#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g54 n ASN 44 N 0.00 0.13 0.24 6.41 4.05 -1.26 -4.77 115.26 120.06 2g54 n ASN 44 Ca 0.00 0.11 0.16 0.00 0.45 0.00 0.00 54.58 55.30 2g54 n ASN 44 Cb 0.00 -0.19 0.65 0.00 1.23 0.00 0.00 39.78 41.47 2g54 n ASN 44 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2g54 h PRO 45 N 2.08 0.00 0.00 1.20 0.13 -2.04 -2.85 132.00 130.51 2g54 h PRO 45 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2g54 h PRO 45 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2g54 h PRO 45 CO 0.25 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 177.91 2g54 n ALA 46 N -2.01 2.39 -3.56 -0.56 0.00 -1.26 -4.68 120.51 110.83 2g54 n ALA 46 Ca 0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 2g54 n ALA 46 Cb 0.28 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 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 -3.11 3.24 0.17 0.00 1.01 -1.08 -0.86 121.20 120.58 2g54 s ILE 47 Ca 0.10 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2g54 s ILE 47 Cb 0.12 -2.47 -0.13 0.00 0.01 0.00 0.00 42.46 39.99 2g54 s ILE 47 CO 0.62 0.43 1.40 0.50 0.00 0.00 0.00 174.94 177.89 2g54 h LYS 48 N 8.10 0.25 -1.32 2.79 3.64 -1.09 -3.44 116.57 125.49 2g54 h LYS 48 Ca -0.42 -0.24 0.16 0.00 -1.27 0.00 0.00 60.65 58.87 2g54 h LYS 48 Cb 1.16 0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 32.79 2g54 h LYS 48 CO 0.61 0.94 0.74 -0.98 -2.27 0.00 0.00 179.45 178.49 2g54 s ARG 49 N -3.34 0.33 -0.28 1.90 1.70 -1.06 -4.99 118.95 113.21 2g54 s ARG 49 Ca -0.04 0.10 -0.03 0.00 -0.47 0.00 0.00 55.73 55.29 2g54 s ARG 49 Cb 0.10 0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2g54 s ARG 49 CO 0.83 -0.10 -0.00 0.42 -1.08 0.00 0.00 175.30 175.37 2g54 s ILE 50 N -1.00 3.20 1.09 4.99 1.01 -1.26 -1.04 121.20 128.19 2g54 s ILE 50 Ca 0.03 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 2g54 s ILE 50 Cb -0.01 -2.71 0.19 0.00 0.01 0.00 0.00 42.46 39.94 2g54 s ILE 50 CO -0.03 0.05 0.69 0.61 0.00 0.00 0.00 174.94 176.26 2g54 n GLY 51 N 4.71 -1.88 1.99 6.18 0.00 -0.44 -4.97 105.19 110.78 2g54 n GLY 51 Ca -0.15 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 2g54 n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2g54 n ASN 52 N -3.51 -0.24 -4.56 1.61 5.03 -1.26 -4.69 115.26 107.63 2g54 n ASN 52 Ca 0.04 -1.18 -0.53 0.00 0.87 0.00 0.00 54.58 53.79 2g54 n ASN 52 Cb 0.56 -0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 38.73 2g54 n ASN 52 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2g54 n HIS 53 N -3.10 1.22 -2.88 3.10 -0.00 -1.26 -4.69 115.22 107.61 2g54 n HIS 53 Ca 0.09 0.75 -0.43 0.00 -0.00 0.00 0.00 57.72 58.13 2g54 n HIS 53 Cb 0.30 -2.26 -0.04 0.00 -0.00 0.00 0.00 29.99 27.99 2g54 n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2g54 s ILE 54 N 0.20 4.62 0.06 3.57 -1.09 -1.26 -4.71 121.20 122.59 2g54 s ILE 54 Ca 0.83 0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 59.85 2g54 s ILE 54 Cb -1.00 -4.31 -0.09 0.00 -1.58 0.00 0.00 42.46 35.48 2g54 s ILE 54 CO 0.50 -0.58 1.88 -0.89 -1.23 0.00 0.00 174.94 174.62 2g54 s THR 55 N 3.38 2.89 0.29 2.92 2.01 -0.97 -4.95 115.64 121.22 2g54 s THR 55 Ca 0.35 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.47 2g54 s THR 55 Cb -0.12 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2g54 s THR 55 CO 0.20 -0.01 0.12 -1.59 -0.69 0.00 0.00 174.62 172.66 2g54 s LYS 56 N 3.74 1.53 0.31 4.92 -2.85 -1.26 -4.35 119.74 121.79 2g54 s LYS 56 Ca 0.84 -1.86 -0.28 0.00 -1.00 0.00 0.00 55.97 53.67 2g54 s LYS 56 Cb -0.43 -0.23 -0.09 0.00 -2.06 0.00 0.00 37.83 35.01 2g54 s LYS 56 CO 0.38 -0.37 1.05 0.45 0.10 0.00 0.00 175.35 176.97 2g54 s SER 57 N -3.37 7.18 0.00 0.03 0.15 -1.26 -4.90 113.70 111.53 2g54 s SER 57 Ca 0.36 2.14 0.08 0.00 0.70 0.00 0.00 55.95 59.23 2g54 s SER 57 Cb 0.06 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.13 2g54 s SER 57 CO 0.15 -0.20 1.20 -0.81 1.20 0.00 0.00 173.24 174.79 2g54 n PRO 58 N 0.84 0.05 0.03 5.44 -0.04 -1.26 -0.75 135.00 139.31 2g54 n PRO 58 Ca 0.01 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2g54 n PRO 58 Cb 0.47 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.47 2g54 n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g54 n GLU 59 N -1.41 0.30 -2.75 0.54 -0.58 -1.26 -4.83 120.64 110.65 2g54 n GLU 59 Ca 0.03 0.01 -0.43 0.00 -0.42 0.00 0.00 57.16 56.35 2g54 n GLU 59 Cb 0.08 -1.61 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 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 -4.01 6.50 0.21 1.62 3.68 0.07 -4.90 116.67 119.84 2g54 s ASP 60 Ca 0.04 0.13 0.26 0.00 2.13 0.00 0.00 52.55 55.11 2g54 s ASP 60 Cb 0.14 -2.48 0.81 0.00 -1.45 0.00 0.00 42.92 39.94 2g54 s ASP 60 CO 0.79 -1.17 1.77 0.29 0.13 0.00 0.00 175.17 176.98 2g54 n LYS 61 N 7.51 0.26 -1.98 4.34 4.01 -1.26 -4.83 118.16 126.20 2g54 n LYS 61 Ca 0.07 0.21 -0.36 0.00 -0.51 0.00 0.00 58.31 57.72 2g54 n LYS 61 Cb 0.49 -1.80 0.04 0.00 -0.51 0.00 0.00 35.03 33.24 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 -3.10 2.95 -0.09 1.97 0.52 -1.26 -5.01 118.95 114.92 2g54 s ARG 62 Ca 0.11 1.87 -0.05 0.00 -0.52 0.00 0.00 55.73 57.14 2g54 s ARG 62 Cb 0.12 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 2g54 s ARG 62 CO 0.60 -1.23 0.10 -1.21 0.02 0.00 0.00 175.30 173.58 2g54 s GLU 63 N -3.30 3.29 0.08 3.54 0.41 -0.67 -4.94 118.70 117.09 2g54 s GLU 63 Ca 0.78 -0.25 0.06 0.00 -0.41 0.00 0.00 54.97 55.15 2g54 s GLU 63 Cb -0.32 -3.05 -0.03 0.00 -1.78 0.00 0.00 34.13 28.96 2g54 s GLU 63 CO 0.34 0.74 -0.17 0.71 -0.49 0.00 0.00 175.26 176.39 2g54 s TYR 64 N -1.03 1.48 -0.13 1.61 1.51 -1.26 -0.55 117.35 118.97 2g54 s TYR 64 Ca 0.16 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 2g54 s TYR 64 Cb -0.12 -0.83 0.06 0.00 -0.11 0.00 0.00 41.96 40.96 2g54 s TYR 64 CO 0.05 0.11 0.29 0.50 -1.11 0.00 0.00 175.55 175.39 2g54 s ARG 65 N -1.66 0.20 0.07 -0.62 3.52 -0.58 -4.65 118.95 115.22 2g54 s ARG 65 Ca 0.02 0.74 0.01 0.00 -0.13 0.00 0.00 55.73 56.37 2g54 s ARG 65 Cb -0.10 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 2g54 s ARG 65 CO 0.03 -0.25 0.20 0.20 -0.81 0.00 0.00 175.30 174.67 2g54 s GLY 66 N 2.12 2.13 0.05 8.12 0.00 -1.26 -0.43 107.32 118.05 2g54 s GLY 66 Ca -0.02 -0.88 -0.27 0.00 0.00 0.00 0.00 44.72 43.54 2g54 s GLY 66 CO -0.09 -0.86 0.90 0.48 0.00 0.00 0.00 173.10 173.53 2g54 s LEU 67 N -2.55 -0.31 -0.09 0.66 0.05 -0.24 -1.33 118.68 114.87 2g54 s LEU 67 Ca 0.34 -0.12 0.01 0.00 0.05 0.00 0.00 54.13 54.41 2g54 s LEU 67 Cb -0.13 2.08 0.02 0.00 -2.05 0.00 0.00 46.19 46.11 2g54 s LEU 67 CO 0.27 -0.72 -0.12 -0.70 -0.55 0.00 0.00 176.35 174.54 2g54 s GLU 68 N -3.19 1.80 0.74 1.48 2.12 -0.21 -0.21 118.70 121.22 2g54 s GLU 68 Ca 0.07 -0.41 -0.11 0.00 0.36 0.00 0.00 54.97 54.88 2g54 s GLU 68 Cb -0.01 -1.58 0.03 0.00 0.26 0.00 0.00 34.13 32.83 2g54 s GLU 68 CO -0.06 -0.07 1.08 -0.51 -0.54 0.00 0.00 175.26 175.16 2g54 s LEU 69 N 1.01 2.86 0.30 2.70 1.43 -0.40 -0.70 118.68 125.88 2g54 s LEU 69 Ca -0.08 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.44 2g54 s LEU 69 Cb -0.15 -4.16 0.54 0.00 0.03 0.00 0.00 46.19 42.46 2g54 s LEU 69 CO -0.01 -1.64 1.89 0.00 0.23 0.00 0.00 176.35 176.82 2g54 h ALA 70 N -0.86 1.53 0.00 4.21 0.00 -1.27 0.90 119.26 123.76 2g54 h ALA 70 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2g54 h ALA 70 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2g54 h ALA 70 CO 0.59 0.31 0.00 0.27 0.00 0.00 0.00 179.25 180.42 2g54 n ASN 71 N -4.52 0.00 0.00 0.00 0.23 -1.26 -4.87 115.26 104.84 2g54 n ASN 71 Ca 0.15 -0.74 0.00 0.00 -0.53 0.00 0.00 54.58 53.46 2g54 n ASN 71 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 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 0.44 0.76 3.68 4.83 0.00 0.31 -3.16 105.19 112.05 2g54 n GLY 72 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.26 4.50 0.09 -0.61 1.01 -1.22 -4.51 121.20 118.20 2g54 s ILE 73 Ca 0.00 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 2g54 s ILE 73 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2g54 s ILE 73 CO 0.00 -0.05 0.92 -0.54 0.00 0.00 0.00 174.94 175.27 2g54 s LYS 74 N 2.51 4.64 0.02 2.79 1.02 -0.83 -1.28 119.74 128.62 2g54 s LYS 74 Ca 0.51 1.37 0.03 0.00 0.02 0.00 0.00 55.97 57.91 2g54 s LYS 74 Cb -0.21 -3.38 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 2g54 s LYS 74 CO 0.17 0.20 -0.10 0.08 -0.92 0.00 0.00 175.35 174.77 2g54 s VAL 75 N 0.10 0.79 -0.10 3.17 1.01 0.70 -0.07 120.40 126.00 2g54 s VAL 75 Ca 0.46 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2g54 s VAL 75 Cb -0.22 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2g54 s VAL 75 CO 0.28 -0.03 -0.04 -0.22 0.00 0.00 0.00 175.10 175.10 2g54 s LEU 76 N -0.90 0.96 -0.12 3.92 1.98 -0.41 -1.08 118.68 123.03 2g54 s LEU 76 Ca -0.01 -0.26 -0.05 0.00 -2.89 0.00 0.00 54.13 50.93 2g54 s LEU 76 Cb -0.07 -0.66 -0.04 0.00 0.66 0.00 0.00 46.19 46.08 2g54 s LEU 76 CO 0.01 -0.16 0.05 -0.76 -1.89 0.00 0.00 176.35 173.60 2g54 s LEU 77 N 1.82 3.86 -0.15 -0.68 1.43 0.43 -1.87 118.68 123.54 2g54 s LEU 77 Ca 0.04 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2g54 s LEU 77 Cb -0.13 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2g54 s LEU 77 CO -0.07 0.33 -0.11 -0.63 0.23 0.00 0.00 176.35 176.10 2g54 s ILE 78 N -0.56 1.36 -0.24 -0.59 1.01 0.78 -1.53 121.20 121.43 2g54 s ILE 78 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2g54 s ILE 78 Cb -0.12 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2g54 s ILE 78 CO 0.02 0.36 0.11 -0.55 0.00 0.00 0.00 174.94 174.87 2g54 s SER 79 N 1.56 5.57 -0.36 3.58 0.15 0.28 -1.43 113.70 123.06 2g54 s SER 79 Ca 0.04 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2g54 s SER 79 Cb -0.13 -2.00 0.12 0.00 -1.71 0.00 0.00 66.02 62.30 2g54 s SER 79 CO -0.09 0.02 0.18 -0.62 1.20 0.00 0.00 173.24 173.93 2g54 s ASP 80 N 1.29 3.53 0.00 5.45 -1.08 0.11 -1.67 116.67 124.30 2g54 s ASP 80 Ca 0.06 -2.09 0.01 0.00 -0.52 0.00 0.00 52.55 50.01 2g54 s ASP 80 Cb -0.15 -0.72 0.04 0.00 -1.46 0.00 0.00 42.92 40.63 2g54 s ASP 80 CO 0.05 -0.34 0.97 -2.65 0.52 0.00 0.00 175.17 173.73 2g54 n PRO 81 N 4.22 0.00 0.00 4.34 -0.02 -1.26 -1.97 135.00 140.31 2g54 n PRO 81 Ca 0.05 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 2g54 n PRO 81 Cb 0.38 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.44 0.00 -2.14 3.45 -2.24 -1.26 -4.92 114.28 105.73 2g54 n THR 82 Ca 0.00 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2g54 n THR 82 Cb 0.01 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 2g54 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2g54 s THR 83 N -1.86 2.91 0.03 4.28 -1.32 -0.83 -4.92 115.64 113.93 2g54 s THR 83 Ca 0.12 0.80 0.06 0.00 -1.21 0.00 0.00 61.69 61.47 2g54 s THR 83 Cb 0.12 -3.51 -0.23 0.00 -1.51 0.00 0.00 72.50 67.37 2g54 s THR 83 CO 0.40 0.15 0.94 0.44 -2.21 0.00 0.00 174.62 174.34 2g54 h ASP 84 N 4.57 0.10 -4.15 8.08 3.32 -1.94 -3.44 116.42 122.96 2g54 h ASP 84 Ca -0.46 -0.15 -0.69 0.00 0.02 0.00 0.00 57.03 55.75 2g54 h ASP 84 Cb 1.22 -0.03 -0.31 0.00 0.22 0.00 0.00 39.33 40.43 2g54 h ASP 84 CO 0.73 1.12 -0.88 -0.54 -1.72 0.00 0.00 179.24 177.96 2g54 s LYS 85 N -2.64 2.46 0.33 3.56 1.02 -1.26 -1.72 119.74 121.48 2g54 s LYS 85 Ca -0.04 -0.90 0.07 0.00 0.02 0.00 0.00 55.97 55.12 2g54 s LYS 85 Cb 0.08 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2g54 s LYS 85 CO 0.83 0.44 0.41 -1.12 -0.92 0.00 0.00 175.35 174.98 2g54 s SER 86 N -0.30 5.77 0.24 2.83 0.01 0.21 -4.78 113.70 117.68 2g54 s SER 86 Ca 0.00 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 56.77 2g54 s SER 86 Cb -0.13 -1.17 0.04 0.00 0.21 0.00 0.00 66.02 64.97 2g54 s SER 86 CO 0.02 -0.39 0.67 -0.94 0.41 0.00 0.00 173.24 173.01 2g54 s SER 87 N -4.11 -0.35 0.14 2.44 1.04 -0.41 -0.35 113.70 112.10 2g54 s SER 87 Ca 0.43 -0.42 -0.16 0.00 0.48 0.00 0.00 55.95 56.28 2g54 s SER 87 Cb -0.08 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.76 2g54 s SER 87 CO 0.30 -1.22 0.42 0.00 0.98 0.00 0.00 173.24 173.72 2g54 s ALA 88 N -3.87 -0.94 0.01 5.32 0.00 -1.01 -0.21 121.76 121.06 2g54 s ALA 88 Ca 0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 2g54 s ALA 88 Cb -0.04 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.84 2g54 s ALA 88 CO 0.00 -0.67 0.41 0.00 0.00 0.00 0.00 175.76 175.51 2g54 s ALA 89 N -3.81 -1.03 -0.03 0.00 0.00 -0.66 -1.86 121.76 114.35 2g54 s ALA 89 Ca 0.04 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.46 2g54 s ALA 89 Cb 0.01 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2g54 s ALA 89 CO -0.11 -0.38 -0.01 -1.17 0.00 0.00 0.00 175.76 174.10 2g54 s LEU 90 N -1.66 1.21 -0.18 0.00 0.20 0.04 -2.07 118.68 116.23 2g54 s LEU 90 Ca -0.09 -0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.69 2g54 s LEU 90 Cb -0.02 -0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.49 2g54 s LEU 90 CO 0.02 -0.09 -0.16 -0.62 -0.29 0.00 0.00 176.35 175.21 2g54 s ASP 91 N 0.98 3.48 -0.18 3.68 2.15 0.15 -1.39 116.67 125.53 2g54 s ASP 91 Ca -0.10 -0.56 -0.14 0.00 0.43 0.00 0.00 52.55 52.18 2g54 s ASP 91 Cb -0.14 -1.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.89 2g54 s ASP 91 CO -0.01 0.02 0.29 -0.69 -0.17 0.00 0.00 175.17 174.61 2g54 s VAL 92 N 1.18 5.30 -0.33 1.11 1.01 -0.48 -1.92 120.40 126.27 2g54 s VAL 92 Ca 0.02 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 2g54 s VAL 92 Cb -0.14 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.39 2g54 s VAL 92 CO -0.07 0.36 3.47 1.57 0.00 0.00 0.00 175.10 180.43 2g54 n HIS 93 N 3.83 0.52 -3.79 5.22 -0.00 -0.00 -1.86 115.22 119.14 2g54 n HIS 93 Ca -0.12 -1.82 -0.13 0.00 0.46 0.00 0.00 57.72 56.11 2g54 n HIS 93 Cb 0.52 -1.77 -0.13 0.00 -0.12 0.00 0.00 29.99 28.49 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 1.12 -0.01 0.00 3.57 -1.16 -0.60 -4.76 121.20 119.36 2g54 s ILE 94 Ca 0.67 0.04 0.00 0.00 -0.51 0.00 0.00 60.65 60.86 2g54 s ILE 94 Cb 0.29 -0.26 0.00 0.00 0.61 0.00 0.00 42.46 43.10 2g54 s ILE 94 CO -0.02 0.02 0.00 0.61 -2.81 0.00 0.00 174.94 172.74 2g54 n GLY 95 N 3.32 4.21 0.38 1.50 0.00 -1.17 -2.88 105.19 110.55 2g54 n GLY 95 Ca -0.16 -1.42 0.20 0.00 0.00 0.00 0.00 46.02 44.63 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 0.41 1.61 4.64 -1.12 0.17 113.55 119.26 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 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 2g54 h LEU 97 N 0.00 0.00 -2.84 5.97 4.07 -1.49 -0.51 115.31 120.52 2g54 h LEU 97 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2g54 h LEU 97 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 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 -2.83 4.01 -4.76 -0.43 7.64 0.58 -4.91 113.62 112.91 2g54 n SER 98 Ca -0.01 -2.09 -0.39 0.00 1.01 0.00 0.00 58.87 57.39 2g54 n SER 98 Cb 0.16 -0.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.99 6.00 0.33 6.43 -0.00 -0.20 -4.93 116.67 123.30 2g54 s ASP 99 Ca 0.47 2.70 -0.29 0.00 -0.00 0.00 0.00 52.55 55.43 2g54 s ASP 99 Cb 0.26 -2.64 -0.10 0.00 -0.00 0.00 0.00 42.92 40.44 2g54 s ASP 99 CO 0.30 -1.07 1.37 -2.16 -0.00 0.00 0.00 175.17 173.61 2g54 s PRO 100 N -2.47 4.28 0.50 8.23 0.04 -1.26 -4.86 135.00 139.46 2g54 s PRO 100 Ca 0.61 2.32 0.29 0.00 0.04 0.00 0.00 61.00 64.26 2g54 s PRO 100 Cb -0.39 -3.05 1.39 0.00 0.04 0.00 0.00 34.50 32.49 2g54 s PRO 100 CO 0.49 -0.31 1.86 -1.35 0.04 0.00 0.00 177.00 177.73 2g54 h PRO 101 N 3.56 0.11 -0.01 0.56 0.11 -1.99 -0.95 132.00 133.39 2g54 h PRO 101 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2g54 h PRO 101 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2g54 h PRO 101 CO 0.67 0.07 -0.13 0.27 -0.21 0.00 0.00 178.00 178.68 2g54 n ASN 102 N -4.34 1.28 -3.33 -2.05 2.04 -1.26 -4.52 115.26 103.08 2g54 n ASN 102 Ca 0.20 -1.20 -0.26 0.00 -0.44 0.00 0.00 54.58 52.88 2g54 n ASN 102 Cb 0.95 0.07 -0.09 0.00 -2.53 0.00 0.00 39.78 38.18 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 -0.22 -0.97 -1.96 1.53 5.41 -0.36 -4.86 119.36 117.93 2g54 n ILE 103 Ca 0.16 -3.66 -0.42 0.00 1.00 0.00 0.00 62.75 59.83 2g54 n ILE 103 Cb 0.35 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 2g54 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2g54 s ALA 104 N -0.40 3.73 0.00 -1.39 0.00 -1.25 -2.71 121.76 119.74 2g54 s ALA 104 Ca 0.34 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2g54 s ALA 104 Cb 0.08 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2g54 s ALA 104 CO -0.17 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.23 2g54 n GLY 105 N 3.28 0.78 0.31 0.00 0.00 -1.19 -4.37 105.19 104.01 2g54 n GLY 105 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 0.98 -0.76 0.99 5.85 -1.80 -0.46 115.31 120.11 2g54 h LEU 106 Ca 0.00 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 2g54 h LEU 106 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 2g54 h LEU 106 CO 0.00 0.81 0.08 0.77 -0.34 0.00 0.00 178.44 179.76 2g54 h SER 107 N 1.07 0.98 -0.46 1.25 4.64 -1.89 0.13 113.55 119.25 2g54 h SER 107 Ca 0.27 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2g54 h SER 107 Cb 0.07 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2g54 h SER 107 CO -0.04 0.99 0.00 -0.74 -0.87 0.00 0.00 176.83 176.17 2g54 h HIS 108 N 0.95 0.95 -0.44 4.77 -0.00 -1.73 -1.75 115.15 117.90 2g54 h HIS 108 Ca 0.19 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.37 60.31 2g54 h HIS 108 Cb 0.44 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2g54 h HIS 108 CO 0.03 0.86 -0.15 0.35 -0.00 0.00 0.00 177.93 179.02 2g54 h PHE 109 N 0.82 0.99 -0.63 5.26 3.57 -0.42 -2.27 116.94 124.26 2g54 h PHE 109 Ca 0.16 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.44 2g54 h PHE 109 Cb 0.48 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2g54 h PHE 109 CO 0.03 1.00 0.42 0.00 -2.23 0.00 0.00 178.31 177.52 2g54 h GLN 111 N 0.83 0.28 -0.18 0.00 4.15 -0.76 -1.90 115.11 117.53 2g54 h GLN 111 Ca 0.24 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 2g54 h GLN 111 Cb -0.06 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 2g54 h GLN 111 CO -0.05 0.19 0.07 0.45 -1.93 0.00 0.00 178.83 177.55 2g54 h HIS 112 N 0.29 0.28 -0.33 3.99 3.86 -1.01 -3.24 115.15 118.99 2g54 h HIS 112 Ca 0.10 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2g54 h HIS 112 Cb -0.00 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 2g54 h HIS 112 CO -0.08 0.34 0.22 0.52 0.86 0.00 0.00 177.93 179.80 2g54 h MET 113 N 0.13 0.41 0.00 2.45 2.86 -1.01 -2.94 114.93 116.83 2g54 h MET 113 Ca 0.06 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2g54 h MET 113 Cb 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2g54 h MET 113 CO -0.00 0.27 0.00 -0.07 1.06 0.00 0.00 176.91 178.17 2g54 h LEU 114 N 0.43 0.00 0.00 1.22 3.38 -1.37 -0.71 115.31 118.25 2g54 h LEU 114 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2g54 h LEU 114 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2g54 h LEU 114 CO -0.03 0.00 -0.37 0.49 0.09 0.00 0.00 178.44 178.62 2g54 n PHE 115 N -2.90 0.33 -0.12 1.13 3.01 -1.11 -4.28 117.46 113.52 2g54 n PHE 115 Ca -0.03 0.10 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 2g54 n PHE 115 Cb 0.07 -0.54 0.13 0.00 -0.01 0.00 0.00 39.48 39.12 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 -1.82 4.55 0.00 4.37 4.77 -0.27 -4.68 117.00 123.91 2g54 n LEU 116 Ca 0.05 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 2g54 n LEU 116 Cb 0.39 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2g54 n LEU 116 CO 0.33 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 2g54 n GLY 117 N -0.17 3.29 3.34 -0.72 0.00 -1.26 -4.37 105.19 105.31 2g54 n GLY 117 Ca 0.27 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.09 0.85 0.23 2.61 -4.23 -0.44 -1.06 115.64 112.52 2g54 s THR 118 Ca 0.00 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 2g54 s THR 118 Cb 0.00 -2.52 0.21 0.00 1.34 0.00 0.00 72.50 71.54 2g54 s THR 118 CO 0.00 -0.16 1.88 0.50 -0.54 0.00 0.00 174.62 176.30 2g54 h LYS 119 N 2.39 1.23 -0.26 3.99 3.64 -1.32 0.23 116.57 126.46 2g54 h LYS 119 Ca -0.39 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 58.72 2g54 h LYS 119 Cb 1.23 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2g54 h LYS 119 CO 0.64 0.86 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.96 2g54 h LYS 120 N 1.24 0.72 -2.59 1.90 3.64 -1.96 -3.36 116.57 116.16 2g54 h LYS 120 Ca 0.32 -0.43 -0.60 0.00 -1.27 0.00 0.00 60.65 58.68 2g54 h LYS 120 Cb -0.05 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 31.41 2g54 h LYS 120 CO -0.06 1.05 -0.82 0.66 -2.27 0.00 0.00 179.45 178.01 2g54 n TYR 121 N -4.00 0.91 -0.17 1.91 4.02 -0.93 -5.00 117.16 113.90 2g54 n TYR 121 Ca -0.03 -3.74 0.12 0.00 -0.01 0.00 0.00 57.90 54.23 2g54 n TYR 121 Cb 0.59 -0.16 0.44 0.00 -0.02 0.00 0.00 39.34 40.19 2g54 n TYR 121 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2g54 h PRO 122 N 5.33 0.54 -6.34 -0.72 0.11 -0.73 -1.17 132.00 129.01 2g54 h PRO 122 Ca 0.21 -0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.64 2g54 h PRO 122 Cb 0.83 -0.12 0.05 0.00 0.11 0.00 0.00 31.00 31.88 2g54 h PRO 122 CO 0.53 0.36 0.61 1.17 -0.21 0.00 0.00 178.00 180.46 2g54 n LYS 123 N -4.49 1.52 -0.35 1.05 4.81 -1.26 -4.50 118.16 114.94 2g54 n LYS 123 Ca 0.13 0.55 0.13 0.00 -0.87 0.00 0.00 58.31 58.25 2g54 n LYS 123 Cb 0.41 -2.24 0.32 0.00 0.02 0.00 0.00 35.03 33.53 2g54 n LYS 123 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2g54 h GLU 124 N 5.31 0.73 -0.02 1.64 4.81 -1.87 -2.60 114.58 122.58 2g54 h GLU 124 Ca -0.47 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 2g54 h GLU 124 Cb 1.30 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2g54 h GLU 124 CO 0.83 0.48 -0.42 0.27 -0.73 0.00 0.00 179.01 179.44 2g54 n ASN 125 N -4.78 1.83 -0.25 1.04 2.04 -1.26 -3.98 115.26 109.90 2g54 n ASN 125 Ca 0.23 -3.80 -0.05 0.00 -0.44 0.00 0.00 54.58 50.52 2g54 n ASN 125 Cb 0.57 -0.52 0.06 0.00 -2.53 0.00 0.00 39.78 37.35 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 0.89 0.93 0.77 -3.83 4.57 -1.77 0.02 114.58 116.17 2g54 h GLU 126 Ca 0.01 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2g54 h GLU 126 Cb 1.03 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.42 2g54 h GLU 126 CO 0.02 0.62 -0.37 -0.92 -1.18 0.00 0.00 179.01 177.18 2g54 h TYR 127 N 0.96 -0.96 -0.63 0.92 5.03 -1.84 -1.24 116.97 119.20 2g54 h TYR 127 Ca 0.26 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.51 2g54 h TYR 127 Cb -0.11 0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 2g54 h TYR 127 CO -0.02 -0.59 0.24 0.66 -1.32 0.00 0.00 178.16 177.13 2g54 h SER 128 N -1.13 0.89 -0.94 -2.11 4.64 -1.86 -2.21 113.55 110.83 2g54 h SER 128 Ca -0.11 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2g54 h SER 128 Cb 0.81 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 2g54 h SER 128 CO 0.17 0.83 0.56 -0.61 -0.87 0.00 0.00 176.83 176.92 2g54 h GLN 129 N 0.90 1.28 -0.46 4.77 4.15 -1.01 -0.11 115.11 124.63 2g54 h GLN 129 Ca 0.21 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2g54 h GLN 129 Cb 0.23 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2g54 h GLN 129 CO -0.01 0.90 0.13 0.35 -1.93 0.00 0.00 178.83 178.27 2g54 h PHE 130 N 1.30 0.75 -0.08 3.99 3.57 -0.92 -1.62 116.94 123.92 2g54 h PHE 130 Ca 0.34 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2g54 h PHE 130 Cb -0.05 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 2g54 h PHE 130 CO 0.01 0.67 0.02 -0.07 -2.23 0.00 0.00 178.31 176.71 2g54 h LEU 131 N 0.60 0.11 -0.66 0.59 3.38 -1.03 -2.72 115.31 115.59 2g54 h LEU 131 Ca 0.15 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2g54 h LEU 131 Cb 0.28 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2g54 h LEU 131 CO -0.00 0.29 0.30 -1.28 0.09 0.00 0.00 178.44 177.83 2g54 h SER 132 N -0.06 0.36 0.38 -0.43 0.87 -0.92 0.46 113.55 114.22 2g54 h SER 132 Ca 0.03 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2g54 h SER 132 Cb 0.21 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2g54 h SER 132 CO -0.00 0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.89 2g54 n GLU 133 N -4.92 0.32 -1.85 2.24 1.02 -0.62 -3.16 120.64 113.68 2g54 n GLU 133 Ca 0.10 0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.24 2g54 n GLU 133 Cb 0.26 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.27 1.39 -2.45 -0.32 8.25 0.03 -4.58 115.22 116.27 2g54 n HIS 134 Ca 0.10 -1.80 -0.19 0.00 -0.26 0.00 0.00 57.72 55.57 2g54 n HIS 134 Cb 0.16 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.60 -0.68 -2.39 -1.41 0.00 -0.99 -1.10 120.51 113.34 2g54 n ALA 135 Ca 0.24 0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.57 2g54 n ALA 135 Cb 0.89 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.08 2.36 0.22 0.00 0.00 0.14 -4.25 107.32 103.71 2g54 s GLY 136 Ca 0.02 -1.25 -0.19 0.00 0.00 0.00 0.00 44.72 43.29 2g54 s GLY 136 CO 0.02 -1.94 0.59 -1.35 0.00 0.00 0.00 173.10 170.42 2g54 s SER 137 N -4.30 -0.30 0.11 1.64 1.04 -0.77 -4.13 113.70 106.99 2g54 s SER 137 Ca 0.34 -0.47 -0.24 0.00 0.48 0.00 0.00 55.95 56.06 2g54 s SER 137 Cb -0.02 0.63 0.07 0.00 0.10 0.00 0.00 66.02 66.79 2g54 s SER 137 CO 0.21 -1.13 0.60 -0.55 0.98 0.00 0.00 173.24 173.35 2g54 s SER 138 N -2.88 -0.57 0.27 7.02 0.15 -1.26 -1.16 113.70 115.28 2g54 s SER 138 Ca 0.09 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 56.73 2g54 s SER 138 Cb -0.02 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2g54 s SER 138 CO -0.01 -0.87 0.83 -3.20 1.20 0.00 0.00 173.24 171.19 2g54 n ASN 139 N -0.05 -1.88 -3.52 5.45 2.85 -0.89 -5.01 115.26 112.20 2g54 n ASN 139 Ca -0.17 -2.18 -0.09 0.00 -0.11 0.00 0.00 54.58 52.03 2g54 n ASN 139 Cb 0.63 3.11 -0.03 0.00 1.24 0.00 0.00 39.78 44.73 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 -1.98 -1.86 0.06 5.20 0.00 -1.26 -2.24 121.76 119.68 2g54 s ALA 140 Ca 0.18 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.27 2g54 s ALA 140 Cb -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 2g54 s ALA 140 CO 0.08 -0.60 0.04 -0.59 0.00 0.00 0.00 175.76 174.69 2g54 s PHE 141 N -2.66 0.36 -0.11 0.00 -0.71 -0.70 -5.00 117.98 109.16 2g54 s PHE 141 Ca 0.04 -0.82 0.01 0.00 -1.04 0.00 0.00 56.93 55.12 2g54 s PHE 141 Cb -0.01 -0.26 0.02 0.00 -1.21 0.00 0.00 43.02 41.56 2g54 s PHE 141 CO -0.06 -0.41 -0.14 0.99 -1.34 0.00 0.00 175.22 174.26 2g54 s THR 142 N -3.53 1.44 0.00 -4.49 2.01 -1.26 -1.24 115.64 108.56 2g54 s THR 142 Ca 0.03 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.44 2g54 s THR 142 Cb 0.05 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.23 2g54 s THR 142 CO -0.09 0.43 0.00 -1.54 -0.69 0.00 0.00 174.62 172.73 2g54 n SER 143 N 4.32 1.39 -0.08 3.53 3.41 0.80 -4.91 113.62 122.07 2g54 n SER 143 Ca -0.18 -0.87 -0.03 0.00 -0.26 0.00 0.00 58.87 57.53 2g54 n SER 143 Cb 0.51 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.77 -0.04 5.00 0.00 -1.93 -1.44 103.07 105.44 2g54 h GLY 144 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2g54 h GLY 144 CO 0.00 0.44 -0.02 1.18 0.00 0.00 0.00 176.54 178.14 2g54 n GLU 145 N -4.25 2.17 -3.83 4.80 1.02 -1.26 -1.46 120.64 117.83 2g54 n GLU 145 Ca 0.03 -1.53 -0.11 0.00 -0.02 0.00 0.00 57.16 55.52 2g54 n GLU 145 Cb 0.26 -1.00 -0.09 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.15 -0.01 -0.18 -0.32 3.76 -1.21 -1.56 115.29 114.62 2g54 s HIS 146 Ca 0.06 -0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 54.82 2g54 s HIS 146 Cb 0.05 -0.00 0.06 0.00 1.11 0.00 0.00 32.58 33.79 2g54 s HIS 146 CO 0.01 -0.38 0.06 0.99 -0.85 0.00 0.00 174.74 174.57 2g54 s THR 147 N -1.91 0.21 -0.19 1.30 2.01 -0.78 -0.14 115.64 116.14 2g54 s THR 147 Ca -0.10 -0.34 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 2g54 s THR 147 Cb -0.04 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 2g54 s THR 147 CO -0.00 -0.23 -0.04 0.21 -0.69 0.00 0.00 174.62 173.87 2g54 s ASN 148 N 2.00 4.57 -0.05 3.53 3.84 -0.38 -1.38 114.94 127.07 2g54 s ASN 148 Ca 0.01 -0.26 0.06 0.00 0.21 0.00 0.00 52.86 52.88 2g54 s ASN 148 Cb -0.16 -1.76 -0.01 0.00 -0.55 0.00 0.00 41.25 38.76 2g54 s ASN 148 CO -0.08 0.07 -0.23 -0.31 -2.79 0.00 0.00 177.10 173.76 2g54 s TYR 149 N 0.93 2.47 0.14 0.43 1.51 -0.49 -1.72 117.35 120.61 2g54 s TYR 149 Ca 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.28 2g54 s TYR 149 Cb -0.15 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.14 2g54 s TYR 149 CO 0.01 -0.15 0.42 1.52 -1.11 0.00 0.00 175.55 176.25 2g54 s TYR 150 N -0.27 -0.20 0.22 2.71 -0.85 -0.95 -0.78 117.35 117.24 2g54 s TYR 150 Ca -0.00 -0.12 -0.21 0.00 -0.52 0.00 0.00 57.07 56.22 2g54 s TYR 150 Cb -0.13 0.28 0.04 0.00 0.38 0.00 0.00 41.96 42.53 2g54 s TYR 150 CO 0.03 -0.73 0.65 -0.59 -1.52 0.00 0.00 175.55 173.39 2g54 s PHE 151 N -3.81 -0.32 0.17 -3.49 -0.12 -0.78 -2.10 117.98 107.52 2g54 s PHE 151 Ca 0.04 -0.02 0.02 0.00 -0.05 0.00 0.00 56.93 56.91 2g54 s PHE 151 Cb 0.01 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.98 2g54 s PHE 151 CO -0.11 -1.05 -0.00 0.16 -0.05 0.00 0.00 175.22 174.17 2g54 s ASP 152 N -2.85 1.20 0.00 1.98 3.84 -0.31 -2.41 116.67 118.13 2g54 s ASP 152 Ca 0.07 -1.16 -0.29 0.00 -0.00 0.00 0.00 52.55 51.17 2g54 s ASP 152 Cb -0.04 0.12 0.10 0.00 -1.38 0.00 0.00 42.92 41.72 2g54 s ASP 152 CO -0.02 -0.56 1.01 0.54 -0.00 0.00 0.00 175.17 176.14 2g54 s VAL 153 N -3.66 0.00 0.23 2.11 0.11 0.53 -1.85 120.40 117.87 2g54 s VAL 153 Ca 0.23 -0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 2g54 s VAL 153 Cb 0.06 -1.39 -0.14 0.00 -1.53 0.00 0.00 36.38 33.38 2g54 s VAL 153 CO 0.03 0.00 1.30 -0.24 -3.33 0.00 0.00 175.10 172.86 2g54 n SER 154 N -0.31 2.23 0.17 3.54 2.88 -0.26 0.67 113.62 122.54 2g54 n SER 154 Ca -0.06 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.81 2g54 n SER 154 Cb 0.61 -1.36 0.77 0.00 -0.75 0.00 0.00 64.21 63.48 2g54 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2g54 h HIS 155 N 3.70 0.00 0.00 0.66 2.07 -1.63 0.18 115.15 120.13 2g54 h HIS 155 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2g54 h HIS 155 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 2g54 h HIS 155 CO 0.55 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.80 2g54 n GLU 156 N -3.51 0.12 -1.25 5.12 1.02 -1.26 -3.81 120.64 117.07 2g54 n GLU 156 Ca 0.04 0.16 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 2g54 n GLU 156 Cb 0.53 -1.66 0.12 0.00 -0.02 0.00 0.00 31.44 30.41 2g54 n GLU 156 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2g54 n HIS 157 N -1.88 0.85 0.11 -0.32 8.25 0.05 -4.82 115.22 117.45 2g54 n HIS 157 Ca 0.05 -1.62 -0.13 0.00 -0.26 0.00 0.00 57.72 55.76 2g54 n HIS 157 Cb 0.34 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 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 1.43 -0.17 -0.22 2.41 6.46 -1.66 -2.39 115.31 121.17 2g54 h LEU 158 Ca 0.07 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 2g54 h LEU 158 Cb 1.28 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 2g54 h LEU 158 CO 0.24 -0.06 0.07 -0.08 -0.62 0.00 0.00 178.44 177.99 2g54 h GLU 159 N -0.27 0.17 -0.98 1.25 4.81 -1.91 0.44 114.58 118.09 2g54 h GLU 159 Ca -0.02 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2g54 h GLU 159 Cb 0.21 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 2g54 h GLU 159 CO 0.03 0.11 0.63 0.78 -0.73 0.00 0.00 179.01 179.83 2g54 h GLY 160 N 0.18 1.51 0.97 1.92 0.00 -1.91 0.94 103.07 106.68 2g54 h GLY 160 Ca 0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.79 2g54 h GLY 160 CO -0.10 0.29 -0.66 0.00 0.00 0.00 0.00 176.54 176.07 2g54 h ALA 161 N 1.46 0.19 -0.57 3.60 0.00 -0.84 -3.07 119.26 120.03 2g54 h ALA 161 Ca 0.44 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2g54 h ALA 161 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2g54 h ALA 161 CO -0.19 0.48 0.22 1.25 0.00 0.00 0.00 179.25 181.01 2g54 h LEU 162 N 0.21 0.76 0.18 0.00 6.46 0.35 -1.00 115.31 122.26 2g54 h LEU 162 Ca -0.06 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2g54 h LEU 162 Cb 1.32 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2g54 h LEU 162 CO 0.13 0.69 -0.08 -0.78 -0.62 0.00 0.00 178.44 177.78 2g54 h ASP 163 N 0.82 -0.20 -0.19 1.25 -0.00 -0.86 0.30 116.42 117.53 2g54 h ASP 163 Ca 0.19 -0.05 -0.05 0.00 -0.00 0.00 0.00 57.03 57.13 2g54 h ASP 163 Cb 0.18 0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.55 2g54 h ASP 163 CO -0.02 -0.08 -0.02 0.03 -0.00 0.00 0.00 179.24 179.16 2g54 h ARG 164 N -0.31 0.48 -0.15 0.28 3.08 -1.42 -2.93 114.38 113.41 2g54 h ARG 164 Ca -0.02 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2g54 h ARG 164 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2g54 h ARG 164 CO 0.04 0.52 -0.11 0.35 -1.07 0.00 0.00 179.97 179.70 2g54 h PHE 165 N 0.46 0.40 -0.14 3.04 3.04 -0.84 -3.15 116.94 119.75 2g54 h PHE 165 Ca 0.10 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 61.98 2g54 h PHE 165 Cb 0.33 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2g54 h PHE 165 CO 0.01 0.69 0.10 0.00 -2.02 0.00 0.00 178.31 177.10 2g54 h ALA 166 N 0.64 2.09 0.00 2.41 0.00 -0.24 -1.42 119.26 122.74 2g54 h ALA 166 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2g54 h ALA 166 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2g54 h ALA 166 CO 0.03 -0.17 -0.05 1.96 0.00 0.00 0.00 179.25 181.01 2g54 h GLN 167 N 0.00 0.00 -0.78 0.00 1.08 -1.49 -2.18 115.11 111.75 2g54 h GLN 167 Ca 0.07 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.38 2g54 h GLN 167 Cb 0.27 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 2g54 h GLN 167 CO -0.00 0.05 0.51 0.74 -0.95 0.00 0.00 178.83 179.18 2g54 h PHE 168 N 0.00 0.68 -0.67 2.96 -1.00 -1.38 -0.05 116.94 117.48 2g54 h PHE 168 Ca -0.00 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 2g54 h PHE 168 Cb 0.29 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.64 2g54 h PHE 168 CO 0.00 0.29 0.00 1.19 -1.61 0.00 0.00 178.31 178.18 2g54 n PHE 169 N -4.51 1.01 0.00 -0.55 3.72 -0.82 -4.29 117.46 112.03 2g54 n PHE 169 Ca 0.14 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2g54 n PHE 169 Cb 0.40 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 1.40 0.63 -2.92 4.37 4.77 -0.56 -4.85 117.00 119.84 2g54 n LEU 170 Ca 0.23 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 2g54 n LEU 170 Cb 0.65 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.77 2g54 n LEU 170 CO 0.17 0.04 0.04 0.00 -1.33 0.00 0.00 177.39 176.30 2g54 s PRO 172 N -1.44 2.87 -0.06 0.00 0.04 -1.24 -0.94 135.00 134.23 2g54 s PRO 172 Ca 0.31 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.26 2g54 s PRO 172 Cb 0.35 -1.96 -0.28 0.00 0.04 0.00 0.00 34.50 32.65 2g54 s PRO 172 CO -0.05 -1.32 0.60 -0.07 0.04 0.00 0.00 177.00 176.20 2g54 h LEU 173 N 0.89 0.44 -0.61 -3.56 3.38 -1.40 -3.44 115.31 111.02 2g54 h LEU 173 Ca -0.51 -0.77 -0.45 0.00 0.09 0.00 0.00 57.88 56.24 2g54 h LEU 173 Cb 1.