 2g54 h GLU 879 CO 0.62 0.55 0.39 1.49 -1.18 0.00 0.00 179.01 180.88 2g54 h GLU 880 N 0.85 0.77 -0.47 1.92 4.81 -1.98 0.24 114.58 120.72 2g54 h GLU 880 Ca 0.39 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2g54 h GLU 880 Cb 0.31 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2g54 h GLU 880 CO -0.23 0.51 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 2g54 h ALA 881 N 1.23 0.63 -0.16 2.92 0.00 -1.70 -1.95 119.26 120.25 2g54 h ALA 881 Ca 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2g54 h ALA 881 Cb -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2g54 h ALA 881 CO -0.06 0.43 0.09 0.35 0.00 0.00 0.00 179.25 180.06 2g54 h PHE 882 N 0.68 0.21 0.00 0.00 3.57 -0.27 -2.20 116.94 118.94 2g54 h PHE 882 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2g54 h PHE 882 Cb 0.50 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2g54 h PHE 882 CO 0.04 0.20 -0.10 0.37 -2.23 0.00 0.00 178.31 176.59 2g54 h GLN 883 N 0.16 0.00 -0.42 1.11 5.75 -0.47 -1.98 115.11 119.27 2g54 h GLN 883 Ca 0.06 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 2g54 h GLN 883 Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2g54 h GLN 883 CO -0.01 0.10 0.06 0.87 -2.65 0.00 0.00 178.83 177.19 2g54 h LYS 884 N 0.00 0.71 -0.44 1.69 1.57 -0.71 -1.23 116.57 118.15 2g54 h LYS 884 Ca -0.00 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 2g54 h LYS 884 Cb 0.28 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2g54 h LYS 884 CO 0.01 0.75 0.07 0.45 -0.57 0.00 0.00 179.45 180.17 2g54 h HIS 885 N 0.56 0.78 -0.34 -1.35 3.86 -1.16 0.24 115.15 117.73 2g54 h HIS 885 Ca 0.13 -0.11 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2g54 h HIS 885 Cb 0.39 -0.21 -0.07 0.00 1.06 0.00 0.00 27.41 28.58 2g54 h HIS 885 CO 0.03 0.74 -0.13 0.82 0.86 0.00 0.00 177.93 180.25 2g54 h ILE 886 N 0.59 0.57 -0.66 2.45 1.08 -1.28 0.30 117.51 120.56 2g54 h ILE 886 Ca 0.13 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.54 2g54 h ILE 886 Cb 0.38 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 2g54 h ILE 886 CO 0.01 0.00 0.17 -0.61 -0.69 0.00 0.00 178.15 177.02 2g54 h GLN 887 N -0.06 1.04 -0.28 2.37 5.75 -0.92 -0.38 115.11 122.64 2g54 h GLN 887 Ca 0.17 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2g54 h GLN 887 Cb 0.32 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 2g54 h GLN 887 CO -0.38 0.92 0.13 0.00 -2.65 0.00 0.00 178.83 176.85 2g54 h ALA 888 N 1.18 0.36 -0.26 3.38 0.00 0.70 -1.32 119.26 123.30 2g54 h ALA 888 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2g54 h ALA 888 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2g54 h ALA 888 CO -0.00 -0.07 0.13 1.25 0.00 0.00 0.00 179.25 180.55 2g54 h LEU 889 N 0.31 0.34 -0.16 0.00 6.46 -0.18 -1.63 115.31 120.46 2g54 h LEU 889 Ca 0.09 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 2g54 h LEU 889 Cb 0.13 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.91 2g54 h LEU 889 CO -0.01 0.36 -0.32 0.00 -0.62 0.00 0.00 178.44 177.85 2g54 h ALA 890 N 0.99 -0.36 -0.79 1.25 0.00 -0.82 0.15 119.26 119.68 2g54 h ALA 890 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2g54 h ALA 890 Cb 0.11 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2g54 h ALA 890 CO -0.01 -0.79 0.50 0.82 0.00 0.00 0.00 179.25 179.76 2g54 h ILE 891 N -0.38 1.10 -0.26 0.00 2.04 -1.17 0.94 117.51 119.78 2g54 h ILE 891 Ca 0.10 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2g54 h ILE 891 Cb 0.55 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2g54 h ILE 891 CO -0.37 0.17 0.16 -0.09 0.00 0.00 0.00 178.15 178.02 2g54 h ARG 892 N 0.96 0.32 -0.02 2.37 9.65 -0.26 -0.28 114.38 127.11 2g54 h ARG 892 Ca 0.32 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 59.04 2g54 h ARG 892 Cb 0.04 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2g54 h ARG 892 CO -0.12 0.21 -0.63 0.00 2.80 0.00 0.00 179.97 182.22 2g54 h ARG 893 N 0.33 0.07 -0.01 0.20 2.47 -0.33 -3.20 114.38 113.91 2g54 h ARG 893 Ca 0.10 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2g54 h ARG 893 Cb -0.01 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2g54 h ARG 893 CO -0.04 0.68 -0.31 1.28 0.56 0.00 0.00 179.97 182.14 2g54 n LEU 894 N -3.80 0.85 -4.50 3.04 4.77 0.29 -4.88 117.00 112.77 2g54 n LEU 894 Ca -0.02 -0.17 -0.48 0.00 -0.03 0.00 0.00 56.01 55.31 2g54 n LEU 894 Cb 0.63 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 2g54 n LEU 894 CO 0.43 0.17 1.82 -0.67 -1.33 0.00 0.00 177.39 177.81 2g54 n ASP 895 N -0.89 2.51 -4.78 -1.43 2.03 -0.14 -4.90 116.55 108.96 2g54 n ASP 895 Ca 0.11 0.34 -0.36 0.00 0.52 0.00 