#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg4 s ASN 44 N 0.00 3.12 0.66 6.41 3.84 -1.26 -5.01 114.94 122.69 2jg4 s ASN 44 Ca 0.00 -1.02 0.42 0.00 0.21 0.00 0.00 52.86 52.47 2jg4 s ASN 44 Cb 0.00 -0.51 2.31 0.00 -0.55 0.00 0.00 41.25 42.50 2jg4 s ASN 44 CO 0.00 -0.36 2.34 1.55 -2.79 0.00 0.00 177.10 177.84 2jg4 h PRO 45 N 8.29 0.00 0.00 0.43 0.13 -2.05 -2.63 132.00 136.18 2jg4 h PRO 45 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 2jg4 h PRO 45 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jg4 h PRO 45 CO 0.37 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.02 2jg4 h ALA 46 N 1.98 0.92 -3.10 -0.56 0.00 -1.99 -3.43 119.26 113.08 2jg4 h ALA 46 Ca 0.00 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 54.15 2jg4 h ALA 46 Cb 0.02 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 17.57 2jg4 h ALA 46 CO -0.00 0.16 -0.65 0.42 0.00 0.00 0.00 179.25 179.17 2jg4 s ILE 47 N -3.17 4.01 0.13 0.00 1.01 -0.99 0.37 121.20 122.56 2jg4 s ILE 47 Ca 0.06 -0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 2jg4 s ILE 47 Cb 0.06 -2.82 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 2jg4 s ILE 47 CO 0.68 0.42 1.45 0.50 0.00 0.00 0.00 174.94 178.00 2jg4 h LYS 48 N 7.57 0.90 -1.50 2.79 3.64 -0.69 -3.43 116.57 125.84 2jg4 h LYS 48 Ca -0.36 -0.49 0.10 0.00 -1.27 0.00 0.00 60.65 58.62 2jg4 h LYS 48 Cb 1.18 0.02 -0.24 0.00 -0.41 0.00 0.00 32.23 32.78 2jg4 h LYS 48 CO 0.61 1.14 0.58 -0.98 -2.27 0.00 0.00 179.45 178.53 2jg4 s ARG 49 N -4.35 0.51 0.10 1.90 1.70 -1.03 -4.99 118.95 112.80 2jg4 s ARG 49 Ca -0.11 0.20 -0.14 0.00 -0.47 0.00 0.00 55.73 55.21 2jg4 s ARG 49 Cb 0.11 0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.66 2jg4 s ARG 49 CO 0.88 -0.14 0.50 0.42 -1.08 0.00 0.00 175.30 175.87 2jg4 s ILE 50 N -0.84 4.92 0.73 4.99 -1.09 -1.26 -1.25 121.20 127.39 2jg4 s ILE 50 Ca 0.00 0.80 -0.11 0.00 -2.23 0.00 0.00 60.65 59.11 2jg4 s ILE 50 Cb -0.01 -3.73 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2jg4 s ILE 50 CO -0.01 0.35 1.10 -0.83 -1.23 0.00 0.00 174.94 174.31 2jg4 s GLY 51 N -1.55 1.62 0.49 6.18 0.00 0.45 -4.94 107.32 109.58 2jg4 s GLY 51 Ca 0.33 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 2jg4 s GLY 51 CO 0.18 -0.13 0.54 0.70 0.00 0.00 0.00 173.10 174.39 2jg4 n ASN 52 N -3.05 -0.75 -4.55 1.64 5.03 -1.26 -4.78 115.26 107.53 2jg4 n ASN 52 Ca 0.07 -1.00 -0.52 0.00 0.87 0.00 0.00 54.58 54.00 2jg4 n ASN 52 Cb 0.59 -0.45 -0.05 0.00 -1.02 0.00 0.00 39.78 38.84 2jg4 n ASN 52 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2jg4 n HIS 53 N -3.20 1.09 -3.10 3.10 -0.00 -1.26 -4.72 115.22 107.13 2jg4 n HIS 53 Ca 0.07 0.77 -0.42 0.00 -0.00 0.00 0.00 57.72 58.14 2jg4 n HIS 53 Cb 0.26 -2.23 -0.07 0.00 -0.00 0.00 0.00 29.99 27.95 2jg4 n HIS 53 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2jg4 s ILE 54 N 0.01 4.84 0.12 3.57 -1.09 -1.26 -4.66 121.20 122.73 2jg4 s ILE 54 Ca 0.80 0.38 -0.31 0.00 -2.23 0.00 0.00 60.65 59.29 2jg4 s ILE 54 Cb -0.98 -4.15 -0.10 0.00 -1.58 0.00 0.00 42.46 35.65 2jg4 s ILE 54 CO 0.52 -0.47 1.76 -0.89 -1.23 0.00 0.00 174.94 174.63 2jg4 s THR 55 N 2.81 2.63 0.34 2.92 2.01 -0.91 -4.98 115.64 120.47 2jg4 s THR 55 Ca 0.24 0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.46 2jg4 s THR 55 Cb -0.14 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2jg4 s THR 55 CO 0.17 0.00 0.07 -1.59 -0.69 0.00 0.00 174.62 172.59 2jg4 s LYS 56 N 2.52 1.70 0.28 4.92 -2.85 -1.26 -4.32 119.74 120.74 2jg4 s LYS 56 Ca 0.78 -1.97 -0.29 0.00 -1.00 0.00 0.00 55.97 53.49 2jg4 s LYS 56 Cb -0.45 -0.78 -0.10 0.00 -2.06 0.00 0.00 37.83 34.45 2jg4 s LYS 56 CO 0.35 -0.26 1.27 0.45 0.10 0.00 0.00 175.35 177.25 2jg4 s SER 57 N -3.50 6.91 0.00 0.03 0.15 -1.26 -4.89 113.70 111.13 2jg4 s SER 57 Ca 0.33 2.52 0.05 0.00 0.70 0.00 0.00 55.95 59.55 2jg4 s SER 57 Cb 0.07 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 61.99 2jg4 s SER 57 CO 0.15 -0.45 1.14 -0.81 1.20 0.00 0.00 173.24 174.47 2jg4 n PRO 58 N 1.46 0.01 0.00 5.44 -0.04 -1.26 -2.44 135.00 138.17 2jg4 n PRO 58 Ca 0.02 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 2jg4 n PRO 58 Cb 0.43 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.01 2jg4 n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jg4 n GLU 59 N -1.46 0.98 -3.58 0.54 -0.58 -1.26 -4.84 120.64 110.44 2jg4 n GLU 59 Ca 0.02 -0.39 -0.40 0.00 -0.42 0.00 0.00 57.16 55.97 2jg4 n GLU 59 Cb 0.06 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.33 2jg4 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jg4 s ASP 60 N -2.29 5.85 0.05 1.62 -1.08 -1.02 -4.88 116.67 114.92 2jg4 s ASP 60 Ca 0.34 -0.51 0.23 0.00 -0.52 0.00 0.00 52.55 52.08 2jg4 s ASP 60 Cb 0.20 -2.08 0.13 0.00 -1.46 0.00 0.00 42.92 39.71 2jg4 s ASP 60 CO 0.43 -0.24 1.10 0.29 0.52 0.00 0.00 175.17 177.28 2jg4 n LYS 61 N 5.05 0.25 -1.75 4.34 4.76 -1.26 -4.87 118.16 124.69 2jg4 n LYS 61 Ca -0.13 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 54.98 2jg4 n LYS 61 Cb 0.49 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 32.14 2jg4 n LYS 61 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jg4 s ARG 62 N -3.17 2.66 0.03 1.97 0.52 -1.26 -4.99 118.95 114.71 2jg4 s ARG 62 Ca 0.05 1.64 0.04 0.00 -0.52 0.00 0.00 55.73 56.94 2jg4 s ARG 62 Cb 0.15 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 2jg4 s ARG 62 CO 0.78 -1.41 -0.08 -1.21 0.02 0.00 0.00 175.30 173.40 2jg4 s GLU 63 N -3.78 2.43 0.02 3.54 2.02 -0.73 -4.95 118.70 117.25 2jg4 s GLU 63 Ca 0.72 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.93 2jg4 s GLU 63 Cb -0.26 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2jg4 s GLU 63 CO 0.39 0.57 -0.08 0.71 0.02 0.00 0.00 175.26 176.88 2jg4 s TYR 64 N -1.05 0.66 -0.07 1.61 1.51 -1.26 -1.45 117.35 117.30 2jg4 s TYR 64 Ca 0.18 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 2jg4 s TYR 64 Cb -0.11 -0.41 0.04 0.00 -0.11 0.00 0.00 41.96 41.37 2jg4 s TYR 64 CO 0.09 -0.04 0.14 0.50 -1.11 0.00 0.00 175.55 175.14 2jg4 s ARG 65 N -0.87 0.05 0.13 -0.62 3.52 -0.55 -4.73 118.95 115.87 2jg4 s ARG 65 Ca -0.03 0.45 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 2jg4 s ARG 65 Cb -0.06 -0.24 -0.06 0.00 -1.56 0.00 0.00 34.95 33.03 2jg4 s ARG 65 CO 0.00 -0.24 0.43 0.20 -0.81 0.00 0.00 175.30 174.89 2jg4 s GLY 66 N 1.73 2.31 0.18 8.12 0.00 -1.26 -0.44 107.32 117.96 2jg4 s GLY 66 Ca -0.03 -0.39 -0.22 0.00 0.00 0.00 0.00 44.72 44.08 2jg4 s GLY 66 CO -0.06 -0.21 0.61 0.48 0.00 0.00 0.00 173.10 173.92 2jg4 s LEU 67 N -2.26 -0.40 -0.09 0.66 0.05 -0.38 -0.41 118.68 115.84 2jg4 s LEU 67 Ca 0.38 -0.18 0.04 0.00 0.05 0.00 0.00 54.13 54.42 2jg4 s LEU 67 Cb -0.13 2.55 0.00 0.00 -2.05 0.00 0.00 46.19 46.56 2jg4 s LEU 67 CO 0.20 -1.05 -0.21 -0.70 -0.55 0.00 0.00 176.35 174.04 2jg4 s GLU 68 N -3.80 2.75 0.80 1.48 2.12 -0.38 -0.32 118.70 121.35 2jg4 s GLU 68 Ca 0.04 -0.78 -0.12 0.00 0.36 0.00 0.00 54.97 54.47 2jg4 s GLU 68 Cb -0.02 -2.10 0.07 0.00 0.26 0.00 0.00 34.13 32.34 2jg4 s GLU 68 CO -0.08 0.15 1.10 -0.51 -0.54 0.00 0.00 175.26 175.38 2jg4 s LEU 69 N 0.41 2.59 0.38 2.70 1.43 -0.08 -0.19 118.68 125.93 2jg4 s LEU 69 Ca -0.18 1.27 0.09 0.00 -1.03 0.00 0.00 54.13 54.28 2jg4 s LEU 69 Cb -0.17 -3.88 0.86 0.00 0.03 0.00 0.00 46.19 43.02 2jg4 s LEU 69 CO 0.08 -1.95 1.94 0.00 0.23 0.00 0.00 176.35 176.65 2jg4 h ALA 70 N -1.07 1.85 -0.00 4.21 0.00 -0.35 -1.30 119.26 122.59 2jg4 h ALA 70 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jg4 h ALA 70 Cb 1.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jg4 h ALA 70 CO 0.60 -0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.11 2jg4 n ASN 71 N -4.50 0.42 0.00 0.00 0.23 -1.26 -4.89 115.26 105.26 2jg4 n ASN 71 Ca 0.13 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2jg4 n ASN 71 Cb 0.35 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 2jg4 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jg4 n GLY 72 N 1.05 0.49 3.67 4.83 0.00 -0.49 -3.47 105.19 111.27 2jg4 n GLY 72 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2jg4 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg4 s ILE 73 N -2.12 3.70 0.10 -0.61 1.01 -1.22 -4.66 121.20 117.40 2jg4 s ILE 73 Ca 0.00 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 2jg4 s ILE 73 Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2jg4 s ILE 73 CO 0.00 -0.04 0.92 -0.54 0.00 0.00 0.00 174.94 175.28 2jg4 s LYS 74 N 3.12 4.66 -0.03 2.79 1.02 -0.94 -0.90 119.74 129.47 2jg4 s LYS 74 Ca 0.66 1.38 0.02 0.00 0.02 0.00 0.00 55.97 58.05 2jg4 s LYS 74 Cb -0.31 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2jg4 s LYS 74 CO 0.26 0.23 -0.07 0.08 -0.92 0.00 0.00 175.35 174.93 2jg4 s VAL 75 N -0.03 0.66 -0.16 3.17 1.01 0.57 -0.63 120.40 124.99 2jg4 s VAL 75 Ca 0.45 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2jg4 s VAL 75 Cb -0.23 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2jg4 s VAL 75 CO 0.29 0.22 -0.18 -0.22 0.00 0.00 0.00 175.10 175.21 2jg4 s LEU 76 N 0.37 2.30 -0.13 3.92 1.98 -0.18 -1.25 118.68 125.70 2jg4 s LEU 76 Ca -0.05 -0.55 -0.05 0.00 -2.89 0.00 0.00 54.13 50.59 2jg4 s LEU 76 Cb -0.10 -1.51 -0.04 0.00 0.66 0.00 0.00 46.19 45.20 2jg4 s LEU 76 CO 0.00 0.06 0.05 -0.76 -1.89 0.00 0.00 176.35 173.81 2jg4 s LEU 77 N 0.97 3.80 -0.15 -0.68 1.43 0.41 -1.64 118.68 122.82 2jg4 s LEU 77 Ca -0.03 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2jg4 s LEU 77 Cb -0.15 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2jg4 s LEU 77 CO -0.04 0.31 -0.12 -0.63 0.23 0.00 0.00 176.35 176.10 2jg4 s ILE 78 N -0.44 1.47 -0.23 -0.59 1.01 0.12 -1.49 121.20 121.04 2jg4 s ILE 78 Ca 0.09 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 2jg4 s ILE 78 Cb -0.12 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 2jg4 s ILE 78 CO 0.02 0.39 0.06 -0.55 0.00 0.00 0.00 174.94 174.85 2jg4 s SER 79 N 1.52 5.13 -0.37 3.58 0.15 -0.53 -1.36 113.70 121.82 2jg4 s SER 79 Ca 0.04 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2jg4 s SER 79 Cb -0.13 -1.91 0.13 0.00 -1.71 0.00 0.00 66.02 62.40 2jg4 s SER 79 CO -0.10 0.01 0.21 -0.62 1.20 0.00 0.00 173.24 173.93 2jg4 s ASP 80 N 1.37 3.33 0.00 5.45 2.15 -0.52 -1.77 116.67 126.68 2jg4 s ASP 80 Ca 0.05 -2.24 0.09 0.00 0.43 0.00 0.00 52.55 50.88 2jg4 s ASP 80 Cb -0.15 -0.66 0.49 0.00 -0.30 0.00 0.00 42.92 42.30 2jg4 s ASP 80 CO 0.03 -0.31 1.04 -2.65 -0.17 0.00 0.00 175.17 173.11 2jg4 n PRO 81 N 4.01 0.21 0.00 4.34 -0.02 -1.26 -1.54 135.00 140.75 2jg4 n PRO 81 Ca 0.08 0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2jg4 n PRO 81 Cb 0.37 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.26 2jg4 n PRO 81 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jg4 n THR 82 N -1.11 0.00 -2.15 3.45 -2.24 -1.26 -4.92 114.28 106.05 2jg4 n THR 82 Ca 0.06 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 2jg4 n THR 82 Cb 0.04 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 2jg4 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jg4 s THR 83 N -2.64 2.89 -0.05 4.28 -1.32 -0.59 -4.95 115.64 113.26 2jg4 s THR 83 Ca 0.08 0.82 -0.21 0.00 -1.21 0.00 0.00 61.69 61.17 2jg4 s THR 83 Cb 0.14 -3.52 -0.31 0.00 -1.51 0.00 0.00 72.50 67.30 2jg4 s THR 83 CO 0.71 0.16 0.87 0.44 -2.21 0.00 0.00 174.62 174.59 2jg4 h ASP 84 N 4.29 0.49 -3.29 8.08 3.32 -1.94 -3.45 116.42 123.91 2jg4 h ASP 84 Ca -0.47 -0.94 -0.67 0.00 0.02 0.00 0.00 57.03 54.96 2jg4 h ASP 84 Cb 1.22 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2jg4 h ASP 84 CO 0.71 1.44 -0.62 -0.54 -1.72 0.00 0.00 179.24 178.51 2jg4 s LYS 85 N -2.44 2.96 0.44 3.56 1.02 -1.26 -1.75 119.74 122.27 2jg4 s LYS 85 Ca -0.14 -0.45 0.07 0.00 0.02 0.00 0.00 55.97 55.47 2jg4 s LYS 85 Cb 0.01 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 2jg4 s LYS 85 CO 0.83 0.68 0.61 -1.12 -0.92 0.00 0.00 175.35 175.44 2jg4 s SER 86 N -1.10 5.59 -0.04 2.83 0.01 0.63 -4.80 113.70 116.81 2jg4 s SER 86 Ca 0.15 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.82 2jg4 s SER 86 Cb -0.11 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.46 2jg4 s SER 86 CO 0.05 -0.83 0.58 -0.55 0.41 0.00 0.00 173.24 172.90 2jg4 s SER 87 N -4.36 -0.54 0.05 2.44 0.15 -0.10 -1.69 113.70 109.66 2jg4 s SER 87 Ca 0.55 0.57 -0.05 0.00 0.70 0.00 0.00 55.95 57.72 2jg4 s SER 87 Cb -0.10 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.69 2jg4 s SER 87 CO 0.34 -0.56 0.07 0.00 1.20 0.00 0.00 173.24 174.30 2jg4 s ALA 88 N -1.19 0.06 -0.05 5.45 0.00 -0.99 -0.04 121.76 125.01 2jg4 s ALA 88 Ca -0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 2jg4 s ALA 88 Cb -0.01 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.43 2jg4 s ALA 88 CO 0.08 -0.36 0.38 0.00 0.00 0.00 0.00 175.76 175.87 2jg4 s ALA 89 N -3.11 -0.96 -0.02 0.00 0.00 -0.09 -1.81 121.76 115.77 2jg4 s ALA 89 Ca -0.01 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.64 2jg4 s ALA 89 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2jg4 s ALA 89 CO -0.07 -0.26 -0.15 -1.17 0.00 0.00 0.00 175.76 174.11 2jg4 s LEU 90 N -0.96 1.99 -0.15 0.00 0.20 -0.16 -1.20 118.68 118.40 2jg4 s LEU 90 Ca -0.10 -0.29 0.01 0.00 0.69 0.00 0.00 54.13 54.44 2jg4 s LEU 90 Cb -0.04 -0.82 0.02 0.00 -0.43 0.00 0.00 46.19 44.92 2jg4 s LEU 90 CO 0.04 0.18 -0.15 -0.62 -0.29 0.00 0.00 176.35 175.51 2jg4 s ASP 91 N -0.25 2.71 -0.15 3.68 2.15 -0.00 -0.79 116.67 124.01 2jg4 s ASP 91 Ca 0.04 -0.50 -0.13 0.00 0.43 0.00 0.00 52.55 52.39 2jg4 s ASP 91 Cb -0.07 -1.20 -0.05 0.00 -0.30 0.00 0.00 42.92 41.30 2jg4 s ASP 91 CO -0.00 -0.04 0.26 -0.69 -0.17 0.00 0.00 175.17 174.53 2jg4 s VAL 92 N 1.38 5.32 -0.01 1.11 1.01 0.46 -1.68 120.40 127.98 2jg4 s VAL 92 Ca 0.03 0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.46 2jg4 s VAL 92 Cb -0.13 -3.59 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 2jg4 s VAL 92 CO -0.09 0.44 2.85 1.57 0.00 0.00 0.00 175.10 179.87 2jg4 n HIS 93 N 3.23 0.05 -4.20 5.22 -0.00 0.10 -0.95 115.22 118.68 2jg4 n HIS 93 Ca -0.14 -1.29 -0.16 0.00 0.46 0.00 0.00 57.72 56.59 2jg4 n HIS 93 Cb 0.52 -1.09 -0.14 0.00 -0.12 0.00 0.00 29.99 29.16 2jg4 n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2jg4 s ILE 94 N 0.44 0.49 0.00 3.57 -1.09 -0.97 -4.73 121.20 118.91 2jg4 s ILE 94 Ca 0.36 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 2jg4 s ILE 94 Cb 0.17 -0.43 0.00 0.00 -1.58 0.00 0.00 42.46 40.62 2jg4 s ILE 94 CO -0.00 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 2jg4 n GLY 95 N 2.80 4.01 0.42 6.18 0.00 -1.23 -1.73 105.19 115.64 2jg4 n GLY 95 Ca -0.14 -0.89 0.24 0.00 0.00 0.00 0.00 46.02 45.23 2jg4 n GLY 95 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jg4 h SER 96 N 0.00 0.40 0.07 1.61 0.02 -0.76 -0.41 113.55 114.48 2jg4 h SER 96 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jg4 h SER 96 Cb 0.00 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jg4 h SER 96 CO 0.00 0.08 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.70 2jg4 h LEU 97 N 0.35 0.00 -1.94 5.07 4.07 -1.08 0.26 115.31 122.05 2jg4 h LEU 97 Ca 0.58 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.54 2jg4 h LEU 97 Cb 1.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.28 2jg4 h LEU 97 CO -0.26 0.01 0.00 -1.20 -1.08 0.00 0.00 178.44 175.91 2jg4 n SER 98 N -3.33 2.86 -4.75 -0.43 7.64 -0.16 -4.87 113.62 110.57 2jg4 n SER 98 Ca -0.03 -1.94 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 2jg4 n SER 98 Cb 0.10 -0.29 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 2jg4 n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2jg4 s ASP 99 N -1.25 6.45 0.36 6.43 -0.00 0.08 -4.94 116.67 123.79 2jg4 s ASP 99 Ca 0.37 2.88 -0.27 0.00 -0.00 0.00 0.00 52.55 55.53 2jg4 s ASP 99 Cb 0.20 -2.63 -0.12 0.00 -0.00 0.00 0.00 42.92 40.37 2jg4 s ASP 99 CO 0.27 -0.85 1.24 -0.81 -0.00 0.00 0.00 175.17 175.02 2jg4 n PRO 100 N 2.07 1.95 0.28 8.23 -0.04 -1.26 -4.85 135.00 141.37 2jg4 n PRO 100 Ca 0.07 0.69 0.14 0.00 -0.04 0.00 0.00 63.50 64.35 2jg4 n PRO 100 Cb 0.38 -2.27 0.80 0.00 -0.04 0.00 0.00 33.50 32.37 2jg4 n PRO 100 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2jg4 h PRO 101 N 2.31 0.00 -0.01 0.54 0.13 -1.98 -2.14 132.00 130.85 2jg4 h PRO 101 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jg4 h PRO 101 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jg4 h PRO 101 CO 0.61 0.08 -0.24 0.27 -0.23 0.00 0.00 178.00 178.49 2jg4 n ASN 102 N -3.69 0.86 -3.27 1.44 2.04 -1.26 -4.48 115.26 106.90 2jg4 n ASN 102 Ca -0.02 -0.76 -0.25 0.00 -0.44 0.00 0.00 54.58 53.11 2jg4 n ASN 102 Cb 0.18 0.09 -0.08 0.00 -2.53 0.00 0.00 39.78 37.45 2jg4 n ASN 102 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 2jg4 n ILE 103 N -0.79 -0.19 -1.69 1.53 5.41 -0.80 -4.88 119.36 117.95 2jg4 n ILE 103 Ca 0.12 -4.16 -0.45 0.00 1.00 0.00 0.00 62.75 59.26 2jg4 n ILE 103 Cb 0.33 -1.95 -0.04 0.00 -0.71 0.00 0.00 39.64 37.27 2jg4 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jg4 n ALA 104 N 1.51 1.84 -0.21 -1.39 0.00 -1.25 -2.48 120.51 118.52 2jg4 n ALA 104 Ca 0.24 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2jg4 n ALA 104 Cb 0.50 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2jg4 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jg4 n GLY 105 N 3.82 0.81 0.30 0.00 0.00 -1.20 -4.35 105.19 104.57 2jg4 n GLY 105 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 2jg4 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jg4 h LEU 106 N 0.00 0.77 -0.41 0.99 5.85 -1.78 0.19 115.31 120.92 2jg4 h LEU 106 Ca 0.00 -0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.40 2jg4 h LEU 106 Cb 0.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2jg4 h LEU 106 CO 0.00 0.78 -0.51 0.77 -0.34 0.00 0.00 178.44 179.15 2jg4 h SER 107 N 0.78 0.85 -0.71 1.25 4.64 -1.90 0.20 113.55 118.66 2jg4 h SER 107 Ca 0.17 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2jg4 h SER 107 Cb 0.34 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2jg4 h SER 107 CO 0.01 1.20 0.37 -0.74 -0.87 0.00 0.00 176.83 176.79 2jg4 h HIS 108 N 0.60 1.01 -0.73 4.77 -0.00 -1.74 -1.46 115.15 117.59 2jg4 h HIS 108 Ca 0.02 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 2jg4 h HIS 108 Cb 1.09 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 28.15 2jg4 h HIS 108 CO 0.06 0.73 0.31 0.35 -0.00 0.00 0.00 177.93 179.38 2jg4 h PHE 109 N 0.99 1.09 -0.62 5.26 3.57 -0.33 -2.46 116.94 124.44 2jg4 h PHE 109 Ca 0.25 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2jg4 h PHE 109 Cb 0.08 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 2jg4 h PHE 109 CO 0.00 0.83 0.37 0.00 -2.23 0.00 0.00 178.31 177.28 2jg4 h GLU 111 N 0.71 -0.26 -0.62 0.00 4.81 -0.85 -0.42 114.58 117.95 2jg4 h GLU 111 Ca 0.26 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 2jg4 h GLU 111 Cb 0.07 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 2jg4 h GLU 111 CO -0.13 -0.17 0.29 0.45 -0.73 0.00 0.00 179.01 178.72 2jg4 h HIS 112 N -0.27 0.51 -0.27 0.92 3.86 -1.08 -3.02 115.15 115.80 2jg4 h HIS 112 Ca 0.08 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 2jg4 h HIS 112 Cb 0.39 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2jg4 h HIS 112 CO -0.28 0.19 -0.20 0.52 0.86 0.00 0.00 177.93 179.02 2jg4 h MET 113 N 0.52 0.50 -0.19 2.45 2.86 -0.24 -3.05 114.93 117.78 2jg4 h MET 113 Ca 0.30 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2jg4 h MET 113 Cb 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2jg4 h MET 113 CO -0.25 0.68 0.19 -0.07 1.06 0.00 0.00 176.91 178.52 2jg4 h LEU 114 N 0.45 0.00 0.00 1.22 3.38 -0.96 -0.93 115.31 118.46 2jg4 h LEU 114 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jg4 h LEU 114 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2jg4 h LEU 114 CO 0.04 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.06 2jg4 n PHE 115 N -3.90 0.00 -0.98 1.13 3.01 -1.15 -4.20 117.46 111.37 2jg4 n PHE 115 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 2jg4 n PHE 115 Cb 0.32 -0.42 0.33 0.00 -0.01 0.00 0.00 39.48 39.70 2jg4 n PHE 115 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2jg4 n LEU 116 N -1.42 4.95 0.00 4.37 4.77 -0.35 -4.69 117.00 124.63 2jg4 n LEU 116 Ca 0.09 -3.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.04 2jg4 n LEU 116 Cb 0.28 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2jg4 n LEU 116 CO 0.23 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2jg4 n GLY 117 N 0.01 4.06 3.56 -0.72 0.00 -1.26 -4.08 105.19 106.77 2jg4 n GLY 117 Ca 0.26 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.88 2jg4 n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jg4 s THR 118 N -0.20 2.06 0.23 2.61 -4.23 -0.60 -0.42 115.64 115.09 2jg4 s THR 118 Ca 0.00 -2.11 -0.07 0.00 -1.18 0.00 0.00 61.69 58.33 2jg4 s THR 118 Cb 0.00 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2jg4 s THR 118 CO 0.00 -0.12 1.71 0.50 -0.54 0.00 0.00 174.62 176.16 2jg4 h LYS 119 N 1.95 0.30 -0.05 3.99 3.64 -1.23 -0.52 116.57 124.66 2jg4 h LYS 119 Ca -0.43 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.77 2jg4 h LYS 119 Cb 1.24 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2jg4 h LYS 119 CO 0.74 0.20 -0.71 -0.22 -2.27 0.00 0.00 179.45 177.19 2jg4 h LYS 120 N 0.31 0.24 -2.48 1.90 3.64 -1.96 -3.36 116.57 114.86 2jg4 h LYS 120 Ca 0.37 -0.20 -0.59 0.00 -1.27 0.00 0.00 60.65 58.96 2jg4 h LYS 120 Cb 0.58 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 32.05 2jg4 h LYS 120 CO -0.44 0.86 -0.84 0.66 -2.27 0.00 0.00 179.45 177.42 2jg4 n TYR 121 N -3.80 0.83 0.23 1.91 4.02 -0.76 -5.00 117.16 114.59 2jg4 n TYR 121 Ca -0.03 -3.72 0.09 0.00 -0.01 0.00 0.00 57.90 54.23 2jg4 n TYR 121 Cb 0.69 -0.18 0.58 0.00 -0.02 0.00 0.00 39.34 40.41 2jg4 n TYR 121 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2jg4 h PRO 122 N 5.13 0.00 -6.40 -0.72 0.13 -1.29 -1.60 132.00 127.25 2jg4 h PRO 122 Ca 0.20 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.79 2jg4 h PRO 122 Cb 0.83 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.99 2jg4 h PRO 122 CO 0.53 0.20 1.19 1.17 -0.23 0.00 0.00 178.00 180.86 2jg4 n LYS 123 N -3.83 2.81 -0.37 0.86 4.81 -1.26 -4.53 118.16 116.65 2jg4 n LYS 123 Ca -0.02 1.03 0.29 0.00 -0.87 0.00 0.00 58.31 58.74 2jg4 n LYS 123 Cb 0.30 -2.96 0.57 0.00 0.02 0.00 0.00 35.03 32.96 2jg4 n LYS 123 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 2jg4 h GLU 124 N 9.83 0.25 -0.08 1.64 4.11 -1.86 -0.59 114.58 127.88 2jg4 h GLU 124 Ca -0.49 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jg4 h GLU 124 Cb 1.24 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2jg4 h GLU 124 CO 0.94 0.17 -0.01 0.27 0.07 0.00 0.00 179.01 180.45 2jg4 n ASN 125 N -4.64 2.81 -0.30 3.06 2.04 -1.26 -4.02 115.26 112.95 2jg4 n ASN 125 Ca 0.30 -3.08 0.00 0.00 -0.44 0.00 0.00 54.58 51.36 2jg4 n ASN 125 Cb 1.11 -0.47 0.13 0.00 -2.53 0.00 0.00 39.78 38.02 2jg4 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 2jg4 h GLU 126 N 0.57 0.91 0.72 -3.83 4.57 -1.42 0.11 114.58 116.22 2jg4 h GLU 126 Ca 0.00 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2jg4 h GLU 126 Cb 1.14 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2jg4 h GLU 126 CO 0.07 0.60 -0.35 -0.92 -1.18 0.00 0.00 179.01 177.23 2jg4 h TYR 127 N 0.94 -0.90 -0.52 0.92 5.03 -1.83 -0.64 116.97 119.96 2jg4 h TYR 127 Ca 0.36 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.62 2jg4 h TYR 127 Cb 0.17 0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 2jg4 h TYR 127 CO -0.04 -0.54 0.22 0.66 -1.32 0.00 0.00 178.16 177.15 2jg4 h SER 128 N -1.17 0.71 -0.70 -2.11 4.64 -1.84 -2.02 113.55 111.06 2jg4 h SER 128 Ca -0.10 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 2jg4 h SER 128 Cb 0.77 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 2jg4 h SER 128 CO 0.16 0.67 0.41 -0.61 -0.87 0.00 0.00 176.83 176.59 2jg4 h GLN 129 N 0.70 0.74 -0.48 4.77 4.15 -0.80 -0.66 115.11 123.52 2jg4 h GLN 129 Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2jg4 h GLN 129 Cb 0.17 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 2jg4 h GLN 129 CO -0.02 0.49 0.27 0.35 -1.93 0.00 0.00 178.83 178.00 2jg4 h PHE 130 N 0.76 0.64 -0.24 3.99 3.57 -0.64 -1.71 116.94 123.32 2jg4 h PHE 130 Ca 0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2jg4 h PHE 130 Cb 0.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2jg4 h PHE 130 CO -0.06 0.47 0.15 -0.07 -2.23 0.00 0.00 178.31 176.56 2jg4 h LEU 131 N 0.63 0.28 -0.66 0.59 3.38 -0.89 -2.82 115.31 115.82 2jg4 h LEU 131 Ca 0.17 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.20 2jg4 h LEU 131 Cb 0.03 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2jg4 h LEU 131 CO -0.03 0.22 0.31 -1.28 0.09 0.00 0.00 178.44 177.76 2jg4 h SER 132 N 0.31 0.39 0.38 -0.43 0.87 -0.91 0.33 113.55 114.49 2jg4 h SER 132 Ca 0.09 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2jg4 h SER 132 Cb -0.01 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2jg4 h SER 132 CO -0.02 0.23 0.00 -0.62 -0.53 0.00 0.00 176.83 175.90 2jg4 n GLU 133 N -4.90 0.39 -1.31 2.24 1.02 -0.66 -3.28 120.64 114.13 2jg4 n GLU 133 Ca 0.09 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 2jg4 n GLU 133 Cb 0.25 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.25 2jg4 n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jg4 n HIS 134 N -1.25 0.15 -1.65 -0.32 8.25 -0.04 -4.61 115.22 115.76 2jg4 n HIS 134 Ca 0.12 -0.95 -0.14 0.00 -0.26 0.00 0.00 57.72 56.49 2jg4 n HIS 134 Cb 0.17 -0.19 -0.04 0.00 1.12 0.00 0.00 29.99 31.05 2jg4 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jg4 n ALA 135 N -0.10 -0.27 -2.35 -1.41 0.00 -0.67 0.36 120.51 116.07 2jg4 n ALA 135 Ca 0.11 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 2jg4 n ALA 135 Cb 0.98 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2jg4 n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2jg4 s GLY 136 N -2.72 2.30 0.21 0.00 0.00 0.97 -4.32 107.32 103.76 2jg4 s GLY 136 Ca 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.05 2jg4 s GLY 136 CO 0.00 -1.87 0.38 -1.35 0.00 0.00 0.00 173.10 170.26 2jg4 s SER 137 N -4.19 -0.04 -0.13 1.64 1.04 -0.40 -4.09 113.70 107.53 2jg4 s SER 137 Ca 0.39 -0.91 -0.28 0.00 0.48 0.00 0.00 55.95 55.63 2jg4 s SER 137 Cb -0.02 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2jg4 s SER 137 CO 0.23 -1.02 0.67 -0.55 0.98 0.00 0.00 173.24 173.55 2jg4 s SER 138 N -3.00 -0.66 0.00 7.02 0.15 -1.26 -1.41 113.70 114.53 2jg4 s SER 138 Ca 0.21 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.80 2jg4 s SER 138 Cb 0.01 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2jg4 s SER 138 CO 0.05 -0.47 0.00 -3.20 1.20 0.00 0.00 173.24 170.83 2jg4 n ASN 139 N 1.59 0.00 -3.56 5.45 2.85 -0.65 -5.01 115.26 115.93 2jg4 n ASN 139 Ca -0.17 -0.99 -0.09 0.00 -0.11 0.00 0.00 54.58 53.21 2jg4 n ASN 139 Cb 0.56 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.54 2jg4 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jg4 s ALA 140 N -1.28 -1.91 0.09 5.20 0.00 -1.26 -1.32 121.76 121.28 2jg4 s ALA 140 Ca 0.00 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2jg4 s ALA 140 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2jg4 s ALA 140 CO 0.00 -0.44 -0.03 -0.59 0.00 0.00 0.00 175.76 174.70 2jg4 s PHE 141 N -1.78 0.78 -0.20 0.00 -0.71 -0.59 -5.00 117.98 110.48 2jg4 s PHE 141 Ca 0.01 -1.03 0.01 0.00 -1.04 0.00 0.00 56.93 54.88 2jg4 s PHE 141 Cb -0.01 -0.48 0.04 0.00 -1.21 0.00 0.00 43.02 41.36 2jg4 s PHE 141 CO -0.02 -0.29 -0.10 0.99 -1.34 0.00 0.00 175.22 174.45 2jg4 s THR 142 N -3.80 1.65 0.11 -4.49 2.01 -1.26 -1.71 115.64 108.15 2jg4 s THR 142 Ca 0.13 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.14 2jg4 s THR 142 Cb 0.07 -1.72 0.02 0.00 0.01 0.00 0.00 72.50 70.88 2jg4 s THR 142 CO -0.05 0.18 0.14 -1.54 -0.69 0.00 0.00 174.62 172.66 2jg4 n SER 143 N 4.68 0.48 -0.25 3.53 3.41 -0.05 -4.89 113.62 120.54 2jg4 n SER 143 Ca -0.15 -1.29 0.07 0.00 -0.26 0.00 0.00 58.87 57.24 2jg4 n SER 143 Cb 0.47 -0.07 0.32 0.00 -0.26 0.00 0.00 64.21 64.66 2jg4 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jg4 h GLY 144 N 0.03 1.15 -0.02 5.00 0.00 -1.93 -1.95 103.07 105.35 2jg4 h GLY 144 Ca -0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jg4 h GLY 144 CO 0.07 0.22 -0.01 1.18 0.00 0.00 0.00 176.54 178.01 2jg4 n GLU 145 N -4.50 1.89 -3.87 4.80 1.02 -1.26 -0.54 120.64 118.18 2jg4 n GLU 145 Ca 0.13 -1.18 -0.11 0.00 -0.02 0.00 0.00 57.16 55.98 2jg4 n GLU 145 Cb 0.28 -0.84 -0.11 0.00 -0.02 0.00 0.00 31.44 30.75 2jg4 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2jg4 s HIS 146 N -0.70 -0.00 -0.14 -0.32 3.76 -1.21 -2.30 115.29 114.38 2jg4 s HIS 146 Ca 0.01 0.00 -0.00 0.00 -0.15 0.00 0.00 55.06 54.92 2jg4 s HIS 146 Cb 0.01 -0.03 0.03 0.00 1.11 0.00 0.00 32.58 33.70 2jg4 s HIS 146 CO 0.00 -0.18 -0.08 0.99 -0.85 0.00 0.00 174.74 174.62 2jg4 s THR 147 N -0.80 1.19 -0.16 1.30 2.01 -0.12 -0.87 115.64 118.18 2jg4 s THR 147 Ca -0.09 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2jg4 s THR 147 Cb -0.05 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.24 2jg4 s THR 147 CO 0.01 0.30 -0.20 0.21 -0.69 0.00 0.00 174.62 174.25 2jg4 s ASN 148 N 1.63 3.18 -0.06 3.53 3.84 -0.69 -0.40 114.94 125.96 2jg4 s ASN 148 Ca 0.03 -0.62 0.05 0.00 0.21 0.00 0.00 52.86 52.54 2jg4 s ASN 148 Cb -0.14 -1.48 -0.01 0.00 -0.55 0.00 0.00 41.25 39.08 2jg4 s ASN 148 CO -0.09 0.03 -0.23 -0.31 -2.79 0.00 0.00 177.10 173.72 2jg4 s TYR 149 N 1.09 2.31 0.02 0.43 1.51 0.03 -1.55 117.35 121.19 2jg4 s TYR 149 Ca 0.00 -0.74 -0.19 0.00 -1.01 0.00 0.00 57.07 55.13 2jg4 s TYR 149 Cb -0.14 -1.53 0.04 0.00 -0.11 0.00 0.00 41.96 40.22 2jg4 s TYR 149 CO -0.08 -0.25 0.43 1.52 -1.11 0.00 0.00 175.55 176.06 2jg4 s TYR 150 N -0.00 -0.30 0.10 2.71 -0.85 -0.43 -0.99 117.35 117.59 2jg4 s TYR 150 Ca -0.07 0.35 -0.09 0.00 -0.52 0.00 0.00 57.07 56.73 2jg4 s TYR 150 Cb -0.14 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.42 2jg4 s TYR 150 CO 0.04 -0.54 0.22 -0.59 -1.52 0.00 0.00 175.55 173.16 2jg4 s PHE 151 N -2.09 0.15 0.25 -3.49 -0.12 -0.75 -1.64 117.98 110.28 2jg4 s PHE 151 Ca -0.08 -0.56 0.05 0.00 -0.05 0.00 0.00 56.93 56.30 2jg4 s PHE 151 Cb -0.02 -0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 2jg4 s PHE 151 CO 0.00 -0.58 -0.05 0.16 -0.05 0.00 0.00 175.22 174.70 2jg4 s ASP 152 N -2.87 2.33 0.08 1.98 3.84 -0.50 -2.34 116.67 119.19 2jg4 s ASP 152 Ca 0.06 -1.17 -0.26 0.00 -0.00 0.00 0.00 52.55 51.18 2jg4 s ASP 152 Cb 0.04 -0.09 0.07 0.00 -1.38 0.00 0.00 42.92 41.57 2jg4 s ASP 152 CO -0.10 -0.39 0.66 0.54 -0.00 0.00 0.00 175.17 175.88 2jg4 s VAL 153 N -3.18 0.00 0.25 2.11 0.11 -0.68 -1.27 120.40 117.73 2jg4 s VAL 153 Ca 0.28 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 2jg4 s VAL 153 Cb 0.04 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.74 2jg4 s VAL 153 CO 0.09 0.00 0.96 -0.24 -3.33 0.00 0.00 175.10 172.59 2jg4 n SER 154 N 0.02 0.89 0.30 3.54 2.88 0.16 -0.27 113.62 121.12 2jg4 n SER 154 Ca -0.17 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.69 2jg4 n SER 154 Cb 0.62 -1.22 0.90 0.00 -0.75 0.00 0.00 64.21 63.77 2jg4 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2jg4 h HIS 155 N 2.13 0.00 0.00 0.66 2.07 -1.65 -0.12 115.15 118.24 2jg4 h HIS 155 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 2jg4 h HIS 155 Cb 1.36 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.34 2jg4 h HIS 155 CO 0.48 0.01 0.00 0.39 -3.07 0.00 0.00 177.93 175.74 2jg4 n GLU 156 N -3.84 0.02 -1.35 5.12 1.02 -1.26 -3.75 120.64 116.61 2jg4 n GLU 156 Ca -0.03 0.21 -0.01 0.00 -0.02 0.00 0.00 57.16 57.31 2jg4 n GLU 156 Cb 0.09 -1.53 0.11 0.00 -0.02 0.00 0.00 31.44 30.09 2jg4 n GLU 156 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jg4 n HIS 157 N -1.57 0.71 0.17 -0.32 8.25 -0.06 -4.80 115.22 117.61 2jg4 n HIS 157 Ca 0.04 -1.49 -0.14 0.00 -0.26 0.00 0.00 57.72 55.87 2jg4 n HIS 157 Cb 0.22 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 2jg4 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jg4 h LEU 158 N 1.42 -0.33 -0.18 2.41 6.46 -1.68 -2.45 115.31 120.97 2jg4 h LEU 158 Ca 0.01 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 2jg4 h LEU 158 Cb 1.35 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 2jg4 h LEU 158 CO 0.20 -0.16 0.02 -0.08 -0.62 0.00 0.00 178.44 177.80 2jg4 h GLU 159 N -0.47 0.09 -0.28 1.25 4.81 -1.91 0.54 114.58 118.61 2jg4 h GLU 159 Ca -0.04 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2jg4 h GLU 159 Cb 0.35 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 2jg4 h GLU 159 CO 0.06 0.06 -0.08 0.78 -0.73 0.00 0.00 179.01 179.10 2jg4 h GLY 160 N 0.09 0.18 0.96 1.92 0.00 -1.92 0.12 103.07 104.43 2jg4 h GLY 160 Ca 0.08 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2jg4 h GLY 160 CO -0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 176.54 176.18 2jg4 h ALA 161 N 1.25 -0.35 -0.67 3.60 0.00 -0.88 -2.81 119.26 119.39 2jg4 h ALA 161 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jg4 h ALA 161 Cb 0.23 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2jg4 h ALA 161 CO -0.30 -0.67 0.31 1.25 0.00 0.00 0.00 179.25 179.84 2jg4 h LEU 162 N -0.40 0.87 0.12 0.00 5.85 0.33 0.18 115.31 122.27 2jg4 h LEU 162 Ca -0.04 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2jg4 h LEU 162 Cb 0.31 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2jg4 h LEU 162 CO 0.06 0.74 -0.06 -0.78 -0.34 0.00 0.00 178.44 178.06 2jg4 h ASP 163 N 0.95 -0.14 -0.55 1.25 -0.00 -0.75 0.23 116.42 117.42 2jg4 h ASP 163 Ca 0.23 -0.01 0.03 0.00 -0.00 0.00 0.00 57.03 57.28 2jg4 h ASP 163 Cb 0.11 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.44 2jg4 h ASP 163 CO -0.03 -0.09 0.32 0.03 -0.00 0.00 0.00 179.24 179.48 2jg4 h ARG 164 N -0.18 0.62 -0.61 0.28 3.08 -1.18 -2.48 114.38 113.91 2jg4 h ARG 164 Ca -0.02 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.05 2jg4 h ARG 164 Cb 0.14 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2jg4 h ARG 164 CO 0.03 0.41 0.32 0.35 -1.07 0.00 0.00 179.97 180.01 2jg4 h PHE 165 N 0.64 0.59 0.00 3.04 3.04 -0.70 -2.60 116.94 120.94 2jg4 h PHE 165 Ca 0.22 