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2g54 h LEU 173 CO 0.55 1.67 -0.71 0.49 0.09 0.00 0.00 178.44 180.53 2g54 n PHE 174 N -3.47 -2.35 -1.45 1.13 0.99 -1.26 -4.82 117.46 106.23 2g54 n PHE 174 Ca -0.25 0.85 -0.49 0.00 -0.00 0.00 0.00 57.45 57.57 2g54 n PHE 174 Cb 1.06 -4.14 -0.03 0.00 -1.00 0.00 0.00 39.48 35.36 2g54 n PHE 174 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2g54 n ASP 175 N -2.79 -0.51 -0.19 4.37 2.03 -1.26 -4.76 116.55 113.44 2g54 n ASP 175 Ca 0.02 1.14 -0.07 0.00 0.52 0.00 0.00 54.79 56.40 2g54 n ASP 175 Cb 0.54 -1.02 0.02 0.00 -0.72 0.00 0.00 41.12 39.94 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 1.53 0.78 -0.46 -0.67 4.57 -2.00 -1.09 114.58 117.25 2g54 h GLU 176 Ca -0.33 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 57.70 2g54 h GLU 176 Cb 1.42 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.84 2g54 h GLU 176 CO 0.59 0.64 0.17 1.03 -1.18 0.00 0.00 179.01 180.26 2g54 h SER 177 N 0.73 0.65 -0.35 1.04 0.87 -2.01 -2.13 113.55 112.35 2g54 h SER 177 Ca 0.19 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2g54 h SER 177 Cb 0.11 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2g54 h SER 177 CO -0.02 0.66 0.06 0.00 -0.53 0.00 0.00 176.83 176.99 2g54 h LYS 179 N 0.64 0.41 -0.17 0.00 3.64 -0.80 0.14 116.57 120.44 2g54 h LYS 179 Ca 0.14 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2g54 h LYS 179 Cb 0.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2g54 h LYS 179 CO 0.01 0.42 -0.11 -0.44 -2.27 0.00 0.00 179.45 177.06 2g54 h ASP 180 N 0.30 0.25 0.00 4.20 3.32 -1.22 -2.91 116.42 120.36 2g54 h ASP 180 Ca 0.09 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2g54 h ASP 180 Cb 0.17 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 2g54 h ASP 180 CO -0.01 0.39 -0.13 0.03 -1.72 0.00 0.00 179.24 177.81 2g54 h ARG 181 N 0.26 0.00 -0.23 3.56 3.08 -1.22 -3.37 114.38 116.46 2g54 h ARG 181 Ca 0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2g54 h ARG 181 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2g54 h ARG 181 CO 0.02 0.45 0.26 1.49 -1.07 0.00 0.00 179.97 181.12 2g54 h GLU 182 N -1.00 0.00 -0.41 0.04 4.57 -0.78 -0.32 114.58 116.68 2g54 h GLU 182 Ca -0.02 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.25 2g54 h GLU 182 Cb 0.51 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2g54 h GLU 182 CO -0.01 0.00 0.28 -0.24 -1.18 0.00 0.00 179.01 177.86 2g54 h VAL 183 N 0.00 0.86 -0.11 0.32 3.04 -1.67 0.72 116.25 119.41 2g54 h VAL 183 Ca 0.11 -0.04 -0.11 0.00 -1.01 0.00 0.00 66.70 65.65 2g54 h VAL 183 Cb 0.63 0.72 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2g54 h VAL 183 CO -0.00 0.02 -0.43 0.78 -1.01 0.00 0.00 177.57 176.94 2g54 h ASN 184 N 0.13 0.27 -0.49 3.17 4.21 -1.26 -1.89 115.58 119.71 2g54 h ASN 184 Ca 0.19 -0.12 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 2g54 h ASN 184 Cb 0.59 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 2g54 h ASN 184 CO -0.02 0.67 0.16 0.00 -1.29 0.00 0.00 177.43 176.94 2g54 h ALA 185 N 1.34 0.64 -0.51 -0.83 0.00 -0.99 0.82 119.26 119.74 2g54 h ALA 185 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2g54 h ALA 185 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2g54 h ALA 185 CO 0.07 0.29 0.13 0.28 0.00 0.00 0.00 179.25 180.01 2g54 h VAL 186 N 0.66 1.24 -0.82 0.00 2.07 -1.27 -0.41 116.25 117.71 2g54 h VAL 186 Ca 0.16 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2g54 h VAL 186 Cb 0.26 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2g54 h VAL 186 CO -0.01 0.31 0.38 -0.78 0.02 0.00 0.00 177.57 177.50 2g54 h ASP 187 N 0.71 1.08 -0.39 0.57 3.58 -1.08 -1.67 116.42 119.22 2g54 h ASP 187 Ca 0.16 -0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 2g54 h ASP 187 Cb 0.33 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2g54 h ASP 187 CO 0.00 0.92 -0.07 -1.28 -2.88 0.00 0.00 179.24 175.93 2g54 h SER 188 N 1.16 0.80 -0.68 2.28 0.87 -0.54 -0.62 113.55 116.83 2g54 h SER 188 Ca 0.28 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 2g54 h SER 188 Cb 0.13 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 2g54 h SER 188 CO -0.03 0.90 0.19 -0.08 -0.53 0.00 0.00 176.83 177.28 2g54 h GLU 189 N 0.74 1.06 -0.33 2.24 4.81 -0.60 -2.66 114.58 119.85 2g54 h GLU 189 Ca 0.13 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 2g54 h GLU 189 Cb 0.55 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2g54 h GLU 189 CO 0.03 0.93 -0.41 1.25 -0.73 0.00 0.00 179.01 180.09 2g54 h HIS 190 N 0.99 0.96 -0.71 0.92 2.76 -0.98 -3.11 115.15 115.99 2g54 h HIS 190 Ca 0.22 -0.29 0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2g54 h HIS 190 Cb 0.33 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 2g54 h HIS 190 CO 0.02 1.07 0.47 1.49 -1.30 0.00 0.00 177.93 179.68 2g54 h GLU 191 N 0.65 0.65 0.00 5.26 4.57 -0.82 -1.09 114.58 123.80 2g54 h GLU 191 Ca 0.05 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 2g54 h GLU 191 Cb 0.97 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 2g54 h GLU 191 CO 0.09 0.43 -0.57 1.57 -1.18 0.00 0.00 179.01 179.35 2g54 h LYS 192 N 0.67 0.00 0.00 1.92 2.10 -1.41 -3.12 116.57 116.73 2g54 h LYS 192 Ca 0.31 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.94 2g54 h LYS 192 Cb 0.36 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 2g54 h LYS 192 CO -0.11 0.57 -0.52 -0.91 -2.00 0.00 0.00 179.45 176.48 2g54 h ASN 193 N 0.00 0.00 -0.81 7.07 2.35 -1.30 -3.38 115.58 119.51 2g54 h ASN 193 Ca -0.01 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.93 2g54 h ASN 193 Cb 1.13 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.38 2g54 h ASN 193 CO 0.07 0.12 0.27 0.58 -1.65 0.00 0.00 177.43 176.82 2g54 h VAL 194 N 0.00 0.49 -0.55 2.81 2.07 -1.17 0.04 116.25 119.93 2g54 h VAL 194 Ca -0.01 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2g54 h VAL 194 Cb 1.11 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2g54 h VAL 194 CO 0.01 0.06 0.00 0.23 0.02 0.00 0.00 177.57 177.89 2g54 n MET 195 N -5.12 3.55 -3.34 1.57 2.81 -1.26 -4.82 117.12 110.51 2g54 n MET 195 Ca 0.18 -2.51 -0.39 0.00 -1.81 0.00 0.00 57.70 53.17 2g54 n MET 195 Cb 0.55 -1.88 -0.08 0.00 -0.71 0.00 0.00 33.22 31.10 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 -0.80 6.33 0.25 7.83 2.47 -0.00 -4.86 114.94 126.15 2g54 s ASN 196 Ca 0.45 0.38 -0.03 0.00 0.42 0.00 0.00 52.86 54.08 2g54 s ASN 196 Cb 0.30 -2.24 0.43 0.00 -1.45 0.00 0.00 41.25 38.29 2g54 s ASN 196 CO 0.20 -0.21 1.82 0.44 -3.72 0.00 0.00 177.10 175.63 2g54 h ASP 197 N 8.06 0.74 -0.01 -4.21 3.45 -1.90 -1.26 116.42 121.30 2g54 h ASP 197 Ca -0.31 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.20 2g54 h ASP 197 Cb 1.15 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.83 2g54 h ASP 197 CO 0.67 0.42 0.00 0.00 -1.57 0.00 0.00 179.24 178.76 2g54 h ALA 198 N 1.47 0.01 -0.53 3.45 0.00 -1.93 -1.34 119.26 120.39 2g54 h ALA 198 Ca 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2g54 h ALA 198 Cb 0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2g54 h ALA 198 CO -0.25 -0.46 0.17 -1.49 0.00 0.00 0.00 179.25 177.22 2g54 h TRP 199 N -0.05 0.80 -0.39 0.00 4.06 -1.74 -0.71 115.95 117.92 2g54 h TRP 199 Ca 0.00 -0.06 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 2g54 h TRP 199 Cb 0.06 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2g54 h TRP 199 CO -0.06 0.65 -0.01 0.00 -3.56 0.00 0.00 178.44 175.46 2g54 h ARG 200 N 0.77 0.70 -0.26 0.49 3.08 -1.02 -1.94 114.38 116.20 2g54 h ARG 200 Ca 0.18 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2g54 h ARG 200 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2g54 h ARG 200 CO -0.01 0.80 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.33 2g54 h LEU 201 N 0.53 0.53 -0.40 3.04 4.07 -1.03 0.07 115.31 122.12 2g54 h LEU 201 Ca 0.11 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 2g54 h LEU 201 Cb 0.49 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2g54 h LEU 201 CO 0.02 0.80 0.23 0.15 -1.08 0.00 0.00 178.44 178.57 2g54 h PHE 202 N 0.45 0.53 0.00 1.13 3.04 -0.88 -2.17 116.94 119.05 2g54 h PHE 202 Ca 0.06 -0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.84 2g54 h PHE 202 Cb 0.74 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2g54 h PHE 202 CO 0.03 0.39 -0.76 0.37 -2.02 0.00 0.00 178.31 176.31 2g54 h GLN 203 N 0.52 0.00 -0.40 1.11 5.75 -1.19 -3.21 115.11 117.69 2g54 h GLN 203 Ca 0.14 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 2g54 h GLN 203 Cb 0.02 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2g54 h GLN 203 CO -0.03 0.76 -0.03 1.25 -2.65 0.00 0.00 178.83 178.14 2g54 h LEU 204 N 0.00 0.61 -0.77 -2.39 5.85 -0.70 -1.29 115.31 116.62 2g54 h LEU 204 Ca -0.01 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.47 2g54 h LEU 204 Cb 1.44 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2g54 h LEU 204 CO 0.10 0.70 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.70 2g54 h GLU 205 N 0.61 0.80 -0.20 1.25 4.81 -1.40 -1.16 114.58 119.29 2g54 h GLU 205 Ca 0.12 -0.28 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 2g54 h GLU 205 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2g54 h GLU 205 CO 0.02 0.89 -0.43 0.87 -0.73 0.00 0.00 179.01 179.63 2g54 h LYS 206 N 0.72 0.49 0.00 1.92 1.57 -1.49 -2.90 116.57 116.87 2g54 h LYS 206 Ca 0.12 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2g54 h LYS 206 Cb 0.61 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2g54 h LYS 206 CO 0.04 0.83 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 2g54 h ALA 207 N 1.14 1.00 -0.19 3.86 0.00 -0.90 -3.14 119.26 121.03 2g54 h ALA 207 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2g54 h ALA 207 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2g54 h ALA 207 CO 0.08 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.96 2g54 n THR 208 N -2.42 0.24 -2.38 0.00 5.66 -0.47 -4.88 114.28 110.04 2g54 n THR 208 Ca 0.05 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 2g54 n THR 208 Cb 0.42 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 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 1.31 2.81 3.61 1.09 0.00 -1.19 -4.94 105.19 107.89 2g54 n GLY 209 Ca 0.17 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2g54 n GLY 209 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2g54 s ASN 210 N -0.73 5.95 0.62 1.61 2.47 -0.01 -4.85 114.94 120.00 2g54 s ASN 210 Ca 0.00 1.65 0.33 0.00 0.42 0.00 0.00 52.86 55.26 2g54 s ASN 210 Cb 0.00 -2.52 1.88 0.00 -1.45 0.00 0.00 41.25 39.16 2g54 s ASN 210 CO 0.00 -1.60 2.17 1.55 -3.72 0.00 0.00 177.10 175.50 2g54 h PRO 211 N 12.70 0.00 0.00 0.43 0.13 -1.89 -0.17 132.00 143.20 2g54 h PRO 211 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2g54 h PRO 211 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2g54 h PRO 211 CO 1.00 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.64 2g54 h LYS 212 N 0.00 0.00 -6.52 0.86 1.57 -1.99 -3.45 116.57 107.04 2g54 h LYS 212 Ca 0.04 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.29 2g54 h LYS 212 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2g54 h LYS 212 CO -0.00 0.00 0.41 -1.58 -0.57 0.00 0.00 179.45 177.71 2g54 s HIS 213 N -3.23 3.68 0.14 -1.35 2.46 -0.08 -4.91 115.29 112.00 2g54 s HIS 213 Ca 0.07 1.67 0.18 0.00 0.47 0.00 0.00 55.06 57.45 2g54 s HIS 213 Cb 0.05 -3.16 0.97 0.00 -0.13 0.00 0.00 32.58 30.31 2g54 s HIS 213 CO 0.66 -0.18 1.48 -1.00 -2.47 0.00 0.00 174.74 173.23 2g54 h PRO 214 N 6.06 0.00 0.00 2.88 0.13 -1.87 0.16 132.00 139.36 2g54 h PRO 214 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2g54 h PRO 214 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2g54 h PRO 214 CO 0.74 0.00 -0.03 0.35 -0.23 0.00 0.00 178.00 178.83 2g54 h PHE 215 N 0.00 0.00 0.00 1.56 3.04 -1.91 -1.47 116.94 118.16 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 0.55 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.06 2g54 h PHE 215 CO 0.00 0.03 0.00 -1.13 -2.02 0.00 0.00 178.31 175.19 2g54 n SER 216 N -3.30 0.00 -4.74 0.41 3.41 0.04 -4.70 113.62 104.75 2g54 n SER 216 Ca -0.02 0.49 -0.37 0.00 -0.26 0.00 0.00 58.87 58.72 2g54 n SER 216 Cb 0.17 -0.50 0.06 0.00 -0.26 0.00 0.00 64.21 63.68 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 2.68 -0.46 4.33 1.02 -0.56 -4.68 119.74 119.08 2g54 s LYS 217 Ca 0.14 2.00 -0.19 0.00 0.02 0.00 0.00 55.97 57.95 2g54 s LYS 217 Cb 0.18 -1.87 0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2g54 s LYS 217 CO 0.51 -1.49 0.55 0.12 -0.92 0.00 0.00 175.35 174.13 2g54 s PHE 218 N -1.44 3.11 0.11 3.18 5.36 -1.26 -4.96 117.98 122.07 2g54 s PHE 218 Ca 0.81 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 56.41 2g54 s PHE 218 Cb -0.36 -3.24 -0.22 0.00 -0.34 0.00 0.00 43.02 38.86 2g54 s PHE 218 CO 0.38 -0.86 1.24 0.78 -1.46 0.00 0.00 175.22 175.30 2g54 h GLY 219 N 9.41 0.10 0.87 13.12 0.00 -1.93 -3.16 103.07 121.48 2g54 h GLY 219 Ca -0.27 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2g54 h GLY 219 CO 0.88 0.22 -0.04 -0.84 0.00 0.00 0.00 176.54 176.76 2g54 h THR 220 N 0.03 1.00 -0.25 4.70 2.02 -1.92 -3.34 112.91 115.14 2g54 h THR 220 Ca -0.05 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.86 2g54 h THR 220 Cb 1.82 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 2g54 h THR 220 CO 0.15 0.07 -0.08 0.61 0.37 0.00 0.00 175.52 176.65 2g54 n GLY 221 N -0.77 -2.25 0.97 2.16 0.00 -1.26 -4.68 105.19 99.35 2g54 n GLY 221 Ca -0.08 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.46 -0.55 -0.23 1.61 0.23 -1.26 -4.65 115.26 107.95 2g54 n ASN 222 Ca -0.00 -1.44 -0.04 0.00 -0.53 0.00 0.00 54.58 52.56 2g54 n ASN 222 Cb 0.05 0.93 0.07 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.78 -0.03 -3.83 3.64 -1.90 0.12 116.57 115.34 2g54 h LYS 223 Ca -0.08 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2g54 h LYS 223 Cb 0.32 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2g54 h LYS 223 CO 0.11 0.52 -0.08 -0.92 -2.27 0.00 0.00 179.45 176.80 2g54 h TYR 224 N 0.80 -0.20 0.00 1.91 3.20 -1.96 0.39 116.97 121.11 2g54 h TYR 224 Ca 0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2g54 h TYR 224 Cb 0.01 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2g54 h TYR 224 CO -0.05 -0.13 0.00 1.79 -1.64 0.00 0.00 178.16 178.14 2g54 h THR 225 N -0.12 0.00 0.00 1.81 1.35 -1.82 0.43 112.91 114.55 2g54 h THR 225 Ca 0.04 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2g54 h THR 225 Cb 0.18 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2g54 h THR 225 CO -0.11 0.00 -1.26 0.18 -0.25 0.00 0.00 175.52 174.09 2g54 n LEU 226 N -2.86 0.30 0.00 3.87 4.32 0.39 -4.45 117.00 118.57 2g54 n LEU 226 Ca 0.04 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 2g54 n LEU 226 Cb 0.48 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 2g54 n LEU 226 CO 0.32 0.07 0.00 1.21 -1.22 0.00 0.00 177.39 177.78 2g54 n GLU 227 N -1.73 0.00 -0.02 3.23 2.13 0.13 -4.82 120.64 119.56 2g54 n GLU 227 Ca -0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2g54 n GLU 227 Cb 0.32 -0.01 -0.05 0.00 0.27 0.00 0.00 31.44 31.98 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 0.13 6.31 2.02 -1.35 -0.43 112.91 119.59 2g54 h THR 228 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2g54 h THR 228 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 2g54 h THR 228 CO 0.00 0.00 -0.53 0.03 0.37 0.00 0.00 175.52 175.39 2g54 h ARG 229 N -0.24 -0.74 -0.65 6.66 2.47 -0.38 -1.48 114.38 120.03 2g54 h ARG 229 Ca 0.02 0.05 0.13 0.00 -1.26 0.00 0.00 59.98 58.92 2g54 h ARG 229 Cb 0.30 0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 2g54 h ARG 229 CO -0.22 -0.49 0.44 -1.00 0.56 0.00 0.00 179.97 179.25 2g54 h PRO 230 N -0.77 0.32 0.12 0.04 0.13 -1.74 -2.04 132.00 128.05 2g54 h PRO 230 Ca -0.01 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2g54 h PRO 230 Cb 0.77 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2g54 h PRO 230 CO -0.28 0.21 -0.06 -0.91 -0.23 0.00 0.00 178.00 176.73 2g54 h ASN 231 N 0.33 -0.13 0.00 1.44 -0.26 -0.36 0.26 115.58 116.86 2g54 h ASN 231 Ca 0.31 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2g54 h ASN 231 Cb 0.77 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 2g54 h ASN 231 CO -0.08 0.10 0.00 0.00 -1.06 0.00 0.00 177.43 176.39 2g54 n GLN 232 N -5.06 0.72 -0.46 0.81 10.64 -0.62 -1.78 117.38 121.63 2g54 n GLN 232 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2g54 n GLN 232 Cb 0.17 -1.36 0.01 0.00 -0.86 0.00 0.00 30.24 28.20 2g54 n GLN 232 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2g54 n GLU 233 N 0.15 0.06 -2.76 2.61 1.02 -0.86 -5.01 120.64 115.84 2g54 n GLU 233 Ca 0.00 -1.04 -0.19 0.00 -0.02 0.00 0.00 57.16 55.91 2g54 n GLU 233 Cb 0.18 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 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 -0.06 -0.50 3.76 0.62 0.00 -0.74 -4.96 105.19 103.31 2g54 n GLY 234 Ca 0.01 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.90 5.35 -0.70 -0.61 1.01 0.86 -5.03 121.20 119.18 2g54 s ILE 235 Ca 0.16 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 2g54 s ILE 235 Cb -0.08 -3.55 0.16 0.00 0.01 0.00 0.00 42.46 39.01 2g54 s ILE 235 CO 0.19 0.46 0.70 -0.62 0.00 0.00 0.00 174.94 175.67 2g54 s ASP 236 N 0.08 6.46 0.32 3.58 -1.08 -1.26 -4.41 116.67 120.35 2g54 s ASP 236 Ca 0.14 -2.13 0.08 0.00 -0.52 0.00 0.00 52.55 50.12 2g54 s ASP 236 Cb -0.12 -2.24 0.81 0.00 -1.46 0.00 0.00 42.92 39.90 2g54 s ASP 236 CO 0.03 -0.80 1.76 0.58 0.52 0.00 0.00 175.17 177.26 2g54 h VAL 237 N 5.43 0.65 -0.38 1.11 2.07 -1.94 0.14 116.25 123.33 2g54 h VAL 237 Ca -0.09 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.27 2g54 h VAL 237 Cb 1.07 -0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 2g54 h VAL 237 CO 0.94 0.13 -0.13 -0.09 0.02 0.00 0.00 177.57 178.43 2g54 h ARG 238 N 0.69 -0.05 -0.64 1.57 1.12 -1.91 0.26 114.38 115.42 2g54 h ARG 238 Ca 0.60 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 59.40 2g54 h ARG 238 Cb 1.03 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.98 2g54 h ARG 238 CO -0.40 -0.03 0.11 1.96 -3.11 0.00 0.00 179.97 178.50 2g54 h GLN 239 N -0.05 1.03 -0.55 0.20 1.08 -1.17 -1.50 115.11 114.15 2g54 h GLN 239 Ca 0.19 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2g54 h GLN 239 Cb 0.34 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 2g54 h GLN 239 CO -0.42 0.94 0.22 0.93 -0.95 0.00 0.00 178.83 179.55 2g54 h GLU 240 N 0.97 0.83 -0.63 1.46 4.39 -0.06 0.17 114.58 121.71 2g54 h GLU 240 Ca 0.20 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2g54 h GLU 240 Cb 0.40 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2g54 h GLU 240 CO 0.01 0.72 0.34 -0.07 -1.16 0.00 0.00 179.01 178.85 2g54 h LEU 241 N 0.76 0.79 -0.90 1.33 3.38 -0.32 0.21 115.31 120.54 2g54 h LEU 241 Ca 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2g54 h LEU 241 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2g54 h LEU 241 CO -0.01 0.66 0.34 -0.07 0.09 0.00 0.00 178.44 179.44 2g54 h LEU 242 N 0.85 1.04 -0.05 1.67 -0.00 -0.74 -0.67 115.31 117.41 2g54 h LEU 242 Ca 0.22 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2g54 h LEU 242 Cb 0.05 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2g54 h LEU 242 CO -0.03 0.90 -0.06 0.11 -0.00 0.00 0.00 178.44 179.35 2g54 h LYS 243 N 1.12 0.13 -0.03 1.13 1.57 -0.09 -1.00 116.57 119.40 2g54 h LYS 243 Ca 0.26 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2g54 h LYS 243 Cb 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2g54 h LYS 243 CO -0.03 0.60 -0.12 0.35 -0.57 0.00 0.00 179.45 179.68 2g54 h PHE 244 N -0.33 -0.29 -0.47 -1.35 3.57 -0.52 0.42 116.94 117.98 2g54 h PHE 244 Ca 0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2g54 h PHE 244 Cb 0.58 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 2g54 h PHE 244 CO 0.10 -0.18 0.31 1.25 -2.23 0.00 0.00 178.31 177.56 2g54 h HIS 245 N -0.18 0.58 -0.38 0.41 2.76 -1.16 0.18 115.15 117.36 2g54 h HIS 245 Ca 0.05 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 2g54 h HIS 245 Cb 0.25 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2g54 h HIS 245 CO -0.19 0.36 -0.06 1.03 -1.30 0.00 0.00 177.93 177.76 2g54 h SER 246 N 0.62 0.61 0.34 3.26 0.87 -0.77 -0.37 113.55 118.11 2g54 h SER 246 Ca 0.17 -0.15 -0.33 0.00 -1.23 0.00 0.00 61.79 60.25 2g54 h SER 246 Cb -0.06 -0.16 0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2g54 h SER 246 CO -0.04 0.73 -1.44 0.00 -0.53 0.00 0.00 176.83 175.54 2g54 h ALA 247 N 1.34 -0.10 0.00 6.23 0.00 0.36 -3.41 119.26 123.68 2g54 h ALA 247 Ca 0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 54.11 2g54 h ALA 247 Cb 0.47 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2g54 h ALA 247 CO 0.02 0.76 -1.74 0.66 0.00 0.00 0.00 179.25 178.95 2g54 n TYR 248 N -3.67 0.00 -1.84 0.00 4.02 0.60 -4.69 117.16 111.58 2g54 n TYR 248 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.32 2g54 n TYR 248 Cb 1.09 -0.40 -0.00 0.00 -0.02 0.00 0.00 39.34 40.00 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 -2.11 3.08 -4.03 -0.72 4.01 -0.15 -4.91 117.16 112.34 2g54 n TYR 249 Ca -0.06 -2.93 -0.36 0.00 -0.16 0.00 0.00 57.90 54.39 2g54 n TYR 249 Cb 0.48 -2.32 -0.07 0.00 -0.31 0.00 0.00 39.34 37.13 2g54 n TYR 249 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2g54 s SER 250 N 2.12 6.02 0.47 7.72 0.15 -1.26 -4.85 113.70 124.06 2g54 s SER 250 Ca 0.50 0.34 0.19 0.00 0.70 0.00 0.00 55.95 57.67 2g54 s SER 250 Cb 0.14 -1.87 1.17 0.00 -1.71 0.00 0.00 66.02 63.76 2g54 s SER 250 CO -0.06 0.37 1.96 0.77 1.20 0.00 0.00 173.24 177.48 2g54 h SER 251 N 4.79 0.24 0.38 5.45 4.64 -1.68 -1.03 113.55 126.33 2g54 h SER 251 Ca -0.53 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2g54 h SER 251 Cb 1.21 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2g54 h SER 251 CO 0.59 0.13 0.00 -0.55 -0.87 0.00 0.00 176.83 176.13 2g54 h ASN 252 N 0.26 0.00 -0.32 4.97 -1.07 -1.77 -1.42 115.58 116.23 2g54 h ASN 252 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.67 2g54 h ASN 252 Cb 0.82 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.07 2g54 h ASN 252 CO -0.07 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.61 2g54 n LEU 253 N -2.66 3.92 -4.54 6.14 4.77 -0.39 -4.86 117.00 119.38 2g54 n LEU 253 Ca -0.01 -2.80 -0.31 0.00 -0.03 0.00 0.00 56.01 52.86 2g54 n LEU 253 Cb 0.14 -0.50 -0.11 0.00 -2.33 0.00 0.00 43.42 40.62 2g54 n LEU 253 CO 0.18 0.69 -0.44 -0.04 -1.33 0.00 0.00 177.39 176.46 2g54 s MET 254 N -2.44 2.27 -0.03 3.23 -1.94 -0.54 -0.82 119.30 119.03 2g54 s MET 254 Ca 0.40 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.51 2g54 s MET 254 Cb 0.31 -2.33 0.01 0.00 2.01 0.00 0.00 34.83 34.82 2g54 s MET 254 CO 0.11 0.56 -0.07 0.00 -0.01 0.00 0.00 175.02 175.61 2g54 s ALA 255 N -1.01 0.75 0.07 3.03 0.00 -0.81 -1.96 121.76 121.83 2g54 s ALA 255 Ca 0.17 -0.26 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2g54 s ALA 255 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2g54 s ALA 255 CO 0.08 0.11 -0.14 0.08 0.00 0.00 0.00 175.76 175.89 2g54 s VAL 256 N 0.28 1.08 -0.02 0.00 1.01 0.90 -0.68 120.40 122.97 2g54 s VAL 256 Ca -0.04 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 2g54 s VAL 256 Cb -0.09 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.29 2g54 s VAL 256 CO 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 175.10 174.92 2g54 s VAL 258 N 1.12 1.16 -0.08 0.00 1.01 -0.78 -1.66 120.40 121.17 2g54 s VAL 258 Ca -0.08 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2g54 s VAL 258 Cb -0.13 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2g54 s VAL 258 CO -0.03 0.34 -0.14 -0.22 0.00 0.00 0.00 175.10 175.05 2g54 s LEU 259 N 0.02 1.71 0.33 3.92 0.20 0.71 -0.15 118.68 125.42 2g54 s LEU 259 Ca -0.02 -0.36 -0.18 0.00 0.69 0.00 0.00 54.13 54.26 2g54 s LEU 259 Cb -0.09 -0.97 0.05 0.00 -0.43 0.00 0.00 46.19 44.74 2g54 s LEU 259 CO 0.01 0.04 0.80 -0.83 -0.29 0.00 0.00 176.35 176.08 2g54 s GLY 260 N 0.72 0.20 0.44 7.98 0.00 -0.51 -1.29 107.32 114.86 2g54 s GLY 260 Ca -0.13 -0.57 0.24 0.00 0.00 0.00 0.00 44.72 44.27 2g54 s GLY 260 CO 0.03 -0.01 1.71 3.21 0.00 0.00 0.00 173.10 178.04 2g54 h ARG 261 N 2.00 0.00 -7.06 2.90 3.08 -1.87 0.34 114.38 113.77 2g54 h ARG 261 Ca -0.28 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.22 2g54 h ARG 261 Cb 1.25 0.00 0.17 0.00 0.08 0.00 0.00 29.97 31.47 2g54 h ARG 261 CO 0.35 0.13 0.28 0.39 -1.07 0.00 0.00 179.97 180.05 2g54 n GLU 262 N -3.18 0.59 -0.90 0.04 4.71 -1.26 -4.21 120.64 116.43 2g54 n GLU 262 Ca 0.02 0.26 -0.30 0.00 -0.01 0.00 0.00 57.16 57.13 2g54 n GLU 262 Cb 0.49 -2.37 0.16 0.00 -1.01 0.00 0.00 31.44 28.72 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 -1.69 2.95 0.41 1.62 1.04 -1.26 -4.63 113.70 112.13 2g54 s SER 263 Ca 0.76 1.81 0.07 0.00 0.48 0.00 0.00 55.95 59.08 2g54 s SER 263 Cb -0.34 -2.41 0.85 0.00 0.10 0.00 0.00 66.02 64.22 2g54 s SER 263 CO 0.48 -3.02 2.04 -0.07 0.98 0.00 0.00 173.24 173.65 2g54 h LEU 264 N -1.81 0.45 -0.26 2.42 3.38 -1.95 -0.52 115.31 117.02 2g54 h LEU 264 Ca -0.48 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 2g54 h LEU 264 Cb 1.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2g54 h LEU 264 CO 0.48 0.35 -0.16 0.44 0.09 0.00 0.00 178.44 179.65 2g54 h ASP 265 N 0.52 0.59 -0.77 -0.43 3.32 -1.99 -1.11 116.42 116.55 2g54 h ASP 265 Ca 0.14 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2g54 h ASP 265 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2g54 h ASP 265 CO -0.03 0.89 0.26 0.44 -1.72 0.00 0.00 179.24 179.08 2g54 h ASP 266 N 0.29 1.10 -0.77 6.45 3.32 -1.79 -1.78 116.42 123.24 2g54 h ASP 266 Ca 0.05 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2g54 h ASP 266 Cb 0.68 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2g54 h ASP 266 CO 0.04 1.00 0.30 -0.07 -1.72 0.00 0.00 179.24 178.79 2g54 h LEU 267 N 1.14 1.08 0.05 1.55 3.38 -1.04 -1.16 115.31 120.30 2g54 h LEU 267 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2g54 h LEU 267 Cb 0.28 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2g54 h LEU 267 CO -0.01 0.96 -0.02 0.74 0.09 0.00 0.00 178.44 180.20 2g54 h THR 268 N 1.13 0.96 -0.71 0.22 2.02 -0.70 -1.06 112.91 114.77 2g54 h THR 268 Ca 0.26 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2g54 h THR 268 Cb 0.23 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 2g54 h THR 268 CO -0.02 0.00 0.38 0.78 0.37 0.00 0.00 175.52 177.04 2g54 h ASN 269 N -0.06 0.88 0.43 4.18 2.35 -1.16 -0.94 115.58 121.25 2g54 h ASN 269 Ca -0.01 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2g54 h ASN 269 Cb 0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 2g54 h ASN 269 CO 0.01 0.71 -0.24 0.25 -1.65 0.00 0.00 177.43 176.51 2g54 h LEU 270 N 0.99 -0.59 -0.80 1.61 6.46 -0.81 0.11 115.31 122.27 2g54 h LEU 270 Ca 0.25 0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.97 2g54 h LEU 270 Cb 0.03 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 2g54 h LEU 270 CO -0.04 -0.39 0.14 0.58 -0.62 0.00 0.00 178.44 178.11 2g54 h VAL 271 N -0.63 1.25 -0.15 1.05 2.07 -1.00 -2.00 116.25 116.84 2g54 h VAL 271 Ca -0.05 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2g54 h VAL 271 Cb 0.50 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2g54 h VAL 271 CO 0.07 0.36 0.09 0.58 0.02 0.00 0.00 177.57 178.69 2g54 h VAL 272 N 0.99 1.08 -0.12 2.57 2.07 -1.05 0.41 116.25 122.20 2g54 h VAL 272 Ca 0.20 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2g54 h VAL 272 Cb 0.38 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2g54 h VAL 272 CO 0.00 0.08 0.00 0.50 0.02 0.00 0.00 177.57 178.17 2g54 h LYS 273 N 0.16 0.17 0.00 1.57 3.64 -0.68 -2.02 116.57 119.41 2g54 h LYS 273 Ca 0.05 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2g54 h LYS 273 Cb 0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2g54 h LYS 273 CO -0.01 0.19 -2.05 1.28 -2.27 0.00 0.00 179.45 176.59 2g54 n LEU 274 N -4.43 0.08 -0.00 5.20 4.77 -0.78 -4.66 117.00 117.18 2g54 n LEU 274 Ca -0.01 0.03 0.03 0.00 -0.03 0.00 0.00 56.01 56.03 2g54 n LEU 274 Cb 0.15 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2g54 n LEU 274 CO 0.36 0.16 -0.25 0.49 -1.33 0.00 0.00 177.39 176.82 2g54 n PHE 275 N -2.47 0.00 0.25 -1.77 3.01 0.11 -4.60 117.46 112.00 2g54 n PHE 275 Ca -0.13 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.46 2g54 n PHE 275 Cb 0.77 -0.06 0.66 0.00 -0.01 0.00 0.00 39.48 40.84 2g54 n PHE 275 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2g54 h SER 276 N 0.00 0.00 0.36 4.37 4.64 -1.48 -1.70 113.55 119.74 2g54 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g54 h SER 276 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2g54 h SER 276 CO 0.00 0.00 -0.19 -1.84 -0.87 0.00 0.00 176.83 173.93 2g54 n GLU 277 N -2.42 0.66 -1.91 4.77 0.28 -1.26 -4.80 120.64 115.95 2g54 n GLU 277 Ca -0.01 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.28 2g54 n GLU 277 Cb 0.11 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.46 2g54 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2g54 s VAL 278 N -2.55 2.52 0.16 3.84 1.01 -0.64 -4.93 120.40 119.81 2g54 s VAL 278 Ca 0.25 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 2g54 s VAL 278 Cb 0.19 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 2g54 s VAL 278 CO 0.51 0.04 1.06 -0.70 0.00 0.00 0.00 175.10 176.01 2g54 s GLU 279 N 0.74 4.63 -0.38 2.72 2.12 -1.26 -4.70 118.70 122.58 2g54 s GLU 279 Ca 0.68 1.64 -0.17 0.00 0.36 0.00 0.00 54.97 57.48 2g54 s GLU 279 Cb -0.44 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2g54 s GLU 279 CO 0.35 0.13 0.45 1.21 -0.54 0.00 0.00 175.26 176.86 2g54 s ASN 280 N -0.13 6.23 -0.08 -1.70 2.47 -1.26 -2.15 114.94 118.31 2g54 s ASN 280 Ca 0.48 -0.33 0.17 0.00 0.42 0.00 0.00 52.86 53.60 2g54 s ASN 280 Cb -0.28 -2.23 0.58 0.00 -1.45 0.00 0.00 41.25 37.87 2g54 s ASN 280 CO 0.33 -0.49 1.49 0.29 -3.72 0.00 0.00 177.10 175.01 2g54 n LYS 281 N 5.61 3.28 -4.18 0.43 5.02 -1.26 -4.97 118.16 122.09 2g54 n LYS 281 Ca -0.07 -2.64 -0.29 0.00 -2.02 0.00 0.00 58.31 53.28 2g54 n LYS 281 Cb 0.48 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 2g54 n LYS 281 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2g54 n ASN 282 N 0.76 0.37 -4.73 4.39 3.02 -1.26 -4.89 115.26 112.93 2g54 n ASN 282 Ca 0.21 -1.18 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 2g54 n ASN 282 Cb 0.74 -2.12 -0.03 0.00 -0.61 0.00 0.00 39.78 37.76 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 -4.22 3.71 0.32 2.41 1.01 -1.26 -4.99 120.40 117.38 2g54 s VAL 283 Ca 0.01 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 2g54 s VAL 283 Cb -0.01 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 2g54 s VAL 283 CO 0.96 0.20 1.30 -2.84 0.00 0.00 0.00 175.10 174.72 2g54 s PRO 284 N 0.04 4.37 -0.12 2.72 0.02 -1.26 -4.88 135.00 135.89 2g54 s PRO 284 Ca 0.54 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 2g54 s PRO 284 Cb -0.32 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 2g54 s PRO 284 CO 0.35 -0.17 1.39 -1.17 -0.33 0.00 0.00 177.00 177.07 2g54 s LEU 285 N -1.66 4.23 0.28 -5.54 0.20 -1.26 -4.95 118.68 109.98 2g54 s LEU 285 Ca 0.49 1.88 -0.30 0.00 0.69 0.00 0.00 54.13 56.89 2g54 s LEU 285 Cb -0.39 -3.54 -0.13 0.00 -0.43 0.00 0.00 46.19 41.70 2g54 s LEU 285 CO 0.51 -0.81 1.40 -2.65 -0.29 0.00 0.00 176.35 174.51 2g54 n PRO 286 N 6.70 2.17 -4.16 0.98 -0.02 -1.26 -5.00 135.00 134.40 2g54 n PRO 286 Ca 0.15 0.77 -0.17 0.00 -2.02 0.00 0.00 63.50 62.23 2g54 n PRO 286 Cb 0.44 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.38 2g54 n PRO 286 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2g54 s GLU 287 N -0.88 0.72 -0.46 -0.52 2.12 -1.26 -4.82 118.70 113.59 2g54 s GLU 287 Ca 0.63 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 55.23 2g54 s GLU 287 Cb -0.60 -0.64 0.26 0.00 0.26 0.00 0.00 34.13 33.41 2g54 s GLU 287 CO 0.53 0.14 0.62 1.19 -0.54 0.00 0.00 175.26 177.20 2g54 n PHE 288 N 1.54 0.90 -0.10 5.30 3.72 0.45 -4.96 117.46 124.31 2g54 n PHE 288 Ca -0.21 -3.76 0.04 0.00 -0.05 0.00 0.00 57.45 53.48 2g54 n PHE 288 Cb 0.55 -0.42 0.37 0.00 -0.94 0.00 0.00 39.48 39.04 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 3.91 