#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg4 n ALA 46 N 0.00 6.20 -3.88 0.55 0.00 -1.26 -4.93 120.51 117.19 2jg4 n ALA 46 Ca 0.00 -3.48 -0.33 0.00 0.00 0.00 0.00 53.44 49.62 2jg4 n ALA 46 Cb 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 2jg4 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jg4 s ILE 47 N -4.75 2.54 0.18 0.00 1.01 -1.26 -1.69 121.20 117.23 2jg4 s ILE 47 Ca 0.63 -1.32 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 2jg4 s ILE 47 Cb 0.50 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 40.63 2jg4 s ILE 47 CO -0.00 0.09 1.60 0.50 0.00 0.00 0.00 174.94 177.13 2jg4 h LYS 48 N 7.91 0.97 -2.57 2.79 3.64 -1.09 -3.45 116.57 124.78 2jg4 h LYS 48 Ca -0.27 -0.37 -0.10 0.00 -1.27 0.00 0.00 60.65 58.64 2jg4 h LYS 48 Cb 1.08 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.62 2jg4 h LYS 48 CO 0.53 1.04 -0.12 0.50 -2.27 0.00 0.00 179.45 179.14 2jg4 s ARG 49 N -4.78 0.67 -0.08 1.90 3.52 -0.97 -4.99 118.95 114.21 2jg4 s ARG 49 Ca -0.11 0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.89 2jg4 s ARG 49 Cb 0.13 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.80 2jg4 s ARG 49 CO 0.86 -0.13 0.07 0.42 -0.81 0.00 0.00 175.30 175.71 2jg4 s ILE 50 N -0.29 4.85 -0.24 4.11 1.01 -1.26 -1.86 121.20 127.51 2jg4 s ILE 50 Ca -0.05 -0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 2jg4 s ILE 50 Cb -0.03 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2jg4 s ILE 50 CO 0.03 0.54 1.04 -0.83 0.00 0.00 0.00 174.94 175.72 2jg4 s GLY 51 N -1.16 1.68 0.12 6.18 0.00 0.13 -4.94 107.32 109.33 2jg4 s GLY 51 Ca 0.16 0.14 -0.31 0.00 0.00 0.00 0.00 44.72 44.71 2jg4 s GLY 51 CO 0.06 2.19 1.84 -1.31 0.00 0.00 0.00 173.10 175.88 2jg4 s ASN 52 N 1.27 6.42 -0.03 1.64 0.02 -1.26 -4.37 114.94 118.63 2jg4 s ASN 52 Ca 0.44 2.76 -0.02 0.00 -1.02 0.00 0.00 52.86 55.02 2jg4 s ASN 52 Cb -0.15 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.56 2jg4 s ASN 52 CO 0.07 -1.01 0.04 1.41 0.02 0.00 0.00 177.10 177.64 2jg4 n HIS 53 N 5.77 -0.16 -2.56 2.20 8.25 -1.26 -4.70 115.22 122.75 2jg4 n HIS 53 Ca 0.18 0.07 -0.43 0.00 -0.26 0.00 0.00 57.72 57.28 2jg4 n HIS 53 Cb 0.38 -0.65 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 2jg4 n HIS 53 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2jg4 s ILE 54 N -0.63 4.29 0.10 1.59 -1.09 -1.26 -4.84 121.20 119.35 2jg4 s ILE 54 Ca 0.02 1.42 -0.32 0.00 -2.23 0.00 0.00 60.65 59.54 2jg4 s ILE 54 Cb -0.00 -4.41 -0.11 0.00 -1.58 0.00 0.00 42.46 36.35 2jg4 s ILE 54 CO 0.05 -0.67 1.81 0.41 -1.23 0.00 0.00 174.94 175.31 2jg4 n THR 55 N 6.35 0.35 -4.32 2.92 -1.04 -0.81 -4.95 114.28 112.78 2jg4 n THR 55 Ca 0.13 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.05 61.91 2jg4 n THR 55 Cb 0.48 -2.02 -0.10 0.00 -1.82 0.00 0.00 70.33 66.87 2jg4 n THR 55 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2jg4 s LYS 56 N 2.70 1.41 0.30 -2.82 -2.85 -1.26 -4.45 119.74 112.77 2jg4 s LYS 56 Ca 0.83 -1.77 -0.29 0.00 -1.00 0.00 0.00 55.97 53.74 2jg4 s LYS 56 Cb -0.54 -0.24 -0.11 0.00 -2.06 0.00 0.00 37.83 34.89 2jg4 s LYS 56 CO 0.39 -0.30 1.48 0.45 0.10 0.00 0.00 175.35 177.47 2jg4 s SER 57 N -3.31 6.52 0.53 0.03 0.15 -1.26 -4.88 113.70 111.48 2jg4 s SER 57 Ca 0.38 2.83 0.28 0.00 0.70 0.00 0.00 55.95 60.14 2jg4 s SER 57 Cb 0.08 -2.64 1.43 0.00 -1.71 0.00 0.00 66.02 63.18 2jg4 s SER 57 CO 0.14 -0.78 1.94 -0.65 1.20 0.00 0.00 173.24 175.08 2jg4 h PRO 58 N 4.42 0.02 0.00 5.44 0.11 -1.90 -0.62 132.00 139.47 2jg4 h PRO 58 