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 2jg4 h PHE 165 Cb 0.04 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.37 2jg4 h PHE 165 CO -0.07 0.28 -0.06 0.00 -2.02 0.00 0.00 178.31 176.44 2jg4 h ALA 166 N 1.33 1.71 0.00 2.41 0.00 -0.06 -2.31 119.26 122.34 2jg4 h ALA 166 Ca 0.27 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jg4 h ALA 166 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jg4 h ALA 166 CO -0.18 0.07 -0.21 1.96 0.00 0.00 0.00 179.25 180.88 2jg4 h GLN 167 N 0.00 0.00 -1.26 0.00 1.08 -1.40 -0.85 115.11 112.69 2jg4 h GLN 167 Ca -0.00 0.00 0.36 0.00 -1.45 0.00 0.00 58.65 57.56 2jg4 h GLN 167 Cb 0.11 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.47 2jg4 h GLN 167 CO 0.01 0.21 0.87 0.74 -0.95 0.00 0.00 178.83 179.72 2jg4 h PHE 168 N 0.00 0.21 -0.29 2.96 -1.00 -1.52 -1.66 116.94 115.64 2jg4 h PHE 168 Ca -0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2jg4 h PHE 168 Cb 0.72 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.22 2jg4 h PHE 168 CO 0.00 -0.01 0.00 1.19 -1.61 0.00 0.00 178.31 177.88 2jg4 n PHE 169 N -4.32 0.81 0.00 -0.55 3.72 -0.32 -4.37 117.46 112.43 2jg4 n PHE 169 Ca 0.29 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 2jg4 n PHE 169 Cb 1.27 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 2jg4 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2jg4 n LEU 170 N -0.18 0.12 -2.87 4.37 4.77 -0.70 -4.84 117.00 117.67 2jg4 n LEU 170 Ca 0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2jg4 n LEU 170 Cb 0.75 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.89 2jg4 n LEU 170 CO 0.13 -0.26 0.14 0.00 -1.33 0.00 0.00 177.39 176.08 2jg4 s PRO 172 N -0.82 3.22 0.13 0.00 0.04 -1.24 -0.75 135.00 135.58 2jg4 s PRO 172 Ca 0.28 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.29 2jg4 s PRO 172 Cb 0.33 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.59 2jg4 s PRO 172 CO -0.06 -1.03 1.30 -0.07 0.04 0.00 0.00 177.00 177.18 2jg4 h LEU 173 N 1.35 0.14 -2.52 -3.56 3.38 -1.03 -3.43 115.31 109.63 2jg4 h LEU 173 Ca -0.50 -0.14 -0.61 0.00 0.09 0.00 0.00 57.88 56.72 2jg4 h LEU 173 Cb 1.29 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.83 2jg4 h LEU 173 CO 0.57 1.05 -0.98 0.49 0.09 0.00 0.00 178.44 179.66 2jg4 n PHE 174 N -3.49 -1.30 -1.62 1.13 3.01 -1.26 -4.80 117.46 109.13 2jg4 n PHE 174 Ca -0.03 0.49 -0.46 0.00 1.01 0.00 0.00 57.45 58.46 2jg4 n PHE 174 Cb 0.90 -2.83 -0.03 0.00 -0.01 0.00 0.00 39.48 37.52 2jg4 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2jg4 n ASP 175 N -2.72 1.90 -0.20 4.37 2.03 -1.26 -4.79 116.55 115.88 2jg4 n ASP 175 Ca -0.28 1.15 -0.01 0.00 0.52 0.00 0.00 54.79 56.17 2jg4 n ASP 175 Cb 0.67 -1.32 0.10 0.00 -0.72 0.00 0.00 41.12 39.84 2jg4 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2jg4 h GLU 176 N 3.30 0.49 -0.13 -0.67 4.57 -2.00 -0.17 114.58 119.96 2jg4 h GLU 176 Ca -0.43 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.52 2jg4 h GLU 176 Cb 1.32 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2jg4 h GLU 176 CO 0.69 0.32 -0.73 1.03 -1.18 0.00 0.00 179.01 179.14 2jg4 h SER 177 N 0.50 0.73 -0.79 1.04 0.87 -2.00 -2.78 113.55 111.12 2jg4 h SER 177 Ca 0.29 -0.47 0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2jg4 h SER 177 Cb 0.28 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2jg4 h SER 177 CO -0.24 1.24 0.52 0.00 -0.53 0.00 0.00 176.83 177.81 2jg4 h LYS 179 N 1.08 -0.20 -0.96 0.00 3.64 -0.94 0.31 116.57 119.50 2jg4 h LYS 179 Ca 0.29 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.79 2jg4 h LYS 179 Cb -0.11 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 2jg4 h LYS 179 CO -0.06 -0.13 0.61 -0.44 -2.27 0.00 0.00 179.45 177.16 2jg4 h ASP 180 N -0.20 0.88 0.09 4.20 3.32 -1.42 -2.53 116.42 120.76 2jg4 h ASP 180 Ca 0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jg4 h ASP 180 Cb 0.21 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2jg4 h ASP 180 CO -0.04 0.50 -0.05 0.03 -1.72 0.00 0.00 179.24 177.96 2jg4 h ARG 181 N 0.96 -0.12 -0.32 3.56 3.08 -1.16 -3.36 114.38 117.02 2jg4 h ARG 181 Ca 0.46 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.61 2jg4 h ARG 181 Cb 0.44 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2jg4 h ARG 181 CO -0.22 0.15 0.36 1.49 -1.07 0.00 0.00 179.97 180.68 2jg4 h GLU 182 N -1.00 0.00 -0.49 0.04 4.57 -0.32 -1.18 114.58 116.20 2jg4 h GLU 182 Ca -0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 2jg4 h GLU 182 Cb 0.33 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.90 2jg4 h GLU 182 CO 0.02 0.00 0.34 -0.24 -1.18 0.00 0.00 179.01 177.95 2jg4 h VAL 183 N 0.00 0.84 -0.32 0.32 3.04 -1.60 -1.77 116.25 116.76 2jg4 h VAL 183 Ca 0.15 -0.07 -0.15 0.00 -1.01 0.00 0.00 66.70 65.62 2jg4 h VAL 183 Cb 0.87 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 2jg4 h VAL 183 CO -0.00 0.04 -0.41 0.78 -1.01 0.00 0.00 177.57 176.96 2jg4 h ASN 184 N 0.19 0.85 -0.50 3.17 4.21 -1.43 -1.24 115.58 120.84 2jg4 h ASN 184 Ca 0.23 -0.39 0.03 0.00 1.21 0.00 0.00 56.30 57.38 2jg4 h ASN 184 Cb 0.66 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 37.59 2jg4 h ASN 184 CO -0.04 1.15 0.29 0.00 -1.29 0.00 0.00 177.43 177.53 2jg4 h ALA 185 N 0.89 0.64 -0.32 -0.83 0.00 -1.47 0.22 119.26 118.39 2jg4 h ALA 185 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jg4 h ALA 185 Cb 0.97 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2jg4 h ALA 185 CO 0.09 -0.03 0.06 0.28 0.00 0.00 0.00 179.25 179.65 2jg4 h VAL 186 N 0.57 1.23 -0.99 0.00 2.07 -1.41 0.15 116.25 117.85 2jg4 h VAL 186 Ca 0.20 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 67.05 2jg4 h VAL 186 Cb 0.05 1.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2jg4 h VAL 186 CO -0.11 0.26 0.63 -0.78 0.02 0.00 0.00 177.57 177.59 2jg4 h ASP 187 N 0.35 0.92 -0.37 0.57 3.58 -0.90 -0.81 116.42 119.76 2jg4 h ASP 187 Ca 0.10 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 2jg4 h ASP 187 Cb 0.33 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2jg4 h ASP 187 CO 0.00 0.50 -0.10 -1.28 -2.88 0.00 0.00 179.24 175.49 2jg4 h SER 188 N 1.00 0.72 -0.39 2.28 0.87 -0.08 -0.73 113.55 117.22 2jg4 h SER 188 Ca 0.48 -0.37 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 2jg4 h SER 188 Cb 0.46 -0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 2jg4 h SER 188 CO -0.25 0.93 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.73 2jg4 h GLU 189 N 0.51 -0.10 -0.43 2.24 4.81 0.04 -2.25 114.58 119.40 2jg4 h GLU 189 Ca 0.09 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2jg4 h GLU 189 Cb 0.61 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2jg4 h GLU 189 CO 0.04 -0.06 -0.24 1.25 -0.73 0.00 0.00 179.01 179.26 2jg4 h HIS 190 N -0.10 1.03 -0.42 0.92 2.76 -1.03 -3.09 115.15 115.22 2jg4 h HIS 190 Ca 0.19 -0.25 0.09 0.00 -2.20 0.00 0.00 60.37 58.20 2jg4 h HIS 190 Cb 0.39 -0.24 -0.09 0.00 1.55 0.00 0.00 27.41 29.03 2jg4 h HIS 190 CO -0.41 1.04 -0.15 1.49 -1.30 0.00 0.00 177.93 178.60 2jg4 h GLU 191 N 0.77 -0.06 -0.10 5.26 4.57 -0.56 -1.46 114.58 123.00 2jg4 h GLU 191 Ca 0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2jg4 h GLU 191 Cb 0.80 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2jg4 h GLU 191 CO 0.07 -0.04 -0.08 1.57 -1.18 0.00 0.00 179.01 179.35 2jg4 h LYS 192 N -0.06 0.15 0.00 1.92 2.10 -1.38 -2.14 116.57 117.17 2jg4 h LYS 192 Ca 0.20 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.81 2jg4 h LYS 192 Cb 0.37 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2jg4 h LYS 192 CO -0.46 0.24 -0.10 -0.91 -2.00 0.00 0.00 179.45 176.22 2jg4 h ASN 193 N 0.15 0.00 -0.56 7.07 2.35 -1.26 -3.37 115.58 119.96 2jg4 h ASN 193 Ca 0.03 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2jg4 h ASN 193 Cb 0.24 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.54 2jg4 h ASN 193 CO 0.01 0.10 0.19 0.58 -1.65 0.00 0.00 177.43 176.66 2jg4 h VAL 194 N 0.00 0.78 -0.55 2.81 2.07 -0.63 -2.03 116.25 118.69 2jg4 h VAL 194 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2jg4 h VAL 194 Cb 0.83 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2jg4 h VAL 194 CO 0.01 0.07 0.00 0.23 0.02 0.00 0.00 177.57 177.90 2jg4 n MET 195 N -5.02 4.15 -3.63 1.57 2.81 -1.26 -4.80 117.12 110.93 2jg4 n MET 195 Ca 0.07 -2.78 -0.37 0.00 -1.81 0.00 0.00 57.70 52.81 2jg4 n MET 195 Cb 0.25 -2.06 -0.10 0.00 -0.71 0.00 0.00 33.22 30.59 2jg4 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2jg4 s ASN 196 N -0.76 6.04 0.30 7.83 2.47 -0.76 -4.89 114.94 125.17 2jg4 s ASN 196 Ca 0.49 0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.80 2jg4 s ASN 196 Cb 0.35 -2.11 0.47 0.00 -1.45 0.00 0.00 41.25 38.51 2jg4 s ASN 196 CO 0.18 0.01 1.94 0.44 -3.72 0.00 0.00 177.10 175.95 2jg4 h ASP 197 N 7.91 0.87 0.11 -4.21 5.19 -1.89 -1.51 116.42 122.90 2jg4 h ASP 197 Ca -0.37 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2jg4 h ASP 197 Cb 1.18 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.47 2jg4 h ASP 197 CO 0.61 0.68 -0.08 0.00 -3.12 0.00 0.00 179.24 177.33 2jg4 h ALA 198 N 1.47 -0.17 -0.44 3.45 0.00 -1.94 -1.50 119.26 120.13 2jg4 h ALA 198 Ca 0.26 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jg4 h ALA 198 Cb -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jg4 h ALA 198 CO -0.05 -0.60 0.06 -1.49 0.00 0.00 0.00 179.25 177.17 2jg4 h TRP 199 N -0.19 0.70 -0.28 0.00 4.06 -1.72 0.66 115.95 119.18 2jg4 h TRP 199 Ca -0.01 -0.07 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 2jg4 h TRP 199 Cb 0.16 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 2jg4 h TRP 199 CO -0.09 0.63 -0.04 0.00 -3.56 0.00 0.00 178.44 175.38 2jg4 h ARG 200 N 0.65 0.52 -0.52 0.49 3.08 -1.17 -1.62 114.38 115.81 2jg4 h ARG 200 Ca 0.14 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2jg4 h ARG 200 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2jg4 h ARG 200 CO 0.01 0.71 0.16 -0.07 -1.07 0.00 0.00 179.97 179.71 2jg4 h LEU 201 N 0.29 0.76 -0.39 3.04 4.07 -0.93 0.15 115.31 122.31 2jg4 h LEU 201 Ca 0.07 -0.21 0.07 0.00 0.08 0.00 0.00 57.88 57.90 2jg4 h LEU 201 Cb 0.51 -0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.96 2jg4 h LEU 201 CO 0.02 0.77 -0.39 0.15 -1.08 0.00 0.00 178.44 177.91 2jg4 h PHE 202 N 0.72 -1.13 -0.02 1.13 3.04 -0.72 -1.41 116.94 118.55 2jg4 h PHE 202 Ca 0.17 0.06 -0.17 0.00 3.98 0.00 0.00 57.97 62.01 2jg4 h PHE 202 Cb 0.28 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 2jg4 h PHE 202 CO 0.02 -0.42 -0.75 0.37 -2.02 0.00 0.00 178.31 175.51 2jg4 h GLN 203 N -0.31 0.18 -0.69 1.11 5.75 -1.04 -3.16 115.11 116.94 2jg4 h GLN 203 Ca 0.15 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 2jg4 h GLN 203 Cb 0.57 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 2jg4 h GLN 203 CO -0.55 0.84 0.26 1.25 -2.65 0.00 0.00 178.83 177.98 2jg4 h LEU 204 N 0.11 0.96 0.01 -2.39 5.85 -0.40 -0.24 115.31 119.21 2jg4 h LEU 204 Ca -0.02 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2jg4 h LEU 204 Cb 1.32 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2jg4 h LEU 204 CO 0.11 0.88 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.85 2jg4 h GLU 205 N 0.98 -0.26 -0.65 1.25 4.81 -1.24 -1.90 114.58 117.58 2jg4 h GLU 205 Ca 0.23 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.57 2jg4 h GLU 205 Cb 0.23 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 2jg4 h GLU 205 CO -0.02 -0.17 0.43 0.87 -0.73 0.00 0.00 179.01 179.39 2jg4 h LYS 206 N -0.27 0.48 0.00 1.92 1.57 -1.43 -1.66 116.57 117.18 2jg4 h LYS 206 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2jg4 h LYS 206 Cb 0.33 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 2jg4 h LYS 206 CO -0.15 0.32 -0.09 0.00 -0.57 0.00 0.00 179.45 178.96 2jg4 h ALA 207 N 1.67 1.03 -0.13 3.86 0.00 -0.26 -3.26 119.26 122.16 2jg4 h ALA 207 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jg4 h ALA 207 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jg4 h ALA 207 CO -0.09 0.12 0.00 0.25 0.00 0.00 0.00 179.25 179.52 2jg4 n THR 208 N -3.24 0.24 -1.50 0.00 -2.24 -0.63 -4.86 114.28 102.04 2jg4 n THR 208 Ca 0.00 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2jg4 n THR 208 Cb 0.35 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2jg4 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jg4 n GLY 209 N 0.90 0.50 3.64 3.38 0.00 -1.17 -4.92 105.19 107.53 2jg4 n GLY 209 Ca 0.11 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2jg4 n GLY 209 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jg4 s ASN 210 N -1.00 6.19 0.59 1.61 2.47 0.85 -4.86 114.94 120.79 2jg4 s ASN 210 Ca 0.00 2.21 0.30 0.00 0.42 0.00 0.00 52.86 55.80 2jg4 s ASN 210 Cb 0.00 -2.53 1.86 0.00 -1.45 0.00 0.00 41.25 39.13 2jg4 s ASN 210 CO 0.00 -1.33 2.26 -0.65 -3.72 0.00 0.00 177.10 173.67 2jg4 h PRO 211 N 11.73 0.00 0.00 0.43 0.11 -1.90 -1.03 132.00 141.34 2jg4 h PRO 211 Ca -0.43 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2jg4 h PRO 211 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jg4 h PRO 211 CO 0.96 0.00 -0.45 0.87 -0.21 0.00 0.00 178.00 179.17 2jg4 h LYS 212 N 0.00 0.00 -6.77 1.05 1.57 -1.99 -3.45 116.57 106.98 2jg4 h LYS 212 Ca -0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2jg4 h LYS 212 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 2jg4 h LYS 212 CO 0.00 0.45 0.57 -1.58 -0.57 0.00 0.00 179.45 178.32 2jg4 s HIS 213 N -3.80 3.34 0.61 -1.35 2.46 -0.39 -4.91 115.29 111.26 2jg4 s HIS 213 Ca -0.01 1.47 0.29 0.00 0.47 0.00 0.00 55.06 57.27 2jg4 s HIS 213 Cb 0.13 -3.48 1.50 0.00 -0.13 0.00 0.00 32.58 30.59 2jg4 s HIS 213 CO 0.72 -1.30 1.90 -1.35 -2.47 0.00 0.00 174.74 172.23 2jg4 h PRO 214 N 4.34 0.00 -0.37 2.88 0.11 -1.88 -0.61 132.00 136.47 2jg4 h PRO 214 Ca -0.46 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 2jg4 h PRO 214 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jg4 h PRO 214 CO 0.70 0.00 0.36 0.35 -0.21 0.00 0.00 178.00 179.20 2jg4 h PHE 215 N 0.00 0.00 -0.00 0.65 3.04 -1.91 -2.10 116.94 116.62 2jg4 h PHE 215 Ca 0.15 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2jg4 h PHE 215 Cb 1.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.54 2jg4 h PHE 215 CO 0.00 0.00 -0.07 -1.13 -2.02 0.00 0.00 178.31 175.09 2jg4 n SER 216 N -3.89 0.52 -4.66 0.41 3.41 -0.24 -4.74 113.62 104.43 2jg4 n SER 216 Ca 0.06 -0.78 -0.31 0.00 -0.26 0.00 0.00 58.87 57.59 2jg4 n SER 216 Cb 0.53 -0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.59 2jg4 n SER 216 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2jg4 s LYS 217 N -2.32 0.90 -0.35 4.33 1.02 -0.79 -4.73 119.74 117.80 2jg4 s LYS 217 Ca 0.34 1.35 -0.09 0.00 0.02 0.00 0.00 55.97 57.59 2jg4 s LYS 217 Cb 0.21 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.82 2jg4 s LYS 217 CO 0.43 -2.65 0.16 0.12 -0.92 0.00 0.00 175.35 172.49 2jg4 s PHE 218 N -2.67 3.24 0.07 3.18 5.36 -1.26 -4.99 117.98 120.91 2jg4 s PHE 218 Ca 0.66 -1.14 -0.05 0.00 -0.96 0.00 0.00 56.93 55.44 2jg4 s PHE 218 Cb -0.22 -2.36 -0.29 0.00 -0.34 0.00 0.00 43.02 39.81 2jg4 s PHE 218 CO 0.59 -0.67 1.13 0.78 -1.46 0.00 0.00 175.22 175.58 2jg4 h GLY 219 N 8.33 0.32 0.91 13.12 0.00 -1.94 -3.18 103.07 120.63 2jg4 h GLY 219 Ca -0.25 -0.83 -0.07 0.00 0.00 0.00 0.00 47.33 46.19 2jg4 h GLY 219 CO 0.64 0.72 -0.06 -0.84 0.00 0.00 0.00 176.54 177.00 2jg4 h THR 220 N 0.08 1.27 -0.77 4.70 2.02 -1.93 -3.36 112.91 114.93 2jg4 h THR 220 Ca -0.14 -1.08 0.09 0.00 0.77 0.00 0.00 66.41 66.04 2jg4 h THR 220 Cb 1.98 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 69.68 2jg4 h THR 220 CO 0.21 0.35 -0.20 0.61 0.37 0.00 0.00 175.52 176.86 2jg4 n GLY 221 N -0.22 -2.05 1.77 2.16 0.00 -1.26 -4.71 105.19 100.89 2jg4 n GLY 221 Ca -0.02 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.54 2jg4 n GLY 221 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jg4 n ASN 222 N -2.82 -1.08 -0.35 1.61 0.23 -1.26 -4.67 115.26 106.91 2jg4 n ASN 222 Ca -0.01 -1.74 0.01 0.00 -0.53 0.00 0.00 54.58 52.32 2jg4 n ASN 222 Cb 0.15 1.79 0.16 0.00 -2.08 0.00 0.00 39.78 39.80 2jg4 n ASN 222 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2jg4 h LYS 223 N 0.00 1.11 0.10 -3.83 3.64 -1.89 0.08 116.57 115.78 2jg4 h LYS 223 Ca -0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2jg4 h LYS 223 Cb 0.58 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2jg4 h LYS 223 CO 0.20 0.73 -0.08 -0.92 -2.27 0.00 0.00 179.45 177.11 2jg4 h TYR 224 N 1.14 -0.21 0.00 1.91 3.20 -1.96 0.13 116.97 121.19 2jg4 h TYR 224 Ca 0.41 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.18 2jg4 h TYR 224 Cb 0.13 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2jg4 h TYR 224 CO -0.01 -0.13 -0.47 1.79 -1.64 0.00 0.00 178.16 177.70 2jg4 h THR 225 N -0.19 0.96 0.00 1.81 1.35 -1.79 0.18 112.91 115.22 2jg4 h THR 225 Ca -0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 2jg4 h THR 225 Cb 0.18 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 2jg4 h THR 225 CO -0.01 0.46 -1.77 0.18 -0.25 0.00 0.00 175.52 174.13 2jg4 n LEU 226 N -3.44 0.12 0.09 3.87 4.32 -0.02 -4.47 117.00 117.47 2jg4 n LEU 226 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 2jg4 n LEU 226 Cb 0.61 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.41 2jg4 n LEU 226 CO 0.39 0.03 0.00 1.21 -1.22 0.00 0.00 177.39 177.80 2jg4 n GLU 227 N -2.09 0.00 0.19 3.23 2.13 0.36 -4.80 120.64 119.67 2jg4 n GLU 227 Ca -0.03 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 2jg4 n GLU 227 Cb 0.49 -0.17 -0.07 0.00 0.27 0.00 0.00 31.44 31.96 2jg4 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 2jg4 h THR 228 N 0.00 0.00 -0.15 6.31 2.02 -1.23 -1.06 112.91 118.80 2jg4 h THR 228 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2jg4 h THR 228 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 2jg4 h THR 228 CO 0.00 0.00 -0.03 -0.09 0.37 0.00 0.00 175.52 175.77 2jg4 h ARG 229 N -0.69 0.02 -0.19 6.66 9.65 -0.89 -2.45 114.38 126.49 2jg4 h ARG 229 Ca -0.04 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.89 2jg4 h ARG 229 Cb 0.60 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2jg4 h ARG 229 CO -0.06 0.01 0.14 -1.35 2.80 0.00 0.00 179.97 181.51 2jg4 h PRO 230 N 0.02 0.00 0.46 0.20 0.11 -1.74 -2.53 132.00 128.51 2jg4 h PRO 230 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 2jg4 h PRO 230 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2jg4 h PRO 230 CO -0.14 0.00 -0.22 -0.91 -0.21 0.00 0.00 178.00 176.51 2jg4 h ASN 231 N 0.00 -0.53 0.00 -2.05 -0.26 -0.76 -0.87 115.58 111.12 2jg4 h ASN 231 Ca 0.09 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2jg4 h ASN 231 Cb 0.37 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 2jg4 h ASN 231 CO -0.00 -0.15 0.46 1.56 -1.06 0.00 0.00 177.43 178.24 2jg4 h GLN 232 N -0.98 0.00 0.00 0.81 4.20 -1.06 -0.45 115.11 117.63 2jg4 h GLN 232 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2jg4 h GLN 232 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2jg4 h GLN 232 CO 0.10 0.00 -0.03 0.39 -0.67 0.00 0.00 178.83 178.63 2jg4 n GLU 233 N -1.97 1.69 -1.09 1.46 1.02 -0.99 -4.99 120.64 115.78 2jg4 n GLU 233 Ca -0.01 -2.10 -0.03 0.00 -0.02 0.00 0.00 57.16 55.00 2jg4 n GLU 233 Cb 0.47 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 2jg4 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg4 n GLY 234 N -1.03 0.55 3.72 0.62 0.00 -0.18 -4.99 105.19 103.88 2jg4 n GLY 234 Ca 0.10 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2jg4 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg4 s ILE 235 N -1.83 4.91 -0.57 -0.61 1.01 -0.35 -5.02 121.20 118.74 2jg4 s ILE 235 Ca 0.00 1.79 -0.19 0.00 0.00 0.00 0.00 60.65 62.25 2jg4 s ILE 235 Cb 0.00 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.37 2jg4 s ILE 235 CO 0.00 0.22 0.67 -0.62 0.00 0.00 0.00 174.94 175.21 2jg4 s ASP 236 N 0.79 6.19 0.30 3.58 2.15 -1.26 -4.55 116.67 123.87 2jg4 s ASP 236 Ca 0.45 -1.34 -0.01 0.00 0.43 0.00 0.00 52.55 52.08 2jg4 s ASP 236 Cb -0.20 -2.29 0.46 0.00 -0.30 0.00 0.00 42.92 40.59 2jg4 s ASP 236 CO 0.24 -1.04 1.95 0.58 -0.17 0.00 0.00 175.17 176.72 2jg4 h VAL 237 N 5.91 1.21 -0.69 1.11 2.07 -1.93 -0.74 116.25 123.18 2jg4 h VAL 237 Ca -0.29 -0.46 0.13 0.00 0.82 0.00 0.00 66.70 66.90 2jg4 h VAL 237 Cb 1.09 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 2jg4 h VAL 237 CO 1.06 0.22 0.20 -0.09 0.02 0.00 0.00 177.57 178.98 2jg4 h ARG 238 N 1.01 0.32 -0.51 1.57 2.43 -1.92 0.37 114.38 117.65 2jg4 h ARG 238 Ca 0.26 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.30 2jg4 h ARG 238 Cb -0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2jg4 h ARG 238 CO -0.05 0.21 -0.14 1.96 -1.51 0.00 0.00 179.97 180.44 2jg4 h GLN 239 N 0.33 1.00 -0.61 0.20 1.08 -1.57 -1.53 115.11 114.01 2jg4 h GLN 239 Ca 0.37 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2jg4 h GLN 239 Cb 0.58 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 2jg4 h GLN 239 CO -0.43 1.06 0.36 0.93 -0.95 0.00 0.00 178.83 179.80 2jg4 h GLU 240 N 0.88 0.83 -0.05 1.46 4.39 -0.08 0.52 114.58 122.54 2jg4 h GLU 240 Ca 0.13 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2jg4 h GLU 240 Cb 0.71 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2jg4 h GLU 240 CO 0.05 0.61 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.36 2jg4 h LEU 241 N 0.82 -0.24 -0.40 1.33 3.38 -0.25 0.04 115.31 119.99 2jg4 h LEU 241 Ca 0.22 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.30 2jg4 h LEU 241 Cb 0.00 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2jg4 h LEU 241 CO -0.04 -0.11 0.03 -0.07 0.09 0.00 0.00 178.44 178.34 2jg4 h LEU 242 N -0.12 -0.09 -0.05 1.67 3.38 -0.66 -0.82 115.31 118.62 2jg4 h LEU 242 Ca 0.05 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2jg4 h LEU 242 Cb 0.18 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2jg4 h LEU 242 CO -0.12 -0.01 -0.08 0.11 0.09 0.00 0.00 178.44 178.43 2jg4 h LYS 243 N 0.15 -0.10 0.62 1.13 1.79 0.25 -0.56 116.57 119.84 2jg4 h LYS 243 Ca 0.20 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 2jg4 h LYS 243 Cb 0.26 0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2jg4 h LYS 243 CO -0.30 -0.07 -0.30 0.35 -1.08 0.00 0.00 179.45 178.06 2jg4 h PHE 244 N -0.11 -0.77 -0.29 -1.35 3.57 -0.82 0.36 116.94 117.53 2jg4 h PHE 244 Ca 0.05 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2jg4 h PHE 244 Cb 0.18 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 2jg4 h PHE 244 CO -0.17 -0.47 -0.24 1.25 -2.23 0.00 0.00 178.31 176.44 2jg4 h HIS 245 N -0.84 -0.65 -0.90 0.41 2.76 -1.12 0.13 115.15 114.94 2jg4 h HIS 245 Ca -0.08 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2jg4 h HIS 245 Cb 0.64 0.33 -0.05 0.00 1.55 0.00 0.00 27.41 29.88 2jg4 h HIS 245 CO -0.03 -0.32 0.60 1.03 -1.30 0.00 0.00 177.93 177.90 2jg4 h SER 246 N -0.23 1.01 0.51 3.26 0.87 -0.93 0.33 113.55 118.38 2jg4 h SER 246 Ca 0.15 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2jg4 h SER 246 Cb 0.47 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2jg4 h SER 246 CO -0.42 0.72 -0.25 0.00 -0.53 0.00 0.00 176.83 176.35 2jg4 h ALA 247 N 1.45 -0.69 0.00 6.23 0.00 0.61 -3.40 119.26 123.46 2jg4 h ALA 247 Ca 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jg4 h ALA 247 Cb -0.09 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jg4 h ALA 247 CO -0.08 -0.70 -1.94 0.66 0.00 0.00 0.00 179.25 177.18 2jg4 n TYR 248 N -5.26 0.08 -1.14 0.00 4.02 0.36 -4.51 117.16 110.70 2jg4 n TYR 248 Ca -0.10 0.02 -0.25 0.00 -0.01 0.00 0.00 57.90 57.56 2jg4 n TYR 248 Cb 0.31 -0.56 -0.10 0.00 -0.02 0.00 0.00 39.34 38.97 2jg4 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2jg4 n TYR 249 N -2.32 1.21 -3.12 -0.72 0.53 0.12 -4.86 117.16 107.99 2jg4 n TYR 249 Ca -0.05 -2.28 -0.39 0.00 -1.02 0.00 0.00 57.90 54.16 2jg4 n TYR 249 Cb 0.60 -2.04 -0.06 0.00 -1.03 0.00 0.00 39.34 36.81 2jg4 n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2jg4 s SER 250 N 2.11 7.18 0.46 7.72 0.15 -1.26 -4.84 113.70 125.22 2jg4 s SER 250 Ca 0.68 1.40 0.25 0.00 0.70 0.00 0.00 55.95 58.97 2jg4 s SER 250 Cb 0.25 -2.42 1.27 0.00 -1.71 0.00 0.00 66.02 63.41 2jg4 s SER 250 CO -0.03 0.19 1.83 0.77 1.20 0.00 0.00 173.24 177.20 2jg4 h SER 251 N 4.82 0.24 0.72 5.45 4.64 -1.68 -0.82 113.55 126.92 2jg4 h SER 251 Ca -0.47 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2jg4 h SER 251 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2jg4 h SER 251 CO 0.66 0.07 0.00 -0.55 -0.87 0.00 0.00 176.83 176.14 2jg4 h ASN 252 N 0.23 0.00 -0.53 4.97 -1.07 -1.82 -2.30 115.58 115.06 2jg4 h ASN 252 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.88 2jg4 h ASN 252 Cb 1.60 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.85 2jg4 h ASN 252 CO -0.14 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.54 2jg4 n LEU 253 N -2.89 5.26 -4.35 6.14 4.77 -0.31 -4.87 117.00 120.74 2jg4 n LEU 253 Ca 0.00 -2.88 -0.32 0.00 -0.03 0.00 0.00 56.01 52.78 2jg4 n LEU 253 Cb 0.23 -0.64 -0.15 0.00 -2.33 0.00 0.00 43.42 40.53 2jg4 n LEU 253 CO 0.24 0.66 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.39 2jg4 s MET 254 N -2.64 2.40 0.08 3.23 -1.94 -0.87 0.03 119.30 119.59 2jg4 s MET 254 Ca 0.52 -0.84 0.09 0.00 -1.71 0.00 0.00 55.69 53.74 2jg4 s MET 254 Cb 0.39 -2.20 -0.03 0.00 2.01 0.00 0.00 34.83 35.00 2jg4 s MET 254 CO 0.16 0.51 -0.24 0.00 -0.01 0.00 0.00 175.02 175.44 2jg4 s ALA 255 N -0.48 2.05 -0.02 3.03 0.00 -0.68 -2.21 121.76 123.45 2jg4 s ALA 255 Ca 0.06 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2jg4 s ALA 255 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2jg4 s ALA 255 CO 0.01 0.46 -0.07 0.08 0.00 0.00 0.00 175.76 176.24 2jg4 s VAL 256 N -0.95 0.60 -0.07 0.00 1.01 0.20 -0.82 120.40 120.37 2jg4 s VAL 256 Ca 0.10 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2jg4 s VAL 256 Cb -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2jg4 s VAL 256 CO 0.03 0.20 -0.19 0.00 0.00 0.00 0.00 175.10 175.15 2jg4 s VAL 258 N 0.34 1.37 -0.06 0.00 1.01 -0.65 -0.91 120.40 121.49 2jg4 s VAL 258 Ca -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2jg4 s VAL 258 Cb -0.15 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.07 2jg4 s VAL 258 CO 0.05 0.39 -0.12 -0.22 0.00 0.00 0.00 175.10 175.21 2jg4 s LEU 259 N -0.13 1.65 0.30 3.92 0.20 0.94 0.13 118.68 125.68 2jg4 s LEU 259 Ca 0.00 -0.29 -0.19 0.00 0.69 0.00 0.00 54.13 54.35 2jg4 s LEU 259 Cb -0.09 -0.80 0.06 0.00 -0.43 0.00 0.00 46.19 44.93 2jg4 s LEU 259 CO 0.01 0.04 0.90 -0.83 -0.29 0.00 0.00 176.35 176.17 2jg4 s GLY 260 N 0.63 0.25 0.41 7.98 0.00 -0.46 -0.92 107.32 115.21 2jg4 s GLY 260 Ca -0.14 -0.56 0.22 0.00 0.00 0.00 0.00 44.72 44.25 2jg4 s GLY 260 CO 0.03 0.90 1.70 3.21 0.00 0.00 0.00 173.10 178.95 2jg4 h ARG 261 N 2.00 0.00 -6.93 2.90 3.08 -1.87 -1.38 114.38 112.18 2jg4 h ARG 261 Ca -0.30 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.18 2jg4 h ARG 261 Cb 1.24 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.45 2jg4 h ARG 261 CO 0.38 0.23 0.27 0.39 -1.07 0.00 0.00 179.97 180.17 2jg4 n GLU 262 N -3.26 0.99 -0.99 0.04 4.71 -1.26 -4.28 120.64 116.58 2jg4 n GLU 262 Ca 0.01 0.38 -0.34 0.00 -0.01 0.00 0.00 57.16 57.21 2jg4 n GLU 262 Cb 0.52 -2.30 0.11 0.00 -1.01 0.00 0.00 31.44 28.76 2jg4 n GLU 262 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2jg4 n SER 263 N -1.17 -0.74 -0.36 1.62 3.41 -1.26 -4.63 113.62 110.48 2jg4 n SER 263 Ca 0.14 0.48 0.06 0.00 -0.26 0.00 0.00 58.87 59.30 2jg4 n SER 263 Cb 0.48 -1.32 0.23 0.00 -0.26 0.00 0.00 64.21 63.33 2jg4 n SER 263 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jg4 h LEU 264 N -1.09 0.95 -0.27 1.04 3.38 -1.95 0.77 115.31 118.13 2jg4 h LEU 264 Ca -0.45 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2jg4 h LEU 264 Cb 1.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2jg4 h LEU 264 CO 0.40 0.52 0.13 0.44 0.09 0.00 0.00 178.44 180.02 2jg4 h ASP 265 N 1.03 0.35 -0.68 -0.43 3.32 -1.99 0.37 116.42 118.39 2jg4 h ASP 265 Ca 0.49 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 2jg4 h ASP 265 Cb 0.43 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2jg4 h ASP 265 CO -0.25 0.37 0.27 0.44 -1.72 0.00 0.00 179.24 178.35 2jg4 h ASP 266 N 0.30 0.94 -0.48 6.45 3.32 -1.75 -0.98 116.42 124.22 2jg4 h ASP 266 Ca 0.09 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2jg4 h ASP 266 Cb 0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2jg4 h ASP 266 CO -0.01 0.85 0.23 -0.07 -1.72 0.00 0.00 179.24 178.52 2jg4 h LEU 267 N 0.96 0.66 0.61 1.55 3.38 -0.70 -1.68 115.31 120.11 2jg4 h LEU 267 Ca 0.23 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2jg4 h LEU 267 Cb 0.21 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jg4 h LEU 267 CO -0.02 0.58 -0.30 0.74 0.09 0.00 0.00 178.44 179.54 2jg4 h THR 268 N 0.73 0.37 -0.49 0.22 2.02 -0.10 -1.14 112.91 114.53 2jg4 h THR 268 Ca 0.18 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.34 2jg4 h THR 268 Cb 0.11 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 2jg4 h THR 268 CO -0.02 0.02 -0.10 0.78 0.37 0.00 0.00 175.52 176.57 2jg4 h ASN 269 N -0.91 -0.41 -0.34 4.18 2.35 -1.03 0.17 115.58 119.59 2jg4 h ASN 269 Ca -0.08 0.14 0.08 0.00 -0.55 0.00 0.00 56.30 55.88 2jg4 h ASN 269 Cb 0.66 0.29 -0.08 0.00 0.05 0.00 0.00 38.32 39.23 2jg4 h ASN 269 CO 0.14 -0.15 -0.25 0.25 -1.65 0.00 0.00 177.43 175.78 2jg4 h LEU 270 N 0.02 -0.81 -0.61 1.61 6.46 -1.23 0.53 115.31 121.27 2jg4 h LEU 270 Ca 0.24 0.16 -0.14 0.00 -0.12 0.00 0.00 57.88 58.01 2jg4 h LEU 270 Cb 0.36 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2jg4 h LEU 270 CO -0.49 -0.27 -0.47 0.58 -0.62 0.00 0.00 178.44 177.18 2jg4 h VAL 271 N -0.20 1.31 0.47 1.05 2.07 -0.24 -1.86 116.25 118.85 2jg4 h VAL 271 Ca 0.17 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 2jg4 h VAL 271 Cb 0.47 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2jg4 h VAL 271 CO -0.46 0.52 -0.23 0.58 0.02 0.00 0.00 177.57 178.00 2jg4 h VAL 272 N 0.44 0.54 -0.98 2.57 2.07 -0.62 -0.66 116.25 119.62 2jg4 h VAL 272 Ca 0.03 -0.06 0.18 0.00 0.82 0.00 0.00 66.70 67.66 2jg4 h VAL 272 Cb 0.98 0.