0.00 54.79 55.40 2g54 n ASP 895 Cb 0.34 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 2g54 n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2g54 s LYS 896 N 6.25 3.77 0.33 -0.67 1.02 -1.26 -5.00 119.74 124.18 2g54 s LYS 896 Ca 1.07 1.65 -0.29 0.00 0.02 0.00 0.00 55.97 58.42 2g54 s LYS 896 Cb -0.68 -2.33 -0.10 0.00 -0.52 0.00 0.00 37.83 34.20 2g54 s LYS 896 CO 0.44 -0.52 1.29 -1.25 -0.92 0.00 0.00 175.35 174.39 2g54 s PRO 897 N -2.82 4.35 0.16 -1.68 0.04 -1.26 -4.95 135.00 128.84 2g54 s PRO 897 Ca 0.65 2.17 0.23 0.00 0.04 0.00 0.00 61.00 64.09 2g54 s PRO 897 Cb -0.25 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.35 2g54 s PRO 897 CO 0.30 -0.17 1.13 0.87 0.04 0.00 0.00 177.00 179.17 2g54 h LYS 898 N 3.36 0.00 -4.51 4.56 1.79 -1.93 -3.48 116.57 116.36 2g54 h LYS 898 Ca -0.49 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.79 2g54 h LYS 898 Cb 1.23 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.73 2g54 h LYS 898 CO 0.65 0.00 -0.68 -1.59 -1.08 0.00 0.00 179.45 176.76 2g54 s LYS 899 N -3.28 0.83 0.15 3.15 -2.85 -1.26 -4.12 119.74 112.36 2g54 s LYS 899 Ca 0.02 -1.36 -0.19 0.00 -1.00 0.00 0.00 55.97 53.44 2g54 s LYS 899 Cb 0.11 -0.00 0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2g54 s LYS 899 CO 0.77 -0.11 1.67 1.25 0.10 0.00 0.00 175.35 179.02 2g54 h LEU 900 N 2.95 -0.40 -1.51 2.77 5.85 -1.96 -2.14 115.31 120.87 2g54 h LEU 900 Ca -0.35 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.59 2g54 h LEU 900 Cb 1.17 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 2g54 h LEU 900 CO 0.64 -0.15 0.48 0.77 -0.34 0.00 0.00 178.44 179.83 2g54 h SER 901 N -0.07 0.48 -0.30 1.25 4.64 -1.97 0.55 113.55 118.12 2g54 h SER 901 Ca 0.14 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.31 2g54 h SER 901 Cb 0.29 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2g54 h SER 901 CO -0.33 0.27 -0.47 0.00 -0.87 0.00 0.00 176.83 175.43 2g54 h ALA 902 N 1.65 0.46 -0.40 5.18 0.00 -1.82 -1.29 119.26 123.04 2g54 h ALA 902 Ca 0.34 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2g54 h ALA 902 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2g54 h ALA 902 CO -0.12 0.62 -0.36 1.49 0.00 0.00 0.00 179.25 180.89 2g54 h GLU 903 N 0.63 0.95 -0.58 0.00 4.81 -0.94 -2.89 114.58 116.57 2g54 h GLU 903 Ca 0.03 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2g54 h GLU 903 Cb 1.08 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2g54 h GLU 903 CO 0.11 1.14 0.31 0.00 -0.73 0.00 0.00 179.01 179.84 2g54 h ALA 905 N 1.14 1.63 -0.14 0.00 0.00 -1.13 0.24 119.26 121.00 2g54 h ALA 905 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2g54 h ALA 905 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2g54 h ALA 905 CO -0.03 0.28 -0.01 0.87 0.00 0.00 0.00 179.25 180.37 2g54 h LYS 906 N 0.81 0.26 -0.54 0.00 1.57 -1.25 -0.77 116.57 116.65 2g54 h LYS 906 Ca 0.29 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2g54 h LYS 906 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2g54 h LYS 906 CO -0.09 0.50 0.21 1.88 -0.57 0.00 0.00 179.45 181.39 2g54 h TYR 907 N -0.01 0.83 -0.72 -1.35 0.99 -1.09 -2.44 116.97 113.18 2g54 h TYR 907 Ca 0.04 -0.06 0.04 0.00 2.00 0.00 0.00 58.73 60.74 2g54 h TYR 907 Cb 0.39 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.83 2g54 h TYR 907 CO 0.04 0.68 0.47 2.35 -0.00 0.00 0.00 178.16 181.70 2g54 h TRP 908 N 0.74 0.83 -0.84 4.88 -0.00 -0.44 -1.12 115.95 120.00 2g54 h TRP 908 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 2g54 h TRP 908 Cb 0.20 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 29.05 2g54 h TRP 908 CO 0.01 0.48 0.45 0.78 -0.00 0.00 0.00 178.44 180.15 2g54 h GLY 909 N 0.85 1.26 1.91 2.65 0.00 -0.65 0.19 103.07 109.28 2g54 h GLY 909 Ca 0.29 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2g54 h GLY 909 CO -0.08 0.56 -0.56 0.83 0.00 0.00 0.00 176.54 177.28 2g54 h GLU 910 N 1.18 0.10 0.02 4.80 4.39 -1.02 -2.54 114.58 121.51 2g54 h GLU 910 Ca 0.30 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 2g54 h GLU 910 Cb 0.04 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2g54 h GLU 910 CO -0.05 0.63 -0.13 0.82 -1.16 0.00 0.00 179.01 179.12 2g54 h ILE 911 N 0.07 1.70 -0.81 3.13 2.04 -0.76 0.20 117.51 123.08 2g54 h ILE 911 Ca -0.00 -2.22 0.01 0.00 1.00 0.00 0.00 64.86 63.64 2g54 h ILE 911 Cb 1.01 3.19 -0.04 0.00 -0.74 0.00 0.00 36.82 40.24 2g54 h ILE 911 CO 0.08 0.59 0.53 0.40 0.00 0.00 0.00 178.15 179.74 2g54 h ILE 912 N -0.81 1.21 0.00 -0.67 1.08 -0.70 -0.78 117.51 116.83 2g54 h ILE 912 Ca -0.02 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2g54 