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jg4 h PRO 58 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jg4 h PRO 58 CO 0.74 0.01 -0.43 0.93 -0.21 0.00 0.00 178.00 179.04 2jg4 h GLU 59 N 0.02 0.00 -6.38 1.05 4.39 -1.90 -3.45 114.58 108.30 2jg4 h GLU 59 Ca 0.35 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.48 2jg4 h GLU 59 Cb 1.38 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.98 2jg4 h GLU 59 CO -0.01 0.00 0.97 0.34 -1.16 0.00 0.00 179.01 179.15 2jg4 s ASP 60 N -4.62 6.66 0.00 1.42 3.68 -0.24 -4.89 116.67 118.68 2jg4 s ASP 60 Ca 0.07 1.14 0.27 0.00 2.13 0.00 0.00 52.55 56.16 2jg4 s ASP 60 Cb 0.12 -2.54 0.80 0.00 -1.45 0.00 0.00 42.92 39.85 2jg4 s ASP 60 CO 0.69 -1.10 1.60 0.29 0.13 0.00 0.00 175.17 176.77 2jg4 n LYS 61 N 7.37 0.49 -1.28 4.34 5.02 -1.26 -4.85 118.16 127.99 2jg4 n LYS 61 Ca 0.15 -0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 55.87 2jg4 n LYS 61 Cb 0.47 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2jg4 n LYS 61 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jg4 s ARG 62 N -2.69 2.25 0.08 1.97 0.52 -1.26 -5.02 118.95 114.80 2jg4 s ARG 62 Ca 0.20 1.13 0.10 0.00 -0.52 0.00 0.00 55.73 56.64 2jg4 s ARG 62 Cb 0.19 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.73 2jg4 s ARG 62 CO 0.57 -1.64 -0.26 -1.21 0.02 0.00 0.00 175.30 172.78 2jg4 s GLU 63 N -4.92 1.60 -0.03 3.54 2.02 -0.72 -4.98 118.70 115.21 2jg4 s GLU 63 Ca 0.61 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 54.44 2jg4 s GLU 63 Cb -0.17 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.18 2jg4 s GLU 63 CO 0.56 0.47 -0.09 0.71 0.02 0.00 0.00 175.26 176.93 2jg4 s TYR 64 N -0.91 0.98 -0.08 1.61 1.51 -1.26 -0.80 117.35 118.40 2jg4 s TYR 64 Ca 0.12 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 2jg4 s TYR 64 Cb -0.10 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2jg4 s TYR 64 CO 0.04 -0.13 -0.06 0.50 -1.11 0.00 0.00 175.55 174.78 2jg4 s ARG 65 N 0.31 1.26 0.39 -0.62 3.52 -0.47 -4.56 118.95 118.78 2jg4 s ARG 65 Ca -0.05 -0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 55.26 2jg4 s ARG 65 Cb -0.10 -1.30 -0.06 0.00 -1.56 0.00 0.00 34.95 31.93 2jg4 s ARG 65 CO 0.01 -0.18 0.74 0.20 -0.81 0.00 0.00 175.30 175.25 2jg4 s GLY 66 N 1.42 1.94 -0.10 8.12 0.00 -1.26 -0.33 107.32 117.10 2jg4 s GLY 66 Ca -0.02 -0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.15 2jg4 s GLY 66 CO -0.04 -0.07 0.81 0.48 0.00 0.00 0.00 173.10 174.28 2jg4 s LEU 67 N -3.79 -0.54 -0.16 0.66 2.34 0.04 0.19 118.68 117.42 2jg4 s LEU 67 Ca 0.50 0.59 -0.01 0.00 0.06 0.00 0.00 54.13 55.27 2jg4 s LEU 67 Cb -0.10 2.26 -0.01 0.00 -0.56 0.00 0.00 46.19 47.77 2jg4 s LEU 67 CO 0.31 -0.50 -0.12 -0.70 -1.06 0.00 0.00 176.35 174.28 2jg4 s GLU 68 N -1.15 3.33 0.68 1.48 2.12 -0.78 0.74 118.70 125.12 2jg4 s GLU 68 Ca -0.07 -0.69 -0.11 0.00 0.36 0.00 0.00 54.97 54.46 2jg4 s GLU 68 Cb -0.00 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.69 2jg4 s GLU 68 CO 0.06 0.07 1.07 -0.51 -0.54 0.00 0.00 175.26 175.42 2jg4 s LEU 69 N 0.71 2.99 0.28 2.70 1.43 -0.33 -0.71 118.68 125.75 2jg4 s LEU 69 Ca -0.06 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2jg4 s LEU 69 Cb -0.15 -4.00 0.60 0.00 0.03 0.00 0.00 46.19 42.67 2jg4 s LEU 69 CO 0.02 -1.23 1.77 0.00 0.23 0.00 0.00 176.35 177.14 2jg4 h ALA 70 N -0.55 1.41 0.00 4.21 0.00 -1.63 -0.37 119.26 122.33 2jg4 h ALA 70 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jg4 h ALA 70 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jg4 h ALA 70 CO 0.63 -0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.08 2jg4 n ASN 71 N -4.83 0.00 0.00 0.00 0.23 -1.26 -4.91 115.26 104.48 2jg4 n ASN 71 Ca 0.19 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.70 2jg4 n ASN 71 Cb 0.48 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 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 0.96 0.44 3.64 4.83 0.00 -0.15 -3.35 105.19 111.57 2jg4 n GLY 72 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.77 0.03 -0.61 1.01 -1.23 -4.65 121.20 117.52 2jg4 s ILE 73 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 60.65 61.25 2jg4 s ILE 73 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 2jg4 s ILE 73 CO 0.00 -0.20 1.04 -0.54 0.00 0.00 0.00 174.94 175.25 2jg4 s LYS 74 N 4.26 4.54 -0.02 2.79 1.02 -1.15 -1.18 119.74 129.99 2jg4 s LYS 74 Ca 0.69 1.53 0.05 0.00 0.02 0.00 0.00 55.97 58.26 2jg4 s LYS 74 Cb -0.27 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 2jg4 s LYS 74 CO 0.27 -0.08 -0.17 0.08 -0.92 0.00 0.00 175.35 174.53 2jg4 s VAL 75 N 0.89 1.34 -0.12 3.17 1.01 0.23 -0.16 120.40 126.75 2jg4 s VAL 75 Ca 0.53 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2jg4 s VAL 75 Cb -0.24 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2jg4 s VAL 75 CO 0.29 0.38 -0.22 -0.22 0.00 0.00 0.00 175.10 175.33 2jg4 s LEU 76 N -0.24 2.14 -0.13 3.92 1.98 -0.11 -0.78 118.68 125.46 2jg4 s LEU 76 Ca 0.03 -0.57 -0.02 0.00 -2.89 0.00 0.00 54.13 50.68 2jg4 s LEU 76 Cb -0.08 -1.44 -0.03 0.00 0.66 0.00 0.00 46.19 45.30 2jg4 s LEU 76 CO 0.00 0.12 -0.06 -0.76 -1.89 0.00 0.00 176.35 173.76 2jg4 s LEU 77 N 0.60 3.15 -0.19 -0.68 1.43 0.55 -1.93 118.68 121.61 2jg4 s LEU 77 Ca -0.12 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 2jg4 s LEU 77 Cb -0.17 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.37 2jg4 s LEU 77 CO 0.03 0.23 -0.08 -0.63 0.23 0.00 0.00 176.35 176.12 2jg4 s ILE 78 N 0.01 1.44 -0.28 -0.59 1.01 0.38 -1.36 121.20 121.81 2jg4 s ILE 78 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2jg4 s ILE 78 Cb -0.14 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 2jg4 s ILE 78 CO 0.03 0.15 0.21 -0.55 0.00 0.00 0.00 174.94 174.77 2jg4 s SER 79 N 1.48 6.05 -0.39 3.58 0.15 0.02 -1.24 113.70 123.35 2jg4 s SER 79 Ca -0.01 0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.68 2jg4 s SER 79 Cb -0.16 -2.13 0.13 0.00 -1.71 0.00 0.00 66.02 62.16 2jg4 s SER 79 CO -0.08 -0.06 0.22 -0.62 1.20 0.00 0.00 173.24 173.90 2jg4 s ASP 80 N 1.71 3.37 0.12 5.45 -1.08 0.11 -1.76 116.67 124.60 2jg4 s ASP 80 Ca 0.08 -2.35 0.07 0.00 -0.52 0.00 0.00 52.55 49.83 2jg4 s ASP 80 Cb -0.16 -0.73 0.38 0.00 -1.46 0.00 0.00 42.92 40.94 2jg4 s ASP 80 CO 0.11 -0.30 1.16 -0.81 0.52 0.00 0.00 175.17 175.85 2jg4 n PRO 81 N 3.87 0.05 0.05 4.34 -0.04 -1.26 -1.68 135.00 140.33 2jg4 n PRO 81 Ca 0.09 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 2jg4 n PRO 81 Cb 0.36 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.02 2jg4 n PRO 81 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jg4 n THR 82 N -1.72 0.37 -1.65 0.52 -2.24 -1.26 -4.91 114.28 103.40 2jg4 n THR 82 Ca -0.00 -0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 2jg4 n THR 82 Cb 0.08 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 2jg4 n THR 82 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2jg4 n THR 83 N -2.50 1.66 0.06 4.28 5.66 -0.68 -4.91 114.28 117.84 2jg4 n THR 83 Ca -0.02 -0.41 -0.11 0.00 -3.05 0.00 0.00 64.05 60.45 2jg4 n THR 83 Cb 0.57 -1.31 -0.13 0.00 -1.55 0.00 0.00 70.33 