0.67 -5.99 -1.08 0.13 -1.80 -3.34 132.00 124.50 2g54 h PRO 289 Ca 0.11 -0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.62 2g54 h PRO 289 Cb 0.82 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.73 2g54 h PRO 289 CO 0.58 0.45 0.41 -2.00 -0.23 0.00 0.00 178.00 177.20 2g54 s GLU 290 N -5.61 4.32 0.25 0.86 2.12 -1.26 -4.80 118.70 114.58 2g54 s GLU 290 Ca -0.09 1.07 -0.30 0.00 0.36 0.00 0.00 54.97 56.01 2g54 s GLU 290 Cb 0.18 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.91 2g54 s GLU 290 CO 0.75 -0.32 1.31 -1.58 -0.54 0.00 0.00 175.26 174.89 2g54 s HIS 291 N 2.10 3.18 0.60 5.30 5.65 -1.26 -4.91 115.29 125.96 2g54 s HIS 291 Ca 0.40 1.29 0.30 0.00 0.25 0.00 0.00 55.06 57.30 2g54 s HIS 291 Cb -0.17 -3.63 1.72 0.00 -1.18 0.00 0.00 32.58 29.32 2g54 s HIS 291 CO 0.13 -1.89 2.11 -1.35 -0.65 0.00 0.00 174.74 173.09 2g54 h PRO 292 N 4.59 0.00 -4.32 2.88 0.11 -1.95 -3.36 132.00 129.96 2g54 h PRO 292 Ca -0.46 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.92 2g54 h PRO 292 Cb 1.22 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.07 2g54 h PRO 292 CO 0.73 0.00 -0.37 -0.06 -0.21 0.00 0.00 178.00 178.09 2g54 s PHE 293 N -4.55 3.31 0.28 0.65 0.08 -1.26 -0.83 117.98 115.66 2g54 s PHE 293 Ca -0.05 -1.38 0.01 0.00 0.12 0.00 0.00 56.93 55.64 2g54 s PHE 293 Cb 0.14 -3.25 0.05 0.00 -0.57 0.00 0.00 43.02 39.39 2g54 s PHE 293 CO 0.51 -0.89 0.38 1.04 -0.10 0.00 0.00 175.22 176.17 2g54 n GLN 294 N 5.05 0.48 -0.13 0.44 1.13 -1.26 -4.91 117.38 118.18 2g54 n GLN 294 Ca -0.11 -1.15 -0.05 0.00 -1.94 0.00 0.00 57.00 53.75 2g54 n GLN 294 Cb 0.42 -0.22 0.01 0.00 0.11 0.00 0.00 30.24 30.57 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 -0.12 0.00 -1.09 4.57 -1.96 0.37 114.58 116.34 2g54 h GLU 295 Ca -0.13 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2g54 h GLU 295 Cb 0.50 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 2g54 h GLU 295 CO 0.15 -0.08 0.00 -0.85 -1.18 0.00 0.00 179.01 177.04 2g54 n GLU 296 N -5.39 0.06 0.00 1.92 0.00 -1.26 -1.19 120.64 114.78 2g54 n GLU 296 Ca 0.03 0.48 0.12 0.00 0.00 0.00 0.00 57.16 57.79 2g54 n GLU 296 Cb 0.31 -1.67 0.13 0.00 0.00 0.00 0.00 31.44 30.21 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 -1.80 0.00 -3.59 -1.84 8.25 0.10 -4.95 115.22 111.40 2g54 n HIS 297 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2g54 n HIS 297 Cb 0.07 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 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 -2.03 3.80 -1.37 2.41 1.43 -0.33 -4.47 118.68 118.11 2g54 s LEU 298 Ca 0.28 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2g54 s LEU 298 Cb 0.20 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.92 2g54 s LEU 298 CO 0.32 -0.42 0.82 0.29 0.23 0.00 0.00 176.35 177.60 2g54 n LYS 299 N -1.54 -5.34 -4.82 1.70 5.02 0.90 -4.96 118.16 109.12 2g54 n LYS 299 Ca -0.00 0.63 -0.27 0.00 -2.02 0.00 0.00 58.31 56.65 2g54 n LYS 299 Cb 0.59 -5.34 -0.15 0.00 -0.02 0.00 0.00 35.03 30.11 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 -6.17 1.60 -0.04 1.97 -1.52 -1.23 -2.25 119.66 112.02 2g54 s GLN 300 Ca 0.23 -0.96 0.06 0.00 -1.95 0.00 0.00 55.36 52.75 2g54 s GLN 300 Cb -0.12 -1.69 -0.02 0.00 -0.22 0.00 0.00 33.01 30.96 2g54 s GLN 300 CO 0.81 0.44 -0.22 -1.17 -0.25 0.00 0.00 175.29 174.90 2g54 s LEU 301 N -1.05 2.28 -0.06 2.90 2.96 0.19 -1.37 118.68 124.53 2g54 s LEU 301 Ca 0.09 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2g54 s LEU 301 Cb -0.09 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.18 2g54 s LEU 301 CO 0.01 0.30 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.89 2g54 s TYR 302 N -0.47 1.54 -0.28 5.38 1.51 0.47 -0.57 117.35 124.92 2g54 s TYR 302 Ca 0.06 -0.52 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2g54 s TYR 302 Cb -0.11 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2g54 s TYR 302 CO 0.01 -0.23 0.04 0.15 -1.11 0.00 0.00 175.55 174.40 2g54 s LYS 303 N 0.41 2.95 0.04 -0.62 1.02 0.07 -0.13 119.74 123.49 2g54 s LYS 303 Ca -0.11 -0.93 0.05 0.00 0.02 0.00 0.00 55.97 55.00 2g54 s LYS 303 Cb -0.14 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2g54 s LYS 303 CO 0.03 -0.45 -0.10 0.42 -0.92 0.00 0.00 175.35 174.33 2g54 s ILE 304 N 1.43 3.38 -0.32 2.17 1.09 0.69 -1.00 121.20 128.64 2g54 s ILE 304 Ca 0.01 -1.00 -0.11 0.00 -1.10 0.00 0.00 60.65 58.45 2g54 s ILE 304 Cb -0.17 -2.49 -0.02 0.00 -1.06 0.00 0.00 42.46 38.72 2g54 s ILE 304 CO 0.00 0.30 0.20 -0.69 -0.10 0.00 0.00 174.94 174.66 2g54 s VAL 305 N -1.04 5.07 0.72 2.92 1.01 -0.60 -1.34 120.40 127.15 2g54 s VAL 305 Ca 0.18 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 2g54 s VAL 305 Cb -0.11 -3.55 0.06 0.00 0.00 0.00 0.00 36.38 32.78 2g54 s VAL 305 CO 0.09 0.07 1.05 -2.16 0.00 0.00 0.00 175.10 174.16 2g54 s PRO 306 N 1.70 2.22 -0.15 2.72 0.04 -1.26 -4.53 135.00 135.74 2g54 s PRO 306 Ca 0.06 -0.10 -0.20 0.00 0.04 0.00 0.00 61.00 60.80 2g54 s PRO 306 Cb -0.17 -2.11 -0.17 0.00 0.04 0.00 0.00 34.50 32.09 2g54 s PRO 306 CO 0.09 -1.28 0.38 0.82 0.04 0.00 0.00 177.00 177.05 2g54 h ILE 307 N -0.69 1.06 -4.51 0.56 1.08 -1.97 -3.47 117.51 109.56 2g54 h ILE 307 Ca -0.45 -1.93 -0.49 0.00 -0.39 0.00 0.00 64.86 61.61 2g54 h ILE 307 Cb 1.31 2.13 0.08 0.00 -3.07 0.00 0.00 36.82 37.28 2g54 h ILE 307 CO 0.62 0.36 0.41 -0.54 -0.69 0.00 0.00 178.15 178.31 2g54 s LYS 308 N -2.15 2.61 -1.08 2.37 1.02 -1.26 -4.95 119.74 116.30 2g54 s LYS 308 Ca -0.18 0.37 -0.18 0.00 0.02 0.00 0.00 55.97 56.00 2g54 s LYS 308 Cb 0.00 -2.00 0.12 0.00 -0.52 0.00 0.00 37.83 35.44 2g54 s LYS 308 CO 0.49 -1.19 1.36 0.34 -0.92 0.00 0.00 175.35 175.43 2g54 s ASP 309 N -4.41 6.77 0.16 2.83 2.15 -1.26 -4.88 116.67 118.03 2g54 s ASP 309 Ca 0.59 -2.30 0.08 0.00 0.43 0.00 0.00 52.55 51.35 2g54 s ASP 309 Cb -0.11 -2.45 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2g54 s ASP 309 CO 0.51 -1.05 -0.17 0.27 -0.17 0.00 0.00 175.17 174.56 2g54 s ILE 310 N 2.93 1.69 -0.23 4.11 -4.36 -1.26 -4.90 121.20 119.17 2g54 s ILE 310 Ca 0.41 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2g54 s ILE 310 Cb -0.02 -1.78 0.06 0.00 1.25 0.00 0.00 42.46 41.97 2g54 s ILE 310 CO -0.04 -0.36 -0.02 -0.13 0.24 0.00 0.00 174.94 174.63 2g54 s ARG 311 N -2.82 1.29 0.03 0.37 0.52 -1.25 -4.04 118.95 113.05 2g54 s ARG 311 Ca 0.14 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2g54 s ARG 311 Cb -0.05 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 2g54 s ARG 311 CO 0.06 -0.64 -0.06 -0.80 0.02 0.00 0.00 175.30 173.88 2g54 s ASN 312 N 1.53 0.60 -0.16 0.23 0.01 -0.76 -0.68 114.94 115.71 2g54 s ASN 312 Ca -0.03 -0.55 0.01 0.00 -0.71 0.00 0.00 52.86 51.58 2g54 s ASN 312 Cb -0.18 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.56 2g54 s ASN 312 CO -0.08 -0.26 -0.19 -0.22 -1.51 0.00 0.00 177.10 174.85 2g54 s LEU 313 N -1.60 1.99 -0.21 0.60 2.96 -0.70 -0.44 118.68 121.29 2g54 s LEU 313 Ca -0.12 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.17 2g54 s LEU 313 Cb -0.09 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 2g54 s LEU 313 CO -0.01 0.01 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.68 2g54 s TYR 314 N 1.19 2.95 -0.16 5.38 2.02 0.96 -0.95 117.35 128.74 2g54 s TYR 314 Ca 0.01 -0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 55.86 2g54 s TYR 314 Cb -0.14 -2.07 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 2g54 s TYR 314 CO -0.09 -0.47 -0.13 0.08 -1.57 0.00 0.00 175.55 173.38 2g54 s VAL 315 N 1.28 2.92 0.00 0.71 1.01 -0.98 -0.67 120.40 124.68 2g54 s VAL 315 Ca 0.03 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2g54 s VAL 315 Cb -0.14 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2g54 s VAL 315 CO -0.02 0.50 -0.14 -0.89 0.00 0.00 0.00 175.10 174.56 2g54 s THR 316 N 0.77 1.08 -0.05 3.92 2.01 -0.04 -1.31 115.64 122.02 2g54 s THR 316 Ca -0.05 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2g54 s THR 316 Cb -0.15 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2g54 s THR 316 CO 0.01 0.23 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.66 2g54 s PHE 317 N -0.45 1.59 0.19 4.92 0.40 0.44 -1.07 117.98 124.01 2g54 s PHE 317 Ca 0.04 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.55 2g54 s PHE 317 Cb -0.06 -1.11 -0.08 0.00 0.51 0.00 0.00 43.02 42.29 2g54 s PHE 317 CO -0.00 -0.22 0.97 -1.25 0.70 0.00 0.00 175.22 175.42 2g54 s PRO 318 N 0.32 4.76 0.11 0.24 0.04 -1.26 -0.12 135.00 139.10 2g54 s PRO 318 Ca -0.09 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 2g54 s PRO 318 Cb -0.13 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2g54 s PRO 318 CO 0.03 0.35 0.04 0.96 0.04 0.00 0.00 177.00 178.41 2g54 s ILE 319 N -0.64 0.13 1.07 0.56 -4.36 -0.51 -4.87 121.20 112.58 2g54 s ILE 319 Ca 0.44 -1.87 -0.14 0.00 -0.26 0.00 0.00 60.65 58.82 2g54 s ILE 319 Cb -0.26 -1.90 0.23 0.00 1.25 0.00 0.00 42.46 41.78 2g54 s ILE 319 CO 0.32 -0.61 1.08 -2.84 0.24 0.00 0.00 174.94 173.13 2g54 s PRO 320 N -4.01 -0.19 -0.31 0.37 0.02 -1.26 -1.57 135.00 128.05 2g54 s PRO 320 Ca 0.19 0.45 -0.29 0.00 0.02 0.00 0.00 61.00 61.37 2g54 s PRO 320 Cb 0.08 -1.67 0.01 0.00 0.02 0.00 0.00 34.50 32.93 2g54 s PRO 320 CO -0.01 -3.13 1.18 0.34 -0.33 0.00 0.00 177.00 175.05 2g54 s ASP 321 N -3.36 6.81 0.00 2.53 3.68 -1.26 -3.90 116.67 121.18 2g54 s ASP 321 Ca 0.67 1.12 0.23 0.00 2.13 0.00 0.00 52.55 56.70 2g54 s ASP 321 Cb -0.18 -2.54 0.45 0.00 -1.45 0.00 0.00 42.92 39.20 2g54 s ASP 321 CO 0.59 -0.98 1.41 0.18 0.13 0.00 0.00 175.17 176.50 2g54 n LEU 322 N 7.22 3.09 -0.25 -1.34 4.77 -1.26 -4.53 117.00 124.70 2g54 n LEU 322 Ca 0.13 -1.28 0.04 0.00 -0.03 0.00 0.00 56.01 54.88 2g54 n LEU 322 Cb 0.47 -0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.55 2g54 n LEU 322 CO 0.61 0.64 1.03 -0.61 -1.33 0.00 0.00 177.39 177.73 2g54 h GLN 323 N 4.14 0.46 0.00 3.23 5.75 -1.99 -0.83 115.11 125.87 2g54 h GLN 323 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2g54 h GLN 323 Cb 0.91 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.35 2g54 h GLN 323 CO 0.00 0.30 0.02 1.57 -2.65 0.00 0.00 178.83 178.07 2g54 h LYS 324 N 0.47 0.00 -0.90 1.69 2.10 -1.98 -2.60 116.57 115.36 2g54 h LYS 324 Ca 0.40 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.76 2g54 h LYS 324 Cb 0.57 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.73 2g54 h LYS 324 CO -0.37 0.00 0.36 0.66 -2.00 0.00 0.00 179.45 178.10 2g54 n TYR 325 N -2.80 2.21 0.29 0.07 4.01 -0.32 -4.63 117.16 115.99 2g54 n TYR 325 Ca -0.02 -1.26 0.15 0.00 -0.16 0.00 0.00 57.90 56.60 2g54 n TYR 325 Cb 0.07 -0.69 0.80 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.54 0.00 0.00 -0.72 -0.00 -1.61 0.20 116.97 116.37 2g54 h TYR 326 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 2g54 h TYR 326 Cb 2.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.97 2g54 h TYR 326 CO 1.15 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 180.94 2g54 n LYS 327 N -2.72 0.12 0.00 0.10 5.02 -1.26 -4.13 118.16 115.28 2g54 n LYS 327 Ca -0.02 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2g54 n LYS 327 Cb 0.28 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2g54 n LYS 327 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2g54 n SER 328 N -1.86 2.88 -3.63 4.39 3.41 0.09 -0.57 113.62 118.34 2g54 n SER 328 Ca 0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.40 2g54 n SER 328 Cb 0.35 0.26 0.03 0.00 -0.26 0.00 0.00 64.21 64.60 2g54 n SER 328 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2g54 n ASN 329 N -1.46 -5.57 0.24 4.04 5.03 0.46 -4.84 115.26 113.16 2g54 n ASN 329 Ca 0.00 -0.89 0.07 0.00 0.87 0.00 0.00 54.58 54.63 2g54 n ASN 329 Cb 0.29 -3.29 0.59 0.00 -1.02 0.00 0.00 39.78 36.35 2g54 n ASN 329 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2g54 h PRO 330 N -1.31 0.02 -0.47 3.52 0.13 -1.93 -2.17 132.00 129.79 2g54 h PRO 330 Ca -0.57 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.48 2g54 h PRO 330 Cb 1.32 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2g54 h PRO 330 CO 0.44 0.07 -0.01 0.78 -0.23 0.00 0.00 178.00 179.05 2g54 h GLY 331 N 0.20 0.90 1.83 1.56 0.00 -1.93 -2.41 103.07 103.22 2g54 h GLY 331 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 2g54 h GLY 331 CO 0.01 0.62 -0.52 0.45 0.00 0.00 0.00 176.54 177.10 2g54 h HIS 332 N 0.69 0.23 0.00 5.60 3.86 -1.80 -0.24 115.15 123.49 2g54 h HIS 332 Ca 0.13 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2g54 h HIS 332 Cb 0.52 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 2g54 h HIS 332 CO 0.04 0.66 -0.09 -0.92 0.86 0.00 0.00 177.93 178.49 2g54 h TYR 333 N 0.14 -0.22 -0.18 2.45 3.20 -1.21 0.49 116.97 121.65 2g54 h TYR 333 Ca 0.00 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2g54 h TYR 333 Cb 0.96 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2g54 h TYR 333 CO 0.01 -0.13 -0.36 -0.07 -1.64 0.00 0.00 178.16 175.97 2g54 h LEU 334 N -0.15 0.40 -0.45 2.82 3.38 -1.25 -2.46 115.31 117.59 2g54 h LEU 334 Ca 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2g54 h LEU 334 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2g54 h LEU 334 CO -0.09 0.73 0.09 1.23 0.09 0.00 0.00 178.44 180.50 2g54 h GLY 335 N 1.12 0.79 0.72 0.83 0.00 -0.44 0.39 103.07 106.48 2g54 h GLY 335 Ca 0.04 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 46.91 2g54 h GLY 335 CO 0.06 0.48 0.42 0.84 0.00 0.00 0.00 176.54 178.34 2g54 h HIS 336 N 0.60 0.78 0.14 5.60 -0.00 0.19 0.32 115.15 122.79 2g54 h HIS 336 Ca 0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2g54 h HIS 336 Cb 0.35 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 2g54 h HIS 336 CO 0.02 0.39 -0.07 -0.07 -0.00 0.00 0.00 177.93 178.21 2g54 h LEU 337 N 0.79 -0.16 -1.15 0.26 4.07 -1.24 -2.74 115.31 115.15 2g54 h LEU 337 Ca 0.32 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 2g54 h LEU 337 Cb 0.16 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 2g54 h LEU 337 CO -0.17 0.43 0.20 0.40 -1.08 0.00 0.00 178.44 178.22 2g54 h ILE 338 N -0.96 1.21 -0.18 1.22 2.04 -0.93 -2.44 117.51 117.47 2g54 h ILE 338 Ca -0.02 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2g54 h ILE 338 Cb 0.46 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2g54 h ILE 338 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.05 2g54 n GLY 339 N -1.02 0.19 3.77 5.37 0.00 0.11 -4.65 105.19 108.96 2g54 n GLY 339 Ca 0.04 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.77 2.63 0.00 1.61 5.04 -0.92 -4.79 115.29 117.09 2g54 s HIS 340 Ca 0.29 1.32 0.00 0.00 -1.54 0.00 0.00 55.06 55.13 2g54 s HIS 340 Cb 0.16 -3.82 0.00 0.00 0.04 0.00 0.00 32.58 28.95 2g54 s HIS 340 CO 0.23 -2.57 0.00 0.39 -2.34 0.00 0.00 174.74 170.45 2g54 n GLU 341 N 0.02 2.50 0.00 2.88 1.02 -1.26 -4.24 120.64 121.56 2g54 n GLU 341 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2g54 n GLU 341 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2g54 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2g54 n GLY 342 N 5.00 0.54 3.72 0.62 0.00 -1.25 -4.70 105.19 109.13 2g54 n GLY 342 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 0.78 2.64 -0.70 1.61 -0.02 -1.26 -2.40 135.00 135.65 2g54 n PRO 343 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2g54 n PRO 343 Cb 0.00 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 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 3.11 0.85 3.87 -1.23 0.00 -1.26 -4.60 105.19 105.92 2g54 n GLY 344 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.97 4.62 0.12 1.61 1.04 -1.01 -1.18 113.70 115.93 2g54 s SER 345 Ca 0.00 0.96 -0.19 0.00 0.48 0.00 0.00 55.95 57.20 2g54 s SER 345 Cb 0.00 -1.57 -0.05 0.00 0.10 0.00 0.00 66.02 64.50 2g54 s SER 345 CO 0.00 -1.85 1.75 0.25 0.98 0.00 0.00 173.24 174.37 2g54 h LEU 346 N -1.01 0.30 -0.48 2.42 5.85 -1.83 -2.87 115.31 117.70 2g54 h LEU 346 Ca -0.46 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.28 2g54 h LEU 346 Cb 1.30 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2g54 h LEU 346 CO 0.64 0.26 0.16 0.25 -0.34 0.00 0.00 178.44 179.41 2g54 h LEU 347 N 0.32 0.15 -0.49 2.25 6.46 -1.86 -1.26 115.31 120.89 2g54 h LEU 347 Ca 0.09 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 58.00 2g54 h LEU 347 Cb 0.01 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 2g54 h LEU 347 CO -0.02 0.11 0.05 0.28 -0.62 0.00 0.00 178.44 178.25 2g54 h SER 348 N 0.33 -0.10 -0.31 1.25 0.02 -1.77 0.17 113.55 113.14 2g54 h SER 348 Ca 0.23 0.10 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2g54 h SER 348 Cb 0.25 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2g54 h SER 348 CO -0.25 -0.02 -0.18 -0.08 -1.14 0.00 0.00 176.83 175.17 2g54 h GLU 349 N 0.17 0.67 -0.19 3.45 4.57 -1.35 -1.24 114.58 120.67 2g54 h GLU 349 Ca 0.24 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2g54 h GLU 349 Cb 0.35 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2g54 h GLU 349 CO -0.36 0.90 0.09 -0.07 -1.18 0.00 0.00 179.01 178.39 2g54 h LEU 350 N 0.43 0.23 0.21 1.64 4.07 -0.64 -1.65 115.31 119.60 2g54 h LEU 350 Ca 0.07 -0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.72 2g54 h LEU 350 Cb 0.72 -0.06 0.03 0.00 1.08 0.00 0.00 40.66 42.43 2g54 h LEU 350 CO 0.05 0.20 -1.32 0.50 -1.08 0.00 0.00 178.44 176.79 2g54 h LYS 351 N 0.26 0.45 0.00 1.13 3.64 -0.56 -2.07 116.57 119.42 2g54 h LYS 351 Ca 0.07 -0.77 -0.02 0.00 -1.27 0.00 0.00 60.65 58.67 2g54 h LYS 351 Cb 0.04 0.29 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2g54 h LYS 351 CO -0.01 1.37 -0.08 0.77 -2.27 0.00 0.00 179.45 179.23 2g54 h SER 352 N -0.03 0.00 0.25 4.20 0.02 -0.88 0.13 113.55 117.24 2g54 h SER 352 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2g54 h SER 352 Cb 2.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2g54 h SER 352 CO 0.22 0.08 -0.06 0.29 -1.14 0.00 0.00 176.83 176.22 2g54 n LYS 353 N -4.17 0.86 -1.76 3.45 5.02 -0.65 -4.92 118.16 115.99 2g54 n LYS 353 Ca -0.03 -0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 55.89 2g54 n LYS 353 Cb 0.16 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.20 0.59 0.07 0.72 0.00 0.47 -4.92 105.19 103.33 2g54 n GLY 354 Ca 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.32 0.00 -3.99 1.61 8.01 -0.82 -4.15 117.44 114.77 2g54 n TRP 355 Ca -0.12 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.97 2g54 n TRP 355 Cb 0.48 -0.80 -0.11 0.00 -2.01 0.00 0.00 31.31 28.88 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 -2.71 0.15 -0.10 -0.99 1.01 -0.95 -2.07 120.40 114.74 2g54 s VAL 356 Ca -0.09 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.98 2g54 s VAL 356 Cb 0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 36.38 36.01 2g54 s VAL 356 CO 0.79 -0.52 -0.01 0.59 0.00 0.00 0.00 175.10 175.95 2g54 n ASN 357 N 1.51 2.90 -4.05 3.32 3.02 -1.26 -3.79 115.26 116.93 2g54 n ASN 357 Ca -0.23 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.21 2g54 n ASN 357 Cb 0.55 0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 40.03 2g54 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2g54 s THR 358 N -2.22 0.24 -0.07 3.41 -4.23 -1.26 -5.01 115.64 106.50 2g54 s THR 358 Ca -0.08 -1.39 -0.08 0.00 -1.18 0.00 0.00 61.69 58.96 2g54 s THR 358 Cb 0.03 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.95 2g54 s THR 358 CO 0.33 -0.73 0.21 -0.22 -0.54 0.00 0.00 174.62 173.67 2g54 s LEU 359 N -2.22 1.19 -0.07 4.79 2.96 -1.26 -1.49 118.68 122.58 2g54 s LEU 359 Ca -0.03 0.36 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2g54 s LEU 359 Cb -0.01 0.77 0.01 0.00 0.50 0.00 0.00 46.19 47.46 2g54 s LEU 359 CO -0.05 -0.12 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.03 2g54 s VAL 360 N -0.11 1.22 0.04 1.68 1.01 0.22 -5.00 120.40 119.46 2g54 s VAL 360 Ca -0.02 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2g54 s VAL 360 Cb -0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 2g54 s VAL 360 CO 0.01 0.37 -0.03 -0.83 0.00 0.00 0.00 175.10 174.63 2g54 s GLY 361 N 0.63 0.39 0.00 4.51 0.00 -1.26 -0.46 107.32 111.13 2g54 s GLY 361 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2g54 s GLY 361 CO 0.04 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 172.65 2g54 n GLY 362 N 0.56 0.85 3.86 0.20 0.00 -0.73 -4.64 105.19 105.29 2g54 n GLY 362 Ca -0.17 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.43 3.89 -0.03 1.61 -2.07 -1.26 -0.76 119.66 119.60 2g54 s GLN 363 Ca 0.00 0.64 0.03 0.00 -1.82 0.00 0.00 55.36 54.21 2g54 s GLN 363 Cb 0.00 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 2g54 s GLN 363 CO 0.00 -0.02 -0.10 0.21 -1.32 0.00 0.00 175.29 174.05 2g54 s LYS 364 N -3.61 1.16 0.59 9.60 2.20 0.38 -4.88 119.74 125.18 2g54 s LYS 364 Ca 0.54 -0.35 -0.19 0.00 -0.36 0.00 0.00 55.97 55.62 2g54 s LYS 364 Cb -0.10 -1.05 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 2g54 s LYS 364 CO 0.26 0.11 1.18 -1.21 -0.36 0.00 0.00 175.35 175.34 2g54 s GLU 365 N 0.28 3.01 0.00 4.03 2.02 -1.26 -1.75 118.70 125.03 2g54 s GLU 365 Ca -0.05 1.75 0.00 0.00 0.02 0.00 0.00 54.97 56.69 2g54 s GLU 365 Cb -0.10 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.18 2g54 s GLU 365 CO 0.01 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 174.54 2g54 n GLY 366 N 0.36 0.30 3.68 -1.39 0.00 -1.22 -4.74 105.19 102.18 2g54 n GLY 366 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.08 -0.37 4.61 0.00 -0.74 -4.97 121.76 116.22 2g54 s ALA 367 Ca 0.00 0.48 -0.37 0.00 0.00 0.00 0.00 51.96 52.07 2g54 s ALA 367 Cb 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 23.12 23.46 2g54 s ALA 367 CO 0.00 -1.06 2.15 0.54 0.00 0.00 0.00 175.76 177.39 2g54 n ARG 368 N -0.51 0.91 0.00 0.00 5.12 -1.26 -1.08 116.66 119.84 2g54 n ARG 368 Ca -0.07 0.25 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2g54 n ARG 368 Cb 0.62 -2.28 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 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 6.56 2.29 3.38 -0.13 0.00 -1.26 -0.41 105.19 115.62 2g54 n GLY 369 Ca 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.11 -0.42 0.33 1.61 -0.12 -0.24 -4.11 117.98 112.93 2g54 s PHE 370 Ca 0.00 0.65 0.01 0.00 -0.05 0.00 0.00 56.93 57.55 2g54 s PHE 370 Cb 0.00 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 2g54 s PHE 370 CO 0.00 -0.53 0.38 -1.64 -0.05 0.00 0.00 175.22 173.38 2g54 s MET 371 N -1.52 1.82 0.10 1.99 -1.94 -0.61 -1.78 119.30 117.36 2g54 s MET 371 Ca -0.11 -1.85 0.02 0.00 -1.71 0.00 0.00 55.69 52.04 2g54 s MET 371 Cb -0.02 0.39 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 2g54 s MET 371 CO 0.05 -0.72 -0.07 -0.06 -0.01 0.00 0.00 175.02 174.22 2g54 s PHE 372 N -3.26 0.90 -0.10 -0.03 0.40 -0.72 -1.43 117.98 113.75 2g54 s PHE 372 Ca 0.35 -0.89 0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2g54 s PHE 372 Cb 0.01 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 43.04 2g54 s PHE 372 CO 0.23 -0.14 -0.15 0.12 0.70 0.00 0.00 175.22 175.99 2g54 s PHE 373 N -3.52 1.87 0.31 0.36 2.19 0.83 -0.47 117.98 119.56 2g54 s PHE 373 Ca 0.11 -0.84 0.09 0.00 0.33 0.00 0.00 56.93 56.62 2g54 s PHE 373 Cb 0.05 -1.36 -0.06 0.00 -1.31 0.00 0.00 43.02 40.34 2g54 s PHE 373 CO -0.04 -0.44 -0.11 0.96 1.83 0.00 0.00 175.22 177.42 2g54 s ILE 374 N 0.93 2.12 -0.36 3.12 -5.25 0.06 -0.42 121.20 121.41 2g54 s ILE 374 Ca -0.08 -2.23 0.03 0.00 -0.99 0.00 0.00 60.65 57.39 2g54 s ILE 374 Cb -0.15 -2.51 0.16 0.00 2.95 0.00 0.00 42.46 42.91 2g54 s ILE 374 CO -0.00 -0.28 0.41 -0.63 -1.79 0.00 0.00 174.94 172.65 2g54 s ILE 375 N -2.70 -0.46 -0.11 8.37 1.01 -0.42 -1.77 121.20 125.11 2g54 s ILE 375 Ca 0.31 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 2g54 s ILE 375 Cb 0.01 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 2g54 s ILE 375 CO 0.15 -0.46 0.08 0.20 0.00 0.00 0.00 174.94 174.90 2g54 s ASN 376 N 1.68 5.88 0.10 3.58 0.01 0.39 -2.32 114.94 124.26 2g54 s ASN 376 Ca 0.15 0.32 0.02 0.00 -0.71 0.00 0.00 52.86 52.65 2g54 s ASN 376 Cb -0.13 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2g54 s ASN 376 CO -0.09 0.39 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.13 2g54 s VAL 377 N -0.92 0.75 0.40 1.60 1.01 -0.13 -0.61 120.40 122.50 2g54 s VAL 377 Ca 0.14 -1.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.17 2g54 s VAL 377 Cb -0.12 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 2g54 s VAL 377 CO 0.03 -0.79 0.76 -0.62 0.00 0.00 0.00 175.10 174.48 2g54 s ASP 378 N -2.88 6.50 -0.10 3.32 2.15 -0.55 -1.72 116.67 123.39 2g54 s ASP 378 Ca 0.10 1.10 0.01 0.00 0.43 0.00 0.00 52.55 54.19 2g54 s ASP 378 Cb 0.03 -2.31 0.02 0.00 -0.30 0.00 0.00 42.92 40.36 2g54 s ASP 378 CO -0.03 -0.40 -0.12 -0.76 -0.17 0.00 0.00 175.17 173.69 2g54 s LEU 379 N -3.89 1.54 0.81 -1.34 1.43 0.14 -4.18 118.68 113.20 2g54 s LEU 379 Ca 0.51 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 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 0.32 -0.02 1.14 0.42 0.23 0.00 0.00 176.35 178.43 2g54 s THR 380 N 1.14 2.12 0.16 5.49 -4.23 -0.88 -4.60 115.64 114.84 2g54 s THR 380 Ca -0.05 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 2g54 s THR 380 Cb -0.14 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.85 2g54 s THR 380 CO -0.03 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.51 2g54 h GLU 381 N -1.00 0.43 -0.41 3.99 5.08 -1.90 -0.83 114.58 119.93 2g54 h GLU 381 Ca -0.42 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 2g54 h GLU 381 Cb 1.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2g54 h GLU 381 CO 0.46 0.28 0.10 0.93 -1.00 0.00 0.00 179.01 179.79 2g54 h GLU 382 N 0.44 0.66 -0.84 2.33 4.39 -1.91 -2.83 114.58 116.81 2g54 h GLU 382 Ca 0.17 -0.16 0.12 0.00 0.34 0.00 0.00 59.36 59.83 2g54 h GLU 382 Cb 0.05 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.55 2g54 h GLU 382 CO -0.10 0.68 0.55 0.78 -1.16 0.00 0.00 179.01 179.76 2g54 h GLY 383 N 0.53 1.09 2.00 -3.84 0.00 -1.54 0.93 103.07 102.24 2g54 h GLY 383 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2g54 h GLY 383 CO 0.00 0.13 -0.03 -2.00 0.00 0.00 0.00 176.54 174.64 2g54 h LEU 384 N 0.69 0.00 -1.04 3.11 5.85 -0.91 -1.13 115.31 121.88 2g54 h LEU 384 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2g54 h LEU 384 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2g54 h LEU 384 CO -0.17 0.03 -0.01 0.18 -0.34 0.00 0.00 178.44 178.13 2g54 n LEU 385 N -4.39 1.63 -1.92 2.25 4.77 0.30 -4.15 117.00 115.49 2g54 n LEU 385 Ca -0.03 -0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 55.36 2g54 n LEU 385 Cb 0.11 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2g54 n LEU 385 CO 0.33 0.27 0.12 1.41 -1.33 0.00 0.00 177.39 178.20 2g54 n HIS 386 N 0.27 1.17 -0.22 -1.77 8.25 -0.44 -4.86 115.22 117.62 2g54 n HIS 386 Ca 0.18 -1.69 -0.02 0.00 -0.26 0.00 0.00 57.72 55.92 2g54 n HIS 386 Cb 0.38 -0.25 0.08 0.00 1.12 0.00 0.00 29.99 31.32 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 4.12 0.99 -0.69 1.59 2.07 -1.69 -0.34 116.25 122.30 2g54 h VAL 387 Ca 0.01 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.35 2g54 h VAL 387 Cb 1.43 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2g54 h VAL 387 CO 0.29 0.12 0.40 -0.08 0.02 0.00 0.00 177.57 178.33 2g54 h GLU 388 N 0.67 0.73 -0.42 1.57 4.81 -1.91 -0.75 114.58 119.28 2g54 h GLU 388 Ca 0.28 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 2g54 h GLU 388 Cb 0.15 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2g54 h GLU 388 CO -0.16 0.49 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.86 2g54 h ASP 389 N 0.76 0.96 -0.30 1.04 3.32 -1.79 -1.76 116.42 118.64 2g54 h ASP 389 Ca 0.30 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2g54 h ASP 389 Cb 0.14 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2g54 h ASP 389 CO -0.16 1.19 0.18 0.40 -1.72 0.00 0.00 179.24 179.13 2g54 h ILE 390 N 0.78 1.05 -0.56 0.35 2.04 -0.56 -0.51 117.51 120.09 2g54 h ILE 390 Ca 0.08 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 2g54 h ILE 390 Cb 0.88 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2g54 h ILE 390 CO 0.08 0.07 0.18 0.40 0.00 0.00 0.00 178.15 178.88 2g54 h ILE 391 N 0.38 1.22 -0.81 -0.67 2.04 -1.05 -1.42 117.51 117.19 2g54 h ILE 391 Ca 0.12 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 2g54 h ILE 391 Cb -0.01 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2g54 h ILE 391 CO -0.05 0.28 0.40 0.25 0.00 0.00 0.00 178.15 179.03 2g54 h LEU 392 N 0.81 1.05 -1.06 1.44 5.85 -0.63 -1.48 115.31 121.28 2g54 h LEU 392 Ca 0.19 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2g54 h LEU 392 Cb 0.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2g54 h LEU 392 CO -0.01 0.88 0.00 0.45 -0.34 0.00 0.00 178.44 179.42 2g54 h HIS 393 N 1.14 0.70 -0.40 1.25 3.86 -0.27 0.03 115.15 121.47 2g54 h HIS 393 Ca 0.28 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2g54 h HIS 393 Cb 0.10 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2g54 h HIS 393 CO 0.01 0.67 0.24 0.52 0.86 0.00 0.00 177.93 180.23 2g54 h MET 394 N 0.63 0.54 0.00 2.45 2.86 -0.33 -1.09 114.93 119.99 2g54 h MET 394 Ca 0.13 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 2g54 h MET 394 Cb 0.39 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2g54 h MET 394 CO 0.01 0.40 -0.42 0.74 1.06 0.00 0.00 176.91 178.70 2g54 h PHE 395 N 0.52 0.00 -0.41 -0.22 -1.00 -0.87 -1.83 116.94 113.12 2g54 h PHE 395 Ca 0.14 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 2g54 h PHE 395 Cb -0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 2g54 h PHE 395 CO -0.04 0.42 -0.18 1.96 -1.61 0.00 0.00 178.31 178.87 2g54 h GLN 396 N 0.00 0.85 -0.55 1.51 4.20 -0.54 0.01 115.11 120.60 2g54 h GLN 396 Ca -0.00 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.29 2g54 h GLN 396 Cb 0.92 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 2g54 h GLN 396 CO 0.06 1.00 0.12 -0.92 -0.67 0.00 0.00 178.83 178.42 2g54 h TYR 397 N 0.67 0.93 -0.80 2.96 3.20 -1.02 -1.45 116.97 121.46 2g54 h TYR 397 Ca 0.09 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2g54 h TYR 397 Cb 0.74 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 2g54 h TYR 397 CO 0.06 0.81 0.51 0.82 -1.64 0.00 0.00 178.16 178.72 2g54 h ILE 398 N 0.78 1.21 -0.52 1.81 2.04 -1.15 -1.35 117.51 120.33 2g54 h ILE 398 Ca 0.17 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2g54 h ILE 398 Cb 0.36 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2g54 h ILE 398 CO 0.00 0.21 0.25 1.56 0.00 0.00 0.00 178.15 180.18 2g54 h GLN 399 N 1.08 0.72 -0.74 2.37 1.08 -0.59 -1.51 115.11 117.53 2g54 h GLN 399 Ca 0.29 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 2g54 h GLN 399 Cb -0.09 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.16 2g54 h GLN 399 CO -0.06 0.56 0.42 -0.22 -0.95 0.00 0.00 178.83 178.58 2g54 h LYS 400 N 0.73 1.02 -0.30 1.46 1.63 -0.19 0.71 116.57 121.62 2g54 h LYS 400 Ca 0.18 -0.11 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 2g54 h LYS 400 Cb 0.07 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2g54 h LYS 400 CO -0.03 0.75 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.56 2g54 h LEU 401 N 1.01 0.47 -0.43 5.20 3.38 -0.71 -0.82 115.31 123.41 2g54 h LEU 401 Ca 0.26 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2g54 h LEU 401 Cb 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2g54 h LEU 401 CO -0.04 0.60 -0.56 0.03 0.09 0.00 0.00 178.44 178.56 2g54 h ARG 402 N 0.46 0.68 -0.36 1.13 3.08 -0.71 -0.50 114.38 118.15 2g54 h ARG 402 Ca 0.09 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 2g54 h ARG 402 Cb 0.44 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2g54 h ARG 402 CO 0.02 1.05 -0.25 0.00 -1.07 0.00 0.00 179.97 179.73 2g54 h ALA 403 N 0.86 0.89 0.00 0.04 0.00 -0.33 -3.12 119.26 117.59 2g54 h ALA 403 Ca 0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 2g54 h ALA 403 Cb 1.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2g54 h ALA 403 CO 0.11 0.63 -1.16 0.93 0.00 0.00 0.00 179.25 179.76 2g54 h GLU 404 N 0.64 0.00 -0.04 0.00 4.39 -1.17 -3.51 114.58 114.89 2g54 h GLU 404 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2g54 h GLU 404 Cb 0.