h ILE 912 Cb 1.04 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 2g54 h ILE 912 CO 0.03 0.20 -0.14 0.77 -0.69 0.00 0.00 178.15 178.32 2g54 h SER 913 N 1.10 0.00 -1.40 1.72 4.64 -1.58 -3.47 113.55 114.55 2g54 h SER 913 Ca 0.29 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 61.37 2g54 h SER 913 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2g54 h SER 913 CO -0.06 0.02 -0.26 0.00 -0.87 0.00 0.00 176.83 175.66 2g54 n GLN 914 N -2.38 -0.82 -0.03 4.77 6.02 -0.30 -4.91 117.38 119.73 2g54 n GLN 914 Ca 0.05 0.53 0.05 0.00 -0.01 0.00 0.00 57.00 57.62 2g54 n GLN 914 Cb 0.45 -4.60 -0.16 0.00 1.02 0.00 0.00 30.24 26.96 2g54 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2g54 n GLN 915 N -2.05 0.66 -4.39 -1.09 6.02 -0.34 -4.14 117.38 112.06 2g54 n GLN 915 Ca -0.12 -0.12 -0.37 0.00 -0.01 0.00 0.00 57.00 56.38 2g54 n GLN 915 Cb 0.57 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 30.22 2g54 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2g54 n TYR 916 N -2.43 -1.32 -3.25 1.08 4.02 0.55 -1.24 117.16 114.56 2g54 n TYR 916 Ca -0.12 0.69 -0.43 0.00 -0.01 0.00 0.00 57.90 58.04 2g54 n TYR 916 Cb 0.74 -2.44 -0.01 0.00 -0.02 0.00 0.00 39.34 37.61 2g54 n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2g54 n ASN 917 N -2.65 5.66 0.27 7.72 2.85 -1.26 -4.26 115.26 123.60 2g54 n ASN 917 Ca -0.04 -3.20 0.14 0.00 -0.11 0.00 0.00 54.58 51.37 2g54 n ASN 917 Cb 0.54 -1.28 0.78 0.00 1.24 0.00 0.00 39.78 41.06 2g54 n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2g54 h PHE 918 N 6.04 0.00 -0.54 1.20 0.04 -1.94 -2.00 116.94 119.73 2g54 h PHE 918 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2g54 h PHE 918 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 2g54 h PHE 918 CO 0.84 0.09 0.00 -3.47 -0.60 0.00 0.00 178.31 175.17 2g54 n ASP 919 N -3.55 5.43 -0.08 2.17 4.64 -1.26 -4.71 116.55 119.19 2g54 n ASP 919 Ca -0.02 -2.90 -0.11 0.00 -1.38 0.00 0.00 54.79 50.38 2g54 n ASP 919 Cb 0.22 -0.66 -0.06 0.00 -1.04 0.00 0.00 41.12 39.58 2g54 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2g54 h ARG 920 N 3.74 -0.39 -0.73 -0.67 2.43 -1.77 -2.51 114.38 114.49 2g54 h ARG 920 Ca 0.00 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.36 2g54 h ARG 920 Cb 1.87 0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 31.38 2g54 h ARG 920 CO 0.43 -0.26 0.01 -0.44 -1.51 0.00 0.00 179.97 178.21 2g54 h ASP 921 N -0.40 -0.32 -0.28 -3.80 3.32 -1.85 0.32 116.42 113.41 2g54 h ASP 921 Ca 0.11 0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 2g54 h ASP 921 Cb 0.61 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 2g54 h ASP 921 CO -0.51 -0.16 0.01 0.78 -1.72 0.00 0.00 179.24 177.65 2g54 h ASN 922 N 0.11 0.47 0.53 6.45 -0.26 -1.89 -1.35 115.58 119.63 2g54 h ASN 922 Ca 0.39 -0.29 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 2g54 h ASN 922 Cb 0.68 -0.13 0.01 0.00 -1.06 0.00 0.00 38.32 37.82 2g54 h ASN 922 CO -0.63 0.65 -0.25 0.74 -1.06 0.00 0.00 177.43 176.87 2g54 h THR 923 N 0.28 0.47 -0.60 2.81 2.02 -0.79 -1.91 112.91 115.18 2g54 h THR 923 Ca 0.08 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2g54 h THR 923 Cb 0.40 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2g54 h THR 923 CO 0.01 0.02 0.11 -0.33 0.37 0.00 0.00 175.52 175.70 2g54 h GLU 924 N -0.77 0.97 -0.37 6.66 5.08 -0.48 -2.04 114.58 123.63 2g54 h GLU 924 Ca -0.07 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 2g54 h GLU 924 Cb 0.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2g54 h GLU 924 CO 0.12 0.89 -0.21 0.28 -1.00 0.00 0.00 179.01 179.09 2g54 h VAL 925 N 0.92 1.27 -0.66 3.13 2.07 -1.25 0.31 116.25 122.03 2g54 h VAL 925 Ca 0.19 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2g54 h VAL 925 Cb 0.38 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 2g54 h VAL 925 CO 0.01 0.43 0.30 0.00 0.02 0.00 0.00 177.57 178.33 2g54 h ALA 926 N 1.13 0.86 -0.40 1.67 0.00 -1.09 -2.04 119.26 119.39 2g54 h ALA 926 Ca 0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2g54 h ALA 926 Cb 0.70 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2g54 h ALA 926 CO 0.05 0.44 -0.25 -0.92 0.00 0.00 0.00 179.25 178.57 2g54 h TYR 927 N 0.92 1.01 -0.95 0.00 3.20 -0.99 -3.17 116.97 116.99 2g54 h TYR 927 Ca 0.23 -0.27 0.14 0.00 3.14 0.00 0.00 58.73 61.97 2g54 h TYR 927 Cb 0.15 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.10 2g54 h TYR 927 CO 0.01 1.05 0.57 1.25 -1.64 0.00 0.00 178.16 179.40 2g54 h LEU 928 N 0.68 0.79 0.00 2.82 7.12 0.06 0.12 115.31 126.90 2g54 h LEU 928 Ca 0.08 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2g54 