67.92 2jg4 n THR 83 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2jg4 h ASP 84 N 2.83 0.16 -3.34 1.09 3.32 -1.94 -3.45 116.42 115.11 2jg4 h ASP 84 Ca -0.43 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 55.82 2jg4 h ASP 84 Cb 1.30 -0.05 -0.34 0.00 0.22 0.00 0.00 39.33 40.46 2jg4 h ASP 84 CO 0.66 1.16 -0.84 -0.54 -1.72 0.00 0.00 179.24 177.95 2jg4 s LYS 85 N -2.67 2.36 0.70 3.56 1.02 -1.26 -2.06 119.74 121.39 2jg4 s LYS 85 Ca -0.02 -0.63 -0.05 0.00 0.02 0.00 0.00 55.97 55.29 2jg4 s LYS 85 Cb 0.09 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.59 2jg4 s LYS 85 CO 0.84 0.05 0.99 -1.12 -0.92 0.00 0.00 175.35 175.20 2jg4 s SER 86 N 0.65 4.64 -0.23 2.83 0.01 0.34 -4.82 113.70 117.11 2jg4 s SER 86 Ca -0.13 0.17 -0.26 0.00 1.31 0.00 0.00 55.95 57.03 2jg4 s SER 86 Cb -0.16 -0.75 0.09 0.00 0.21 0.00 0.00 66.02 65.41 2jg4 s SER 86 CO 0.04 -1.68 0.83 -0.55 0.41 0.00 0.00 173.24 172.30 2jg4 s SER 87 N -4.58 -0.61 0.03 2.44 0.15 -0.26 -1.68 113.70 109.18 2jg4 s SER 87 Ca 0.62 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.36 2jg4 s SER 87 Cb -0.09 1.06 -0.02 0.00 -1.71 0.00 0.00 66.02 65.26 2jg4 s SER 87 CO 0.44 -0.28 -0.04 0.00 1.20 0.00 0.00 173.24 174.57 2jg4 s ALA 88 N -0.00 0.26 -0.03 5.45 0.00 -1.01 -0.39 121.76 126.03 2jg4 s ALA 88 Ca -0.01 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.15 2jg4 s ALA 88 Cb -0.04 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.25 2jg4 s ALA 88 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 175.76 175.73 2jg4 s ALA 89 N -1.97 -0.38 -0.03 0.00 0.00 -0.64 -1.52 121.76 117.22 2jg4 s ALA 89 Ca -0.10 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.10 2jg4 s ALA 89 Cb -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2jg4 s ALA 89 CO -0.03 -0.14 -0.20 -1.17 0.00 0.00 0.00 175.76 174.22 2jg4 s LEU 90 N -0.61 1.99 -0.14 0.00 0.20 -0.24 -1.70 118.68 118.18 2jg4 s LEU 90 Ca -0.07 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.39 2jg4 s LEU 90 Cb -0.04 -1.07 0.01 0.00 -0.43 0.00 0.00 46.19 44.66 2jg4 s LEU 90 CO 0.01 0.21 -0.21 -0.62 -0.29 0.00 0.00 176.35 175.44 2jg4 s ASP 91 N -0.21 3.17 -0.30 3.68 2.15 -0.35 -0.80 116.67 124.02 2jg4 s ASP 91 Ca 0.01 -0.59 -0.12 0.00 0.43 0.00 0.00 52.55 52.28 2jg4 s ASP 91 Cb -0.10 -1.46 -0.04 0.00 -0.30 0.00 0.00 42.92 41.02 2jg4 s ASP 91 CO 0.01 0.08 0.23 -0.69 -0.17 0.00 0.00 175.17 174.63 2jg4 s VAL 92 N 0.82 5.29 0.00 1.11 1.01 0.06 -1.08 120.40 127.60 2jg4 s VAL 92 Ca -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2jg4 s VAL 92 Cb -0.15 -3.60 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 2jg4 s VAL 92 CO -0.02 0.17 2.39 1.57 0.00 0.00 0.00 175.10 179.21 2jg4 n HIS 93 N 5.11 0.00 -4.06 5.22 -0.00 0.99 -1.37 115.22 121.12 2jg4 n HIS 93 Ca -0.13 -0.92 -0.14 0.00 0.46 0.00 0.00 57.72 56.99 2jg4 n HIS 93 Cb 0.51 -1.10 -0.14 0.00 -0.12 0.00 0.00 29.99 29.14 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 1.67 0.30 0.00 3.57 -1.09 -0.85 -4.75 121.20 120.05 2jg4 s ILE 94 Ca 0.39 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.46 2jg4 s ILE 94 Cb 0.19 -0.30 0.00 0.00 -1.58 0.00 0.00 42.46 40.77 2jg4 s ILE 94 CO 0.00 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 2jg4 n GLY 95 N 2.64 3.71 0.28 6.18 0.00 -1.22 -1.55 105.19 115.23 2jg4 n GLY 95 Ca -0.15 -1.07 0.18 0.00 0.00 0.00 0.00 46.02 44.97 2jg4 n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jg4 h SER 96 N 0.00 0.00 0.12 1.61 4.64 -0.83 -0.59 113.55 118.50 2jg4 