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2g54 h GLU 404 CO 0.06 0.70 -0.01 0.41 -1.16 0.00 0.00 179.01 179.01 2g54 n GLY 405 N 1.39 -2.28 3.73 -3.84 0.00 -0.20 -4.88 105.19 99.11 2g54 n GLY 405 Ca -0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.28 2.43 -3.88 1.61 -0.04 -1.26 -4.94 135.00 126.64 2g54 n PRO 406 Ca -0.00 0.86 -0.35 0.00 -0.04 0.00 0.00 63.50 63.96 2g54 n PRO 406 Cb 0.01 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 30.77 2g54 n PRO 406 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2g54 s GLN 407 N -1.13 3.34 0.28 0.54 2.00 -1.26 -5.00 119.66 118.43 2g54 s GLN 407 Ca 0.61 -0.66 0.03 0.00 -2.00 0.00 0.00 55.36 53.34 2g54 s GLN 407 Cb -0.54 -3.07 0.42 0.00 0.80 0.00 0.00 33.01 30.61 2g54 s GLN 407 CO 0.55 -0.23 1.72 1.49 -0.50 0.00 0.00 175.29 178.32 2g54 h GLU 408 N 8.13 0.45 -0.25 1.67 4.81 -1.99 -2.71 114.58 124.69 2g54 h GLU 408 Ca -0.40 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.63 2g54 h GLU 408 Cb 1.15 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2g54 h GLU 408 CO 0.60 0.69 0.05 0.11 -0.73 0.00 0.00 179.01 179.72 2g54 h TRP 409 N 0.40 0.36 -0.25 0.92 5.08 -1.98 0.51 115.95 120.99 2g54 h TRP 409 Ca 0.06 -0.02 -0.07 0.00 1.08 0.00 0.00 58.89 59.94 2g54 h TRP 409 Cb 0.69 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 2g54 h TRP 409 CO 0.02 0.34 -0.13 0.28 -1.28 0.00 0.00 178.44 177.67 2g54 h VAL 410 N 0.36 1.30 -0.26 0.12 2.07 -1.92 -0.68 116.25 117.24 2g54 h VAL 410 Ca 0.09 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2g54 h VAL 410 Cb 0.17 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2g54 h VAL 410 CO -0.00 0.38 0.17 0.15 0.02 0.00 0.00 177.57 178.29 2g54 h PHE 411 N 0.25 0.33 -0.77 1.57 3.57 -1.06 -2.33 116.94 118.51 2g54 h PHE 411 Ca 0.05 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.63 2g54 h PHE 411 Cb 0.64 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 2g54 h PHE 411 CO 0.06 0.22 0.44 1.96 -2.23 0.00 0.00 178.31 178.76 2g54 h GLN 412 N 0.36 0.77 -0.08 1.11 1.08 0.13 -0.12 115.11 118.35 2g54 h GLN 412 Ca 0.10 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2g54 h GLN 412 Cb -0.04 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.22 2g54 h GLN 412 CO -0.02 0.51 0.05 1.49 -0.95 0.00 0.00 178.83 179.90 2g54 h GLU 413 N 0.79 0.12 -0.34 1.46 4.81 -0.81 -0.17 114.58 120.43 2g54 h GLU 413 Ca 0.35 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2g54 h GLU 413 Cb 0.24 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2g54 h GLU 413 CO -0.20 0.15 -0.09 0.00 -0.73 0.00 0.00 179.01 178.13 2g54 h LYS 415 N 0.53 -0.18 -0.37 0.00 3.64 -0.73 -0.13 116.57 119.33 2g54 h LYS 415 Ca 0.10 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2g54 h LYS 415 Cb 0.48 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2g54 h LYS 415 CO 0.03 0.02 0.19 -0.44 -2.27 0.00 0.00 179.45 176.97 2g54 h ASP 416 N -0.34 0.28 -0.56 4.20 3.32 -0.80 -0.09 116.42 122.42 2g54 h ASP 416 Ca -0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2g54 h ASP 416 Cb 0.27 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2g54 h ASP 416 CO 0.03 0.21 0.36 -0.07 -1.72 0.00 0.00 179.24 178.05 2g54 h LEU 417 N 0.38 0.66 -1.07 1.55 4.07 -1.17 -0.34 115.31 119.39 2g54 h LEU 417 Ca 0.15 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 2g54 h LEU 417 Cb 0.05 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2g54 h LEU 417 CO -0.10 0.49 0.20 0.78 -1.08 0.00 0.00 178.44 178.73 2g54 h ASN 418 N 0.76 0.79 -0.41 -0.43 4.21 -0.58 0.69 115.58 120.61 2g54 h ASN 418 Ca 0.20 -0.12 -0.10 0.00 1.21 0.00 0.00 56.30 57.50 2g54 h ASN 418 Cb -0.06 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 36.92 2g54 h ASN 418 CO -0.04 0.74 -0.12 0.00 -1.29 0.00 0.00 177.43 176.72 2g54 h ALA 419 N 1.38 0.57 -0.41 -0.83 0.00 -0.40 -0.65 119.26 118.92 2g54 h ALA 419 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2g54 h ALA 419 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2g54 h ALA 419 CO -0.01 0.46 0.21 0.28 0.00 0.00 0.00 179.25 180.19 2g54 h VAL 420 N 0.63 1.16 -0.53 0.00 2.07 -0.73 -1.16 116.25 117.70 2g54 h VAL 420 Ca 0.10 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2g54 h VAL 420 Cb 0.65 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2g54 h VAL 420 CO 0.04 0.17 0.31 0.00 0.02 0.00 0.00 177.57 178.12 2g54 h ALA 421 N 1.06 0.67 0.03 1.67 0.00 -0.67 -1.63 119.26 120.39 2g54 h ALA 421 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2g54 h ALA 421 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2g54 h ALA 421 CO -0.02 0.17 -0.01 0.35 0.00 0.00 0.00 179.25 179.74 2g54 h PHE 422 N 0.71 -0.03 -0.56 0.00 3.57 -0.93 0.70 116.94 120.40 2g54 h PHE 422 Ca 0.19 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.76 2g54 h PHE 422 Cb 0.01 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 2g54 h PHE 422 CO -0.02 0.19 0.22 -0.09 -2.23 0.00 0.00 178.31 176.37 2g54 h ARG 423 N -0.25 0.40 -0.61 1.11 2.43 -1.10 -2.49 114.38 113.88 2g54 h ARG 423 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 2g54 h ARG 423 Cb 0.23 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 2g54 h ARG 423 CO 0.01 0.26 0.12 1.19 -1.51 0.00 0.00 179.97 180.04 2g54 n PHE 424 N -4.98 2.10 -1.70 2.20 3.01 -0.63 -4.47 117.46 113.00 2g54 n PHE 424 Ca 0.07 -0.98 -0.44 0.00 1.01 0.00 0.00 57.45 57.11 2g54 n PHE 424 Cb 0.22 -0.57 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 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 0.11 2.24 -1.92 -1.08 4.81 0.23 -4.93 118.16 117.62 2g54 n LYS 425 Ca 0.33 0.80 -0.39 0.00 -0.87 0.00 0.00 58.31 58.17 2g54 n LYS 425 Cb 1.25 -2.48 0.01 0.00 0.02 0.00 0.00 35.03 33.83 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 0.27 6.00 0.03 3.14 1.01 -1.26 -4.93 116.67 120.94 2g54 s ASP 426 Ca 0.65 2.77 -0.30 0.00 0.71 0.00 0.00 52.55 56.38 2g54 s ASP 426 Cb -0.59 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 40.62 2g54 s ASP 426 CO 0.51 -1.07 1.52 -0.75 0.21 0.00 0.00 175.17 175.59 2g54 s LYS 427 N -2.42 4.24 0.60 8.23 2.20 -1.26 -4.98 119.74 126.35 2g54 s LYS 427 Ca 0.60 2.14 -0.10 0.00 -0.36 0.00 0.00 55.97 58.26 2g54 s LYS 427 Cb -0.40 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 2g54 s LYS 427 CO 0.51 -0.65 0.99 -1.21 -0.36 0.00 0.00 175.35 174.63 2g54 s GLU 428 N 2.51 3.50 0.21 4.03 8.01 -1.26 -4.20 118.70 131.51 2g54 s GLU 428 Ca 0.69 0.60 -0.30 0.00 0.01 0.00 0.00 54.97 55.97 2g54 s GLU 428 Cb -0.35 -2.13 -0.08 0.00 -4.31 0.00 0.00 34.13 27.25 2g54 s GLU 428 CO 0.29 -0.55 1.02 1.03 0.01 0.00 0.00 175.26 177.06 2g54 s ARG 429 N -5.11 4.72 0.19 1.61 0.52 -1.26 -4.92 118.95 114.70 2g54 s ARG 429 Ca 0.54 1.62 -0.19 0.00 -0.52 0.00 0.00 55.73 57.18 2g54 s ARG 429 Cb -0.11 -3.27 0.16 0.00 0.52 0.00 0.00 34.95 32.25 2g54 s ARG 429 CO 0.52 0.29 1.59 -1.35 0.02 0.00 0.00 175.30 176.37 2g54 h PRO 430 N 4.52 -0.12 -0.19 3.54 0.11 -1.96 -1.58 132.00 136.32 2g54 h PRO 430 Ca -0.45 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.72 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 0.69 -0.08 -0.25 -0.09 -0.21 0.00 0.00 178.00 178.06 2g54 h ARG 431 N -0.12 -0.27 -0.13 1.05 2.43 -1.90 0.48 114.38 115.91 2g54 h ARG 431 Ca 0.26 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 2g54 h ARG 431 Cb 0.54 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2g54 h ARG 431 CO -0.68 -0.18 -0.40 0.78 -1.51 0.00 0.00 179.97 177.98 2g54 h GLY 432 N -0.28 0.30 0.72 2.80 0.00 -1.93 -2.68 103.07 102.00 2g54 h GLY 432 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2g54 h GLY 432 CO -0.35 0.26 0.00 -1.82 0.00 0.00 0.00 176.54 174.62 2g54 h TYR 433 N 0.23 0.06 -0.55 5.60 3.20 -0.41 -2.04 116.97 123.07 2g54 h TYR 433 Ca 0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2g54 h TYR 433 Cb 0.81 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2g54 h TYR 433 CO 0.02 0.34 0.20 1.79 -1.64 0.00 0.00 178.16 178.87 2g54 h THR 434 N -0.23 1.23 -0.81 1.81 1.35 -0.94 -1.27 112.91 114.04 2g54 h THR 434 Ca 0.01 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2g54 h THR 434 Cb 0.31 0.67 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 2g54 h THR 434 CO 0.00 0.27 0.52 -1.28 -0.25 0.00 0.00 175.52 174.78 2g54 h SER 435 N 0.75 0.95 -0.17 5.36 0.87 -1.48 -0.65 113.55 119.18 2g54 h SER 435 Ca 0.18 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2g54 h SER 435 Cb 0.23 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2g54 h SER 435 CO -0.01 0.71 0.02 0.50 -0.53 0.00 0.00 176.83 177.52 2g54 h LYS 436 N 1.10 0.29 -0.40 2.24 1.63 -1.08 -2.91 116.57 117.44 2g54 h LYS 436 Ca 0.29 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2g54 h LYS 436 Cb -0.09 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2g54 h LYS 436 CO -0.06 0.46 0.25 0.82 -3.45 0.00 0.00 179.45 177.47 2g54 h ILE 437 N 0.07 1.13 -0.95 2.00 1.08 -1.01 -1.74 117.51 118.08 2g54 h ILE 437 Ca 0.05 -0.28 0.14 0.00 -0.39 0.00 0.00 64.86 64.38 2g54 h ILE 437 Cb 0.32 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 34.56 2g54 h ILE 437 CO 0.00 0.13 0.57 0.00 -0.69 0.00 0.00 178.15 178.16 2g54 h ALA 438 N 1.11 1.47 -0.16 1.87 0.00 -1.10 0.42 119.26 122.88 2g54 h ALA 438 Ca 0.15 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2g54 h ALA 438 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2g54 h ALA 438 CO -0.03 0.08 -0.14 0.78 0.00 0.00 0.00 179.25 179.94 2g54 h GLY 439 N 0.84 0.40 2.00 0.00 0.00 -1.24 -3.23 103.07 101.84 2g54 h GLY 439 Ca 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2g54 h GLY 439 CO -0.31 0.36 0.00 0.29 0.00 0.00 0.00 176.54 176.88 2g54 n ILE 440 N -4.55 0.45 0.30 2.60 -5.35 -0.70 -2.74 119.36 109.36 2g54 n ILE 440 Ca -0.06 0.02 0.17 0.00 -0.27 0.00 0.00 62.75 62.62 2g54 n ILE 440 Cb 0.36 -0.71 0.91 0.00 -1.74 0.00 0.00 39.64 38.46 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 -0.04 7.28 3.38 -0.96 -1.22 115.31 123.75 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 0.04 0.00 1.41 0.09 0.00 0.00 178.44 179.98 2g54 n HIS 442 N -3.35 0.24 0.05 1.13 8.25 -1.11 -3.98 115.22 116.45 2g54 n HIS 442 Ca -0.02 0.08 0.02 0.00 -0.26 0.00 0.00 57.72 57.53 2g54 n HIS 442 Cb 0.18 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.64 2g54 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2g54 n TYR 443 N -1.70 0.00 -4.16 4.41 4.02 -0.49 -5.07 117.16 114.17 2g54 n TYR 443 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.80 2g54 n TYR 443 Cb 0.32 -0.06 -0.11 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.98 1.06 0.73 -0.72 2.02 -1.03 -5.06 117.35 112.37 2g54 s TYR 444 Ca -0.01 -0.60 -0.16 0.00 -0.37 0.00 0.00 57.07 55.94 2g54 s TYR 444 Cb 0.02 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 2g54 s TYR 444 CO 0.15 0.01 1.19 -2.30 -1.57 0.00 0.00 175.55 173.03 2g54 n PRO 445 N 0.80 0.60 -0.21 -1.71 -0.02 -1.26 -4.73 135.00 128.47 2g54 n PRO 445 Ca -0.18 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2g54 n PRO 445 Cb 0.57 -2.44 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.23 0.05 -2.22 2.45 -0.00 -1.98 -1.43 115.31 111.95 2g54 h LEU 446 Ca -0.48 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 57.50 2g54 h LEU 446 Cb 1.32 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 42.12 2g54 h LEU 446 CO 0.49 0.02 -0.06 -0.33 -0.00 0.00 0.00 178.44 178.57 2g54 h GLU 447 N 0.29 0.00 -0.02 1.13 3.07 -1.84 -3.02 114.58 114.18 2g54 h GLU 447 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2g54 h GLU 447 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2g54 h GLU 447 CO -0.41 0.06 -0.01 0.39 -1.40 0.00 0.00 179.01 177.64 2g54 n GLU 448 N -3.49 1.26 -0.29 2.33 1.02 -0.59 -2.30 120.64 118.58 2g54 n GLU 448 Ca -0.02 -1.44 0.24 0.00 -0.02 0.00 0.00 57.16 55.92 2g54 n GLU 448 Cb 0.18 -1.31 0.56 0.00 -0.02 0.00 0.00 31.44 30.85 2g54 n GLU 448 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2g54 h VAL 449 N 3.13 0.54 0.18 2.62 2.07 -1.29 0.41 116.25 123.91 2g54 h VAL 449 Ca 0.00 -0.10 -0.34 0.00 0.82 0.00 0.00 66.70 67.08 2g54 h VAL 449 Cb 0.67 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2g54 h VAL 449 CO 0.00 0.06 -1.64 -0.07 0.02 0.00 0.00 177.57 175.94 2g54 h LEU 450 N 0.30 0.58 0.00 2.57 4.07 -1.83 -3.39 115.31 117.61 2g54 h LEU 450 Ca 0.55 -0.80 -0.11 0.00 0.08 0.00 0.00 57.88 57.59 2g54 h LEU 450 Cb 1.56 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 2g54 h LEU 450 CO -0.20 1.67 -1.29 0.35 -1.08 0.00 0.00 178.44 177.88 2g54 n THR 451 N -3.57 1.00 -0.32 0.22 -2.24 -0.81 -4.53 114.28 104.03 2g54 n THR 451 Ca -0.21 -0.64 0.05 0.00 -2.27 0.00 0.00 64.05 60.98 2g54 n THR 451 Cb 1.07 -0.60 0.14 0.00 -2.10 0.00 0.00 70.33 68.83 2g54 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g54 h ALA 452 N 1.61 0.67 0.00 6.98 0.00 -0.42 0.13 119.26 128.23 2g54 h ALA 452 Ca -0.11 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2g54 h ALA 452 Cb 1.39 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.84 2g54 h ALA 452 CO 0.03 -0.41 0.00 0.39 0.00 0.00 0.00 179.25 179.26 2g54 n GLU 453 N -5.55 0.49 -0.00 0.00 1.02 -1.26 -4.46 120.64 110.87 2g54 n GLU 453 Ca 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 2g54 n GLU 453 Cb 0.49 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 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 -1.25 0.00 -1.95 -0.32 4.01 0.34 -5.00 117.16 112.98 2g54 n TYR 454 Ca 0.15 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.47 2g54 n TYR 454 Cb 0.23 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 -5.80 3.49 0.35 7.72 1.43 -0.50 -4.68 118.68 120.70 2g54 s LEU 455 Ca -0.04 1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 54.21 2g54 s LEU 455 Cb 0.01 -3.48 -0.10 0.00 0.03 0.00 0.00 46.19 42.65 2g54 s LEU 455 CO 0.06 -1.76 0.85 -0.76 0.23 0.00 0.00 176.35 174.97 2g54 s LEU 456 N 7.12 4.09 0.00 1.79 1.43 -1.26 -4.86 118.68 126.99 2g54 s LEU 456 Ca 0.82 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 2g54 s LEU 456 Cb -0.23 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.80 2g54 s LEU 456 CO 0.33 -0.22 0.00 -0.62 0.23 0.00 0.00 176.35 176.08 2g54 n GLU 457 N -0.21 0.64 -4.53 1.70 1.02 0.27 -5.03 120.64 114.50 2g54 n GLU 457 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 2g54 n GLU 457 Cb 0.53 -0.74 -0.12 0.00 -0.02 0.00 0.00 31.44 31.09 2g54 n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2g54 s GLU 458 N -1.47 3.30 -0.24 3.49 2.02 -0.62 -5.04 118.70 120.15 2g54 s GLU 458 Ca 0.00 -0.55 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 2g54 s GLU 458 Cb 0.00 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.43 2g54 s GLU 458 CO 0.00 0.39 0.45 0.12 0.02 0.00 0.00 175.26 176.24 2g54 s PHE 459 N -0.07 3.30 -0.62 1.61 5.36 -1.26 -4.24 117.98 122.06 2g54 s PHE 459 Ca 0.01 0.59 0.05 0.00 -0.96 0.00 0.00 56.93 56.62 2g54 s PHE 459 Cb -0.13 -2.63 0.17 0.00 -0.34 0.00 0.00 43.02 40.09 2g54 s PHE 459 CO 0.03 -0.17 0.45 1.03 -1.46 0.00 0.00 175.22 175.10 2g54 s ARG 460 N 1.89 2.02 0.53 10.12 1.81 -1.26 -4.92 118.95 129.14 2g54 s ARG 460 Ca 0.19 -3.00 0.24 0.00 -1.72 0.00 0.00 55.73 51.45 2g54 s ARG 460 Cb -0.15 -2.85 1.47 0.00 -0.45 0.00 0.00 34.95 32.96 2g54 s ARG 460 CO 0.09 -1.32 2.13 -1.00 -0.68 0.00 0.00 175.30 174.52 2g54 h PRO 461 N 5.46 0.00 -0.31 3.54 0.13 -1.96 -1.66 132.00 137.19 2g54 h PRO 461 Ca 0.18 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 2g54 h PRO 461 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 2g54 h PRO 461 CO 0.62 0.08 -0.29 0.38 -0.23 0.00 0.00 178.00 178.56 2g54 h ASP 462 N 0.00 0.66 0.04 1.44 -0.00 -1.99 -1.66 116.42 114.91 2g54 h ASP 462 Ca -0.00 -0.25 -0.27 0.00 -0.00 0.00 0.00 57.03 56.50 2g54 h ASP 462 Cb 0.18 -0.18 0.02 0.00 -0.00 0.00 0.00 39.33 39.35 2g54 h ASP 462 CO 0.01 0.92 -1.09 -0.07 -0.00 0.00 0.00 179.24 179.01 2g54 h LEU 463 N 0.56 0.90 -0.52 0.15 3.38 -1.75 -2.27 115.31 115.76 2g54 h LEU 463 Ca 0.07 -0.74 0.02 0.00 0.09 0.00 0.00 57.88 57.32 2g54 h LEU 463 Cb 0.77 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2g54 h LEU 463 CO 0.06 1.55 0.31 0.40 0.09 0.00 0.00 178.44 180.85 2g54 h ILE 464 N 0.37 1.06 -0.47 1.22 2.04 -1.27 -1.16 117.51 119.30 2g54 h ILE 464 Ca -0.14 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.40 2g54 h ILE 464 Cb 1.74 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2g54 h ILE 464 CO 0.21 0.11 -0.13 -0.33 0.00 0.00 0.00 178.15 178.01 2g54 h GLU 465 N 0.62 0.89 -0.43 2.37 4.39 -1.35 -1.43 114.58 119.63 2g54 h GLU 465 Ca 0.20 -0.32 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2g54 h GLU 465 Cb 0.01 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.57 2g54 h GLU 465 CO -0.09 0.96 0.27 1.98 -1.16 0.00 0.00 179.01 180.97 2g54 h MET 466 N 0.79 0.53 -0.34 2.33 4.05 -0.78 -0.51 114.93 121.00 2g54 h MET 466 Ca 0.12 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.36 2g54 h MET 466 Cb 0.66 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2g54 h MET 466 CO 0.05 0.35 -0.41 0.28 0.23 0.00 0.00 176.91 177.40 2g54 h VAL 467 N 0.54 1.28 0.00 -5.77 2.07 -1.12 -2.82 116.25 110.44 2g54 h VAL 467 Ca 0.17 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 2g54 h VAL 467 Cb -0.02 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2g54 h VAL 467 CO -0.06 0.52 -0.05 -0.07 0.02 0.00 0.00 177.57 177.93 2g54 h LEU 468 N 0.68 0.00 -0.96 2.57 3.38 -0.90 -1.32 115.31 118.76 2g54 h LEU 468 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2g54 h LEU 468 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2g54 h LEU 468 CO 0.10 0.05 0.00 -0.78 0.09 0.00 0.00 178.44 177.90 2g54 h ASP 469 N 0.00 0.00 0.99 -0.43 3.58 -0.83 -2.50 116.42 117.24 2g54 h ASP 469 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2g54 h ASP 469 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2g54 h ASP 469 CO 0.01 0.00 -0.82 0.11 -2.88 0.00 0.00 179.24 175.65 2g54 h LYS 470 N 0.00 0.00 -3.54 0.28 1.79 -1.28 -3.40 116.57 110.42 2g54 h LYS 470 Ca 0.00 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.74 2g54 h LYS 470 Cb 0.42 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.98 2g54 h LYS 470 CO 0.00 0.00 2.68 1.28 -1.08 0.00 0.00 179.45 182.33 2g54 n LEU 471 N -2.50 7.11 -4.32 2.94 4.77 -0.94 -4.78 117.00 119.29 2g54 n LEU 471 Ca 0.01 -4.45 -0.22 0.00 -0.03 0.00 0.00 56.01 51.32 2g54 n LEU 471 Cb 0.51 -1.54 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 2g54 n LEU 471 CO 0.38 1.43 -0.49 -0.13 -1.33 0.00 0.00 177.39 177.25 2g54 s ARG 472 N 1.47 1.22 0.43 3.23 0.52 -1.26 -5.03 118.95 119.53 2g54 s ARG 472 Ca 0.47 -1.33 0.19 0.00 -0.52 0.00 0.00 55.73 54.54 2g54 s ARG 472 Cb 0.13 -1.33 1.14 0.00 0.52 0.00 0.00 34.95 35.41 2g54 s ARG 472 CO -0.05 0.28 1.86 -1.35 0.02 0.00 0.00 175.30 176.06 2g54 h PRO 473 N 3.49 0.34 0.00 3.54 0.11 -1.90 -1.23 132.00 136.34 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 0.48 0.23 0.00 -0.85 -0.21 0.00 0.00 178.00 177.64 2g54 n GLU 474 N -4.49 0.72 -0.21 1.05 0.00 -1.26 -2.83 120.64 113.62 2g54 n GLU 474 Ca 0.19 0.01 0.07 0.00 0.00 0.00 0.00 57.16 57.44 2g54 n GLU 474 Cb 0.73 -1.50 0.11 0.00 0.00 0.00 0.00 31.44 30.78 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 -1.05 1.75 -4.93 -1.84 5.03 -0.47 -4.52 115.26 109.22 2g54 n ASN 475 Ca 0.18 -2.85 -0.28 0.00 0.87 0.00 0.00 54.58 52.50 2g54 n ASN 475 Cb 0.11 -0.38 -0.03 0.00 -1.02 0.00 0.00 39.78 38.46 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 -2.18 5.35 -0.06 2.41 0.11 -1.13 -4.11 120.40 120.79 2g54 s VAL 476 Ca 0.25 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 2g54 s VAL 476 Cb 0.22 -3.70 0.01 0.00 -1.53 0.00 0.00 36.38 31.39 2g54 s VAL 476 CO 0.02 0.00 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.54 2g54 s ARG 477 N -2.94 1.67 -0.07 1.54 0.52 -0.23 -0.07 118.95 119.37 2g54 s ARG 477 Ca 0.35 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2g54 s ARG 477 Cb -0.12 -1.39 0.00 0.00 0.52 0.00 0.00 34.95 33.97 2g54 s ARG 477 CO 0.28 0.03 -0.18 0.54 0.02 0.00 0.00 175.30 175.99 2g54 s VAL 478 N 0.65 1.57 -0.05 3.52 0.11 -0.47 -0.86 120.40 124.86 2g54 s VAL 478 Ca -0.14 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 2g54 s VAL 478 Cb -0.16 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 2g54 s VAL 478 CO 0.04 0.45 -0.15 0.00 -3.33 0.00 0.00 175.10 172.11 2g54 s ALA 479 N 0.41 1.38 -0.11 1.54 0.00 0.16 -0.40 121.76 124.75 2g54 s ALA 479 Ca -0.14 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.30 2g54 s ALA 479 Cb -0.16 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 2g54 s ALA 479 CO 0.06 0.19 -0.22 0.42 0.00 0.00 0.00 175.76 176.20 2g54 s ILE 480 N 0.34 2.19 -0.24 0.00 1.01 0.82 -0.03 121.20 125.30 2g54 s ILE 480 Ca -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.55 2g54 s ILE 480 Cb -0.13 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.49 2g54 s ILE 480 CO 0.03 0.55 -0.02 -0.69 0.00 0.00 0.00 174.94 174.81 2g54 s VAL 481 N 0.36 3.38 -0.18 2.92 1.01 0.42 -0.22 120.40 128.09 2g54 s VAL 481 Ca -0.18 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 2g54 s VAL 481 Cb -0.18 -2.61 0.09 0.00 0.00 0.00 0.00 36.38 33.68 2g54 s VAL 481 CO 0.08 0.32 0.80 -0.55 0.00 0.00 0.00 175.10 175.75 2g54 s SER 482 N 1.45 -0.61 0.55 3.32 0.15 -0.45 -1.83 113.70 116.29 2g54 s SER 482 Ca 0.04 0.93 0.33 0.00 0.70 0.00 0.00 55.95 57.95 2g54 s SER 482 Cb -0.15 0.86 1.52 0.00 -1.71 0.00 0.00 66.02 66.54 2g54 s SER 482 CO -0.03 -0.37 2.05 0.11 1.20 0.00 0.00 173.24 176.20 2g54 h LYS 483 N 3.77 0.00 0.00 5.44 1.79 -1.83 -2.66 116.57 123.08 2g54 h LYS 483 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2g54 h LYS 483 Cb 1.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2g54 h LYS 483 CO 0.22 0.05 0.00 -1.13 -1.08 0.00 0.00 179.45 177.51 2g54 n SER 484 N -3.23 0.37 -0.55 0.86 3.41 -1.26 -0.60 113.62 112.61 2g54 n SER 484 Ca -0.01 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2g54 n SER 484 Cb 0.27 -0.72 0.43 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.99 0.13 -1.76 7.33 0.99 -1.00 -4.87 117.46 116.28 2g54 n PHE 485 Ca -0.01 -0.06 -0.42 0.00 -0.00 0.00 0.00 57.45 56.96 2g54 n PHE 485 Cb 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.49 2g54 n PHE 485 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2g54 s GLU 486 N -1.87 4.15 0.00 -1.08 2.12 0.23 -1.17 118.70 121.07 2g54 s GLU 486 Ca 0.35 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.18 2g54 s GLU 486 Cb 0.19 -4.08 0.00 0.00 0.26 0.00 0.00 34.13 30.50 2g54 s GLU 486 CO 0.30 -0.92 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 2g54 n GLY 487 N 4.42 0.97 0.59 -1.50 0.00 -1.26 -4.87 105.19 103.53 2g54 n GLY 487 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 2.50 -3.89 1.61 4.01 -0.32 -5.01 118.16 115.07 2g54 n LYS 488 Ca 0.00 -1.90 -0.29 0.00 -0.51 0.00 0.00 58.31 55.61 2g54 n LYS 488 Cb 0.00 -1.25 -0.04 0.00 -0.51 0.00 0.00 35.03 33.23 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 -0.98 5.33 -0.01 -0.18 -4.23 -1.23 -4.85 115.64 109.49 2g54 s THR 489 Ca 0.21 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2g54 s THR 489 Cb 0.11 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.30 2g54 s THR 489 CO 0.15 0.02 0.86 -0.90 -0.54 0.00 0.00 174.62 174.22 2g54 n ASP 490 N -0.11 1.36 -4.22 3.99 5.68 -1.17 -4.95 116.55 117.14 2g54 n ASP 490 Ca -0.05 -1.79 -0.12 0.00 -0.50 0.00 0.00 54.79 52.32 2g54 n ASP 490 Cb 0.52 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.81 1.01 -0.06 0.11 0.52 -0.62 -5.04 118.95 114.06 2g54 s ARG 491 Ca 0.03 -1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 53.75 2g54 s ARG 491 Cb 0.02 -0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.29 2g54 s ARG 491 CO 0.00 -0.09 0.13 0.99 0.02 0.00 0.00 175.30 176.35 2g54 s THR 492 N -3.65 -0.07 -0.20 0.02 2.01 -1.26 -2.40 115.64 110.09 2g54 s THR 492 Ca 0.20 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 62.13 2g54 s THR 492 Cb 0.06 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.35 2g54 s THR 492 CO 0.01 0.08 0.96 -0.70 -0.69 0.00 0.00 174.62 174.28 2g54 s GLU 493 N 1.25 4.28 0.24 4.92 -6.30 -0.06 -4.90 118.70 118.13 2g54 s GLU 493 Ca -0.08 1.22 -0.05 0.00 -2.50 0.00 0.00 54.97 53.56 2g54 s GLU 493 Cb -0.12 -3.61 0.35 0.00 0.00 0.00 0.00 34.13 30.75 2g54 s GLU 493 CO -0.05 -0.50 1.83 1.05 0.02 0.00 0.00 175.26 177.61 2g54 h GLU 494 N 7.41 0.87 0.00 4.30 4.11 -1.95 0.87 114.58 130.18 2g54 h GLU 494 Ca -0.24 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.02 2g54 h GLU 494 Cb 1.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 2g54 h GLU 494 CO 0.91 0.58 -0.58 -1.49 0.07 0.00 0.00 179.01 178.50 2g54 h TRP 495 N 0.90 0.00 0.00 2.06 4.06 -1.99 -3.35 115.95 117.62 2g54 h TRP 495 Ca 0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.33 2g54 h TRP 495 Cb 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2g54 h TRP 495 CO -0.04 0.58 -0.38 0.66 -3.56 0.00 0.00 178.44 175.70 2g54 n TYR 496 N -3.74 0.00 -1.00 0.49 4.02 -1.18 -5.01 117.16 110.75 2g54 n TYR 496 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2g54 n TYR 496 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 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 1.49 0.43 3.72 2.72 0.00 0.30 -4.93 105.19 108.92 2g54 n GLY 497 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.00 0.06 -3.46 2.61 -1.04 -1.21 -4.59 114.28 103.66 2g54 n THR 498 Ca 0.00 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.62 2g54 n THR 498 Cb 0.00 -1.98 -0.08 0.00 -1.82 0.00 0.00 70.33 66.45 2g54 n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2g54 s GLN 499 N 1.07 4.14 0.28 -2.82 -0.21 -1.26 -0.88 119.66 119.98 2g54 s GLN 499 Ca 0.74 0.07 -0.13 0.00 0.02 0.00 0.00 55.36 56.06 2g54 s GLN 499 Cb -0.51 -3.54 0.01 0.00 1.00 0.00 0.00 33.01 29.97 2g54 s GLN 499 CO 0.33 -0.02 0.55 1.52 -2.12 0.00 0.00 175.29 175.55 2g54 s TYR 500 N 1.27 0.36 -0.01 0.91 1.13 -1.01 -1.55 117.35 118.44 2g54 s TYR 500 Ca 0.16 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 55.08 2g54 s TYR 500 Cb -0.14 0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 41.02 2g54 s TYR 500 CO 0.07 -1.12 -0.06 0.21 -2.51 0.00 0.00 175.55 172.14 2g54 s LYS 501 N -3.65 0.52 -0.10 -3.49 2.20 -0.17 -1.59 119.74 113.46 2g54 s LYS 501 Ca 0.21 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.63 2g54 s LYS 501 Cb -0.02 -0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 35.77 2g54 s LYS 501 CO 0.11 0.11 -0.13 -1.14 -0.36 0.00 0.00 175.35 173.93 2g54 s GLN 502 N -0.03 3.09 0.04 4.03 0.74 -1.26 -0.75 119.66 125.51 2g54 s GLN 502 Ca 0.01 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.74 2g54 s GLN 502 Cb -0.04 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.50 2g54 s GLN 502 CO -0.00 0.36 -0.04 -1.21 -0.55 0.00 0.00 175.29 173.84 2g54 s GLU 503 N -0.02 0.47 0.15 1.67 2.02 0.27 -4.99 118.70 118.26 2g54 s GLU 503 Ca -0.03 -0.87 -0.19 0.00 0.02 0.00 0.00 54.97 53.90 2g54 s GLU 503 Cb -0.14 0.05 -0.07 0.00 0.10 0.00 0.00 34.13 34.07 2g54 s GLU 503 CO 0.04 -0.05 0.64 0.00 0.02 0.00 0.00 175.26 175.91 2g54 s ALA 504 N -2.34 3.52 -0.10 5.21 0.00 -1.26 0.57 121.76 127.35 2g54 s ALA 504 Ca -0.06 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.68 2g54 s ALA 504 Cb -0.04 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 2g54 s ALA 504 CO -0.04 0.38 1.11 0.42 0.00 0.00 0.00 175.76 177.63 2g54 s ILE 505 N -1.32 4.52 0.29 0.00 1.01 -0.95 -4.82 121.20 119.93 2g54 s ILE 505 Ca 0.36 1.82 -0.29 0.00 0.00 0.00 0.00 60.65 62.54 2g54 s ILE 505 Cb -0.18 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 37.98 2g54 s ILE 505 CO 0.21 -0.03 1.19 -0.81 0.00 0.00 0.00 174.94 175.50 2g54 n PRO 506 N 5.36 1.73 -0.12 2.79 -0.04 -1.26 -4.80 135.00 138.65 2g54 n PRO 506 Ca 0.10 0.61 0.19 0.00 -0.04 0.00 0.00 63.50 64.37 2g54 n PRO 506 Cb 0.47 -2.12 0.60 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.73 0.21 0.10 3.54 3.32 -1.99 -1.36 116.42 122.96 2g54 h ASP 507 Ca -0.43 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.49 2g54 h ASP 507 Cb 1.31 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2g54 h ASP 507 CO 0.65 0.10 -0.52 1.05 -1.72 0.00 0.00 179.24 178.81 2g54 h GLU 508 N 0.22 0.46 -0.46 3.56 4.11 -1.98 0.48 114.58 120.97 2g54 h GLU 508 Ca 0.35 -0.28 -0.06 0.00 0.07 0.00 0.00 59.36 59.45 2g54 h GLU 508 Cb 1.07 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2g54 h GLU 508 CO -0.07 0.87 0.07 0.28 0.07 0.00 0.00 179.01 180.22 2g54 h VAL 509 N 0.36 1.25 -0.70 -1.06 2.07 -1.61 0.79 116.25 117.35 2g54 h VAL 509 Ca 0.01 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2g54 h VAL 509 Cb 1.03 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2g54 h VAL 509 CO 0.09 0.32 0.37 0.40 0.02 0.00 0.00 177.57 178.77 2g54 h ILE 510 N 0.64 1.22 0.29 4.57 1.08 -1.27 -2.18 117.51 121.85 2g54 h ILE 510 Ca 0.14 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2g54 h ILE 510 Cb 0.40 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2g54 h ILE 510 CO 0.01 0.25 -0.28 0.50 -0.69 0.00 0.00 178.15 177.94 2g54 h LYS 511 N 0.96 -0.57 -0.91 2.37 1.63 -0.36 0.12 116.57 119.82 2g54 h LYS 511 Ca 0.24 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.21 2g54 h LYS 511 Cb 0.06 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.75 2g54 h LYS 511 CO -0.04 -0.38 0.58 0.87 -3.45 0.00 0.00 179.45 177.04 2g54 h LYS 512 N -0.59 0.76 -0.28 1.90 1.57 -0.64 -0.25 116.57 119.04 2g54 h LYS 512 Ca -0.01 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 2g54 h LYS 512 Cb 0.54 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2g54 h LYS 512 CO -0.05 0.50 -0.51 -1.49 -0.57 0.00 0.00 179.45 177.33 2g54 h TRP 513 N 0.78 1.01 0.00 -1.35 6.55 -0.95 -2.94 115.95 119.06 2g54 h TRP 513 Ca 0.45 -0.34 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 2g54 h TRP 513 Cb 0.62 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.72 2g54 h TRP 513 CO -0.00 1.15 -0.12 1.96 -1.05 0.00 0.00 178.44 180.38 2g54 h GLN 514 N 0.63 0.00 -0.93 0.49 4.20 0.69 -1.92 115.11 118.27 2g54 h GLN 514 Ca 0.02 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.41 2g54 h GLN 514 Cb 1.10 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.69 2g54 h GLN 514 CO 0.11 0.12 0.41 0.09 -0.67 0.00 0.00 178.83 178.89 2g54 n ASN 515 N -4.03 3.81 -4.69 1.46 3.02 -0.45 -4.96 115.26 109.43 2g54 n ASN 515 Ca -0.02 -3.14 -0.42 0.00 -0.03 0.00 0.00 54.58 50.96 2g54 n ASN 515 Cb 0.20 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 2g54 n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g54 s ALA 516 N -2.52 3.70 0.44 5.41 0.00 -0.72 -5.00 121.76 123.06 2g54 s ALA 516 Ca 0.44 1.25 0.07 0.00 0.00 0.00 0.00 51.96 53.73 2g54 s ALA 516 Cb 0.36 -3.71 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 2g54 s ALA 516 CO 0.09 -1.13 0.36 0.16 0.00 0.00 0.00 175.76 175.24 2g54 s ASP 517 N 2.48 4.90 0.18 0.00 3.84 -1.26 -4.87 116.67 121.93 2g54 s ASP 517 Ca 0.75 -0.87 -0.31 0.00 -0.00 0.00 0.00 52.55 52.12 2g54 s ASP 517 Cb -0.41 -0.40 -0.10 0.00 -1.38 0.00 0.00 42.92 40.63 2g54 s ASP 517 CO 0.33 -0.71 1.51 -0.76 -0.00 0.00 0.00 175.17 175.53 2g54 s LEU 518 N -4.13 4.37 -0.22 2.11 1.43 -1.26 -4.72 118.68 116.27 2g54 s LEU 518 Ca 0.46 2.59 -0.07 0.00 -1.03 0.00 0.00 54.13 56.07 2g54 s LEU 518 Cb -0.02 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2g54 s LEU 518 CO 0.26 -0.77 0.07 0.21 0.23 0.00 0.00 176.35 176.35 2g54 s ASN 519 N 0.94 5.35 0.39 2.29 3.84 -1.26 -4.99 114.94 121.50 2g54 s ASN 519 Ca 0.66 -0.08 0.27 0.00 0.21 0.00 0.00 52.86 53.92 2g54 s ASN 519 Cb -0.42 -1.94 1.41 0.00 -0.55 0.00 0.00 41.25 39.75 2g54 s ASN 519 CO 0.34 0.06 1.82 1.23 -2.79 0.00 0.00 177.10 177.76 2g54 h GLY 520 N 7.56 0.00 2.00 1.21 0.00 -2.01 -1.70 103.07 110.13 2g54 h GLY 520 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2g54 h GLY 520 CO 0.62 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.66 2g54 h LYS 521 N 0.00 0.00 -5.12 4.80 1.79 -1.95 -3.43 116.57 112.65 2g54 h LYS 521 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 2g54 h LYS 521 Cb 0.06 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.56 2g54 h LYS 521 CO 0.00 0.00 -0.25 -0.06 -1.08 0.00 0.00 179.45 178.06 2g54 s PHE 522 N -3.33 3.24 0.01 -1.35 2.99 -0.64 -4.59 117.98 114.31 2g54 s PHE 522 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 56.93 57.33 2g54 s PHE 522 Cb 0.07 -2.59 -0.01 0.00 0.00 0.00 0.00 43.02 40.48 2g54 s PHE 522 CO 0.63 -0.26 -0.03 0.15 -0.00 0.00 0.00 175.22 175.71 2g54 s LYS 523 N 2.06 0.24 0.77 0.44 1.02 -0.32 -4.88 119.74 119.07 2g54 s LYS 523 Ca 0.14 -0.