h LEU 928 Cb 0.82 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 2g54 h LEU 928 CO 0.07 0.38 0.00 0.29 -0.13 0.00 0.00 178.44 179.05 2g54 n LYS 929 N -4.72 0.31 0.00 1.25 5.02 -0.81 -2.33 118.16 116.89 2g54 n LYS 929 Ca 0.19 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 2g54 n LYS 929 Cb 0.41 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.82 2g54 n LYS 929 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2g54 n THR 930 N -1.20 1.13 -1.91 -0.18 -1.04 0.43 -4.94 114.28 106.56 2g54 n THR 930 Ca 0.09 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.05 60.98 2g54 n THR 930 Cb 0.11 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 67.97 2g54 n THR 930 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2g54 s LEU 931 N -5.62 4.36 0.41 -4.42 1.02 -0.98 -5.03 118.68 108.42 2g54 s LEU 931 Ca -0.05 2.89 0.08 0.00 0.02 0.00 0.00 54.13 57.07 2g54 s LEU 931 Cb 0.09 -3.65 -0.01 0.00 0.02 0.00 0.00 46.19 42.63 2g54 s LEU 931 CO 0.83 -0.77 0.43 0.42 0.02 0.00 0.00 176.35 177.27 2g54 s THR 932 N -0.77 2.81 0.35 5.49 -4.23 -1.26 -5.00 115.64 113.03 2g54 s THR 932 Ca 0.55 -1.25 0.19 0.00 -1.18 0.00 0.00 61.69 60.00 2g54 s THR 932 Cb -0.44 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.56 2g54 s THR 932 CO 0.55 -0.01 1.90 0.50 -0.54 0.00 0.00 174.62 177.02 2g54 h LYS 933 N 0.93 0.00 -0.26 3.99 3.64 -1.99 -2.44 116.57 120.45 2g54 h LYS 933 Ca -0.41 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.86 2g54 h LYS 933 Cb 1.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2g54 h LYS 933 CO 0.54 0.27 -0.31 1.49 -2.27 0.00 0.00 179.45 179.17 2g54 h GLU 934 N 0.00 0.53 -0.25 1.90 4.81 -1.98 -2.47 114.58 117.12 2g54 h GLU 934 Ca -0.00 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2g54 h GLU 934 Cb 0.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2g54 h GLU 934 CO 0.03 0.77 0.08 -0.44 -0.73 0.00 0.00 179.01 178.73 2g54 h ASP 935 N 0.45 0.35 -0.52 1.04 3.32 -1.83 -1.55 116.42 117.68 2g54 h ASP 935 Ca 0.06 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2g54 h ASP 935 Cb 0.76 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2g54 h ASP 935 CO 0.06 0.45 0.34 0.40 -1.72 0.00 0.00 179.24 178.77 2g54 h ILE 936 N 0.24 1.14 0.12 0.35 1.08 -1.45 -0.02 117.51 118.96 2g54 h ILE 936 Ca 0.08 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2g54 h ILE 936 Cb 0.22 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 2g54 h ILE 936 CO -0.00 0.14 -0.15 0.40 -0.69 0.00 0.00 178.15 177.85 2g54 h ILE 937 N 0.71 0.67 -0.41 -0.67 1.08 -1.32 -0.49 117.51 117.08 2g54 h ILE 937 Ca 0.19 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 2g54 h ILE 937 Cb -0.07 0.67 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 2g54 h ILE 937 CO -0.04 0.00 -0.10 0.50 -0.69 0.00 0.00 178.15 177.82 2g54 h LYS 938 N -0.31 0.00 -0.58 2.37 1.63 -0.96 0.07 116.57 118.80 2g54 h LYS 938 Ca 0.01 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.90 2g54 h LYS 938 Cb 0.31 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.87 2g54 h LYS 938 CO -0.06 0.00 0.22 0.35 -3.45 0.00 0.00 179.45 176.51 2g54 h PHE 939 N 0.00 0.39 -0.28 1.91 3.57 -0.57 -0.91 116.94 121.04 2g54 h PHE 939 Ca 0.20 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2g54 h PHE 939 Cb 0.30 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 2g54 h PHE 939 CO -0.36 0.11 -0.16 -0.92 -2.23 0.00 0.00 178.31 174.75 2g54 h TYR 940 N 0.41 0.54 0.00 0.41 5.03 0.05 -1.49 116.97 121.91 2g54 h TYR 940 Ca 0.29 -0.09 -0.07 0.00 2.58 0.00 0.00 58.73 61.44 2g54 h TYR 940 Cb 0.33 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 2g54 h TYR 940 CO -0.16 0.64 -0.33 0.87 -1.32 0.00 0.00 178.16 177.85 2g54 h LYS 941 N 0.45 0.00 0.00 1.82 1.57 -0.11 1.02 116.57 121.32 2g54 h LYS 941 Ca 0.08 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 2g54 h LYS 941 Cb 0.55 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 2g54 h LYS 941 CO 0.04 0.33 -1.94 -1.91 -0.57 0.00 0.00 179.45 175.40 2g54 n GLU 942 N -3.28 0.66 -0.01 3.15 2.13 -0.43 -4.05 120.64 118.79 2g54 n GLU 942 Ca 0.01 0.02 -0.02 0.00 0.66 0.00 0.00 57.16 57.83 2g54 n GLU 942 Cb 0.59 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.66 2g54 n GLU 942 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2g54 n MET 943 N -2.66 0.46 -0.12 5.31 2.81 -0.58 -2.19 117.12 120.16 2g54 n MET 943 Ca -0.17 0.02 -0.16 0.00 -1.81 0.00 0.00 57.70 55.58 2g54 n MET 943 Cb 0.88 -1.06 -0.12 0.00 -0.71 0.00 0.00 33.22 32.21 2g54 n MET 943 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2g54 n LEU 944 