h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jg4 h SER 96 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2jg4 h SER 96 CO 0.00 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.85 2jg4 n LEU 97 N -3.04 0.57 -1.06 5.97 7.94 -0.49 -1.32 117.00 125.57 2jg4 n LEU 97 Ca 0.00 0.74 0.09 0.00 -1.11 0.00 0.00 56.01 55.73 2jg4 n LEU 97 Cb 0.28 -0.79 0.25 0.00 0.53 0.00 0.00 43.42 43.69 2jg4 n LEU 97 CO 0.26 -0.89 0.72 -1.20 -1.11 0.00 0.00 177.39 175.17 2jg4 n SER 98 N -2.24 3.62 -4.77 1.96 7.64 -0.23 -4.89 113.62 114.71 2jg4 n SER 98 Ca -0.01 -2.10 -0.40 0.00 1.01 0.00 0.00 58.87 57.37 2jg4 n SER 98 Cb 0.07 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 -1.04 6.25 0.33 6.43 -0.00 -0.43 -4.95 116.67 123.26 2jg4 s ASP 99 Ca 0.38 2.79 -0.29 0.00 -0.00 0.00 0.00 52.55 55.43 2jg4 s ASP 99 Cb 0.21 -2.65 -0.11 0.00 -0.00 0.00 0.00 42.92 40.38 2jg4 s ASP 99 CO 0.24 -0.90 1.42 -2.16 -0.00 0.00 0.00 175.17 173.76 2jg4 s PRO 100 N -2.22 4.23 0.48 8.23 0.04 -1.26 -4.87 135.00 139.64 2jg4 s PRO 100 Ca 0.56 2.38 0.29 0.00 0.04 0.00 0.00 61.00 64.28 2jg4 s PRO 100 Cb -0.41 -3.04 1.37 0.00 0.04 0.00 0.00 34.50 32.46 2jg4 s PRO 100 CO 0.53 -0.39 1.80 -1.35 0.04 0.00 0.00 177.00 177.64 2jg4 h PRO 101 N 3.73 0.15 -0.71 0.56 0.11 -1.99 0.53 132.00 134.38 2jg4 h PRO 101 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jg4 h PRO 101 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jg4 h PRO 101 CO 0.69 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 2jg4 n ASN 102 N -4.37 4.35 -3.20 -2.05 2.04 -1.26 -4.53 115.26 106.24 2jg4 n ASN 102 Ca 0.25 -2.20 -0.22 0.00 -0.44 0.00 0.00 54.58 51.96 2jg4 n ASN 102 Cb 1.07 -0.54 -0.07 0.00 -2.53 0.00 0.00 39.78 37.71 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 1.44 -0.81 -1.85 1.53 5.41 0.18 -4.83 119.36 120.43 2jg4 n ILE 103 Ca 0.25 -3.23 -0.41 0.00 1.00 0.00 0.00 62.75 60.36 2jg4 n ILE 103 Cb 0.75 -1.23 -0.02 0.00 -0.71 0.00 0.00 39.64 38.43 2jg4 n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jg4 s ALA 104 N -0.26 3.71 0.00 -1.39 0.00 -1.25 -2.94 121.76 119.63 2jg4 s ALA 104 Ca 0.33 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.79 2jg4 s ALA 104 Cb 0.10 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2jg4 s ALA 104 CO -0.16 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2jg4 n GLY 105 N 2.16 0.74 0.13 0.00 0.00 -1.21 -4.32 105.19 102.69 2jg4 n GLY 105 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.14 -1.04 0.99 5.85 -1.82 0.46 115.31 119.89 2jg4 h LEU 106 Ca 0.00 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 2jg4 h LEU 106 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2jg4 h LEU 106 CO 0.00 0.12 -0.47 0.77 -0.34 0.00 0.00 178.44 178.52 2jg4 h SER 107 N 0.24 0.02 -0.17 1.25 4.64 -1.89 0.61 113.55 118.26 2jg4 h SER 107 Ca 0.12 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 2jg4 h SER 107 Cb 0.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2jg4 h SER 107 CO -0.11 0.49 -0.24 -0.74 -0.87 0.00 0.00 176.83 175.36 2jg4 h HIS 108 N 0.02 0.71 -0.20 4.77 -0.00 -1.73 -2.74 115.15 115.98 2jg4 h HIS 108 Ca -0.00 -0.16 -0.05 0.00 -0.00 0.00 0.00 60.37 60.16 2jg4 h HIS 108 Cb 0.84 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 2jg4 h HIS 108 CO 0.00 0.81 -0.08 0.35 -0.00 0.00 0.00 177.93 179.01 2jg4 h PHE 109 N 0.55 0.46 -0.70 5.26 3.57 0.14 -2.90 116.94 123.33 2jg4 h PHE 109 Ca 0.08 -0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.62 2jg4 h PHE 109 Cb 0.71 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.23 