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.22 2jg4 h VAL 272 CO 0.09 0.01 0.58 0.50 0.02 0.00 0.00 177.57 178.77 2jg4 h LYS 273 N -0.67 0.73 0.00 1.57 3.64 0.35 -2.30 116.57 119.89 2jg4 h LYS 273 Ca -0.06 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.15 2jg4 h LYS 273 Cb 0.50 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2jg4 h LYS 273 CO 0.11 0.48 -1.93 1.28 -2.27 0.00 0.00 179.45 177.12 2jg4 n LEU 274 N -4.78 0.20 -0.00 5.20 4.77 -0.72 -4.64 117.00 117.03 2jg4 n LEU 274 Ca 0.22 0.09 0.03 0.00 -0.03 0.00 0.00 56.01 56.32 2jg4 n LEU 274 Cb 0.54 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2jg4 n LEU 274 CO 0.21 0.14 -0.25 0.49 -1.33 0.00 0.00 177.39 176.65 2jg4 n PHE 275 N -2.52 0.00 0.75 -1.77 3.01 -0.26 -4.57 117.46 112.10 2jg4 n PHE 275 Ca -0.12 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.43 2jg4 n PHE 275 Cb 0.76 -0.06 0.44 0.00 -0.01 0.00 0.00 39.48 40.61 2jg4 n PHE 275 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2jg4 n SER 276 N -1.39 0.00 -0.46 4.37 3.41 -0.88 -2.24 113.62 116.44 2jg4 n SER 276 Ca 0.00 0.35 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2jg4 n SER 276 Cb 0.12 -0.44 0.43 0.00 -0.26 0.00 0.00 64.21 64.07 2jg4 n SER 276 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jg4 n GLU 277 N -1.44 1.48 -2.00 4.33 0.28 -1.26 -4.80 120.64 117.24 2jg4 n GLU 277 Ca 0.06 -0.92 -0.41 0.00 -0.16 0.00 0.00 57.16 55.73 2jg4 n GLU 277 Cb 0.21 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.57 2jg4 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2jg4 s VAL 278 N -2.15 2.65 -0.00 3.84 1.01 -0.95 -4.96 120.40 119.84 2jg4 s VAL 278 Ca 0.33 0.53 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 2jg4 s VAL 278 Cb 0.20 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2jg4 s VAL 278 CO 0.39 0.08 0.85 -0.70 0.00 0.00 0.00 175.10 175.72 2jg4 s GLU 279 N -0.10 4.52 -0.49 2.72 2.12 -1.26 -4.71 118.70 121.51 2jg4 s GLU 279 Ca 0.61 1.18 -0.27 0.00 0.36 0.00 0.00 54.97 56.86 2jg4 s GLU 279 Cb -0.42 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.57 2jg4 s GLU 279 CO 0.41 0.07 1.03 1.21 -0.54 0.00 0.00 175.26 177.44 2jg4 s ASN 280 N 0.66 6.53 0.00 -1.70 3.84 -1.26 -2.06 114.94 120.94 2jg4 s ASN 280 Ca 0.44 0.20 0.18 0.00 0.21 0.00 0.00 52.86 53.89 2jg4 s ASN 280 Cb -0.20 -2.50 0.44 0.00 -0.55 0.00 0.00 41.25 38.44 2jg4 s ASN 280 CO 0.24 -1.19 1.36 1.17 -2.79 0.00 0.00 177.10 175.89 2jg4 n LYS 281 N 7.58 2.55 -4.03 0.43 3.00 -1.26 -4.97 118.16 121.47 2jg4 n LYS 281 Ca 0.08 -2.26 -0.30 0.00 -0.00 0.00 0.00 58.31 55.83 2jg4 n LYS 281 Cb 0.49 -1.43 -0.02 0.00 0.00 0.00 0.00 35.03 34.07 2jg4 n LYS 281 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jg4 n ASN 282 N 1.17 -1.94 -4.71 3.14 3.02 -1.26 -4.92 115.26 109.76 2jg4 n ASN 282 Ca 0.18 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.33 2jg4 n ASN 282 Cb 0.53 -3.09 -0.03 0.00 -0.61 0.00 0.00 39.78 36.58 2jg4 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jg4 s VAL 283 N -3.64 4.05 0.33 2.41 1.01 -1.26 -4.98 120.40 118.32 2jg4 s VAL 283 Ca 0.34 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.49 2jg4 s VAL 283 Cb -0.18 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 2jg4 s VAL 283 CO 0.89 0.09 1.53 -2.84 0.00 0.00 0.00 175.10 174.77 2jg4 s PRO 284 N 1.32 4.13 -0.17 2.72 0.02 -1.26 -4.89 135.00 136.86 2jg4 s PRO 284 Ca 0.59 2.55 -0.29 0.00 0.02 0.00 0.00 61.00 63.86 2jg4 s PRO 284 Cb -0.29 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 2jg4 s PRO 284 CO 0.28 -0.56 1.42 -1.17 -0.33 0.00 0.00 177.00 176.64 2jg4 s LEU 285 N -1.27 4.11 0.57 -5.54 1.98 -1.26 -4.97 118.68 112.29 2jg4 s LEU 285 Ca 0.58 1.72 -0.20 0.00 -2.89 0.00 0.00 54.13 53.34 2jg4 s LEU 285 Cb -0.47 -3.54 -0.06 0.00 0.66 0.00 0.00 46.19 42.79 2jg4 s LEU 285 CO 0.55 -0.94 1.02 -2.65 -1.89 0.00 0.00 176.35 172.43 2jg4 n PRO 286 N 7.03 1.06 -3.88 0.98 -0.02 -1.26 -5.03 135.00 133.89 2jg4 n PRO 286 Ca 0.16 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2jg4 n PRO 286 Cb 0.45 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 2jg4 n PRO 286 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jg4 s GLU 287 N -2.65 0.40 -0.45 -0.52 2.02 -1.26 -4.87 118.70 111.37 2jg4 s GLU 287 Ca 0.73 -0.31 0.09 0.00 0.02 0.00 0.00 54.97 55.50 2jg4 s GLU 287 Cb -0.44 0.16 0.31 0.00 0.10 0.00 0.00 34.13 34.26 2jg4 s GLU 287 CO 0.49 -0.09 0.71 1.19 0.02 0.00 0.00 175.26 177.58 2jg4 n PHE 288 N 1.77 1.17 0.15 1.61 3.72 0.67 -4.95 117.46 121.61 2jg4 n PHE 288 Ca -0.21 -3.82 0.04 0.00 -0.05 0.00 0.00 57.45 53.41 2jg4 n PHE 288 Cb 0.56 -0.43 0.46 0.00 -0.94 0.00 0.00 39.48 39.13 2jg4 n PHE 288 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2jg4 h PRO 289 N 3.43 0.18 -6.20 -1.08 0.13 -1.80 -3.34 132.00 123.33 2jg4 h PRO 289 Ca 0.11 -0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.66 2jg4 h PRO 289 Cb 0.82 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 31.88 2jg4 h PRO 289 CO 0.59 0.27 0.19 -2.00 -0.23 0.00 0.00 178.00 176.83 2jg4 s GLU 290 N -4.85 4.49 0.28 0.86 2.12 -1.26 -4.82 118.70 115.53 2jg4 s GLU 290 Ca -0.05 1.09 -0.29 0.00 0.36 0.00 0.00 54.97 56.07 2jg4 s GLU 290 Cb 0.16 -3.44 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 2jg4 s GLU 290 CO 0.71 0.06 1.20 -1.58 -0.54 0.00 0.00 175.26 175.11 2jg4 s HIS 291 N 0.75 3.34 -0.33 5.30 5.65 -1.26 -4.91 115.29 123.83 2jg4 s HIS 291 Ca 0.43 1.53 0.23 0.00 0.25 0.00 0.00 55.06 57.50 2jg4 s HIS 291 Cb -0.19 -3.47 1.10 0.00 -1.18 0.00 0.00 32.58 28.83 2jg4 s HIS 291 CO 0.22 -1.22 1.71 -2.30 -0.65 0.00 0.00 174.74 172.50 2jg4 n PRO 292 N 1.27 0.18 -3.68 2.88 -0.02 -1.26 -4.19 135.00 130.18 2jg4 n PRO 292 Ca 0.00 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 2jg4 n PRO 292 Cb 0.43 -1.93 -0.12 0.00 -0.02 0.00 0.00 33.50 31.87 2jg4 n PRO 292 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jg4 s PHE 293 N -3.44 3.26 0.27 6.00 0.08 -1.26 -0.11 117.98 122.78 2jg4 s PHE 293 Ca 0.01 -1.27 0.04 0.00 0.12 0.00 0.00 56.93 55.83 2jg4 s PHE 293 Cb 0.08 -2.39 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2jg4 s PHE 293 CO 0.31 -0.71 0.35 1.04 -0.10 0.00 0.00 175.22 176.11 2jg4 n GLN 294 N 4.89 0.86 -0.01 0.44 1.13 -1.26 -4.95 117.38 118.48 2jg4 n GLN 294 Ca -0.12 -1.50 -0.00 0.00 -1.94 0.00 0.00 57.00 53.44 2jg4 n GLN 294 Cb 0.45 -0.07 -0.00 0.00 0.11 0.00 0.00 30.24 30.73 2jg4 n GLN 294 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2jg4 n GLU 295 N -1.52 -0.01 0.00 -1.09 4.07 -1.26 -1.05 120.64 119.79 2jg4 n GLU 295 Ca 0.06 0.36 0.11 0.00 -0.06 0.00 0.00 57.16 57.63 2jg4 n GLU 295 Cb 0.28 -0.54 0.63 0.00 -0.06 0.00 0.00 31.44 31.76 2jg4 n GLU 295 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2jg4 n GLU 296 N -2.47 0.65 0.00 5.31 0.00 -1.26 -1.14 120.64 121.72 2jg4 n GLU 296 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 57.16 57.28 2jg4 n GLU 296 Cb 0.01 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 29.96 2jg4 n GLU 296 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2jg4 n HIS 297 N -1.02 0.00 -3.54 -1.84 8.25 -0.21 -4.94 115.22 111.91 2jg4 n HIS 297 Ca 0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.43 2jg4 n HIS 297 Cb 0.08 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 2jg4 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2jg4 s LEU 298 N -2.51 4.03 -1.49 2.41 1.43 -0.30 -4.38 118.68 117.88 2jg4 s LEU 298 Ca 0.18 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2jg4 s LEU 298 Cb 0.18 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2jg4 s LEU 298 CO 0.59 -0.38 0.11 0.29 0.23 0.00 0.00 176.35 177.19 2jg4 n LYS 299 N -1.61 -2.40 -4.06 1.70 5.02 0.50 -4.94 118.16 112.37 2jg4 n LYS 299 Ca -0.01 0.83 -0.36 0.00 -2.02 0.00 0.00 58.31 56.75 2jg4 n LYS 299 Cb 0.58 -5.51 -0.08 0.00 -0.02 0.00 0.00 35.03 30.01 2jg4 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jg4 s GLN 300 N -5.19 3.38 0.01 1.97 -1.52 -1.24 0.06 119.66 117.14 2jg4 s GLN 300 Ca 0.06 -0.26 0.00 0.00 -1.95 0.00 0.00 55.36 53.22 2jg4 s GLN 300 Cb -0.03 -3.07 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 2jg4 s GLN 300 CO 0.08 0.67 0.08 -1.17 -0.25 0.00 0.00 175.29 174.69 2jg4 s LEU 301 N -0.74 3.87 -0.06 2.90 2.96 0.59 -1.44 118.68 126.76 2jg4 s LEU 301 Ca 0.12 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2jg4 s LEU 301 Cb -0.12 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.29 2jg4 s LEU 301 CO 0.03 0.26 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.94 2jg4 s TYR 302 N -1.22 0.94 -0.18 5.38 1.51 0.89 -1.95 117.35 122.72 2jg4 s TYR 302 Ca 0.24 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2jg4 s TYR 302 Cb -0.12 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 2jg4 s TYR 302 CO 0.15 -0.24 -0.07 0.15 -1.11 0.00 0.00 175.55 174.43 2jg4 s LYS 303 N 0.99 3.45 -0.01 -0.62 1.02 -0.13 -0.49 119.74 123.96 2jg4 s LYS 303 Ca -0.10 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.31 2jg4 s LYS 303 Cb -0.14 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2jg4 s LYS 303 CO -0.00 0.04 -0.11 0.42 -0.92 0.00 0.00 175.35 174.78 2jg4 s ILE 304 N 0.85 0.88 -0.28 2.17 1.01 0.19 -0.68 121.20 125.35 2jg4 s ILE 304 Ca -0.02 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.02 2jg4 s ILE 304 Cb -0.15 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 2jg4 s ILE 304 CO 0.01 0.25 0.34 -0.69 0.00 0.00 0.00 174.94 174.86 2jg4 s VAL 305 N -0.20 5.19 0.72 2.92 1.01 -0.38 -1.22 120.40 128.45 2jg4 s VAL 305 Ca 0.03 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 2jg4 s VAL 305 Cb -0.05 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.71 2jg4 s VAL 305 CO -0.00 0.15 1.04 -2.16 0.00 0.00 0.00 175.10 174.12 2jg4 s PRO 306 N 2.02 2.15 -0.14 2.72 0.04 -1.26 -4.55 135.00 135.98 2jg4 s PRO 306 Ca 0.13 -0.22 -0.16 0.00 0.04 0.00 0.00 61.00 60.79 2jg4 s PRO 306 Cb -0.16 -2.14 -0.14 0.00 0.04 0.00 0.00 34.50 32.10 2jg4 s PRO 306 CO 0.10 -1.30 0.28 0.82 0.04 0.00 0.00 177.00 176.95 2jg4 h ILE 307 N -0.66 0.82 -4.27 0.56 1.08 -1.97 -3.47 117.51 109.59 2jg4 h ILE 307 Ca -0.45 -1.72 -0.49 0.00 -0.39 0.00 0.00 64.86 61.81 2jg4 h ILE 307 Cb 1.32 1.65 0.11 0.00 -3.07 0.00 0.00 36.82 36.83 2jg4 h ILE 307 CO 0.61 0.28 0.33 -0.54 -0.69 0.00 0.00 178.15 178.13 2jg4 s LYS 308 N -2.07 2.13 -1.20 2.37 1.02 -1.26 -4.94 119.74 115.78 2jg4 s LYS 308 Ca -0.15 0.74 -0.17 0.00 0.02 0.00 0.00 55.97 56.41 2jg4 s LYS 308 Cb 0.01 -1.91 0.11 0.00 -0.52 0.00 0.00 37.83 35.51 2jg4 s LYS 308 CO 0.40 -1.62 1.54 0.34 -0.92 0.00 0.00 175.35 175.10 2jg4 s ASP 309 N -3.80 6.87 0.18 2.83 2.15 -1.26 -4.87 116.67 118.77 2jg4 s ASP 309 Ca 0.61 -2.51 0.10 0.00 0.43 0.00 0.00 52.55 51.18 2jg4 s ASP 309 Cb -0.15 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 2jg4 s ASP 309 CO 0.55 -1.04 -0.21 0.27 -0.17 0.00 0.00 175.17 174.56 2jg4 s ILE 310 N 3.20 2.08 -0.26 4.11 -4.36 -1.26 -4.86 121.20 119.84 2jg4 s ILE 310 Ca 0.47 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.90 2jg4 s ILE 310 Cb 0.00 -1.97 0.08 0.00 1.25 0.00 0.00 42.46 41.82 2jg4 s ILE 310 CO 0.02 -0.21 0.02 -0.13 0.24 0.00 0.00 174.94 174.88 2jg4 s ARG 311 N -2.69 1.14 0.02 0.37 0.52 -1.25 -4.16 118.95 112.89 2jg4 s ARG 311 Ca 0.18 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 2jg4 s ARG 311 Cb -0.07 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 2jg4 s ARG 311 CO 0.08 -0.76 -0.10 -0.80 0.02 0.00 0.00 175.30 173.75 2jg4 s ASN 312 N 1.51 1.15 -0.18 0.23 0.01 -0.63 -0.20 114.94 116.82 2jg4 s ASN 312 Ca 0.01 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.80 2jg4 s ASN 312 Cb -0.18 -0.07 -0.01 0.00 0.41 0.00 0.00 41.25 41.39 2jg4 s ASN 312 CO -0.12 0.01 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.18 2jg4 s LEU 313 N -0.80 2.85 -0.19 0.60 2.96 -0.19 -0.27 118.68 123.63 2jg4 s LEU 313 Ca -0.00 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2jg4 s LEU 313 Cb -0.06 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 2jg4 s LEU 313 CO 0.00 0.06 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.72 2jg4 s TYR 314 N 1.00 2.94 -0.07 5.38 2.02 0.11 -1.71 117.35 127.02 2jg4 s TYR 314 Ca -0.00 -0.81 0.05 0.00 -0.37 0.00 0.00 57.07 55.94 2jg4 s TYR 314 Cb -0.15 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2jg4 s TYR 314 CO -0.00 -0.42 -0.23 0.08 -1.57 0.00 0.00 175.55 173.41 2jg4 s VAL 315 N 1.11 2.21 -0.05 0.71 1.01 -0.83 -0.69 120.40 123.87 2jg4 s VAL 315 Ca 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 2jg4 s VAL 315 Cb -0.15 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2jg4 s VAL 315 CO -0.01 0.57 0.11 -0.89 0.00 0.00 0.00 175.10 174.87 2jg4 s THR 316 N -0.03 -0.03 -0.05 3.92 2.01 -0.50 -1.33 115.64 119.63 2jg4 s THR 316 Ca -0.07 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.10 2jg4 s THR 316 Cb -0.15 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 2jg4 s THR 316 CO 0.05 0.05 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.43 2jg4 s PHE 317 N 0.69 2.23 0.17 4.92 0.40 0.40 -1.18 117.98 125.61 2jg4 s PHE 317 Ca -0.05 -0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 55.34 2jg4 s PHE 317 Cb -0.07 -1.47 -0.08 0.00 0.51 0.00 0.00 43.02 41.91 2jg4 s PHE 317 CO -0.03 -0.19 1.18 -1.25 0.70 0.00 0.00 175.22 175.63 2jg4 s PRO 318 N -0.15 4.50 0.13 0.24 0.04 -1.26 -0.48 135.00 138.02 2jg4 s PRO 318 Ca -0.03 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.88 2jg4 s PRO 318 Cb -0.13 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2jg4 s PRO 318 CO 0.03 -0.07 -0.08 0.96 0.04 0.00 0.00 177.00 177.88 2jg4 s ILE 319 N 0.01 0.93 0.94 0.56 -4.36 -0.60 -4.85 121.20 113.84 2jg4 s ILE 319 Ca 0.53 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 2jg4 s ILE 319 Cb -0.32 -1.79 0.16 0.00 1.25 0.00 0.00 42.46 41.76 2jg4 s ILE 319 CO 0.36 -0.79 1.09 -2.84 0.24 0.00 0.00 174.94 173.00 2jg4 s PRO 320 N -3.80 0.85 -0.16 0.37 0.02 -1.26 -1.80 135.00 129.23 2jg4 s PRO 320 Ca 0.15 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 61.90 2jg4 s PRO 320 Cb 0.04 -1.75 -0.05 0.00 0.02 0.00 0.00 34.50 32.77 2jg4 s PRO 320 CO -0.02 -2.58 1.86 0.34 -0.33 0.00 0.00 177.00 176.28 2jg4 s ASP 321 N -3.07 6.16 0.00 2.53 3.68 -1.26 -4.09 116.67 120.62 2jg4 s ASP 321 Ca 0.65 1.95 0.24 0.00 2.13 0.00 0.00 52.55 57.52 2jg4 s ASP 321 Cb -0.20 -2.53 0.29 0.00 -1.45 0.00 0.00 42.92 39.03 2jg4 s ASP 321 CO 0.59 -1.39 1.26 0.18 0.13 0.00 0.00 175.17 175.94 2jg4 n LEU 322 N 9.06 1.18 -0.32 -1.34 4.77 -1.26 -4.55 117.00 124.55 2jg4 n LEU 322 Ca 0.22 -0.39 0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2jg4 n LEU 322 Cb 0.44 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2jg4 n LEU 322 CO 0.66 0.24 0.65 -0.61 -1.33 0.00 0.00 177.39 177.00 2jg4 h GLN 323 N 1.03 -0.02 0.00 3.23 5.75 -1.99 0.28 115.11 123.39 2jg4 h GLN 323 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2jg4 h GLN 323 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 2jg4 h GLN 323 CO 0.00 -0.01 0.01 1.57 -2.65 0.00 0.00 178.83 177.75 2jg4 h LYS 324 N -0.02 0.00 -1.06 1.69 2.10 -1.98 -2.22 116.57 115.08 2jg4 h LYS 324 Ca 0.38 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.78 2jg4 h LYS 324 Cb 0.63 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.81 2jg4 h LYS 324 CO -0.91 0.00 0.32 0.66 -2.00 0.00 0.00 179.45 177.52 2jg4 n TYR 325 N -2.99 1.45 0.28 0.07 4.01 0.98 -4.58 117.16 116.37 2jg4 n TYR 325 Ca -0.03 -1.22 0.12 0.00 -0.16 0.00 0.00 57.90 56.61 2jg4 n TYR 325 Cb 0.08 -0.62 0.78 0.00 -0.31 0.00 0.00 39.34 39.27 2jg4 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2jg4 h TYR 326 N 0.57 0.00 0.00 -0.72 -0.00 -1.55 -0.40 116.97 114.87 2jg4 h TYR 326 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.03 2jg4 h TYR 326 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.51 2jg4 h TYR 326 CO 0.76 0.04 0.00 0.87 -0.00 0.00 0.00 178.16 179.83 2jg4 h LYS 327 N 0.00 0.00 0.00 0.10 1.57 -1.88 -3.27 116.57 113.09 2jg4 h LYS 327 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jg4 h LYS 327 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jg4 h LYS 327 CO 0.01 0.00 -0.67 -1.13 -0.57 0.00 0.00 179.45 177.09 2jg4 n SER 328 N -2.65 3.34 -4.00 0.86 3.41 -0.31 -0.41 113.62 113.85 2jg4 n SER 328 Ca 0.01 -0.12 -0.37 0.00 -0.26 0.00 0.00 58.87 58.13 2jg4 n SER 328 Cb 0.26 0.91 0.02 0.00 -0.26 0.00 0.00 64.21 65.13 2jg4 n SER 328 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jg4 n ASN 329 N -1.24 -3.27 0.10 4.04 3.02 -0.32 -4.81 115.26 112.78 2jg4 n ASN 329 Ca 0.00 -1.04 0.06 0.00 -0.03 0.00 0.00 54.58 53.57 2jg4 n ASN 329 Cb 0.00 -1.25 0.51 0.00 -0.61 0.00 0.00 39.78 38.42 2jg4 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2jg4 h PRO 330 N -1.43 0.33 -0.18 3.52 0.13 -1.93 -0.81 132.00 131.63 2jg4 h PRO 330 Ca -0.57 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.44 2jg4 h PRO 330 Cb 1.12 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2jg4 h PRO 330 CO 0.41 0.22 -0.34 0.78 -0.23 0.00 0.00 178.00 178.84 2jg4 h GLY 331 N 0.34 0.40 1.51 1.56 0.00 -1.92 -2.85 103.07 102.12 2jg4 h GLY 331 Ca 0.10 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.85 2jg4 h GLY 331 CO -0.02 0.32 -0.89 0.45 0.00 0.00 0.00 176.54 176.40 2jg4 h HIS 332 N 0.32 0.65 -0.42 5.60 3.86 -1.56 -0.53 115.15 123.08 2jg4 h HIS 332 Ca 0.04 -0.34 0.09 0.00 -1.16 0.00 0.00 60.37 59.00 2jg4 h HIS 332 Cb 0.75 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 29.05 2jg4 h HIS 332 CO 0.02 1.15 -0.17 -0.92 0.86 0.00 0.00 177.93 178.86 2jg4 h TYR 333 N 0.27 -0.42 -0.13 2.45 3.20 -1.15 0.73 116.97 121.91 2jg4 h TYR 333 Ca -0.07 0.04 -0.18 0.00 3.14 0.00 0.00 58.73 61.67 2jg4 h TYR 333 Cb 1.52 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 40.03 2jg4 h TYR 333 CO 0.06 -0.25 -0.65 -0.07 -1.64 0.00 0.00 178.16 175.61 2jg4 h LEU 334 N -0.09 0.58 -0.35 2.82 3.38 -1.42 -1.95 115.31 118.28 2jg4 h LEU 334 Ca 0.20 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2jg4 h LEU 334 Cb 0.40 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2jg4 h LEU 334 CO -0.48 1.08 0.13 1.23 0.09 0.00 0.00 178.44 180.49 2jg4 h GLY 335 N 1.12 0.45 0.95 0.83 0.00 -0.44 0.21 103.07 106.19 2jg4 h GLY 335 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2jg4 h GLY 335 CO 0.12 0.04 0.66 0.84 0.00 0.00 0.00 176.54 178.19 2jg4 h HIS 336 N 0.29 1.24 0.13 5.60 -0.00 0.75 0.12 115.15 123.28 2jg4 h HIS 336 Ca 0.16 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2jg4 h HIS 336 Cb 0.12 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 27.12 2jg4 h HIS 336 CO -0.13 0.74 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.40 2jg4 h LEU 337 N 1.30 -0.15 -1.59 0.26 4.07 -1.04 -3.03 115.31 115.12 2jg4 h LEU 337 Ca 0.38 -0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.26 2jg4 h LEU 337 Cb -0.07 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2jg4 h LEU 337 CO -0.10 0.37 0.30 0.40 -1.08 0.00 0.00 178.44 178.33 2jg4 h ILE 338 N -1.03 1.07 -0.30 1.22 2.04 -0.62 -1.88 117.51 118.01 2jg4 h ILE 338 Ca -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2jg4 h ILE 338 Cb 0.25 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2jg4 h ILE 338 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.89 2jg4 n GLY 339 N -1.48 0.57 3.74 5.37 0.00 0.43 -4.69 105.19 109.12 2jg4 n GLY 339 Ca 0.04 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2jg4 n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jg4 s HIS 340 N -1.60 2.23 0.00 1.61 2.46 -0.71 -4.79 115.29 114.49 2jg4 s HIS 340 Ca 0.27 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.41 2jg4 s HIS 340 Cb 0.14 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.31 2jg4 s HIS 340 CO 0.20 -2.23 0.68 0.39 -2.47 0.00 0.00 174.74 171.30 2jg4 n GLU 341 N -3.06 1.18 -1.94 2.88 1.02 -1.26 -4.28 120.64 115.17 2jg4 n GLU 341 Ca 0.11 -0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 56.05 2jg4 n GLU 341 Cb 0.52 -0.82 0.19 0.00 -0.02 0.00 0.00 31.44 31.30 2jg4 n GLU 341 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2jg4 s GLY 342 N -0.46 1.79 0.17 0.62 0.00 -1.26 -4.24 107.32 103.94 2jg4 s GLY 342 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 44.72 43.17 2jg4 s GLY 342 CO 0.00 -0.45 1.23 -1.05 0.00 0.00 0.00 173.10 172.83 2jg4 n PRO 343 N -3.76 1.33 -0.27 2.90 -0.02 -1.26 -1.90 135.00 132.02 2jg4 n PRO 343 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2jg4 n PRO 343 Cb 0.59 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2jg4 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jg4 n GLY 344 N 2.12 0.90 3.87 -1.23 0.00 -1.26 -4.64 105.19 104.95 2jg4 n GLY 344 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2jg4 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jg4 s SER 345 N -2.94 6.34 0.17 1.61 1.04 -0.80 -1.72 113.70 117.40 2jg4 s SER 345 Ca 0.00 1.41 -0.25 0.00 0.48 0.00 0.00 55.95 57.60 2jg4 s SER 345 Cb 0.00 -2.46 0.05 0.00 0.10 0.00 0.00 66.02 63.71 2jg4 s SER 345 CO 0.00 -0.76 1.58 0.25 0.98 0.00 0.00 173.24 175.28 2jg4 h LEU 346 N 0.08 -1.38 -0.58 2.42 5.85 -1.84 -2.49 115.31 117.38 2jg4 h LEU 346 Ca -0.45 0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.58 2jg4 h LEU 346 Cb 1.19 0.63 -0.06 0.00 0.37 0.00 0.00 40.66 42.79 2jg4 h LEU 346 CO 0.62 -0.34 0.23 0.25 -0.34 0.00 0.00 178.44 178.86 2jg4 h LEU 347 N -0.24 0.26 -0.40 2.25 6.46 -1.86 -2.54 115.31 119.23 2jg4 h LEU 347 Ca 0.18 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 2jg4 h LEU 347 Cb 0.57 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.44 2jg4 h LEU 347 CO -0.64 0.16 -0.34 0.28 -0.62 0.00 0.00 178.44 177.28 2jg4 h SER 348 N 0.43 -1.12 -0.07 1.25 0.02 -1.73 0.64 113.55 112.97 2jg4 h SER 348 Ca 0.28 0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2jg4 h SER 348 Cb 0.31 0.52 -0.00 0.00 0.14 0.00 0.00 62.40 63.36 2jg4 h SER 348 CO -0.27 -0.33 0.03 -0.08 -1.14 0.00 0.00 176.83 175.05 2jg4 h GLU 349 N -0.26 0.11 -0.71 3.45 4.57 -1.40 -0.15 114.58 120.19 2jg4 h GLU 349 Ca 0.17 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.50 2jg4 h GLU 349 Cb 0.54 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 2jg4 h GLU 349 CO -0.54 0.24 0.49 -0.07 -1.18 0.00 0.00 179.01 177.94 2jg4 h LEU 350 N -0.05 0.23 0.18 1.64 3.38 -1.01 0.30 115.31 119.99 2jg4 h LEU 350 Ca 0.02 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.73 2jg4 h LEU 350 Cb 0.17 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.91 2jg4 h LEU 350 CO -0.00 0.12 -1.29 0.50 0.09 0.00 0.00 178.44 177.85 2jg4 h LYS 351 N 0.24 0.39 -0.69 1.13 3.64 -0.53 0.16 116.57 120.92 2jg4 h LYS 351 Ca 0.35 -0.66 0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2jg4 h LYS 351 Cb 1.01 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 2jg4 h LYS 351 CO -0.08 1.32 0.37 0.77 -2.27 0.00 0.00 179.45 179.55 2jg4 h SER 352 N -0.11 0.51 0.01 4.20 0.02 -0.25 0.90 113.55 118.84 2jg4 h SER 352 Ca -0.24 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2jg4 h SER 352 Cb 1.91 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.40 2jg4 h SER 352 CO 0.18 0.32 0.00 0.29 -1.14 0.00 0.00 176.83 176.48 2jg4 n LYS 353 N -4.82 0.58 -2.08 3.45 5.02 0.02 -4.86 118.16 115.48 2jg4 n LYS 353 Ca 0.10 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.25 2jg4 n LYS 353 Cb 0.22 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2jg4 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jg4 n GLY 354 N 0.17 0.16 0.13 0.72 0.00 0.31 -4.93 105.19 101.74 2jg4 n GLY 354 Ca 0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2jg4 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jg4 n TRP 355 N -3.71 0.34 -4.21 1.61 8.01 -0.01 -4.33 117.44 115.15 2jg4 n TRP 355 Ca -0.16 0.08 -0.13 0.00 -1.31 0.00 0.00 57.50 55.98 2jg4 n TRP 355 Cb 0.59 -1.05 -0.10 0.00 -2.01 0.00 0.00 31.31 28.74 2jg4 n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2jg4 s VAL 356 N -2.53 0.98 -0.15 -0.99 -7.23 -0.86 -1.46 120.40 108.16 2jg4 s VAL 356 Ca -0.29 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2jg4 s VAL 356 Cb 0.08 -1.70 -0.12 0.00 0.56 0.00 0.00 36.38 35.20 2jg4 s VAL 356 CO 0.67 -0.75 -0.08 0.59 -0.31 0.00 0.00 175.10 175.21 2jg4 n ASN 357 N 0.01 2.50 -4.10 4.85 3.02 -1.26 -3.90 115.26 116.37 2jg4 n ASN 357 Ca -0.12 -0.06 -0.11 0.00 -0.03 0.00 0.00 54.58 54.26 2jg4 n ASN 357 Cb 0.60 0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.74 2jg4 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jg4 s THR 358 N -2.32 0.50 -0.02 3.41 -4.23 -1.26 -5.01 115.64 106.72 2jg4 s THR 358 Ca -0.17 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2jg4 s THR 358 Cb 0.05 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.74 2jg4 s THR 358 CO 0.41 -0.70 0.04 -0.22 -0.54 0.00 0.00 174.62 173.62 2jg4 s LEU 359 N -2.38 1.80 -0.07 4.79 0.20 -1.26 -2.88 118.68 118.88 2jg4 s LEU 359 Ca 0.01 0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.96 2jg4 s LEU 359 Cb -0.01 0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.88 2jg4 s LEU 359 CO -0.04 -0.02 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.09 2jg4 s VAL 360 N 0.09 1.90 0.02 1.68 1.01 0.62 -4.97 120.40 120.74 2jg4 s VAL 360 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2jg4 s VAL 360 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2jg4 s VAL 360 CO -0.00 0.53 -0.03 -0.83 0.00 0.00 0.00 175.10 174.77 2jg4 s GLY 361 N 0.05 0.21 0.00 4.51 0.00 -1.26 -0.19 107.32 110.64 2jg4 s GLY 361 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2jg4 s GLY 361 CO 0.05 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.19 2jg4 n GLY 362 N 1.80 0.50 3.77 0.20 0.00 -0.85 -4.51 105.19 106.10 2jg4 n GLY 362 Ca -0.22 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2jg4 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jg4 s GLN 363 N -1.72 4.63 -0.04 1.61 -2.07 -1.26 -1.41 119.66 119.39 2jg4 s GLN 363 Ca 0.00 1.37 0.06 0.00 -1.82 0.00 0.00 55.36 54.96 2jg4 s GLN 363 Cb 0.00 -2.89 -0.01 0.00 -1.09 0.00 0.00 33.01 29.02 2jg4 s GLN 363 CO 0.00 0.32 -0.22 0.21 -1.32 0.00 0.00 175.29 174.28 2jg4 s LYS 364 N -1.89 2.05 0.52 9.60 2.20 0.50 -4.93 119.74 127.80 2jg4 s LYS 364 Ca 0.49 -0.78 -0.22 0.00 -0.36 0.00 0.00 55.97 55.10 2jg4 s LYS 364 Cb -0.20 -1.83 -0.06 0.00 -1.51 0.00 0.00 37.83 34.23 2jg4 s LYS 364 CO 0.25 0.38 1.26 -1.21 -0.36 0.00 0.00 175.35 175.67 2jg4 s GLU 365 N -0.23 3.33 0.00 4.03 2.02 -1.26 -1.51 118.70 125.08 2jg4 s GLU 365 Ca 0.01 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.00 2jg4 s GLU 365 Cb -0.11 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.86 2jg4 s GLU 365 CO 0.02 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.74 2jg4 n GLY 366 N 0.59 0.74 3.61 -1.39 0.00 -1.21 -4.70 105.19 102.85 2jg4 n GLY 366 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 2jg4 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg4 n ALA 367 N -3.00 -2.24 -1.52 4.61 0.00 -0.63 -4.98 120.51 112.74 2jg4 n ALA 367 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 51.98 2jg4 n ALA 367 Cb 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 19.45 20.07 2jg4 n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jg4 n ARG 368 N -0.62 0.88 0.00 0.00 5.12 -1.26 -1.62 116.66 119.15 2jg4 n ARG 368 Ca -0.04 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2jg4 n ARG 368 Cb 0.55 -2.79 0.00 0.00 -1.16 0.00 0.00 32.46 29.07 2jg4 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jg4 n GLY 369 N 6.22 1.90 3.31 -0.13 0.00 -1.26 -0.24 105.19 114.98 2jg4 n GLY 369 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 2jg4 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jg4 s PHE 370 N -1.94 -0.29 0.33 1.61 -0.12 -0.64 -4.16 117.98 112.77 2jg4 s PHE 370 Ca 0.00 0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 57.31 2jg4 s PHE 370 Cb 0.00 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2jg4 s PHE 370 CO 0.00 -0.46 0.42 -1.64 -0.05 0.00 0.00 175.22 173.49 2jg4 s MET 371 N -1.46 1.83 0.08 1.99 -1.94 -0.74 -1.61 119.30 117.45 2jg4 s MET 371 Ca -0.12 -1.79 0.04 0.00 -1.71 0.00 0.00 55.69 52.12 2jg4 s MET 371 Cb -0.03 0.41 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 2jg4 s MET 371 CO 0.05 -0.74 -0.12 -0.06 -0.01 0.00 0.00 175.02 174.14 2jg4 s PHE 372 N -3.22 1.10 -0.09 -0.03 0.40 -0.57 -1.56 117.98 113.99 2jg4 s PHE 372 Ca 0.33 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2jg4 s PHE 372 Cb 0.01 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.90 2jg4 s PHE 372 CO 0.21 0.02 -0.10 0.12 0.70 0.00 0.00 175.22 176.18 2jg4 s PHE 373 N -1.75 2.86 0.18 0.36 2.19 0.37 -0.37 117.98 121.82 2jg4 s PHE 373 Ca 0.00 -0.25 0.08 0.00 0.33 0.00 0.00 56.93 57.09 2jg4 s PHE 373 Cb -0.07 -1.77 -0.04 0.00 -1.31 0.00 0.00 43.02 39.83 2jg4 s PHE 373 CO 0.01 0.09 -0.16 0.96 1.83 0.00 0.00 175.22 177.95 2jg4 s ILE 374 N -0.28 1.76 -0.23 3.12 -4.36 -0.50 -0.45 121.20 120.24 2jg4 s ILE 374 Ca 0.03 -2.04 -0.03 0.00 -0.26 0.00 0.00 60.65 58.35 2jg4 s ILE 374 Cb -0.13 -1.91 0.10 0.00 1.25 0.00 0.00 42.46 41.77 2jg4 s ILE 374 CO 0.03 -0.45 0.23 -0.63 0.24 0.00 0.00 174.94 174.35 2jg4 s ILE 375 N -2.47 -0.31 -0.02 8.37 1.01 -0.44 -2.00 121.20 125.33 2jg4 s ILE 375 Ca 0.18 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.64 2jg4 s ILE 375 Cb -0.03 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2jg4 s ILE 375 CO 0.07 -0.32 -0.22 0.20 0.00 0.00 0.00 174.94 174.66 2jg4 s ASN 376 N 2.31 2.63 0.04 3.58 0.01 0.73 -1.97 114.94 122.27 2jg4 s ASN 376 Ca 0.08 -0.41 0.02 0.00 -0.71 0.00 0.00 52.86 51.83 2jg4 s ASN 376 Cb -0.15 -0.37 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 2jg4 s ASN 376 CO -0.19 0.26 -0.07 0.68 -1.51 0.00 0.00 177.10 176.27 2jg4 s VAL 377 N -0.45 0.49 1.02 1.60 -7.23 -0.69 -0.27 120.40 114.86 2jg4 s VAL 377 Ca 0.07 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.96 2jg4 s VAL 377 Cb -0.09 -0.63 0.21 0.00 0.56 0.00 0.00 36.38 36.42 2jg4 s VAL 377 CO -0.00 -0.43 1.23 1.51 -0.31 0.00 0.00 175.10 177.09 2jg4 s ASP 378 N -1.66 2.60 -0.03 4.85 3.84 -1.14 -1.03 116.67 124.11 2jg4 s ASP 378 Ca -0.09 0.50 -0.01 0.00 -0.00 0.00 0.00 52.55 52.95 2jg4 s ASP 378 Cb -0.09 -0.70 0.03 0.00 -1.38 0.00 0.00 42.92 40.78 2jg4 s ASP 378 CO -0.00 -3.07 0.04 -0.76 -0.00 0.00 0.00 175.17 171.38 2jg4 s LEU 379 N -6.20 0.79 0.86 2.11 1.43 0.72 -4.39 118.68 114.01 2jg4 s LEU 379 Ca 0.71 0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 2jg4 s LEU 379 Cb -0.07 -0.09 0.11 0.00 0.03 0.00 0.00 46.19 46.16 2jg4 s LEU 379 CO 0.54 -0.17 1.11 0.42 0.23 0.00 0.00 176.35 178.48 2jg4 s THR 380 N 1.41 2.62 0.20 5.49 -4.23 -0.54 -4.64 115.64 115.96 2jg4 s THR 380 Ca -0.05 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.55 2jg4 s THR 380 Cb -0.13 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 71.00 2jg4 s THR 380 CO -0.03 -0.26 1.69 -0.33 -0.54 0.00 0.00 174.62 175.15 2jg4 h GLU 381 N -1.36 0.19 -0.39 3.99 5.08 -1.89 -0.54 114.58 119.66 2jg4 h GLU 381 Ca -0.49 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2jg4 h GLU 381 Cb 1.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2jg4 h GLU 381 CO 0.59 0.13 0.23 0.93 -1.00 0.00 0.00 179.01 179.89 2jg4 h GLU 382 N 0.19 0.46 -0.48 2.33 4.39 -1.91 -2.68 114.58 116.88 2jg4 h GLU 382 Ca 0.30 -0.03 0.14 0.00 0.34 0.00 0.00 59.36 60.11 2jg4 h GLU 382 Cb 0.45 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2jg4 h GLU 382 CO -0.43 0.31 0.35 0.78 -1.16 0.00 0.00 179.01 178.86 2jg4 h GLY 383 N 0.48 0.00 1.81 -3.84 0.00 -1.29 -1.01 103.07 99.20 2jg4 h GLY 383 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 2jg4 h GLY 383 CO -0.07 0.00 -0.25 -2.00 0.00 0.00 0.00 176.54 174.22 2jg4 h LEU 384 N 0.00 0.23 -1.86 3.11 5.85 -0.86 -2.16 115.31 119.63 2jg4 h LEU 384 Ca 0.23 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jg4 h LEU 384 Cb 0.92 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2jg4 h LEU 384 CO -0.00 0.49 0.00 0.18 -0.34 0.00 0.00 178.44 178.76 2jg4 n LEU 385 N -4.17 2.74 -0.65 2.25 4.77 -0.39 -4.09 117.00 117.46 2jg4 n LEU 385 Ca -0.01 -1.37 0.02 0.00 -0.03 0.00 0.00 56.01 54.62 2jg4 n LEU 385 Cb 0.36 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2jg4 n LEU 385 CO 0.39 0.60 0.25 1.41 -1.33 0.00 0.00 177.39 178.72 2jg4 n HIS 386 N 0.79 0.00 -0.29 -1.77 8.25 -0.83 -4.89 115.22 116.49 2jg4 n HIS 386 Ca 0.16 -0.23 0.11 0.00 -0.26 0.00 0.00 57.72 57.49 2jg4 n HIS 386 Cb 0.47 -0.08 0.26 0.00 1.12 0.00 0.00 29.99 31.75 2jg4 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jg4 h VAL 387 N 6.14 0.44 -0.69 1.59 2.07 -1.66 -0.94 116.25 123.20 2jg4 h VAL 387 Ca -0.04 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2jg4 h VAL 387 Cb 1.44 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2jg4 h VAL 387 CO 0.02 0.06 0.43 -0.08 0.02 0.00 0.00 177.57 178.01 2jg4 h GLU 388 N 0.30 0.93 -0.47 1.57 4.81 -1.91 -1.23 114.58 118.58 2jg4 h GLU 388 Ca 0.51 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.53 2jg4 h GLU 388 Cb 0.96 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2jg4 h GLU 388 CO -0.56 0.65 -0.21 -0.44 -0.73 0.00 0.00 179.01 177.72 2jg4 h ASP 389 N 0.94 1.01 -0.31 1.04 3.32 -1.63 -1.93 116.42 118.86 2jg4 h ASP 389 Ca 0.25 -0.40 0.06 0.00 0.02 0.00 0.00 57.03 56.96 2jg4 h ASP 389 Cb -0.05 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.17 2jg4 h ASP 389 CO -0.05 1.18 -0.06 0.40 -1.72 0.00 0.00 179.24 178.99 2jg4 h ILE 390 N 0.83 0.71 -0.01 0.35 2.04 -0.77 0.62 117.51 121.28 2jg4 h ILE 390 Ca 0.11 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 2jg4 h ILE 390 Cb 0.79 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2jg4 h ILE 390 CO 0.07 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.27 2jg4 h ILE 391 N 0.02 1.26 -0.06 -0.67 2.04 -1.15 -0.31 117.51 118.63 2jg4 h ILE 391 Ca 0.15 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2jg4 h ILE 391 Cb 0.22 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2jg4 h ILE 391 CO -0.31 0.35 0.01 0.25 0.00 0.00 0.00 178.15 178.46 2jg4 h LEU 392 N 0.01 0.09 -1.11 1.44 5.85 -0.61 -1.20 115.31 119.78 2jg4 h LEU 392 Ca -0.00 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2jg4 h LEU 392 Cb 0.63 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2jg4 h LEU 392 CO 0.05 0.30 0.61 0.45 -0.34 0.00 0.00 178.44 179.50 2jg4 h HIS 393 N -0.12 1.09 -0.29 1.25 3.86 -0.32 0.29 115.15 120.92 2jg4 h HIS 393 Ca 0.02 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2jg4 h HIS 393 Cb 0.24 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 2jg4 h HIS 393 CO 0.00 0.58 0.03 0.52 0.86 0.00 0.00 177.93 179.93 2jg4 h MET 394 N 1.09 0.13 0.00 2.45 2.86 -0.80 0.02 114.93 120.67 2jg4 h MET 394 Ca 0.39 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.92 2jg4 h MET 394 Cb 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2jg4 h MET 394 CO -0.15 0.08 -0.52 0.74 1.06 0.00 0.00 176.91 178.13 2jg4 h PHE 395 N 0.13 0.00 -0.18 -0.22 -1.00 0.06 -1.86 116.94 113.87 2jg4 h PHE 395 Ca 0.13 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 2jg4 h PHE 395 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 2jg4 h PHE 395 CO -0.19 0.52 0.09 1.96 -1.61 0.00 0.00 178.31 179.09 2jg4 h GLN 396 N 0.00 0.25 -0.26 1.51 4.20 -0.08 -0.07 115.11 120.66 2jg4 h GLN 396 Ca -0.01 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2jg4 h GLN 396 Cb 0.98 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 2jg4 h GLN 396 CO 0.07 0.25 0.14 -0.92 -0.67 0.00 0.00 178.83 177.70 2jg4 h TYR 397 N 0.18 0.27 -0.95 2.96 3.20 -0.68 -0.41 116.97 121.54 2jg4 h TYR 397 Ca 0.06 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.05 2jg4 h TYR 397 Cb 0.08 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 2jg4 h TYR 397 CO -0.04 0.16 0.61 0.82 -1.64 0.00 0.00 178.16 178.07 2jg4 h ILE 398 N 0.30 0.95 -0.75 1.81 2.04 -1.28 -1.33 117.51 119.27 2jg4 h ILE 398 Ca 0.10 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2jg4 h ILE 398 Cb 0.01 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 35.98 2jg4 h ILE 398 CO -0.06 0.17 0.25 -0.61 0.00 0.00 0.00 178.15 177.91 2jg4 h GLN 399 N 0.95 1.15 -0.94 2.37 5.75 -0.00 -1.58 115.11 122.81 2jg4 h GLN 399 Ca 0.45 -0.23 0.08 0.00 -0.15 0.00 0.00 58.65 58.79 2jg4 h GLN 399 Cb 0.43 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 2jg4 h GLN 399 CO -0.21 0.96 0.59 -0.22 -2.65 0.00 0.00 178.83 177.30 2jg4 h LYS 400 N 1.11 1.00 -0.61 1.69 1.63 -0.01 0.25 116.57 121.63 2jg4 h LYS 400 Ca 0.24 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 2jg4 h LYS 400 Cb 0.28 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2jg4 h LYS 400 CO -0.01 0.66 0.04 -0.07 -3.45 0.00 0.00 179.45 176.62 2jg4 h LEU 401 N 1.03 1.02 0.25 5.20 3.38 -0.59 -0.85 115.31 124.74 2jg4 h LEU 401 Ca 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2jg4 h LEU 401 Cb 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2jg4 h LEU 401 CO -0.20 1.05 -0.12 0.03 0.09 0.00 0.00 178.44 179.29 2jg4 h ARG 402 N 0.97 -0.32 -0.97 1.13 3.08 -0.60 -1.67 114.38 116.00 2jg4 h ARG 402 Ca 0.18 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.40 2jg4 h ARG 402 Cb 0.51 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.54 2jg4 h ARG 402 CO 0.02 -0.17 0.61 0.00 -1.07 0.00 0.00 179.97 179.36 2jg4 h ALA 403 N 0.37 1.66 0.00 0.04 0.00 -0.22 -2.31 119.26 118.79 2jg4 h ALA 403 Ca -0.03 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2jg4 h ALA 403 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jg4 h ALA 403 CO 0.06 0.07 -0.75 0.93 0.00 0.00 0.00 179.25 179.55 2jg4 h GLU 404 N 0.85 0.00 -2.30 0.00 4.39 -1.10 -3.51 114.58 112.91 2jg4 h GLU 404 Ca 0.50 0.00 0.24 0.00 0.34 0.00 0.00 59.36 60.44 2jg4 h GLU 404 Cb 0.66 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.19 2jg4 h GLU 404 CO -0.27 0.72 -0.78 0.41 -1.16 0.00 0.00 179.01 177.93 2jg4 n GLY 405 N 1.29 -2.94 3.77 -3.84 0.00 -0.64 -4.89 105.19 97.94 2jg4 n GLY 405 Ca 0.01 -1.20 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 2jg4 n GLY 405 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jg4 s PRO 406 N -3.58 3.84 -0.34 