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.61 2g54 s LYS 523 Cb -0.16 -0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.19 2g54 s LYS 523 CO 0.10 -0.01 1.18 -0.51 -0.92 0.00 0.00 175.35 175.19 2g54 s LEU 524 N -0.87 3.18 0.93 3.17 1.02 -1.26 -4.19 118.68 120.66 2g54 s LEU 524 Ca -0.08 2.24 -0.11 0.00 0.02 0.00 0.00 54.13 56.20 2g54 s LEU 524 Cb -0.06 -4.57 0.15 0.00 0.02 0.00 0.00 46.19 41.73 2g54 s LEU 524 CO -0.00 -2.40 1.10 -2.84 0.02 0.00 0.00 176.35 172.22 2g54 s PRO 525 N -4.19 0.95 0.45 1.29 0.02 -1.26 -4.93 135.00 127.33 2g54 s PRO 525 Ca 0.71 1.17 0.07 0.00 0.02 0.00 0.00 61.00 62.98 2g54 s PRO 525 Cb -0.26 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2g54 s PRO 525 CO 0.49 -2.55 0.43 0.95 -0.33 0.00 0.00 177.00 175.99 2g54 s THR 526 N -2.73 2.46 0.18 0.99 -4.23 -1.26 -5.04 115.64 106.00 2g54 s THR 526 Ca 0.65 -1.32 -0.32 0.00 -1.18 0.00 0.00 61.69 59.53 2g54 s THR 526 Cb -0.21 -2.78 -0.16 0.00 1.34 0.00 0.00 72.50 70.69 2g54 s THR 526 CO 0.59 0.00 0.98 1.17 -0.54 0.00 0.00 174.62 176.82 2g54 n LYS 527 N -1.67 0.79 -2.59 3.99 3.00 -1.26 -4.83 118.16 115.59 2g54 n LYS 527 Ca 0.04 0.28 -0.41 0.00 -0.00 0.00 0.00 58.31 58.22 2g54 n LYS 527 Cb 0.62 -1.65 -0.03 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.32 6.27 0.03 3.14 3.84 -1.26 -4.86 114.94 121.79 2g54 s ASN 528 Ca 0.71 -0.83 0.11 0.00 0.21 0.00 0.00 52.86 53.06 2g54 s ASN 528 Cb -0.90 -2.55 0.48 0.00 -0.55 0.00 0.00 41.25 37.74 2g54 s ASN 528 CO 0.55 -1.69 1.35 -0.62 -2.79 0.00 0.00 177.10 173.90 2g54 n GLU 529 N 9.02 0.02 0.00 0.43 -0.58 -1.26 -2.31 120.64 125.96 2g54 n GLU 529 Ca 0.12 0.35 0.14 0.00 -0.42 0.00 0.00 57.16 57.34 2g54 n GLU 529 Cb 0.49 -1.54 0.52 0.00 -0.57 0.00 0.00 31.44 30.34 2g54 n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2g54 n PHE 530 N -1.58 0.00 -1.68 -0.32 3.01 -1.26 -4.89 117.46 110.75 2g54 n PHE 530 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 2g54 n PHE 530 Cb 0.12 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.58 0.50 -2.32 4.37 5.41 -0.98 -4.83 119.36 120.94 2g54 n ILE 531 Ca 0.15 -0.09 -0.36 0.00 1.00 0.00 0.00 62.75 63.45 2g54 n ILE 531 Cb 0.31 -2.14 -0.01 0.00 -0.71 0.00 0.00 39.64 37.09 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 3.35 3.77 0.00 0.38 0.04 -1.26 -4.95 135.00 136.32 2g54 s PRO 532 Ca 0.85 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2g54 s PRO 532 Cb -0.49 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2g54 s PRO 532 CO 0.40 -0.52 0.00 0.25 0.04 0.00 0.00 177.00 177.17 2g54 n THR 533 N -0.57 0.00 -3.43 1.26 -2.24 -1.26 -5.00 114.28 103.04 2g54 n THR 533 Ca 0.08 -0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 2g54 n THR 533 Cb 0.49 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.67 6.07 -0.08 3.42 2.47 -1.26 -4.89 114.94 119.99 2g54 s ASN 534 Ca 0.00 -1.32 0.12 0.00 0.42 0.00 0.00 52.86 52.08 2g54 s ASN 534 Cb 0.00 -2.15 0.32 0.00 -1.45 0.00 0.00 41.25 37.97 2g54 s ASN 534 CO 0.00 -0.61 1.24 0.49 -3.72 0.00 0.00 177.10 174.50 2g54 n PHE 535 N 5.16 0.44 -1.92 0.43 3.01 -1.26 -4.43 117.46 118.89 2g54 n PHE 535 Ca -0.12 -0.72 -0.41 0.00 1.01 0.00 0.00 57.45 57.21 2g54 n PHE 535 Cb 0.44 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 2g54 n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2g54 s GLU 536 N -1.95 4.21 -0.34 -1.08 -1.05 -1.26 -4.59 118.70 112.64 2g54 s GLU 536 Ca 0.27 2.42 -0.17 0.00 -0.15 0.00 0.00 54.97 57.33 2g54 s GLU 536 Cb 0.20 -3.04 -0.01 0.00 -0.44 0.00 0.00 34.13 30.84 2g54 s GLU 536 CO 0.08 -0.45 0.47 0.42 0.95 0.00 0.00 175.26 176.73 2g54 s ILE 537 N -0.52 5.06 0.39 1.83 -1.09 -1.26 -4.89 121.20 120.71 2g54 s ILE 537 Ca 0.56 0.34 -0.28 0.00 -2.23 0.00 0.00 60.65 59.05 2g54 s ILE 537 Cb -0.44 -3.91 -0.11 0.00 -1.58 0.00 0.00 42.46 36.42 2g54 s ILE 537 CO 0.52 -0.14 1.48 0.18 -1.23 0.00 0.00 174.94 175.74 2g54 n LEU 538 N 5.63 4.80 -4.76 2.97 7.99 -1.26 -4.93 117.00 127.43 2g54 n LEU 538 Ca -0.06 1.22 -0.38 0.00 -0.01 0.00 0.00 56.01 56.77 2g54 n LEU 538 Cb 0.49 -1.62 0.00 0.00 -0.11 0.00 0.00 43.42 42.19 2g54 n LEU 538 CO 0.43 0.11 0.92 -2.16 -1.51 0.00 0.00 177.39 175.18 2g54 s PRO 539 N -2.14 3.73 -0.02 3.23 0.04 -1.26 -4.89 135.00 133.69 2g54 s PRO 539 Ca 0.54 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 2g54 s PRO 539 Cb -0.47 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 2g54 s PRO 539 CO 0.63 -0.65 1.93 -1.17 0.04 0.00 0.00 177.00 177.79 2g54 s LEU 540 N -2.85 4.28 0.66 -3.56 2.96 -1.26 -4.93 118.68 113.98 2g54 s LEU 540 Ca 0.62 2.47 -0.17 0.00 -0.22 0.00 0.00 54.13 56.83 2g54 s LEU 540 Cb -0.35 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.81 2g54 s LEU 540 CO 0.44 -1.15 1.24 -1.61 -1.32 0.00 0.00 176.35 173.95 2g54 s GLU 541 N 4.63 2.53 0.46 1.98 2.02 -1.26 -4.92 118.70 124.13 2g54 s GLU 541 Ca 0.87 1.89 0.12 0.00 0.02 0.00 0.00 54.97 57.86 2g54 s GLU 541 Cb -0.39 -1.86 1.04 0.00 0.10 0.00 0.00 34.13 33.01 2g54 s GLU 541 CO 0.38 -1.57 2.08 -0.22 0.02 0.00 0.00 175.26 175.95 2g54 h LYS 542 N 0.34 0.32 -0.64 1.61 3.64 -2.05 -2.00 116.57 117.78 2g54 h LYS 542 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2g54 h LYS 542 Cb 1.31 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2g54 h LYS 542 CO 0.52 0.21 0.00 0.39 -2.27 0.00 0.00 179.45 178.30 2g54 n GLU 543 N -4.49 3.76 -1.72 1.90 4.71 -1.26 -4.98 120.64 118.55 2g54 n GLU 543 Ca 0.02 -2.66 -0.42 0.00 -0.01 0.00 0.00 57.16 54.09 2g54 n GLU 543 Cb 0.13 -1.93 -0.01 0.00 -1.01 0.00 0.00 31.44 28.62 2g54 n GLU 543 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2g54 n ALA 544 N 0.89 1.76 -2.61 0.62 0.00 -0.76 -5.01 120.51 115.41 2g54 n ALA 544 Ca 0.24 0.36 -0.24 0.00 0.00 0.00 0.00 53.44 53.80 2g54 n ALA 544 Cb 0.90 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.93 2g54 n ALA 544 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2g54 s THR 545 N -0.84 3.29 0.22 0.00 -4.23 -1.26 -5.05 115.64 107.78 2g54 s THR 545 Ca 0.57 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2g54 s THR 545 Cb -0.54 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2g54 s THR 545 CO 0.59 -0.30 1.60 -0.65 -0.54 0.00 0.00 174.62 175.32 2g54 h PRO 546 N 2.21 0.60 -5.67 3.99 0.11 -1.96 -3.45 132.00 127.83 2g54 h PRO 546 Ca -0.45 -0.29 -0.60 0.00 0.11 0.00 0.00 66.00 64.78 2g54 h PRO 546 Cb 1.24 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 2g54 h PRO 546 CO 0.59 0.88 -0.63 0.71 -0.21 0.00 0.00 178.00 179.33 2g54 s TYR 547 N -4.31 2.37 0.43 0.65 2.02 -1.26 -5.07 117.35 112.18 2g54 s TYR 547 Ca -0.08 -0.66 -0.26 0.00 -0.37 0.00 0.00 57.07 55.71 2g54 s TYR 547 Cb 0.12 -1.54 -0.09 0.00 -0.40 0.00 0.00 41.96 40.05 2g54 s TYR 547 CO 0.83 0.42 1.39 -2.30 -1.57 0.00 0.00 175.55 174.32 2g54 n PRO 548 N -0.85 2.20 -4.82 -1.71 -0.02 -1.26 -4.84 135.00 123.70 2g54 n PRO 548 Ca -0.05 0.78 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 2g54 n PRO 548 Cb 0.66 -2.56 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 -1.19 2.53 -0.55 3.55 0.00 -0.21 -4.82 121.76 121.08 2g54 s ALA 549 Ca 0.60 -1.13 -0.28 0.00 0.00 0.00 0.00 51.96 51.14 2g54 s ALA 549 Cb -0.47 -0.76 0.03 0.00 0.00 0.00 0.00 23.12 21.92 2g54 s ALA 549 CO 0.58 0.56 1.18 -1.17 0.00 0.00 0.00 175.76 176.92 2g54 s LEU 550 N -1.14 3.51 0.00 0.00 2.96 -1.26 -0.86 118.68 121.88 2g54 s LEU 550 Ca 0.13 0.23 0.18 0.00 -0.22 0.00 0.00 54.13 54.45 2g54 s LEU 550 Cb -0.10 -3.29 0.08 0.00 0.50 0.00 0.00 46.19 43.38 2g54 s LEU 550 CO 0.03 -1.42 1.00 2.30 -1.32 0.00 0.00 176.35 176.94 2g54 n ILE 551 N 6.74 0.00 -3.67 6.68 -5.35 -0.06 -3.32 119.36 120.37 2g54 n ILE 551 Ca 0.10 -0.43 -0.09 0.00 -0.27 0.00 0.00 62.75 62.06 2g54 n ILE 551 Cb 0.49 1.30 -0.09 0.00 -1.74 0.00 0.00 39.64 39.60 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 -1.69 0.42 -0.45 6.28 2.20 -1.20 -4.85 119.74 120.44 2g54 s LYS 552 Ca 0.18 0.98 0.05 0.00 -0.36 0.00 0.00 55.97 56.81 2g54 s LYS 552 Cb 0.14 0.19 0.18 0.00 -1.51 0.00 0.00 37.83 36.83 2g54 s LYS 552 CO 0.31 -0.19 0.39 -3.47 -0.36 0.00 0.00 175.35 172.02 2g54 n ASP 553 N 4.76 0.10 -4.69 1.43 2.03 -1.25 -0.68 116.55 118.24 2g54 n ASP 553 Ca -0.17 -2.53 -0.26 0.00 0.52 0.00 0.00 54.79 52.36 2g54 n ASP 553 Cb 0.53 -0.59 -0.09 0.00 -0.72 0.00 0.00 41.12 40.26 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 -0.31 2.25 0.43 5.18 -4.23 -0.01 -5.02 115.64 113.92 2g54 s THR 554 Ca 0.32 -1.81 0.14 0.00 -1.18 0.00 0.00 61.69 59.17 2g54 s THR 554 Cb 0.04 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 71.06 2g54 s THR 554 CO -0.18 -0.02 1.95 0.00 -0.54 0.00 0.00 174.62 175.83 2g54 h ALA 555 N 1.56 1.61 0.14 3.99 0.00 -1.99 -2.87 119.26 121.70 2g54 h ALA 555 Ca -0.43 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 53.97 2g54 h ALA 555 Cb 1.25 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.03 2g54 h ALA 555 CO 0.73 0.29 -1.28 1.98 0.00 0.00 0.00 179.25 180.96 2g54 h MET 556 N 0.00 0.58 -2.93 0.00 1.85 -1.90 -3.38 114.93 109.16 2g54 h MET 556 Ca -0.00 -0.81 -0.07 0.00 -0.61 0.00 0.00 59.70 58.20 2g54 h MET 556 Cb 0.41 0.28 -0.17 0.00 0.43 0.00 0.00 31.60 32.55 2g54 h MET 556 CO 0.03 1.37 -0.06 -1.54 -0.40 0.00 0.00 176.91 176.31 2g54 s SER 557 N -7.43 -0.34 -0.18 1.39 1.04 -1.08 -0.23 113.70 106.87 2g54 s SER 557 Ca -0.09 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2g54 s SER 557 Cb 0.06 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2g54 s SER 557 CO 0.93 -0.68 -0.14 -0.75 0.98 0.00 0.00 173.24 173.58 2g54 s LYS 558 N -2.41 2.38 -0.26 4.02 2.20 0.20 -0.83 119.74 125.04 2g54 s LYS 558 Ca -0.06 -0.76 -0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2g54 s LYS 558 Cb -0.01 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 2g54 s LYS 558 CO -0.02 -0.31 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.48 2g54 s LEU 559 N 1.39 3.35 -0.15 5.43 2.96 0.15 -1.06 118.68 130.74 2g54 s LEU 559 Ca 0.02 -0.76 -0.09 0.00 -0.22 0.00 0.00 54.13 53.07 2g54 s LEU 559 Cb -0.14 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2g54 s LEU 559 CO -0.10 -0.13 0.16 0.26 -1.32 0.00 0.00 176.35 175.22 2g54 s TRP 560 N 1.40 3.52 -0.01 5.38 0.52 -0.15 -0.88 118.94 128.71 2g54 s TRP 560 Ca 0.02 0.48 -0.01 0.00 0.02 0.00 0.00 56.10 56.60 2g54 s TRP 560 Cb -0.16 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.07 2g54 s TRP 560 CO -0.02 0.51 0.03 0.12 0.02 0.00 0.00 176.95 177.61 2g54 s PHE 561 N -0.33 -0.00 -0.17 -1.98 5.36 -0.04 -1.38 117.98 119.43 2g54 s PHE 561 Ca 0.13 0.02 -0.07 0.00 -0.96 0.00 0.00 56.93 56.05 2g54 s PHE 561 Cb -0.12 -0.01 0.07 0.00 -0.34 0.00 0.00 43.02 42.62 2g54 s PHE 561 CO 0.02 -0.05 0.37 0.21 -1.46 0.00 0.00 175.22 174.31 2g54 s LYS 562 N -0.20 0.29 0.02 10.12 2.20 -0.89 -1.05 119.74 130.23 2g54 s LYS 562 Ca -0.02 0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 56.17 2g54 s LYS 562 Cb -0.02 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2g54 s LYS 562 CO -0.00 -0.22 0.86 -1.14 -0.36 0.00 0.00 175.35 174.49 2g54 s GLN 563 N 2.09 4.55 0.16 4.03 0.74 -1.26 -2.40 119.66 127.57 2g54 s GLN 563 Ca -0.04 1.22 -0.34 0.00 0.05 0.00 0.00 55.36 56.25 2g54 s GLN 563 Cb -0.11 -3.41 -0.15 0.00 1.10 0.00 0.00 33.01 30.44 2g54 s GLN 563 CO -0.11 0.12 1.45 -3.47 -0.55 0.00 0.00 175.29 172.73 2g54 n ASP 564 N 3.32 2.54 -0.49 6.67 2.03 0.27 -4.85 116.55 126.04 2g54 n ASP 564 Ca 0.01 1.11 0.06 0.00 0.52 0.00 0.00 54.79 56.49 2g54 n ASP 564 Cb 0.50 -1.36 0.11 0.00 -0.72 0.00 0.00 41.12 39.66 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 2.80 1.49 0.00 1.67 3.85 -1.26 -4.84 116.55 120.25 2g54 n ASP 565 Ca 0.16 -2.89 0.00 0.00 -0.71 0.00 0.00 54.79 51.34 2g54 n ASP 565 Cb 0.27 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 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 -0.78 0.40 -0.01 0.11 2.85 -1.26 -4.97 118.16 114.50 2g54 n LYS 566 Ca 0.12 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.22 2g54 n LYS 566 Cb 0.73 -0.08 -0.14 0.00 -0.65 0.00 0.00 35.03 34.89 2g54 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2g54 n PHE 567 N -0.30 1.08 -3.84 5.58 3.01 -1.26 -5.00 117.46 116.73 2g54 n PHE 567 Ca 0.00 0.29 -0.26 0.00 1.01 0.00 0.00 57.45 58.49 2g54 n PHE 567 Cb 0.00 -1.16 0.02 0.00 -0.01 0.00 0.00 39.48 38.32 2g54 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2g54 n PHE 568 N -3.27 -1.98 -4.32 1.38 3.01 -1.26 -5.00 117.46 106.01 2g54 n PHE 568 Ca -0.26 0.84 -0.29 0.00 1.01 0.00 0.00 57.45 58.75 2g54 n PHE 568 Cb 1.05 -4.07 -0.12 0.00 -0.01 0.00 0.00 39.48 36.33 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 -6.95 2.64 -0.81 4.37 1.43 -1.26 -5.00 118.68 113.10 2g54 s LEU 569 Ca 0.25 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2g54 s LEU 569 Cb -0.12 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2g54 s LEU 569 CO 0.84 0.17 2.11 -0.81 0.23 0.00 0.00 176.35 178.89 2g54 n PRO 570 N 0.74 1.96 -4.17 1.29 -0.04 -1.26 -4.52 135.00 128.99 2g54 n PRO 570 Ca -0.16 -1.35 -0.11 0.00 -0.04 0.00 0.00 63.50 61.85 2g54 n PRO 570 Cb 0.53 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 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 3.25 0.88 0.03 0.54 1.02 -1.26 -2.27 119.74 121.93 2g54 s LYS 571 Ca 0.39 -1.38 -0.18 0.00 0.02 0.00 0.00 55.97 54.82 2g54 s LYS 571 Cb 0.11 -0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2g54 s LYS 571 CO -0.03 -0.10 0.39 0.00 -0.92 0.00 0.00 175.35 174.69 2g54 s ALA 572 N -3.75 -0.96 -0.17 5.17 0.00 -0.24 -0.54 121.76 121.26 2g54 s ALA 572 Ca 0.16 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.46 2g54 s ALA 572 Cb 0.06 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.47 2g54 s ALA 572 CO -0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 175.76 175.13 2g54 s LEU 574 N 1.14 4.07 -0.11 0.00 1.43 0.62 -0.64 118.68 125.19 2g54 s LEU 574 Ca 0.01 -1.51 -0.01 0.00 -1.03 0.00 0.00 54.13 51.59 2g54 s LEU 574 Cb -0.14 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2g54 s LEU 574 CO -0.09 -0.30 -0.06 0.20 0.23 0.00 0.00 176.35 176.33 2g54 s ASN 575 N 1.25 4.63 -0.01 2.29 0.02 -0.09 -0.95 114.94 122.09 2g54 s ASN 575 Ca -0.02 -0.10 0.03 0.00 -1.02 0.00 0.00 52.86 51.75 2g54 s ASN 575 Cb -0.20 -1.48 -0.01 0.00 0.02 0.00 0.00 41.25 39.58 2g54 s ASN 575 CO -0.03 0.26 -0.11 -0.36 0.02 0.00 0.00 177.10 176.88 2g54 s PHE 576 N -0.18 0.98 -0.22 2.20 0.40 0.44 -0.57 117.98 121.03 2g54 s PHE 576 Ca 0.02 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 2g54 s PHE 576 Cb -0.13 -0.63 0.04 0.00 0.51 0.00 0.00 43.02 42.81 2g54 s PHE 576 CO 0.03 -0.02 -0.13 -2.00 0.70 0.00 0.00 175.22 173.80 2g54 s GLU 577 N -0.28 2.32 -0.30 0.44 2.12 0.46 -1.70 118.70 121.75 2g54 s GLU 577 Ca 0.04 -1.01 -0.13 0.00 0.36 0.00 0.00 54.97 54.22 2g54 s GLU 577 Cb -0.04 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 2g54 s GLU 577 CO -0.00 -0.43 0.29 -0.06 -0.54 0.00 0.00 175.26 174.52 2g54 s PHE 578 N 1.27 3.23 -0.15 5.30 0.40 -0.06 -1.29 117.98 126.67 2g54 s PHE 578 Ca -0.02 0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 2g54 s PHE 578 Cb -0.17 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 2g54 s PHE 578 CO -0.08 -0.27 0.31 -0.06 0.70 0.00 0.00 175.22 175.82 2g54 s PHE 579 N 1.90 3.47 -0.27 0.36 0.40 0.58 -0.97 117.98 123.46 2g54 s PHE 579 Ca 0.10 0.64 -0.15 0.00 -0.60 0.00 0.00 56.93 56.92 2g54 s PHE 579 Cb -0.16 -2.36 0.08 0.00 0.51 0.00 0.00 43.02 41.09 2g54 s PHE 579 CO 0.11 0.25 0.65 0.45 0.70 0.00 0.00 175.22 177.37 2g54 s SER 580 N 0.43 -0.90 0.52 1.36 0.15 -0.33 -2.95 113.70 111.99 2g54 s SER 580 Ca 0.18 1.44 0.29 0.00 0.70 0.00 0.00 55.95 58.55 2g54 s SER 580 Cb -0.13 1.36 1.38 0.00 -1.71 0.00 0.00 66.02 66.92 2g54 s SER 580 CO 0.05 -0.23 2.02 -0.65 1.20 0.00 0.00 173.24 175.62 2g54 h PRO 581 N 7.08 0.00 0.00 5.44 0.11 -1.89 -3.09 132.00 139.65 2g54 h PRO 581 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2g54 h PRO 581 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2g54 h PRO 581 CO 0.17 0.12 0.00 1.19 -0.21 0.00 0.00 178.00 179.27 2g54 n PHE 582 N -3.43 0.00 0.11 0.65 3.01 -1.26 -2.08 117.46 114.46 2g54 n PHE 582 Ca -0.01 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.53 2g54 n PHE 582 Cb 0.29 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.77 2g54 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2g54 h ALA 583 N 3.59 0.65 0.00 4.37 0.00 -1.83 -3.39 119.26 122.65 2g54 h ALA 583 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2g54 h ALA 583 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2g54 h ALA 583 CO 0.00 0.28 -0.17 0.98 0.00 0.00 0.00 179.25 180.34 2g54 n TYR 584 N -2.87 0.00 -0.31 0.00 4.19 -1.19 -3.31 117.16 113.67 2g54 n TYR 584 Ca -0.01 -0.05 0.08 0.00 3.31 0.00 0.00 57.90 61.23 2g54 n TYR 584 Cb 0.63 -0.02 0.24 0.00 0.49 0.00 0.00 39.34 40.68 2g54 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2g54 h VAL 585 N 4.10 0.73 -3.59 2.97 3.04 -1.62 -3.45 116.25 118.43 2g54 h VAL 585 Ca 0.00 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 65.42 2g54 h VAL 585 Cb 1.11 0.01 -0.09 0.00 -2.01 0.00 0.00 31.29 30.31 2g54 h VAL 585 CO 0.00 0.12 -0.09 1.51 -1.01 0.00 0.00 177.57 178.11 2g54 s ASP 586 N -5.44 -0.11 0.24 3.17 1.47 -1.26 -5.05 116.67 109.70 2g54 s ASP 586 Ca -0.12 -0.90 -0.05 0.00 1.18 0.00 0.00 52.55 52.66 2g54 s ASP 586 Cb 0.22 0.60 0.44 0.00 -0.34 0.00 0.00 42.92 43.85 2g54 s ASP 586 CO 0.79 -1.16 1.71 -0.65 0.68 0.00 0.00 175.17 176.54 2g54 h PRO 587 N 2.23 0.36 -0.17 2.11 0.11 -1.91 -1.67 132.00 133.05 2g54 h PRO 587 Ca -0.25 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.86 2g54 h PRO 587 Cb 1.25 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2g54 h PRO 587 CO 0.34 0.24 -0.01 1.25 -0.21 0.00 0.00 178.00 179.60 2g54 h LEU 588 N 0.37 -0.09 -1.26 2.35 5.85 -1.89 -1.03 115.31 119.60 2g54 h LEU 588 Ca 0.40 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 59.09 2g54 h LEU 588 Cb 0.64 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2g54 h LEU 588 CO -0.44 -0.02 -0.37 0.45 -0.34 0.00 0.00 178.44 177.72 2g54 h HIS 589 N 0.04 0.00 -0.43 1.25 3.86 -1.75 -0.82 115.15 117.29 2g54 h HIS 589 Ca 0.08 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 2g54 h HIS 589 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2g54 h HIS 589 CO -0.17 0.37 -0.17 0.00 0.86 0.00 0.00 177.93 178.82 2g54 h ASN 591 N 0.71 1.04 -0.13 0.00 2.35 -0.57 -1.71 115.58 117.28 2g54 h ASN 591 Ca 0.10 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2g54 h ASN 591 Cb 0.73 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 2g54 h ASN 591 CO 0.06 0.92 -0.56 0.24 -1.65 0.00 0.00 177.43 176.43 2g54 h MET 592 N 1.11 0.72 -0.33 0.81 2.86 -0.92 -0.05 114.93 119.13 2g54 h MET 592 Ca 0.26 -0.47 0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2g54 h MET 592 Cb 0.19 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2g54 h MET 592 CO -0.02 1.09 0.18 0.00 1.06 0.00 0.00 176.91 179.21 2g54 h ALA 593 N 0.81 0.41 0.58 6.32 0.00 -0.67 0.24 119.26 126.95 2g54 h ALA 593 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2g54 h ALA 593 Cb 1.15 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.87 2g54 h ALA 593 CO 0.12 -0.19 -0.28 -0.92 0.00 0.00 0.00 179.25 177.98 2g54 h TYR 594 N 0.37 -0.72 -0.53 0.00 3.20 -1.19 -2.62 116.97 115.47 2g54 h TYR 594 Ca 0.13 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.08 2g54 h TYR 594 Cb 0.03 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 2g54 h TYR 594 CO -0.09 -0.42 0.14 -0.07 -1.64 0.00 0.00 178.16 176.08 2g54 h LEU 595 N -0.85 0.07 0.02 2.82 4.07 -0.80 0.40 115.31 121.03 2g54 h LEU 595 Ca -0.08 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.00 2g54 h LEU 595 Cb 0.63 0.11 -0.05 0.00 1.08 0.00 0.00 40.66 42.42 2g54 h LEU 595 CO 0.13 0.06 -0.37 0.22 -1.08 0.00 0.00 178.44 177.40 2g54 h TYR 596 N 0.29 -1.04 -0.29 1.13 3.20 -0.48 0.33 116.97 120.11 2g54 h TYR 596 Ca 0.27 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 2g54 h TYR 596 Cb 0.36 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 2g54 h TYR 596 CO -0.21 -0.46 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.69 2g54 h LEU 597 N -0.54 0.46 -0.53 2.82 4.07 -1.08 -0.26 115.31 120.25 2g54 h LEU 597 Ca 0.05 -0.11 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 2g54 h LEU 597 Cb 0.61 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 2g54 h LEU 597 CO -0.28 0.60 -0.20 -0.08 -1.08 0.00 0.00 178.44 177.40 2g54 h GLU 598 N 0.45 0.98 -0.35 1.13 4.57 -0.33 -0.92 114.58 120.11 2g54 h GLU 598 Ca 0.09 -0.41 -0.11 0.00 -1.18 0.00 0.00 59.36 57.75 2g54 h GLU 598 Cb 0.44 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2g54 h GLU 598 CO 0.02 1.08 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.62 2g54 h LEU 599 N 0.85 0.72 0.02 1.64 -0.00 0.09 -2.05 115.31 116.57 2g54 h LEU 599 Ca 0.11 -0.26 -0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2g54 h LEU 599 Cb 0.77 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2g54 h LEU 599 CO 0.06 0.94 -0.01 0.25 -0.00 0.00 0.00 178.44 179.68 2g54 h LEU 600 N 0.61 -0.03 -0.94 1.67 5.85 -0.76 -1.54 115.31 120.18 2g54 h LEU 600 Ca 0.08 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2g54 h LEU 600 Cb 0.74 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2g54 h LEU 600 CO 0.06 0.19 0.49 0.11 -0.34 0.00 0.00 178.44 178.95 2g54 h LYS 601 N -0.25 1.24 -0.15 1.25 1.57 -1.14 -0.96 116.57 118.13 2g54 h LYS 601 Ca -0.00 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 2g54 h LYS 601 Cb 0.23 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2g54 h LYS 601 CO 0.01 0.90 -0.07 0.22 -0.57 0.00 0.00 179.45 179.94 2g54 h ASP 602 N 1.25 0.21 0.39 0.86 1.82 -1.26 -0.46 116.42 119.22 2g54 h ASP 602 Ca 0.32 -0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.73 2g54 h ASP 602 Cb 0.02 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2g54 h ASP 602 CO -0.05 0.31 -0.82 -1.28 -1.61 0.00 0.00 179.24 175.78 2g54 h SER 603 N 0.22 0.41 0.64 2.28 0.87 -0.19 -3.26 113.55 114.53 2g54 h SER 603 Ca 0.05 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2g54 h SER 603 Cb 0.26 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2g54 h SER 603 CO 0.01 1.07 -0.56 0.18 -0.53 0.00 0.00 176.83 177.00 2g54 n LEU 604 N -3.76 0.56 -0.24 2.23 4.77 -0.48 -4.56 117.00 115.52 2g54 n LEU 604 Ca -0.05 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2g54 n LEU 604 Cb 0.77 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2g54 n LEU 604 CO 0.49 0.05 0.52 -1.13 -1.33 0.00 0.00 177.39 175.98 2g54 h ASN 605 N 0.00 -1.82 -0.71 -1.43 -0.73 -1.13 0.44 115.58 110.19 2g54 h ASN 605 Ca 0.00 0.27 0.14 0.00 1.87 0.00 0.00 56.30 58.58 2g54 h ASN 605 Cb 0.60 0.79 -0.10 0.00 0.27 0.00 0.00 38.32 39.89 2g54 h ASN 605 CO 0.00 -0.34 0.23 -0.08 -0.37 0.00 0.00 177.43 176.87 2g54 h GLU 606 N -0.24 0.35 -0.03 6.67 4.81 -1.82 0.12 114.58 124.45 2g54 h GLU 606 Ca 0.14 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.11 2g54 h GLU 606 Cb 0.54 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2g54 h GLU 606 CO -0.72 0.23 -0.93 -0.92 -0.73 0.00 0.00 179.01 175.93 2g54 h TYR 607 N 0.36 0.81 0.00 0.92 3.20 -1.61 -3.30 116.97 117.35 2g54 h TYR 607 Ca 0.39 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2g54 h TYR 607 Cb 0.61 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2g54 h TYR 607 CO -0.21 1.24 0.00 0.00 -1.64 0.00 0.00 178.16 177.55 2g54 h ALA 608 N 0.63 1.00 -0.67 1.82 0.00 0.66 -3.30 119.26 119.40 2g54 h ALA 608 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2g54 h ALA 608 Cb 1.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2g54 h ALA 608 CO 0.17 0.00 0.38 -0.92 0.00 0.00 0.00 179.25 178.88 2g54 h TYR 609 N 0.00 0.91 -1.01 0.00 3.20 -0.87 -0.88 116.97 118.31 2g54 h TYR 609 Ca 0.00 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.89 2g54 h TYR 609 Cb 0.80 -0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 2g54 h TYR 609 CO 0.00 0.64 0.66 0.00 -1.64 0.00 0.00 178.16 177.82 2g54 h ALA 610 N 1.19 1.33 -0.52 1.82 0.00 -1.76 -0.84 119.26 120.48 2g54 h ALA 610 Ca 0.24 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2g54 h ALA 610 Cb 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2g54 h ALA 610 CO -0.04 0.57 -0.14 0.00 0.00 0.00 0.00 179.25 179.64 2g54 h ALA 611 N 1.41 0.78 -0.54 0.00 0.00 -1.57 -1.92 119.26 117.41 2g54 h ALA 611 Ca 0.40 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2g54 h ALA 611 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2g54 h ALA 611 CO -0.12 0.67 0.33 1.49 0.00 0.00 0.00 179.25 181.61 2g54 h GLU 612 N 0.88 0.73 -0.44 0.00 4.57 -0.27 0.22 114.58 120.26 2g54 h GLU 612 Ca 0.13 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 2g54 h GLU 612 Cb 0.70 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2g54 h GLU 612 CO 0.05 0.52 0.11 -0.07 -1.18 0.00 0.00 179.01 178.45 2g54 h LEU 613 N 0.72 0.60 -1.81 1.64 3.38 -1.00 -2.10 115.31 116.73 2g54 h LEU 613 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2g54 h LEU 613 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2g54 h LEU 613 CO -0.04 0.60 0.04 0.00 0.09 0.00 0.00 178.44 179.13 2g54 n ALA 614 N -2.47 2.91 -2.62 1.53 0.00 -0.74 -4.85 120.51 114.28 2g54 n ALA 614 Ca 0.03 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.85 2g54 n ALA 614 Cb 0.20 -1.05 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 0.14 -0.14 2.74 0.00 0.00 -0.79 -4.63 105.19 102.51 2g54 n GLY 615 Ca 0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.40 1.65 0.40 0.99 0.20 0.69 -2.68 118.68 115.53 2g54 s LEU 616 Ca 0.14 -1.18 0.04 0.00 0.69 0.00 0.00 54.13 53.82 2g54 s LEU 616 Cb -0.06 -0.73 -0.05 0.00 -0.43 0.00 0.00 46.19 44.91 2g54 s LEU 616 CO 0.18 -0.35 0.05 -0.94 -0.29 0.00 0.00 176.35 175.00 2g54 s SER 617 N 1.74 3.19 0.10 3.68 1.04 -0.87 -2.17 113.70 120.42 2g54 s SER 617 Ca 0.03 -1.48 -0.14 0.00 0.48 0.00 0.00 55.95 54.84 2g54 s SER 617 Cb -0.17 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.01 2g54 s SER 617 CO -0.16 -0.67 0.33 -0.72 0.98 0.00 0.00 173.24 173.00 2g54 s TYR 618 N -3.04 -0.09 -0.05 5.02 -0.85 -1.26 -1.82 117.35 115.26 2g54 s TYR 618 Ca 0.28 -0.23 0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2g54 s TYR 618 Cb 0.07 0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.57 2g54 s TYR 618 CO 0.14 -0.63 -0.09 0.34 -1.52 0.00 0.00 175.55 173.79 2g54 s ASP 619 N -2.71 1.35 -0.06 -0.18 2.15 0.88 -4.96 116.67 113.15 2g54 s ASP 619 Ca 0.02 -0.21 -0.02 0.00 0.43 0.00 0.00 52.55 52.77 2g54 s ASP 619 Cb 0.02 -0.58 0.03 0.00 -0.30 0.00 0.00 42.92 42.10 2g54 s ASP 619 CO -0.10 0.01 0.04 -0.22 -0.17 0.00 0.00 175.17 174.73 2g54 s LEU 620 N 0.63 0.31 0.08 -1.34 2.96 -1.26 -0.76 118.68 119.30 2g54 s LEU 620 Ca -0.11 -0.00 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 2g54 s LEU 620 Cb -0.14 -0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.32 2g54 s LEU 620 CO 0.02 -0.23 0.35 0.00 -1.32 0.00 0.00 176.35 175.17 2g54 s GLN 621 N 2.10 0.94 0.37 1.98 -2.07 -0.61 -4.92 119.66 117.46 2g54 s GLN 621 Ca 0.05 -0.61 -0.13 0.00 -1.82 0.00 0.00 55.36 52.84 2g54 s GLN 621 Cb -0.12 0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 32.13 2g54 s GLN 621 CO -0.04 -0.33 0.77 0.54 -1.32 0.00 0.00 175.29 174.91 2g54 s ASN 622 N -2.45 6.65 0.40 12.60 2.20 -1.26 -0.49 114.94 132.59 2g54 s ASN 622 Ca -0.01 1.23 0.04 0.00 -0.94 0.00 0.00 52.86 53.19 2g54 s ASN 622 Cb 0.01 -2.36 -0.02 0.00 -2.00 0.00 0.00 41.25 36.88 2g54 s ASN 622 CO -0.08 -0.32 0.15 0.42 -2.94 0.00 0.00 177.10 174.33 2g54 s THR 623 N -2.21 0.50 -1.35 0.54 -4.23 -0.18 -4.85 115.64 103.86 2g54 s THR 623 Ca 0.53 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.25 2g54 s THR 623 Cb -0.10 -2.35 0.33 0.00 1.34 0.00 0.00 72.50 71.71 2g54 s THR 623 CO 0.25 0.00 1.67 2.30 -0.54 0.00 0.00 174.62 178.29 2g54 n ILE 624 N -0.88 0.40 0.01 2.99 -5.35 -1.26 -2.88 119.36 112.39 2g54 n ILE 624 Ca -0.04 0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 2g54 n ILE 624 Cb 0.65 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 -1.33 0.00 0.00 4.28 0.53 -1.26 -4.57 117.16 114.82 2g54 n TYR 625 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.97 2g54 n TYR 625 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.49 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 0.18 0.17 3.06 2.72 0.00 -1.14 -1.19 105.19 108.99 2g54 n GLY 626 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 0.53 -0.05 1.61 -1.94 -0.14 -1.01 119.30 118.29 2g54 s MET 627 Ca 0.00 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 52.95 2g54 s MET 627 Cb 0.00 0.18 0.01 0.00 2.01 0.00 0.00 34.83 37.04 2g54 s MET 627 CO 0.00 -0.09 -0.10 -0.47 -0.01 0.00 0.00 175.02 174.35 2g54 s TYR 628 N -3.22 1.19 -0.03 -0.03 5.04 0.36 -0.88 117.35 119.77 2g54 s TYR 628 Ca 0.00 -0.40 0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2g54 s TYR 628 Cb 0.03 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.44 2g54 s TYR 628 CO -0.07 -0.23 -0.08 -1.17 -1.34 0.00 0.00 175.55 172.66 2g54 s LEU 629 N 0.66 1.72 -0.04 6.97 0.20 -0.69 -1.57 118.68 125.94 2g54 s LEU 629 Ca -0.12 -0.18 -0.01 0.00 0.69 0.00 0.00 54.13 54.51 2g54 s LEU 629 Cb -0.15 -0.53 0.03 0.00 -0.43 0.00 0.00 46.19 45.12 2g54 s LEU 629 CO 0.02 0.05 0.08 -0.55 -0.29 0.00 0.00 176.35 175.66 2g54 s SER 630 N 0.30 0.05 -0.10 3.68 0.15 0.06 -0.42 113.70 117.43 2g54 s SER 630 Ca -0.05 0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.79 2g54 s SER 630 Cb -0.09 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2g54 s SER 630 CO 0.01 -0.14 -0.22 -0.69 1.20 0.00 0.00 173.24 173.39 2g54 s VAL 631 N 1.19 1.95 0.11 4.45 1.01 -0.12 -0.09 120.40 128.91 2g54 s VAL 631 Ca -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 2g54 s VAL 631 Cb -0.12 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2g54 s VAL 631 CO -0.04 0.54 0.13 -1.59 0.00 0.00 0.00 175.10 174.13 2g54 s LYS 632 N 0.42 0.90 0.00 2.72 -2.85 -0.76 -0.27 119.74 119.91 2g54 s LYS 632 Ca -0.17 -1.21 0.00 0.00 -1.00 0.00 0.00 55.97 53.59 2g54 s LYS 632 Cb -0.18 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 2g54 s LYS 632 CO 0.07 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.66 2g54 n GLY 633 N -0.08 0.60 3.72 0.59 0.00 -1.10 -2.05 105.19 106.87 2g54 n GLY 633 Ca -0.10 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 1.45 2.70 0.17 1.61 4.01 -1.09 -1.08 117.16 124.93 2g54 n TYR 634 Ca 0.00 0.15 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 2g54 n TYR 634 Cb 0.00 -2.63 0.30 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 5.96 0.02 -0.28 7.72 -1.07 -1.73 -3.36 115.58 122.84 2g54 h ASN 635 Ca -0.45 -0.01 0.03 0.00 0.07 0.00 0.00 56.30 55.94 2g54 h ASN 635 Cb 1.22 -0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 37.43 2g54 h ASN 635 CO 0.89 0.45 -0.16 -0.67 0.07 0.00 0.00 177.43 178.00 2g54 n ASP 636 N -4.03 -0.29 -1.26 6.14 4.64 -1.26 -2.13 116.55 118.36 2g54 n ASP 636 Ca -0.02 0.86 0.09 0.00 -1.38 0.00 0.00 54.79 54.34 2g54 n ASP 636 Cb 0.46 -0.25 0.30 0.00 -1.04 0.00 0.00 41.12 40.59 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 -3.58 3.27 -0.14 -0.67 5.02 -1.26 -4.65 118.16 116.16 2g54 n LYS 637 Ca 0.01 -2.66 -0.05 0.00 -2.02 0.00 0.00 58.31 53.59 2g54 n LYS 637 Cb 0.07 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.43 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 3.42 0.35 -1.01 1.97 4.20 -1.57 -2.32 115.11 120.14 2g54 h GLN 638 Ca 0.00 -0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.94 2g54 h GLN 638 Cb 1.21 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.82 2g54 h GLN 638 CO 0.14 0.23 0.65 -1.35 -0.67 0.00 0.00 178.83 177.83 2g54 h PRO 639 N 0.36 0.40 -0.11 1.46 0.11 -1.82 0.02 132.00 132.42 2g54 h PRO 639 Ca 0.21 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 2g54 h PRO 639 Cb 0.18 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2g54 h PRO 639 CO -0.19 0.27 -0.04 0.82 -0.21 0.00 0.00 178.00 178.65 2g54 h ILE 640 N 0.42 1.30 -0.31 4.15 2.04 -1.77 -1.46 117.51 121.88 2g54 h ILE 640 Ca 0.57 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 2g54 h ILE 640 Cb 1.41 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 2g54 h ILE 640 CO -0.27 0.29 0.07 0.25 0.00 0.00 0.00 178.15 178.49 2g54 h LEU 641 N -0.12 0.47 0.21 1.44 5.85 -1.18 -2.10 115.31 119.88 2g54 h LEU 641 Ca 0.03 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2g54 h LEU 641 Cb 0.46 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2g54 h LEU 641 CO 0.01 0.59 -0.31 0.25 -0.34 0.00 0.00 178.44 178.64 2g54 h LEU 642 N 0.34 -0.86 -0.63 2.25 6.46 -1.04 0.07 115.31 121.90 2g54 h LEU 642 Ca 0.10 0.09 0.11 0.00 -0.12 0.00 0.00 57.88 58.06 2g54 h LEU 642 Cb 0.30 0.31 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 2g54 h LEU 642 CO 0.00 -0.42 0.19 0.50 -0.62 0.00 0.00 178.44 178.10 2g54 h LYS 643 N -0.58 0.33 -0.78 1.25 1.63 -1.26 -0.78 116.57 116.38 2g54 h LYS 643 Ca 0.01 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2g54 h LYS 643 Cb 0.57 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 2g54 h LYS 643 CO -0.13 0.22 0.51 -0.22 -3.45 0.00 0.00 179.45 176.38 2g54 h LYS 644 N 0.34 0.98 -0.09 1.90 1.63 -0.75 -0.45 116.57 120.13 2g54 h LYS 644 Ca 0.33 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 2g54 h LYS 644 Cb 0.47 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2g54 h LYS 644 CO -0.37 0.65 0.01 0.82 -3.45 0.00 0.00 179.45 177.11 2g54 h ILE 645 N 1.01 1.22 -0.27 2.00 2.04 0.35 -1.29 117.51 122.58 2g54 h ILE 645 Ca 0.30 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2g54 h ILE 645 Cb -0.06 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2g54 h ILE 645 CO -0.09 0.19 0.10 0.40 0.00 0.00 0.00 178.15 178.75 2g54 h ILE 646 N -0.08 1.19 -0.25 -0.67 1.08 -1.09 0.75 117.51 118.43 2g54 h ILE 646 Ca 0.03 -0.58 0.04 0.00 -0.39 0.00 0.00 64.86 63.96 2g54 h ILE 646 Cb 0.29 1.