2jg4 h PHE 109 CO 0.03 0.69 0.06 0.00 -2.23 0.00 0.00 178.31 176.86 2jg4 h GLU 111 N 0.16 0.12 -0.27 0.00 4.81 -1.28 -1.51 114.58 116.61 2jg4 h GLU 111 Ca 0.38 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 2jg4 h GLU 111 Cb 0.65 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2jg4 h GLU 111 CO -0.57 0.08 -0.00 0.45 -0.73 0.00 0.00 179.01 178.24 2jg4 h HIS 112 N 0.13 0.53 0.00 0.92 3.86 -1.10 -3.26 115.15 116.21 2jg4 h HIS 112 Ca 0.35 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2jg4 h HIS 112 Cb 0.57 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 2jg4 h HIS 112 CO -0.37 0.64 -0.17 0.52 0.86 0.00 0.00 177.93 179.41 2jg4 h MET 113 N 0.26 0.00 0.00 2.45 2.86 -0.66 -2.56 114.93 117.28 2jg4 h MET 113 Ca 0.08 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2jg4 h MET 113 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2jg4 h MET 113 CO 0.01 0.17 -0.17 -0.07 1.06 0.00 0.00 176.91 177.91 2jg4 h LEU 114 N 0.00 0.00 -0.10 1.22 3.38 -1.34 -2.67 115.31 115.81 2jg4 h LEU 114 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jg4 h LEU 114 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jg4 h LEU 114 CO 0.02 0.17 0.00 0.49 0.09 0.00 0.00 178.44 179.22 2jg4 n PHE 115 N -3.65 0.18 -1.07 1.13 3.01 -0.97 -4.22 117.46 111.88 2jg4 n PHE 115 Ca -0.01 0.06 0.03 0.00 1.01 0.00 0.00 57.45 58.54 2jg4 n PHE 115 Cb 0.30 -0.60 0.28 0.00 -0.01 0.00 0.00 39.48 39.45 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 -1.66 4.71 0.00 4.37 4.77 -1.00 -4.70 117.00 123.49 2jg4 n LEU 116 Ca 0.04 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2jg4 n LEU 116 Cb 0.25 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2jg4 n LEU 116 CO 0.20 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2jg4 n GLY 117 N -0.39 4.33 3.51 -0.72 0.00 -1.26 -4.31 105.19 106.35 2jg4 n GLY 117 Ca 0.29 -1.20 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.97 0.62 0.03 2.61 -4.23 -0.79 0.05 115.64 112.96 2jg4 s THR 118 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 2jg4 s THR 118 Cb 0.00 -2.37 -0.15 0.00 1.34 0.00 0.00 72.50 71.32 2jg4 s THR 118 CO 0.00 0.00 1.38 0.11 -0.54 0.00 0.00 174.62 175.57 2jg4 h LYS 119 N 1.81 0.24 0.00 3.99 1.57 -1.66 -2.57 116.57 119.96 2jg4 h LYS 119 Ca -0.35 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.26 2jg4 h LYS 119 Cb 1.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2jg4 h LYS 119 CO 0.57 0.59 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.56 2jg4 h LYS 120 N -0.12 0.00 -2.64 3.15 3.64 -1.96 -3.35 116.57 115.29 2jg4 h LYS 120 Ca 0.02 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.80 2jg4 h LYS 120 Cb 0.52 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.95 2jg4 h LYS 120 CO 0.02 0.26 -0.83 0.71 -2.27 0.00 0.00 179.45 177.34 2jg4 s TYR 121 N -4.35 1.93 0.21 1.91 1.51 -1.14 -5.01 117.35 112.40 2jg4 s TYR 121 Ca -0.03 -2.63 -0.10 0.00 -1.01 0.00 0.00 57.07 53.29 2jg4 s TYR 121 Cb 0.15 -1.55 0.16 0.00 -0.11 0.00 0.00 41.96 40.60 2jg4 s TYR 121 CO 0.69 -0.74 1.88 -1.35 -1.11 0.00 0.00 175.55 174.92 2jg4 h PRO 122 N 5.69 0.96 -6.22 -1.71 0.11 -1.61 -2.10 132.00 127.13 2jg4 h PRO 122 Ca 0.20 -0.06 -0.65 0.00 0.11 0.00 0.00 66.00 65.61 2jg4 h PRO 122 Cb 0.86 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.77 2jg4 h PRO 122 CO 0.49 0.64 1.09 1.63 -0.21 0.00 0.00 178.00 181.64 2jg4 n LYS 123 N -4.58 1.87 0.29 1.05 4.01 -1.26 -4.55 118.16 114.98 2jg4 n LYS 123 Ca 0.07 0.67 0.13 0.00 -0.51 