N -2.53 2.47 -4.51 4.03 4.77 -0.79 -4.10 117.00 116.34 2g54 n LEU 944 Ca -0.05 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.42 2g54 n LEU 944 Cb 0.56 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2g54 n LEU 944 CO 0.03 0.85 0.22 0.00 -1.33 0.00 0.00 177.39 177.16 2g54 n ALA 945 N -3.14 -0.83 0.11 -1.18 0.00 0.35 -4.82 120.51 110.99 2g54 n ALA 945 Ca -0.42 0.08 0.16 0.00 0.00 0.00 0.00 53.44 53.25 2g54 n ALA 945 Cb 1.00 -1.89 0.69 0.00 0.00 0.00 0.00 19.45 19.24 2g54 n ALA 945 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g54 h VAL 946 N 0.66 0.80 -0.51 0.00 2.07 -1.94 0.13 116.25 117.46 2g54 h VAL 946 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2g54 h VAL 946 Cb 1.38 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2g54 h VAL 946 CO 0.50 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.56 2g54 n ASP 947 N -4.37 3.45 -4.68 0.57 8.00 -1.26 -4.98 116.55 113.27 2g54 n ASP 947 Ca 0.05 -1.98 -0.45 0.00 0.71 0.00 0.00 54.79 53.12 2g54 n ASP 947 Cb 0.40 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2g54 n ASP 947 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2g54 n ALA 948 N 1.43 1.49 0.26 2.24 0.00 0.44 -4.88 120.51 121.48 2g54 n ALA 948 Ca 0.21 0.42 0.14 0.00 0.00 0.00 0.00 53.44 54.21 2g54 n ALA 948 Cb 0.58 -2.34 0.60 0.00 0.00 0.00 0.00 19.45 18.29 2g54 n ALA 948 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2g54 h PRO 949 N 5.00 0.00 -0.48 0.00 0.13 -1.75 -3.14 132.00 131.77 2g54 h PRO 949 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 2g54 h PRO 949 Cb 1.26 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.13 2g54 h PRO 949 CO 0.82 0.09 -0.56 0.54 -0.23 0.00 0.00 178.00 178.66 2g54 n ARG 950 N -3.24 2.74 -2.36 0.86 1.74 -0.93 -3.90 116.66 111.56 2g54 n ARG 950 Ca 0.00 -3.75 -0.42 0.00 -0.77 0.00 0.00 57.85 52.92 2g54 n ARG 950 Cb 0.35 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 2g54 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2g54 s ARG 951 N -3.46 4.45 -0.44 5.56 3.52 -1.19 -4.68 118.95 122.72 2g54 s ARG 951 Ca 0.47 1.86 0.02 0.00 -0.13 0.00 0.00 55.73 57.95 2g54 s ARG 951 Cb 0.40 -3.28 0.13 0.00 -1.56 0.00 0.00 34.95 30.65 2g54 s ARG 951 CO -0.00 -0.19 0.23 -1.01 -0.81 0.00 0.00 175.30 173.52 2g54 s HIS 952 N 0.47 2.11 -0.12 5.12 3.76 -1.26 0.10 115.29 125.48 2g54 s HIS 952 Ca 0.56 -2.47 -0.01 0.00 -0.15 0.00 0.00 55.06 52.99 2g54 s HIS 952 Cb -0.32 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.36 2g54 s HIS 952 CO 0.33 -0.79 -0.10 0.21 -0.85 0.00 0.00 174.74 173.55 2g54 s LYS 953 N 0.37 3.30 -0.05 1.40 2.20 -0.83 0.05 119.74 126.18 2g54 s LYS 953 Ca 0.17 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 2g54 s LYS 953 Cb -0.24 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.41 2g54 s LYS 953 CO -0.01 0.33 -0.08 0.08 -0.36 0.00 0.00 175.35 175.31 2g54 s VAL 954 N 0.08 0.77 -0.03 4.02 1.01 -0.50 -1.43 120.40 124.32 2g54 s VAL 954 Ca -0.04 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2g54 s VAL 954 Cb -0.14 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 2g54 s VAL 954 CO 0.04 0.27 -0.21 -0.44 0.00 0.00 0.00 175.10 174.76 2g54 s SER 955 N 0.76 2.51 -0.21 3.32 0.01 0.39 -1.09 113.70 119.39 2g54 s SER 955 Ca -0.12 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 2g54 s SER 955 Cb -0.15 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.68 2g54 s SER 955 CO 0.02 0.24 -0.09 -0.69 0.41 0.00 0.00 173.24 173.13 2g54 s VAL 956 N -0.36 2.93 -0.23 3.43 1.01 -0.60 -0.42 120.40 126.15 2g54 s VAL 956 Ca 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2g54 s VAL 956 Cb -0.10 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2g54 s VAL 956 CO 0.00 0.42 0.02 -1.00 0.00 0.00 0.00 175.10 174.54 2g54 s HIS 957 N 1.40 3.03 -0.31 5.22 3.76 0.61 -2.32 115.29 126.68 2g54 s HIS 957 Ca 0.05 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.29 2g54 s HIS 957 Cb -0.14 -2.17 0.05 0.00 1.11 0.00 0.00 32.58 31.43 2g54 s HIS 957 CO -0.06 -0.43 0.01 0.08 -0.85 0.00 0.00 174.74 173.49 2g54 s VAL 958 N 1.52 3.03 0.46 -0.90 1.01 0.18 -0.72 120.40 124.97 2g54 s VAL 958 Ca 0.06 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 2g54 s VAL 958 Cb -0.15 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 2g54 s VAL 958 CO 0.01 -0.14 0.95 -0.76 0.00 0.00 0.00 175.10 175.16 2g54 s LEU 959 N 1.25 3.82 0.84 3.92 1.43 0.14 -0.86 118.68 129.22 2g54 s LEU 959 Ca -0.04 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 2g54 s LEU 959 Cb -0.20 -4.51 0.10 0.00 0.03 0.00 0.00 46.19 41.62 2g54 s LEU 959 CO -0.01 -0.44 1.11 0.00 