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.07 2g54 h ILE 646 CO 0.00 0.19 0.01 -0.08 -0.69 0.00 0.00 178.15 177.59 2g54 h GLU 647 N 0.27 0.09 -0.94 2.37 4.81 -1.09 -0.57 114.58 119.53 2g54 h GLU 647 Ca 0.09 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2g54 h GLU 647 Cb 0.21 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2g54 h GLU 647 CO -0.00 0.06 0.62 -0.22 -0.73 0.00 0.00 179.01 178.73 2g54 h LYS 648 N 0.09 1.24 -0.50 1.92 1.63 -1.00 -2.59 116.57 117.36 2g54 h LYS 648 Ca 0.12 -0.08 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 2g54 h LYS 648 Cb 0.14 -0.28 -0.03 0.00 -0.60 0.00 0.00 32.23 31.46 2g54 h LYS 648 CO -0.18 0.82 0.29 0.52 -3.45 0.00 0.00 179.45 177.45 2g54 h MET 649 N 1.27 0.57 -0.22 1.90 2.86 0.25 -1.24 114.93 120.32 2g54 h MET 649 Ca 0.34 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2g54 h MET 649 Cb -0.14 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.39 2g54 h MET 649 CO -0.07 0.38 0.00 0.00 1.06 0.00 0.00 176.91 178.27 2g54 n ALA 650 N -2.28 2.48 -2.09 6.32 0.00 -0.33 -3.84 120.51 120.78 2g54 n ALA 650 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 2g54 n ALA 650 Cb 0.08 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.21 0.00 -1.85 0.00 -2.24 -1.02 -4.31 114.28 105.07 2g54 n THR 651 Ca 0.11 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2g54 n THR 651 Cb 0.24 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 2g54 n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2g54 s PHE 652 N 0.00 2.92 -0.25 4.78 5.36 -0.48 -4.98 117.98 125.33 2g54 s PHE 652 Ca 0.06 0.66 0.02 0.00 -0.96 0.00 0.00 56.93 56.71 2g54 s PHE 652 Cb 0.07 -4.01 0.05 0.00 -0.34 0.00 0.00 43.02 38.79 2g54 s PHE 652 CO -0.03 -3.58 -0.11 -1.21 -1.46 0.00 0.00 175.22 168.82 2g54 s GLU 653 N 0.43 2.46 0.04 10.12 2.02 -1.26 -5.10 118.70 127.41 2g54 s GLU 653 Ca 0.68 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2g54 s GLU 653 Cb -0.46 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 2g54 s GLU 653 CO 0.38 -0.49 1.20 0.42 0.02 0.00 0.00 175.26 176.79 2g54 s ILE 654 N 1.17 4.07 -0.25 -1.63 1.01 -1.26 -5.01 121.20 119.31 2g54 s ILE 654 Ca -0.05 1.47 -0.24 0.00 0.00 0.00 0.00 60.65 61.83 2g54 s ILE 654 Cb -0.18 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2g54 s ILE 654 CO -0.06 0.10 0.81 -0.62 0.00 0.00 0.00 174.94 175.17 2g54 s ASP 655 N 1.14 6.80 0.23 3.58 -1.08 -1.26 -4.95 116.67 121.13 2g54 s ASP 655 Ca 0.58 0.98 -0.06 0.00 -0.52 0.00 0.00 52.55 53.54 2g54 s ASP 655 Cb -0.29 -2.43 0.37 0.00 -1.46 0.00 0.00 42.92 39.11 2g54 s ASP 655 CO 0.28 -0.51 1.77 -0.08 0.52 0.00 0.00 175.17 177.15 2g54 h GLU 656 N 7.73 0.56 -0.53 4.34 4.81 -1.99 -0.92 114.58 128.56 2g54 h GLU 656 Ca -0.23 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2g54 h GLU 656 Cb 1.10 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2g54 h GLU 656 CO 0.87 0.37 0.32 -0.22 -0.73 0.00 0.00 179.01 179.62 2g54 h LYS 657 N 0.57 0.73 -0.73 1.92 3.64 -2.01 -2.17 116.57 118.52 2g54 h LYS 657 Ca 0.37 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 2g54 h LYS 657 Cb 0.43 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2g54 h LYS 657 CO -0.30 0.52 0.28 0.00 -2.27 0.00 0.00 179.45 177.68 2g54 h ARG 658 N 0.72 1.09 -0.37 1.90 2.47 -1.78 -2.69 114.38 115.71 2g54 h ARG 658 Ca 0.19 -0.20 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2g54 h ARG 658 Cb -0.01 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.10 2g54 h ARG 658 CO -0.04 0.90 0.22 0.35 0.56 0.00 0.00 179.97 181.96 2g54 h PHE 659 N 1.06 0.42 -0.34 3.04 3.57 -0.76 -0.89 116.94 123.05 2g54 h PHE 659 Ca 0.24 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2g54 h PHE 659 Cb 0.22 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2g54 h PHE 659 CO 0.02 0.25 -0.07 0.93 -2.23 0.00 0.00 178.31 177.21 2g54 h GLU 660 N 0.45 0.65 -0.03 1.11 4.39 -1.27 -0.72 114.58 119.16 2g54 h GLU 660 Ca 0.15 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2g54 h GLU 660 Cb -0.00 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2g54 h GLU 660 CO -0.06 0.81 0.01 0.82 -1.16 0.00 0.00 179.01 179.42 2g54 h ILE 661 N 0.43 1.18 -0.29 3.13 2.04 -1.42 -1.11 117.51 121.48 2g54 h ILE 661 Ca 0.09 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2g54 h ILE 661 Cb 0.56 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2g54 h ILE 661 CO 0.03 0.14 -0.04 0.40 0.00 0.00 0.00 178.15 178.68 2g54 h ILE 662 N -0.17 1.20 -0.45 -0.67 2.04 -1.17 -1.51 117.51 116.77 2g54 h ILE 662 Ca 0.01 -0.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 2g54 h ILE 662 Cb 0.23 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2g54 h ILE 662 CO -0.00 0.27 -0.21 0.50 0.00 0.00 0.00 178.15 178.71 2g54 h LYS 663 N 0.43 0.91 -0.63 2.37 3.64 -0.96 -1.39 116.57 120.94 2g54 h LYS 663 Ca 0.09 -0.37 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 2g54 h LYS 663 Cb 0.36 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2g54 h LYS 663 CO 0.02 1.03 0.08 1.49 -2.27 0.00 0.00 179.45 179.79 2g54 h GLU 664 N 0.79 1.03 -0.22 1.90 4.22 -0.61 -1.81 114.58 119.89 2g54 h GLU 664 Ca 0.11 -0.28 -0.13 0.00 0.08 0.00 0.00 59.36 59.14 2g54 h GLU 664 Cb 0.76 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2g54 h GLU 664 CO 0.06 0.96 -0.42 0.00 -2.18 0.00 0.00 179.01 177.43 2g54 h ALA 665 N 1.11 0.86 -0.51 2.92 0.00 -1.13 -2.58 119.26 119.93 2g54 h ALA 665 Ca 0.19 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2g54 h ALA 665 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2g54 h ALA 665 CO 0.01 0.65 -0.07 -0.92 0.00 0.00 0.00 179.25 178.92 2g54 h TYR 666 N 0.43 1.05 -0.51 0.00 3.20 -0.95 0.47 116.97 120.66 2g54 h TYR 666 Ca 0.03 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.71 2g54 h TYR 666 Cb 0.92 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 2g54 h TYR 666 CO 0.03 0.99 0.32 1.98 -1.64 0.00 0.00 178.16 179.84 2g54 h MET 667 N 0.80 0.62 -0.59 1.82 4.05 -1.27 -0.98 114.93 119.40 2g54 h MET 667 Ca 0.14 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2g54 h MET 667 Cb 0.62 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.25 2g54 h MET 667 CO 0.04 0.41 0.38 -0.09 0.23 0.00 0.00 176.91 177.89 2g54 h ARG 668 N 0.64 0.77 -0.86 0.39 2.43 -1.12 -1.96 114.38 114.67 2g54 h ARG 668 Ca 0.19 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2g54 h ARG 668 Cb -0.03 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 2g54 h ARG 668 CO -0.07 0.52 0.53 1.03 -1.51 0.00 0.00 179.97 180.47 2g54 h SER 669 N 0.79 1.03 -0.24 -3.80 0.87 -0.20 0.77 113.55 112.78 2g54 h SER 669 Ca 0.21 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2g54 h SER 669 Cb -0.08 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 2g54 h SER 669 CO -0.05 0.78 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.95 2g54 h LEU 670 N 1.19 0.42 -0.79 2.23 3.38 -0.83 -3.11 115.31 117.80 2g54 h LEU 670 Ca 0.31 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2g54 h LEU 670 Cb -0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2g54 h LEU 670 CO -0.06 0.64 0.05 0.78 0.09 0.00 0.00 178.44 179.94 2g54 h ASN 671 N 0.19 0.93 0.08 -0.43 2.35 -0.98 -2.96 115.58 114.76 2g54 h ASN 671 Ca 0.07 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2g54 h ASN 671 Cb 0.43 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2g54 h ASN 671 CO 0.01 0.96 0.00 0.59 -1.65 0.00 0.00 177.43 177.34 2g54 n ASN 672 N -4.21 0.33 0.30 5.81 5.03 0.23 -1.72 115.26 121.03 2g54 n ASN 672 Ca 0.03 0.64 0.17 0.00 0.87 0.00 0.00 54.58 56.30 2g54 n ASN 672 Cb 0.30 -0.69 0.95 0.00 -1.02 0.00 0.00 39.78 39.32 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 -0.16 116.94 121.91 2g54 h PHE 673 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2g54 h PHE 673 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2g54 h PHE 673 CO 0.00 0.03 0.00 0.07 -2.23 0.00 0.00 178.31 176.18 2g54 h ARG 674 N 0.00 0.00 -0.01 1.11 0.11 -1.57 -1.75 114.38 112.27 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 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2g54 h ARG 674 CO 0.00 0.00 -0.35 0.00 0.10 0.00 0.00 179.97 179.72 2g54 n ALA 675 N -2.04 3.27 -1.10 0.08 0.00 -0.07 -4.39 120.51 116.26 2g54 n ALA 675 Ca -0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.71 2g54 n ALA 675 Cb 0.18 -1.09 0.13 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.63 1.51 0.65 0.00 0.41 -0.66 -4.88 118.70 113.10 2g54 s GLU 676 Ca 0.20 1.10 -0.16 0.00 -0.41 0.00 0.00 54.97 55.70 2g54 s GLU 676 Cb 0.19 -1.82 -0.00 0.00 -1.78 0.00 0.00 34.13 30.72 2g54 s GLU 676 CO 0.57 -2.15 1.15 -0.65 -0.49 0.00 0.00 175.26 173.70 2g54 s GLN 677 N -4.84 2.73 0.26 1.61 -0.21 -1.26 -4.83 119.66 113.12 2g54 s GLN 677 Ca 0.63 1.59 -0.02 0.00 0.02 0.00 0.00 55.36 57.58 2g54 s GLN 677 Cb -0.19 -1.92 0.51 0.00 1.00 0.00 0.00 33.01 32.41 2g54 s GLN 677 CO 0.57 -1.34 1.74 -1.35 -2.12 0.00 0.00 175.29 172.79 2g54 h PRO 678 N 0.25 0.48 -0.03 2.91 0.11 -1.90 -1.07 132.00 132.76 2g54 h PRO 678 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 2g54 h PRO 678 Cb 1.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2g54 h PRO 678 CO 0.53 0.32 -0.41 1.12 -0.21 0.00 0.00 178.00 179.36 2g54 h HIS 679 N 0.50 0.07 -0.14 0.65 2.07 -1.86 -0.61 115.15 115.83 2g54 h HIS 679 Ca 0.45 -0.02 -0.13 0.00 -2.85 0.00 0.00 60.37 57.82 2g54 h HIS 679 Cb 0.68 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 2g54 h HIS 679 CO -0.14 0.46 -0.49 1.96 -3.07 0.00 0.00 177.93 176.66 2g54 h GLN 680 N 0.05 0.37 -0.30 5.12 1.08 -1.59 -1.93 115.11 117.91 2g54 h GLN 680 Ca 0.00 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 56.93 2g54 h GLN 680 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2g54 h GLN 680 CO 0.06 0.77 -0.06 0.45 -0.95 0.00 0.00 178.83 179.10 2g54 h HIS 681 N 0.29 0.63 -0.42 2.96 3.86 -0.75 -1.54 115.15 120.18 2g54 h HIS 681 Ca 0.01 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2g54 h HIS 681 Cb 0.97 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 29.23 2g54 h HIS 681 CO 0.03 0.74 0.13 0.00 0.86 0.00 0.00 177.93 179.69 2g54 h ALA 682 N 0.80 0.49 -0.78 2.45 0.00 -0.89 0.15 119.26 121.47 2g54 h ALA 682 Ca 0.08 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2g54 h ALA 682 Cb 0.53 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2g54 h ALA 682 CO 0.03 -0.27 0.33 0.52 0.00 0.00 0.00 179.25 179.86 2g54 h MET 683 N 0.28 1.15 0.35 0.00 2.07 -1.29 -1.44 114.93 116.05 2g54 h MET 683 Ca 0.20 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 2g54 h MET 683 Cb 0.21 -0.19 -0.00 0.00 -1.87 0.00 0.00 31.60 29.74 2g54 h MET 683 CO -0.22 0.92 -0.19 -0.92 1.07 0.00 0.00 176.91 177.56 2g54 h TYR 684 N 1.11 -0.50 -0.91 -0.22 3.20 -0.30 -1.87 116.97 117.48 2g54 h TYR 684 Ca 0.26 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 2g54 h TYR 684 Cb 0.18 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 2g54 h TYR 684 CO 0.02 -0.30 0.59 1.88 -1.64 0.00 0.00 178.16 178.70 2g54 h TYR 685 N -0.51 1.11 -0.81 -3.82 0.05 -0.58 -1.96 116.97 110.45 2g54 h TYR 685 Ca -0.04 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2g54 h TYR 685 Cb 0.41 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2g54 h TYR 685 CO -0.07 0.65 0.37 1.25 -1.05 0.00 0.00 178.16 179.31 2g54 h LEU 686 N 1.16 1.08 -0.23 3.88 5.85 -1.12 -0.17 115.31 125.76 2g54 h LEU 686 Ca 0.36 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 2g54 h LEU 686 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 2g54 h LEU 686 CO -0.11 0.93 0.14 -0.09 -0.34 0.00 0.00 178.44 178.96 2g54 h ARG 687 N 1.17 0.31 -0.88 1.25 2.43 -0.82 0.13 114.38 117.97 2g54 h ARG 687 Ca 0.28 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2g54 h ARG 687 Cb 0.15 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2g54 h ARG 687 CO -0.03 0.25 0.49 -0.07 -1.51 0.00 0.00 179.97 179.10 2g54 h LEU 688 N 0.29 1.09 -0.32 3.80 3.38 -1.02 -2.48 115.31 120.05 2g54 h LEU 688 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2g54 h LEU 688 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2g54 h LEU 688 CO -0.02 0.87 -0.02 -0.07 0.09 0.00 0.00 178.44 179.29 2g54 h LEU 689 N 1.23 0.57 -0.07 1.67 4.07 -0.58 -3.30 115.31 118.90 2g54 h LEU 689 Ca 0.31 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2g54 h LEU 689 Cb 0.02 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.60 2g54 h LEU 689 CO -0.05 0.76 -0.35 0.23 -1.08 0.00 0.00 178.44 177.95 2g54 n MET 690 N -4.52 0.14 -3.73 1.13 2.81 -0.01 -4.81 117.12 108.13 2g54 n MET 690 Ca -0.02 -0.07 -0.36 0.00 -1.81 0.00 0.00 57.70 55.44 2g54 n MET 690 Cb 0.28 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.20 2g54 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2g54 s THR 691 N -2.91 5.28 0.22 2.03 2.01 -0.94 -1.04 115.64 120.29 2g54 s THR 691 Ca 0.14 0.15 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2g54 s THR 691 Cb 0.18 -3.44 0.24 0.00 0.01 0.00 0.00 72.50 69.50 2g54 s THR 691 CO 0.63 0.39 1.58 -0.08 -0.69 0.00 0.00 174.62 176.45 2g54 h GLU 692 N 7.16 -0.05 -4.90 4.92 4.81 -1.63 -3.38 114.58 121.51 2g54 h GLU 692 Ca -0.39 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.24 2g54 h GLU 692 Cb 1.16 0.01 -0.34 0.00 0.63 0.00 0.00 28.75 30.22 2g54 h GLU 692 CO 0.69 -0.04 -0.85 0.08 -0.73 0.00 0.00 179.01 178.17 2g54 s VAL 693 N -6.07 1.61 -0.30 0.32 1.01 -1.26 -5.06 120.40 110.65 2g54 s VAL 693 Ca -0.14 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2g54 s VAL 693 Cb 0.20 -1.44 0.15 0.00 0.00 0.00 0.00 36.38 35.30 2g54 s VAL 693 CO 0.72 0.46 0.86 0.00 0.00 0.00 0.00 175.10 177.15 2g54 s ALA 694 N 0.70 -2.47 0.09 5.51 0.00 -1.26 -5.09 121.76 119.24 2g54 s ALA 694 Ca -0.12 2.15 -0.23 0.00 0.00 0.00 0.00 51.96 53.76 2g54 s ALA 694 Cb -0.16 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.93 2g54 s ALA 694 CO 0.03 -0.95 0.70 -1.58 0.00 0.00 0.00 175.76 173.96 2g54 s TRP 695 N 2.62 3.80 0.63 0.00 0.23 -1.26 -5.02 118.94 119.94 2g54 s TRP 695 Ca -0.04 1.44 -0.07 0.00 -2.03 0.00 0.00 56.10 55.40 2g54 s TRP 695 Cb -0.08 -2.70 0.02 0.00 0.03 0.00 0.00 33.47 30.73 2g54 s TRP 695 CO -0.18 0.44 0.96 0.95 0.96 0.00 0.00 176.95 180.08 2g54 s THR 696 N -0.69 3.48 0.38 2.01 -4.23 -1.26 -4.91 115.64 110.43 2g54 s THR 696 Ca 0.34 0.10 0.20 0.00 -1.18 0.00 0.00 61.69 61.16 2g54 s THR 696 Cb -0.21 -3.42 0.21 0.00 1.34 0.00 0.00 72.50 70.42 2g54 s THR 696 CO 0.22 -0.46 1.96 0.11 -0.54 0.00 0.00 174.62 175.91 2g54 h LYS 697 N -0.34 0.00 -0.27 3.99 1.57 -1.97 -1.07 116.57 118.48 2g54 h LYS 697 Ca -0.45 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 2g54 h LYS 697 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 2g54 h LYS 697 CO 0.62 0.22 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.88 2g54 h ASP 698 N 0.00 0.80 -0.54 0.86 3.32 -1.94 -1.97 116.42 116.95 2g54 h ASP 698 Ca -0.00 -0.51 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 2g54 h ASP 698 Cb 0.47 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2g54 h ASP 698 CO 0.03 1.16 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.31 2g54 h GLU 699 N 0.47 1.00 0.37 3.56 5.08 -1.81 -1.99 114.58 121.26 2g54 h GLU 699 Ca 0.03 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2g54 h GLU 699 Cb 0.98 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2g54 h GLU 699 CO 0.09 1.03 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.88 2g54 h LEU 700 N 0.88 -0.42 -1.66 1.33 4.07 -1.18 -1.62 115.31 116.71 2g54 h LEU 700 Ca 0.15 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 2g54 h LEU 700 Cb 0.62 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.47 2g54 h LEU 700 CO 0.04 -0.25 -0.08 0.07 -1.08 0.00 0.00 178.44 177.14 2g54 h LYS 701 N -0.55 0.00 -0.25 1.13 2.10 -1.37 -0.89 116.57 116.74 2g54 h LYS 701 Ca -0.05 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.43 2g54 h LYS 701 Cb 0.41 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2g54 h LYS 701 CO 0.08 0.08 -0.53 1.49 -2.00 0.00 0.00 179.45 178.57 2g54 h GLU 702 N 0.00 0.75 -0.00 0.07 4.81 -1.06 -2.84 114.58 116.30 2g54 h GLU 702 Ca -0.00 -0.46 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2g54 h GLU 702 Cb 0.47 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2g54 h GLU 702 CO 0.01 1.09 -0.18 0.00 -0.73 0.00 0.00 179.01 179.20 2g54 n ALA 703 N -2.55 2.86 0.02 2.92 0.00 -0.64 -3.96 120.51 119.17 2g54 n ALA 703 Ca -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.11 2g54 n ALA 703 Cb 0.61 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.95 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 0.37 0.48 0.00 0.00 5.85 -0.93 -1.99 115.31 119.08 2g54 h LEU 704 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2g54 h LEU 704 Cb 0.43 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2g54 h LEU 704 CO 0.00 0.74 0.00 0.47 -0.34 0.00 0.00 178.44 179.31 2g54 n ASP 705 N -4.11 0.00 -0.37 1.25 8.00 -1.25 -1.85 116.55 118.22 2g54 n ASP 705 Ca -0.01 -0.78 0.10 0.00 0.71 0.00 0.00 54.79 54.81 2g54 n ASP 705 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 2g54 n ASP 705 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2g54 n ASP 706 N -0.90 1.70 -4.56 -2.24 10.43 -0.75 -4.88 116.55 115.34 2g54 n ASP 706 Ca 0.13 -1.35 -0.43 0.00 2.57 0.00 0.00 54.79 55.71 2g54 n ASP 706 Cb 0.06 0.57 -0.05 0.00 1.84 0.00 0.00 41.12 43.54 2g54 n ASP 706 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2g54 s VAL 707 N -2.35 4.66 0.31 2.53 0.11 -0.77 -4.98 120.40 119.90 2g54 s VAL 707 Ca 0.15 0.67 0.08 0.00 -2.93 0.00 0.00 61.98 59.96 2g54 s VAL 707 Cb 0.16 -4.29 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2g54 s VAL 707 CO 0.56 -0.62 0.12 0.42 -3.33 0.00 0.00 175.10 172.25 2g54 s THR 708 N 3.29 3.35 0.16 5.04 -4.23 -1.26 -4.99 115.64 116.99 2g54 s THR 708 Ca 0.32 -1.69 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 2g54 s THR 708 Cb -0.12 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 70.74 2g54 s THR 708 CO 0.21 -0.25 1.75 0.25 -0.54 0.00 0.00 174.62 176.03 2g54 h LEU 709 N 1.61 0.12 -0.63 4.79 5.85 -1.99 -0.38 115.31 124.68 2g54 h LEU 709 Ca -0.44 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2g54 h LEU 709 Cb 1.25 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 2g54 h LEU 709 CO 0.62 0.10 0.35 -0.65 -0.34 0.00 0.00 178.44 178.53 2g54 h PRO 710 N 0.27 0.65 -0.55 5.25 0.11 -1.99 -0.25 132.00 135.48 2g54 h PRO 710 Ca 0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 2g54 h PRO 710 Cb 0.16 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 2g54 h PRO 710 CO -0.18 0.43 0.34 -0.09 -0.21 0.00 0.00 178.00 178.29 2g54 h ARG 711 N 0.67 0.75 -0.63 1.05 9.65 -1.78 -2.13 114.38 121.96 2g54 h ARG 711 Ca 0.27 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 59.03 2g54 h ARG 711 Cb 0.14 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2g54 h ARG 711 CO -0.16 0.53 0.16 1.25 2.80 0.00 0.00 179.97 184.55 2g54 h LEU 712 N 0.75 0.94 -1.44 3.80 6.46 -0.53 -1.39 115.31 123.91 2g54 h LEU 712 Ca 0.20 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2g54 h LEU 712 Cb -0.03 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.64 2g54 h LEU 712 CO -0.04 0.93 -0.09 0.11 -0.62 0.00 0.00 178.44 178.72 2g54 h LYS 713 N 0.92 0.25 0.07 1.25 1.57 -0.78 -2.39 116.57 117.45 2g54 h LYS 713 Ca 0.20 -0.05 -0.24 0.00 -1.87 0.00 0.00 60.65 58.68 2g54 h LYS 713 Cb 0.35 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2g54 h LYS 713 CO 0.00 0.36 -1.10 0.00 -0.57 0.00 0.00 179.45 178.14 2g54 h ALA 714 N 1.67 0.25 0.21 3.86 0.00 -1.11 -3.35 119.26 120.78 2g54 h ALA 714 Ca 0.05 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2g54 h ALA 714 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2g54 h ALA 714 CO 0.02 1.03 -0.10 0.35 0.00 0.00 0.00 179.25 180.55 2g54 h PHE 715 N 0.07 -0.26 -0.34 0.00 3.57 -0.77 -3.23 116.94 115.99 2g54 h PHE 715 Ca -0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.47 2g54 h PHE 715 Cb 1.82 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.56 2g54 h PHE 715 CO 0.04 -0.15 -0.46 0.82 -2.23 0.00 0.00 178.31 176.34 2g54 h ILE 716 N -0.29 0.09 -0.01 1.41 2.04 -1.61 0.31 117.51 119.46 2g54 h ILE 716 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2g54 h ILE 716 Cb 0.22 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2g54 h ILE 716 CO 0.05 0.00 0.01 1.55 0.00 0.00 0.00 178.15 179.75 2g54 h PRO 717 N -0.39 0.00 -0.29 2.37 0.13 -1.74 -1.79 132.00 130.29 2g54 h PRO 717 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 2g54 h PRO 717 Cb 0.60 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 2g54 h PRO 717 CO -0.54 0.00 -0.22 0.37 -0.23 0.00 0.00 178.00 177.38 2g54 h GLN 718 N 0.00 0.66 -0.89 0.86 5.75 -1.18 -1.48 115.11 118.83 2g54 h GLN 718 Ca 0.00 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2g54 h GLN 718 Cb 0.02 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 2g54 h GLN 718 CO -0.00 0.93 0.47 1.25 -2.65 0.00 0.00 178.83 178.83 2g54 h LEU 719 N 0.41 1.13 0.00 -2.39 7.12 -0.16 -2.93 115.31 118.48 2g54 h LEU 719 Ca 0.05 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.95 2g54 h LEU 719 Cb 0.77 -0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 2g54 h LEU 719 CO 0.06 0.92 -0.40 0.18 -0.13 0.00 0.00 178.44 179.07 2g54 n LEU 720 N -4.32 0.48 -0.27 2.25 4.32 -0.88 -4.24 117.00 114.33 2g54 n LEU 720 Ca 0.09 0.21 0.02 0.00 -0.02 0.00 0.00 56.01 56.31 2g54 n LEU 720 Cb 0.11 -0.29 0.15 0.00 -1.62 0.00 0.00 43.42 41.77 2g54 n LEU 720 CO 0.39 0.03 1.11 0.77 -1.22 0.00 0.00 177.39 178.46 2g54 h SER 721 N 0.00 0.57 -3.35 -1.43 4.64 -1.07 -3.38 113.55 109.54 2g54 h SER 721 Ca 0.00 0.05 -0.46 0.00 -0.47 0.00 0.00 61.79 60.92 2g54 h SER 721 Cb 0.59 -0.05 -0.35 0.00 -0.31 0.00 0.00 62.40 62.27 2g54 h SER 721 CO 0.00 0.33 -0.78 -0.60 -0.87 0.00 0.00 176.83 174.90 2g54 s ARG 722 N -6.05 1.07 0.17 4.77 3.52 -1.26 0.24 118.95 121.41 2g54 s ARG 722 Ca -0.12 -0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.22 2g54 s ARG 722 Cb 0.19 -1.11 0.00 0.00 -1.56 0.00 0.00 34.95 32.47 2g54 s ARG 722 CO 0.77 -0.15 0.35 -0.51 -0.81 0.00 0.00 175.30 174.95 2g54 s LEU 723 N 1.26 0.72 -0.02 -0.88 1.43 -0.55 -4.75 118.68 115.89 2g54 s LEU 723 Ca -0.05 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2g54 s LEU 723 Cb -0.14 1.48 0.00 0.00 0.03 0.00 0.00 46.19 47.56 2g54 s LEU 723 CO -0.02 -0.92 -0.05 -2.28 0.23 0.00 0.00 176.35 173.30 2g54 s HIS 724 N -3.93 0.61 -0.12 0.29 5.65 -1.15 -1.98 115.29 114.66 2g54 s HIS 724 Ca 0.13 -0.13 0.03 0.00 0.25 0.00 0.00 55.06 55.35 2g54 s HIS 724 Cb 0.02 -0.46 0.01 0.00 -1.18 0.00 0.00 32.58 30.97 2g54 s HIS 724 CO -0.02 -0.07 -0.23 0.42 -0.65 0.00 0.00 174.74 174.19 2g54 s ILE 725 N 0.22 2.04 -0.21 0.89 1.01 0.68 -0.30 121.20 125.52 2g54 s ILE 725 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2g54 s ILE 725 Cb -0.07 -1.79 0.03 0.00 0.01 0.00 0.00 42.46 40.65 2g54 s ILE 725 CO -0.00 0.55 -0.16 -0.70 0.00 0.00 0.00 174.94 174.63 2g54 s GLU 726 N 0.61 2.76 0.26 2.79 2.12 -0.42 0.62 118.70 127.45 2g54 s GLU 726 Ca -0.12 -0.99 0.10 0.00 0.36 0.00 0.00 54.97 54.31 2g54 s GLU 726 Cb -0.17 -2.72 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 2g54 s GLU 726 CO 0.03 -0.34 -0.16 0.00 -0.54 0.00 0.00 175.26 174.26 2g54 s ALA 727 N 1.24 2.50 -0.15 6.30 0.00 -0.23 -0.41 121.76 131.02 2g54 s ALA 727 Ca 0.00 -1.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.11 2g54 s ALA 727 Cb -0.15 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 22.88 2g54 s ALA 727 CO -0.10 0.15 0.01 -1.17 0.00 0.00 0.00 175.76 174.66 2g54 s LEU 728 N -3.45 1.02 -0.25 0.00 0.20 0.26 -0.98 118.68 115.48 2g54 s LEU 728 Ca 0.28 -0.55 -0.05 0.00 0.69 0.00 0.00 54.13 54.50 2g54 s LEU 728 Cb -0.02 -0.58 0.00 0.00 -0.43 0.00 0.00 46.19 45.16 2g54 s LEU 728 CO 0.12 -0.25 0.01 -0.76 -0.29 0.00 0.00 176.35 175.18 2g54 s LEU 729 N 1.87 3.32 -0.03 -0.68 1.43 -0.48 -0.91 118.68 123.20 2g54 s LEU 729 Ca 0.01 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 2g54 s LEU 729 Cb -0.15 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2g54 s LEU 729 CO -0.07 -0.09 0.02 -2.28 0.23 0.00 0.00 176.35 174.15 2g54 s HIS 730 N 1.48 0.25 -3.93 0.29 2.46 0.18 -2.10 115.29 113.92 2g54 s HIS 730 Ca 0.04 0.06 0.00 0.00 0.47 0.00 0.00 55.06 55.63 2g54 s HIS 730 Cb -0.16 -0.43 0.00 0.00 -0.13 0.00 0.00 32.58 31.86 2g54 s HIS 730 CO -0.01 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.52 2g54 n GLY 731 N 4.49 0.34 2.78 1.59 0.00 -1.01 0.43 105.19 113.81 2g54 n GLY 731 Ca -0.20 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 4.15 -3.74 1.61 5.15 0.30 -0.57 115.26 122.17 2g54 n ASN 732 Ca 0.00 -2.90 -0.14 0.00 -0.60 0.00 0.00 54.58 50.94 2g54 n ASN 732 Cb 0.00 -1.62 -0.08 0.00 -0.53 0.00 0.00 39.78 37.54 2g54 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2g54 s ILE 733 N 2.62 0.05 0.61 -1.44 -4.36 -1.26 -4.86 121.20 112.57 2g54 s ILE 733 Ca 0.46 -0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 60.38 2g54 s ILE 733 Cb 0.13 -0.64 0.04 0.00 1.25 0.00 0.00 42.46 43.24 2g54 s ILE 733 CO -0.07 -0.23 0.89 0.42 0.24 0.00 0.00 174.94 176.19 2g54 s THR 734 N -1.27 2.86 0.16 8.37 -4.23 -1.26 -4.53 115.64 115.74 2g54 s THR 734 Ca -0.13 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 2g54 s THR 734 Cb -0.05 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.68 2g54 s THR 734 CO 0.05 -0.14 1.77 0.50 -0.54 0.00 0.00 174.62 176.26 2g54 h LYS 735 N -0.23 0.65 -0.08 3.99 3.64 -2.00 -1.08 116.57 121.47 2g54 h LYS 735 Ca -0.44 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.80 2g54 h LYS 735 Cb 1.29 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2g54 h LYS 735 CO 0.58 0.51 -0.24 -0.56 -2.27 0.00 0.00 179.45 177.47 2g54 h GLN 736 N 0.63 0.13 -0.20 1.90 -0.00 -1.98 0.11 115.11 115.68 2g54 h GLN 736 Ca 0.17 -0.04 -0.21 0.00 -0.00 0.00 0.00 58.65 58.57 2g54 h GLN 736 Cb 0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 27.51 2g54 h GLN 736 CO -0.03 0.37 -0.70 0.00 -0.00 0.00 0.00 178.83 178.47 2g54 h ALA 737 N 1.64 0.37 0.17 0.06 0.00 -1.86 -0.74 119.26 118.90 2g54 h ALA 737 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2g54 h ALA 737 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2g54 h ALA 737 CO 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 2g54 h ALA 738 N 0.61 -0.22 -0.98 0.00 0.00 -0.66 0.17 119.26 118.17 2g54 h ALA 738 Ca -0.03 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2g54 h ALA 738 Cb 1.32 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 2g54 h ALA 738 CO 0.15 -0.55 0.64 -0.07 0.00 0.00 0.00 179.25 179.42 2g54 h LEU 739 N -0.37 1.03 -0.82 0.00 3.38 -0.83 -0.23 115.31 117.48 2g54 h LEU 739 Ca -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2g54 h LEU 739 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2g54 h LEU 739 CO 0.04 0.67 0.25 1.23 0.09 0.00 0.00 178.44 180.72 2g54 h GLY 740 N 1.17 1.21 0.86 0.83 0.00 -0.65 -1.13 103.07 105.37 2g54 h GLY 740 Ca 0.42 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 2g54 h GLY 740 CO -0.15 0.65 -0.09 -2.22 0.00 0.00 0.00 176.54 174.72 2g54 h ILE 741 N 1.09 1.29 -0.12 2.60 2.04 0.36 -1.07 117.51 123.69 2g54 h ILE 741 Ca 0.24 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2g54 h ILE 741 Cb 0.27 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2g54 h ILE 741 CO -0.01 0.36 0.08 -0.03 0.00 0.00 0.00 178.15 178.54 2g54 h MET 742 N 0.25 0.16 -0.08 2.37 4.05 -0.94 -2.14 114.93 118.59 2g54 h MET 742 Ca 0.06 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 2g54 h MET 742 Cb 0.58 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.33 2g54 h MET 742 CO 0.03 0.11 -0.29 0.37 0.23 0.00 0.00 176.91 177.36 2g54 h GLN 743 N 0.16 0.15 -0.73 0.39 5.75 -1.19 -2.40 115.11 117.25 2g54 h GLN 743 Ca 0.04 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2g54 h GLN 743 Cb -0.02 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 2g54 h GLN 743 CO -0.01 0.43 0.22 1.98 -2.65 0.00 0.00 178.83 178.80 2g54 h MET 744 N 0.14 1.15 -0.42 1.69 4.05 -0.83 -0.42 114.93 120.28 2g54 h MET 744 Ca 0.02 -0.25 -0.06 0.00 -0.28 0.00 0.00 59.70 59.13 2g54 h MET 744 Cb 0.59 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 2g54 h MET 744 CO 0.04 0.98 0.05 0.28 0.23 0.00 0.00 176.91 178.49 2g54 h VAL 745 N 1.10 1.25 -0.05 -5.77 2.07 -0.92 -1.96 116.25 111.97 2g54 h VAL 745 Ca 0.24 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2g54 h VAL 745 Cb 0.32 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2g54 h VAL 745 CO -0.01 0.32 0.01 -0.33 0.02 0.00 0.00 177.57 177.58 2g54 h GLU 746 N 0.56 0.09 -0.68 1.57 5.08 -1.25 -2.51 114.58 117.44 2g54 h GLU 746 Ca 0.13 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2g54 h GLU 746 Cb 0.41 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 2g54 h GLU 746 CO 0.01 0.33 0.45 -0.44 -1.00 0.00 0.00 179.01 178.36 2g54 h ASP 747 N -0.17 0.59 -0.31 1.42 3.45 -1.07 0.38 116.42 120.70 2g54 h ASP 747 Ca 0.02 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 2g54 h ASP 747 Cb 0.29 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 2g54 h ASP 747 CO 0.00 0.37 -0.29 0.74 -1.57 0.00 0.00 179.24 178.50 2g54 h THR 748 N 0.66 1.28 -0.20 0.35 2.02 -1.24 0.16 112.91 115.94 2g54 h THR 748 Ca 0.30 -1.43 -0.13 0.00 0.77 0.00 0.00 66.41 65.91 2g54 h THR 748 Cb 0.31 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2g54 h THR 748 CO -0.10 0.48 -0.38 -0.07 0.37 0.00 0.00 175.52 175.82 2g54 h LEU 749 N 0.70 0.68 -0.37 2.58 3.38 -0.73 -2.54 115.31 119.00 2g54 h LEU 749 Ca 0.08 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2g54 h LEU 749 Cb 0.83 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2g54 h LEU 749 CO 0.07 1.09 0.20 0.40 0.09 0.00 0.00 178.44 180.29 2g54 h ILE 750 N 0.28 1.15 -0.44 1.22 2.04 -0.20 0.53 117.51 122.09 2g54 h ILE 750 Ca 0.01 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 2g54 h ILE 750 Cb 0.98 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 2g54 h ILE 750 CO 0.08 0.16 0.03 -0.08 0.00 0.00 0.00 178.15 178.35 2g54 h GLU 751 N 0.47 0.75 0.00 2.37 4.81 -1.00 -0.82 114.58 121.17 2g54 h GLU 751 Ca 0.13 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 2g54 h GLU 751 Cb 0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2g54 h GLU 751 CO -0.02 0.80 -2.05 0.72 -0.73 0.00 0.00 179.01 177.73 2g54 n HIS 752 N -4.43 0.10 0.07 0.92 8.25 -0.96 -4.53 115.22 114.63 2g54 n HIS 752 Ca -0.00 0.03 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2g54 n HIS 752 Cb 0.27 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 2.45 -3.37 -1.41 0.00 0.18 -4.83 120.51 111.11 2g54 n ALA 753 Ca -0.14 -0.44 -0.24 0.00 0.00 0.00 0.00 53.44 52.62 2g54 n ALA 753 Cb 0.78 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.08 -2.06 -1.75 0.00 -0.00 -0.31 -4.53 115.22 106.49 2g54 n HIS 754 Ca 0.01 0.63 -0.42 0.00 -0.00 0.00 0.00 57.72 57.94 2g54 n HIS 754 Cb 0.04 -3.93 -0.02 0.00 -0.00 0.00 0.00 29.99 26.08 2g54 n HIS 754 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2g54 s THR 755 N -3.13 2.03 0.18 1.59 2.01 -1.20 -4.87 115.64 112.24 2g54 s THR 755 Ca 0.43 0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.55 2g54 s THR 755 Cb -0.21 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 2g54 s THR 755 CO 0.54 0.00 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.79 2g54 s LYS 756 N 0.32 1.89 0.48 4.92 -0.14 0.14 -4.68 119.74 122.68 2g54 s LYS 756 Ca 0.69 -1.33 -0.24 0.00 -1.36 0.00 0.00 55.97 53.73 2g54 s LYS 756 Cb -0.49 -2.07 -0.07 0.00 -1.68 0.00 0.00 37.83 33.52 2g54 s LYS 756 CO 0.40 0.43 1.36 -2.14 -0.76 0.00 0.00 175.35 174.64 2g54 s PRO 757 N -2.73 3.52 0.28 -1.68 0.02 -1.26 -1.49 135.00 131.65 2g54 s PRO 757 Ca 0.23 2.25 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 2g54 s PRO 757 Cb -0.09 -2.49 -0.09 0.00 0.02 0.00 0.00 34.50 31.86 2g54 s PRO 757 CO 0.13 -0.89 0.72 -1.17 -0.33 0.00 0.00 177.00 175.46 2g54 s LEU 758 N -3.03 4.19 0.32 -5.54 2.96 -0.84 -4.67 118.68 112.08 2g54 s LEU 758 Ca 0.65 1.33 -0.28 0.00 -0.22 0.00 0.00 54.13 55.60 2g54 s LEU 758 Cb -0.40 -3.85 -0.10 0.00 0.50 0.00 0.00 46.19 42.34 2g54 s LEU 758 CO 0.50 -0.10 1.19 -0.76 -1.32 0.00 0.00 176.35 175.86 2g54 s LEU 759 N -2.53 4.43 0.38 -0.68 2.01 -1.26 -4.88 118.68 116.15 2g54 s LEU 759 Ca 0.49 2.44 0.09 0.00 0.01 0.00 0.00 54.13 57.17 2g54 s LEU 759 Cb -0.13 -3.72 0.86 0.00 0.01 0.00 0.00 46.19 43.21 2g54 s LEU 759 CO 0.19 -0.39 1.94 1.55 1.01 0.00 0.00 176.35 180.64 2g54 h PRO 760 N 3.41 0.61 0.00 1.29 0.13 -1.96 0.13 132.00 135.61 2g54 h PRO 760 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2g54 h PRO 760 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2g54 h PRO 760 CO 0.65 0.40 0.00 0.77 -0.23 0.00 0.00 178.00 179.60 2g54 h SER 761 N 0.62 0.00 0.71 1.44 0.02 -2.05 -2.13 113.55 112.17 2g54 h SER 761 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2g54 h SER 761 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2g54 h SER 761 CO -0.12 0.00 -0.26 0.00 -1.14 0.00 0.00 176.83 175.31 2g54 n GLN 762 N -2.89 0.04 -1.43 3.45 6.02 0.43 -4.41 117.38 118.59 2g54 n GLN 762 Ca -0.01 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 2g54 n GLN 762 Cb 0.17 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.91 2g54 n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2g54 n LEU 763 N -1.47 7.17 -4.76 1.08 4.77 -0.80 -4.86 117.00 118.12 2g54 n LEU 763 Ca 0.07 -4.00 -0.40 0.00 -0.03 0.00 0.00 56.01 51.65 2g54 n LEU 763 Cb 0.33 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 2g54 n LEU 763 CO 0.31 1.30 0.76 -0.69 -1.33 0.00 0.00 177.39 177.74 2g54 s VAL 764 N 3.00 3.61 -0.04 4.08 1.01 -1.26 -5.06 120.40 125.73 2g54 s VAL 764 Ca 0.56 1.55 0.05 0.00 0.00 0.00 0.00 61.98 64.14 2g54 s VAL 764 Cb 0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2g54 s VAL 764 CO -0.05 0.32 -0.20 -0.13 0.00 0.00 0.00 175.10 175.03 2g54 s ARG 765 N -1.59 2.00 0.38 2.72 1.81 -1.26 -5.04 118.95 117.96 2g54 s ARG 765 Ca 0.46 -0.71 -0.25 0.00 -1.72 0.00 0.00 55.73 53.51 2g54 s ARG 765 Cb -0.29 -1.74 -0.09 0.00 -0.45 0.00 0.00 34.95 32.38 2g54 s ARG 765 CO 0.37 0.31 1.07 0.71 -0.68 0.00 0.00 175.30 177.08 2g54 s TYR 766 N -0.08 3.30 0.27 -0.53 4.12 -1.26 -5.05 117.35 118.12 2g54 s TYR 766 Ca -0.02 1.65 0.06 0.00 0.02 0.00 0.00 57.07 58.77 2g54 s TYR 766 Cb -0.12 -3.19 -0.03 0.00 -1.52 0.00 0.00 41.96 37.10 2g54 s TYR 766 CO 0.02 -0.69 0.30 1.03 0.02 0.00 0.00 175.55 176.23 2g54 s ARG 767 N -2.27 3.11 0.02 -0.62 0.52 -1.26 -4.79 118.95 113.67 2g54 s ARG 767 Ca 0.55 -0.97 -0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2g54 s ARG 767 Cb -0.25 -2.70 -0.05 0.00 0.52 0.00 0.00 34.95 32.47 2g54 s ARG 767 CO 0.31 0.33 0.25 -2.00 0.02 0.00 0.00 175.30 174.21 2g54 s GLU 768 N -3.95 3.52 0.34 3.54 2.12 -1.26 -1.60 118.70 121.40 2g54 s GLU 768 Ca 0.36 -0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.21 2g54 s GLU 768 Cb -0.08 -3.06 -0.11 0.00 0.26 0.00 0.00 34.13 31.14 2g54 s GLU 768 CO 0.27 0.63 1.48 0.08 -0.54 0.00 0.00 175.26 177.19 2g54 s VAL 769 N -1.37 2.22 -0.47 3.70 1.01 -0.21 -1.63 120.40 123.65 2g54 s VAL 769 Ca 0.30 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 2g54 s VAL 769 Cb -0.13 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.18 2g54 s VAL 769 CO 0.19 0.04 0.43 -1.58 0.00 0.00 0.00 175.10 174.18 2g54 s GLN 770 N -1.48 3.00 0.43 2.72 0.74 -0.26 -4.76 119.66 120.05 2g54 s GLN 