0.00 0.00 58.31 58.67 2jg4 n LYS 123 Cb 0.02 -2.53 0.68 0.00 -0.51 0.00 0.00 35.03 32.70 2jg4 n LYS 123 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2jg4 h GLU 124 N 9.19 0.00 0.00 1.97 4.11 -1.86 0.10 114.58 128.09 2jg4 h GLU 124 Ca -0.46 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.93 2jg4 h GLU 124 Cb 1.28 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.45 2jg4 h GLU 124 CO 0.96 0.00 -0.48 0.27 0.07 0.00 0.00 179.01 179.82 2jg4 n ASN 125 N -2.65 1.38 -0.14 3.06 2.04 -1.26 -4.17 115.26 113.52 2jg4 n ASN 125 Ca -0.02 -2.87 -0.04 0.00 -0.44 0.00 0.00 54.58 51.21 2jg4 n ASN 125 Cb 0.36 -0.38 0.05 0.00 -2.53 0.00 0.00 39.78 37.27 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 0.53 0.25 0.26 -3.83 4.22 -1.12 -0.48 114.58 114.39 2jg4 h GLU 126 Ca -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2jg4 h GLU 126 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2jg4 h GLU 126 CO 0.02 0.16 -0.23 -0.92 -2.18 0.00 0.00 179.01 175.86 2jg4 h TYR 127 N 0.25 -0.64 0.00 0.92 5.03 -1.88 -0.58 116.97 120.08 2jg4 h TYR 127 Ca 0.22 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 2jg4 h TYR 127 Cb 0.27 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.79 2jg4 h TYR 127 CO -0.20 -0.32 -0.01 0.66 -1.32 0.00 0.00 178.16 176.97 2jg4 h SER 128 N -0.48 0.00 0.04 -2.11 4.64 -1.86 -1.48 113.55 112.29 2jg4 h SER 128 Ca -0.03 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.07 2jg4 h SER 128 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2jg4 h SER 128 CO -0.02 0.01 -0.87 -0.61 -0.87 0.00 0.00 176.83 174.47 2jg4 h GLN 129 N 0.00 0.52 -0.40 4.77 4.15 -1.01 -2.22 115.11 120.92 2jg4 h GLN 129 Ca -0.00 -0.61 0.03 0.00 0.77 0.00 0.00 58.65 58.83 2jg4 h GLN 129 Cb 0.39 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2jg4 h GLN 129 CO 0.00 1.24 0.21 0.35 -1.93 0.00 0.00 178.83 178.70 2jg4 h PHE 130 N 0.07 0.39 -0.66 3.99 3.57 -0.41 -0.53 116.94 123.36 2jg4 h PHE 130 Ca -0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 2jg4 h PHE 130 Cb 1.57 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 2jg4 h PHE 130 CO 0.14 0.21 0.20 -0.07 -2.23 0.00 0.00 178.31 176.55 2jg4 h LEU 131 N 0.42 0.94 -0.63 0.59 3.38 -1.38 -2.81 115.31 115.83 2jg4 h LEU 131 Ca 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jg4 h LEU 131 Cb 0.06 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2jg4 h LEU 131 CO -0.11 0.89 0.39 -1.28 0.09 0.00 0.00 178.44 178.42 2jg4 h SER 132 N 0.98 0.75 -0.01 -0.43 0.87 -0.74 0.25 113.55 115.22 2jg4 h SER 132 Ca 0.21 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2jg4 h SER 132 Cb 0.29 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2jg4 h SER 132 CO -0.01 0.57 0.00 -0.62 -0.53 0.00 0.00 176.83 176.25 2jg4 n GLU 133 N -4.61 1.06 -0.99 2.24 1.02 -0.27 -3.43 120.64 115.66 2jg4 n GLU 133 Ca 0.05 -0.08 0.05 0.00 -0.02 0.00 0.00 57.16 57.15 2jg4 n GLU 133 Cb 0.05 -1.42 0.10 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.83 0.00 -2.63 -0.32 8.25 -0.93 -4.62 115.22 114.14 2jg4 n HIS 134 Ca 0.20 -0.86 -0.21 0.00 -0.26 0.00 0.00 57.72 56.60 2jg4 n HIS 134 Cb 0.11 -0.18 0.01 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 -0.27 -0.76 -2.35 -1.41 0.00 -1.08 -1.78 120.51 112.86 2jg4 n ALA 135 Ca 0.11 0.20 -0.25 0.00 0.00 0.00 0.00 53.44 53.50 2jg4 n ALA 135 Cb 0.91 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.28 2.30 0.25 0.00 0.00 0.84 -4.19 107.32 104.24 2jg4 s GLY 136 Ca 0.11 -1.39 -0.15 0.00 0.00 0.00 0.00 44.72 