0.23 0.00 0.00 176.35 177.23 2g54 s ALA 960 N -2.35 1.84 0.15 4.21 0.00 -1.23 -0.75 121.76 123.62 2g54 s ALA 960 Ca 0.60 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.59 2g54 s ALA 960 Cb -0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 2g54 s ALA 960 CO 0.21 -2.21 1.56 -0.09 0.00 0.00 0.00 175.76 175.23 2g54 h ARG 961 N -1.46 -0.31 -1.94 0.00 2.43 -0.65 -2.33 114.38 110.12 2g54 h ARG 961 Ca -0.45 0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.11 2g54 h ARG 961 Cb 1.25 0.07 -0.23 0.00 -0.42 0.00 0.00 29.97 30.65 2g54 h ARG 961 CO 0.49 -0.21 0.75 0.39 -1.51 0.00 0.00 179.97 179.88 2g54 n GLU 962 N -5.40 2.57 -3.17 0.20 1.02 -1.26 -4.50 120.64 110.09 2g54 n GLU 962 Ca -0.01 -2.94 -0.19 0.00 -0.02 0.00 0.00 57.16 54.00 2g54 n GLU 962 Cb 0.35 -2.20 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 2g54 n GLU 962 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2g54 n MET 963 N 0.08 1.13 0.00 3.49 1.56 -0.88 -5.05 117.12 117.46 2g54 n MET 963 Ca 0.51 -3.48 0.00 0.00 -0.27 0.00 0.00 57.70 54.46 2g54 n MET 963 Cb 0.40 -1.73 0.00 0.00 2.15 0.00 0.00 33.22 34.04 2g54 n MET 963 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2g54 n ASP 964 N 0.29 0.00 -4.96 6.12 5.68 -1.26 -4.48 116.55 117.94 2g54 n ASP 964 Ca 0.25 0.90 -0.22 0.00 -0.50 0.00 0.00 54.79 55.23 2g54 n ASP 964 Cb 0.63 -0.40 -0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2g54 n ASP 964 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2g54 s SER 965 N -2.93 6.05 -0.24 -1.12 0.15 -1.26 -5.07 113.70 109.27 2g54 s SER 965 Ca 0.00 0.17 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 2g54 s SER 965 Cb 0.00 -1.62 0.14 0.00 -1.71 0.00 0.00 66.02 62.84 2g54 s SER 965 CO 0.00 -0.45 1.12 0.00 1.20 0.00 0.00 173.24 175.11 2g54 s PRO 967 N -0.40 2.17 -0.22 0.00 0.04 -1.26 -5.05 135.00 130.28 2g54 s PRO 967 Ca 0.03 0.53 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 2g54 s PRO 967 Cb -0.03 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.39 2g54 s PRO 967 CO -0.05 -1.54 0.05 0.28 0.04 0.00 0.00 177.00 175.78 2g54 n VAL 968 N -3.36 1.57 -4.38 -0.36 0.31 -1.26 -4.31 118.33 106.53 2g54 n VAL 968 Ca 0.07 -0.25 -0.27 0.00 -0.01 0.00 0.00 64.34 63.88 2g54 n VAL 968 Cb 0.57 -1.92 -0.11 0.00 -0.91 0.00 0.00 33.84 31.47 2g54 n VAL 968 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2g54 s VAL 969 N -2.44 2.57 -0.06 2.52 1.01 -1.26 -4.61 120.40 118.12 2g54 s VAL 969 Ca -0.31 -1.88 0.05 0.00 0.00 0.00 0.00 61.98 59.84 2g54 s VAL 969 Cb 0.09 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2g54 s VAL 969 CO 0.59 -0.08 -0.23 -0.83 0.00 0.00 0.00 175.10 174.55 2g54 s GLY 970 N -2.60 1.21 0.03 4.51 0.00 -1.26 -4.99 107.32 104.22 2g54 s GLY 970 Ca 0.21 -0.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.80 2g54 s GLY 970 CO 0.11 -0.50 1.23 0.83 0.00 0.00 0.00 173.10 174.77 2g54 h GLU 971 N 6.25 0.46 0.00 2.90 3.07 -1.99 -3.47 114.58 121.80 2g54 h GLU 971 Ca -0.29 -0.35 0.00 0.00 -0.50 0.00 0.00 59.36 58.21 2g54 h GLU 971 Cb 1.19 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2g54 h GLU 971 CO 0.47 0.98 0.00 1.97 -1.40 0.00 0.00 179.01 181.03 2g54 n PHE 972 N -4.32 0.00 -1.37 4.33 1.16 -1.26 -5.05 117.46 110.96 2g54 n PHE 972 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 2g54 n PHE 972 Cb 0.54 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.41 2g54 n PHE 972 CO 0.00 0.00 0.00 1.51 -1.87 0.00 0.00 176.76 176.40 2g54 n ILE 978 N -1.16 0.00 -0.94 1.97 0.00 -1.26 -4.87 119.36 113.10 2g54 n ILE 978 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 62.75 62.58 2g54 n ILE 978 Cb 0.00 0.75 0.02 0.00 0.00 0.00 0.00 39.64 40.41 2g54 n ILE 978 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2g54 n ASN 979 N 0.00 6.40 -4.91 9.51 0.23 -1.26 -4.90 115.26 120.33 2g54 n ASN 979 Ca 0.00 -3.04 -0.23 0.00 -0.53 0.00 0.00 54.58 50.78 2g54 n ASN 979 Cb 0.55 -1.