1.61 0.04 -1.26 -4.96 135.00 130.35 2jg4 s PRO 406 Ca 0.00 2.43 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 2jg4 s PRO 406 Cb 0.00 -2.76 0.06 0.00 0.04 0.00 0.00 34.50 31.84 2jg4 s PRO 406 CO 0.00 -0.70 0.08 -0.65 0.04 0.00 0.00 177.00 175.77 2jg4 s GLN 407 N -2.32 2.41 0.38 4.56 -1.52 -1.26 -4.98 119.66 116.92 2jg4 s GLN 407 Ca 0.58 -1.35 0.07 0.00 -1.95 0.00 0.00 55.36 52.71 2jg4 s GLN 407 Cb -0.44 -3.36 0.79 0.00 -0.22 0.00 0.00 33.01 29.77 2jg4 s GLN 407 CO 0.57 -0.73 1.97 1.49 -0.25 0.00 0.00 175.29 178.34 2jg4 h GLU 408 N 8.09 0.67 -0.43 2.91 4.81 -2.00 -1.44 114.58 127.20 2jg4 h GLU 408 Ca -0.20 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2jg4 h GLU 408 Cb 1.07 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 2jg4 h GLU 408 CO 0.59 0.45 0.07 0.11 -0.73 0.00 0.00 179.01 179.50 2jg4 h TRP 409 N 0.69 0.68 -0.31 0.92 5.08 -1.98 0.17 115.95 121.21 2jg4 h TRP 409 Ca 0.29 -0.06 -0.02 0.00 1.08 0.00 0.00 58.89 60.17 2jg4 h TRP 409 Cb 0.26 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.21 2jg4 h TRP 409 CO -0.00 0.61 0.09 0.28 -1.28 0.00 0.00 178.44 178.14 2jg4 h VAL 410 N 0.64 1.20 -0.16 0.12 2.07 -1.70 -0.41 116.25 118.02 2jg4 h VAL 410 Ca 0.14 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2jg4 h VAL 410 Cb 0.30 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2jg4 h VAL 410 CO 0.00 0.22 0.04 0.15 0.02 0.00 0.00 177.57 178.00 2jg4 h PHE 411 N 0.34 0.07 -0.99 1.57 3.57 -1.12 -1.81 116.94 118.56 2jg4 h PHE 411 Ca 0.10 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.68 2jg4 h PHE 411 Cb 0.25 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 2jg4 h PHE 411 CO 0.01 0.03 0.64 0.37 -2.23 0.00 0.00 178.31 177.13 2jg4 h GLN 412 N 0.11 1.11 0.01 1.11 -0.00 -0.50 0.13 115.11 117.08 2jg4 h GLN 412 Ca 0.07 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jg4 h GLN 412 Cb 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 27.48 27.28 2jg4 h GLN 412 CO -0.08 0.73 -0.01 1.49 0.00 0.00 0.00 178.83 180.97 2jg4 h GLU 413 N 1.14 -0.02 -0.56 1.69 4.81 -0.79 -1.48 114.58 119.38 2jg4 h GLU 413 Ca 0.43 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.72 2jg4 h GLU 413 Cb 0.20 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2jg4 h GLU 413 CO -0.18 0.32 0.27 0.00 -0.73 0.00 0.00 179.01 178.70 2jg4 h LYS 415 N 0.52 0.71 -0.09 0.00 3.11 -0.69 0.14 116.57 120.27 2jg4 h LYS 415 Ca 0.25 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 58.02 2jg4 h LYS 415 Cb 0.19 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.25 2jg4 h LYS 415 CO -0.19 0.47 -0.05 -0.44 -2.81 0.00 0.00 179.45 176.43 2jg4 h ASP 416 N 0.73 0.21 -0.44 4.20 5.19 -0.82 -0.81 116.42 124.68 2jg4 h ASP 416 Ca 0.31 -0.42 0.07 0.00 -0.62 0.00 0.00 57.03 56.37 2jg4 h ASP 416 Cb 0.19 -0.06 -0.06 0.00 0.18 0.00 0.00 39.33 39.58 2jg4 h ASP 416 CO -0.18 0.59 0.08 -0.07 -3.12 0.00 0.00 179.24 176.54 2jg4 h LEU 417 N -0.17 -0.00 -0.91 1.55 4.07 -0.90 -0.95 115.31 117.99 2jg4 h LEU 417 Ca 0.02 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2jg4 h LEU 417 Cb 0.51 0.11 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 2jg4 h LEU 417 CO 0.01 0.03 0.48 0.78 -1.08 0.00 0.00 178.44 178.67 2jg4 h ASN 418 N 0.22 1.12 -0.76 -0.43 4.21 -0.68 0.17 115.58 119.43 2jg4 h ASN 418 Ca 0.22 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.61 2jg4 h ASN 418 Cb 0.27 -0.29 -0.04 0.00 -1.12 0.00 0.00 38.32 37.15 2jg4 h ASN 418 CO -0.28 0.90 0.41 0.00 -1.29 0.00 0.00 177.43 177.17 2jg4 h ALA 419 N 1.27 0.97 -0.11 -0.83 0.00 -0.54 -0.29 119.26 119.73 2jg4 h ALA 419 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2jg4 h ALA 419 Cb 0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2jg4 h ALA 419 CO -0.05 0.49 -0.11 0.28 0.00 0.00 0.00 179.25 179.85 2jg4 h VAL 420 N 1.05 1.36 -0.99 0.00 2.07 -0.72 -1.48 116.25 117.55 2jg4 h VAL 420 Ca 0.27 -1.28 0.14 0.00 0.82 0.00 0.00 66.70 66.64 2jg4 h VAL 420 Cb 0.04 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 2jg4 h VAL 420 CO -0.04 0.37 0.61 0.00 0.02 0.00 0.00 177.57 178.52 2jg4 h ALA 421 N 0.58 1.52 -0.02 1.67 0.00 -0.46 -1.15 119.26 121.39 2jg4 h ALA 421 Ca 0.02 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2jg4 h ALA 421 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2jg4 h ALA 421 CO 0.03 0.14 -0.19 0.35 0.00 0.00 0.00 179.25 179.58 2jg4 h PHE 422 N 0.91 0.24 -0.51 0.00 3.57 -0.90 -1.46 116.94 118.78 2jg4 h PHE 422 Ca 0.51 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 62.00 2jg4 h PHE 422 Cb 0.59 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.19 2jg4 h PHE 422 CO -0.01 0.85 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.62 2jg4 h ARG 423 N -0.45 -0.09 -0.56 1.11 2.43 -0.98 -2.95 114.38 112.88 2jg4 h ARG 423 Ca -0.02 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 2jg4 h ARG 423 Cb 0.89 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.37 2jg4 h ARG 423 CO 0.04 -0.06 0.15 1.19 -1.51 0.00 0.00 179.97 179.77 2jg4 n PHE 424 N -5.41 1.87 -1.72 2.20 3.01 -0.46 -4.51 117.46 112.44 2jg4 n PHE 424 Ca 0.04 -1.18 -0.43 0.00 1.01 0.00 0.00 57.45 56.90 2jg4 n PHE 424 Cb 0.32 -0.56 -0.02 0.00 -0.01 0.00 0.00 39.48 39.21 2jg4 n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2jg4 n LYS 425 N -0.39 2.41 -1.81 -1.08 4.81 -0.55 -4.95 118.16 116.60 2jg4 n LYS 425 Ca 0.35 0.85 -0.40 0.00 -0.87 0.00 0.00 58.31 58.24 2jg4 n LYS 425 Cb 1.21 -2.56 0.02 0.00 0.02 0.00 0.00 35.03 33.72 2jg4 n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jg4 s ASP 426 N 0.23 5.91 0.10 3.14 1.01 -1.26 -4.95 116.67 120.85 2jg4 s ASP 426 Ca 0.63 2.91 -0.31 0.00 0.71 0.00 0.00 52.55 56.48 2jg4 s ASP 426 Cb -0.55 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 40.63 2jg4 s ASP 426 CO 0.53 -1.15 1.70 -0.75 0.21 0.00 0.00 175.17 175.71 2jg4 s LYS 427 N -2.43 4.18 0.52 8.23 2.20 -1.26 -4.99 119.74 126.19 2jg4 s LYS 427 Ca 0.60 2.43 -0.17 0.00 -0.36 0.00 0.00 55.97 58.47 2jg4 s LYS 427 Cb -0.43 -3.53 -0.07 0.00 -1.51 0.00 0.00 37.83 32.28 2jg4 s LYS 427 CO 0.56 -0.76 1.00 -1.21 -0.36 0.00 0.00 175.35 174.59 2jg4 s GLU 428 N 2.45 3.83 0.25 4.03 8.01 -1.26 -4.40 118.70 131.62 2jg4 s GLU 428 Ca 0.76 1.07 -0.30 0.00 0.01 0.00 0.00 54.97 56.51 2jg4 s GLU 428 Cb -0.43 -2.11 -0.09 0.00 -4.31 0.00 0.00 34.13 27.19 2jg4 s GLU 428 CO 0.33 -0.37 1.31 1.03 0.01 0.00 0.00 175.26 177.57 2jg4 s ARG 429 N -3.86 4.39 0.26 1.61 0.52 -1.26 -4.93 118.95 115.67 2jg4 s ARG 429 Ca 0.61 2.11 -0.03 0.00 -0.52 0.00 0.00 55.73 57.90 2jg4 s ARG 429 Cb -0.12 -3.15 0.53 0.00 0.52 0.00 0.00 34.95 32.74 2jg4 s ARG 429 CO 0.29 -0.22 1.68 -1.35 0.02 0.00 0.00 175.30 175.72 2jg4 h PRO 430 N 4.63 0.26 -0.55 3.54 0.11 -1.96 -2.48 132.00 135.54 2jg4 h PRO 430 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 2jg4 h PRO 430 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2jg4 h PRO 430 CO 0.73 0.17 0.13 -0.09 -0.21 0.00 0.00 178.00 178.73 2jg4 h ARG 431 N 0.27 0.89 -0.47 1.05 2.43 -1.90 0.16 114.38 116.80 2jg4 h ARG 431 Ca 0.46 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2jg4 h ARG 431 Cb 0.82 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2jg4 h ARG 431 CO -0.55 0.83 -0.06 0.78 -1.51 0.00 0.00 179.97 179.47 2jg4 h GLY 432 N 0.78 0.88 0.49 2.80 0.00 -1.91 -2.81 103.07 103.30 2jg4 h GLY 432 Ca 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jg4 h GLY 432 CO 0.00 0.58 -0.05 -1.82 0.00 0.00 0.00 176.54 175.26 2jg4 h TYR 433 N 0.74 -0.12 -0.78 5.60 3.20 -0.93 -1.25 116.97 123.43 2jg4 h TYR 433 Ca 0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2jg4 h TYR 433 Cb 0.54 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2jg4 h TYR 433 CO 0.03 0.34 0.45 1.79 -1.64 0.00 0.00 178.16 179.13 2jg4 h THR 434 N -0.64 1.23 -0.17 1.81 1.35 -1.09 0.05 112.91 115.44 2jg4 h THR 434 Ca -0.01 -0.53 0.03 0.00 -0.55 0.00 0.00 66.41 65.35 2jg4 h THR 434 Cb 0.51 0.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.07 2jg4 h THR 434 CO 0.02 0.24 -0.04 -1.28 -0.25 0.00 0.00 175.52 174.21 2jg4 h SER 435 N 1.07 -0.16 -0.35 5.36 0.87 -1.43 -0.24 113.55 118.67 2jg4 h SER 435 Ca 0.28 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2jg4 h SER 435 Cb -0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2jg4 h SER 435 CO -0.05 -0.06 0.21 0.50 -0.53 0.00 0.00 176.83 176.90 2jg4 h LYS 436 N -0.00 0.48 -0.35 2.24 1.63 -0.80 -2.70 116.57 117.07 2jg4 h LYS 436 Ca 0.08 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.72 2jg4 h LYS 436 Cb 0.12 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2jg4 h LYS 436 CO -0.17 0.37 -0.21 0.82 -3.45 0.00 0.00 179.45 176.81 2jg4 h ILE 437 N 0.45 1.29 -0.86 2.00 2.04 -0.80 -1.68 117.51 119.95 2jg4 h ILE 437 Ca 0.13 -1.35 0.16 0.00 1.00 0.00 0.00 64.86 64.79 2jg4 h ILE 437 Cb 0.02 1.41 -0.10 0.00 -0.74 0.00 0.00 36.82 37.41 2jg4 h ILE 437 CO -0.02 0.44 0.44 0.00 0.00 0.00 0.00 178.15 179.01 2jg4 h ALA 438 N 0.77 1.32 -0.30 1.87 0.00 -1.00 0.20 119.26 122.12 2jg4 h ALA 438 Ca 0.07 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2jg4 h ALA 438 Cb 0.77 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jg4 h ALA 438 CO 0.06 -0.12 -0.31 0.78 0.00 0.00 0.00 179.25 179.66 2jg4 h GLY 439 N 0.60 0.81 1.38 0.00 0.00 -1.19 -3.29 103.07 101.39 2jg4 h GLY 439 Ca 0.48 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2jg4 h GLY 439 CO -0.38 0.76 -0.35 0.29 0.00 0.00 0.00 176.54 176.85 2jg4 n ILE 440 N -4.22 0.13 0.17 2.60 -5.35 -0.66 -3.24 119.36 108.79 2jg4 n ILE 440 Ca -0.04 -0.08 0.17 0.00 -0.27 0.00 0.00 62.75 62.53 2jg4 n ILE 440 Cb 0.49 -0.10 0.79 0.00 -1.74 0.00 0.00 39.64 39.08 2jg4 n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2jg4 h LEU 441 N 0.00 0.00 -0.29 7.28 3.38 -0.70 -0.59 115.31 124.39 2jg4 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jg4 h LEU 441 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2jg4 h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 2jg4 n HIS 442 N -3.91 0.30 0.00 1.13 8.25 -1.20 -4.05 115.22 115.74 2jg4 n HIS 442 Ca 0.03 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 2jg4 n HIS 442 Cb 0.37 -0.69 -0.00 0.00 1.12 0.00 0.00 29.99 30.79 2jg4 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2jg4 n TYR 443 N -1.78 0.00 -4.12 4.41 4.02 -0.24 -5.07 117.16 114.39 2jg4 n TYR 443 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.77 2jg4 n TYR 443 Cb 0.17 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.38 2jg4 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2jg4 s TYR 444 N -1.88 0.89 0.61 -0.72 2.02 -1.19 -5.07 117.35 112.03 2jg4 s TYR 444 Ca -0.00 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 55.97 2jg4 s TYR 444 Cb 0.00 -0.51 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2jg4 s TYR 444 CO 0.00 -0.04 0.91 -2.30 -1.57 0.00 0.00 175.55 172.55 2jg4 n PRO 445 N 1.14 0.79 -0.22 -1.71 -0.02 -1.26 -4.77 135.00 128.94 2jg4 n PRO 445 Ca -0.20 0.31 -0.01 0.00 -2.02 0.00 0.00 63.50 61.58 2jg4 n PRO 445 Cb 0.56 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 2jg4 n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2jg4 h LEU 446 N 0.35 -0.76 -2.45 2.45 4.07 -1.99 -0.41 115.31 116.56 2jg4 h LEU 446 Ca -0.48 0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 2jg4 h LEU 446 Cb 1.37 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 2jg4 h LEU 446 CO 0.50 -0.25 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.27 2jg4 h GLU 447 N -0.04 0.00 -0.03 1.13 3.07 -1.86 -2.77 114.58 114.08 2jg4 h GLU 447 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2jg4 h GLU 447 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2jg4 h GLU 447 CO -0.70 0.01 -0.06 0.39 -1.40 0.00 0.00 179.01 177.25 2jg4 n GLU 448 N -3.81 2.14 -0.05 2.33 1.02 -0.18 -2.14 120.64 119.94 2jg4 n GLU 448 Ca -0.03 -1.75 0.08 0.00 -0.02 0.00 0.00 57.16 55.45 2jg4 n GLU 448 Cb 0.09 -1.46 0.46 0.00 -0.02 0.00 0.00 31.44 30.50 2jg4 n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2jg4 h VAL 449 N 4.26 1.00 0.05 2.62 -1.51 -1.30 0.27 116.25 121.63 2jg4 h VAL 449 Ca 0.00 -0.17 -0.22 0.00 -1.23 0.00 0.00 66.70 65.08 2jg4 h VAL 449 Cb 0.94 0.45 0.02 0.00 -2.13 0.00 0.00 31.29 30.57 2jg4 h VAL 449 CO 0.00 0.09 -0.89 -0.07 -1.23 0.00 0.00 177.57 175.47 2jg4 h LEU 450 N 0.50 0.69 0.00 4.19 4.07 -1.82 -3.37 115.31 119.56 2jg4 h LEU 450 Ca 0.22 -0.80 -0.16 0.00 0.08 0.00 0.00 57.88 57.22 2jg4 h LEU 450 Cb 0.26 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 2jg4 h LEU 450 CO -0.06 1.41 -1.38 0.71 -1.08 0.00 0.00 178.44 178.04 2jg4 h THR 451 N 0.05 0.47 -0.91 0.22 1.35 -1.59 -3.41 112.91 109.09 2jg4 h THR 451 Ca -0.13 -1.94 0.20 0.00 -0.55 0.00 0.00 66.41 63.99 2jg4 h THR 451 Cb 1.60 2.01 -0.07 0.00 -1.73 0.00 0.00 68.15 69.96 2jg4 h THR 451 CO 0.17 0.27 0.60 0.00 -0.25 0.00 0.00 175.52 176.31 2jg4 h ALA 452 N 1.45 2.14 -0.00 6.62 0.00 -0.66 0.25 119.26 129.06 2jg4 h ALA 452 Ca -0.15 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jg4 h ALA 452 Cb 1.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jg4 h ALA 452 CO 0.04 -0.42 -0.22 0.39 0.00 0.00 0.00 179.25 179.04 2jg4 n GLU 453 N -4.53 0.12 -0.06 0.00 1.02 -1.26 -4.40 120.64 111.53 2jg4 n GLU 453 Ca 0.19 -0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.20 2jg4 n GLU 453 Cb 0.67 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 2jg4 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jg4 n TYR 454 N -1.40 0.00 -2.77 -0.32 4.01 0.74 -5.00 117.16 112.42 2jg4 n TYR 454 Ca 0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.40 2jg4 n TYR 454 Cb 0.33 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 2jg4 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jg4 s LEU 455 N -7.51 4.18 0.15 7.72 1.43 -0.33 -4.66 118.68 119.66 2jg4 s LEU 455 Ca -0.22 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 2jg4 s LEU 455 Cb 0.05 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.80 2jg4 s LEU 455 CO 0.31 -0.48 0.47 -0.76 0.23 0.00 0.00 176.35 176.13 2jg4 s LEU 456 N 2.37 4.27 0.00 1.79 1.43 -1.26 -4.84 118.68 122.44 2jg4 s LEU 456 Ca 0.43 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2jg4 s LEU 456 Cb -0.17 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2jg4 s LEU 456 CO 0.12 0.06 0.00 -0.62 0.23 0.00 0.00 176.35 176.14 2jg4 n GLU 457 N 0.41 1.43 -4.61 1.70 1.02 0.45 -5.02 120.64 116.01 2jg4 n GLU 457 Ca -0.04 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 2jg4 n GLU 457 Cb 0.52 -0.79 -0.14 0.00 -0.02 0.00 0.00 31.44 31.01 2jg4 n GLU 457 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2jg4 s GLU 458 N -1.57 3.37 -0.08 3.49 2.02 -0.90 -5.05 118.70 119.99 2jg4 s GLU 458 Ca 0.00 -0.68 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 2jg4 s GLU 458 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 2jg4 s GLU 458 CO 0.00 0.13 0.83 0.12 0.02 0.00 0.00 175.26 176.36 2jg4 s PHE 459 N 0.56 3.55 -0.47 1.61 5.36 -1.26 -4.34 117.98 122.99 2jg4 s PHE 459 Ca -0.08 1.39 0.08 0.00 -0.96 0.00 0.00 56.93 57.36 2jg4 s PHE 459 Cb -0.15 -2.97 0.26 0.00 -0.34 0.00 0.00 43.02 39.82 2jg4 s PHE 459 CO 0.03 -0.04 0.62 0.54 -1.46 0.00 0.00 175.22 174.91 2jg4 n ARG 460 N 4.27 1.37 -0.13 10.12 5.12 -1.26 -4.93 116.66 131.23 2jg4 n ARG 460 Ca 0.03 -3.73 0.13 0.00 -1.93 0.00 0.00 57.85 52.34 2jg4 n ARG 460 Cb 0.50 -1.60 0.49 0.00 -1.16 0.00 0.00 32.46 30.70 2jg4 n ARG 460 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2jg4 h PRO 461 N 3.96 0.43 -0.20 5.56 0.13 -1.96 -1.88 132.00 138.04 2jg4 h PRO 461 Ca 0.11 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2jg4 h PRO 461 Cb 0.81 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 2jg4 h PRO 461 CO 0.59 0.29 0.07 0.38 -0.23 0.00 0.00 178.00 179.09 2jg4 h ASP 462 N 0.44 0.08 -0.18 1.44 -0.00 -1.99 -1.55 116.42 114.66 2jg4 h ASP 462 Ca 0.32 0.02 -0.13 0.00 -0.00 0.00 0.00 57.03 57.24 2jg4 h ASP 462 Cb 0.65 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.98 2jg4 h ASP 462 CO -0.10 0.07 -0.34 -0.07 -0.00 0.00 0.00 179.24 178.80 2jg4 h LEU 463 N 0.16 0.72 -0.62 0.15 3.38 -1.82 -0.49 115.31 116.79 2jg4 h LEU 463 Ca 0.09 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2jg4 h LEU 463 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jg4 h LEU 463 CO -0.09 1.00 0.32 0.40 0.09 0.00 0.00 178.44 180.17 2jg4 h ILE 464 N 0.58 1.21 -0.15 1.22 2.04 -1.15 -1.06 117.51 120.20 2jg4 h ILE 464 Ca 0.06 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 2jg4 h ILE 464 Cb 0.86 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2jg4 h ILE 464 CO 0.07 0.23 -0.59 -0.33 0.00 0.00 0.00 178.15 177.54 2jg4 h GLU 465 N 0.85 0.49 -0.78 2.37 5.08 -1.15 -1.53 114.58 119.90 2jg4 h GLU 465 Ca 0.22 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jg4 h GLU 465 Cb 0.08 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2jg4 h GLU 465 CO -0.03 0.93 0.49 1.98 -1.00 0.00 0.00 179.01 181.38 2jg4 h MET 466 N 0.36 1.05 -0.09 2.33 4.05 -0.70 0.27 114.93 122.21 2jg4 h MET 466 Ca -0.00 -0.08 -0.12 0.00 -0.28 0.00 0.00 59.70 59.22 2jg4 h MET 466 Cb 1.13 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2jg4 h MET 466 CO 0.11 0.72 -0.41 0.28 0.23 0.00 0.00 176.91 177.84 2jg4 h VAL 467 N 1.06 1.39 -0.68 -5.77 2.07 -1.18 -3.10 116.25 110.04 2jg4 h VAL 467 Ca 0.28 -1.77 0.11 0.00 0.82 0.00 0.00 66.70 66.14 2jg4 h VAL 467 Cb -0.07 2.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2jg4 h VAL 467 CO -0.06 0.52 0.45 0.25 0.02 0.00 0.00 177.57 178.76 2jg4 h LEU 468 N -0.01 0.43 -0.10 2.57 5.85 -1.12 0.01 115.31 122.94 2jg4 h LEU 468 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jg4 h LEU 468 Cb 1.06 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2jg4 h LEU 468 CO 0.09 0.25 0.00 -0.67 -0.34 0.00 0.00 178.44 177.76 2jg4 n ASP 469 N -4.48 0.08 0.00 1.25 2.03 0.07 -2.19 116.55 113.31 2jg4 n ASP 469 Ca 0.12 0.52 0.11 0.00 0.52 0.00 0.00 54.79 56.06 2jg4 n ASP 469 Cb 0.41 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 2jg4 n ASP 469 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jg4 n LYS 470 N -1.59 0.04 -2.48 -0.67 4.76 -0.01 -4.59 118.16 113.62 2jg4 n LYS 470 Ca 0.03 -0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.04 2jg4 n LYS 470 Cb 0.15 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 31.84 2jg4 n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2jg4 n LEU 471 N -1.55 6.81 -4.20 -0.35 4.77 -0.93 -4.81 117.00 116.74 2jg4 n LEU 471 Ca 0.04 -4.86 -0.20 0.00 -0.03 0.00 0.00 56.01 50.96 2jg4 n LEU 471 Cb 0.35 -1.40 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2jg4 n LEU 471 CO 0.40 1.58 -0.48 -0.13 -1.33 0.00 0.00 177.39 177.43 2jg4 s ARG 472 N -0.85 0.95 0.49 3.23 0.52 -1.26 -5.03 118.95 116.99 2jg4 s ARG 472 Ca 0.39 -0.97 0.19 0.00 -0.52 0.00 0.00 55.73 54.82 2jg4 s ARG 472 Cb 0.10 -1.03 1.21 0.00 0.52 0.00 0.00 34.95 35.75 2jg4 s ARG 472 CO 0.01 0.24 2.02 -1.35 0.02 0.00 0.00 175.30 176.24 2jg4 h PRO 473 N 4.39 0.17 0.00 3.54 0.11 -1.91 0.28 132.00 138.58 2jg4 h PRO 473 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jg4 h PRO 473 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jg4 h PRO 473 CO 0.41 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.46 2jg4 n GLU 474 N -4.45 0.07 -0.30 1.05 0.00 -1.26 -2.26 120.64 113.49 2jg4 n GLU 474 Ca 0.07 0.23 0.08 0.00 0.00 0.00 0.00 57.16 57.55 2jg4 n GLU 474 Cb 0.41 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.55 2jg4 n GLU 474 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2jg4 n ASN 475 N -1.42 2.97 -4.91 -1.84 3.02 0.08 -4.52 115.26 108.65 2jg4 n ASN 475 Ca 0.04 -3.15 -0.30 0.00 -0.03 0.00 0.00 54.58 51.15 2jg4 n ASN 475 Cb 0.14 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 2jg4 n ASN 475 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jg4 s VAL 476 N -2.90 5.16 -0.04 2.41 0.11 -0.96 -4.25 120.40 119.93 2jg4 s VAL 476 Ca 0.37 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2jg4 s VAL 476 Cb 0.32 -3.67 0.01 0.00 -1.53 0.00 0.00 36.38 31.50 2jg4 s VAL 476 CO 0.05 -0.08 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.50 2jg4 s ARG 477 N -2.99 1.32 -0.08 1.54 0.52 -0.32 -0.37 118.95 118.57 2jg4 s ARG 477 Ca 0.40 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 2jg4 s ARG 477 Cb -0.12 -1.16 0.01 0.00 0.52 0.00 0.00 34.95 34.20 2jg4 s ARG 477 CO 0.27 0.09 -0.13 0.08 0.02 0.00 0.00 175.30 175.63 2jg4 s VAL 478 N 0.38 1.25 -0.10 3.52 1.01 -0.52 -1.41 120.40 124.53 2jg4 s VAL 478 Ca -0.08 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2jg4 s VAL 478 Cb -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.14 2jg4 s VAL 478 CO 0.02 0.38 -0.14 0.00 0.00 0.00 0.00 175.10 175.36 2jg4 s ALA 479 N 0.73 1.55 -0.15 5.51 0.00 0.13 -0.08 121.76 129.45 2jg4 s ALA 479 Ca -0.13 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 2jg4 s ALA 479 Cb -0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2jg4 s ALA 479 CO 0.03 -0.06 -0.11 0.42 0.00 0.00 0.00 175.76 176.04 2jg4 s ILE 480 N 0.97 3.12 -0.27 0.00 1.01 0.36 0.10 121.20 126.49 2jg4 s ILE 480 Ca -0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2jg4 s ILE 480 Cb -0.15 -2.33 0.03 0.00 0.01 0.00 0.00 42.46 40.01 2jg4 s ILE 480 CO -0.01 0.51 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 2jg4 s VAL 481 N 0.57 3.21 -0.12 2.92 1.01 0.63 -0.64 120.40 127.98 2jg4 s VAL 481 Ca -0.07 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 2jg4 s VAL 481 Cb -0.15 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.60 2jg4 s VAL 481 CO 0.03 0.10 0.55 -0.55 0.00 0.00 0.00 175.10 175.23 2jg4 s SER 482 N 1.36 -0.53 0.56 3.32 0.15 -0.36 -1.61 113.70 116.60 2jg4 s SER 482 Ca -0.00 0.79 0.32 0.00 0.70 0.00 0.00 55.95 57.76 2jg4 s SER 482 Cb -0.17 0.79 1.66 0.00 -1.71 0.00 0.00 66.02 66.59 2jg4 s SER 482 CO -0.02 -0.38 2.13 0.11 1.20 0.00 0.00 173.24 176.29 2jg4 h LYS 483 N 4.27 0.00 0.00 5.44 1.79 -1.83 -2.76 116.57 123.48 2jg4 h LYS 483 Ca -0.28 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2jg4 h LYS 483 Cb 1.16 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2jg4 h LYS 483 CO 0.27 0.07 -0.02 0.66 -1.08 0.00 0.00 179.45 179.35 2jg4 h SER 484 N 0.00 0.00 0.32 0.86 4.64 -1.95 0.11 113.55 117.53 2jg4 h SER 484 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jg4 h SER 484 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2jg4 h SER 484 CO 0.01 0.02 0.00 0.49 -0.87 0.00 0.00 176.83 176.48 2jg4 n PHE 485 N -3.28 0.00 -1.67 4.77 0.99 -1.04 -4.82 117.46 112.41 2jg4 n PHE 485 Ca -0.02 0.00 -0.56 0.00 -0.00 0.00 0.00 57.45 56.87 2jg4 n PHE 485 Cb 0.14 -0.17 -0.07 0.00 -1.00 0.00 0.00 39.48 38.38 2jg4 n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2jg4 n GLU 486 N -1.17 1.14 0.00 -1.08 4.07 0.39 -1.06 120.64 122.93 2jg4 n GLU 486 Ca 0.17 0.42 0.00 0.00 -0.06 0.00 0.00 57.16 57.69 2jg4 n GLU 486 Cb 0.18 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.47 2jg4 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jg4 n GLY 487 N 3.65 2.80 1.53 8.31 0.00 -1.26 -4.85 105.19 115.38 2jg4 n GLY 487 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2jg4 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jg4 n LYS 488 N -2.00 4.19 -4.20 1.61 5.02 -0.23 -4.99 118.16 117.56 2jg4 n LYS 488 Ca 0.00 -3.05 -0.26 0.00 -2.02 0.00 0.00 58.31 52.98 2jg4 n LYS 488 Cb 0.00 -2.11 -0.08 0.00 -0.02 0.00 0.00 35.03 32.82 2jg4 n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jg4 s THR 489 N -2.77 3.77 -0.01 -0.18 -4.23 -1.24 -4.89 115.64 106.09 2jg4 s THR 489 Ca 0.50 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 2jg4 s THR 489 Cb 0.39 -2.90 0.02 0.00 1.34 0.00 0.00 72.50 71.34 2jg4 s THR 489 CO 0.14 -0.12 0.81 -0.90 -0.54 0.00 0.00 174.62 174.01 2jg4 n ASP 490 N -0.16 1.14 -4.16 3.99 5.68 -1.15 -4.95 116.55 116.94 2jg4 n ASP 490 Ca -0.09 -1.67 -0.18 0.00 -0.50 0.00 0.00 54.79 52.34 2jg4 n ASP 490 Cb 0.55 -0.04 -0.12 0.00 -1.14 0.00 0.00 41.12 40.37 2jg4 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2jg4 s ARG 491 N -0.67 0.81 -0.08 0.11 1.81 -0.30 -5.03 118.95 115.60 2jg4 s ARG 491 Ca 0.02 -0.91 -0.00 0.00 -1.72 0.00 0.00 55.73 53.12 2jg4 s ARG 491 Cb 0.02 -0.80 0.02 0.00 -0.45 0.00 0.00 34.95 33.74 2jg4 s ARG 491 CO 0.00 0.18 -0.05 0.99 -0.68 0.00 0.00 175.30 175.74 2jg4 s THR 492 N -1.22 0.70 0.12 0.02 2.01 -1.26 -1.95 115.64 114.06 2jg4 s THR 492 Ca -0.02 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2jg4 s THR 492 Cb -0.10 -0.76 -0.07 0.00 0.01 0.00 0.00 72.50 71.58 2jg4 s THR 492 CO 0.02 0.30 1.23 -0.70 -0.69 0.00 0.00 174.62 174.78 2jg4 s GLU 493 N 1.54 4.44 0.11 4.92 -6.30 -0.53 -4.91 118.70 117.97 2jg4 s GLU 493 Ca -0.00 1.86 -0.26 0.00 -2.50 0.00 0.00 54.97 54.07 2jg4 s GLU 493 Cb -0.13 -3.29 -0.07 0.00 0.00 0.00 0.00 34.13 30.64 2jg4 s GLU 493 CO -0.04 -0.22 1.64 1.49 0.02 0.00 0.00 175.26 178.15 2jg4 h GLU 494 N 6.16 -0.41 0.00 4.30 4.81 -1.95 0.32 114.58 127.81 2jg4 h GLU 494 Ca -0.43 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 2jg4 h GLU 494 Cb 1.21 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 2jg4 h GLU 494 CO 0.79 -0.27 -0.39 -1.49 -0.73 0.00 0.00 179.01 176.92 2jg4 h TRP 495 N -0.43 0.00 0.00 0.92 4.06 -1.99 -3.36 115.95 115.16 2jg4 h TRP 495 Ca 0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 2jg4 h TRP 495 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2jg4 h TRP 495 CO -0.25 0.39 -1.05 0.66 -3.56 0.00 0.00 178.44 174.63 2jg4 n TYR 496 N -3.25 0.00 -0.45 0.49 4.02 -1.23 -5.01 117.16 111.73 2jg4 n TYR 496 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2jg4 n TYR 496 Cb 0.65 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.94 2jg4 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jg4 n GLY 497 N 2.70 0.75 3.68 2.72 0.00 0.10 -4.93 105.19 110.20 2jg4 n GLY 497 Ca -0.01 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 2jg4 n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jg4 n THR 498 N -2.45 0.43 -2.85 2.61 -1.04 -1.24 -4.59 114.28 105.15 2jg4 n THR 498 Ca 0.00 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2jg4 n THR 498 Cb 0.00 -1.99 -0.04 0.00 -1.82 0.00 0.00 70.33 66.48 2jg4 n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2jg4 s GLN 499 N 3.07 4.02 0.20 -2.82 -1.52 -1.26 -1.46 119.66 119.89 2jg4 s GLN 499 Ca 0.85 0.77 -0.08 0.00 -1.95 0.00 0.00 55.36 54.96 2jg4 s GLN 499 Cb -0.57 -3.72 -0.02 0.00 -0.22 0.00 0.00 33.01 28.49 2jg4 s GLN 499 CO 0.42 -0.72 0.30 1.52 -0.25 0.00 0.00 175.29 176.56 2jg4 s TYR 500 N 3.13 0.62 0.06 0.91 1.13 -0.82 -1.25 117.35 121.13 2jg4 s TYR 500 Ca 0.36 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 55.12 2jg4 s TYR 500 Cb -0.14 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.57 2jg4 s TYR 500 CO 0.12 -0.79 -0.10 0.21 -2.51 0.00 0.00 175.55 172.48 2jg4 s LYS 501 N -4.04 0.70 -0.07 -3.49 2.20 0.14 -1.14 119.74 114.03 2jg4 s LYS 501 Ca 0.25 -0.92 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 2jg4 s LYS 501 Cb 0.03 -0.52 0.01 0.00 -1.51 0.00 0.00 37.83 35.84 2jg4 s LYS 501 CO 0.07 0.10 -0.16 -1.14 -0.36 0.00 0.00 175.35 173.85 2jg4 s GLN 502 N -1.95 2.09 0.04 4.03 0.74 -1.26 -0.95 119.66 122.40 2jg4 s GLN 502 Ca -0.04 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.83 2jg4 s GLN 502 Cb -0.08 -1.68 -0.02 0.00 1.10 0.00 0.00 33.01 32.33 2jg4 s GLN 502 CO 0.01 0.10 -0.10 -1.21 -0.55 0.00 0.00 175.29 173.54 2jg4 s GLU 503 N 0.47 0.66 0.31 1.67 2.02 -0.82 -5.01 118.70 118.00 2jg4 s GLU 503 Ca -0.14 -0.69 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 2jg4 s GLU 503 Cb -0.16 -0.56 -0.10 0.00 0.10 0.00 0.00 34.13 33.42 2jg4 s GLU 503 CO 0.05 0.13 1.24 0.00 0.02 0.00 0.00 175.26 176.70 2jg4 s ALA 504 N -1.01 3.47 -0.06 5.21 0.00 -1.26 -0.30 121.76 127.81 2jg4 s ALA 504 Ca -0.04 1.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2jg4 s ALA 504 Cb -0.08 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2jg4 s ALA 504 CO 0.01 -0.48 1.31 0.42 0.00 0.00 0.00 175.76 177.01 2jg4 s ILE 505 N -1.07 4.04 -0.05 0.00 1.01 0.11 -4.76 121.20 120.48 2jg4 s ILE 505 Ca 0.48 1.36 -0.38 0.00 0.00 0.00 0.00 60.65 62.11 2jg4 s ILE 505 Cb -0.37 -3.88 -0.17 0.00 0.01 0.00 0.00 42.46 38.05 2jg4 s ILE 505 CO 0.48 -0.04 1.44 -2.65 0.00 0.00 0.00 174.94 174.18 2jg4 n PRO 506 N 5.69 1.01 0.18 2.79 -0.02 -1.26 -4.84 135.00 138.54 2jg4 n PRO 506 Ca 0.13 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 62.15 2jg4 n PRO 506 Cb 0.45 -2.00 0.81 0.00 -0.02 0.00 0.00 33.50 32.73 2jg4 n PRO 506 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2jg4 h ASP 507 N 5.20 0.00 0.46 2.55 3.32 -1.98 0.52 116.42 126.49 2jg4 h ASP 507 Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 2jg4 h ASP 507 Cb 1.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2jg4 h ASP 507 CO 0.83 0.00 -0.62 -0.08 -1.72 0.00 0.00 179.24 177.65 2jg4 h GLU 508 N 0.00 0.16 -0.13 3.56 4.81 -2.00 -2.27 114.58 118.71 2jg4 h GLU 508 Ca 0.11 -0.11 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2jg4 h GLU 508 Cb 0.70 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.10 2jg4 h GLU 508 CO -0.00 0.73 -0.53 0.28 -0.73 0.00 0.00 179.01 178.76 2jg4 h VAL 509 N 0.11 1.34 -0.43 0.32 2.07 -1.26 -1.95 116.25 116.46 2jg4 h VAL 509 Ca -0.01 -1.81 0.08 0.00 0.82 0.00 0.00 66.70 65.79 2jg4 h VAL 509 Cb 1.12 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 32.90 2jg4 h VAL 509 CO 0.09 0.55 -0.05 0.40 0.02 0.00 0.00 177.57 178.58 2jg4 h ILE 510 N 0.24 0.62 0.03 4.57 1.08 -1.49 -1.68 117.51 120.88 2jg4 h ILE 510 Ca -0.03 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2jg4 h ILE 510 Cb 1.16 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.45 2jg4 h ILE 510 CO 0.11 0.01 -0.12 0.11 -0.69 0.00 0.00 178.15 177.57 2jg4 h LYS 511 N 0.06 -0.21 -0.99 2.37 1.57 -1.34 0.57 116.57 118.59 2jg4 h LYS 511 Ca 0.21 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 59.20 2jg4 h LYS 511 Cb 0.32 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.57 2jg4 h LYS 511 CO -0.40 -0.14 0.59 0.87 -0.57 0.00 0.00 179.45 179.81 2jg4 h LYS 512 N -0.21 0.72 -0.27 3.15 1.57 -1.03 0.95 116.57 121.44 2jg4 h LYS 512 Ca 0.03 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2jg4 h LYS 512 Cb 0.25 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jg4 h LYS 512 CO -0.09 0.48 -0.46 -1.49 -0.57 0.00 0.00 179.45 177.32 2jg4 h TRP 513 N 0.74 0.86 0.00 -1.35 6.55 -0.68 -3.13 115.95 118.94 2jg4 h TRP 513 Ca 0.57 -0.27 -0.03 0.00 0.95 0.00 0.00 58.89 60.11 2jg4 h TRP 513 Cb 0.89 -0.17 -0.00 0.00 -0.86 0.00 0.00 29.16 29.01 2jg4 h TRP 513 CO -0.01 1.03 -0.16 1.96 -1.05 0.00 0.00 178.44 180.21 2jg4 h GLN 514 N 0.57 0.00 -0.61 0.49 4.20 0.14 -2.71 115.11 117.19 2jg4 h GLN 514 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jg4 h GLN 514 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2jg4 h GLN 514 CO 0.10 0.16 0.00 0.09 -0.67 0.00 0.00 178.83 178.50 2jg4 n ASN 515 N -3.40 5.40 -4.69 1.46 3.02 -0.41 -4.96 115.26 111.69 2jg4 n ASN 515 Ca -0.00 -2.82 -0.42 0.00 -0.03 0.00 0.00 54.58 51.31 2jg4 n ASN 515 Cb 0.35 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2jg4 n ASN 515 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jg4 s ALA 516 N -2.56 3.70 0.22 5.41 0.00 -1.02 -4.99 121.76 122.52 2jg4 s ALA 516 Ca 0.52 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.78 2jg4 s ALA 516 Cb 0.39 -3.72 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2jg4 s ALA 516 CO 0.17 -1.16 0.25 -3.47 0.00 0.00 0.00 175.76 171.55 2jg4 n ASP 517 N 5.69 1.21 -4.76 0.00 -0.08 -1.26 -4.84 116.55 112.51 2jg4 n ASP 517 Ca 0.16 -1.67 -0.41 0.00 -1.51 0.00 0.00 54.79 51.37 2jg4 n ASP 517 Cb 0.40 -0.10 -0.03 0.00 2.34 0.00 0.00 41.12 43.73 2jg4 n ASP 517 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2jg4 s LEU 518 N 0.00 4.47 -0.19 -2.67 1.43 -1.26 -4.70 118.68 115.76 2jg4 s LEU 518 Ca 0.19 2.50 -0.05 0.00 -1.03 0.00 0.00 54.13 55.74 2jg4 s LEU 518 Cb -0.01 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 2jg4 s LEU 518 CO 0.12 -0.39 -0.00 0.21 0.23 0.00 0.00 176.35 176.52 2jg4 s ASN 519 N -0.54 4.85 0.34 2.29 3.84 -1.26 -4.99 114.94 119.47 2jg4 s ASN 519 Ca 0.48 -0.18 0.23 0.00 0.21 0.00 0.00 52.86 53.60 2jg4 s ASN 519 Cb -0.36 -1.82 1.23 0.00 -0.55 0.00 0.00 41.25 39.75 2jg4 s ASN 519 CO 0.47 0.08 1.72 1.23 -2.79 0.00 0.00 177.10 177.81 2jg4 h GLY 520 N 7.34 0.00 2.00 1.21 0.00 -2.02 -2.03 103.07 109.57 2jg4 h GLY 520 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2jg4 h GLY 520 CO 0.62 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.66 2jg4 h LYS 521 N 0.00 0.00 -4.70 4.80 6.56 -1.95 -3.43 116.57 117.85 2jg4 h LYS 521 Ca 0.00 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.89 2jg4 h LYS 521 Cb 0.05 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 31.51 2jg4 h LYS 521 CO 0.00 0.00 -0.32 -0.06 -2.06 0.00 0.00 179.45 177.01 2jg4 s PHE 522 N -3.21 3.21 0.05 -1.35 2.99 -0.76 -4.53 117.98 114.38 2jg4 s PHE 522 Ca 0.08 -0.45 0.09 0.00 0.00 0.00 0.00 56.93 56.65 2jg4 s PHE 522 Cb 0.08 -2.73 -0.03 0.00 0.00 0.00 0.00 43.02 40.34 2jg4 s PHE 522 CO 0.62 -0.62 -0.24 0.15 -0.00 0.00 0.00 175.22 175.13 2jg4 s LYS 523 N 1.91 1.61 0.80 0.44 1.02 -0.70 -4.91 119.74 119.90 2jg4 s LYS 523 Ca 0.09 -1.08 -0.14 0.00 0.02 0.00 0.00 55.97 54.85 2jg4 s LYS 523 Cb -0.18 -1.80 0.05 0.00 -0.52 0.00 0.00 37.83 35.37 2jg4 s LYS 523 CO 0.12 0.46 0.95 1.28 -0.92 0.00 0.00 175.35 177.24 2jg4 n LEU 524 N 1.70 3.07 -4.78 3.17 4.32 -1.26 -4.20 117.00 119.02 2jg4 n LEU 524 Ca -0.17 0.57 -0.32 0.00 -0.02 0.00 0.00 56.01 56.06 2jg4 n LEU 524 Cb 0.52 -1.40 0.05 0.00 -1.62 0.00 0.00 43.42 40.97 2jg4 n LEU 524 CO 0.23 -2.24 0.72 -2.16 -1.22 0.00 0.00 177.39 172.72 2jg4 s PRO 525 N -3.70 2.76 0.57 3.23 0.04 -1.26 -4.93 135.00 131.70 2jg4 s PRO 525 Ca 0.70 1.26 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2jg4 s PRO 525 Cb -0.30 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.39 2jg4 s PRO 525 CO 0.54 -1.27 0.79 0.25 0.04 0.00 0.00 177.00 177.35 2jg4 n THR 526 N -2.72 0.00 -1.51 1.26 -2.24 -1.26 -5.02 114.28 102.79 2jg4 n THR 526 Ca 0.09 -1.50 -0.45 0.00 -2.27 0.00 0.00 64.05 59.92 2jg4 n THR 526 Cb 0.53 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 2jg4 n THR 526 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2jg4 n LYS 527 N -2.36 0.82 -2.87 -0.78 3.00 -1.26 -4.89 118.16 109.82 2jg4 n LYS 527 Ca 0.14 0.29 -0.43 0.00 -0.00 0.00 0.00 58.31 58.31 2jg4 n LYS 527 Cb 0.51 -1.54 -0.04 0.00 0.00 0.00 0.00 35.03 33.97 2jg4 n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2jg4 s ASN 528 N -0.75 6.23 0.29 3.14 3.84 -1.26 -4.90 114.94 121.52 2jg4 s ASN 528 Ca 0.61 -1.13 0.22 0.00 0.21 0.00 0.00 52.86 52.77 2jg4 s ASN 528 Cb -0.75 -2.41 1.07 0.00 -0.55 0.00 0.00 41.25 38.61 2jg4 s ASN 528 CO 0.58 -1.39 1.67 -0.62 -2.79 0.00 0.00 177.10 174.55 2jg4 n GLU 529 N 7.55 0.16 0.00 0.43 -0.58 -1.26 -2.55 120.64 124.39 2jg4 n GLU 529 Ca -0.01 0.55 0.13 0.00 -0.42 0.00 0.00 57.16 57.41 2jg4 n GLU 529 Cb 0.46 -1.92 0.44 0.00 -0.57 0.00 0.00 31.44 29.85 2jg4 n GLU 529 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2jg4 n PHE 530 N -2.24 0.00 -1.68 -0.32 3.01 -1.26 -4.87 117.46 110.10 2jg4 n PHE 530 Ca 0.00 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.96 2jg4 n PHE 530 Cb 0.11 -0.27 -0.05 0.00 -0.01 0.00 0.00 39.48 39.26 2jg4 n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2jg4 n ILE 531 N -1.24 0.46 -2.53 4.37 5.41 -1.06 -4.86 119.36 119.91 2jg4 n ILE 531 Ca 0.09 -0.08 -0.36 0.00 1.00 0.00 0.00 62.75 63.40 2jg4 n ILE 531 Cb 0.32 -1.69 -0.04 0.00 -0.71 0.00 0.00 39.64 37.52 2jg4 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2jg4 s PRO 532 N 3.58 4.01 0.00 0.38 0.04 -1.26 -4.94 135.00 136.81 2jg4 s PRO 532 Ca 0.92 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2jg4 s PRO 532 Cb -0.77 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2jg4 s PRO 532 CO 0.53 -0.27 0.00 0.25 0.04 0.00 0.00 177.00 177.55 2jg4 n THR 533 N -0.43 0.00 -3.36 1.26 -2.24 -1.26 -5.01 114.28 103.24 2jg4 n THR 533 Ca 0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.43 2jg4 n THR 533 Cb 0.51 0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 68.94 2jg4 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2jg4 s ASN 534 N -1.21 6.19 0.00 3.42 3.84 -1.26 -4.89 114.94 121.02 2jg4 s ASN 534 Ca 0.00 -0.42 0.02 0.00 0.21 0.00 0.00 52.86 52.66 2jg4 s ASN 534 Cb 0.00 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.53 2jg4 s ASN 534 CO 0.00 -0.45 0.99 0.49 -2.79 0.00 0.00 177.10 175.34 2jg4 n PHE 535 N 5.49 0.06 -1.90 0.43 3.01 -1.26 -4.45 117.46 118.84 2jg4 n PHE 535 Ca -0.08 -0.45 -0.42 0.00 1.01 0.00 0.00 57.45 57.51 2jg4 n PHE 535 Cb 0.48 -0.04 -0.03 0.00 -0.01 0.00 0.00 39.48 39.88 2jg4 n PHE 535 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2jg4 s GLU 536 N -0.92 4.20 -0.26 -1.08 -1.05 -1.26 -4.66 118.70 113.67 2jg4 s GLU 536 Ca 0.03 2.41 -0.26 0.00 -0.15 0.00 0.00 54.97 57.01 2jg4 s GLU 536 Cb 0.02 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2jg4 s GLU 536 CO 0.02 -0.60 0.90 0.42 0.95 0.00 0.00 175.26 176.95 2jg4 s ILE 537 N 0.80 4.75 0.36 1.83 -1.09 -1.26 -4.94 121.20 121.66 2jg4 s ILE 537 Ca 0.68 1.64 -0.28 0.00 -2.23 0.00 0.00 60.65 60.45 2jg4 s ILE 537 Cb -0.45 -4.20 -0.11 0.00 -1.58 0.00 0.00 42.46 36.12 2jg4 s ILE 537 CO 0.35 -0.17 1.51 -0.76 -1.23 0.00 0.00 174.94 174.64 2jg4 s LEU 538 N 3.04 4.32 0.50 2.97 1.43 -1.26 -4.94 118.68 124.74 2jg4 s LEU 538 Ca 0.38 3.03 -0.23 0.00 -1.03 0.00 0.00 54.13 56.28 2jg4 s LEU 538 Cb -0.15 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 2jg4 s LEU 538 CO 0.09 -0.88 1.39 -2.16 0.23 0.00 0.00 176.35 175.02 2jg4 s PRO 539 N -1.80 3.40 -0.33 1.29 0.04 -1.26 -4.88 135.00 131.47 2jg4 s PRO 539 Ca 0.55 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.62 2jg4 s PRO 539 Cb -0.47 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 2jg4 s PRO 539 CO 0.60 -1.01 1.75 -1.17 0.04 0.00 0.00 177.00 177.22 2jg4 s LEU 540 N -3.14 3.54 0.72 -3.56 2.96 -1.26 -4.95 118.68 112.99 2jg4 s LEU 540 Ca 0.66 1.30 -0.16 0.00 -0.22 0.00 0.00 54.13 55.71 2jg4 s LEU 540 Cb -0.42 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 2jg4 s LEU 540 CO 0.52 -1.65 0.69 -0.62 -1.32 0.00 0.00 176.35 173.97 2jg4 n GLU 541 N 8.34 0.37 -0.03 1.98 1.02 -1.26 -4.94 120.64 126.11 2jg4 n GLU 541 Ca 0.22 0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.44 2jg4 n GLU 541 Cb 0.47 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 2jg4 n GLU 541 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2jg4 h LYS 542 N -0.34 0.00 -0.97 3.49 5.09 -2.05 -3.06 116.57 118.73 2jg4 h LYS 542 Ca -0.46 -0.00 -0.35 0.00 0.09 0.00 0.00 60.65 59.93 2jg4 h LYS 542 Cb 1.34 -0.00 -0.21 0.00 0.10 0.00 0.00 32.23 33.46 2jg4 h LYS 542 CO 0.44 0.00 0.44 -0.85 -2.09 0.00 0.00 179.45 177.40 2jg4 n GLU 543 N -5.18 2.10 -2.23 0.07 0.28 -1.26 -4.98 120.64 109.45 2jg4 n GLU 543 Ca -0.03 -2.23 -0.37 0.00 -0.16 0.00 0.00 57.16 54.37 2jg4 n GLU 543 Cb 0.11 -1.89 -0.00 0.00 1.43 0.00 0.00 31.44 31.09 2jg4 n GLU 543 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jg4 s ALA 544 N -2.43 2.93 0.21 -1.84 0.00 -1.16 -5.06 121.76 114.42 2jg4 s ALA 544 Ca 0.42 0.95 0.10 0.00 0.00 0.00 0.00 51.96 53.43 2jg4 s ALA 544 Cb 0.35 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2jg4 s ALA 544 CO 0.08 -0.72 -0.20 0.95 0.00 0.00 0.00 175.76 175.88 2jg4 s THR 545 N -1.55 2.15 0.14 0.00 -4.23 -1.26 -5.05 115.64 105.85 2jg4 s THR 545 Ca 0.65 -2.10 0.22 0.00 -1.18 0.00 0.00 61.69 59.27 2jg4 s THR 545 Cb -0.29 -2.07 0.19 0.00 1.34 0.00 0.00 72.50 71.67 2jg4 s THR 545 CO 0.35 -0.29 1.79 1.55 -0.54 0.00 0.00 174.62 177.47 2jg4 h PRO 546 N 2.94 0.00 -6.01 3.99 0.13 -1.97 -3.46 132.00 127.62 2jg4 h PRO 546 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 2jg4 h PRO 546 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 2jg4 h PRO 546 CO 0.53 0.29 -0.71 0.71 -0.23 0.00 0.00 178.00 178.59 2jg4 s TYR 547 N -3.63 2.33 0.47 1.56 2.02 -1.26 -5.08 117.35 113.76 2jg4 s TYR 547 Ca 0.00 -0.45 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 2jg4 s TYR 547 Cb 0.10 -1.22 -0.08 0.00 -0.40 0.00 0.00 41.96 40.37 2jg4 s TYR 547 CO 0.66 0.62 1.37 -2.30 -1.57 0.00 0.00 175.55 174.33 2jg4 n PRO 548 N -0.71 2.03 -4.87 -1.71 -0.02 -1.26 -4.83 135.00 123.62 2jg4 n PRO 548 Ca -0.05 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 2jg4 n PRO 548 Cb 0.62 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.42 2jg4 n PRO 548 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jg4 s ALA 549 N -1.22 2.68 -0.52 3.55 0.00 0.20 -4.80 121.76 121.64 2jg4 s ALA 549 Ca 0.64 -0.98 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 2jg4 s ALA 549 Cb -0.45 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.69 2jg4 s ALA 549 CO 0.56 0.56 1.51 -1.17 0.00 0.00 0.00 175.76 177.21 2jg4 s LEU 550 N -0.76 3.43 0.00 0.00 2.96 -1.26 -0.89 118.68 122.16 2jg4 s LEU 550 Ca 0.12 0.48 0.12 0.00 -0.22 0.00 0.00 54.13 54.62 2jg4 s LEU 550 Cb -0.11 -3.12 0.13 0.00 0.50 0.00 0.00 46.19 43.59 2jg4 s LEU 550 CO 0.01 -1.74 0.93 2.30 -1.32 0.00 0.00 176.35 176.52 2jg4 n ILE 551 N 6.99 0.15 -3.65 6.68 -5.35 0.28 -4.93 119.36 119.53 2jg4 n ILE 551 Ca 0.15 -0.57 -0.06 0.00 -0.27 0.00 0.00 62.75 62.00 2jg4 n ILE 551 Cb 0.49 1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 39.46 2jg4 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2jg4 s LYS 552 N -0.98 0.59 -0.45 6.28 2.20 -1.20 -4.94 119.74 121.24 2jg4 s LYS 552 Ca 0.15 1.23 0.04 0.00 -0.36 0.00 0.00 55.97 57.03 2jg4 s LYS 552 Cb 0.10 0.38 0.17 0.00 -1.51 0.00 0.00 37.83 36.97 2jg4 s LYS 552 CO 0.15 -0.18 0.35 0.34 -0.36 0.00 0.00 175.35 175.65 2jg4 s ASP 553 N 2.12 2.11 0.47 1.43 2.15 -1.25 -0.48 116.67 123.21 2jg4 s ASP 553 Ca -0.08 -3.11 0.04 0.00 0.43 0.00 0.00 52.55 49.83 2jg4 s ASP 553 Cb -0.08 -0.63 -0.04 0.00 -0.30 0.00 0.00 42.92 41.87 2jg4 s ASP 553 CO -0.18 -0.17 0.04 0.42 -0.17 0.00 0.00 175.17 175.11 2jg4 s THR 554 N -0.09 1.59 0.33 1.71 -4.23 -0.13 -5.01 115.64 109.81 2jg4 s THR 554 Ca 0.30 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 2jg4 s THR 554 Cb -0.00 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.56 2jg4 s THR 554 CO -0.17 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 175.88 2jg4 h ALA 555 N 1.49 1.53 0.07 3.99 0.00 -1.99 -3.10 119.26 121.24 2jg4 h ALA 555 Ca -0.44 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 2jg4 h ALA 555 Cb 1.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2jg4 h ALA 555 CO 0.76 0.41 -1.48 1.98 0.00 0.00 0.00 179.25 180.92 2jg4 h MET 556 N 0.96 0.15 -2.45 0.00 1.85 -1.91 -3.37 114.93 110.15 2jg4 h MET 556 Ca 0.30 -0.26 -0.09 0.00 -0.61 0.00 0.00 59.70 59.04 2jg4 h MET 556 Cb 0.01 0.10 -0.21 0.00 0.43 0.00 0.00 31.60 31.92 2jg4 h MET 556 CO -0.08 0.97 -0.06 -1.54 -0.40 0.00 0.00 176.91 175.80 2jg4 s SER 557 N -6.75 -0.51 -0.25 1.39 1.04 -1.17 -0.99 113.70 106.46 2jg4 s SER 557 Ca -0.07 0.80 -0.06 0.00 0.48 0.00 0.00 55.95 57.11 2jg4 s SER 557 Cb 0.08 0.82 -0.01 0.00 0.10 0.00 0.00 66.02 67.01 2jg4 s SER 557 CO 0.84 -0.34 0.03 -0.54 0.98 0.00 0.00 173.24 174.21 2jg4 s LYS 558 N -0.38 3.34 -0.33 4.02 1.02 0.97 -0.95 119.74 127.44 2jg4 s LYS 558 Ca -0.05 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 55.20 2jg4 s LYS 558 Cb -0.03 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.09 2jg4 s LYS 558 CO 0.04 -0.28 0.11 -1.17 -0.92 0.00 0.00 175.35 173.12 2jg4 s LEU 559 N 1.52 4.18 -0.06 3.17 2.96 0.37 -1.09 118.68 129.73 2jg4 s LEU 559 Ca 0.05 -0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 52.87 2jg4 s LEU 559 Cb -0.16 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.60 2jg4 s LEU 559 CO 0.00 -0.28 0.33 0.26 -1.32 0.00 0.00 176.35 175.35 2jg4 s TRP 560 N 1.46 3.64 -0.00 5.38 0.52 0.45 -0.55 118.94 129.83 2jg4 s TRP 560 Ca 0.00 0.82 0.00 0.00 0.02 0.00 0.00 56.10 56.94 2jg4 s TRP 560 Cb -0.19 -2.24 0.01 0.00 -1.15 0.00 0.00 33.47 29.90 2jg4 s TRP 560 CO 0.03 0.57 0.00 0.12 0.02 0.00 0.00 176.95 177.69 2jg4 s PHE 561 N -0.69 0.03 -0.14 -1.98 5.36 -0.07 -1.33 117.98 119.17 2jg4 s PHE 561 Ca 0.21 0.02 -0.05 0.00 -0.96 0.00 0.00 56.93 56.14 2jg4 s PHE 561 Cb -0.15 -0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.53 2jg4 s PHE 561 CO 0.09 -0.02 0.29 0.21 -1.46 0.00 0.00 175.22 174.33 2jg4 s LYS 562 N 0.19 0.19 0.24 10.12 2.20 -0.74 -0.63 119.74 131.30 2jg4 s LYS 562 Ca -0.02 0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 2jg4 s LYS 562 Cb -0.03 -0.00 -0.09 0.00 -1.51 0.00 0.00 37.83 36.20 2jg4 s LYS 562 CO -0.01 -0.26 1.17 -1.14 -0.36 0.00 0.00 175.35 174.76 2jg4 s GLN 563 N 2.23 4.53 0.10 4.03 0.74 -1.26 -2.27 119.66 127.76 2jg4 s GLN 563 Ca -0.01 1.88 -0.31 0.00 0.05 0.00 0.00 55.36 56.97 2jg4 s GLN 563 Cb -0.12 -3.20 -0.09 0.00 1.10 0.00 0.00 33.01 30.70 2jg4 s GLN 563 CO -0.09 0.02 1.73 0.34 -0.55 0.00 0.00 175.29 176.73 2jg4 s ASP 564 N -0.32 6.52 0.00 6.67 2.15 0.01 -4.84 116.67 126.85 2jg4 s ASP 564 Ca 0.49 2.62 0.03 0.00 0.43 0.00 0.00 52.55 56.13 2jg4 s ASP 564 Cb -0.33 -2.57 0.08 0.00 -0.30 0.00 0.00 42.92 39.80 2jg4 s ASP 564 CO 0.40 -0.94 1.05 -0.90 -0.17 0.00 0.00 175.17 174.62 2jg4 n ASP 565 N 5.50 2.22 0.04 -0.34 3.85 -1.26 -4.85 116.55 121.70 2jg4 n ASP 565 Ca 0.17 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.27 2jg4 n ASP 565 Cb 0.39 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.10 2jg4 n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2jg4 n LYS 566 N -0.21 0.00 -0.04 0.11 5.02 -1.26 -4.97 118.16 116.81 2jg4 n LYS 566 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.23 2jg4 n LYS 566 Cb 0.29 -0.44 -0.14 0.00 -0.02 0.00 0.00 35.03 34.71 2jg4 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2jg4 n PHE 567 N -3.27 0.77 -3.35 2.13 3.01 -1.26 -5.00 117.46 110.49 2jg4 n PHE 567 Ca 0.00 0.27 -0.24 0.00 1.01 0.00 0.00 57.45 58.49 2jg4 n PHE 567 Cb 0.18 -1.14 0.02 0.00 -0.01 0.00 0.00 39.48 38.53 2jg4 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2jg4 n PHE 568 N -2.99 -1.99 -4.01 1.38 3.01 -1.26 -5.00 117.46 106.60 2jg4 n PHE 568 Ca -0.21 0.59 -0.29 0.00 1.01 0.00 0.00 57.45 58.55 2jg4 n PHE 568 Cb 1.08 -3.76 -0.05 0.00 -0.01 0.00 0.00 39.48 36.73 2jg4 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2jg4 s LEU 569 N -6.73 4.04 -1.50 4.37 1.43 -1.26 -4.97 118.68 114.06 2jg4 s LEU 569 Ca 0.42 0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 2jg4 s LEU 569 Cb -0.21 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.36 2jg4 s LEU 569 CO 0.52 0.13 2.43 -0.81 0.23 0.00 0.00 176.35 178.84 2jg4 n PRO 570 N 0.05 3.17 -4.15 1.29 -0.04 -1.26 -4.59 135.00 129.47 2jg4 n PRO 570 Ca -0.07 -2.55 -0.10 0.00 -0.04 0.00 0.00 63.50 60.74 2jg4 n PRO 570 Cb 0.53 -3.12 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 2jg4 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jg4 s LYS 571 N 2.66 0.78 0.09 0.54 1.02 -1.26 -1.98 119.74 121.59 2jg4 s LYS 571 Ca 0.53 -1.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.10 2jg4 s LYS 571 Cb 0.15 -0.07 0.01 0.00 -0.52 0.00 0.00 37.83 37.40 2jg4 s LYS 571 CO -0.08 -0.05 0.26 0.00 -0.92 0.00 0.00 175.35 174.56 2jg4 s ALA 572 N -3.72 -0.49 -0.13 5.17 0.00 -0.66 -0.63 121.76 121.31 2jg4 s ALA 572 Ca 0.11 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2jg4 s ALA 572 Cb 0.06 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2jg4 s ALA 572 CO -0.06 -0.52 -0.23 0.00 0.00 0.00 0.00 175.76 174.96 2jg4 s LEU 574 N 0.67 4.26 -0.18 0.00 1.43 0.10 -0.71 118.68 124.24 2jg4 s LEU 574 Ca -0.11 -1.88 -0.04 0.00 -1.03 0.00 0.00 54.13 51.07 2jg4 s LEU 574 Cb -0.16 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 2jg4 s LEU 574 CO 0.01 -0.31 -0.02 0.20 0.23 0.00 0.00 176.35 176.46 2jg4 s ASN 575 N 0.98 4.73 -0.04 2.29 0.02 -0.12 -0.59 114.94 122.22 2jg4 s ASN 575 Ca 0.04 -0.20 0.05 0.00 -1.02 0.00 0.00 52.86 51.73 2jg4 s ASN 575 Cb -0.19 -1.79 -0.01 0.00 0.02 0.00 0.00 41.25 39.28 2jg4 s ASN 575 CO -0.07 0.10 -0.17 -0.36 0.02 0.00 0.00 177.10 176.61 2jg4 s PHE 576 N 0.79 1.68 -0.25 2.20 0.40 0.12 -0.73 117.98 122.20 2jg4 s PHE 576 Ca -0.01 -0.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 2jg4 s PHE 576 Cb -0.14 -1.12 0.05 0.00 0.51 0.00 0.00 43.02 42.32 2jg4 s PHE 576 CO 0.02 -0.13 -0.11 -2.00 0.70 0.00 0.00 175.22 173.69 2jg4 s GLU 577 N -0.06 2.41 -0.26 0.44 2.12 0.10 -1.23 118.70 122.22 2jg4 s GLU 577 Ca -0.01 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 53.93 2jg4 s GLU 577 Cb -0.10 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 2jg4 s GLU 577 CO 0.02 -0.51 0.36 -0.06 -0.54 0.00 0.00 175.26 174.53 2jg4 s PHE 578 N 1.16 3.27 -0.18 5.30 0.40 0.85 -1.54 117.98 127.24 2jg4 s PHE 578 Ca -0.06 0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 56.57 2jg4 s PHE 578 Cb -0.19 -2.54 -0.05 0.00 0.51 0.00 0.00 43.02 40.76 2jg4 s PHE 578 CO -0.06 -0.17 0.29 -0.06 0.70 0.00 0.00 175.22 175.92 2jg4 s PHE 579 N 1.87 3.43 -0.15 0.36 0.40 0.53 -0.98 117.98 123.43 2jg4 s PHE 579 Ca 0.15 0.55 -0.08 0.00 -0.60 0.00 0.00 56.93 56.94 2jg4 s PHE 579 Cb -0.15 -2.36 0.06 0.00 0.51 0.00 0.00 43.02 41.08 2jg4 s PHE 579 CO 0.09 0.18 0.37 0.45 0.70 0.00 0.00 175.22 177.02 2jg4 s SER 580 N 0.62 -0.46 0.36 1.36 0.15 -0.26 -2.77 113.70 112.71 2jg4 s SER 580 Ca 0.16 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.88 2jg4 s SER 580 Cb -0.13 0.69 1.21 0.00 -1.71 0.00 0.00 66.02 66.08 2jg4 s SER 580 CO 0.04 -0.19 1.81 1.55 1.20 0.00 0.00 173.24 177.66 2jg4 h PRO 581 N 7.12 0.00 -0.00 5.44 0.13 -1.87 -3.03 132.00 139.78 2jg4 h PRO 581 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2jg4 h PRO 581 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jg4 h PRO 581 CO 0.31 0.00 -0.03 1.19 -0.23 0.00 0.00 178.00 179.25 2jg4 n PHE 582 N -2.49 0.00 0.28 1.56 3.01 -1.26 -1.52 117.46 117.04 2jg4 n PHE 582 Ca 0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.59 2jg4 n PHE 582 Cb 0.20 -0.16 0.17 0.00 -0.01 0.00 0.00 39.48 39.67 2jg4 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jg4 h ALA 583 N 3.68 0.87 0.00 4.37 0.00 -1.85 -3.39 119.26 122.94 2jg4 h ALA 583 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg4 h ALA 583 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jg4 h ALA 583 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 179.25 180.23 2jg4 n TYR 584 N -2.83 0.00 -0.31 0.00 4.19 -1.18 -2.63 117.16 114.40 2jg4 n TYR 584 Ca 0.03 0.00 0.27 0.00 3.31 0.00 0.00 57.90 61.51 2jg4 n TYR 584 Cb 0.51 0.00 0.60 0.00 0.49 0.00 0.00 39.34 40.94 2jg4 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2jg4 h VAL 585 N 2.70 0.49 -2.70 2.97 3.04 -1.48 -3.45 116.25 117.83 2jg4 h VAL 585 Ca 0.00 -0.08 0.09 0.00 -1.01 0.00 0.00 66.70 65.70 2jg4 h VAL 585 Cb 0.92 0.23 -0.09 0.00 -2.01 0.00 0.00 31.29 30.34 2jg4 h VAL 585 CO 0.00 0.04 0.34 1.51 -1.01 0.00 0.00 177.57 178.46 2jg4 s ASP 586 N -5.27 -0.31 0.37 3.17 1.47 -1.26 -5.03 116.67 109.81 2jg4 s ASP 586 Ca -0.07 -0.34 0.13 0.00 1.18 0.00 0.00 52.55 53.45 2jg4 s ASP 586 Cb 0.24 0.58 0.96 0.00 -0.34 0.00 0.00 42.92 44.36 2jg4 s ASP 586 CO 0.80 -1.04 1.81 -0.65 0.68 0.00 0.00 175.17 176.77 2jg4 h PRO 587 N 2.00 0.53 -0.36 2.11 0.11 -1.91 -1.05 132.00 133.42 2jg4 h PRO 587 Ca -0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 2jg4 h PRO 587 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2jg4 h PRO 587 CO 0.28 0.35 0.21 1.25 -0.21 0.00 0.00 178.00 179.88 2jg4 h LEU 588 N 0.54 0.44 -0.40 2.35 5.85 -1.91 -1.19 115.31 121.00 2jg4 h LEU 588 Ca 0.53 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 59.01 2jg4 h LEU 588 Cb 1.13 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 2jg4 h LEU 588 CO -0.27 0.37 -0.58 0.45 -0.34 0.00 0.00 178.44 178.07 2jg4 h HIS 589 N 0.47 0.88 -0.30 1.25 3.86 -1.54 -0.76 115.15 119.01 2jg4 h HIS 589 Ca 0.13 -0.32 0.05 0.00 -1.16 0.00 0.00 60.37 59.07 2jg4 h HIS 589 Cb 0.02 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.28 2jg4 h HIS 589 CO -0.04 1.10 -0.01 0.00 0.86 0.00 0.00 177.93 179.85 2jg4 h ASN 591 N 0.08 0.93 -0.09 0.00 2.35 -0.84 -1.82 115.58 116.19 2jg4 h ASN 591 Ca 0.14 0.05 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 2jg4 h ASN 591 Cb 0.19 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.43 2jg4 h ASN 591 CO -0.25 0.50 -0.59 0.24 -1.65 0.00 0.00 177.43 175.69 2jg4 h MET 592 N 1.01 0.56 -0.45 0.81 2.86 0.54 -0.36 114.93 119.89 2jg4 h MET 592 Ca 0.49 -0.48 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2jg4 h MET 592 Cb 0.46 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.15 2jg4 h MET 592 CO -0.26 1.11 -0.02 0.00 1.06 0.00 0.00 176.91 178.80 2jg4 h ALA 593 N 0.46 0.40 0.37 6.32 0.00 0.03 0.11 119.26 126.96 2jg4 h ALA 593 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jg4 h ALA 593 Cb 1.24 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2jg4 h ALA 593 CO 0.12 -0.40 -0.28 -0.92 0.00 0.00 0.00 179.25 177.77 2jg4 h TYR 594 N 0.09 -0.74 -0.63 0.00 3.20 -1.21 -2.14 116.97 115.53 2jg4 h TYR 594 Ca 0.22 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 2jg4 h TYR 594 Cb 0.33 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2jg4 h TYR 594 CO -0.31 -0.42 0.33 -0.07 -1.64 0.00 0.00 178.16 176.05 2jg4 h LEU 595 N -0.65 0.81 0.01 2.82 -0.00 -0.60 -0.21 115.31 117.49 2jg4 h LEU 595 Ca -0.03 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.76 2jg4 h LEU 595 Cb 0.56 -0.21 -0.06 0.00 -0.00 0.00 0.00 40.66 40.96 2jg4 h LEU 595 CO -0.00 0.69 -0.49 0.22 -0.00 0.00 0.00 178.44 178.86 2jg4 h TYR 596 N 0.87 -1.41 -0.32 1.13 3.20 -0.76 0.17 116.97 119.85 2jg4 h TYR 596 Ca 0.22 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2jg4 h TYR 596 Cb 0.08 0.62 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2jg4 h TYR 596 CO -0.00 -0.55 -0.12 -0.07 -1.64 0.00 0.00 178.16 175.78 2jg4 h LEU 597 N -0.64 0.53 -0.62 2.82 4.07 -1.01 0.74 115.31 121.19 2jg4 h LEU 597 Ca 0.03 -0.14 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 2jg4 h LEU 597 Cb 0.70 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 2jg4 h LEU 597 CO -0.34 0.68 0.01 -0.33 -1.08 0.00 0.00 178.44 177.38 2jg4 h GLU 598 N 0.50 1.09 -0.46 1.13 4.39 -0.78 -1.41 114.58 119.05 2jg4 h GLU 598 Ca 0.09 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.36 2jg4 h GLU 598 Cb 0.51 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2jg4 h GLU 598 CO 0.03 1.05 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.77 2jg4 h LEU 599 N 1.00 0.80 0.38 1.33 3.38 -0.07 -0.54 115.31 121.59 2jg4 h LEU 599 Ca 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2jg4 h LEU 599 Cb 0.55 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jg4 h LEU 599 CO 0.03 0.92 -0.18 0.25 0.09 0.00 0.00 178.44 179.55 2jg4 h LEU 600 N 0.74 -0.44 -0.47 1.67 7.12 -0.67 -0.04 115.31 123.22 2jg4 h LEU 600 Ca 0.13 -0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.15 2jg4 h LEU 600 Cb 0.58 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.79 2jg4 h LEU 600 CO 0.04 -0.28 0.28 0.11 -0.13 0.00 0.00 178.44 178.45 2jg4 h LYS 601 N -0.55 0.55 -0.98 1.25 1.57 -1.21 0.12 116.57 117.31 2jg4 h LYS 601 Ca -0.05 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2jg4 h LYS 601 Cb 0.42 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 2jg4 h LYS 601 CO 0.09 0.36 0.64 0.22 -0.57 0.00 0.00 179.45 180.19 2jg4 h ASP 602 N 0.56 1.08 -0.28 0.86 1.82 -1.02 -1.42 116.42 118.02 2jg4 h ASP 602 Ca 0.19 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.75 2jg4 h ASP 602 Cb 0.02 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 2jg4 h ASP 602 CO -0.09 0.74 -0.09 -1.28 -1.61 0.00 0.00 179.24 176.91 2jg4 h SER 603 N 1.25 0.56 0.64 2.28 0.87 -0.06 -3.06 113.55 116.04 2jg4 h SER 603 Ca 0.39 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2jg4 h SER 603 Cb -0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2jg4 h SER 603 CO -0.12 0.82 0.00 0.18 -0.53 0.00 0.00 176.83 177.18 2jg4 n LEU 604 N -4.48 0.00 0.07 2.23 4.77 0.32 -4.42 117.00 115.48 2jg4 n LEU 604 Ca -0.03 0.48 -0.11 0.00 -0.03 0.00 0.00 56.01 56.31 2jg4 n LEU 604 Cb 0.33 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2jg4 n LEU 604 CO 0.40 -0.16 0.74 -1.13 -1.33 0.00 0.00 177.39 175.92 2jg4 h ASN 605 N 0.00 -0.55 -0.59 -1.43 -0.73 -1.15 -0.15 115.58 110.98 2jg4 h ASN 605 Ca 0.00 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.36 2jg4 h ASN 605 Cb 0.32 0.23 -0.11 0.00 0.27 0.00 0.00 38.32 39.02 2jg4 h ASN 605 CO 0.00 -0.26 -0.18 -0.33 -0.37 0.00 0.00 177.43 176.30 2jg4 h GLU 606 N -0.32 -0.03 -0.32 6.67 5.08 -1.77 0.02 114.58 123.91 2jg4 h GLU 606 Ca 0.05 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2jg4 h GLU 606 Cb 0.38 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jg4 h GLU 606 CO -0.16 -0.02 -0.40 -0.92 -1.00 0.00 0.00 179.01 176.51 2jg4 h TYR 607 N -0.03 0.91 0.00 4.33 3.20 -1.72 -3.17 116.97 120.49 2jg4 h TYR 607 Ca 0.28 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jg4 h TYR 607 Cb 0.46 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2jg4 h TYR 607 CO -0.51 1.04 0.00 0.00 -1.64 0.00 0.00 178.16 177.05 2jg4 h ALA 608 N 0.93 1.00 -0.21 1.82 0.00 -0.32 -3.31 119.26 119.17 2jg4 h ALA 608 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jg4 h ALA 608 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2jg4 h ALA 608 CO 0.09 0.00 0.11 -0.92 0.00 0.00 0.00 179.25 178.53 2jg4 h TYR 609 N 0.00 0.21 -0.79 0.00 3.20 -0.99 -1.68 116.97 116.93 2jg4 h TYR 609 Ca 0.00 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2jg4 h TYR 609 Cb 0.79 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 2jg4 h TYR 609 CO 0.00 0.13 0.45 0.00 -1.64 0.00 0.00 178.16 177.10 2jg4 h ALA 610 N 1.10 1.10 -0.68 1.82 0.00 -1.75 -1.11 119.26 119.73 2jg4 h ALA 610 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jg4 h ALA 610 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2jg4 h ALA 610 CO -0.05 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.74 2jg4 h ALA 611 N 1.42 0.89 -0.37 0.00 0.00 -1.57 -1.68 119.26 117.94 2jg4 h ALA 611 Ca 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2jg4 h ALA 611 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jg4 h ALA 611 CO -0.22 0.16 0.17 1.49 0.00 0.00 0.00 179.25 180.86 2jg4 h GLU 612 N 0.80 0.55 -0.45 0.00 4.81 -0.35 0.17 114.58 120.11 2jg4 h GLU 612 Ca 0.28 -0.09 0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2jg4 h GLU 612 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2jg4 h GLU 612 CO -0.12 0.50 0.31 -0.07 -0.73 0.00 0.00 179.01 178.90 2jg4 h LEU 613 N 0.46 0.19 -1.83 1.64 3.38 -0.98 -0.45 115.31 117.73 2jg4 h LEU 613 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jg4 h LEU 613 Cb 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jg4 h LEU 613 CO -0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.63 2jg4 n ALA 614 N -2.56 2.92 -2.83 1.53 0.00 -0.66 -4.89 120.51 114.03 2jg4 n ALA 614 Ca 0.07 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2jg4 n ALA 614 Cb 0.37 -1.03 0.03 0.00 0.00 0.00 0.00 19.45 18.82 2jg4 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jg4 n GLY 615 N 0.44 -0.05 2.79 0.00 0.00 -0.18 -4.69 105.19 103.50 2jg4 n GLY 615 Ca 0.11 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2jg4 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jg4 s LEU 616 N -4.49 2.01 0.40 0.99 0.20 0.52 -2.33 118.68 115.97 2jg4 s LEU 616 Ca 0.23 -1.25 0.04 0.00 0.69 0.00 0.00 54.13 53.84 2jg4 s LEU 616 Cb -0.10 -0.86 -0.06 0.00 -0.43 0.00 0.00 46.19 44.74 2jg4 s LEU 616 CO 0.28 -0.33 0.04 -0.94 -0.29 0.00 0.00 176.35 175.11 2jg4 s SER 617 N 1.63 3.27 0.06 3.68 1.04 -0.66 -2.01 113.70 120.71 2jg4 s SER 617 Ca 0.02 -1.46 -0.08 0.00 0.48 0.00 0.00 55.95 54.91 2jg4 s SER 617 Cb -0.18 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 2jg4 s SER 617 CO -0.14 -0.64 0.16 -0.72 0.98 0.00 0.00 173.24 172.88 2jg4 s TYR 618 N -3.01 0.14 -0.07 5.02 -0.85 -1.26 -2.06 117.35 115.28 2jg4 s TYR 618 Ca 0.29 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 2jg4 s TYR 618 Cb 0.07 -0.08 0.01 0.00 0.38 0.00 0.00 41.96 42.34 2jg4 s TYR 618 CO 0.14 -0.46 -0.12 0.34 -1.52 0.00 0.00 175.55 173.93 2jg4 s ASP 619 N -2.42 1.81 -0.15 -0.18 2.15 0.59 -4.99 116.67 113.49 2jg4 s ASP 619 Ca -0.01 -0.31 -0.04 0.00 0.43 0.00 0.00 52.55 52.63 2jg4 s ASP 619 Cb 0.02 -0.84 0.07 0.00 -0.30 0.00 0.00 42.92 41.86 2jg4 s ASP 619 CO -0.07 0.03 0.19 -0.22 -0.17 0.00 0.00 175.17 174.93 2jg4 s LEU 620 N 0.67 -0.06 0.09 -1.34 2.96 -1.26 -0.43 118.68 119.31 2jg4 s LEU 620 Ca -0.14 0.02 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 2jg4 s LEU 620 Cb -0.16 0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.84 2jg4 s LEU 620 CO 0.04 -0.29 0.22 0.00 -1.32 0.00 0.00 176.35 175.00 2jg4 s GLN 621 N 2.30 0.85 0.37 1.98 -2.07 -0.58 -4.90 119.66 117.62 2jg4 s GLN 621 Ca 0.04 -0.87 -0.24 0.00 -1.82 0.00 0.00 55.36 52.48 2jg4 s GLN 621 Cb -0.14 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 32.03 2jg4 s GLN 621 CO -0.09 -0.28 0.95 0.54 -1.32 0.00 0.00 175.29 175.10 2jg4 s ASN 622 N -2.73 7.13 0.36 12.60 2.20 -1.26 -0.50 114.94 132.75 2jg4 s ASN 622 Ca 0.03 1.79 0.03 0.00 -0.94 0.00 0.00 52.86 53.77 2jg4 s ASN 622 Cb 0.04 -2.56 -0.05 0.00 -2.00 0.00 0.00 41.25 36.68 2jg4 s ASN 622 CO -0.10 -0.22 0.08 0.42 -2.94 0.00 0.00 177.10 174.35 2jg4 s THR 623 N -1.85 0.93 -1.16 0.54 -4.23 0.75 -4.87 115.64 105.76 2jg4 s THR 623 Ca 0.56 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 2jg4 s THR 623 Cb -0.15 -2.59 0.14 0.00 1.34 0.00 0.00 72.50 71.23 2jg4 s THR 623 CO 0.20 0.00 1.34 2.30 -0.54 0.00 0.00 174.62 177.92 2jg4 n ILE 624 N -0.78 1.02 0.27 2.99 -5.35 -1.26 -2.23 119.36 114.01 2jg4 n ILE 624 Ca -0.04 0.25 0.03 0.00 -0.27 0.00 0.00 62.75 62.72 2jg4 n ILE 624 Cb 0.66 -1.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 2jg4 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2jg4 n TYR 625 N -1.42 0.00 0.00 4.28 0.53 -1.26 -4.62 117.16 114.67 2jg4 n TYR 625 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 2jg4 n TYR 625 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.43 2jg4 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2jg4 n GLY 626 N 0.71 0.55 3.04 2.72 0.00 -0.94 -1.10 105.19 110.16 2jg4 n GLY 626 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2jg4 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jg4 s MET 627 N 0.00 0.49 -0.07 1.61 -1.94 -0.15 -0.18 119.30 119.07 2jg4 s MET 627 Ca 0.00 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.33 2jg4 s MET 627 Cb 0.00 -0.26 0.01 0.00 2.01 0.00 0.00 34.83 36.59 2jg4 s MET 627 CO 0.00 0.05 -0.15 -0.47 -0.01 0.00 0.00 175.02 174.44 2jg4 s TYR 628 N -1.25 1.69 -0.07 -0.03 5.04 0.35 -0.11 117.35 122.96 2jg4 s TYR 628 Ca -0.09 -0.64 0.01 0.00 -2.44 0.00 0.00 57.07 53.91 2jg4 s TYR 628 Cb -0.09 -1.20 0.02 0.00 0.35 0.00 0.00 41.96 41.04 2jg4 s TYR 628 CO 0.00 -0.30 -0.08 -1.17 -1.34 0.00 0.00 175.55 172.66 2jg4 s LEU 629 N 0.56 1.37 -0.03 6.97 0.20 -0.37 -1.53 118.68 125.86 2jg4 s LEU 629 Ca -0.15 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.47 2jg4 s LEU 629 Cb -0.16 -0.71 -0.00 0.00 -0.43 0.00 0.00 46.19 44.88 2jg4 s LEU 629 CO 0.05 -0.04 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.36 2jg4 s SER 630 N 1.10 1.88 -0.12 3.68 0.15 0.43 0.16 113.70 120.98 2jg4 s SER 630 Ca -0.07 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.30 2jg4 s SER 630 Cb -0.14 -0.44 0.01 0.00 -1.71 0.00 0.00 66.02 63.74 2jg4 s SER 630 CO -0.01 0.15 -0.17 -0.69 1.20 0.00 0.00 173.24 173.72 2jg4 s VAL 631 N -0.03 1.64 0.10 4.45 1.01 0.25 -0.30 120.40 127.51 2jg4 s VAL 631 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2jg4 s VAL 631 Cb -0.09 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 2jg4 s VAL 631 CO 0.01 0.47 -0.02 -1.59 0.00 0.00 0.00 175.10 173.97 2jg4 s LYS 632 N 1.03 0.82 0.00 2.72 0.00 -0.87 -0.72 119.74 122.71 2jg4 s LYS 632 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 55.97 54.58 2jg4 s LYS 632 Cb -0.15 0.02 0.00 0.00 0.00 0.00 0.00 37.83 37.71 2jg4 s LYS 632 CO -0.03 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 175.61 2jg4 n GLY 633 N -0.03 0.80 3.75 0.59 0.00 -1.18 -1.65 105.19 107.48 2jg4 n GLY 633 Ca -0.11 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 2jg4 n GLY 633 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jg4 s TYR 634 N -1.95 2.77 0.20 1.61 2.02 -0.98 -1.65 117.35 119.37 2jg4 s TYR 634 Ca 0.00 0.74 0.02 0.00 -0.37 0.00 0.00 57.07 57.46 2jg4 s TYR 634 Cb 0.00 -4.07 0.14 0.00 -0.40 0.00 0.00 41.96 37.62 2jg4 s TYR 634 CO 0.00 -3.66 1.48 -2.95 -1.57 0.00 0.00 175.55 168.85 2jg4 h ASN 635 N 5.06 0.35 -0.50 2.29 -1.07 -1.68 -3.37 115.58 116.66 2jg4 h ASN 635 Ca -0.47 -0.23 0.05 0.00 0.07 0.00 0.00 56.30 55.72 2jg4 h ASN 635 Cb 1.22 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 37.30 2jg4 h ASN 635 CO 0.81 0.94 -0.30 -0.67 0.07 0.00 0.00 177.43 178.28 2jg4 n ASP 636 N -3.83 -0.53 -0.85 6.14 4.64 -1.26 -1.88 116.55 118.98 2jg4 n ASP 636 Ca -0.03 0.90 0.07 0.00 -1.38 0.00 0.00 54.79 54.35 2jg4 n ASP 636 Cb 0.68 -0.12 0.20 0.00 -1.04 0.00 0.00 41.12 40.85 2jg4 n ASP 636 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2jg4 n LYS 637 N -4.63 2.90 -0.09 -0.67 5.02 -1.26 -4.61 118.16 114.82 2jg4 n LYS 637 Ca 0.01 -2.27 -0.07 0.00 -2.02 0.00 0.00 58.31 53.96 2jg4 n LYS 637 Cb 0.13 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2jg4 n LYS 637 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2jg4 h GLN 638 N 2.56 0.25 -0.95 1.97 4.20 -1.54 -2.51 115.11 119.09 2jg4 h GLN 638 Ca 0.00 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.87 2jg4 h GLN 638 Cb 0.87 -0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.51 2jg4 h GLN 638 CO 0.03 0.16 0.60 -1.35 -0.67 0.00 0.00 178.83 177.60 2jg4 h PRO 639 N 0.25 0.63 0.21 1.46 0.11 -1.82 -0.05 132.00 132.80 2jg4 h PRO 639 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 2jg4 h PRO 639 Cb 0.10 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2jg4 h PRO 639 CO -0.14 0.42 -0.10 0.82 -0.21 0.00 0.00 178.00 178.79 2jg4 h ILE 640 N 0.65 0.83 -0.19 4.15 2.04 -1.79 -2.17 117.51 121.03 2jg4 h ILE 640 Ca 0.51 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.15 2jg4 h ILE 640 Cb 0.92 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2jg4 h ILE 640 CO -0.26 0.05 0.09 0.25 0.00 0.00 0.00 178.15 178.27 2jg4 h LEU 641 N -0.38 0.25 -0.43 1.44 5.85 -0.94 -2.53 115.31 118.57 2jg4 h LEU 641 Ca -0.03 -0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.63 2jg4 h LEU 641 Cb 0.30 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 2jg4 h LEU 641 CO 0.05 0.32 0.04 0.25 -0.34 0.00 0.00 178.44 178.76 2jg4 h LEU 642 N 0.17 -0.09 -0.00 2.25 6.46 -1.12 -1.07 115.31 121.90 2jg4 h LEU 642 Ca 0.07 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2jg4 h LEU 642 Cb 0.14 0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2jg4 h LEU 642 CO -0.01 -0.01 -0.02 0.50 -0.62 0.00 0.00 178.44 178.28 2jg4 h LYS 643 N 0.16 -0.04 -0.96 1.25 3.64 -1.16 -0.81 116.57 118.65 2jg4 h LYS 643 Ca 0.21 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.72 2jg4 h LYS 643 Cb 0.29 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.04 2jg4 h LYS 643 CO -0.32 -0.02 0.61 -0.22 -2.27 0.00 0.00 179.45 177.23 2jg4 h LYS 644 N -0.04 0.89 0.72 1.90 1.63 -1.12 0.14 116.57 120.70 2jg4 h LYS 644 Ca 0.01 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.72 2jg4 h LYS 644 Cb 0.05 -0.20 0.01 0.00 -0.60 0.00 0.00 32.23 31.49 2jg4 h LYS 644 CO -0.03 0.59 -0.34 0.82 -3.45 0.00 0.00 179.45 177.04 2jg4 h ILE 645 N 0.92 0.00 -0.35 2.00 2.04 -0.07 -0.77 117.51 121.28 2jg4 h ILE 645 Ca 0.47 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 66.27 2jg4 h ILE 645 Cb 0.52 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2jg4 h ILE 645 CO -0.24 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.45 2jg4 h ILE 646 N -1.07 0.93 -0.42 -0.67 1.08 -0.98 0.43 117.51 116.81 2jg4 h