770 Ca 0.55 -1.25 -0.24 0.00 0.05 0.00 0.00 55.36 54.48 2g54 s GLN 770 Cb -0.45 -4.11 -0.08 0.00 1.10 0.00 0.00 33.01 29.46 2g54 s GLN 770 CO 0.56 -1.04 1.19 -0.51 -0.55 0.00 0.00 175.29 174.94 2g54 s LEU 771 N 1.81 4.11 0.38 3.68 1.02 -1.26 -4.24 118.68 124.17 2g54 s LEU 771 Ca 0.06 2.39 -0.24 0.00 0.02 0.00 0.00 54.13 56.36 2g54 s LEU 771 Cb -0.23 -4.11 -0.10 0.00 0.02 0.00 0.00 46.19 41.77 2g54 s LEU 771 CO 0.08 -0.84 0.96 -2.16 0.02 0.00 0.00 176.35 174.41 2g54 s PRO 772 N -2.48 4.39 0.26 1.29 0.04 -1.26 -4.94 135.00 132.29 2g54 s PRO 772 Ca 0.60 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 2g54 s PRO 772 Cb -0.31 -2.51 -0.14 0.00 0.04 0.00 0.00 34.50 31.57 2g54 s PRO 772 CO 0.39 0.10 1.13 -0.25 0.04 0.00 0.00 177.00 178.41 2g54 n ASP 773 N -0.01 1.65 -1.19 6.66 10.43 -1.26 -1.27 116.55 131.57 2g54 n ASP 773 Ca 0.04 1.17 -0.15 0.00 2.57 0.00 0.00 54.79 58.42 2g54 n ASP 773 Cb 0.52 -1.31 -0.06 0.00 1.84 0.00 0.00 41.12 42.10 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 1.17 -1.58 -3.36 -1.24 1.74 0.11 -4.91 116.66 108.60 2g54 n ARG 774 Ca 0.11 1.01 -0.30 0.00 -0.77 0.00 0.00 57.85 57.89 2g54 n ARG 774 Cb 0.30 -5.38 -0.04 0.00 -1.02 0.00 0.00 32.46 26.32 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 -2.50 2.06 -0.13 -0.13 0.00 -0.40 -4.99 107.32 101.23 2g54 s GLY 775 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 2g54 s GLY 775 CO 0.00 -0.29 0.19 0.86 0.00 0.00 0.00 173.10 173.85 2g54 s TRP 776 N -1.97 -0.21 0.08 1.90 -0.00 -1.26 -2.22 118.94 115.26 2g54 s TRP 776 Ca 0.46 0.48 0.08 0.00 -0.00 0.00 0.00 56.10 57.11 2g54 s TRP 776 Cb -0.11 -0.29 -0.04 0.00 -0.00 0.00 0.00 33.47 33.03 2g54 s TRP 776 CO 0.26 -0.40 -0.17 -0.06 -0.00 0.00 0.00 176.95 176.59 2g54 s PHE 777 N 2.31 2.59 -0.05 5.86 0.40 -0.64 -1.41 117.98 127.04 2g54 s PHE 777 Ca 0.04 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 2g54 s PHE 777 Cb -0.13 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 41.99 2g54 s PHE 777 CO -0.08 0.33 -0.08 0.08 0.70 0.00 0.00 175.22 176.17 2g54 s VAL 778 N -1.05 0.77 -0.15 -0.44 1.01 -0.82 -0.59 120.40 119.14 2g54 s VAL 778 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2g54 s VAL 778 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2g54 s VAL 778 CO 0.08 0.27 -0.19 -0.47 0.00 0.00 0.00 175.10 174.79 2g54 s TYR 779 N 0.66 2.72 -0.06 5.22 5.04 -0.02 -0.92 117.35 129.99 2g54 s TYR 779 Ca -0.11 -1.18 0.05 0.00 -2.44 0.00 0.00 57.07 53.40 2g54 s TYR 779 Cb -0.14 -1.85 -0.01 0.00 0.35 0.00 0.00 41.96 40.31 2g54 s TYR 779 CO 0.01 -0.53 -0.23 -1.14 -1.34 0.00 0.00 175.55 172.33 2g54 s GLN 780 N 0.80 2.61 0.23 4.97 0.74 -1.26 -0.01 119.66 127.73 2g54 s GLN 780 Ca -0.07 -0.86 -0.03 0.00 0.05 0.00 0.00 55.36 54.46 2g54 s GLN 780 Cb -0.15 -2.23 -0.03 0.00 1.10 0.00 0.00 33.01 31.70 2g54 s GLN 780 CO -0.01 0.40 0.23 -0.65 -0.55 0.00 0.00 175.29 174.72 2g54 s GLN 781 N -0.21 1.36 -0.01 1.67 -1.52 0.53 -4.97 119.66 116.52 2g54 s GLN 781 Ca -0.02 -1.59 0.05 0.00 -1.95 0.00 0.00 55.36 51.85 2g54 s GLN 781 Cb -0.13 0.33 -0.01 0.00 -0.22 0.00 0.00 33.01 32.97 2g54 s GLN 781 CO 0.03 -0.49 -0.17 0.50 -0.25 0.00 0.00 175.29 174.92 2g54 s ARG 782 N -4.01 1.35 -0.32 2.91 3.52 -1.26 -0.26 118.95 120.88 2g54 s ARG 782 Ca 0.35 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 55.17 2g54 s ARG 782 Cb 0.05 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 32.10 2g54 s ARG 782 CO 0.13 0.36 0.35 1.21 -0.81 0.00 0.00 175.30 176.54 2g54 s ASN 783 N -0.49 6.18 0.00 -2.12 2.47 -0.07 -4.87 114.94 116.03 2g54 s ASN 783 Ca 0.06 -0.08 0.12 0.00 0.42 0.00 0.00 52.86 53.39 2g54 s ASN 783 Cb -0.07 -2.19 0.44 0.00 -1.45 0.00 0.00 41.25 37.98 2g54 s ASN 783 CO -0.00 -0.27 1.33 -1.84 -3.72 0.00 0.00 177.10 172.59 2g54 n GLU 784 N 5.34 1.60 -0.02 0.43 0.28 -1.26 -1.98 120.64 125.03 2g54 n GLU 784 Ca -0.09 -0.93 -0.05 0.00 -0.16 0.00 0.00 57.16 55.93 2g54 n GLU 784 Cb 0.50 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 32.09 2g54 n GLU 784 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2g54 n VAL 785 N 0.21 0.46 -3.09 3.84 0.31 -1.26 -4.90 118.33 113.90 2g54 n VAL 785 Ca 0.11 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.05 2g54 n VAL 785 Cb 0.24 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 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 -2.11 3.77 -0.53 3.52 3.76 -1.26 -4.87 115.29 117.56 2g54 s HIS 786 Ca -0.07 1.40 -0.03 0.00 -0.15 0.00 0.00 55.06 56.21 2g54 s HIS 786 Cb 0.03 -2.70 0.16 0.00 1.11 0.00 0.00 32.58 31.18 2g54 s HIS 786 CO 0.09 0.40 2.50 -1.71 -0.85 0.00 0.00 174.74 175.17 2g54 n ASN 787 N 2.35 6.76 -4.04 1.40 5.15 -1.26 -0.89 115.26 124.73 2g54 n ASN 787 Ca -0.06 -3.35 -0.08 0.00 -0.60 0.00 0.00 54.58 50.49 2g54 n ASN 787 Cb 0.50 -1.17 -0.10 0.00 -0.53 0.00 0.00 39.78 38.48 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 -0.08 0.38 0.21 1.20 -0.87 -1.26 -4.77 114.94 109.75 2g54 s ASN 788 Ca 0.55 -0.81 -0.01 0.00 -1.57 0.00 0.00 52.86 51.02 2g54 s ASN 788 Cb 0.39 0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 41.75 2g54 s ASN 788 CO -0.23 -0.51 0.40 0.00 -2.57 0.00 0.00 177.10 174.19 2g54 s GLY 790 N -3.17 0.72 -0.09 0.00 0.00 0.95 -1.13 107.32 104.60 2g54 s GLY 790 Ca 0.39 -0.87 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 2g54 s GLY 790 CO 0.29 -0.89 0.43 -1.50 0.00 0.00 0.00 173.10 171.43 2g54 s ILE 791 N -1.20 0.02 -0.06 0.90 2.07 -0.24 -0.04 121.20 122.66 2g54 s ILE 791 Ca -0.04 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 59.00 2g54 s ILE 791 Cb -0.09 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.84 2g54 s ILE 791 CO 0.01 -0.10 0.01 -0.70 -1.91 0.00 0.00 174.94 172.25 2g54 s GLU 792 N -0.62 0.42 -0.17 3.50 2.12 -0.92 -1.82 118.70 121.22 2g54 s GLU 792 Ca -0.07 0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 2g54 s GLU 792 Cb -0.03 -0.78 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 2g54 s GLU 792 CO 0.04 -0.27 -0.04 0.42 -0.54 0.00 0.00 175.26 174.87 2g54 s ILE 793 N 1.79 3.78 -0.21 -3.70 1.01 -0.30 -1.27 121.20 122.30 2g54 s ILE 793 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2g54 s ILE 793 Cb -0.13 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.70 2g54 s ILE 793 CO -0.04 0.47 -0.16 -0.47 0.00 0.00 0.00 174.94 174.75 2g54 s TYR 794 N 0.66 2.94 -0.76 3.97 5.04 0.23 -1.17 117.35 128.25 2g54 s TYR 794 Ca -0.02 -1.78 -0.11 0.00 -2.44 0.00 0.00 57.07 52.72 2g54 s TYR 794 Cb -0.14 -1.95 0.20 0.00 0.35 0.00 0.00 41.96 40.42 2g54 s TYR 794 CO 0.02 -0.81 0.67 0.71 -1.34 0.00 0.00 175.55 174.80 2g54 s TYR 795 N 1.25 3.65 0.24 4.97 1.51 0.75 -1.53 117.35 128.20 2g54 s TYR 795 Ca 0.01 -2.16 -0.30 0.00 -1.01 0.00 0.00 57.07 53.61 2g54 s TYR 795 Cb -0.15 -3.65 -0.10 0.00 -0.11 0.00 0.00 41.96 37.94 2g54 s TYR 795 CO -0.10 -0.95 1.52 -1.14 -1.11 0.00 0.00 175.55 173.77 2g54 s GLN 796 N 0.17 4.21 0.00 -0.62 0.74 0.13 -1.78 119.66 122.51 2g54 s GLN 796 Ca 0.17 2.40 0.00 0.00 0.05 0.00 0.00 55.36 57.98 2g54 s GLN 796 Cb -0.14 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.88 2g54 s GLN 796 CO -0.07 -0.53 0.00 0.25 -0.55 0.00 0.00 175.29 174.39 2g54 n THR 797 N 2.74 0.00 -3.61 -0.34 -2.24 -0.92 -3.93 114.28 105.98 2g54 n THR 797 Ca 0.09 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.80 2g54 n THR 797 Cb 0.39 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.58 -1.24 -4.73 3.42 -0.08 -1.21 -5.00 116.55 107.14 2g54 n ASP 798 Ca 0.00 -2.05 -0.35 0.00 -1.51 0.00 0.00 54.79 50.89 2g54 n ASP 798 Cb 0.00 2.12 0.08 0.00 2.34 0.00 0.00 41.12 45.65 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 -2.20 2.36 0.31 -0.67 0.00 -1.26 -2.63 119.30 115.21 2g54 s MET 799 Ca 0.12 1.78 -0.29 0.00 0.00 0.00 0.00 55.69 57.30 2g54 s MET 799 Cb -0.02 -1.86 -0.10 0.00 0.00 0.00 0.00 34.83 32.85 2g54 s MET 799 CO 0.09 -1.67 1.24 -0.65 0.00 0.00 0.00 175.02 174.03 2g54 s GLN 800 N -3.77 4.45 -0.02 4.11 -0.21 0.44 -4.83 119.66 119.83 2g54 s GLN 800 Ca 0.75 2.08 -0.30 0.00 0.02 0.00 0.00 55.36 57.91 2g54 s GLN 800 Cb -0.30 -3.11 0.11 0.00 1.00 0.00 0.00 33.01 30.71 2g54 s GLN 800 CO 0.42 -0.05 1.03 -1.54 -2.12 0.00 0.00 175.29 173.03 2g54 s SER 801 N -0.62 -0.23 0.18 5.90 1.04 -1.26 -4.99 113.70 113.72 2g54 s SER 801 Ca 0.47 -0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.62 2g54 s SER 801 Cb -0.37 0.32 0.13 0.00 0.10 0.00 0.00 66.02 66.19 2g54 s SER 801 CO 0.49 -0.53 1.62 0.74 0.98 0.00 0.00 173.24 176.53 2g54 h THR 802 N 2.00 0.33 -0.01 2.02 2.02 -1.99 0.38 112.91 117.67 2g54 h THR 802 Ca -0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2g54 h THR 802 Cb 1.22 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2g54 h THR 802 CO 0.27 0.00 -0.00 0.77 0.37 0.00 0.00 175.52 176.93 2g54 h SER 803 N -0.13 0.02 -0.72 4.18 4.64 -1.98 -2.68 113.55 116.88 2g54 h SER 803 Ca 0.22 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2g54 h SER 803 Cb 0.48 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2g54 h SER 803 CO -0.56 0.42 0.43 -0.08 -0.87 0.00 0.00 176.83 176.18 2g54 h GLU 804 N -0.38 1.00 -0.29 4.77 4.57 -1.83 -1.68 114.58 120.74 2g54 h GLU 804 Ca 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2g54 h GLU 804 Cb 0.42 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2g54 h GLU 804 CO 0.00 0.71 0.09 -0.91 -1.18 0.00 0.00 179.01 177.73 2g54 h ASN 805 N 1.01 0.42 1.20 1.04 -0.26 -0.22 -2.73 115.58 116.05 2g54 h ASN 805 Ca 0.26 -0.20 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 2g54 h ASN 805 Cb -0.02 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 2g54 h ASN 805 CO -0.05 0.51 -0.44 0.24 -1.06 0.00 0.00 177.43 176.63 2g54 h MET 806 N 0.31 0.00 0.03 0.81 2.86 -1.26 -0.70 114.93 116.98 2g54 h MET 806 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2g54 h MET 806 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2g54 h MET 806 CO -0.00 0.44 -0.02 0.74 1.06 0.00 0.00 176.91 179.13 2g54 h PHE 807 N 0.00 -0.04 -0.22 -0.22 0.05 -1.25 -0.54 116.94 114.71 2g54 h PHE 807 Ca -0.00 -0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 2g54 h PHE 807 Cb 1.16 0.01 -0.01 0.00 2.00 0.00 0.00 35.95 39.11 2g54 h PHE 807 CO 0.00 0.18 0.07 1.25 -0.18 0.00 0.00 178.31 179.63 2g54 h LEU 808 N -0.27 0.33 -0.77 1.54 5.85 -1.43 -2.25 115.31 118.32 2g54 h LEU 808 Ca -0.00 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 2g54 h LEU 808 Cb 0.25 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2g54 h LEU 808 CO 0.01 0.44 0.08 -0.33 -0.34 0.00 0.00 178.44 178.30 2g54 h GLU 809 N 0.19 1.02 -0.41 1.25 5.08 -1.12 -0.75 114.58 119.84 2g54 h GLU 809 Ca 0.07 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2g54 h GLU 809 Cb 0.23 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2g54 h GLU 809 CO -0.00 0.95 0.02 1.25 -1.00 0.00 0.00 179.01 180.23 2g54 h LEU 810 N 0.95 0.70 -0.70 1.33 6.46 -1.07 -0.55 115.31 122.43 2g54 h LEU 810 Ca 0.19 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 2g54 h LEU 810 Cb 0.44 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 2g54 h LEU 810 CO 0.01 0.82 0.35 0.15 -0.62 0.00 0.00 178.44 179.15 2g54 h PHE 811 N 0.56 0.99 -0.46 1.25 3.04 -1.20 -1.55 116.94 119.57 2g54 h PHE 811 Ca 0.12 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 2g54 h PHE 811 Cb 0.44 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2g54 h PHE 811 CO 0.03 0.73 -0.05 0.00 -2.02 0.00 0.00 178.31 177.00 2g54 h GLN 813 N 0.73 1.18 -0.22 0.00 5.75 -0.62 0.59 115.11 122.52 2g54 h GLN 813 Ca 0.13 -0.16 -0.17 0.00 -0.15 0.00 0.00 58.65 58.31 2g54 h GLN 813 Cb 0.51 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 2g54 h GLN 813 CO 0.03 0.89 -0.55 0.82 -2.65 0.00 0.00 178.83 177.37 2g54 h ILE 814 N 1.17 1.31 -0.00 2.39 2.04 -0.93 -3.25 117.51 120.23 2g54 h ILE 814 Ca 0.29 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.37 2g54 h ILE 814 Cb 0.08 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2g54 h ILE 814 CO -0.04 0.56 -0.51 2.30 0.00 0.00 0.00 178.15 180.46 2g54 n ILE 815 N -3.97 0.00 0.06 -0.67 -5.35 -0.65 -4.55 119.36 104.22 2g54 n ILE 815 Ca -0.04 -0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.31 2g54 n ILE 815 Cb 0.62 0.44 -0.05 0.00 -1.74 0.00 0.00 39.64 38.90 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 0.40 -0.87 -0.33 7.28 0.87 -0.92 0.15 113.55 120.12 2g54 h SER 816 Ca 0.00 0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 2g54 h SER 816 Cb 0.51 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.78 2g54 h SER 816 CO 0.00 -0.30 -0.32 1.05 -0.53 0.00 0.00 176.83 176.73 2g54 h GLU 817 N -0.41 0.86 -0.51 2.24 -0.00 -1.81 -2.91 114.58 112.04 2g54 h GLU 817 Ca -0.00 -0.41 -0.01 0.00 -0.00 0.00 0.00 59.36 58.94 2g54 h GLU 817 Cb 0.41 -0.01 -0.03 0.00 -0.00 0.00 0.00 28.75 29.13 2g54 h GLU 817 CO -0.16 1.05 0.29 -1.35 -0.00 0.00 0.00 179.01 178.85 2g54 h PRO 818 N 0.72 0.69 -0.04 1.06 0.11 -1.78 0.16 132.00 132.92 2g54 h PRO 818 Ca 0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 2g54 h PRO 818 Cb 0.88 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 2g54 h PRO 818 CO 0.08 0.49 0.03 0.00 -0.21 0.00 0.00 178.00 178.39 2g54 h PHE 820 N 0.01 0.33 -0.69 0.00 3.57 -1.24 -0.01 116.94 118.90 2g54 h PHE 820 Ca 0.02 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2g54 h PHE 820 Cb 0.05 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2g54 h PHE 820 CO -0.06 0.30 0.25 -0.97 -2.23 0.00 0.00 178.31 175.60 2g54 h ASN 821 N 0.26 0.95 0.00 0.41 -0.73 -0.46 -1.21 115.58 114.80 2g54 h ASN 821 Ca 0.08 -0.15 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 2g54 h ASN 821 Cb 0.09 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.43 2g54 h ASN 821 CO -0.01 0.86 -0.01 0.74 -0.37 0.00 0.00 177.43 178.64 2g54 h THR 822 N 1.00 1.19 0.00 -3.57 2.02 -0.27 -0.27 112.91 113.01 2g54 h THR 822 Ca 0.23 -1.89 -0.07 0.00 0.77 0.00 0.00 66.41 65.44 2g54 h THR 822 Cb 0.23 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2g54 h THR 822 CO -0.02 0.40 -0.34 -0.07 0.37 0.00 0.00 175.52 175.87 2g54 h LEU 823 N -1.00 0.00 0.00 2.58 4.07 -1.09 -1.37 115.31 118.50 2g54 h LEU 823 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2g54 h LEU 823 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2g54 h LEU 823 CO -0.00 0.34 -0.17 -1.14 -1.08 0.00 0.00 178.44 176.39 2g54 n ARG 824 N -3.40 0.09 -0.36 1.13 0.63 -0.49 -1.49 116.66 112.77 2g54 n ARG 824 Ca 0.00 0.04 0.04 0.00 -0.92 0.00 0.00 57.85 57.01 2g54 n ARG 824 Cb 0.53 -0.48 0.20 0.00 0.45 0.00 0.00 32.46 33.15 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 -0.17 1.05 0.00 5.15 2.02 -1.41 0.60 112.91 120.17 2g54 h THR 825 Ca 0.00 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2g54 h THR 825 Cb 0.17 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2g54 h THR 825 CO 0.00 0.21 -0.56 0.11 0.37 0.00 0.00 175.52 175.64 2g54 h LYS 826 N 1.13 0.00 0.00 6.66 1.57 -1.12 -3.41 116.57 121.39 2g54 h LYS 826 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 2g54 h LYS 826 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2g54 h LYS 826 CO -0.19 0.16 -0.21 0.93 -0.57 0.00 0.00 179.45 179.57 2g54 h GLU 827 N -1.00 0.00 -6.55 3.15 5.08 -1.32 -3.48 114.58 110.46 2g54 h GLU 827 Ca -0.05 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.80 2g54 h GLU 827 Cb 0.58 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 2g54 h GLU 827 CO -0.03 0.00 -0.89 1.04 -1.00 0.00 0.00 179.01 178.13 2g54 n GLN 828 N -2.42 -3.15 0.05 2.33 1.13 0.21 -4.85 117.38 110.68 2g54 n GLN 828 Ca 0.04 0.38 -0.02 0.00 -1.94 0.00 0.00 57.00 55.46 2g54 n GLN 828 Cb 0.46 -4.51 0.23 0.00 0.11 0.00 0.00 30.24 26.53 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 -1.81 0.38 0.00 1.08 3.38 -1.46 -3.47 115.31 113.40 2g54 h LEU 829 Ca -0.63 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2g54 h LEU 829 Cb 1.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2g54 h LEU 829 CO 0.64 0.66 0.00 0.61 0.09 0.00 0.00 178.44 180.44 2g54 n GLY 830 N -0.38 0.02 0.18 0.83 0.00 -1.26 -4.24 105.19 100.33 2g54 n GLY 830 Ca -0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 2g54 n GLY 830 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2g54 h TYR 831 N 0.00 0.68 -3.32 1.61 3.20 -1.82 -3.41 116.97 113.92 2g54 h TYR 831 Ca 0.00 -0.20 -0.66 0.00 3.14 0.00 0.00 58.73 61.01 2g54 h TYR 831 Cb 0.00 -0.14 -0.16 0.00 1.54 0.00 0.00 36.73 37.96 2g54 h TYR 831 CO 0.00 0.89 0.17 0.42 -1.64 0.00 0.00 178.16 178.00 2g54 s ILE 832 N -4.38 4.76 -0.13 1.81 1.01 -1.26 -4.99 121.20 118.01 2g54 s ILE 832 Ca -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.31 2g54 s ILE 832 Cb 0.07 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2g54 s ILE 832 CO 0.80 -0.82 -0.01 -0.69 0.00 0.00 0.00 174.94 174.22 2g54 s VAL 833 N 2.95 0.64 0.02 2.92 1.01 -1.26 -2.41 120.40 124.26 2g54 s VAL 833 Ca 0.20 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2g54 s VAL 833 Cb -0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2g54 s VAL 833 CO 0.15 0.10 -0.09 0.12 0.00 0.00 0.00 175.10 175.38 2g54 s PHE 834 N 1.84 0.80 -0.01 5.22 5.36 0.47 -4.87 117.98 126.78 2g54 s PHE 834 Ca 0.02 -0.27 -0.09 0.00 -0.96 0.00 0.00 56.93 55.63 2g54 s PHE 834 Cb -0.14 -0.49 0.01 0.00 -0.34 0.00 0.00 43.02 42.05 2g54 s PHE 834 CO -0.07 -0.02 0.18 -1.54 -1.46 0.00 0.00 175.22 172.32 2g54 s SER 835 N -0.77 -0.06 0.00 6.13 1.04 -1.26 -0.49 113.70 118.29 2g54 s SER 835 Ca -0.01 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2g54 s SER 835 Cb -0.06 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2g54 s SER 835 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2g54 n GLY 836 N 1.66 -2.45 3.82 7.32 0.00 -0.92 -4.97 105.19 109.64 2g54 n GLY 836 Ca -0.21 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.98 4.22 -0.15 1.61 0.04 -1.26 -1.32 135.00 136.15 2g54 s PRO 837 Ca 0.00 1.14 0.02 0.00 0.04 0.00 0.00 61.00 62.20 2g54 s PRO 837 Cb 0.00 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2g54 s PRO 837 CO 0.00 -0.04 -0.21 0.50 0.04 0.00 0.00 177.00 177.29 2g54 s ARG 838 N -3.15 3.03 -0.11 4.56 3.52 0.19 -4.83 118.95 122.17 2g54 s ARG 838 Ca 0.62 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 55.42 2g54 s ARG 838 Cb -0.10 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2g54 s ARG 838 CO 0.14 -0.07 -0.21 1.03 -0.81 0.00 0.00 175.30 175.38 2g54 s ARG 839 N 0.95 2.83 -0.28 5.12 3.00 -1.26 -0.90 118.95 128.41 2g54 s ARG 839 Ca -0.04 -0.80 -0.21 0.00 0.00 0.00 0.00 55.73 54.69 2g54 s ARG 839 Cb -0.15 -2.20 0.09 0.00 0.00 0.00 0.00 34.95 32.69 2g54 s ARG 839 CO -0.05 0.09 0.78 0.00 0.00 0.00 0.00 175.30 176.12 2g54 s ALA 840 N 0.55 -1.89 -1.25 2.13 0.00 -0.10 -4.96 121.76 116.24 2g54 s ALA 840 Ca -0.14 2.17 -0.07 0.00 0.00 0.00 0.00 51.96 53.92 2g54 s ALA 840 Cb -0.17 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.64 2g54 s ALA 840 CO 0.05 -0.34 0.39 0.09 0.00 0.00 0.00 175.76 175.95 2g54 n ASN 841 N 3.30 -4.01 0.00 0.00 3.02 -1.26 -0.34 115.26 115.97 2g54 n ASN 841 Ca -0.16 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2g54 n ASN 841 Cb 0.57 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 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 -1.12 1.83 3.82 7.41 0.00 -1.26 -4.51 105.19 111.35 2g54 n GLY 842 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.10 4.14 0.06 -0.61 -1.09 0.54 -0.42 121.20 120.72 2g54 s ILE 843 Ca 0.00 -1.44 -0.21 0.00 -2.23 0.00 0.00 60.65 56.78 2g54 s ILE 843 Cb 0.00 -3.31 0.05 0.00 -1.58 0.00 0.00 42.46 37.62 2g54 s ILE 843 CO 0.00 -0.31 0.49 0.00 -1.23 0.00 0.00 174.94 173.89 2g54 s GLN 844 N -3.87 1.03 0.08 2.79 -2.07 -1.08 -0.93 119.66 115.62 2g54 s GLN 844 Ca 0.35 -0.33 -0.09 0.00 -1.82 0.00 0.00 55.36 53.47 2g54 s GLN 844 Cb -0.07 0.47 0.03 0.00 -1.09 0.00 0.00 33.01 32.35 2g54 s GLN 844 CO 0.25 -0.38 0.44 0.41 -1.32 0.00 0.00 175.29 174.69 2g54 n GLY 845 N 0.30 1.02 3.77 2.60 0.00 -0.08 -2.17 105.19 110.63 2g54 n GLY 845 Ca -0.18 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 4.34 0.09 0.99 0.20 -0.73 0.57 118.68 124.14 2g54 s LEU 846 Ca 0.10 0.73 0.06 0.00 0.69 0.00 0.00 54.13 55.70 2g54 s LEU 846 Cb -0.01 -2.50 -0.03 0.00 -0.43 0.00 0.00 46.19 43.22 2g54 s LEU 846 CO 0.02 0.17 -0.15 0.00 -0.29 0.00 0.00 176.35 176.10 2g54 s ARG 847 N -0.09 0.93 -0.04 1.98 1.70 -0.43 -0.18 118.95 122.82 2g54 s ARG 847 Ca 0.21 -1.08 0.03 0.00 -0.47 0.00 0.00 55.73 54.42 2g54 s ARG 847 Cb -0.15 -0.92 0.00 0.00 -0.57 0.00 0.00 34.95 33.32 2g54 s ARG 847 CO 0.08 0.20 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.32 2g54 s PHE 848 N -1.58 1.24 -0.09 5.89 0.40 -0.32 -2.16 117.98 121.35 2g54 s PHE 848 Ca 0.03 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2g54 s PHE 848 Cb -0.08 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.60 2g54 s PHE 848 CO 0.03 -0.15 -0.07 0.42 0.70 0.00 0.00 175.22 176.15 2g54 s ILE 849 N 0.24 0.91 0.01 0.64 1.01 0.35 -1.15 121.20 123.21 2g54 s ILE 849 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2g54 s ILE 849 Cb -0.11 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 2g54 s ILE 849 CO 0.01 0.33 -0.04 -0.63 0.00 0.00 0.00 174.94 174.62 2g54 s ILE 850 N 1.43 0.31 -0.11 2.92 1.01 -0.76 -0.40 121.20 125.61 2g54 s ILE 850 Ca -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 2g54 s ILE 850 Cb -0.13 -0.31 0.01 0.00 0.01 0.00 0.00 42.46 42.03 2g54 s ILE 850 CO -0.04 -0.06 -0.19 -1.58 0.00 0.00 0.00 174.94 173.07 2g54 s GLN 851 N -0.50 2.55 0.24 2.79 0.74 -1.01 -1.07 119.66 123.41 2g54 s GLN 851 Ca -0.02 -0.69 -0.16 0.00 0.05 0.00 0.00 55.36 54.53 2g54 s GLN 851 Cb -0.04 -2.07 0.01 0.00 1.10 0.00 0.00 33.01 32.01 2g54 s GLN 851 CO -0.00 0.01 0.55 0.45 -0.55 0.00 0.00 175.29 175.75 2g54 s SER 852 N 0.76 -0.17 0.20 6.67 0.15 -0.28 -4.29 113.70 116.74 2g54 s SER 852 Ca -0.10 -0.75 0.13 0.00 0.70 0.00 0.00 55.95 55.93 2g54 s SER 852 Cb -0.16 0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 2g54 s SER 852 CO 0.01 -1.18 1.30 -0.08 1.20 0.00 0.00 173.24 174.50 2g54 h GLU 853 N 2.18 0.00 -6.93 5.44 4.81 -1.86 0.46 114.58 118.68 2g54 h GLU 853 Ca -0.25 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.48 2g54 h GLU 853 Cb 1.25 0.00 0.05 0.00 0.63 0.00 0.00 28.75 30.68 2g54 h GLU 853 CO 0.33 0.60 0.51 0.15 -0.73 0.00 0.00 179.01 179.86 2g54 s LYS 854 N -2.88 4.10 0.59 1.92 -0.14 -1.26 -4.67 119.74 117.40 2g54 s LYS 854 Ca 0.02 1.84 -0.19 0.00 -1.36 0.00 0.00 55.97 56.28 2g54 s LYS 854 Cb 0.08 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.49 2g54 s LYS 854 CO 0.78 -0.28 1.22 -1.25 -0.76 0.00 0.00 175.35 175.06 2g54 s PRO 855 N -2.25 2.94 0.26 -1.68 0.04 -1.26 -4.64 135.00 128.42 2g54 s PRO 855 Ca 0.56 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.45 2g54 s PRO 855 Cb -0.31 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.83 2g54 s PRO 855 CO 0.39 -1.24 1.68 -1.35 0.04 0.00 0.00 177.00 176.52 2g54 h PRO 856 N 0.89 0.26 0.00 0.56 0.11 -1.89 -0.80 132.00 131.14 2g54 h PRO 856 Ca -0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 2g54 h PRO 856 Cb 1.30 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2g54 h PRO 856 CO 0.55 0.17 -0.12 1.12 -0.21 0.00 0.00 178.00 179.51 2g54 h HIS 857 N 0.27 0.00 -0.00 0.65 2.07 -1.86 0.21 115.15 116.49 2g54 h HIS 857 Ca 0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.92 2g54 h HIS 857 Cb 0.83 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.81 2g54 h HIS 857 CO -0.26 0.12 -0.23 -0.92 -3.07 0.00 0.00 177.93 173.57 2g54 h TYR 858 N 0.00 0.24 -0.83 6.12 3.20 -1.54 -2.89 116.97 121.27 2g54 h TYR 858 Ca -0.00 -0.13 0.15 0.00 3.14 0.00 0.00 58.73 61.89 2g54 h TYR 858 Cb 0.22 -0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2g54 h TYR 858 CO 0.00 0.93 0.41 -0.07 -1.64 0.00 0.00 178.16 177.78 2g54 h LEU 859 N -0.52 0.47 -0.93 2.82 4.07 -0.82 -0.81 115.31 119.59 2g54 h LEU 859 Ca -0.03 0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 2g54 h LEU 859 Cb 0.99 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2g54 h LEU 859 CO 0.05 0.19 -0.01 -0.08 -1.08 0.00 0.00 178.44 177.50 2g54 h GLU 860 N 0.57 0.76 -0.61 1.13 4.81 -1.00 -2.10 114.58 118.15 2g54 h GLU 860 Ca 0.46 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 2g54 h GLU 860 Cb 0.66 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2g54 h GLU 860 CO -0.38 0.78 0.16 1.03 -0.73 0.00 0.00 179.01 179.88 2g54 h SER 861 N 0.71 0.88 -0.03 1.04 0.87 -0.95 -1.73 113.55 114.34 2g54 h SER 861 Ca 0.14 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2g54 h SER 861 Cb 0.46 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2g54 h SER 861 CO 0.02 0.85 -0.49 0.03 -0.53 0.00 0.00 176.83 176.72 2g54 h ARG 862 N 0.91 0.59 -0.37 2.24 2.47 -1.05 -1.96 114.38 117.21 2g54 h ARG 862 Ca 0.20 -0.34 -0.08 0.00 -1.26 0.00 0.00 59.98 58.50 2g54 h ARG 862 Cb 0.31 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2g54 h ARG 862 CO -0.00 0.95 -0.07 0.28 0.56 0.00 0.00 179.97 181.69 2g54 h VAL 863 N 0.47 1.27 -0.46 2.04 2.07 -1.12 -0.70 116.25 119.82 2g54 h VAL 863 Ca 0.02 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2g54 h VAL 863 Cb 1.02 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2g54 h VAL 863 CO 0.09 0.37 0.15 -0.33 0.02 0.00 0.00 177.57 177.88 2g54 h GLU 864 N 0.50 0.67 -0.45 1.57 4.39 -1.25 -0.42 114.58 119.59 2g54 h GLU 864 Ca 0.10 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 2g54 h GLU 864 Cb 0.57 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2g54 h GLU 864 CO 0.03 0.58 -0.20 0.00 -1.16 0.00 0.00 179.01 178.26 2g54 h ALA 865 N 1.51 0.81 -0.66 3.43 0.00 -1.10 -2.77 119.26 120.48 2g54 h ALA 865 Ca 0.16 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2g54 h ALA 865 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2g54 h ALA 865 CO -0.01 0.65 0.13 0.35 0.00 0.00 0.00 179.25 180.37 2g54 h PHE 866 N 0.78 1.12 -0.69 0.00 3.57 -0.14 -2.24 116.94 119.33 2g54 h PHE 866 Ca 0.11 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.48 2g54 h PHE 866 Cb 0.74 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2g54 h PHE 866 CO 0.04 0.93 0.45 -0.07 -2.23 0.00 0.00 178.31 177.44 2g54 h LEU 867 N 1.00 0.76 -0.37 0.59 4.07 -0.90 -0.42 115.31 120.04 2g54 h LEU 867 Ca 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2g54 h LEU 867 Cb 0.40 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2g54 h LEU 867 CO 0.01 0.54 0.23 0.40 -1.08 0.00 0.00 178.44 178.54 2g54 h ILE 868 N 0.90 1.11 -0.68 1.22 1.08 -1.22 -1.95 117.51 117.97 2g54 h ILE 868 Ca 0.27 -0.24 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 2g54 h ILE 868 Cb -0.05 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 34.23 2g54 h ILE 868 CO -0.08 0.11 0.33 0.74 -0.69 0.00 0.00 178.15 178.56 2g54 h THR 869 N 0.50 0.85 -0.19 -0.27 2.02 -0.77 -1.79 112.91 113.26 2g54 h THR 869 Ca 0.14 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2g54 h THR 869 Cb -0.02 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2g54 h THR 869 CO -0.03 0.10 -0.21 0.24 0.37 0.00 0.00 175.52 176.00 2g54 h MET 870 N 0.57 0.33 0.20 6.66 2.86 -0.66 -0.11 114.93 124.77 2g54 h MET 870 Ca 0.33 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2g54 h MET 870 Cb 0.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2g54 h MET 870 CO -0.27 0.53 -0.10 1.49 1.06 0.00 0.00 176.91 179.63 2g54 h GLU 871 N 0.30 -0.26 -0.49 1.72 4.81 -0.58 0.35 114.58 120.44 2g54 h GLU 871 Ca 0.05 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2g54 h GLU 871 Cb 0.54 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2g54 h GLU 871 CO 0.04 -0.08 0.28 0.87 -0.73 0.00 0.00 179.01 179.39 2g54 h LYS 872 N -0.39 0.53 -0.83 1.92 1.57 -1.29 -1.76 116.57 116.33 2g54 h LYS 872 Ca -0.03 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2g54 h LYS 872 Cb 0.30 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2g54 h LYS 872 CO 0.04 0.35 0.50 1.03 -0.57 0.00 0.00 179.45 180.81 2g54 h SER 873 N 0.55 0.77 -0.45 0.86 0.87 -0.78 0.27 113.55 115.64 2g54 h SER 873 Ca 0.20 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 2g54 h SER 873 Cb 0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2g54 h SER 873 CO -0.11 0.48 -0.23 0.40 -0.53 0.00 0.00 176.83 176.85 2g54 h ILE 874 N 0.90 1.27 -0.24 2.23 2.04 -0.49 -0.36 117.51 122.86 2g54 h ILE 874 Ca 0.37 -1.39 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 2g54 h ILE 874 Cb 0.21 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2g54 h ILE 874 CO -0.19 0.48 -0.28 -0.33 0.00 0.00 0.00 178.15 177.83 2g54 h GLU 875 N 0.83 0.46 0.00 2.37 5.08 -0.51 -3.04 114.58 119.78 2g54 h GLU 875 Ca 0.11 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2g54 h GLU 875 Cb 0.80 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2g54 h GLU 875 CO 0.07 0.70 -0.33 -0.25 -1.00 0.00 0.00 179.01 178.20 2g54 n ASP 876 N -4.11 0.63 -4.80 1.42 10.43 0.88 -4.91 116.55 116.10 2g54 n ASP 876 Ca -0.01 0.27 -0.34 0.00 2.57 0.00 0.00 54.79 57.28 2g54 n ASP 876 Cb 0.42 -0.22 -0.05 0.00 1.84 0.00 0.00 41.12 43.12 2g54 n ASP 876 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2g54 s MET 877 N -3.10 4.02 0.79 -1.24 0.23 -0.17 -5.03 119.30 114.80 2g54 s MET 877 Ca 0.09 1.33 -0.11 0.00 -1.03 0.00 0.00 55.69 55.97 2g54 s MET 877 Cb 0.14 -2.24 0.06 0.00 -1.53 0.00 0.00 34.83 31.27 2g54 s MET 877 CO 0.65 -0.24 1.09 0.95 -2.03 0.00 0.00 175.02 175.44 2g54 s THR 878 N -1.95 3.30 0.30 3.16 -4.23 -1.26 -4.87 115.64 110.09 2g54 s THR 878 Ca 0.63 0.42 -0.00 0.00 -1.18 0.00 0.00 61.69 61.56 2g54 s THR 878 Cb -0.16 -3.01 0.20 0.00 1.34 0.00 0.00 72.50 70.88 2g54 s THR 878 CO 0.20 -0.55 1.90 -0.33 -0.54 0.00 0.00 174.62 175.30 2g54 h GLU 879 N -1.12 0.87 -0.36 3.99 4.39 -1.98 -1.40 114.58 118.97 2g54 h GLU 879 Ca -0.45 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 58.96 2g54 h GLU 879 Cb 1.24 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2g54 h GLU 879 CO 0.55 0.69 -0.43 1.49 -1.16 0.00 0.00 179.01 180.14 2g54 h GLU 880 N 0.86 0.92 -0.73 2.33 4.57 -1.98 -0.52 114.58 120.04 2g54 h GLU 880 Ca 0.21 -0.51 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 2g54 h GLU 880 Cb 0.12 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2g54 h GLU 880 CO -0.02 1.16 0.41 0.00 -1.18 0.00 0.00 179.01 179.38 2g54 h ALA 881 N 0.76 1.35 -0.35 2.92 0.00 -1.80 0.12 119.26 122.25 2g54 h ALA 881 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2g54 h ALA 881 Cb 1.