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.13 2g54 n ASN 979 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2g54 s LEU 980 N -1.73 4.16 0.94 -4.53 1.02 -1.26 -5.09 118.68 112.19 2g54 s LEU 980 Ca 0.33 0.01 -0.12 0.00 0.02 0.00 0.00 54.13 54.37 2g54 s LEU 980 Cb 0.25 -2.72 0.06 0.00 0.02 0.00 0.00 46.19 43.80 2g54 s LEU 980 CO -0.03 -0.01 0.58 -1.54 0.02 0.00 0.00 176.35 175.37 2g54 n SER 981 N -0.97 -1.52 -4.87 2.29 3.41 -1.26 -4.97 113.62 105.73 2g54 n SER 981 Ca -0.08 0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 58.54 2g54 n SER 981 Cb 0.56 -1.27 -0.05 0.00 -0.26 0.00 0.00 64.21 63.19 2g54 n SER 981 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2g54 s GLN 982 N -3.85 3.71 0.10 4.33 0.74 -1.26 -5.01 119.66 118.42 2g54 s GLN 982 Ca 0.59 0.10 -0.22 0.00 0.05 0.00 0.00 55.36 55.88 2g54 s GLN 982 Cb -0.22 -3.01 -0.07 0.00 1.10 0.00 0.00 33.01 30.81 2g54 s GLN 982 CO 0.65 0.58 0.66 0.00 -0.55 0.00 0.00 175.29 176.63 2g54 s ALA 983 N -1.38 3.52 0.25 1.58 0.00 -1.26 -4.61 121.76 119.85 2g54 s ALA 983 Ca 0.32 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.15 2g54 s ALA 983 Cb -0.14 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 2g54 s ALA 983 CO 0.18 0.32 1.15 -1.25 0.00 0.00 0.00 175.76 176.16 2g54 s PRO 984 N -0.98 4.56 0.10 0.00 0.04 -1.26 -4.99 135.00 132.47 2g54 s PRO 984 Ca 0.32 1.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 2g54 s PRO 984 Cb -0.21 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 2g54 s PRO 984 CO 0.22 0.06 1.20 0.00 0.04 0.00 0.00 177.00 178.53 2g54 s ALA 985 N -0.72 3.41 0.05 8.56 0.00 -1.26 -4.96 121.76 126.85 2g54 s ALA 985 Ca 0.48 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 2g54 s ALA 985 Cb -0.33 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2g54 s ALA 985 CO 0.40 -0.41 0.27 -0.51 0.00 0.00 0.00 175.76 175.51 2g54 s LEU 986 N 0.67 4.34 1.09 0.00 1.43 -1.26 -5.10 118.68 119.86 2g54 s LEU 986 Ca 0.57 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 2g54 s LEU 986 Cb -0.31 -2.89 0.25 0.00 0.03 0.00 0.00 46.19 43.27 2g54 s LEU 986 CO 0.31 0.18 1.22 -2.16 0.23 0.00 0.00 176.35 176.14 2g54 s PRO 987 N -2.18 -0.38 0.06 1.29 0.04 -1.26 -4.99 135.00 127.58 2g54 s PRO 987 Ca 0.33 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 2g54 s PRO 987 Cb -0.13 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2g54 s PRO 987 CO 0.21 -3.12 0.93 -1.14 0.04 0.00 0.00 177.00 173.93 2g54 s GLN 988 N -5.67 4.62 0.37 4.56 2.00 -1.26 -4.98 119.66 119.30 2g54 s GLN 988 Ca 0.73 1.36 -0.03 0.00 -2.00 0.00 0.00 55.36 55.42 2g54 s GLN 988 Cb -0.06 -3.40 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 2g54 s GLN 988 CO 0.55 0.14 0.62 -1.25 -0.50 0.00 0.00 175.29 174.85 2g54 s PRO 989 N 0.32 3.54 -0.27 1.67 0.04 -1.26 -4.92 135.00 134.12 2g54 s PRO 989 Ca 0.47 -0.08 -0.19 0.00 0.04 0.00 0.00 61.00 61.23 2g54 s PRO 989 Cb -0.22 -2.57 -0.02 0.00 0.04 0.00 0.00 34.50 31.73 2g54 s PRO 989 CO 0.28 0.06 0.58 -2.00 0.04 0.00 0.00 177.00 175.96 2g54 s GLU 990 N -4.24 4.03 -0.05 4.56 2.12 -0.62 -4.91 118.70 119.58 2g54 s GLU 990 Ca 0.43 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 2g54 s GLU 990 Cb -0.10 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2g54 s GLU 990 CO 0.37 -0.44 1.08 0.08 -0.54 0.00 0.00 175.26 175.81 2g54 s VAL 991 N 2.46 4.57 -0.23 3.70 1.01 -1.26 -1.92 120.40 128.74 2g54 s VAL 991 Ca 0.24 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.82 2g54 s VAL 991 Cb -0.15 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 2g54 s VAL 991 CO 0.10 0.05 0.89 -0.63 0.00 0.00 0.00 175.10 175.50 2g54 s ILE 992 N 1.75 4.80 -0.23 2.22 1.01 -0.24 -4.89 121.20 125.61 2g54 s ILE 992 Ca 0.52 1.70 0.15 0.00 0.00 0.00 0.00 60.65 63.03 2g54 s ILE 992 Cb -0.22 -4.17 -0.22 0.00 0.01 0.00 0.00 42.46 37.86 2g54 s ILE 992 CO 0.22 -0.09 0.43 0.00 0.00 0.00 0.00 174.94 175.50 2g54 n GLN 993 N 5.99 0.95 -3.60 2.79 6.02 -1.26 -4.63 117.38 123.65 2g54 n GLN 993 Ca 0.07 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 2g54 n GLN 993 Cb 0.47 -1.32 -0.12 0.00 1.02 0.00 0.00 30.24 30.30 2g54 n GLN 993 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2g54 s ASN 994 N -3.36 0.34 0.23 1.08 3.84 -1.26 -5.05 114.94 110.76 2g54 s ASN 994 Ca -0.02 0.52 -0.07 0.00 0.21 0.00 0.00 52.86 53.50 2g54 s ASN 994 Cb 0.10 0.85 0.28 0.00 -0.55 0.00 0.00 41.25 41.93 2g54 s ASN 994 CO 0.63 -0.26 1.86 0.24 -2.79 0.00 0.00 177.10 176.79 2g54 h MET 995 N 8.25 0.98 -0.02 0.43 2.86 -1.99 -0.73 114.93 124.71 2g54 h MET 995 Ca -0.16 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2g54 h MET 995 Cb 1.12 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 2g54 h MET 995 CO 0.17 0.65 0.01 1.15 1.06 0.00 0.00 176.91 179.95 2g54 h THR 996 N 1.01 1.08 -0.59 2.22 2.02 -1.96 -1.81 112.91 114.87 2g54 h THR 996 Ca 0.35 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.34 2g54 h THR 996 Cb 0.07 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2g54 h THR 996 CO -0.14 0.07 0.30 -0.33 0.37 0.00 0.00 175.52 175.79 2g54 h GLU 997 N -0.07 0.54 -0.01 6.66 5.08 -1.92 -0.91 114.58 123.95 2g54 h GLU 997 Ca 0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2g54 h GLU 997 Cb 0.10 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2g54 