ILE 646 Ca -0.10 -0.10 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 2jg4 h ILE 646 Cb 0.74 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 2jg4 h ILE 646 CO 0.16 0.05 0.02 -0.08 -0.69 0.00 0.00 178.15 177.61 2jg4 h GLU 647 N 0.30 0.13 -0.88 2.37 4.81 -0.78 -0.58 114.58 119.95 2jg4 h GLU 647 Ca 0.16 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2jg4 h GLU 647 Cb 0.11 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 2jg4 h GLU 647 CO -0.14 0.08 0.46 0.87 -0.73 0.00 0.00 179.01 179.55 2jg4 h LYS 648 N 0.13 1.25 -0.07 1.92 1.79 -0.20 -2.38 116.57 119.01 2jg4 h LYS 648 Ca 0.21 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 2jg4 h LYS 648 Cb 0.29 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2jg4 h LYS 648 CO -0.33 0.93 -0.55 0.00 -1.08 0.00 0.00 179.45 178.42 2jg4 h MET 649 N 1.24 0.20 0.00 3.15 -0.00 -0.26 -1.64 114.93 117.62 2jg4 h MET 649 Ca 0.31 -0.12 0.00 0.00 -0.00 0.00 0.00 59.70 59.89 2jg4 h MET 649 Cb 0.07 0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.68 2jg4 h MET 649 CO -0.04 0.70 0.00 0.00 -0.00 0.00 0.00 176.91 177.56 2jg4 n ALA 650 N -2.46 2.24 -1.74 -3.00 0.00 -0.29 -3.75 120.51 111.51 2jg4 n ALA 650 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2jg4 n ALA 650 Cb 0.58 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.63 2jg4 n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jg4 n THR 651 N -1.77 0.73 -1.80 0.00 -2.24 -0.92 -4.36 114.28 103.93 2jg4 n THR 651 Ca 0.06 -1.02 -0.41 0.00 -2.27 0.00 0.00 64.05 60.41 2jg4 n THR 651 Cb 0.35 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 2jg4 n THR 651 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2jg4 s PHE 652 N -1.10 2.63 -0.10 4.78 5.36 -0.63 -5.00 117.98 123.93 2jg4 s PHE 652 Ca 0.16 1.05 0.02 0.00 -0.96 0.00 0.00 56.93 57.20 2jg4 s PHE 652 Cb 0.15 -4.04 0.02 0.00 -0.34 0.00 0.00 43.02 38.81 2jg4 s PHE 652 CO -0.01 -3.17 -0.13 -1.21 -1.46 0.00 0.00 175.22 169.23 2jg4 s GLU 653 N -1.62 1.99 -0.18 10.12 2.02 -1.26 -5.10 118.70 124.67 2jg4 s GLU 653 Ca 0.56 -0.48 -0.18 0.00 0.02 0.00 0.00 54.97 54.88 2jg4 s GLU 653 Cb -0.47 -1.71 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 2jg4 s GLU 653 CO 0.59 -0.06 0.50 0.42 0.02 0.00 0.00 175.26 176.73 2jg4 s ILE 654 N 0.97 5.13 -0.09 -1.63 1.01 -1.26 -5.04 121.20 120.29 2jg4 s ILE 654 Ca -0.08 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2jg4 s ILE 654 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2jg4 s ILE 654 CO -0.01 0.22 1.25 -0.62 0.00 0.00 0.00 174.94 175.78 2jg4 s ASP 655 N 1.00 6.99 0.21 3.58 -1.08 -1.26 -4.94 116.67 121.17 2jg4 s ASP 655 Ca 0.24 1.80 -0.08 0.00 -0.52 0.00 0.00 52.55 53.99 2jg4 s ASP 655 Cb -0.15 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 38.92 2jg4 s ASP 655 CO 0.10 -0.67 1.81 -0.08 0.52 0.00 0.00 175.17 176.85 2jg4 h GLU 656 N 7.82 1.17 -0.74 4.34 4.81 -1.99 -1.23 114.58 128.75 2jg4 h GLU 656 Ca -0.32 -0.17 0.12 0.00 -0.13 0.00 0.00 59.36 58.87 2jg4 h GLU 656 Cb 1.14 -0.21 -0.09 0.00 0.63 0.00 0.00 28.75 30.22 2jg4 h GLU 656 CO 0.92 0.90 0.33 0.87 -0.73 0.00 0.00 179.01 181.30 2jg4 h LYS 657 N 1.15 0.50 -0.28 1.92 1.79 -2.00 -1.84 116.57 117.81 2jg4 h LYS 657 Ca 0.28 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.62 2jg4 h LYS 657 Cb 0.12 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2jg4 h LYS 657 CO -0.04 0.33 -0.21 0.00 -1.08 0.00 0.00 179.45 178.46 2jg4 h ARG 658 N 0.52 0.64 -0.48 3.15 2.47 -1.77 -2.48 114.38 116.43 2jg4 h ARG 658 Ca 0.39 -0.31 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 2jg4 h ARG 658 Cb 0.52 -0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.77 2jg4 h ARG 658 CO -0.35 0.90 0.00 0.35 0.56 0.00 0.00 179.97 181.44 2jg4 h PHE 659 N 0.38 -0.02 -0.50 3.04 3.57 -0.89 -0.12 116.94 122.40 2jg4 h PHE 659 Ca 0.05 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2jg4 h PHE 659 Cb 0.75 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2jg4 h PHE 659 CO 0.07 -0.10 0.14 0.93 -2.23 0.00 0.00 178.31 177.12 2jg4 h GLU 660 N 0.12 0.78 -0.18 1.11 4.39 -1.22 -0.87 114.58 118.70 2jg4 h GLU 660 Ca 0.24 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2jg4 h GLU 660 Cb 0.35 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jg4 h GLU 660 CO -0.39 0.74 -0.03 0.82 -1.16 0.00 0.00 179.01 178.99 2jg4 h ILE 661 N 0.68 1.28 -0.59 3.13 2.04 -1.15 -2.04 117.51 120.85 2jg4 h ILE 661 Ca 0.16 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 2jg4 h ILE 661 Cb 0.29 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2jg4 h ILE 661 CO -0.00 0.29 0.17 0.40 0.00 0.00 0.00 178.15 179.01 2jg4 h ILE 662 N 0.07 1.24 -0.10 -0.67 2.04 -0.99 -1.67 117.51 117.43 2jg4 h ILE 662 Ca 0.05 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.10 2jg4 h ILE 662 Cb 0.46 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2jg4 h ILE 662 CO 0.02 0.32 -0.14 0.50 0.00 0.00 0.00 178.15 178.85 2jg4 h LYS 663 N 0.85 -0.17 -0.66 2.37 3.64 -1.10 0.44 116.57 121.93 2jg4 h LYS 663 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2jg4 h LYS 663 Cb 0.31 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2jg4 h LYS 663 CO -0.00 -0.11 0.36 1.49 -2.27 0.00 0.00 179.45 178.91 2jg4 h GLU 664 N -0.18 0.65 -0.35 1.90 4.22 -1.19 -0.36 114.58 119.27 2jg4 h GLU 664 Ca 0.08 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.38 2jg4 h GLU 664 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jg4 h GLU 664 CO -0.21 0.43 -0.19 0.00 -2.18 0.00 0.00 179.01 176.86 2jg4 h ALA 665 N 1.35 1.00 -0.51 2.92 0.00 -0.83 -2.51 119.26 120.68 2jg4 h ALA 665 Ca 0.30 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2jg4 h ALA 665 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jg4 h ALA 665 CO -0.19 0.59 -0.02 -0.92 0.00 0.00 0.00 179.25 178.71 2jg4 h TYR 666 N 0.59 0.94 -0.09 0.00 3.20 -0.22 -0.17 116.97 121.22 2jg4 h TYR 666 Ca 0.09 -0.15 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2jg4 h TYR 666 Cb 0.65 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2jg4 h TYR 666 CO 0.03 0.86 0.02 1.98 -1.64 0.00 0.00 178.16 179.42 2jg4 h MET 667 N 0.80 0.07 -0.73 1.82 4.05 -0.79 -1.48 114.93 118.67 2jg4 h MET 667 Ca 0.15 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2jg4 h MET 667 Cb 0.51 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 2jg4 h MET 667 CO 0.03 0.04 0.32 0.00 0.23 0.00 0.00 176.91 177.53 2jg4 h ARG 668 N 0.07 1.07 -0.20 0.39 3.08 -1.13 -1.39 114.38 116.26 2jg4 h ARG 668 Ca 0.04 -0.18 0.05 0.00 0.07 0.00 0.00 59.98 59.96 2jg4 h ARG 668 Cb 0.02 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 2jg4 h ARG 668 CO -0.04 0.86 -0.13 1.03 -1.07 0.00 0.00 179.97 180.61 2jg4 h SER 669 N 1.03 -0.43 0.15 7.04 0.87 -0.71 0.44 113.55 121.93 2jg4 h SER 669 Ca 0.25 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2jg4 h SER 669 Cb 0.17 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2jg4 h SER 669 CO -0.03 -0.17 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.85 2jg4 h LEU 670 N -0.13 -0.49 -0.88 2.23 3.38 -0.98 -2.55 115.31 115.89 2jg4 h LEU 670 Ca 0.12 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.30 2jg4 h LEU 670 Cb 0.30 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 2jg4 h LEU 670 CO -0.28 -0.27 0.46 0.78 0.09 0.00 0.00 178.44 179.22 2jg4 h ASN 671 N -0.38 0.54 0.19 -0.43 2.35 -0.67 -1.81 115.58 115.37 2jg4 h ASN 671 Ca 0.01 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2jg4 h ASN 671 Cb 0.37 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2jg4 h ASN 671 CO -0.07 0.20 0.00 0.59 -1.65 0.00 0.00 177.43 176.51 2jg4 n ASN 672 N -4.88 0.00 0.09 5.81 5.03 0.15 -2.08 115.26 119.39 2jg4 n ASN 672 Ca 0.19 0.22 0.04 0.00 0.87 0.00 0.00 54.58 55.89 2jg4 n ASN 672 Cb 0.48 -0.32 0.45 0.00 -1.02 0.00 0.00 39.78 39.36 2jg4 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2jg4 h PHE 673 N 0.00 0.32 0.00 3.10 3.57 -1.33 -1.78 116.94 120.82 2jg4 h PHE 673 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2jg4 h PHE 673 Cb 0.10 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2jg4 h PHE 673 CO 0.00 0.29 0.05 2.89 -2.23 0.00 0.00 178.31 179.31 2jg4 n ARG 674 N -4.40 0.07 0.00 1.11 1.85 -0.88 -1.43 116.66 112.98 2jg4 n ARG 674 Ca 0.00 0.54 0.08 0.00 -1.00 0.00 0.00 57.85 57.47 2jg4 n ARG 674 Cb 0.15 -1.76 -0.04 0.00 -1.05 0.00 0.00 32.46 29.77 2jg4 n ARG 674 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jg4 n ALA 675 N -1.60 3.49 -0.63 2.89 0.00 -0.67 -4.13 120.51 119.86 2jg4 n ALA 675 Ca -0.01 -0.49 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2jg4 n ALA 675 Cb 0.06 -0.55 0.19 0.00 0.00 0.00 0.00 19.45 19.15 2jg4 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jg4 s GLU 676 N -2.10 0.44 0.46 0.00 0.41 -0.51 -4.90 118.70 112.50 2jg4 s GLU 676 Ca 0.10 1.39 -0.22 0.00 -0.41 0.00 0.00 54.97 55.83 2jg4 s GLU 676 Cb 0.12 -1.67 -0.08 0.00 -1.78 0.00 0.00 34.13 30.72 2jg4 s GLU 676 CO 0.49 -2.98 1.12 -0.65 -0.49 0.00 0.00 175.26 172.76 2jg4 s GLN 677 N -4.58 3.79 0.28 1.61 -0.21 -1.26 -4.81 119.66 114.49 2jg4 s GLN 677 Ca 0.67 1.66 -0.01 0.00 0.02 0.00 0.00 55.36 57.70 2jg4 s GLN 677 Cb -0.24 -2.35 0.64 0.00 1.00 0.00 0.00 33.01 32.06 2jg4 s GLN 677 CO 0.60 -0.49 1.61 -1.35 -2.12 0.00 0.00 175.29 173.54 2jg4 h PRO 678 N 1.98 0.10 -0.02 2.91 0.11 -1.89 0.27 132.00 135.46 2jg4 h PRO 678 Ca -0.49 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2jg4 h PRO 678 Cb 1.24 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2jg4 h PRO 678 CO 0.60 0.06 -0.22 1.12 -0.21 0.00 0.00 178.00 179.36 2jg4 h HIS 679 N 0.10 0.04 -0.19 0.65 2.07 -1.86 0.60 115.15 116.56 2jg4 h HIS 679 Ca 0.53 -0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.88 2jg4 h HIS 679 Cb 1.04 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.01 2jg4 h HIS 679 CO -0.40 0.26 -0.51 1.96 -3.07 0.00 0.00 177.93 176.17 2jg4 h GLN 680 N 0.04 0.67 -0.60 5.12 4.20 -0.86 -1.93 115.11 121.75 2jg4 h GLN 680 Ca 0.01 -0.48 0.04 0.00 0.06 0.00 0.00 58.65 58.28 2jg4 h GLN 680 Cb 0.41 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 2jg4 h GLN 680 CO 0.03 1.10 0.34 0.45 -0.67 0.00 0.00 178.83 180.08 2jg4 h HIS 681 N 0.37 0.63 -0.34 2.96 3.86 -0.80 -1.10 115.15 120.72 2jg4 h HIS 681 Ca -0.01 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2jg4 h HIS 681 Cb 1.13 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.37 2jg4 h HIS 681 CO 0.09 0.32 0.13 0.00 0.86 0.00 0.00 177.93 179.34 2jg4 h ALA 682 N 1.30 0.41 -0.49 2.45 0.00 -0.69 -0.27 119.26 121.95 2jg4 h ALA 682 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2jg4 h ALA 682 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jg4 h ALA 682 CO -0.15 -0.26 0.22 0.52 0.00 0.00 0.00 179.25 179.59 2jg4 h MET 683 N 0.29 0.71 0.16 0.00 2.07 -1.15 -2.33 114.93 114.68 2jg4 h MET 683 Ca 0.15 -0.11 0.02 0.00 -2.07 0.00 0.00 59.70 57.69 2jg4 h MET 683 Cb 0.11 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 29.68 2jg4 h MET 683 CO -0.14 0.61 -0.38 -0.92 1.07 0.00 0.00 176.91 177.15 2jg4 h TYR 684 N 0.65 -1.05 -0.61 -0.22 3.20 -0.40 -1.50 116.97 117.03 2jg4 h TYR 684 Ca 0.17 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.16 2jg4 h TYR 684 Cb 0.15 0.44 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 2jg4 h TYR 684 CO -0.00 -0.49 0.41 1.88 -1.64 0.00 0.00 178.16 178.32 2jg4 h TYR 685 N -0.64 0.43 -0.07 -3.82 0.05 -1.00 -1.50 116.97 110.42 2jg4 h TYR 685 Ca 0.02 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2jg4 h TYR 685 Cb 0.65 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.25 2jg4 h TYR 685 CO -0.31 0.20 -0.05 1.25 -1.05 0.00 0.00 178.16 178.20 2jg4 h LEU 686 N 0.40 0.16 -0.63 3.88 5.85 -0.88 -1.24 115.31 122.86 2jg4 h LEU 686 Ca 0.29 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.65 2jg4 h LEU 686 Cb 0.59 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 2jg4 h LEU 686 CO -0.08 0.58 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.09 2jg4 h ARG 687 N -0.25 -0.18 -0.91 1.25 9.65 -0.78 0.56 114.38 123.71 2jg4 h ARG 687 Ca 0.01 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.99 2jg4 h ARG 687 Cb 0.52 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.07 2jg4 h ARG 687 CO 0.01 -0.12 0.57 -0.07 2.80 0.00 0.00 179.97 183.16 2jg4 h LEU 688 N -0.19 0.87 -0.30 3.80 3.38 -1.22 -2.03 115.31 119.63 2jg4 h LEU 688 Ca 0.20 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 58.00 2jg4 h LEU 688 Cb 0.56 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2jg4 h LEU 688 CO -0.72 0.53 -0.81 -0.07 0.09 0.00 0.00 178.44 177.45 2jg4 h LEU 689 N 0.99 0.52 0.00 1.67 3.38 -0.09 -3.35 115.31 118.44 2jg4 h LEU 689 Ca 0.42 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jg4 h LEU 689 Cb 0.27 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jg4 h LEU 689 CO -0.21 1.14 -1.03 0.23 0.09 0.00 0.00 178.44 178.66 2jg4 n MET 690 N -3.81 0.40 -3.37 1.13 2.81 0.08 -4.80 117.12 109.56 2jg4 n MET 690 Ca -0.05 0.03 -0.38 0.00 -1.81 0.00 0.00 57.70 55.48 2jg4 n MET 690 Cb 0.76 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 2jg4 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2jg4 s THR 691 N -3.26 4.96 0.15 2.03 2.01 -0.78 -1.34 115.64 119.41 2jg4 s THR 691 Ca 0.02 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 62.77 2jg4 s THR 691 Cb 0.13 -3.81 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 2jg4 s THR 691 CO 0.79 0.51 1.60 -0.08 -0.69 0.00 0.00 174.62 176.76 2jg4 h GLU 692 N 5.10 -0.35 -5.29 4.92 4.81 -1.36 -3.41 114.58 119.00 2jg4 h GLU 692 Ca -0.49 0.02 -0.68 0.00 -0.13 0.00 0.00 59.36 58.09 2jg4 h GLU 692 Cb 1.21 0.08 -0.33 0.00 0.63 0.00 0.00 28.75 30.33 2jg4 h GLU 692 CO 0.65 -0.23 -0.88 0.08 -0.73 0.00 0.00 179.01 177.90 2jg4 s VAL 693 N -5.98 2.06 -0.30 0.32 1.01 -1.26 -5.04 120.40 111.21 2jg4 s VAL 693 Ca -0.15 -1.01 -0.13 0.00 0.00 0.00 0.00 61.98 60.69 2jg4 s VAL 693 Cb 0.11 -1.79 0.14 0.00 0.00 0.00 0.00 36.38 34.84 2jg4 s VAL 693 CO 0.66 0.56 0.81 0.00 0.00 0.00 0.00 175.10 177.13 2jg4 s ALA 694 N 0.50 -2.27 0.06 5.51 0.00 -1.26 -5.08 121.76 119.21 2jg4 s ALA 694 Ca -0.15 2.24 -0.20 0.00 0.00 0.00 0.00 51.96 53.86 2jg4 s ALA 694 Cb -0.17 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.07 2jg4 s ALA 694 CO 0.05 -0.79 0.59 -1.58 0.00 0.00 0.00 175.76 174.03 2jg4 s TRP 695 N 2.39 3.78 0.53 0.00 0.52 -1.26 -5.04 118.94 119.86 2jg4 s TRP 695 Ca -0.06 1.27 -0.10 0.00 0.02 0.00 0.00 56.10 57.23 2jg4 s TRP 695 Cb -0.08 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 2jg4 s TRP 695 CO -0.18 0.52 0.92 0.95 0.02 0.00 0.00 176.95 179.18 2jg4 s THR 696 N -0.86 4.74 0.46 2.01 -4.23 -1.26 -4.89 115.64 111.60 2jg4 s THR 696 Ca 0.30 0.73 0.14 0.00 -1.18 0.00 0.00 61.69 61.68 2jg4 s THR 696 Cb -0.19 -3.82 0.31 0.00 1.34 0.00 0.00 72.50 70.14 2jg4 s THR 696 CO 0.19 -0.90 2.04 0.11 -0.54 0.00 0.00 174.62 175.52 2jg4 h LYS 697 N 0.28 0.29 -0.52 3.99 1.79 -1.97 -0.22 116.57 120.21 2jg4 h LYS 697 Ca -0.46 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 57.90 2jg4 h LYS 697 Cb 1.19 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.76 2jg4 h LYS 697 CO 0.62 0.19 -0.05 -0.44 -1.08 0.00 0.00 179.45 178.70 2jg4 h ASP 698 N 0.30 0.94 -0.51 0.86 3.32 -1.95 -1.79 116.42 117.59 2jg4 h ASP 698 Ca 0.18 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 2jg4 h ASP 698 Cb 0.35 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2jg4 h ASP 698 CO -0.04 1.04 -0.12 -0.33 -1.72 0.00 0.00 179.24 178.08 2jg4 h GLU 699 N 0.82 0.97 -0.36 3.56 5.08 -1.56 -2.11 114.58 120.97 2jg4 h GLU 699 Ca 0.14 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2jg4 h GLU 699 Cb 0.59 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2jg4 h GLU 699 CO 0.04 1.04 0.19 -0.07 -1.00 0.00 0.00 179.01 179.21 2jg4 h LEU 700 N 0.84 0.46 -0.19 1.33 3.38 -1.04 -1.97 115.31 118.11 2jg4 h LEU 700 Ca 0.13 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2jg4 h LEU 700 Cb 0.68 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.32 2jg4 h LEU 700 CO 0.05 0.43 -0.83 0.07 0.09 0.00 0.00 178.44 178.26 2jg4 h LYS 701 N 0.46 0.66 -0.70 1.13 2.10 -1.28 -1.65 116.57 117.29 2jg4 h LYS 701 Ca 0.13 -0.58 0.05 0.00 -2.00 0.00 0.00 60.65 58.25 2jg4 h LYS 701 Cb 0.08 0.13 -0.05 0.00 -0.90 0.00 0.00 32.23 31.49 2jg4 h LYS 701 CO -0.02 1.19 0.41 1.49 -2.00 0.00 0.00 179.45 180.52 2jg4 h GLU 702 N 0.43 0.74 0.00 0.07 4.81 -1.39 -1.66 114.58 117.58 2jg4 h GLU 702 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2jg4 h GLU 702 Cb 1.45 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2jg4 h GLU 702 CO 0.16 0.49 0.00 0.00 -0.73 0.00 0.00 179.01 178.93 2jg4 n ALA 703 N -2.34 1.84 0.09 2.92 0.00 -0.74 -3.69 120.51 118.58 2jg4 n ALA 703 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 2jg4 n ALA 703 Cb 0.15 -1.38 0.26 0.00 0.00 0.00 0.00 19.45 18.48 2jg4 n ALA 703 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jg4 h LEU 704 N 0.00 0.28 -2.01 0.00 5.85 -0.31 -2.81 115.31 116.31 2jg4 h LEU 704 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2jg4 h LEU 704 Cb 0.43 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 2jg4 h LEU 704 CO 0.00 0.59 -0.10 0.44 -0.34 0.00 0.00 178.44 179.03 2jg4 h ASP 705 N 0.25 0.00 -0.00 1.25 5.19 -1.67 -2.17 116.42 119.27 2jg4 h ASP 705 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2jg4 h ASP 705 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 2jg4 h ASP 705 CO 0.05 0.10 0.00 0.47 -3.12 0.00 0.00 179.24 176.74 2jg4 n ASP 706 N -3.70 0.01 -4.48 6.45 8.00 -1.06 -4.74 116.55 117.03 2jg4 n ASP 706 Ca -0.02 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.70 2jg4 n ASP 706 Cb 0.21 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.25 2jg4 n ASP 706 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jg4 s VAL 707 N -2.00 4.79 0.28 2.53 1.01 -0.82 -4.99 120.40 121.20 2jg4 s VAL 707 Ca 0.31 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.22 2jg4 s VAL 707 Cb 0.14 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2jg4 s VAL 707 CO 0.24 -0.77 0.10 0.42 0.00 0.00 0.00 175.10 175.09 2jg4 s THR 708 N 2.88 3.63 0.13 3.92 -4.23 -1.26 -5.00 115.64 115.71 2jg4 s THR 708 Ca 0.20 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 58.80 2jg4 s THR 708 Cb -0.16 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.63 2jg4 s THR 708 CO 0.16 -0.32 1.68 0.25 -0.54 0.00 0.00 174.62 175.85 2jg4 h LEU 709 N 1.67 -0.37 -0.67 4.79 5.85 -2.00 -0.55 115.31 124.04 2jg4 h LEU 709 Ca -0.45 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.47 2jg4 h LEU 709 Cb 1.25 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.39 2jg4 h LEU 709 CO 0.61 -0.15 0.24 -0.65 -0.34 0.00 0.00 178.44 178.15 2jg4 h PRO 710 N -0.11 0.39 -0.80 5.25 0.11 -2.00 -1.73 132.00 133.11 2jg4 h PRO 710 Ca 0.11 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2jg4 h PRO 710 Cb 0.27 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 2jg4 h PRO 710 CO -0.25 0.26 0.37 -0.09 -0.21 0.00 0.00 178.00 178.07 2jg4 h ARG 711 N 0.40 1.16 -0.03 1.05 9.65 -1.74 -2.46 114.38 122.42 2jg4 h ARG 711 Ca 0.35 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 2jg4 h ARG 711 Cb 0.50 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.87 2jg4 h ARG 711 CO -0.37 0.91 -0.02 1.25 2.80 0.00 0.00 179.97 184.54 2jg4 h LEU 712 N 1.15 0.07 -1.31 3.80 6.46 -0.75 -2.19 115.31 122.54 2jg4 h LEU 712 Ca 0.27 -0.46 0.27 0.00 -0.12 0.00 0.00 57.88 57.85 2jg4 h LEU 712 Cb 0.14 -0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 39.95 2jg4 h LEU 712 CO -0.03 0.51 0.67 0.11 -0.62 0.00 0.00 178.44 179.08 2jg4 h LYS 713 N -0.38 0.39 -0.05 1.25 1.57 -1.22 0.24 116.57 118.38 2jg4 h LYS 713 Ca 0.01 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.54 2jg4 h LYS 713 Cb 0.49 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.72 2jg4 h LYS 713 CO 0.01 0.26 -0.88 0.00 -0.57 0.00 0.00 179.45 178.26 2jg4 h ALA 714 N 1.64 0.37 -0.25 3.86 0.00 -1.37 -3.34 119.26 120.18 2jg4 h ALA 714 Ca 0.62 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jg4 h ALA 714 Cb 1.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2jg4 h ALA 714 CO -0.33 0.76 0.12 0.35 0.00 0.00 0.00 179.25 180.14 2jg4 h PHE 715 N 0.32 0.36 0.04 0.00 3.57 -0.30 -3.17 116.94 117.76 2jg4 h PHE 715 Ca -0.07 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.44 2jg4 h PHE 715 Cb 1.50 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.09 2jg4 h PHE 715 CO 0.07 0.34 -0.33 0.82 -2.23 0.00 0.00 178.31 176.98 2jg4 h ILE 716 N 0.26 0.29 -0.37 1.41 2.04 -1.54 0.14 117.51 119.75 2jg4 h ILE 716 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2jg4 h ILE 716 Cb 0.12 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2jg4 h ILE 716 CO -0.01 0.00 0.24 -0.65 0.00 0.00 0.00 178.15 177.73 2jg4 h PRO 717 N -0.51 0.50 0.16 2.37 0.11 -1.73 -1.86 132.00 131.03 2jg4 h PRO 717 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2jg4 h PRO 717 Cb 0.57 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.58 2jg4 h PRO 717 CO -0.24 0.34 -0.08 0.37 -0.21 0.00 0.00 178.00 178.18 2jg4 h GLN 718 N 0.51 -0.21 -0.90 1.05 5.75 -1.15 -2.45 115.11 117.71 2jg4 h GLN 718 Ca 0.14 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.70 2jg4 h GLN 718 Cb -0.04 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 2jg4 h GLN 718 CO -0.03 -0.12 0.57 1.25 -2.65 0.00 0.00 178.83 177.85 2jg4 h LEU 719 N -0.25 0.91 -0.03 -2.39 6.46 -0.19 -2.94 115.31 116.89 2jg4 h LEU 719 Ca -0.02 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 2jg4 h LEU 719 Cb 0.19 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2jg4 h LEU 719 CO 0.04 0.60 -0.24 0.18 -0.62 0.00 0.00 178.44 178.40 2jg4 n LEU 720 N -4.57 0.29 0.09 2.25 4.77 -0.75 -4.19 117.00 114.88 2jg4 n LEU 720 Ca 0.13 0.21 -0.07 0.00 -0.03 0.00 0.00 56.01 56.25 2jg4 n LEU 720 Cb 0.15 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2jg4 n LEU 720 CO 0.32 0.07 0.30 0.77 -1.33 0.00 0.00 177.39 177.52 2jg4 h SER 721 N 0.08 0.19 -3.31 -1.43 4.64 -1.25 -3.37 113.55 109.10 2jg4 h SER 721 Ca 0.00 -0.14 -0.47 0.00 -0.47 0.00 0.00 61.79 60.70 2jg4 h SER 721 Cb 0.48 -0.06 -0.36 0.00 -0.31 0.00 0.00 62.40 62.16 2jg4 h SER 721 CO 0.00 0.92 -0.79 -0.13 -0.87 0.00 0.00 176.83 175.96 2jg4 s ARG 722 N -3.28 1.18 0.04 4.77 0.52 -1.26 0.21 118.95 121.13 2jg4 s ARG 722 Ca -0.02 -0.16 -0.01 0.00 -0.52 0.00 0.00 55.73 55.01 2jg4 s ARG 722 Cb 0.11 -1.22 -0.03 0.00 0.52 0.00 0.00 34.95 34.32 2jg4 s ARG 722 CO 0.81 -0.17 -0.02 -0.51 0.02 0.00 0.00 175.30 175.43 2jg4 s LEU 723 N 1.37 2.38 0.04 2.53 1.43 -0.96 -4.72 118.68 120.75 2jg4 s LEU 723 Ca -0.03 -0.87 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 2jg4 s LEU 723 Cb -0.14 0.22 -0.03 0.00 0.03 0.00 0.00 46.19 46.28 2jg4 s LEU 723 CO -0.03 -0.54 -0.23 -2.28 0.23 0.00 0.00 176.35 173.49 2jg4 s HIS 724 N -3.39 2.06 -0.08 0.29 5.65 -1.11 -2.51 115.29 116.20 2jg4 s HIS 724 Ca 0.02 -0.39 0.04 0.00 0.25 0.00 0.00 55.06 54.97 2jg4 s HIS 724 Cb 0.04 -1.24 0.00 0.00 -1.18 0.00 0.00 32.58 30.20 2jg4 s HIS 724 CO -0.08 0.10 -0.20 0.42 -0.65 0.00 0.00 174.74 174.33 2jg4 s ILE 725 N -0.78 1.70 -0.12 0.89 1.01 -0.16 -0.35 121.20 123.40 2jg4 s ILE 725 Ca 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.94 2jg4 s ILE 725 Cb -0.09 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2jg4 s ILE 725 CO 0.02 0.48 -0.15 -0.70 0.00 0.00 0.00 174.94 174.58 2jg4 s GLU 726 N 0.38 2.28 0.11 2.79 2.12 -0.59 -0.02 118.70 125.77 2jg4 s GLU 726 Ca -0.15 -0.58 0.06 0.00 0.36 0.00 0.00 54.97 54.67 2jg4 s GLU 726 Cb -0.16 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.22 2jg4 s GLU 726 CO 0.06 -0.10 -0.15 0.00 -0.54 0.00 0.00 175.26 174.52 2jg4 s ALA 727 N 1.11 1.47 -0.19 6.30 0.00 -0.25 -0.72 121.76 129.48 2jg4 s ALA 727 Ca -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2jg4 s ALA 727 Cb -0.14 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.90 2jg4 s ALA 727 CO -0.04 0.17 -0.09 -1.17 0.00 0.00 0.00 175.76 174.63 2jg4 s LEU 728 N -2.16 2.05 -0.21 0.00 0.20 0.09 -0.41 118.68 118.25 2jg4 s LEU 728 Ca 0.05 -0.80 -0.05 0.00 0.69 0.00 0.00 54.13 54.03 2jg4 s LEU 728 Cb -0.07 -1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 44.53 2jg4 s LEU 728 CO 0.03 -0.15 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.17 2jg4 s LEU 729 N 1.47 3.10 -0.16 -0.68 1.43 -0.44 -0.95 118.68 122.45 2jg4 s LEU 729 Ca -0.00 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.75 2jg4 s LEU 729 Cb -0.16 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.34 2jg4 s LEU 729 CO -0.08 0.02 0.35 -2.28 0.23 0.00 0.00 176.35 174.58 2jg4 s HIS 730 N 1.27 -0.60 -2.27 0.29 2.46 0.11 -1.80 115.29 114.75 2jg4 s HIS 730 Ca 0.04 1.24 0.00 0.00 0.47 0.00 0.00 55.06 56.80 2jg4 s HIS 730 Cb -0.15 0.15 0.00 0.00 -0.13 0.00 0.00 32.58 32.46 2jg4 s HIS 730 CO 0.00 -0.40 0.00 0.41 -2.47 0.00 0.00 174.74 172.28 2jg4 n GLY 731 N 5.17 0.21 2.62 1.59 0.00 -0.96 0.15 105.19 113.96 2jg4 n GLY 731 Ca -0.10 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 2jg4 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jg4 n ASN 732 N 0.00 5.90 -3.86 1.61 5.15 0.20 -0.81 115.26 123.44 2jg4 n ASN 732 Ca 0.00 -2.86 -0.11 0.00 -0.60 0.00 0.00 54.58 51.01 2jg4 n ASN 732 Cb 0.00 -1.56 -0.11 0.00 -0.53 0.00 0.00 39.78 37.58 2jg4 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2jg4 s ILE 733 N 1.85 0.05 0.67 -1.44 -4.36 -1.26 -4.85 121.20 111.86 2jg4 s ILE 733 Ca 0.52 -0.40 -0.11 0.00 -0.26 0.00 0.00 60.65 60.40 2jg4 s ILE 733 Cb 0.15 -0.31 -0.01 0.00 1.25 0.00 0.00 42.46 43.54 2jg4 s ILE 733 CO -0.06 -0.22 1.07 0.42 0.24 0.00 0.00 174.94 176.38 2jg4 s THR 734 N -0.73 4.03 0.23 8.37 -4.23 -1.26 -4.48 115.64 117.57 2jg4 s THR 734 Ca -0.08 0.66 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 2jg4 s THR 734 Cb -0.05 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.35 2jg4 s THR 734 CO 0.01 -0.86 1.80 0.50 -0.54 0.00 0.00 174.62 175.53 2jg4 h LYS 735 N -0.53 0.70 -0.48 3.99 3.64 -1.99 0.97 116.57 122.86 2jg4 h LYS 735 Ca -0.45 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.80 2jg4 h LYS 735 Cb 1.22 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2jg4 h LYS 735 CO 0.63 0.46 -0.07 1.96 -2.27 0.00 0.00 179.45 180.16 2jg4 h GLN 736 N 0.72 0.86 -0.52 1.90 1.08 -1.98 0.28 115.11 117.44 2jg4 h GLN 736 Ca 0.37 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 2jg4 h GLN 736 Cb 0.34 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2jg4 h GLN 736 CO -0.24 0.90 0.14 0.00 -0.95 0.00 0.00 178.83 178.67 2jg4 h ALA 737 N 1.14 0.69 0.37 3.87 0.00 -1.79 -0.02 119.26 123.51 2jg4 h ALA 737 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jg4 h ALA 737 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jg4 h ALA 737 CO 0.03 0.37 -0.18 0.00 0.00 0.00 0.00 179.25 179.47 2jg4 h ALA 738 N 1.01 -0.50 -0.98 0.00 0.00 -0.40 0.13 119.26 118.52 2jg4 h ALA 738 Ca 0.17 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2jg4 h ALA 738 Cb 0.32 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2jg4 h ALA 738 CO -0.00 -0.69 0.62 -0.07 0.00 0.00 0.00 179.25 179.10 2jg4 h LEU 739 N -0.68 0.83 -0.43 0.00 3.38 -0.99 -0.58 115.31 116.85 2jg4 h LEU 739 Ca -0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jg4 h LEU 739 Cb 0.48 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jg4 h LEU 739 CO 0.08 0.42 0.18 1.23 0.09 0.00 0.00 178.44 180.44 2jg4 h GLY 740 N 0.88 0.68 0.99 0.83 0.00 -0.51 -1.30 103.07 104.65 2jg4 h GLY 740 Ca 0.50 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 2jg4 h GLY 740 CO -0.27 0.34 -0.07 -2.22 0.00 0.00 0.00 176.54 174.33 2jg4 h ILE 741 N 0.55 1.27 -0.33 2.60 2.04 -0.18 -0.64 117.51 122.82 2jg4 h ILE 741 Ca 0.14 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 2jg4 h ILE 741 Cb 0.17 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2jg4 h ILE 741 CO -0.01 0.39 0.15 -0.03 0.00 0.00 0.00 178.15 178.65 2jg4 h MET 742 N 0.64 0.49 -0.41 2.37 4.05 -1.03 -1.89 114.93 119.15 2jg4 h MET 742 Ca 0.11 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 2jg4 h MET 742 Cb 0.59 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 2jg4 h MET 742 CO 0.04 0.47 -0.15 0.37 0.23 0.00 0.00 176.91 177.86 2jg4 h GLN 743 N 0.39 0.76 -0.52 0.39 5.75 -1.15 -2.44 115.11 118.29 2jg4 h GLN 743 Ca 0.11 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 58.39 2jg4 h GLN 743 Cb 0.15 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 2jg4 h GLN 743 CO -0.01 0.87 0.26 1.98 -2.65 0.00 0.00 178.83 179.28 2jg4 h MET 744 N 0.68 0.48 0.05 1.69 4.05 -0.87 0.57 114.93 121.59 2jg4 h MET 744 Ca 0.11 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.51 2jg4 h MET 744 Cb 0.64 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2jg4 h MET 744 CO 0.04 0.32 -0.09 0.28 0.23 0.00 0.00 176.91 177.69 2jg4 h VAL 745 N 0.50 0.77 0.22 -5.77 2.07 -0.99 -0.85 116.25 112.20 2jg4 h VAL 745 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2jg4 h VAL 745 Cb 0.16 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2jg4 h VAL 745 CO -0.17 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 176.86 2jg4 h GLU 746 N -0.19 -0.46 -0.82 1.57 5.08 -1.27 -2.34 114.58 116.15 2jg4 h GLU 746 Ca 0.02 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2jg4 h GLU 746 Cb 0.21 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2jg4 h GLU 746 CO -0.06 -0.31 0.53 -0.44 -1.00 0.00 0.00 179.01 177.74 2jg4 h ASP 747 N -0.48 0.65 -0.44 1.42 3.45 -0.80 0.20 116.42 120.42 2jg4 h ASP 747 Ca -0.00 0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.40 2jg4 h ASP 747 Cb 0.45 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2jg4 h ASP 747 CO -0.06 0.37 -0.05 0.74 -1.57 0.00 0.00 179.24 178.68 2jg4 h THR 748 N 0.71 1.27 0.06 0.35 2.02 -0.85 -0.16 112.91 116.32 2jg4 h THR 748 Ca 0.39 -1.