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2g54 h ALA 881 CO 0.10 0.54 0.05 0.35 0.00 0.00 0.00 179.25 180.29 2g54 h PHE 882 N 1.01 0.63 0.00 0.00 3.57 -0.98 -2.26 116.94 118.91 2g54 h PHE 882 Ca 0.26 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2g54 h PHE 882 Cb 0.01 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 2g54 h PHE 882 CO 0.01 0.65 -0.04 0.37 -2.23 0.00 0.00 178.31 177.07 2g54 h GLN 883 N 0.42 0.00 -0.07 1.11 5.75 -0.34 -2.17 115.11 119.80 2g54 h GLN 883 Ca 0.11 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.39 2g54 h GLN 883 Cb 0.37 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.93 2g54 h GLN 883 CO 0.01 0.04 -0.81 -0.22 -2.65 0.00 0.00 178.83 175.20 2g54 h LYS 884 N 0.00 0.67 -0.18 1.69 3.64 -0.22 -2.19 116.57 119.98 2g54 h LYS 884 Ca -0.00 -0.63 -0.08 0.00 -1.27 0.00 0.00 60.65 58.67 2g54 h LYS 884 Cb 0.37 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2g54 h LYS 884 CO 0.01 1.24 -0.25 0.45 -2.27 0.00 0.00 179.45 178.62 2g54 h HIS 885 N 0.34 0.36 -0.15 1.91 3.86 -0.98 -0.38 115.15 120.12 2g54 h HIS 885 Ca -0.08 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.04 2g54 h HIS 885 Cb 1.46 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.84 2g54 h HIS 885 CO 0.11 0.56 0.02 0.82 0.86 0.00 0.00 177.93 180.30 2g54 h ILE 886 N 0.29 1.22 -0.73 2.45 2.04 -1.39 -0.99 117.51 120.41 2g54 h ILE 886 Ca 0.05 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2g54 h ILE 886 Cb 0.61 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2g54 h ILE 886 CO 0.04 0.21 0.34 -0.61 0.00 0.00 0.00 178.15 178.13 2g54 h GLN 887 N 0.02 1.05 -0.10 2.37 5.75 -1.14 -0.43 115.11 122.64 2g54 h GLN 887 Ca 0.04 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2g54 h GLN 887 Cb 0.30 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 2g54 h GLN 887 CO 0.00 0.82 0.02 0.00 -2.65 0.00 0.00 178.83 177.03 2g54 h ALA 888 N 1.33 0.13 -0.56 3.38 0.00 -0.90 -1.48 119.26 121.14 2g54 h ALA 888 Ca 0.25 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2g54 h ALA 888 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2g54 h ALA 888 CO -0.03 -0.24 0.37 1.25 0.00 0.00 0.00 179.25 180.60 2g54 h LEU 889 N -0.05 0.64 -0.16 0.00 6.46 -0.90 -1.64 115.31 119.65 2g54 h LEU 889 Ca 0.03 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 2g54 h LEU 889 Cb 0.25 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.97 2g54 h LEU 889 CO 0.00 0.46 -0.16 0.00 -0.62 0.00 0.00 178.44 178.13 2g54 h ALA 890 N 1.21 -0.05 -1.00 1.25 0.00 -0.90 0.57 119.26 120.34 2g54 h ALA 890 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2g54 h ALA 890 Cb -0.08 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2g54 h ALA 890 CO -0.05 -0.60 0.66 0.82 0.00 0.00 0.00 179.25 180.08 2g54 h ILE 891 N -0.18 1.25 -0.64 0.00 2.04 -1.03 0.38 117.51 119.34 2g54 h ILE 891 Ca 0.10 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 2g54 h ILE 891 Cb 0.33 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 2g54 h ILE 891 CO -0.27 0.25 0.30 0.03 0.00 0.00 0.00 178.15 178.46 2g54 h ARG 892 N 1.35 0.92 -0.02 2.37 3.08 -0.39 -1.45 114.38 120.25 2g54 h ARG 892 Ca 0.37 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 60.11 2g54 h ARG 892 Cb -0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 2g54 h ARG 892 CO -0.08 0.74 -0.75 0.00 -1.07 0.00 0.00 179.97 178.82 2g54 h ARG 893 N 0.88 0.13 -0.02 0.04 2.47 -0.41 -3.24 114.38 114.24 2g54 h ARG 893 Ca 0.22 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2g54 h ARG 893 Cb 0.13 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2g54 h ARG 893 CO -0.03 0.82 -0.05 1.28 0.56 0.00 0.00 179.97 182.55 2g54 n LEU 894 N -3.72 1.62 -4.66 3.04 4.77 0.08 -4.91 117.00 113.21 2g54 n LEU 894 Ca -0.02 -0.53 -0.48 0.00 -0.03 0.00 0.00 56.01 54.95 2g54 n LEU 894 Cb 0.72 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2g54 n LEU 894 CO 0.45 0.27 1.54 -0.67 -1.33 0.00 0.00 177.39 177.66 2g54 n ASP 895 N 0.19 3.46 -4.73 -1.43 2.03 -0.56 -4.89 116.55 110.61 2g54 n ASP 895 Ca 0.17 0.90 -0.41 0.00 0.52 0.00 0.00 54.79 55.97 2g54 n ASP 895 Cb 0.39 -1.39 -0.03 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 4.37 4.47 0.41 -0.67 -0.14 -1.26 -5.00 119.74 121.92 2g54 s LYS 896 Ca 0.94 1.87 -0.26 0.00 -1.36 0.00 0.00 55.97 57.15 2g54 s LYS 896 Cb -0.66 -3.26 -0.09 0.00 -1.68 0.00 0.00 37.83 32.14 2g54 s LYS 896 CO 0.50 -0.14 1.39 -1.25 -0.76 0.00 0.00 175.35 175.09 2g54 s PRO 897 N 0.07 3.91 0.14 -1.68 0.04 -1.26 -4.92 135.00 131.30 2g54 s PRO 897 Ca 0.55 2.35 0.23 0.00 0.04 0.00 0.00 61.00 64.16 2g54 s PRO 897 Cb -0.32 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 2g54 s PRO 897 CO 0.35 -0.61 0.98 1.63 0.04 0.00 0.00 177.00 179.39 2g54 n LYS 898 N 0.11 0.54 -4.17 4.56 4.76 -1.26 -4.92 118.16 117.77 2g54 n LYS 898 Ca 0.03 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 2g54 n LYS 898 Cb 0.42 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 2g54 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2g54 s LYS 899 N -3.34 0.84 0.17 1.97 -2.85 -1.26 -4.15 119.74 111.12 2g54 s LYS 899 Ca -0.00 -1.34 -0.16 0.00 -1.00 0.00 0.00 55.97 53.46 2g54 s LYS 899 Cb 0.11 -0.17 0.11 0.00 -2.06 0.00 0.00 37.83 35.82 2g54 s LYS 899 CO 0.80 -0.04 1.68 1.25 0.10 0.00 0.00 175.35 179.14 2g54 h LEU 900 N 2.96 -0.30 -1.59 2.77 5.85 -1.95 -2.00 115.31 121.05 2g54 h LEU 900 Ca -0.35 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2g54 h LEU 900 Cb 1.17 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2g54 h LEU 900 CO 0.65 -0.10 0.30 0.77 -0.34 0.00 0.00 178.44 179.71 2g54 h SER 901 N 0.04 0.47 -0.22 1.25 4.64 -1.97 0.12 113.55 117.87 2g54 h SER 901 Ca 0.20 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 2g54 h SER 901 Cb 0.30 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2g54 h SER 901 CO -0.39 0.33 -0.51 0.00 -0.87 0.00 0.00 176.83 175.40 2g54 h ALA 902 N 1.73 0.56 -0.10 5.18 0.00 -1.80 -0.41 119.26 124.42 2g54 h ALA 902 Ca 0.17 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.37 2g54 h ALA 902 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2g54 h ALA 902 CO -0.04 0.68 -0.79 1.49 0.00 0.00 0.00 179.25 180.59 2g54 h GLU 903 N 0.63 0.60 -0.45 0.00 4.81 -1.03 -2.90 114.58 116.24 2g54 h GLU 903 Ca 0.02 -0.51 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2g54 h GLU 903 Cb 1.10 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2g54 h GLU 903 CO 0.11 1.13 0.21 0.00 -0.73 0.00 0.00 179.01 179.74 2g54 h ALA 905 N 1.06 1.34 -0.57 0.00 0.00 -1.05 0.24 119.26 120.28 2g54 h ALA 905 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2g54 h ALA 905 Cb 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2g54 h ALA 905 CO -0.02 0.51 0.33 0.87 0.00 0.00 0.00 179.25 180.94 2g54 h LYS 906 N 1.23 0.78 -0.46 0.00 1.57 -1.28 0.82 116.57 119.22 2g54 h LYS 906 Ca 0.41 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.99 2g54 h LYS 906 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2g54 h LYS 906 CO -0.14 0.58 -0.15 1.88 -0.57 0.00 0.00 179.45 181.05 2g54 h TYR 907 N 0.77 1.05 -0.55 -1.35 0.99 -0.91 -2.80 116.97 114.17 2g54 h TYR 907 Ca 0.20 -0.24 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 2g54 h TYR 907 Cb 0.01 -0.25 -0.03 0.00 1.00 0.00 0.00 36.73 37.47 2g54 h TYR 907 CO -0.02 1.03 0.28 2.35 -0.00 0.00 0.00 178.16 181.80 2g54 h TRP 908 N 0.77 0.75 -0.84 4.88 -0.00 -0.24 -1.53 115.95 119.74 2g54 h TRP 908 Ca 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.97 2g54 h TRP 908 Cb 0.71 -0.24 -0.04 0.00 -0.00 0.00 0.00 29.16 29.59 2g54 h TRP 908 CO 0.05 0.55 0.47 0.78 -0.00 0.00 0.00 178.44 180.29 2g54 h GLY 909 N 0.86 1.25 1.55 2.65 0.00 -0.58 0.15 103.07 108.94 2g54 h GLY 909 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 2g54 h GLY 909 CO -0.03 0.54 -0.24 0.83 0.00 0.00 0.00 176.54 177.63 2g54 h GLU 910 N 1.17 0.52 0.00 4.80 4.39 -1.12 -2.30 114.58 122.04 2g54 h GLU 910 Ca 0.30 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2g54 h GLU 910 Cb 0.02 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2g54 h GLU 910 CO -0.05 0.73 -0.00 0.82 -1.16 0.00 0.00 179.01 179.34 2g54 h ILE 911 N 0.46 1.54 -0.97 3.13 2.04 -0.79 0.18 117.51 123.10 2g54 h ILE 911 Ca 0.07 -1.64 0.06 0.00 1.00 0.00 0.00 64.86 64.35 2g54 h ILE 911 Cb 0.67 2.65 -0.06 0.00 -0.74 0.00 0.00 36.82 39.34 2g54 h ILE 911 CO 0.05 0.42 0.62 0.40 0.00 0.00 0.00 178.15 179.65 2g54 h ILE 912 N -0.71 1.09 0.00 -0.67 1.08 -0.75 -0.21 117.51 117.34 2g54 h ILE 912 Ca -0.00 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.08 2g54 h ILE 912 Cb 0.70 -0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 2g54 h ILE 912 CO 0.00 0.21 0.00 -1.54 -0.69 0.00 0.00 178.15 176.13 2g54 n SER 913 N -4.52 0.14 -2.54 1.72 3.41 -0.87 -4.91 113.62 106.06 2g54 n SER 913 Ca 0.14 0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 59.07 2g54 n SER 913 Cb 0.17 -0.55 0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2g54 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g54 n GLN 914 N -1.64 -3.28 -0.06 4.33 6.02 -0.09 -4.87 117.38 117.80 2g54 n GLN 914 Ca 0.06 0.88 -0.02 0.00 -0.01 0.00 0.00 57.00 57.91 2g54 n GLN 914 Cb 0.33 -5.53 -0.14 0.00 1.02 0.00 0.00 30.24 25.92 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 -3.39 1.00 -4.39 -1.09 6.02 -0.63 -4.07 117.38 110.82 2g54 n GLN 915 Ca -0.16 -0.07 -0.36 0.00 -0.01 0.00 0.00 57.00 56.41 2g54 n GLN 915 Cb 0.64 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.38 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 -2.44 -1.27 -3.23 1.08 4.02 -0.04 -0.96 117.16 114.31 2g54 n TYR 916 Ca -0.19 0.66 -0.44 0.00 -0.01 0.00 0.00 57.90 57.92 2g54 n TYR 916 Cb 0.84 -2.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.70 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 -2.70 5.81 0.26 7.72 2.85 -1.26 -4.60 115.26 123.34 2g54 n ASN 917 Ca -0.11 -3.16 0.13 0.00 -0.11 0.00 0.00 54.58 51.32 2g54 n ASN 917 Cb 0.58 -1.34 0.72 0.00 1.24 0.00 0.00 39.78 40.98 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 6.24 0.00 -0.54 1.20 0.04 -1.97 -2.11 116.94 119.79 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 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 2g54 h PHE 918 CO 0.84 0.12 0.00 -3.47 -0.60 0.00 0.00 178.31 175.20 2g54 n ASP 919 N -3.57 5.54 -0.19 2.17 4.64 -1.26 -4.69 116.55 119.19 2g54 n ASP 919 Ca -0.02 -2.94 -0.01 0.00 -1.38 0.00 0.00 54.79 50.44 2g54 n ASP 919 Cb 0.25 -0.67 0.06 0.00 -1.04 0.00 0.00 41.12 39.72 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 3.76 0.02 -0.46 -0.67 2.43 -1.79 -2.50 114.38 115.17 2g54 h ARG 920 Ca 0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2g54 h ARG 920 Cb 1.92 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.41 2g54 h ARG 920 CO 0.46 0.01 0.15 -0.44 -1.51 0.00 0.00 179.97 178.65 2g54 h ASP 921 N 0.02 0.14 -0.31 -3.80 3.32 -1.85 0.27 116.42 114.21 2g54 h ASP 921 Ca 0.29 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.34 2g54 h ASP 921 Cb 0.44 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2g54 h ASP 921 CO -0.58 0.11 -0.03 0.78 -1.72 0.00 0.00 179.24 177.81 2g54 h ASN 922 N 0.32 0.57 -0.06 6.45 -0.26 -1.89 -1.76 115.58 118.95 2g54 h ASN 922 Ca 0.22 -0.33 -0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2g54 h ASN 922 Cb 0.23 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2g54 h ASN 922 CO -0.23 0.76 0.03 0.74 -1.06 0.00 0.00 177.43 177.67 2g54 h THR 923 N 0.36 1.12 -0.35 2.81 2.02 -1.14 -1.78 112.91 115.95 2g54 h THR 923 Ca 0.09 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 2g54 h THR 923 Cb 0.49 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2g54 h THR 923 CO 0.02 0.10 -0.21 -0.33 0.37 0.00 0.00 175.52 175.47 2g54 h GLU 924 N -0.04 0.68 -0.39 6.66 5.08 -0.49 -2.51 114.58 123.56 2g54 h GLU 924 Ca 0.02 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 2g54 h GLU 924 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2g54 h GLU 924 CO -0.00 0.84 -0.28 0.28 -1.00 0.00 0.00 179.01 178.85 2g54 h VAL 925 N 0.60 1.28 -0.91 3.13 2.07 -1.30 0.11 116.25 121.23 2g54 h VAL 925 Ca 0.09 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.20 2g54 h VAL 925 Cb 0.69 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 2g54 h VAL 925 CO 0.05 0.48 0.60 0.00 0.02 0.00 0.00 177.57 178.72 2g54 h ALA 926 N 0.79 1.42 -0.11 1.67 0.00 -1.18 -0.75 119.26 121.11 2g54 h ALA 926 Ca 0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2g54 h ALA 926 Cb 0.85 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2g54 h ALA 926 CO 0.07 0.50 -0.75 -0.92 0.00 0.00 0.00 179.25 178.15 2g54 h TYR 927 N 1.14 0.75 -0.48 0.00 3.20 -1.27 -3.26 116.97 117.06 2g54 h TYR 927 Ca 0.36 -0.33 0.04 0.00 3.14 0.00 0.00 58.73 61.93 2g54 h TYR 927 Cb 0.00 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 2g54 h TYR 927 CO -0.00 1.12 0.26 1.25 -1.64 0.00 0.00 178.16 179.14 2g54 h LEU 928 N 0.38 0.38 0.00 2.82 7.12 0.11 -1.23 115.31 124.89 2g54 h LEU 928 Ca -0.04 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.99 2g54 h LEU 928 Cb 1.34 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.42 2g54 h LEU 928 CO 0.14 0.27 0.00 0.29 -0.13 0.00 0.00 178.44 179.01 2g54 n LYS 929 N -4.87 0.28 0.01 1.25 5.02 -0.39 -1.47 118.16 117.99 2g54 n LYS 929 Ca 0.04 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 2g54 n LYS 929 Cb 0.11 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.51 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 -0.99 0.30 -2.06 -0.18 -1.04 -0.47 -4.99 114.28 104.86 2g54 n THR 930 Ca 0.07 -0.55 -0.38 0.00 -2.04 0.00 0.00 64.05 61.15 2g54 n THR 930 Cb 0.03 -0.15 0.01 0.00 -1.82 0.00 0.00 70.33 68.40 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 -4.85 3.94 0.39 -4.42 1.02 -0.54 -5.05 118.68 109.17 2g54 s LEU 931 Ca -0.06 2.49 0.08 0.00 0.02 0.00 0.00 54.13 56.66 2g54 s LEU 931 Cb 0.12 -4.26 -0.06 0.00 0.02 0.00 0.00 46.19 42.00 2g54 s LEU 931 CO 0.87 -1.20 0.06 0.42 0.02 0.00 0.00 176.35 176.53 2g54 s THR 932 N -1.45 2.25 0.30 5.49 -4.23 -1.26 -5.02 115.64 111.72 2g54 s THR 932 Ca 0.67 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2g54 s THR 932 Cb -0.33 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.78 2g54 s THR 932 CO 0.40 -0.05 1.90 0.50 -0.54 0.00 0.00 174.62 176.83 2g54 h LYS 933 N 1.67 0.91 -0.92 3.99 3.64 -1.98 -2.05 116.57 121.83 2g54 h LYS 933 Ca -0.43 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 2g54 h LYS 933 Cb 1.25 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 2g54 h LYS 933 CO 0.74 0.70 0.61 1.49 -2.27 0.00 0.00 179.45 180.72 2g54 h GLU 934 N 0.91 1.20 -0.59 1.90 4.81 -1.99 0.05 114.58 120.88 2g54 h GLU 934 Ca 0.22 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 2g54 h GLU 934 Cb 0.09 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2g54 h GLU 934 CO -0.03 0.80 0.27 -0.44 -0.73 0.00 0.00 179.01 178.88 2g54 h ASP 935 N 1.24 0.78 0.37 1.04 3.32 -1.77 -0.63 116.42 120.76 2g54 h ASP 935 Ca 0.34 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.13 2g54 h ASP 935 Cb -0.12 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2g54 h ASP 935 CO -0.08 0.70 -0.54 0.40 -1.72 0.00 0.00 179.24 178.00 2g54 h ILE 936 N 0.80 1.37 -0.11 0.35 1.08 -1.21 -1.16 117.51 118.63 2g54 h ILE 936 Ca 0.20 -1.84 -0.02 0.00 -0.39 0.00 0.00 64.86 62.81 2g54 h ILE 936 Cb 0.13 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2g54 h ILE 936 CO -0.02 0.54 -0.03 0.40 -0.69 0.00 0.00 178.15 178.35 2g54 h ILE 937 N 0.15 1.29 -0.51 -0.67 1.08 -0.66 -2.00 117.51 116.18 2g54 h ILE 937 Ca 0.00 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2g54 h ILE 937 Cb 1.00 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.45 2g54 h ILE 937 CO 0.08 0.28 0.29 0.11 -0.69 0.00 0.00 178.15 178.22 2g54 h LYS 938 N -0.12 0.71 -0.51 2.37 1.57 -1.06 -0.68 116.57 118.85 2g54 h LYS 938 Ca 0.03 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2g54 h LYS 938 Cb 0.45 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2g54 h LYS 938 CO 0.01 0.54 0.19 0.35 -0.57 0.00 0.00 179.45 179.97 2g54 h PHE 939 N 0.68 0.34 -0.12 -1.35 3.57 -1.18 0.29 116.94 119.18 2g54 h PHE 939 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2g54 h PHE 939 Cb 0.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2g54 h PHE 939 CO -0.02 0.12 0.04 -0.92 -2.23 0.00 0.00 178.31 175.30 2g54 h TYR 940 N 0.38 0.19 0.00 0.41 5.03 -0.85 -0.34 116.97 121.79 2g54 h TYR 940 Ca 0.24 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 2g54 h TYR 940 Cb 0.25 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 2g54 h TYR 940 CO -0.15 0.31 -0.23 0.87 -1.32 0.00 0.00 178.16 177.63 2g54 h LYS 941 N 0.02 0.00 0.04 1.82 1.57 -0.82 0.46 116.57 119.66 2g54 h LYS 941 Ca 0.04 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 2g54 h LYS 941 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2g54 h LYS 941 CO -0.00 0.23 -1.71 1.49 -0.57 0.00 0.00 179.45 178.89 2g54 h GLU 942 N 0.00 0.08 0.00 3.15 4.81 -0.81 -3.37 114.58 118.44 2g54 h GLU 942 Ca -0.00 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.00 2g54 h GLU 942 Cb 0.44 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 2g54 h GLU 942 CO 0.03 0.73 -1.39 -1.33 -0.73 0.00 0.00 179.01 176.32 2g54 n MET 943 N -3.19 2.49 -0.08 1.92 2.81 -0.15 -1.91 117.12 119.01 2g54 n MET 943 Ca -0.19 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.56 2g54 n MET 943 Cb 1.04 -1.16 -0.07 0.00 -0.71 0.00 0.00 33.22 32.33 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 -2.13 2.59 -4.40 4.03 4.77 0.10 -4.13 117.00 117.83 2g54 n LEU 944 Ca -0.08 -0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 2g54 n LEU 944 Cb 0.60 -0.55 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2g54 n LEU 944 CO 0.13 0.68 -0.15 0.00 -1.33 0.00 0.00 177.39 176.72 2g54 n ALA 945 N -3.15 -1.73 -0.11 -1.18 0.00 0.12 -4.80 120.51 109.66 2g54 n ALA 945 Ca -0.30 -0.04 0.16 0.00 0.00 0.00 0.00 53.44 53.27 2g54 n ALA 945 Cb 0.79 -1.70 0.55 0.00 0.00 0.00 0.00 19.45 19.09 2g54 n ALA 945 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2g54 h VAL 946 N 0.15 0.80 -0.59 0.00 -1.51 -1.94 0.18 116.25 113.34 2g54 h VAL 946 Ca -0.44 -0.11 -0.22 0.00 -1.23 0.00 0.00 66.70 64.70 2g54 h VAL 946 Cb 1.41 0.46 -0.13 0.00 -2.13 0.00 0.00 31.29 30.90 2g54 h VAL 946 CO 0.45 0.06 0.20 -0.90 -1.23 0.00 0.00 177.57 176.15 2g54 n ASP 947 N -4.45 3.83 -4.73 4.19 3.85 -1.26 -5.00 116.55 112.98 2g54 n ASP 947 Ca 0.12 -3.41 -0.41 0.00 -0.71 0.00 0.00 54.79 50.38 2g54 n ASP 947 Cb 0.52 -0.70 -0.03 0.00 -1.35 0.00 0.00 41.12 39.57 2g54 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2g54 s ALA 948 N -3.09 3.55 0.51 2.12 0.00 0.05 -4.91 121.76 119.99 2g54 s ALA 948 Ca 0.50 1.14 0.37 0.00 0.00 0.00 0.00 51.96 53.97 2g54 s ALA 948 Cb 0.42 -3.50 1.95 0.00 0.00 0.00 0.00 23.12 21.99 2g54 s ALA 948 CO 0.08 -0.58 2.23 -1.00 0.00 0.00 0.00 175.76 176.49 2g54 h PRO 949 N 5.63 0.00 -0.40 0.00 0.13 -1.74 -2.91 132.00 132.71 2g54 h PRO 949 Ca -0.44 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.39 2g54 h PRO 949 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 2g54 h PRO 949 CO 0.79 0.03 -0.73 0.54 -0.23 0.00 0.00 178.00 178.39 2g54 n ARG 950 N -3.33 2.50 -2.42 0.86 1.74 -0.80 -3.99 116.66 111.21 2g54 n ARG 950 Ca -0.02 -3.67 -0.42 0.00 -0.77 0.00 0.00 57.85 52.97 2g54 n ARG 950 Cb 0.15 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 29.71 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 -3.27 4.38 -0.42 5.56 3.52 -1.10 -4.69 118.95 122.94 2g54 s ARG 951 Ca 0.43 1.74 0.03 0.00 -0.13 0.00 0.00 55.73 57.81 2g54 s ARG 951 Cb 0.39 -3.46 0.12 0.00 -1.56 0.00 0.00 34.95 30.43 2g54 s ARG 951 CO -0.02 -0.37 0.17 -1.01 -0.81 0.00 0.00 175.30 173.26 2g54 s HIS 952 N 1.71 2.95 -0.07 5.12 3.76 -1.25 -0.71 115.29 126.79 2g54 s HIS 952 Ca 0.58 -2.79 0.03 0.00 -0.15 0.00 0.00 55.06 52.72 2g54 s HIS 952 Cb -0.27 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 30.86 2g54 s HIS 952 CO 0.26 -0.83 -0.15 0.21 -0.85 0.00 0.00 174.74 173.38 2g54 s LYS 953 N 0.46 2.78 -0.02 1.40 2.20 -0.94 0.18 119.74 125.79 2g54 s LYS 953 Ca 0.14 -0.71 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2g54 s LYS 953 Cb -0.22 -2.44 0.01 0.00 -1.51 0.00 0.00 37.83 33.67 2g54 s LYS 953 CO -0.06 0.48 -0.04 0.08 -0.36 0.00 0.00 175.35 175.46 2g54 s VAL 954 N -0.36 0.40 -0.02 4.02 1.01 -0.58 -1.62 120.40 123.25 2g54 s VAL 954 Ca 0.04 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2g54 s VAL 954 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 2g54 s VAL 954 CO 0.02 0.16 -0.18 -0.44 0.00 0.00 0.00 175.10 174.67 2g54 s SER 955 N 0.54 2.09 -0.21 3.32 0.01 0.24 -0.60 113.70 119.10 2g54 s SER 955 Ca -0.06 -0.33 -0.02 0.00 1.31 0.00 0.00 55.95 56.85 2g54 s SER 955 Cb -0.10 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.81 2g54 s SER 955 CO -0.00 0.20 -0.09 -0.69 0.41 0.00 0.00 173.24 173.06 2g54 s VAL 956 N -0.30 2.94 -0.25 3.43 1.01 -0.40 -0.84 120.40 126.00 2g54 s VAL 956 Ca 0.04 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 2g54 s VAL 956 Cb -0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2g54 s VAL 956 CO 0.00 0.45 0.04 -1.00 0.00 0.00 0.00 175.10 174.60 2g54 s HIS 957 N 1.42 3.06 -0.27 5.22 3.76 0.99 -2.16 115.29 127.30 2g54 s HIS 957 Ca 0.05 -0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 2g54 s HIS 957 Cb -0.14 -2.21 0.02 0.00 1.11 0.00 0.00 32.58 31.37 2g54 s HIS 957 CO -0.06 -0.43 -0.01 0.08 -0.85 0.00 0.00 174.74 173.47 2g54 s VAL 958 N 1.57 3.21 0.39 -0.90 1.01 0.94 -0.34 120.40 126.28 2g54 s VAL 958 Ca 0.06 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 2g54 s VAL 958 Cb -0.15 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 2g54 s VAL 958 CO 0.02 0.14 0.85 -0.76 0.00 0.00 0.00 175.10 175.34 2g54 s LEU 959 N 1.37 3.96 0.82 3.92 1.43 0.64 -0.04 118.68 130.79 2g54 s LEU 959 Ca 0.00 1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 2g54 s LEU 959 Cb -0.17 -4.31 0.09 0.00 0.03 0.00 0.00 46.19 41.83 2g54 s LEU 959 CO -0.02 -0.32 1.10 0.00 0.23 0.00 0.00 176.35 177.34 2g54 s ALA 960 N -2.15 1.98 0.12 4.21 0.00 -1.21 -0.89 121.76 123.82 2g54 s ALA 960 Ca 0.58 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 2g54 s ALA 960 Cb -0.10 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2g54 s ALA 960 CO 0.18 -2.06 1.57 -0.09 0.00 0.00 0.00 175.76 175.36 2g54 h ARG 961 N -1.34 -0.57 -2.57 0.00 2.43 -0.36 -2.88 114.38 109.08 2g54 h ARG 961 Ca -0.44 0.04 -0.60 0.00 -0.81 0.00 0.00 59.98 58.16 2g54 h ARG 961 Cb 1.25 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 2g54 h ARG 961 CO 0.50 -0.38 2.22 0.39 -1.51 0.00 0.00 179.97 181.18 2g54 n GLU 962 N -5.45 3.61 -3.42 0.20 4.71 -1.26 -4.73 120.64 114.29 2g54 n GLU 962 Ca -0.06 -2.52 -0.14 0.00 -0.01 0.00 0.00 57.16 54.43 2g54 n GLU 962 Cb 0.38 -2.53 -0.10 0.00 -1.01 0.00 0.00 31.44 28.18 2g54 n GLU 962 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 2g54 s MET 963 N 0.20 0.27 0.03 3.49 1.75 -1.09 -5.06 119.30 118.90 2g54 s MET 963 Ca 0.62 0.27 -0.24 0.00 -1.25 0.00 0.00 55.69 55.09 2g54 s MET 963 Cb 0.23 -0.84 -0.17 0.00 2.84 0.00 0.00 34.83 36.90 2g54 s MET 963 CO -0.09 -0.72 1.44 0.38 -0.65 0.00 0.00 175.02 175.39 2g54 h ASP 964 N 8.25 0.08 -5.46 1.11 -0.00 -1.87 -3.44 116.42 115.08 2g54 h ASP 964 Ca -0.17 -0.32 -0.22 0.00 -0.00 0.00 0.00 57.03 56.32 2g54 h ASP 964 Cb 1.14 -0.02 -0.09 0.00 -0.00 0.00 0.00 39.33 40.36 2g54 h ASP 964 CO 0.29 0.38 -0.21 -0.94 -0.00 0.00 0.00 179.24 178.75 2g54 s SER 965 N -5.60 0.61 -0.28 4.15 1.04 -1.26 -5.13 113.70 107.23 2g54 s SER 965 Ca -0.15 -1.35 -0.24 0.00 0.48 0.00 0.00 55.95 54.70 2g54 s SER 965 Cb 0.04 0.62 0.10 0.00 0.10 0.00 0.00 66.02 66.88 2g54 s SER 965 CO 0.68 -1.22 0.90 0.00 0.98 0.00 0.00 173.24 174.58 2g54 s PRO 967 N 0.45 1.57 0.01 0.00 0.04 -1.26 -4.96 135.00 130.85 2g54 s PRO 967 Ca 0.00 1.04 0.22 0.00 0.04 0.00 0.00 61.00 62.31 2g54 s PRO 967 Cb -0.05 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 2g54 s PRO 967 CO -0.05 -2.08 1.01 1.55 0.04 0.00 0.00 177.00 177.46 2g54 n VAL 968 N -3.81 0.04 -3.70 -0.36 3.14 -1.26 -4.49 118.33 107.90 2g54 n VAL 968 Ca 0.08 -0.09 -0.13 0.00 -2.96 0.00 0.00 64.34 61.24 2g54 n VAL 968 Cb 0.54 0.59 -0.07 0.00 -1.06 0.00 0.00 33.84 33.83 2g54 n VAL 968 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2g54 s VAL 969 N -3.08 0.06 0.22 1.55 1.01 -1.26 -4.76 120.40 114.14 2g54 s VAL 969 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2g54 s VAL 969 Cb 0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2g54 s VAL 969 CO 0.82 -0.25 0.36 -0.83 0.00 0.00 0.00 175.10 175.20 2g54 s GLY 970 N -1.72 0.74 0.42 4.51 0.00 -1.26 -5.04 107.32 104.98 2g54 s GLY 970 Ca -0.08 -1.07 0.08 0.00 0.00 0.00 0.00 44.72 43.64 2g54 s GLY 970 CO 0.01 -0.84 0.41 -0.54 0.00 0.00 0.00 173.10 172.14 2g54 s GLU 971 N -4.04 2.57 0.00 2.90 8.01 -1.26 -4.93 118.70 121.95 2g54 s GLU 971 Ca 0.26 -1.50 0.00 0.00 0.01 0.00 0.00 54.97 53.73 2g54 s GLU 971 Cb 0.02 -2.43 0.00 0.00 -4.31 0.00 0.00 34.13 27.41 2g54 s GLU 971 CO 0.08 -0.22 0.00 0.09 0.01 0.00 0.00 175.26 175.22 2g54 n ASN 976 N -1.61 0.00 -3.18 -0.19 3.02 -1.26 -5.11 115.26 106.93 2g54 n ASN 976 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.64 2g54 n ASN 976 Cb 0.61 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2g54 n ASN 976 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2g54 s ASP 977 N 1.00 -0.35 0.00 6.41 1.11 -1.26 -5.05 116.67 118.52 2g54 s ASP 977 Ca 0.00 0.27 0.00 0.00 0.18 0.00 0.00 52.55 53.00 2g54 s ASP 977 Cb 0.00 1.32 0.00 0.00 1.07 0.00 0.00 42.92 45.31 2g54 s ASP 977 CO 0.00 -0.07 0.73 2.30 1.18 0.00 0.00 175.17 179.31 2g54 n ILE 978 N 5.32 0.53 0.00 0.77 -0.00 -1.26 -4.80 119.36 119.91 2g54 n ILE 978 Ca -0.08 -0.59 0.00 0.00 -0.00 0.00 0.00 62.75 62.08 2g54 n ILE 978 Cb 0.54 0.80 0.00 0.00 -0.00 0.00 0.00 39.64 40.98 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 -0.26 0.00 -4.79 7.28 6.94 -1.26 -5.08 115.26 118.09 2g54 n ASN 979 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.20 2g54 n ASN 979 Cb 0.29 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.63 2g54 n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2g54 s LEU 980 N 0.00 4.29 0.93 -4.53 1.43 -1.26 -5.09 118.68 114.44 2g54 s LEU 980 Ca 0.00 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2g54 s LEU 980 Cb 0.00 -2.08 0.15 0.00 0.03 0.00 0.00 46.19 44.29 2g54 s LEU 980 CO 0.00 0.28 1.10 -0.94 0.23 0.00 0.00 176.35 177.02 2g54 s SER 981 N -0.23 3.23 -0.26 2.29 1.04 -1.26 -4.77 113.70 113.75 2g54 s SER 981 Ca 0.11 1.24 -0.20 0.00 0.48 0.00 0.00 55.95 57.58 2g54 s SER 981 Cb -0.11 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 2g54 s SER 981 CO 0.01 -2.76 0.63 -1.58 0.98 0.00 0.00 173.24 170.52 2g54 s GLN 982 N -5.04 4.08 0.20 4.02 2.00 -1.26 -4.99 119.66 118.67 2g54 s GLN 982 Ca 0.64 0.50 -0.30 0.00 -2.00 0.00 0.00 55.36 54.20 2g54 s GLN 982 Cb -0.17 -3.66 -0.09 0.00 0.80 0.00 0.00 33.01 29.89 2g54 s GLN 982 CO 0.56 -0.44 1.29 0.00 -0.50 0.00 0.00 175.29 176.21 2g54 s ALA 983 N 2.52 3.51 0.78 1.58 0.00 -1.26 -4.62 121.76 124.27 2g54 s ALA 983 Ca 0.26 1.09 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 2g54 s ALA 983 Cb -0.15 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.56 2g54 s ALA 983 CO 0.09 -0.52 1.11 -1.25 0.00 0.00 0.00 175.76 175.19 2g54 s PRO 984 N -0.18 2.10 -0.06 0.00 0.04 -1.26 -4.98 135.00 130.66 2g54 s PRO 984 Ca 0.56 1.30 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 2g54 s PRO 984 Cb -0.36 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2g54 s PRO 984 CO 0.38 -1.78 0.68 0.00 0.04 0.00 0.00 177.00 176.32 2g54 s ALA 985 N -2.74 3.36 0.13 8.56 0.00 -1.26 -4.95 121.76 124.87 2g54 s ALA 985 Ca 0.64 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2g54 s ALA 985 Cb -0.19 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2g54 s ALA 985 CO 0.54 -0.06 0.35 -0.51 0.00 0.00 0.00 175.76 176.08 2g54 s LEU 986 N 0.65 4.28 0.00 0.00 1.43 -1.26 -5.10 118.68 118.68 2g54 s LEU 986 Ca 0.36 0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 53.83 2g54 s LEU 986 Cb -0.18 -3.26 0.24 0.00 0.03 0.00 0.00 46.19 43.02 2g54 s LEU 986 CO 0.18 0.07 1.14 -0.81 0.23 0.00 0.00 176.35 177.16 2g54 n PRO 987 N 0.12 -1.96 -2.86 1.29 -0.04 -1.26 -4.99 135.00 125.30 2g54 n PRO 987 Ca -0.03 -1.78 -0.42 0.00 -0.04 0.00 0.00 63.50 61.23 2g54 n PRO 987 Cb 0.52 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.56 2g54 n PRO 987 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2g54 s GLN 988 N -5.53 4.31 0.43 0.54 2.00 -1.26 -5.03 119.66 115.11 2g54 s GLN 988 Ca 0.68 1.07 -0.18 0.00 -2.00 0.00 0.00 55.36 54.93 2g54 s GLN 988 Cb -0.04 -3.57 -0.10 0.00 0.80 0.00 0.00 33.01 30.10 2g54 s GLN 988 CO 0.50 -0.34 0.90 -1.25 -0.50 0.00 0.00 175.29 174.60 2g54 s PRO 989 N 2.19 4.09 -0.37 1.67 0.04 -1.26 -4.94 135.00 136.43 2g54 s PRO 989 Ca 0.40 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.18 2g54 s PRO 989 Cb -0.17 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2g54 s PRO 989 CO 0.13 -0.05 0.63 -2.00 0.04 0.00 0.00 177.00 175.74 2g54 s GLU 990 N -3.39 3.63 0.06 4.56 2.12 -0.50 -4.91 118.70 120.26 2g54 s GLU 990 Ca 0.59 -0.01 -0.30 0.00 0.36 0.00 0.00 54.97 55.60 2g54 s GLU 990 Cb -0.10 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 2g54 s GLU 990 CO 0.19 -0.76 1.08 0.08 -0.54 0.00 0.00 175.26 175.31 2g54 s VAL 991 N 2.70 4.37 -0.27 3.70 1.01 -1.26 -1.94 120.40 128.71 2g54 s VAL 991 Ca 0.24 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.76 2g54 s VAL 991 Cb -0.14 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2g54 s VAL 991 CO 0.15 0.17 0.70 -0.63 0.00 0.00 0.00 175.10 175.49 2g54 s ILE 992 N 0.80 4.91 -0.18 2.22 1.01 -0.09 -4.92 121.20 124.95 2g54 s ILE 992 Ca 0.54 1.20 0.17 0.00 0.00 0.00 0.00 60.65 62.56 2g54 s ILE 992 Cb -0.26 -4.02 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 2g54 s ILE 992 CO 0.29 -0.06 0.16 0.00 0.00 0.00 0.00 174.94 175.33 2g54 n GLN 993 N 5.88 0.68 -3.70 2.79 3.00 -1.26 -4.66 117.38 120.12 2g54 n GLN 993 Ca 0.01 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.83 2g54 n GLN 993 Cb 0.48 -1.56 -0.18 0.00 0.00 0.00 0.00 30.24 28.98 2g54 n GLN 993 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2g54 s ASN 994 N -5.62 1.46 0.21 1.08 3.84 -1.26 -5.04 114.94 109.62 2g54 s ASN 994 Ca -0.10 -0.07 -0.09 0.00 0.21 0.00 0.00 52.86 52.81 2g54 s ASN 994 Cb 0.06 -0.26 0.26 0.00 -0.55 0.00 0.00 41.25 40.77 2g54 s ASN 994 CO 0.82 -0.25 1.80 0.24 -2.79 0.00 0.00 177.10 176.93 2g54 h MET 995 N 8.40 0.67 -0.19 0.43 2.86 -1.99 -1.51 114.93 123.59 2g54 h MET 995 Ca -0.15 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2g54 h MET 995 Cb 1.12 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 2g54 h MET 995 CO 0.20 0.44 0.06 1.15 1.06 0.00 0.00 176.91 179.82 2g54 h THR 996 N 0.69 0.94 -0.78 2.22 2.02 -1.97 -1.98 112.91 114.05 2g54 h THR 996 Ca 0.31 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 2g54 h THR 996 Cb 0.22 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2g54 h THR 996 CO -0.20 0.03 0.39 -0.33 0.37 0.00 0.00 175.52 175.78 2g54 h GLU 997 N 0.15 1.11 -0.18 6.66 5.08 -1.92 -1.39 114.58 124.08 2g54 h GLU 997 Ca 0.08 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2g54 h GLU 997 Cb 0.06 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 2g54 h GLU 997 CO -0.09 0.84 -0.05 0.35 -1.00 0.00 0.00 179.01 179.06 2g54 h PHE 998 N 1.10 -0.11 -0.37 4.33 3.57 -0.79 -1.42 116.94 123.26 2g54 h PHE 998 Ca 0.27 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.66 2g54 h PHE 998 Cb 0.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2g54 h PHE 998 CO 0.01 -0.08 -0.29 0.87 -2.23 0.00 0.00 178.31 176.59 2g54 h LYS 999 N -0.01 0.79 -0.71 1.11 1.57 -1.08 -3.11 116.57 115.12 2g54 h LYS 999 Ca 0.09 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 2g54 h LYS 999 Cb 0.14 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 2g54 h LYS 999 CO -0.19 0.98 0.35 0.00 -0.57 0.00 0.00 179.45 180.02 2g54 h ARG 1000N 0.67 1.01 -0.16 3.15 3.08 -0.94 -2.63 114.38 118.55 2g54 h ARG 1000Ca 0.08 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2g54 h ARG 1000Cb 0.82 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2g54 h ARG 1000CO 0.07 0.77 0.00 0.41 -1.07 0.00 0.00 179.97 180.15 2g54 n GLY 1001N -1.11 -0.29 3.15 0.04 0.00 -0.56 -4.83 105.19 101.59 2g54 n GLY 1001Ca 0.07 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.98 2.28 0.94 0.99 1.02 -0.99 -5.08 118.68 116.85 2g54 s LEU 1002Ca 0.09 -0.62 -0.14 0.00 0.02 0.00 0.00 54.13 53.49 2g54 s LEU 1002Cb 0.05 -0.45 0.16 0.00 0.02 0.00 0.00 46.19 45.97 2g54 s LEU 1002CO 0.06 -0.11 1.18 -2.16 0.02 0.00 0.00 176.35 175.34 2g54 s PRO 1003N -1.78 0.92 -0.05 1.29 0.04 -1.26 -4.86 135.00 129.30 2g54 s PRO 1003Ca -0.03 0.09 0.07 0.00 0.04 0.00 0.00 61.00 61.17 2g54 s PRO 1003Cb -0.10 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 2g54 s PRO 1003CO 0.02 -2.31 -0.25 -0.51 0.04 0.00 0.00 177.00 173.99 2g54 s LEU 1004N -6.03 2.07 0.86 -3.56 1.43 -1.26 -1.11 118.68 111.08 2g54 s LEU 1004Ca 0.66 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 2g54 s LEU 1004Cb -0.12 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.85 2g54 s LEU 1004CO 0.53 0.27 1.13 -0.36 0.23 0.00 0.00 176.35 178.15 2g54 s PHE 1005N -0.29 1.94 0.71 0.29 0.40 -0.65 -4.85 117.98 115.53 2g54 s PHE 1005Ca 0.00 1.71 -0.09 0.00 -0.60 0.00 0.00 56.93 57.95 2g54 s PHE 1005Cb -0.13 -3.26 0.16 0.00 0.51 0.00 0.00 43.02 40.30 2g54 s PHE 1005CO 0.02 -2.49 0.97 -0.35 0.70 0.00 0.00 175.22 174.07 2g54 n PRO 1006N -3.91 -0.71 -3.91 0.24 -0.04 -1.26 -4.59 135.00 120.82 2g54 n PRO 1006Ca 0.11 -1.76 -0.28 0.00 -0.04 0.00 0.00 63.50 61.53 2g54 n PRO 1006Cb 0.52 -0.91 -0.03 0.00 -0.04 0.00 0.00 33.50 33.04 2g54 n PRO 1006CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2g54 s LEU 1007N 0.00 4.34 0.15 1.53 2.01 -1.26 -4.84 118.68 120.60 2g54 s LEU 1007Ca 0.57 0.23 -0.30 0.00 0.01 0.00 0.00 54.13 54.64 2g54 s LEU 1007Cb -0.02 -2.96 -0.08 0.00 0.01 0.00 0.00 46.19 43.15 2g54 s LEU 1007CO 0.39 0.08 1.28 -0.69 1.01 0.00 0.00 176.35 178.43 2g54 s VAL 1008N -1.68 3.47 0.21 -1.59 1.01 -1.26 -4.98 120.40 115.58 2g54 s VAL 1008Ca 0.35 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 2g54 s VAL 1008Cb -0.12 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2g54 s VAL 1008CO 0.28 0.14 1.23 -0.54 0.00 0.00 0.00 175.10 176.21 2g54 s LYS 1009N 0.38 4.46 0.76 2.72 1.02 -1.26 -4.91 119.74 122.92 2g54 s LYS 1009Ca 0.58 1.95 -0.14 0.00 0.02 0.00 0.00 55.97 58.38 2g54 s LYS 1009Cb -0.34 -3.21 0.06 0.00 -0.52 0.00 0.00 37.83 33.82 2g54 s LYS 1009CO 0.34 -0.12 1.22 -2.14 -0.92 0.00 0.00 175.35 173.73 2g54 s PRO 1010N -0.43 1.89 0.10 -1.68 0.02 -1.26 -4.88 135.00 128.76 2g54 s PRO 1010Ca 0.53 1.80 -0.22 0.00 0.02 0.00 0.00 61.00 63.13 2g54 s PRO 1010Cb -0.34 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 2g54 s PRO 1010CO 0.39 -2.03 0.66 -1.58 -0.33 0.00 0.00 177.00 174.11 2g54 s HIS 1011N -2.00 3.83 -0.47 6.54 2.46 -0.14 -5.01 115.29 120.51 2g54 s HIS 1011Ca 0.75 1.42 -0.27 0.00 0.47 0.00 0.00 55.06 57.42 2g54 s HIS 1011Cb -0.30 -2.63 0.03 0.00 -0.13 0.00 0.00 32.58 29.55 2g54 s HIS 1011CO 0.48 0.52 1.04 0.96 -2.47 0.00 0.00 174.74 175.27 2g54 s ILE 1012N -0.98 4.32 -0.39 0.89 -0.00 -1.26 -4.73 121.20 119.04 2g54 s ILE 1012Ca 0.32 1.00 -0.05 0.00 -0.00 0.00 0.00 60.65 61.92 2g54 s ILE 1012Cb -0.21 -4.53 0.09 0.00 -0.00 0.00 0.00 42.46 37.81 2g54 s ILE 1012CO 0.22 -0.94 0.19 0.20 -0.00 0.00 0.00 174.94 174.61 2g54 s ASN 1013N 2.38 5.33 -0.39 4.36 0.01 -1.26 -5.08 114.94 120.29 2g54 s ASN 1013Ca 0.43 -1.71 -0.21 0.00 -0.71 0.00 0.00 52.86 50.67 2g54 s ASN 1013Cb -0.08 -1.87 0.01 0.00 0.41 0.00 0.00 41.25 39.72 2g54 s ASN 1013CO 0.29 -0.49 0.65 0.72 -1.51 0.00 0.00 177.10 176.76 2g54 s PHE 1014N 1.26 3.11 0.00 2.20 -0.12 -1.26 -4.85 117.98 118.33 2g54 s PHE 1014Ca 0.04 0.21 0.00 0.00 -0.05 0.00 0.00 56.93 57.13 2g54 s PHE 1014Cb -0.22 -3.24 0.00 0.00 -0.63 0.00 0.00 43.02 38.93 2g54 s PHE 1014CO -0.01 -0.73 0.00 -1.33 -0.05 0.00 0.00 175.22 173.10 2g54 n MET 1015N 6.16 0.00 0.00 1.99 0.00 -1.26 -4.99 117.12 119.02 2g54 n MET 1015Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.74 2g54 n MET 1015Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.74 2g54 n MET 1015CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97