h GLU 997 CO -0.00 0.35 -0.23 0.35 -1.00 0.00 0.00 179.01 178.48 2g54 h PHE 998 N 0.55 -0.62 -0.62 4.33 3.57 -0.91 -1.05 116.94 122.20 2g54 h PHE 998 Ca 0.27 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 2g54 h PHE 998 Cb 0.21 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 2g54 h PHE 998 CO -0.11 -0.32 0.24 0.87 -2.23 0.00 0.00 178.31 176.76 2g54 h LYS 999 N -0.36 0.93 -0.37 1.11 1.57 -0.98 -2.87 116.57 115.60 2g54 h LYS 999 Ca 0.06 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2g54 h LYS 999 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2g54 h LYS 999 CO -0.22 0.79 0.14 0.00 -0.57 0.00 0.00 179.45 179.59 2g54 h ARG 1000N 0.86 0.53 -0.06 3.15 3.08 -0.88 -2.47 114.38 118.58 2g54 h ARG 1000Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2g54 h ARG 1000Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2g54 h ARG 1000CO -0.01 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 2g54 n GLY 1001N -1.18 -0.66 3.24 0.04 0.00 -0.42 -4.84 105.19 101.37 2g54 n GLY 1001Ca 0.02 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 2g54 n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g54 s LEU 1002N -1.29 2.38 0.76 0.99 1.02 -0.93 -5.08 118.68 116.52 2g54 s LEU 1002Ca 0.17 -0.78 -0.12 0.00 0.02 0.00 0.00 54.13 53.42 2g54 s LEU 1002Cb 0.08 -0.57 0.05 0.00 0.02 0.00 0.00 46.19 45.77 2g54 s LEU 1002CO 0.13 -0.12 1.13 -2.16 0.02 0.00 0.00 176.35 175.35 2g54 s PRO 1003N -2.53 2.43 -0.06 1.29 0.04 -1.26 -4.87 135.00 130.04 2g54 s PRO 1003Ca 0.08 0.36 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2g54 s PRO 1003Cb -0.06 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2g54 s PRO 1003CO 0.03 -1.32 -0.17 -0.51 0.04 0.00 0.00 177.00 175.08 2g54 s LEU 1004N -5.50 2.58 0.83 -3.56 1.43 -1.26 -0.64 118.68 112.57 2g54 s LEU 1004Ca 0.60 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 2g54 s LEU 1004Cb -0.11 -1.52 0.10 0.00 0.03 0.00 0.00 46.19 44.68 2g54 s LEU 1004CO 0.51 0.30 1.16 -0.36 0.23 0.00 0.00 176.35 178.20 2g54 s PHE 1005N -0.46 1.88 0.84 0.29 0.40 -0.48 -4.86 117.98 115.59 2g54 s PHE 1005Ca 0.06 1.70 -0.12 0.00 -0.60 0.00 0.00 56.93 57.97 2g54 s PHE 1005Cb -0.12 -3.36 0.13 0.00 0.51 0.00 0.00 43.02 40.18 2g54 s PHE 1005CO 0.02 -2.63 1.19 -1.25 0.70 0.00 0.00 175.22 173.24 2g54 s PRO 1006N -4.41 1.49 0.16 0.24 0.04 -1.26 -4.59 135.00 126.66 2g54 s PRO 1006Ca 0.69 -0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 2g54 s PRO 1006Cb -0.24 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2g54 s PRO 1006CO 0.53 -1.82 0.62 -0.51 0.04 0.00 0.00 177.00 175.86 2g54 s LEU 1007N -5.60 4.38 0.53 -3.56 2.01 -1.26 -4.87 118.68 110.32 2g54 s LEU 1007Ca 0.66 1.24 -0.21 0.00 0.01 0.00 0.00 54.13 55.84 2g54 s LEU 1007Cb -0.08 -3.32 -0.05 0.00 0.01 0.00 0.00 46.19 42.75 2g54 s LEU 1007CO 0.49 0.11 1.26 0.54 1.01 0.00 0.00 176.35 179.76 2g54 s VAL 1008N -1.42 2.53 0.20 -1.59 0.11 -1.26 -5.00 120.40 113.97 2g54 s VAL 1008Ca 0.38 0.38 -0.02 0.00 -2.93 0.00 0.00 61.98 59.78 2g54 s VAL 1008Cb -0.17 -3.18 -0.05 0.00 -1.53 0.00 0.00 36.38 31.46 2g54 s VAL 1008CO 0.20 -0.02 0.41 -0.54 -3.33 0.00 0.00 175.10 171.81 2g54 s LYS 1009N -2.96 3.56 0.83 1.54 -0.14 -1.26 -5.00 119.74 116.30 2g54 s LYS 1009Ca 0.71 -0.24 -0.11 0.00 -1.36 0.00 0.00 55.97 54.97 2g54 s LYS 1009Cb -0.34 -2.81 0.09 0.00 -1.68 0.00 0.00 37.83 33.08 2g54 s LYS 1009CO 0.40 0.39 1.09 -2.14 -0.76 0.00 0.00 175.35 174.33 2g54 s PRO 1010N -3.21 1.85 0.00 -1.68 0.02 -1.26 -4.84 135.00 125.89 2g54 s PRO 1010Ca 0.40 0.80 0.00 0.00 0.02 0.00 0.00 61.00 62.22 2g54 s PRO 1010Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2g54 s PRO 1010CO 0.28 -1.83 0.00 1.58 -0.33 0.00 0.00 177.00 176.71 2g54 n HIS 1011N -3.60 0.00 -4.42 6.54 -0.00 -0.37 -5.03 115.22 108.34 2g54 n HIS 1011Ca 0.07 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.04 2g54 n HIS 1011Cb 0.55 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.36 2g54 n HIS 1011CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2g54 n ILE 1012N 0.00 0.00 -3.65 3.57 -0.00 -1.26 -4.88 119.36 113.15 2g54 n ILE 1012Ca 0.00 -1.92 -0.05 0.00 -0.00 0.00 0.00 62.75 60.78 2g54 n ILE 1012Cb 0.00 0.67 -0.07 0.00 -0.00 0.00 0.00 39.64 40.24 2g54 n ILE 1012CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 2g54 s ASN 1013N -3.04 -0.17 0.00 7.28 0.01 -1.26 -4.93 114.94 112.83 2g54 s ASN 1013Ca 0.16 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.64 2g54 s ASN 1013Cb 0.01 0.34 0.00 0.00 0.41 0.00 0.00 41.25 42.00 2g54 s ASN 1013CO 0.11 -0.06 0.12 0.49 -1.51 0.00 0.00 177.10 176.25