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 2jg4 h THR 748 Cb 0.53 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2jg4 h THR 748 CO -0.16 0.39 -0.03 -0.07 0.37 0.00 0.00 175.52 176.02 2jg4 h LEU 749 N 0.65 -0.07 -0.42 2.58 3.38 -0.74 -2.29 115.31 118.41 2jg4 h LEU 749 Ca 0.12 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.88 2jg4 h LEU 749 Cb 0.56 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 2jg4 h LEU 749 CO 0.03 0.26 -0.18 0.40 0.09 0.00 0.00 178.44 179.04 2jg4 h ILE 750 N -0.41 0.44 -0.48 1.22 2.04 -0.66 0.45 117.51 120.11 2jg4 h ILE 750 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2jg4 h ILE 750 Cb 0.36 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2jg4 h ILE 750 CO 0.01 0.00 0.30 -0.08 0.00 0.00 0.00 178.15 178.39 2jg4 h GLU 751 N -0.10 0.63 0.00 2.37 4.81 -0.96 -1.94 114.58 119.39 2jg4 h GLU 751 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2jg4 h GLU 751 Cb 0.41 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2jg4 h GLU 751 CO -0.48 0.44 -1.80 0.72 -0.73 0.00 0.00 179.01 177.15 2jg4 n HIS 752 N -4.74 0.00 -0.16 0.92 8.25 -0.87 -4.55 115.22 114.08 2jg4 n HIS 752 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2jg4 n HIS 752 Cb 0.03 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.74 2jg4 n HIS 752 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jg4 n ALA 753 N -2.11 1.75 -1.26 -1.41 0.00 0.15 -4.81 120.51 112.82 2jg4 n ALA 753 Ca -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 2jg4 n ALA 753 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2jg4 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jg4 n HIS 754 N -0.27 0.00 -1.54 0.00 -0.00 -0.73 -4.52 115.22 108.16 2jg4 n HIS 754 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.72 57.13 2jg4 n HIS 754 Cb 0.04 -2.16 -0.08 0.00 -0.00 0.00 0.00 29.99 27.79 2jg4 n HIS 754 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 2jg4 n THR 755 N -2.45 0.00 -4.35 1.59 -1.04 -1.24 -4.92 114.28 101.87 2jg4 n THR 755 Ca -0.09 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 2jg4 n THR 755 Cb 0.44 -0.16 -0.08 0.00 -1.82 0.00 0.00 70.33 68.71 2jg4 n THR 755 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jg4 s LYS 756 N 0.44 2.06 1.03 -2.82 -0.14 0.13 -4.63 119.74 115.81 2jg4 s LYS 756 Ca 0.92 -1.65 -0.12 0.00 -1.36 0.00 0.00 55.97 53.76 2jg4 s LYS 756 Cb -1.26 -1.97 0.19 0.00 -1.68 0.00 0.00 37.83 33.11 2jg4 s LYS 756 CO 0.59 0.25 0.96 -2.30 -0.76 0.00 0.00 175.35 174.09 2jg4 n PRO 757 N -0.87 -1.23 -4.19 -1.68 -0.02 -1.26 -2.27 135.00 123.47 2jg4 n PRO 757 Ca -0.05 -0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 60.77 2jg4 n PRO 757 Cb 0.61 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 2jg4 n PRO 757 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2jg4 s LEU 758 N -5.99 3.83 0.47 2.45 2.96 -1.05 -4.54 118.68 116.82 2jg4 s LEU 758 Ca 0.66 0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 54.54 2jg4 s LEU 758 Cb -0.23 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 2jg4 s LEU 758 CO 0.62 0.35 1.28 0.18 -1.32 0.00 0.00 176.35 177.47 2jg4 n LEU 759 N 1.83 4.45 -0.31 -0.68 7.99 -1.26 -4.91 117.00 124.10 2jg4 n LEU 759 Ca -0.17 1.06 0.10 0.00 -0.01 0.00 0.00 56.01 56.99 2jg4 n LEU 759 Cb 0.54 -1.52 0.32 0.00 -0.11 0.00 0.00 43.42 42.65 2jg4 n LEU 759 CO 0.32 -0.68 1.22 -0.65 -1.51 0.00 0.00 177.39 176.09 2jg4 h PRO 760 N 1.83 0.79 0.00 3.23 0.11 -1.99 -1.67 132.00 134.31 2jg4 h PRO 760 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2jg4 h PRO 760 Cb 1.30 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jg4 h PRO 760 CO 0.59 0.52 0.00 -1.13 -0.21 0.00 0.00 178.00 177.77 2jg4 n SER 761 N -4.60 0.35 -0.37 -2.05 3.41 -1.26 -2.46 113.62 106.64 2jg4 n SER 761 Ca 0.18 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 2jg4 n SER 761 Cb 0.44 -0.65 0.55 0.00 -0.26 0.00 0.00 64.21 64.28 2jg4 n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jg4 n GLN 762 N -1.87 1.50 -1.89 4.33 6.02 -0.63 -4.50 117.38 120.34 2jg4 n GLN 762 Ca 0.03 -0.74 -0.40 0.00 -0.01 0.00 0.00 57.00 55.88 2jg4 n GLN 762 Cb 0.23 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 2jg4 n GLN 762 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jg4 n LEU 763 N -0.08 7.83 -4.65 1.08 4.77 -1.03 -4.81 117.00 120.12 2jg4 n LEU 763 Ca 0.18 -4.67 -0.43 0.00 -0.03 0.00 0.00 56.01 51.07 2jg4 n LEU 763 Cb 0.28 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 39.89 2jg4 n LEU 763 CO 0.15 1.85 1.14 -0.69 -1.33 0.00 0.00 177.39 178.50 2jg4 s VAL 764 N 0.25 4.16 -0.06 4.08 1.01 -1.26 -5.04 120.40 123.54 2jg4 s VAL 764 Ca 0.54 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.79 2jg4 s VAL 764 Cb 0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2jg4 s VAL 764 CO -0.07 -0.25 0.25 -0.13 0.00 0.00 0.00 175.10 174.90 2jg4 s ARG 765 N 3.83 3.61 0.41 2.72 1.81 -1.26 -5.01 118.95 125.05 2jg4 s ARG 765 Ca 0.57 0.04 -0.18 0.00 -1.72 0.00 0.00 55.73 54.44 2jg4 s ARG 765 Cb -0.21 -3.17 -0.10 0.00 -0.45 0.00 0.00 34.95 31.02 2jg4 s ARG 765 CO 0.19 0.73 0.88 0.71 -0.68 0.00 0.00 175.30 177.12 2jg4 s TYR 766 N -1.11 3.36 0.31 -0.53 4.12 -1.26 -5.06 117.35 117.18 2jg4 s TYR 766 Ca 0.20 1.43 0.07 0.00 0.02 0.00 0.00 57.07 58.79 2jg4 s TYR 766 Cb -0.14 -2.72 -0.02 0.00 -1.52 0.00 0.00 41.96 37.57 2jg4 s TYR 766 CO 0.09 -0.08 0.38 1.03 0.02 0.00 0.00 175.55 177.00 2jg4 s ARG 767 N -3.27 3.07 -0.07 -0.62 0.52 -1.26 -4.78 118.95 112.53 2jg4 s ARG 767 Ca 0.58 -1.03 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 2jg4 s ARG 767 Cb -0.10 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.60 2jg4 s ARG 767 CO 0.18 0.17 0.24 -2.00 0.02 0.00 0.00 175.30 173.91 2jg4 s GLU 768 N -4.06 3.62 0.25 3.54 2.12 -1.26 -0.89 118.70 122.02 2jg4 s GLU 768 Ca 0.41 0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 2jg4 s GLU 768 Cb -0.08 -3.20 -0.14 0.00 0.26 0.00 0.00 34.13 30.97 2jg4 s GLU 768 CO 0.29 0.75 1.24 0.28 -0.54 0.00 0.00 175.26 177.27 2jg4 n VAL 769 N 1.90 1.38 -3.53 3.70 0.31 -0.45 -1.56 118.33 120.08 2jg4 n VAL 769 Ca -0.18 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 2jg4 n VAL 769 Cb 0.54 -1.24 -0.11 0.00 -0.91 0.00 0.00 33.84 32.13 2jg4 n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2jg4 s GLN 770 N -0.94 2.96 0.30 5.55 0.74 0.09 -4.76 119.66 123.60 2jg4 s GLN 770 Ca 0.65 -1.01 -0.27 0.00 0.05 0.00 0.00 55.36 54.77 2jg4 s GLN 770 Cb -0.69 -3.85 -0.09 0.00 1.10 0.00 0.00 33.01 29.47 2jg4 s GLN 770 CO 0.55 -0.70 0.97 -0.51 -0.55 0.00 0.00 175.29 175.05 2jg4 s LEU 771 N 1.63 4.44 0.30 3.68 1.02 -1.26 -4.06 118.68 124.43 2jg4 s LEU 771 Ca 0.04 1.94 -0.29 0.00 0.02 0.00 0.00 54.13 55.84 2jg4 s LEU 771 Cb -0.19 -3.87 -0.10 0.00 0.02 0.00 0.00 46.19 42.06 2jg4 s LEU 771 CO 0.08 -0.05 1.33 -2.16 0.02 0.00 0.00 176.35 175.57 2jg4 s PRO 772 N -1.76 4.35 0.08 1.29 0.04 -1.26 -4.93 135.00 132.80 2jg4 s PRO 772 Ca 0.48 2.21 -0.37 0.00 0.04 0.00 0.00 61.00 63.36 2jg4 s PRO 772 Cb -0.23 -3.09 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 2jg4 s PRO 772 CO 0.29 -0.23 1.19 -0.25 0.04 0.00 0.00 177.00 178.03 2jg4 n ASP 773 N 1.27 0.92 0.00 6.66 10.43 -1.26 -1.39 116.55 133.18 2jg4 n ASP 773 Ca 0.02 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.51 2jg4 n ASP 773 Cb 0.42 -1.09 0.00 0.00 1.84 0.00 0.00 41.12 42.28 2jg4 n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2jg4 n ARG 774 N 1.99 0.00 -1.66 -1.24 1.74 0.22 -4.93 116.66 112.78 2jg4 n ARG 774 Ca 0.18 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 2jg4 n ARG 774 Cb 0.16 -2.72 0.05 0.00 -1.02 0.00 0.00 32.46 28.94 2jg4 n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jg4 s GLY 775 N -2.00 1.96 -0.15 -0.13 0.00 -0.49 -4.97 107.32 101.56 2jg4 s GLY 775 Ca 0.00 0.38 -0.06 0.00 0.00 0.00 0.00 44.72 45.05 2jg4 s GLY 775 CO 0.00 0.72 0.31 0.86 0.00 0.00 0.00 173.10 174.99 2jg4 s TRP 776 N -2.60 -0.51 0.07 1.90 -0.00 -1.26 -2.85 118.94 113.70 2jg4 s TRP 776 Ca 0.64 1.10 0.08 0.00 -0.00 0.00 0.00 56.10 57.92 2jg4 s TRP 776 Cb -0.18 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.33 2jg4 s TRP 776 CO 0.46 -0.37 -0.18 -0.06 -0.00 0.00 0.00 176.95 176.79 2jg4 s PHE 777 N 2.27 2.54 -0.05 5.86 0.40 -0.83 -1.18 117.98 127.00 2jg4 s PHE 777 Ca -0.01 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 2jg4 s PHE 777 Cb -0.12 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.01 2jg4 s PHE 777 CO -0.10 0.31 -0.16 0.08 0.70 0.00 0.00 175.22 176.05 2jg4 s VAL 778 N -1.02 1.36 -0.07 -0.44 1.01 -0.95 -0.88 120.40 119.41 2jg4 s VAL 778 Ca 0.16 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2jg4 s VAL 778 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2jg4 s VAL 778 CO 0.07 0.40 -0.24 -0.47 0.00 0.00 0.00 175.10 174.86 2jg4 s TYR 779 N 0.19 2.38 -0.06 5.22 5.04 0.87 -0.77 117.35 130.21 2jg4 s TYR 779 Ca -0.07 -0.79 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 2jg4 s TYR 779 Cb -0.12 -1.57 0.01 0.00 0.35 0.00 0.00 41.96 40.63 2jg4 s TYR 779 CO 0.03 -0.27 -0.12 -1.14 -1.34 0.00 0.00 175.55 172.71 2jg4 s GLN 780 N 0.01 1.65 0.26 4.97 0.74 -1.26 -0.32 119.66 125.71 2jg4 s GLN 780 Ca -0.08 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 54.95 2jg4 s GLN 780 Cb -0.15 -1.38 -0.05 0.00 1.10 0.00 0.00 33.01 32.54 2jg4 s GLN 780 CO 0.05 0.02 0.12 -0.65 -0.55 0.00 0.00 175.29 174.27 2jg4 s GLN 781 N 0.70 1.41 -0.06 1.67 -1.52 -0.13 -4.99 119.66 116.74 2jg4 s GLN 781 Ca -0.14 -1.77 0.03 0.00 -1.95 0.00 0.00 55.36 51.53 2jg4 s GLN 781 Cb -0.16 -0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.49 2jg4 s GLN 781 CO 0.03 -0.35 -0.14 0.50 -0.25 0.00 0.00 175.29 175.08 2jg4 s ARG 782 N -4.01 2.66 -0.25 2.91 3.52 -1.26 0.03 118.95 122.55 2jg4 s ARG 782 Ca 0.38 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 55.11 2jg4 s ARG 782 Cb 0.07 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 2jg4 s ARG 782 CO 0.14 0.55 0.43 1.21 -0.81 0.00 0.00 175.30 176.82 2jg4 s ASN 783 N -0.53 6.37 0.00 -2.12 2.47 0.30 -4.86 114.94 116.58 2jg4 s ASN 783 Ca 0.07 0.44 0.28 0.00 0.42 0.00 0.00 52.86 54.07 2jg4 s ASN 783 Cb -0.12 -2.24 0.97 0.00 -1.45 0.00 0.00 41.25 38.41 2jg4 s ASN 783 CO 0.01 -0.19 1.70 -1.84 -3.72 0.00 0.00 177.10 173.06 2jg4 n GLU 784 N 5.17 1.67 -0.09 0.43 0.28 -1.26 -2.12 120.64 124.72 2jg4 n GLU 784 Ca -0.07 -1.01 -0.18 0.00 -0.16 0.00 0.00 57.16 55.74 2jg4 n GLU 784 Cb 0.50 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.83 2jg4 n GLU 784 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2jg4 n VAL 785 N 0.21 1.15 -3.20 3.84 0.31 -1.26 -4.86 118.33 114.52 2jg4 n VAL 785 Ca 0.18 -0.18 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2jg4 n VAL 785 Cb 0.37 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.40 2jg4 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2jg4 s HIS 786 N -2.42 3.77 -0.76 3.52 3.76 -1.26 -4.86 115.29 117.04 2jg4 s HIS 786 Ca -0.26 1.33 -0.02 0.00 -0.15 0.00 0.00 55.06 55.95 2jg4 s HIS 786 Cb 0.09 -2.55 0.31 0.00 1.11 0.00 0.00 32.58 31.55 2jg4 s HIS 786 CO 0.34 0.50 2.15 -1.71 -0.85 0.00 0.00 174.74 175.17 2jg4 n ASN 787 N 1.37 7.37 -4.24 1.40 5.15 -1.26 -0.78 115.26 124.26 2jg4 n ASN 787 Ca -0.07 -3.72 -0.14 0.00 -0.60 0.00 0.00 54.58 50.05 2jg4 n ASN 787 Cb 0.51 -1.08 -0.10 0.00 -0.53 0.00 0.00 39.78 38.57 2jg4 n ASN 787 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2jg4 s ASN 788 N -0.92 1.44 0.28 1.20 -0.87 -1.26 -4.82 114.94 109.99 2jg4 s ASN 788 Ca 0.54 -1.10 0.04 0.00 -1.57 0.00 0.00 52.86 50.78 2jg4 s ASN 788 Cb 0.44 0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.70 2jg4 s ASN 788 CO -0.33 -0.47 0.42 0.00 -2.57 0.00 0.00 177.10 174.14 2jg4 s GLY 790 N -4.02 0.58 -0.03 0.00 0.00 -0.02 -1.28 107.32 102.55 2jg4 s GLY 790 Ca 0.37 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 2jg4 s GLY 790 CO 0.31 -0.79 0.08 -1.50 0.00 0.00 0.00 173.10 171.19 2jg4 s ILE 791 N -1.17 -0.01 -0.09 0.90 2.07 -0.55 -0.26 121.20 122.10 2jg4 s ILE 791 Ca -0.06 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2jg4 s ILE 791 Cb -0.09 -0.12 0.01 0.00 0.13 0.00 0.00 42.46 42.39 2jg4 s ILE 791 CO 0.01 0.01 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.19 2jg4 s GLU 792 N 0.14 2.19 -0.17 3.50 2.12 -0.84 -1.88 118.70 123.77 2jg4 s GLU 792 Ca -0.01 -0.57 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 2jg4 s GLU 792 Cb -0.02 -1.78 -0.00 0.00 0.26 0.00 0.00 34.13 32.59 2jg4 s GLU 792 CO -0.00 0.02 -0.14 0.42 -0.54 0.00 0.00 175.26 175.02 2jg4 s ILE 793 N 0.72 2.76 -0.23 -3.70 1.01 -0.28 -1.18 121.20 120.30 2jg4 s ILE 793 Ca -0.12 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2jg4 s ILE 793 Cb -0.16 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.17 2jg4 s ILE 793 CO 0.03 0.50 -0.13 -0.47 0.00 0.00 0.00 174.94 174.87 2jg4 s TYR 794 N 0.93 3.05 -0.92 3.97 5.04 0.76 -1.04 117.35 129.14 2jg4 s TYR 794 Ca -0.03 -1.88 -0.13 0.00 -2.44 0.00 0.00 57.07 52.59 2jg4 s TYR 794 Cb -0.15 -1.96 0.23 0.00 0.35 0.00 0.00 41.96 40.42 2jg4 s TYR 794 CO -0.02 -0.81 0.90 0.71 -1.34 0.00 0.00 175.55 174.99 2jg4 s TYR 795 N 1.23 3.84 0.33 4.97 1.51 0.60 -0.91 117.35 128.92 2jg4 s TYR 795 Ca -0.02 -2.13 -0.29 0.00 -1.01 0.00 0.00 57.07 53.63 2jg4 s TYR 795 Cb -0.17 -3.87 -0.11 0.00 -0.11 0.00 0.00 41.96 37.70 2jg4 s TYR 795 CO -0.08 -1.03 1.53 -1.14 -1.11 0.00 0.00 175.55 173.72 2jg4 s GLN 796 N 0.03 4.13 0.00 -0.62 0.74 0.58 -1.17 119.66 123.35 2jg4 s GLN 796 Ca 0.23 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.19 2jg4 s GLN 796 Cb -0.09 -3.00 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2jg4 s GLN 796 CO -0.09 -0.56 0.00 0.25 -0.55 0.00 0.00 175.29 174.34 2jg4 n THR 797 N 1.31 0.00 -3.23 -0.34 -2.24 0.22 -4.04 114.28 105.95 2jg4 n THR 797 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2jg4 n THR 797 Cb 0.38 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 2jg4 n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jg4 n ASP 798 N -0.82 -0.44 -4.74 3.42 -0.08 -1.23 -5.00 116.55 107.64 2jg4 n ASP 798 Ca 0.00 -1.34 -0.35 0.00 -1.51 0.00 0.00 54.79 51.59 2jg4 n ASP 798 Cb 0.00 0.75 0.06 0.00 2.34 0.00 0.00 41.12 44.27 2jg4 n ASP 798 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2jg4 s MET 799 N -2.04 2.60 0.33 -0.67 -1.94 -1.26 -2.38 119.30 113.94 2jg4 s MET 799 Ca 0.04 1.78 -0.29 0.00 -1.71 0.00 0.00 55.69 55.51 2jg4 s MET 799 Cb -0.01 -1.89 -0.11 0.00 2.01 0.00 0.00 34.83 34.84 2jg4 s MET 799 CO 0.03 -1.49 1.40 -0.65 -0.01 0.00 0.00 175.02 174.30 2jg4 s GLN 800 N -3.64 4.25 -0.01 2.03 -0.21 0.14 -4.78 119.66 117.45 2jg4 s GLN 800 Ca 0.76 2.36 -0.29 0.00 0.02 0.00 0.00 55.36 58.20 2jg4 s GLN 800 Cb -0.29 -3.04 0.10 0.00 1.00 0.00 0.00 33.01 30.78 2jg4 s GLN 800 CO 0.39 -0.35 0.97 -1.54 -2.12 0.00 0.00 175.29 172.64 2jg4 s SER 801 N -0.20 -0.28 0.23 5.90 1.04 -1.26 -4.97 113.70 114.14 2jg4 s SER 801 Ca 0.52 -0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.71 2jg4 s SER 801 Cb -0.43 0.35 0.24 0.00 0.10 0.00 0.00 66.02 66.28 2jg4 s SER 801 CO 0.55 -0.59 1.56 0.74 0.98 0.00 0.00 173.24 176.48 2jg4 h THR 802 N 2.00 0.04 0.19 2.02 2.02 -1.99 0.20 112.91 117.39 2jg4 h THR 802 Ca -0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2jg4 h THR 802 Cb 1.23 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2jg4 h THR 802 CO 0.29 0.00 -0.09 0.77 0.37 0.00 0.00 175.52 176.86 2jg4 h SER 803 N -0.03 -0.21 -0.63 4.18 4.64 -1.97 -2.81 113.55 116.72 2jg4 h SER 803 Ca 0.34 -0.32 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 2jg4 h SER 803 Cb 0.60 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 2jg4 h SER 803 CO -0.93 0.28 0.42 -0.33 -0.87 0.00 0.00 176.83 175.39 2jg4 h GLU 804 N -0.80 0.60 0.06 4.77 4.39 -1.79 -1.72 114.58 120.11 2jg4 h GLU 804 Ca -0.03 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2jg4 h GLU 804 Cb 0.52 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2jg4 h GLU 804 CO 0.04 0.40 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.35 2jg4 h ASN 805 N 0.62 -0.07 0.20 1.42 -0.26 -0.63 -2.79 115.58 114.07 2jg4 h ASN 805 Ca 0.27 -0.14 -0.16 0.00 -0.56 0.00 0.00 56.30 55.71 2jg4 h ASN 805 Cb 0.27 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 2jg4 h ASN 805 CO -0.08 0.10 -0.61 0.24 -1.06 0.00 0.00 177.43 176.02 2jg4 h MET 806 N -0.25 0.40 0.23 0.81 2.86 -1.20 0.13 114.93 117.92 2jg4 h MET 806 Ca -0.01 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 2jg4 h MET 806 Cb 0.21 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2jg4 h MET 806 CO 0.01 0.89 -0.29 0.74 1.06 0.00 0.00 176.91 179.32 2jg4 h PHE 807 N 0.30 -0.78 -0.77 -0.22 0.05 -1.37 0.16 116.94 114.31 2jg4 h PHE 807 Ca -0.01 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.82 2jg4 h PHE 807 Cb 1.15 0.31 -0.05 0.00 2.00 0.00 0.00 35.95 39.36 2jg4 h PHE 807 CO 0.04 -0.41 0.49 1.25 -0.18 0.00 0.00 178.31 179.49 2jg4 h LEU 808 N -0.58 0.81 -0.40 1.54 5.85 -1.31 -2.17 115.31 119.06 2jg4 h LEU 808 Ca 0.00 -0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.54 2jg4 h LEU 808 Cb 0.55 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 2jg4 h LEU 808 CO -0.10 0.56 -0.59 -0.33 -0.34 0.00 0.00 178.44 177.64 2jg4 h GLU 809 N 0.96 0.66 -0.46 1.25 5.08 -0.72 -1.59 114.58 119.76 2jg4 h GLU 809 Ca 0.31 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2jg4 h GLU 809 Cb 0.01 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2jg4 h GLU 809 CO -0.11 1.06 0.07 1.25 -1.00 0.00 0.00 179.01 180.28 2jg4 h LEU 810 N 0.50 0.73 -0.59 1.33 6.46 -0.51 -1.18 115.31 122.06 2jg4 h LEU 810 Ca 0.00 -0.26 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2jg4 h LEU 810 Cb 1.16 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 2jg4 h LEU 810 CO 0.12 0.81 0.39 0.15 -0.62 0.00 0.00 178.44 179.28 2jg4 h PHE 811 N 0.63 0.73 -0.61 1.25 3.04 -1.26 -1.34 116.94 119.38 2jg4 h PHE 811 Ca 0.14 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 2jg4 h PHE 811 Cb 0.39 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2jg4 h PHE 811 CO 0.03 0.45 0.11 0.00 -2.02 0.00 0.00 178.31 176.88 2jg4 h GLN 813 N 0.92 -0.18 -0.97 0.00 5.75 -0.77 0.20 115.11 120.07 2jg4 h GLN 813 Ca 0.19 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.71 2jg4 h GLN 813 Cb 0.39 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.93 2jg4 h GLN 813 CO 0.01 -0.12 0.64 0.82 -2.65 0.00 0.00 178.83 177.53 2jg4 h ILE 814 N -0.18 1.24 -0.00 2.39 2.04 -0.98 -3.05 117.51 118.96 2jg4 h ILE 814 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2jg4 h ILE 814 Cb 0.21 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2jg4 h ILE 814 CO -0.07 0.24 -0.59 2.30 0.00 0.00 0.00 178.15 180.03 2jg4 n ILE 815 N -4.42 0.00 0.18 -0.67 -5.35 -0.31 -4.53 119.36 104.27 2jg4 n ILE 815 Ca 0.11 -0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.43 2jg4 n ILE 815 Cb 0.02 0.40 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 2jg4 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2jg4 h SER 816 N 0.04 -1.33 0.53 7.28 0.87 -0.48 -0.35 113.55 120.11 2jg4 h SER 816 Ca 0.00 0.13 -0.29 0.00 -1.23 0.00 0.00 61.79 60.40 2jg4 h SER 816 Cb 0.50 0.47 0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2jg4 h SER 816 CO 0.00 -0.56 -1.36 1.05 -0.53 0.00 0.00 176.83 175.43 2jg4 h GLU 817 N -0.79 0.31 -0.86 2.24 -0.00 -1.81 -3.04 114.58 110.63 2jg4 h GLU 817 Ca -0.01 -0.52 0.20 0.00 -0.00 0.00 0.00 59.36 59.02 2jg4 h GLU 817 Cb 0.76 0.19 -0.06 0.00 -0.00 0.00 0.00 28.75 29.64 2jg4 h GLU 817 CO -0.18 1.22 0.58 -1.35 -0.00 0.00 0.00 179.01 179.28 2jg4 h PRO 818 N 0.08 0.35 0.24 1.06 0.11 -1.78 0.19 132.00 132.26 2jg4 h PRO 818 Ca -0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 2jg4 h PRO 818 Cb 2.01 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 33.05 2jg4 h PRO 818 CO 0.20 0.23 -0.11 0.00 -0.21 0.00 0.00 178.00 178.11 2jg4 h PHE 820 N -0.66 -0.05 -0.60 0.00 3.57 -1.33 -0.23 116.94 117.63 2jg4 h PHE 820 Ca -0.03 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2jg4 h PHE 820 Cb 0.47 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 2jg4 h PHE 820 CO 0.03 -0.12 0.32 -0.97 -2.23 0.00 0.00 178.31 175.34 2jg4 h ASN 821 N 0.10 0.77 0.05 0.41 -0.73 -0.52 -0.83 115.58 114.83 2jg4 h ASN 821 Ca 0.24 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 2jg4 h ASN 821 Cb 0.36 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2jg4 h ASN 821 CO -0.41 0.66 -0.02 0.74 -0.37 0.00 0.00 177.43 178.02 2jg4 h THR 822 N 0.82 1.26 0.00 -3.57 2.02 -0.60 0.15 112.91 112.99 2jg4 h THR 822 Ca 0.21 -1.62 -0.20 0.00 0.77 0.00 0.00 66.41 65.57 2jg4 h THR 822 Cb 0.07 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 2jg4 h THR 822 CO -0.03 0.37 -1.09 -0.07 0.37 0.00 0.00 175.52 175.07 2jg4 h LEU 823 N -0.86 0.00 0.00 2.58 4.07 -1.11 -0.05 115.31 119.94 2jg4 h LEU 823 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2jg4 h LEU 823 Cb 0.66 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2jg4 h LEU 823 CO 0.01 0.86 -0.35 -1.14 -1.08 0.00 0.00 178.44 176.74 2jg4 n ARG 824 N -3.22 0.19 0.23 1.13 0.63 -0.36 -1.69 116.66 113.57 2jg4 n ARG 824 Ca -0.04 0.08 -0.15 0.00 -0.92 0.00 0.00 57.85 56.82 2jg4 n ARG 824 Cb 0.91 -0.84 -0.08 0.00 0.45 0.00 0.00 32.46 32.91 2jg4 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2jg4 h THR 825 N -0.36 0.63 0.22 5.15 2.02 -1.06 0.86 112.91 120.37 2jg4 h THR 825 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2jg4 h THR 825 Cb 0.35 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2jg4 h THR 825 CO 0.00 0.01 -0.11 0.11 0.37 0.00 0.00 175.52 175.90 2jg4 h LYS 826 N -0.53 -0.28 0.00 6.66 1.57 -0.79 -3.37 116.57 119.81 2jg4 h LYS 826 Ca -0.05 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jg4 h LYS 826 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2jg4 h LYS 826 CO 0.09 -0.19 0.00 0.93 -0.57 0.00 0.00 179.45 179.71 2jg4 h GLU 827 N -0.58 0.00 -6.56 3.15 5.08 -1.06 -3.47 114.58 111.14 2jg4 h GLU 827 Ca -0.03 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.82 2jg4 h GLU 827 Cb 0.23 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 2jg4 h GLU 827 CO 0.05 0.00 -0.86 1.04 -1.00 0.00 0.00 179.01 178.24 2jg4 n GLN 828 N -2.32 -3.44 -0.12 2.33 1.13 0.30 -4.87 117.38 110.39 2jg4 n GLN 828 Ca 0.05 0.41 -0.08 0.00 -1.94 0.00 0.00 57.00 55.44 2jg4 n GLN 828 Cb 0.43 -4.78 0.07 0.00 0.11 0.00 0.00 30.24 26.07 2jg4 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2jg4 h LEU 829 N -1.76 0.86 -7.58 1.08 3.38 -1.49 -3.47 115.31 106.34 2jg4 h LEU 829 Ca -0.61 -0.29 0.35 0.00 0.09 0.00 0.00 57.88 57.41 2jg4 h LEU 829 Cb 1.38 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 2jg4 h LEU 829 CO 0.68 1.02 0.90 -0.83 0.09 0.00 0.00 178.44 180.29 2jg4 s GLY 830 N -3.77 -0.28 0.06 0.83 0.00 -1.26 -4.21 107.32 98.68 2jg4 s GLY 830 Ca -0.10 0.39 -0.20 0.00 0.00 0.00 0.00 44.72 44.82 2jg4 s GLY 830 CO 0.84 3.04 1.40 -2.75 0.00 0.00 0.00 173.10 175.64 2jg4 h PHE 831 N 2.00 0.45 -3.33 1.90 3.57 -1.80 -3.41 116.94 116.32 2jg4 h PHE 831 Ca -0.27 -0.12 -0.61 0.00 3.53 0.00 0.00 57.97 60.51 2jg4 h PHE 831 Cb 1.19 -0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.71 2jg4 h PHE 831 CO 0.89 0.71 0.55 0.42 -2.23 0.00 0.00 178.31 178.64 2jg4 s ILE 832 N -4.53 4.43 -0.11 1.41 1.01 -1.26 -4.97 121.20 117.18 2jg4 s ILE 832 Ca -0.14 0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.87 2jg4 s ILE 832 Cb 0.06 -4.50 0.04 0.00 0.01 0.00 0.00 42.46 38.07 2jg4 s ILE 832 CO 0.75 -1.02 0.04 -0.69 0.00 0.00 0.00 174.94 174.02 2jg4 s VAL 833 N 3.84 0.20 -0.01 2.92 1.01 -1.26 -2.10 120.40 125.00 2jg4 s VAL 833 Ca 0.32 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2jg4 s VAL 833 Cb -0.12 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 2jg4 s VAL 833 CO 0.21 0.04 -0.05 0.12 0.00 0.00 0.00 175.10 175.42 2jg4 s PHE 834 N 2.03 0.50 0.08 5.22 5.36 0.11 -4.84 117.98 126.43 2jg4 s PHE 834 Ca 0.03 -0.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 2jg4 s PHE 834 Cb -0.14 -0.33 -0.03 0.00 -0.34 0.00 0.00 43.02 42.18 2jg4 s PHE 834 CO -0.06 -0.02 0.03 -1.54 -1.46 0.00 0.00 175.22 172.17 2jg4 s SER 835 N -0.07 0.39 0.00 6.13 1.04 -1.26 -0.79 113.70 119.14 2jg4 s SER 835 Ca 0.01 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2jg4 s SER 835 Cb -0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.34 2jg4 s SER 835 CO -0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.17 2jg4 n GLY 836 N 0.03 -1.48 3.77 7.32 0.00 -1.01 -5.01 105.19 108.81 2jg4 n GLY 836 Ca -0.12 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2jg4 n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jg4 s PRO 837 N -1.71 3.80 -0.18 1.61 0.02 -1.26 -1.73 135.00 135.56 2jg4 s PRO 837 Ca 0.00 2.01 -0.03 0.00 0.02 0.00 0.00 61.00 62.99 2jg4 s PRO 837 Cb 0.00 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 2jg4 s PRO 837 CO 0.00 -0.58 -0.04 0.50 -0.33 0.00 0.00 177.00 176.54 2jg4 s ARG 838 N -2.47 3.55 -0.10 5.54 3.52 0.11 -4.79 118.95 124.30 2jg4 s ARG 838 Ca 0.61 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.67 2jg4 s ARG 838 Cb -0.34 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2jg4 s ARG 838 CO 0.43 0.08 -0.18 1.03 -0.81 0.00 0.00 175.30 175.85 2jg4 s ARG 839 N 0.77 2.48 -0.27 5.12 3.00 -1.26 -1.90 118.95 126.88 2jg4 s ARG 839 Ca -0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 55.73 54.81 2jg4 s ARG 839 Cb -0.15 -2.00 0.08 0.00 0.00 0.00 0.00 34.95 32.89 2jg4 s ARG 839 CO 0.02 0.03 0.76 0.00 0.00 0.00 0.00 175.30 176.11 2jg4 s ALA 840 N 0.71 -1.84 -1.13 2.13 0.00 -0.67 -4.96 121.76 116.00 2jg4 s ALA 840 Ca -0.12 2.10 0.00 0.00 0.00 0.00 0.00 51.96 53.94 2jg4 s ALA 840 Cb -0.16 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2jg4 s ALA 840 CO 0.02 -0.33 0.00 0.09 0.00 0.00 0.00 175.76 175.54 2jg4 n ASN 841 N 2.99 -3.49 0.00 0.00 3.02 -1.26 -0.32 115.26 116.20 2jg4 n ASN 841 Ca -0.15 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2jg4 n ASN 841 Cb 0.56 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 2jg4 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jg4 n GLY 842 N -0.53 0.81 3.75 7.41 0.00 -1.26 -4.54 105.19 110.82 2jg4 n GLY 842 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2jg4 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg4 s ILE 843 N -3.20 3.13 0.29 -0.61 -1.09 0.56 -0.68 121.20 119.59 2jg4 s ILE 843 Ca 0.00 -1.65 -0.10 0.00 -2.23 0.00 0.00 60.65 56.67 2jg4 s ILE 843 Cb 0.00 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2jg4 s ILE 843 CO 0.00 -0.19 0.50 0.00 -1.23 0.00 0.00 174.94 174.02 2jg4 s GLN 844 N -3.86 1.71 0.00 2.79 -2.07 -1.00 -1.67 119.66 115.55 2jg4 s GLN 844 Ca 0.38 -1.42 0.00 0.00 -1.82 0.00 0.00 55.36 52.50 2jg4 s GLN 844 Cb -0.03 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2jg4 s GLN 844 CO 0.23 -0.72 0.00 0.41 -1.32 0.00 0.00 175.29 173.89 2jg4 n GLY 845 N -0.44 -1.28 3.82 2.60 0.00 -0.80 -0.61 105.19 108.47 2jg4 n GLY 845 Ca -0.01 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 2jg4 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jg4 s LEU 846 N 0.00 4.34 0.05 0.99 0.20 -0.32 0.06 118.68 124.00 2jg4 s LEU 846 Ca 0.00 0.48 0.06 0.00 0.69 0.00 0.00 54.13 55.36 2jg4 s LEU 846 Cb 0.00 -2.18 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 2jg4 s LEU 846 CO 0.00 0.30 -0.17 0.00 -0.29 0.00 0.00 176.35 176.19 2jg4 s ARG 847 N -0.50 1.13 -0.05 1.98 1.70 -0.70 -0.29 118.95 122.22 2jg4 s ARG 847 Ca 0.15 -0.87 0.05 0.00 -0.47 0.00 0.00 55.73 54.59 2jg4 s ARG 847 Cb -0.12 -1.20 -0.02 0.00 -0.57 0.00 0.00 34.95 33.03 2jg4 s ARG 847 CO 0.04 0.30 -0.18 -0.06 -1.08 0.00 0.00 175.30 174.32 2jg4 s PHE 848 N -0.86 2.59 -0.07 5.89 0.40 -0.21 -2.41 117.98 123.31 2jg4 s PHE 848 Ca 0.04 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2jg4 s PHE 848 Cb -0.08 -1.61 0.02 0.00 0.51 0.00 0.00 43.02 41.86 2jg4 s PHE 848 CO 0.02 0.07 -0.08 0.42 0.70 0.00 0.00 175.22 176.35 2jg4 s ILE 849 N -0.59 0.86 -0.00 0.64 1.01 0.03 -1.12 121.20 122.02 2jg4 s ILE 849 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2jg4 s ILE 849 Cb -0.11 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.51 2jg4 s ILE 849 CO 0.01 0.31 -0.06 -0.63 0.00 0.00 0.00 174.94 174.57 2jg4 s ILE 850 N 1.07 0.45 -0.16 2.92 1.01 -0.79 -0.71 121.20 124.99 2jg4 s ILE 850 Ca -0.08 -0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2jg4 s ILE 850 Cb -0.14 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 2jg4 s ILE 850 CO -0.01 0.11 -0.12 -1.58 0.00 0.00 0.00 174.94 173.34 2jg4 s GLN 851 N -0.19 3.34 0.07 2.79 0.74 -0.89 -1.48 119.66 124.04 2jg4 s GLN 851 Ca 0.02 -0.69 -0.10 0.00 0.05 0.00 0.00 55.36 54.63 2jg4 s GLN 851 Cb -0.02 -2.72 0.01 0.00 1.10 0.00 0.00 33.01 31.37 2jg4 s GLN 851 CO -0.00 0.06 0.23 0.45 -0.55 0.00 0.00 175.29 175.48 2jg4 s SER 852 N 0.74 0.02 0.24 6.67 0.15 -0.40 -4.20 113.70 116.92 2jg4 s SER 852 Ca -0.05 -0.47 0.12 0.00 0.70 0.00 0.00 55.95 56.25 2jg4 s SER 852 Cb -0.15 0.34 0.10 0.00 -1.71 0.00 0.00 66.02 64.60 2jg4 s SER 852 CO 0.01 -0.68 1.45 -0.08 1.20 0.00 0.00 173.24 175.15 2jg4 h GLU 853 N 2.97 0.00 -6.99 5.44 4.81 -1.86 0.80 114.58 119.74 2jg4 h GLU 853 Ca -0.33 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.39 2jg4 h GLU 853 Cb 1.20 0.00 0.07 0.00 0.63 0.00 0.00 28.75 30.65 2jg4 h GLU 853 CO 0.52 0.67 0.50 0.15 -0.73 0.00 0.00 179.01 180.12 2jg4 s LYS 854 N -3.04 3.76 0.57 1.92 -0.14 -1.26 -4.70 119.74 116.86 2jg4 s LYS 854 Ca 0.02 1.84 -0.18 0.00 -1.36 0.00 0.00 55.97 56.29 2jg4 s LYS 854 Cb 0.09 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.75 2jg4 s LYS 854 CO 0.76 -0.56 1.11 -1.25 -0.76 0.00 0.00 175.35 174.65 2jg4 s PRO 855 N -2.63 3.24 0.29 -1.68 0.04 -1.26 -4.61 135.00 128.39 2jg4 s PRO 855 Ca 0.63 1.52 0.02 0.00 0.04 0.00 0.00 61.00 63.21 2jg4 s PRO 855 Cb -0.30 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 32.81 2jg4 s PRO 855 CO 0.37 -0.92 1.86 -1.35 0.04 0.00 0.00 177.00 176.99 2jg4 h PRO 856 N 0.88 0.95 -0.17 0.56 0.11 -1.89 -0.69 132.00 131.75 2jg4 h PRO 856 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 2jg4 h PRO 856 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2jg4 h PRO 856 CO 0.56 0.63 0.05 1.12 -0.21 0.00 0.00 178.00 180.15 2jg4 h HIS 857 N 0.98 0.22 0.00 0.65 2.07 -1.86 0.35 115.15 117.56 2jg4 h HIS 857 Ca 0.47 -0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.98 2jg4 h HIS 857 Cb 0.45 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.35 2jg4 h HIS 857 CO -0.00 0.20 -0.00 -0.92 -3.07 0.00 0.00 177.93 174.14 2jg4 h TYR 858 N 0.23 -0.00 -0.69 6.12 3.20 -1.53 -3.08 116.97 121.22 2jg4 h TYR 858 Ca 0.06 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.08 2jg4 h TYR 858 Cb 0.08 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.23 2jg4 h TYR 858 CO 0.00 0.62 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.03 2jg4 h LEU 859 N -0.63 -0.39 -0.14 2.82 4.07 -0.77 -2.37 115.31 117.90 2jg4 h LEU 859 Ca -0.00 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.19 2jg4 h LEU 859 Cb 0.62 0.34 -0.06 0.00 1.08 0.00 0.00 40.66 42.64 2jg4 h LEU 859 CO 0.00 -0.17 -0.27 -0.08 -1.08 0.00 0.00 178.44 176.84 2jg4 h GLU 860 N 0.08 -0.33 -0.15 1.13 4.57 -0.34 -2.05 114.58 117.50 2jg4 h GLU 860 Ca 0.36 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.52 2jg4 h GLU 860 Cb 0.60 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 2jg4 h GLU 860 CO -0.63 -0.22 -0.12 0.66 -1.18 0.00 0.00 179.01 177.53 2jg4 h SER 861 N -0.34 0.21 -0.61 1.04 4.64 -1.35 -1.70 113.55 115.45 2jg4 h SER 861 Ca 0.10 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.29 2jg4 h SER 861 Cb 0.50 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2jg4 h SER 861 CO -0.34 0.36 0.02 0.03 -0.87 0.00 0.00 176.83 176.03 2jg4 h ARG 862 N 0.22 1.07 -0.57 4.77 2.47 -0.92 0.16 114.38 121.57 2jg4 h ARG 862 Ca 0.05 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2jg4 h ARG 862 Cb 0.35 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2jg4 h ARG 862 CO 0.02 1.03 0.37 0.28 0.56 0.00 0.00 179.97 182.23 2jg4 h VAL 863 N 0.97 1.15 -0.30 2.04 2.07 -0.90 0.13 116.25 121.41 2jg4 h VAL 863 Ca 0.18 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2jg4 h VAL 863 Cb 0.54 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2jg4 h VAL 863 CO 0.03 0.15 0.11 -0.33 0.02 0.00 0.00 177.57 177.55 2jg4 h GLU 864 N 0.78 0.45 -0.34 1.57 4.39 -0.99 0.47 114.58 120.90 2jg4 h GLU 864 Ca 0.21 -0.09 0.08 0.00 0.34 0.00 0.00 59.36 59.90 2jg4 h GLU 864 Cb -0.07 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.42 2jg4 h GLU 864 CO -0.04 0.48 -0.24 0.00 -1.16 0.00 0.00 179.01 178.05 2jg4 h ALA 865 N 0.95 -0.03 -0.68 3.43 0.00 -0.52 -2.29 119.26 120.12 2jg4 h ALA 865 Ca 0.10 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2jg4 h ALA 865 Cb 0.20 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2jg4 h ALA 865 CO -0.01 -0.63 0.33 0.35 0.00 0.00 0.00 179.25 179.30 2jg4 h PHE 866 N -0.19 0.60 -0.94 0.00 3.57 -0.09 -1.54 116.94 118.35 2jg4 h PHE 866 Ca 0.17 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.83 2jg4 h PHE 866 Cb 0.46 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.96 2jg4 h PHE 866 CO -0.44 0.23 0.60 -0.07 -2.23 0.00 0.00 178.31 176.40 2jg4 h LEU 867 N 0.59 0.78 -0.15 0.59 -0.00 -0.35 0.00 115.31 116.76 2jg4 h LEU 867 Ca 0.33 0.04 -0.10 0.00 -0.00 0.00 0.00 57.88 58.15 2jg4 h LEU 867 Cb 0.32 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 2jg4 h LEU 867 CO -0.25 0.40 -0.29 0.40 -0.00 0.00 0.00 178.44 178.70 2jg4 h ILE 868 N 0.83 1.36 -0.56 1.22 2.04 -1.03 -2.55 117.51 118.82 2jg4 h ILE 868 Ca 0.47 -1.54 0.11 0.00 1.00 0.00 0.00 64.86 64.90 2jg4 h ILE 868 Cb 0.61 1.97 -0.11 0.00 -0.74 0.00 0.00 36.82 38.55 2jg4 h ILE 868 CO -0.24 0.46 -0.20 0.74 0.00 0.00 0.00 178.15 178.92 2jg4 h THR 869 N 0.09 0.35 -0.85 -0.27 2.02 -0.74 -1.93 112.91 111.58 2jg4 h THR 869 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2jg4 h THR 869 Cb 0.88 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.58 2jg4 h THR 869 CO 0.07 0.00 0.55 0.24 0.37 0.00 0.00 175.52 176.75 2jg4 h MET 870 N -0.06 0.84 -0.17 6.66 2.86 -0.82 -0.44 114.93 123.80 2jg4 h MET 870 Ca 0.26 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 2jg4 h MET 870 Cb 0.47 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 2jg4 h MET 870 CO -0.60 0.56 -0.05 1.49 1.06 0.00 0.00 176.91 179.36 2jg4 h GLU 871 N 0.86 0.33 0.09 1.72 4.81 -0.94 0.37 114.58 121.82 2jg4 h GLU 871 Ca 0.39 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2jg4 h GLU 871 Cb 0.36 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2jg4 h GLU 871 CO -0.15 0.62 -0.18 0.87 -0.73 0.00 0.00 179.01 179.44 2jg4 h LYS 872 N 0.02 -0.32 -0.71 1.92 1.57 -1.19 -1.10 116.57 116.75 2jg4 h LYS 872 Ca 0.04 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 2jg4 h LYS 872 Cb 0.51 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 2jg4 h LYS 872 CO 0.02 -0.21 -0.10 1.03 -0.57 0.00 0.00 179.45 179.62 2jg4 h SER 873 N -0.33 -0.51 -0.61 0.86 0.87 -1.02 0.45 113.55 113.24 2jg4 h SER 873 Ca 0.03 0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2jg4 h SER 873 Cb 0.36 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2jg4 h SER 873 CO -0.11 -0.21 0.09 0.40 -0.53 0.00 0.00 176.83 176.48 2jg4 h ILE 874 N 0.04 1.26 -0.83 2.23 2.04 -0.55 -1.02 117.51 120.68 2jg4 h ILE 874 Ca 0.36 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2jg4 h ILE 874 Cb 0.59 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2jg4 h ILE 874 CO -0.68 0.38 0.40 -0.33 0.00 0.00 0.00 178.15 177.91 2jg4 h GLU 875 N 0.93 1.19 0.00 2.37 5.08 -0.08 -3.13 114.58 120.94 2jg4 h GLU 875 Ca 0.18 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2jg4 h GLU 875 Cb 0.44 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2jg4 h GLU 875 CO 0.01 0.91 -0.14 -0.44 -1.00 0.00 0.00 179.01 178.36 2jg4 h ASP 876 N 1.18 0.00 -4.03 1.42 3.45 0.33 -3.47 116.42 115.31 2jg4 h ASP 876 Ca 0.29 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 57.28 2jg4 h ASP 876 Cb 0.11 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.89 2jg4 h ASP 876 CO -0.04 0.14 0.38 0.00 -1.57 0.00 0.00 179.24 178.15 2jg4 s MET 877 N -3.40 4.02 0.89 3.56 0.23 -0.43 -5.03 119.30 119.14 2jg4 s MET 877 Ca 0.03 1.36 -0.11 0.00 -1.03 0.00 0.00 55.69 55.94 2jg4 s MET 877 Cb 0.08 -2.27 0.13 0.00 -1.53 0.00 0.00 34.83 31.23 2jg4 s MET 877 CO 0.64 -0.24 1.09 0.95 -2.03 0.00 0.00 175.02 175.43 2jg4 s THR 878 N -1.90 2.67 0.35 3.16 -4.23 -1.26 -4.85 115.64 109.57 2jg4 s THR 878 Ca 0.63 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 61.40 2jg4 s THR 878 Cb -0.17 -2.61 0.19 0.00 1.34 0.00 0.00 72.50 71.26 2jg4 s THR 878 CO 0.21 -0.29 1.92 -0.08 -0.54 0.00 0.00 174.62 175.85 2jg4 h GLU 879 N -1.59 0.59 -0.34 3.99 4.57 -1.99 -2.14 114.58 117.67 2jg4 h GLU 879 Ca -0.48 -0.10 -0.17 0.00 -1.18 0.00 0.00 59.36 57.44 2jg4 h GLU 879 Cb 1.27 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2jg4 h GLU 879 CO 0.52 0.53 -0.44 0.93 -1.18 0.00 0.00 179.01 179.37 2jg4 h GLU 880 N 0.58 0.89 -0.77 1.92 4.39 -1.98 -1.85 114.58 117.76 2jg4 h GLU 880 Ca 0.14 -0.51 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 2jg4 h GLU 880 Cb 0.20 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 2jg4 h GLU 880 CO -0.01 1.15 0.42 0.00 -1.16 0.00 0.00 179.01 179.42 2jg4 h ALA 881 N 0.73 1.28 0.52 3.43 0.00 -1.84 0.12 119.26 123.49 2jg4 h ALA 881 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2jg4 h ALA 881 Cb 1.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jg4 h ALA 881 CO 0.10 0.58 -0.26 0.35 0.00 0.00 0.00 179.25 180.02 2jg4 h PHE 882 N 1.08 -0.68 -0.38 0.00 3.57 -1.37 -2.87 116.94 116.30 2jg4 h PHE 882 Ca 0.27 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.84 2jg4 h PHE 882 Cb 0.03 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 2jg4 h PHE 882 CO 0.01 -0.42 0.26 1.96 -2.23 0.00 0.00 178.31 177.89 2jg4 h GLN 883 N -0.72 0.12 -0.47 1.11 1.08 -0.54 -1.19 115.11 114.51 2jg4 h GLN 883 Ca -0.07 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 2jg4 h GLN 883 Cb 0.56 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 2jg4 h GLN 883 CO 0.11 0.08 -0.13 0.87 -0.95 0.00 0.00 178.83 178.80 2jg4 h LYS 884 N 0.12 0.87 -0.33 1.46 1.57 -0.71 0.26 116.57 119.81 2jg4 h LYS 884 Ca 0.17 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.49 2jg4 h LYS 884 Cb 0.54 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2jg4 h LYS 884 CO -0.02 0.94 -0.42 0.45 -0.57 0.00 0.00 179.45 179.84 2jg4 h HIS 885 N 0.77 0.99 -0.32 -1.35 3.86 -1.02 -0.07 115.15 118.01 2jg4 h HIS 885 Ca 0.12 -0.30 0.02 0.00 -1.16 0.00 0.00 60.37 59.05 2jg4 h HIS 885 Cb 0.65 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2jg4 h HIS 885 CO 0.04 1.09 0.16 0.82 0.86 0.00 0.00 177.93 180.90 2jg4 h ILE 886 N 0.66 0.99 -0.79 2.45 2.04 -1.13 -1.57 117.51 120.16 2jg4 h ILE 886 Ca 0.05 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2jg4 h ILE 886 Cb 0.99 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2jg4 h ILE 886 CO 0.09 0.06 0.47 -0.61 0.00 0.00 0.00 178.15 178.17 2jg4 h GLN 887 N 0.34 1.08 -0.15 2.37 5.75 -0.80 -1.04 115.11 122.65 2jg4 h GLN 887 Ca 0.13 -0.10 -0.08 0.00 -0.15 0.00 0.00 58.65 58.46 2jg4 h GLN 887 Cb 0.04 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.36 2jg4 h GLN 887 CO -0.09 0.76 -0.20 0.00 -2.65 0.00 0.00 178.83 176.65 2jg4 h ALA 888 N 1.42 0.23 -0.95 3.38 0.00 -0.66 -1.59 119.26 121.10 2jg4 h ALA 888 Ca 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jg4 h ALA 888 Cb -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2jg4 h ALA 888 CO -0.05 0.17 0.60 1.25 0.00 0.00 0.00 179.25 181.22 2jg4 h LEU 889 N 0.03 1.11 -0.41 0.00 6.46 -1.19 -0.75 115.31 120.56 2jg4 h LEU 889 Ca 0.02 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2jg4 h LEU 889 Cb 0.76 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2jg4 h LEU 889 CO 0.05 0.82 0.21 0.00 -0.62 0.00 0.00 178.44 178.90 2jg4 h ALA 890 N 1.33 0.51 -0.37 1.25 0.00 -1.02 0.84 119.26 121.81 2jg4 h ALA 890 Ca 0.34 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2jg4 h ALA 890 Cb -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2jg4 h ALA 890 CO -0.07 -0.14 0.06 0.82 0.00 0.00 0.00 179.25 179.92 2jg4 h ILE 891 N 0.43 1.24 -0.28 0.00 1.08 -0.91 -1.34 117.51 117.73 2jg4 h ILE 891 Ca 0.17 -0.84 0.06 0.00 -0.39 0.00 0.00 64.86 63.87 2jg4 h ILE 891 Cb 0.06 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 2jg4 h ILE 891 CO -0.11 0.28 -0.10 0.03 -0.69 0.00 0.00 178.15 177.56 2jg4 h ARG 892 N 0.45 -0.05 -0.29 2.37 3.08 -0.57 -1.08 114.38 118.28 2jg4 h ARG 892 Ca 0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 2jg4 h ARG 892 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2jg4 h ARG 892 CO 0.01 -0.03 -0.36 0.00 -1.07 0.00 0.00 179.97 178.51 2jg4 h ARG 893 N -0.05 0.67 -0.00 0.04 2.47 -0.76 -3.12 114.38 113.62 2jg4 h ARG 893 Ca 0.14 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2jg4 h ARG 893 Cb 0.27 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2jg4 h ARG 893 CO -0.32 0.93 -0.15 1.28 0.56 0.00 0.00 179.97 182.27 2jg4 n LEU 894 N -4.05 0.26 -4.64 3.04 4.77 -0.51 -4.88 117.00 110.98 2jg4 n LEU 894 Ca -0.01 0.22 -0.49 0.00 -0.03 0.00 0.00 56.01 55.69 2jg4 n LEU 894 Cb 0.50 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2jg4 n LEU 894 CO 0.46 0.06 1.55 -0.67 -1.33 0.00 0.00 177.39 177.46 2jg4 n ASP 895 N -1.32 3.15 -4.73 -1.43 2.03 -0.44 -4.88 116.55 108.93 2jg4 n ASP 895 Ca 0.09 0.84 -0.41 0.00 0.52 0.00 0.00 54.79 55.83 2jg4 n ASP 895 Cb 0.31 -1.35 -0.04 0.00 -0.72 0.00 0.00 41.12 39.33 2jg4 n ASP 895 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jg4 s LYS 896 N 4.55 4.55 0.33 -0.67 1.02 -1.26 -4.99 119.74 123.27 2jg4 s LYS 896 Ca 0.96 1.73 -0.28 0.00 0.02 0.00 0.00 55.97 58.40 2jg4 s LYS 896 Cb -0.72 -3.29 -0.13 0.00 -0.52 0.00 0.00 37.83 33.17 2jg4 s LYS 896 CO 0.51 -0.00 1.26 -0.35 -0.92 0.00 0.00 175.35 175.85 2jg4 n PRO 897 N 2.72 2.02 0.02 -1.68 -0.04 -1.26 -4.92 135.00 131.86 2jg4 n PRO 897 Ca 0.04 0.71 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 2jg4 n PRO 897 Cb 0.46 -2.27 0.09 0.00 -0.04 0.00 0.00 33.50 31.74 2jg4 n PRO 897 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jg4 n LYS 898 N 0.69 0.18 -3.81 0.54 4.76 -1.26 -4.90 118.16 114.35 2jg4 n LYS 898 Ca 0.06 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.40 2jg4 n LYS 898 Cb 0.35 -1.57 -0.08 0.00 -1.84 0.00 0.00 35.03 31.89 2jg4 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2jg4 s LYS 899 N -3.12 0.76 0.17 1.97 -2.85 -1.26 -4.20 119.74 111.21 2jg4 s LYS 899 Ca 0.06 -0.61 -0.20 0.00 -1.00 0.00 0.00 55.97 54.23 2jg4 s LYS 899 Cb 0.15 0.32 0.09 0.00 -2.06 0.00 0.00 37.83 36.33 2jg4 s LYS 899 CO 0.77 -0.23 1.62 1.25 0.10 0.00 0.00 175.35 178.86 2jg4 h LEU 900 N 3.29 -0.77 -1.85 2.77 5.85 -1.96 -0.82 115.31 121.82 2jg4 h LEU 900 Ca -0.32 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2jg4 h LEU 900 Cb 1.20 0.40 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2jg4 h LEU 900 CO 0.48 -0.26 -0.09 0.77 -0.34 0.00 0.00 178.44 179.01 2jg4 h SER 901 N -0.16 0.00 -0.23 1.25 4.64 -1.97 -0.23 113.55 116.84 2jg4 h SER 901 Ca 0.19 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.40 2jg4 h SER 901 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2jg4 h SER 901 CO -0.50 0.09 -0.28 0.00 -0.87 0.00 0.00 176.83 175.27 2jg4 h ALA 902 N 1.91 0.35 -0.45 5.18 0.00 -1.58 -0.81 119.26 123.86 2jg4 h ALA 902 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2jg4 h ALA 902 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jg4 h ALA 902 CO 0.01 0.36 -0.01 1.49 0.00 0.00 0.00 179.25 181.09 2jg4 h GLU 903 N 0.30 0.80 -0.62 0.00 4.81 -1.03 -2.58 114.58 116.26 2jg4 h GLU 903 Ca 0.03 -0.26 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2jg4 h GLU 903 Cb 0.85 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.09 2jg4 h GLU 903 CO 0.07 0.87 0.25 0.00 -0.73 0.00 0.00 179.01 179.47 2jg4 h ALA 905 N 1.41 1.23 -0.24 0.00 0.00 -0.81 0.80 119.26 121.66 2jg4 h ALA 905 Ca 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jg4 h ALA 905 Cb 0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2jg4 h ALA 905 CO -0.29 0.61 0.15 0.87 0.00 0.00 0.00 179.25 180.59 2jg4 h LYS 906 N 1.30 0.33 -0.32 0.00 1.57 -1.07 -1.67 116.57 116.72 2jg4 h LYS 906 Ca 0.36 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2jg4 h LYS 906 Cb -0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2jg4 h LYS 906 CO -0.08 0.26 0.15 1.88 -0.57 0.00 0.00 179.45 181.09 2jg4 h TYR 907 N 0.30 0.46 -0.94 -1.35 0.99 -1.09 -2.82 116.97 112.53 2jg4 h TYR 907 Ca 0.09 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.92 2jg4 h TYR 907 Cb 0.01 -0.14 -0.08 0.00 1.00 0.00 0.00 36.73 37.53 2jg4 h TYR 907 CO -0.05 0.41 0.60 2.35 -0.00 0.00 0.00 178.16 181.47 2jg4 h TRP 908 N 0.38 0.99 -0.76 4.88 -0.00 -0.68 -0.14 115.95 120.62 2jg4 h TRP 908 Ca 0.11 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.00 2jg4 h TRP 908 Cb 0.12 -0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 28.93 2jg4 h TRP 908 CO -0.02 0.40 0.38 0.78 -0.00 0.00 0.00 178.44 179.99 2jg4 h GLY 909 N 0.87 1.16 1.05 2.65 0.00 -1.08 0.34 103.07 108.06 2jg4 h GLY 909 Ca 0.46 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2jg4 h GLY 909 CO -0.22 0.53 0.37 0.83 0.00 0.00 0.00 176.54 178.05 2jg4 h GLU 910 N 1.06 1.22 0.08 4.80 4.39 -0.85 -2.05 114.58 123.23 2jg4 h GLU 910 Ca 0.26 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2jg4 h GLU 910 Cb 0.09 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2jg4 h GLU 910 CO -0.04 0.95 -0.04 0.82 -1.16 0.00 0.00 179.01 179.55 2jg4 h ILE 911 N 1.20 1.09 -0.22 3.13 2.04 -0.46 -0.53 117.51 123.76 2jg4 h ILE 911 Ca 0.28 -1.43 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2jg4 h ILE 911 Cb 0.16 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2jg4 h ILE 911 CO -0.03 0.31 -0.00 0.16 0.00 0.00 0.00 178.15 178.59 2jg4 h ILE 912 N -0.85 1.14 0.00 -0.67 3.07 -0.42 -0.17 117.51 119.61 2jg4 h ILE 912 Ca -0.01 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.86 2jg4 h ILE 912 Cb 0.59 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 2jg4 h ILE 912 CO 0.02 0.18 0.00 -1.54 -1.05 0.00 0.00 178.15 175.76 2jg4 n SER 913 N -4.36 0.00 -2.11 2.16 3.41 -0.77 -4.90 113.62 107.05 2jg4 n SER 913 Ca 0.00 0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.74 2jg4 n SER 913 Cb 0.19 -0.44 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 2jg4 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jg4 n GLN 914 N -1.44 -1.59 -0.04 4.33 6.02 -0.08 -4.88 117.38 119.70 2jg4 n GLN 914 Ca 0.07 1.09 -0.03 0.00 -0.01 0.00 0.00 57.00 58.13 2jg4 n GLN 914 Cb 0.26 -5.66 -0.14 0.00 1.02 0.00 0.00 30.24 25.72 2jg4 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jg4 n GLN 915 N -2.79 0.66 -4.11 -1.09 6.02 -0.87 -3.96 117.38 111.25 2jg4 n GLN 915 Ca -0.23 0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.48 2jg4 n GLN 915 Cb 0.69 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 2jg4 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2jg4 n TYR 916 N -2.71 -1.67 -3.30 1.08 4.02 -0.26 -1.86 117.16 112.47 2jg4 n TYR 916 Ca -0.20 0.76 -0.37 0.00 -0.01 0.00 0.00 57.90 58.08 2jg4 n TYR 916 Cb 0.96 -3.31 -0.03 0.00 -0.02 0.00 0.00 39.34 36.93 2jg4 n TYR 916 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jg4 n ASN 917 N -2.83 5.10 0.22 7.72 2.85 -1.26 -4.57 115.26 122.49 2jg4 n ASN 917 Ca -0.13 -3.33 0.15 0.00 -0.11 0.00 0.00 54.58 51.16 2jg4 n ASN 917 Cb 0.60 -1.06 0.62 0.00 1.24 0.00 0.00 39.78 41.18 2jg4 n ASN 917 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 2jg4 h PHE 918 N 5.29 0.00 -0.40 1.20 0.04 -1.97 -1.79 116.94 119.31 2jg4 h PHE 918 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2jg4 h PHE 918 Cb 0.69 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.84 2jg4 h PHE 918 CO 0.84 0.00 0.00 -3.47 -0.60 0.00 0.00 178.31 175.08 2jg4 n ASP 919 N -2.76 4.66 -0.17 2.17 4.64 -1.26 -4.73 116.55 119.10 2jg4 n ASP 919 Ca 0.01 -2.97 -0.01 0.00 -1.38 0.00 0.00 54.79 50.44 2jg4 n ASP 919 Cb 0.27 -0.60 0.06 0.00 -1.04 0.00 0.00 41.12 39.81 2jg4 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 2jg4 h ARG 920 N 2.74 0.07 -0.31 -0.67 2.43 -1.74 -2.69 114.38 114.21 2jg4 h ARG 920 Ca 0.00 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2jg4 h ARG 920 Cb 1.66 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.13 2jg4 h ARG 920 CO 0.33 0.05 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.29 2jg4 h ASP 921 N 0.08 -0.38 -0.13 -3.80 3.32 -1.85 0.57 116.42 114.23 2jg4 h ASP 921 Ca 0.27 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 2jg4 h ASP 921 Cb 0.42 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2jg4 h ASP 921 CO -0.48 -0.14 0.04 0.78 -1.72 0.00 0.00 179.24 177.71 2jg4 h ASN 922 N -0.05 0.20 -0.01 6.45 -0.26 -1.89 -1.43 115.58 118.58 2jg4 h ASN 922 Ca 0.15 -0.22 0.03 0.00 -0.56 0.00 0.00 56.30 55.71 2jg4 h ASN 922 Cb 0.28 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.44 2jg4 h ASN 922 CO -0.34 0.36 -0.24 0.74 -1.06 0.00 0.00 177.43 176.89 2jg4 h THR 923 N 0.02 0.45 -0.23 2.81 2.02 -1.10 -0.66 112.91 116.22 2jg4 h THR 923 Ca 0.04 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.12 2jg4 h THR 923 Cb 0.24 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2jg4 h THR 923 CO -0.00 0.00 -0.31 -0.33 0.37 0.00 0.00 175.52 175.25 2jg4 h GLU 924 N -0.37 0.46 -0.27 6.66 5.08 0.14 -2.24 114.58 124.05 2jg4 h GLU 924 Ca 0.06 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 2jg4 h GLU 924 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2jg4 h GLU 924 CO -0.22 0.73 -0.10 0.28 -1.00 0.00 0.00 179.01 178.69 2jg4 h VAL 925 N 0.40 1.29 -0.57 3.13 2.07 -1.12 -0.24 116.25 121.21 2jg4 h VAL 925 Ca 0.05 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.51 2jg4 h VAL 925 Cb 0.75 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.93 2jg4 h VAL 925 CO 0.06 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.13 2jg4 h ALA 926 N 0.75 0.66 -0.36 1.67 0.00 -0.90 -1.57 119.26 119.51 2jg4 h ALA 926 Ca 0.06 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 2jg4 h ALA 926 Cb 0.60 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2jg4 h ALA 926 CO 0.03 -0.31 -0.32 -0.92 0.00 0.00 0.00 179.25 177.74 2jg4 h TYR 927 N 0.25 0.94 -0.61 0.00 3.20 -1.31 -3.04 116.97 116.39 2jg4 h TYR 927 Ca 0.29 -0.25 0.13 0.00 3.14 0.00 0.00 58.73 62.04 2jg4 h TYR 927 Cb 0.43 -0.21 -0.10 0.00 1.54 0.00 0.00 36.73 38.38 2jg4 h TYR 927 CO -0.25 1.01 0.01 1.25 -1.64 0.00 0.00 178.16 178.54 2jg4 h LEU 928 N 0.68 -0.26 0.00 2.82 6.46 -0.10 -1.26 115.31 123.65 2jg4 h LEU 928 Ca 0.07 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2jg4 h LEU 928 Cb 0.86 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 2jg4 h LEU 928 CO 0.08 -0.11 0.00 0.29 -0.62 0.00 0.00 178.44 178.08 2jg4 n LYS 929 N -5.27 0.11 0.08 1.25 5.02 -0.74 -1.46 118.16 117.15 2jg4 n LYS 929 Ca 0.09 0.22 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 2jg4 n LYS 929 Cb 0.35 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 2jg4 n LYS 929 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2jg4 n THR 930 N -1.30 0.50 -2.51 -0.18 -1.04 -0.48 -4.96 114.28 104.32 2jg4 n THR 930 Ca 0.04 -0.49 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 2jg4 n THR 930 Cb 0.07 -0.24 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 2jg4 n THR 930 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2jg4 s LEU 931 N -5.03 4.54 0.31 -4.42 1.02 -0.53 -5.05 118.68 109.51 2jg4 s LEU 931 Ca 0.00 2.20 0.08 0.00 0.02 0.00 0.00 54.13 56.43 2jg4 s LEU 931 Cb 0.11 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.66 2jg4 s LEU 931 CO 0.79 -0.14 0.18 0.42 0.02 0.00 0.00 176.35 177.62 2jg4 s THR 932 N -0.89 3.56 0.29 5.49 -4.23 -1.26 -5.01 115.64 113.59 2jg4 s THR 932 Ca 0.46 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2jg4 s THR 932 Cb -0.31 -3.12 0.29 0.00 1.34 0.00 0.00 72.50 70.70 2jg4 s THR 932 CO 0.39 -0.25 1.76 0.50 -0.54 0.00 0.00 174.62 176.48 2jg4 h LYS 933 N 1.49 0.64 -0.33 3.99 3.64 -1.98 -1.87 116.57 122.15 2jg4 h LYS 933 Ca -0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2jg4 h LYS 933 Cb 1.25 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2jg4 h LYS 933 CO 0.61 0.43 0.17 1.49 -2.27 0.00 0.00 179.45 179.87 2jg4 h GLU 934 N 0.66 0.46 -0.58 1.90 4.81 -1.99 -1.25 114.58 118.60 2jg4 h GLU 934 Ca 0.56 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.84 2jg4 h GLU 934 Cb 0.91 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.12 2jg4 h GLU 934 CO -0.41 0.40 0.12 -0.44 -0.73 0.00 0.00 179.01 177.95 2jg4 h ASP 935 N 0.40 -0.00 -0.45 1.04 3.32 -1.74 -0.77 116.42 118.22 2jg4 h ASP 935 Ca 0.11 0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 2jg4 h ASP 935 Cb 0.08 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 2jg4 h ASP 935 CO -0.02 0.01 0.07 0.40 -1.72 0.00 0.00 179.24 177.98 2jg4 h ILE 936 N 0.25 1.25 -0.46 0.35 1.08 -1.23 -0.69 117.51 118.05 2jg4 h ILE 936 Ca 0.30 -0.90 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 2jg4 h ILE 936 Cb 0.45 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.12 2jg4 h ILE 936 CO -0.39 0.31 0.19 0.40 -0.69 0.00 0.00 178.15 177.97 2jg4 h ILE 937 N 0.60 0.90 0.08 -0.67 1.08 -0.74 -1.14 117.51 117.62 2jg4 h ILE 937 Ca 0.14 -0.13 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2jg4 h ILE 937 Cb 0.38 0.48 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2jg4 h ILE 937 CO 0.01 0.07 -0.04 0.11 -0.69 0.00 0.00 178.15 177.61 2jg4 h LYS 938 N 0.39 -0.11 -0.78 2.37 1.57 -1.00 0.09 116.57 119.10 2jg4 h LYS 938 Ca 0.21 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.18 2jg4 h LYS 938 Cb 0.17 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.39 2jg4 h LYS 938 CO -0.19 0.09 0.18 0.35 -0.57 0.00 0.00 179.45 179.32 2jg4 h PHE 939 N -0.30 0.28 -0.29 -1.35 3.57 -0.98 0.28 116.94 118.15 2jg4 h PHE 939 Ca -0.01 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2jg4 h PHE 939 Cb 0.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2jg4 h PHE 939 CO -0.01 -0.13 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.01 2jg4 h TYR 940 N 0.24 0.57 -0.25 0.41 5.03 -0.82 -0.70 116.97 121.45 2jg4 h TYR 940 Ca 0.46 -0.10 -0.07 0.00 2.58 0.00 0.00 58.73 61.60 2jg4 h TYR 940 Cb 0.82 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 2jg4 h TYR 940 CO -0.28 0.67 -0.13 0.87 -1.32 0.00 0.00 178.16 177.97 2jg4 h LYS 941 N 0.30 0.42 0.14 1.82 1.57 0.13 0.33 116.57 121.28 2jg4 h LYS 941 Ca 0.08 -0.11 -0.33 0.00 -1.87 0.00 0.00 60.65 58.42 2jg4 h LYS 941 Cb 0.44 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jg4 h LYS 941 CO 0.02 0.55 -1.64 1.49 -0.57 0.00 0.00 179.45 179.30 2jg4 h GLU 942 N 0.39 0.30 0.00 3.15 4.81 -0.41 -3.38 114.58 119.43 2jg4 h GLU 942 Ca 0.07 -0.51 -0.22 0.00 -0.13 0.00 0.00 59.36 58.58 2jg4 h GLU 942 Cb 0.46 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2jg4 h GLU 942 CO 0.03 1.18 -1.81 -1.33 -0.73 0.00 0.00 179.01 176.34 2jg4 n MET 943 N -3.49 1.83 -0.04 1.92 2.81 -0.28 -1.66 117.12 118.21 2jg4 n MET 943 Ca -0.20 0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.63 2jg4 n MET 943 Cb 1.06 -1.30 -0.03 0.00 -0.71 0.00 0.00 33.22 32.23 2jg4 n MET 943 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2jg4 n LEU 944 N -2.51 1.96 -4.46 4.03 4.77 0.77 -3.84 117.00 117.72 2jg4 n LEU 944 Ca -0.20 0.02 -0.38 0.00 -0.03 0.00 0.00 56.01 55.42 2jg4 n LEU 944 Cb 0.87 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.73 2jg4 n LEU 944 CO 0.23 0.44 0.05 0.00 -1.33 0.00 0.00 177.39 176.78 2jg4 n ALA 945 N -3.01 -1.20 -0.24 -1.18 0.00 0.80 -4.81 120.51 110.87 2jg4 n ALA 945 Ca -0.15 -0.01 0.26 0.00 0.00 0.00 0.00 53.44 53.54 2jg4 n ALA 945 Cb 0.64 -1.81 0.64 0.00 0.00 0.00 0.00 19.45 18.91 2jg4 n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2jg4 h VAL 946 N 0.27 0.56 -0.41 0.00 3.04 -1.95 0.16 116.25 117.92 2jg4 h VAL 946 Ca -0.45 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2jg4 h VAL 946 Cb 1.40 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.06 2jg4 h VAL 946 CO 0.47 0.03 0.00 -0.90 -1.01 0.00 0.00 177.57 176.16 2jg4 n ASP 947 N -4.38 4.30 -4.71 3.17 3.85 -1.26 -5.01 116.55 112.51 2jg4 n ASP 947 Ca 0.21 -2.75 -0.43 0.00 -0.71 0.00 0.00 54.79 51.11 2jg4 n ASP 947 Cb 0.92 -0.54 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 2jg4 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jg4 n ALA 948 N 0.16 2.59 -0.33 2.12 0.00 0.56 -4.89 120.51 120.73 2jg4 n ALA 948 Ca 0.22 0.41 0.25 0.00 0.00 0.00 0.00 53.44 54.32 2jg4 n ALA 948 Cb 0.89 -2.49 0.54 0.00 0.00 0.00 0.00 19.45 18.38 2jg4 n ALA 948 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jg4 h PRO 949 N 6.60 0.33 -0.44 0.00 0.13 -1.75 -2.94 132.00 133.92 2jg4 h PRO 949 Ca -0.43 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 2jg4 h PRO 949 Cb 1.21 -0.07 -0.27 0.00 0.13 0.00 0.00 31.00 31.99 2jg4 h PRO 949 CO 0.94 0.22 -0.73 0.54 -0.23 0.00 0.00 178.00 178.74 2jg4 n ARG 950 N -4.61 2.69 -2.04 0.86 1.74 -0.66 -3.99 116.66 110.65 2jg4 n ARG 950 Ca 0.27 -3.76 -0.42 0.00 -0.77 0.00 0.00 57.85 53.16 2jg4 n ARG 950 Cb 0.95 -1.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 2jg4 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2jg4 s ARG 951 N -3.37 4.25 -0.32 5.56 3.52 -1.11 -4.69 118.95 122.79 2jg4 s ARG 951 Ca 0.45 2.22 0.02 0.00 -0.13 0.00 0.00 55.73 58.28 2jg4 s ARG 951 Cb 0.39 -3.35 0.10 0.00 -1.56 0.00 0.00 34.95 30.53 2jg4 s ARG 951 CO -0.01 -0.59 0.06 -1.01 -0.81 0.00 0.00 175.30 172.95 2jg4 s HIS 952 N 1.69 2.87 -0.10 5.12 3.76 -1.26 -0.61 115.29 126.76 2jg4 s HIS 952 Ca 0.69 -2.43 0.03 0.00 -0.15 0.00 0.00 55.06 53.19 2jg4 s HIS 952 Cb -0.39 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 2jg4 s HIS 952 CO 0.31 -0.91 -0.21 0.21 -0.85 0.00 0.00 174.74 173.29 2jg4 s LYS 953 N 1.21 3.09 -0.01 1.40 2.20 -1.13 -0.31 119.74 126.19 2jg4 s LYS 953 Ca 0.10 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2jg4 s LYS 953 Cb -0.18 -2.39 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2jg4 s LYS 953 CO -0.15 0.22 -0.15 0.08 -0.36 0.00 0.00 175.35 174.99 2jg4 s VAL 954 N 0.27 1.18 -0.04 4.02 1.01 -0.08 -1.96 120.40 124.79 2jg4 s VAL 954 Ca -0.14 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.20 2jg4 s VAL 954 Cb -0.17 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2jg4 s VAL 954 CO 0.07 0.31 -0.14 -0.44 0.00 0.00 0.00 175.10 174.90 2jg4 s SER 955 N -0.42 1.88 -0.23 3.32 0.01 -0.06 -0.17 113.70 118.03 2jg4 s SER 955 Ca 0.05 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.97 2jg4 s SER 955 Cb -0.06 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2jg4 s SER 955 CO -0.00 0.11 -0.04 -0.69 0.41 0.00 0.00 173.24 173.02 2jg4 s VAL 956 N 0.21 3.27 -0.25 3.43 1.01 -0.33 -0.09 120.40 127.65 2jg4 s VAL 956 Ca -0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 2jg4 s VAL 956 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2jg4 s VAL 956 CO 0.02 0.35 0.09 -1.00 0.00 0.00 0.00 175.10 174.57 2jg4 s HIS 957 N 1.44 3.13 -0.24 5.22 3.76 0.56 -1.98 115.29 127.19 2jg4 s HIS 957 Ca 0.04 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 2jg4 s HIS 957 Cb -0.15 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.29 2jg4 s HIS 957 CO -0.03 -0.26 -0.02 0.08 -0.85 0.00 0.00 174.74 173.65 2jg4 s VAL 958 N 1.50 3.40 0.36 -0.90 1.01 0.64 -0.95 120.40 125.47 2jg4 s VAL 958 Ca 0.06 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 2jg4 s VAL 958 Cb -0.15 -2.62 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 2jg4 s VAL 958 CO 0.05 0.32 0.70 -0.76 0.00 0.00 0.00 175.10 175.40 2jg4 s LEU 959 N 1.46 3.92 0.70 3.92 1.43 0.10 -0.84 118.68 129.37 2jg4 s LEU 959 Ca 0.04 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.03 2jg4 s LEU 959 Cb -0.15 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.21 2jg4 s LEU 959 CO -0.02 -0.32 1.08 0.00 0.23 0.00 0.00 176.35 177.31 2jg4 s ALA 960 N -2.25 2.52 0.19 4.21 0.00 -1.23 -0.54 121.76 124.66 2jg4 s ALA 960 Ca 0.49 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 2jg4 s ALA 960 Cb -0.10 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.85 2jg4 s ALA 960 CO 0.30 -1.34 1.55 -0.09 0.00 0.00 0.00 175.76 176.19 2jg4 h ARG 961 N -0.54 -0.09 -0.00 0.00 2.43 -0.41 -1.97 114.38 113.80 2jg4 h ARG 961 Ca -0.45 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2jg4 h ARG 961 Cb 1.22 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2jg4 h ARG 961 CO 0.55 -0.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.34 2jg4 n GLU 962 N -5.38 1.01 -3.28 0.20 -0.58 -1.26 -4.74 120.64 106.61 2jg4 n GLU 962 Ca 0.04 -0.02 -0.39 0.00 -0.42 0.00 0.00 57.16 56.37 2jg4 n GLU 962 Cb 0.34 -1.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.74 2jg4 n GLU 962 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2jg4 s MET 963 N -2.00 4.11 0.00 3.49 -1.94 -0.74 -5.02 119.30 117.20 2jg4 s MET 963 Ca 0.38 0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2jg4 s MET 963 Cb 0.17 -3.61 0.00 0.00 2.01 0.00 0.00 34.83 33.41 2jg4 s MET 963 CO 0.29 -0.23 0.00 -3.47 -0.01 0.00 0.00 175.02 171.60 2jg4 n ASP 964 N 5.12 0.00 -2.85 3.03 2.03 -1.26 -4.78 116.55 117.85 2jg4 n ASP 964 Ca -0.05 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.20 2jg4 n ASP 964 Cb 0.50 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.92 2jg4 n ASP 964 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jg4 n SER 965 N 0.00 0.70 -3.65 1.67 3.41 -1.26 -5.07 113.62 109.41 2jg4 n SER 965 Ca 0.00 -1.45 -0.01 0.00 -0.26 0.00 0.00 58.87 57.15 2jg4 n SER 965 Cb 0.00 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 2jg4 n SER 965 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jg4 s PRO 967 N 0.60 1.84 0.00 0.00 0.04 -1.26 -4.98 135.00 131.24 2jg4 s PRO 967 Ca -0.01 1.72 0.22 0.00 0.04 0.00 0.00 61.00 62.97 2jg4 s PRO 967 Cb -0.04 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2jg4 s PRO 967 CO -0.12 -2.06 1.02 1.33 0.04 0.00 0.00 177.00 177.21 2jg4 n VAL 968 N -3.11 0.00 -4.21 -0.36 0.24 -1.26 -4.59 118.33 105.04 2jg4 n VAL 968 Ca 0.13 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.34 62.27 2jg4 n VAL 968 Cb 0.51 0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 33.65 2jg4 n VAL 968 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2jg4 s VAL 969 N -2.95 0.00 0.00 3.34 1.01 -1.26 -4.78 120.40 115.76 2jg4 s VAL 969 Ca 0.10 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2jg4 s VAL 969 Cb 0.16 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2jg4 s VAL 969 CO 0.81 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.52 2jg4 n GLY 970 N -0.39 2.76 5.09 4.51 0.00 -1.26 -5.00 105.19 110.89 2jg4 n GLY 970 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jg4 n GLY 970 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jg4 n ASN 979 N 0.00 0.00 -4.84 1.61 6.94 -1.26 -5.15 115.26 112.56 2jg4 n ASN 979 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.21 2jg4 n ASN 979 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 2jg4 n ASN 979 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2jg4 s LEU 980 N 0.00 4.32 0.96 -4.53 1.43 -1.26 -5.09 118.68 114.52 2jg4 s LEU 980 Ca 0.00 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.08 2jg4 s LEU 980 Cb 0.00 -3.33 0.17 0.00 0.03 0.00 0.00 46.19 43.06 2jg4 s LEU 980 CO 0.00 0.08 1.09 -0.94 0.23 0.00 0.00 176.35 176.81 2jg4 s SER 981 N -1.76 2.90 -0.29 2.29 1.04 -1.26 -4.98 113.70 111.65 2jg4 s SER 981 Ca 0.39 1.33 -0.27 0.00 0.48 0.00 0.00 55.95 57.88 2jg4 s SER 981 Cb -0.15 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 63.98 2jg4 s SER 981 CO 0.19 -2.98 0.96 -1.58 0.98 0.00 0.00 173.24 170.82 2jg4 s GLN 982 N -4.93 4.10 -0.06 4.02 2.00 -1.26 -5.01 119.66 118.52 2jg4 s GLN 982 Ca 0.65 1.00 -0.21 0.00 -2.00 0.00 0.00 55.36 54.80 2jg4 s GLN 982 Cb -0.19 -3.70 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 2jg4 s GLN 982 CO 0.58 -0.73 0.59 0.00 -0.50 0.00 0.00 175.29 175.22 2jg4 s ALA 983 N 3.26 3.44 0.67 1.58 0.00 -1.26 -4.52 121.76 124.94 2jg4 s ALA 983 Ca 0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 2jg4 s ALA 983 Cb -0.14 -2.77 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 2jg4 s ALA 983 CO 0.11 0.04 1.05 -1.25 0.00 0.00 0.00 175.76 175.72 2jg4 s PRO 984 N 0.34 3.09 0.23 0.00 0.04 -1.26 -4.96 135.00 132.47 2jg4 s PRO 984 Ca 0.31 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 2jg4 s PRO 984 Cb -0.17 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 2jg4 s PRO 984 CO 0.15 -0.98 1.31 0.00 0.04 0.00 0.00 177.00 177.52 2jg4 s ALA 985 N -3.04 3.52 0.17 8.56 0.00 -1.26 -4.99 121.76 124.73 2jg4 s ALA 985 Ca 0.58 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.73 2jg4 s ALA 985 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2jg4 s ALA 985 CO 0.54 -0.55 0.09 -0.51 0.00 0.00 0.00 175.76 175.33 2jg4 s LEU 986 N -0.44 3.64 0.88 0.00 1.43 -1.26 -5.09 118.68 117.83 2jg4 s LEU 986 Ca 0.55 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 2jg4 s LEU 986 Cb -0.37 -2.25 0.12 0.00 0.03 0.00 0.00 46.19 43.71 2jg4 s LEU 986 CO 0.41 0.07 1.11 -2.84 0.23 0.00 0.00 176.35 175.32 2jg4 s PRO 987 N -3.11 1.42 -0.03 1.29 0.02 -1.26 -4.99 135.00 128.34 2jg4 s PRO 987 Ca 0.30 0.56 -0.30 0.00 0.02 0.00 0.00 61.00 61.58 2jg4 s PRO 987 Cb -0.10 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 2jg4 s PRO 987 CO 0.22 -2.06 1.24 -1.14 -0.33 0.00 0.00 177.00 174.92 2jg4 s GLN 988 N -5.12 4.35 0.57 5.54 2.00 -1.26 -5.02 119.66 120.71 2jg4 s GLN 988 Ca 0.63 1.74 -0.09 0.00 -2.00 0.00 0.00 55.36 55.64 2jg4 s GLN 988 Cb -0.16 -3.53 -0.04 0.00 0.80 0.00 0.00 33.01 30.09 2jg4 s GLN 988 CO 0.55 -0.44 0.93 -1.25 -0.50 0.00 0.00 175.29 174.58 2jg4 s PRO 989 N 2.06 3.55 -0.40 1.67 0.04 -1.26 -4.92 135.00 135.75 2jg4 s PRO 989 Ca 0.58 0.51 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 2jg4 s PRO 989 Cb -0.27 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.09 2jg4 s PRO 989 CO 0.24 -0.44 0.66 -2.00 0.04 0.00 0.00 177.00 175.50 2jg4 s GLU 990 N -5.01 3.50 -0.14 4.56 2.12 -0.32 -4.93 118.70 118.48 2jg4 s GLU 990 Ca 0.52 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 2jg4 s GLU 990 Cb -0.11 -3.88 -0.03 0.00 0.26 0.00 0.00 34.13 30.38 2jg4 s GLU 990 CO 0.50 -0.89 1.39 0.08 -0.54 0.00 0.00 175.26 175.80 2jg4 s VAL 991 N 2.83 4.06 -0.18 3.70 1.01 -1.26 -2.25 120.40 128.31 2jg4 s VAL 991 Ca 0.25 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 2jg4 s VAL 991 Cb -0.14 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2jg4 s VAL 991 CO 0.17 -0.13 1.41 -0.63 0.00 0.00 0.00 175.10 175.92 2jg4 s ILE 992 N 3.73 4.01 -0.12 2.22 1.01 0.05 -4.89 121.20 127.21 2jg4 s ILE 992 Ca 0.61 1.19 0.04 0.00 0.00 0.00 0.00 60.65 62.49 2jg4 s ILE 992 Cb -0.25 -3.87 -0.24 0.00 0.01 0.00 0.00 42.46 38.11 2jg4 s ILE 992 CO 0.20 -0.22 0.35 1.67 0.00 0.00 0.00 174.94 176.93 2jg4 n GLN 993 N 7.05 0.69 -3.68 2.79 -0.06 -1.26 -4.68 117.38 118.23 2jg4 n GLN 993 Ca 0.16 0.22 -0.15 0.00 -2.00 0.00 0.00 57.00 55.23 2jg4 n GLN 993 Cb 0.45 -1.69 -0.14 0.00 -4.06 0.00 0.00 30.24 24.80 2jg4 n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2jg4 s ASN 994 N -6.44 0.40 0.17 1.69 3.84 -1.26 -5.06 114.94 108.28 2jg4 s ASN 994 Ca -0.16 0.44 -0.14 0.00 0.21 0.00 0.00 52.86 53.21 2jg4 s ASN 994 Cb 0.07 0.42 0.12 0.00 -0.55 0.00 0.00 41.25 41.31 2jg4 s ASN 994 CO 0.77 -0.22 1.78 0.24 -2.79 0.00 0.00 177.10 176.88 2jg4 h MET 995 N 8.07 0.45 -0.32 0.43 2.86 -1.99 -1.82 114.93 122.62 2jg4 h MET 995 Ca -0.20 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.44 2jg4 h MET 995 Cb 1.12 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.65 2jg4 h MET 995 CO 0.20 0.30 0.13 1.15 1.06 0.00 0.00 176.91 179.75 2jg4 h THR 996 N 0.47 0.94 -0.27 2.22 2.02 -1.97 -1.81 112.91 114.50 2jg4 h THR 996 Ca 0.21 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2jg4 h THR 996 Cb 0.12 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2jg4 h THR 996 CO -0.15 0.05 0.08 -0.33 0.37 0.00 0.00 175.52 175.54 2jg4 h GLU 997 N 0.28 0.43 -0.66 6.66 5.08 -1.91 0.38 114.58 124.83 2jg4 h GLU 997 Ca 0.14 -0.10 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2jg4 h GLU 997 Cb 0.09 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 2jg4 h GLU 997 CO -0.13 0.50 -0.03 0.35 -1.00 0.00 0.00 179.01 178.70 2jg4 h PHE 998 N 0.27 -0.11 -0.32 4.33 3.57 -1.24 -0.66 116.94 122.78 2jg4 h PHE 998 Ca 0.09 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2jg4 h PHE 998 Cb 0.26 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2jg4 h PHE 998 CO 0.01 -0.21 -0.08 0.87 -2.23 0.00 0.00 178.31 176.67 2jg4 h LYS 999 N 0.09 0.62 -0.16 1.11 1.57 -0.88 -3.07 116.57 115.85 2jg4 h LYS 999 Ca 0.35 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2jg4 h LYS 999 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2jg4 h LYS 999 CO -0.60 0.80 0.11 0.00 -0.57 0.00 0.00 179.45 179.19 2jg4 h ARG 1000N 0.40 0.06 -0.30 3.15 3.08 -0.40 -2.94 114.38 117.42 2jg4 h ARG 1000Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jg4 h ARG 1000Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2jg4 h ARG 1000CO 0.03 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 2jg4 n GLY 1001N -1.55 0.56 3.21 0.04 0.00 -0.30 -4.90 105.19 102.23 2jg4 n GLY 1001Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 2jg4 n GLY 1001CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg4 s LEU 1002N -1.16 2.44 1.00 0.99 1.43 -1.11 -5.07 118.68 117.19 2jg4 s LEU 1002Ca 0.26 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2jg4 s LEU 1002Cb 0.14 -0.35 0.19 0.00 0.03 0.00 0.00 46.19 46.19 2jg4 s LEU 1002CO 0.19 -0.27 1.09 -2.84 0.23 0.00 0.00 176.35 174.75 2jg4 s PRO 1003N -3.05 0.44 -0.01 1.29 0.02 -1.26 -4.85 135.00 127.58 2jg4 s PRO 1003Ca 0.09 0.64 0.06 0.00 0.02 0.00 0.00 61.00 61.81 2jg4 s PRO 1003Cb -0.02 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.75 2jg4 s PRO 1003CO 0.01 -2.75 -0.19 -0.51 -0.33 0.00 0.00 177.00 173.22 2jg4 s LEU 1004N -6.51 2.46 0.83 -5.54 1.43 -1.26 -0.73 118.68 109.36 2jg4 s LEU 1004Ca 0.65 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 2jg4 s LEU 1004Cb -0.19 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2jg4 s LEU 1004CO 0.58 0.31 1.11 -0.36 0.23 0.00 0.00 176.35 178.23 2jg4 s PHE 1005N -0.74 2.19 1.04 0.29 0.40 -0.60 -4.84 117.98 115.73 2jg4 s PHE 1005Ca 0.12 1.63 -0.12 0.00 -0.60 0.00 0.00 56.93 57.96 2jg4 s PHE 1005Cb -0.10 -3.16 0.21 0.00 0.51 0.00 0.00 43.02 40.48 2jg4 s PHE 1005CO 0.01 -2.22 1.07 -2.14 0.70 0.00 0.00 175.22 172.64 2jg4 s PRO 1006N -4.81 0.05 0.40 0.24 0.02 -1.26 -4.68 135.00 124.96 2jg4 s PRO 1006Ca 0.63 0.72 -0.09 0.00 0.02 0.00 0.00 61.00 62.28 2jg4 s PRO 1006Cb -0.19 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 2jg4 s PRO 1006CO 0.57 -3.04 0.74 -0.51 -0.33 0.00 0.00 177.00 174.43 2jg4 s LEU 1007N -6.72 3.84 0.36 -5.54 2.01 -1.26 -4.83 118.68 106.54 2jg4 s LEU 1007Ca 0.66 1.07 -0.27 0.00 0.01 0.00 0.00 54.13 55.60 2jg4 s LEU 1007Cb -0.21 -3.94 -0.09 0.00 0.01 0.00 0.00 46.19 41.96 2jg4 s LEU 1007CO 0.60 -0.39 1.17 -0.69 1.01 0.00 0.00 176.35 178.05 2jg4 s VAL 1008N -2.36 3.19 0.07 -1.59 1.01 -1.26 -5.01 120.40 114.45 2jg4 s VAL 1008Ca 0.50 1.08 -0.28 0.00 0.00 0.00 0.00 61.98 63.28 2jg4 s VAL 1008Cb -0.10 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2jg4 s VAL 1008CO 0.32 0.17 0.88 -0.75 0.00 0.00 0.00 175.10 175.71 2jg4 s LYS 1009N -2.01 4.60 0.77 2.72 2.20 -1.26 -4.94 119.74 121.83 2jg4 s LYS 1009Ca 0.52 1.28 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 2jg4 s LYS 1009Cb -0.32 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2jg4 s LYS 1009CO 0.41 0.22 0.96 -2.30 -0.36 0.00 0.00 175.35 174.28 2jg4 n PRO 1010N 2.90 0.32 0.00 4.03 -0.02 -1.25 -4.87 135.00 136.11 2jg4 n PRO 1010Ca 0.01 0.17 0.12 0.00 -2.02 0.00 0.00 63.50 61.77 2jg4 n PRO 1010Cb 0.50 -2.23 0.70 0.00 -0.02 0.00 0.00 33.50 32.44 2jg4 n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06