43.28 2jg4 s GLY 136 CO 0.13 -1.90 0.54 -1.35 0.00 0.00 0.00 173.10 170.52 2jg4 s SER 137 N -4.30 -0.15 0.10 1.64 1.04 -0.43 -4.33 113.70 107.27 2jg4 s SER 137 Ca 0.37 -0.80 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 2jg4 s SER 137 Cb -0.02 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2jg4 s SER 137 CO 0.23 -1.18 0.38 -0.55 0.98 0.00 0.00 173.24 173.10 2jg4 s SER 138 N -2.98 -0.22 0.19 7.02 0.15 -1.26 -1.36 113.70 115.24 2jg4 s SER 138 Ca 0.18 -0.26 -0.22 0.00 0.70 0.00 0.00 55.95 56.35 2jg4 s SER 138 Cb -0.02 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 2jg4 s SER 138 CO 0.07 -0.79 1.04 0.21 1.20 0.00 0.00 173.24 174.97 2jg4 s ASN 139 N -2.59 0.00 0.07 5.45 3.84 -0.50 -5.01 114.94 116.21 2jg4 s ASN 139 Ca 0.01 -0.68 -0.26 0.00 0.21 0.00 0.00 52.86 52.14 2jg4 s ASN 139 Cb 0.01 0.50 0.08 0.00 -0.55 0.00 0.00 41.25 41.30 2jg4 s ASN 139 CO -0.09 -1.00 0.73 0.00 -2.79 0.00 0.00 177.10 173.95 2jg4 s ALA 140 N -2.18 -1.71 0.04 1.71 0.00 -1.26 -1.58 121.76 116.78 2jg4 s ALA 140 Ca 0.22 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2jg4 s ALA 140 Cb -0.03 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 2jg4 s ALA 140 CO 0.05 -0.69 -0.02 -0.59 0.00 0.00 0.00 175.76 174.52 2jg4 s PHE 141 N -3.19 0.44 -0.15 0.00 -0.71 -0.60 -5.01 117.98 108.77 2jg4 s PHE 141 Ca 0.01 -0.91 0.02 0.00 -1.04 0.00 0.00 56.93 55.00 2jg4 s PHE 141 Cb -0.01 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.49 2jg4 s PHE 141 CO -0.09 -0.34 -0.19 0.99 -1.34 0.00 0.00 175.22 174.25 2jg4 s THR 142 N -3.30 1.88 0.00 -4.49 2.01 -1.26 -1.28 115.64 109.20 2jg4 s THR 142 Ca 0.01 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2jg4 s THR 142 Cb 0.03 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2jg4 s THR 142 CO -0.08 0.51 0.00 -1.54 -0.69 0.00 0.00 174.62 172.83 2jg4 n SER 143 N 4.38 1.07 0.01 3.53 3.41 -0.07 -4.92 113.62 121.02 2jg4 n SER 143 Ca -0.20 -0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 57.85 2jg4 n SER 143 Cb 0.51 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.70 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 0.00 0.53 0.00 5.00 0.00 -1.94 -0.51 103.07 106.16 2jg4 h GLY 144 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jg4 h GLY 144 CO 0.00 0.35 0.00 1.18 0.00 0.00 0.00 176.54 178.07 2jg4 n GLU 145 N -4.18 1.30 -3.79 4.80 1.02 -1.26 -1.40 120.64 117.13 2jg4 n GLU 145 Ca 0.00 -0.94 -0.13 0.00 -0.02 0.00 0.00 57.16 56.07 2jg4 n GLU 145 Cb 0.34 -0.83 -0.11 0.00 -0.02 0.00 0.00 31.44 30.83 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 -0.49 -0.24 -0.15 -0.32 3.76 -1.16 -2.00 115.29 114.70 2jg4 s HIS 146 Ca 0.00 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 2jg4 s HIS 146 Cb 0.00 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.79 2jg4 s HIS 146 CO 0.00 -0.19 -0.16 0.99 -0.85 0.00 0.00 174.74 174.54 2jg4 s THR 147 N -0.23 1.67 -0.13 1.30 2.01 -0.47 -0.89 115.64 118.91 2jg4 s THR 147 Ca -0.03 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2jg4 s THR 147 Cb -0.03 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2jg4 s THR 147 CO 0.01 0.48 -0.20 0.21 -0.69 0.00 0.00 174.62 174.43 2jg4 s ASN 148 N 1.38 3.34 -0.03 3.53 3.84 -0.40 -0.76 114.94 125.85 2jg4 s ASN 148 Ca 0.04 -0.53 0.07 0.00 0.21 0.00 0.00 52.86 52.65 2jg4 s ASN 148 Cb -0.13 -1.48 -0.02 0.00 -0.55 0.00 0.00 41.25 39.07 2jg4 s ASN 148 CO -0.10 0.11 -0.23 -0.31 -2.79 0.00 0.00 177.10 173.78 2jg4 s TYR 149 N 0.64 2.13 -0.01 0.43 1.51 0.02 -1.55 117.35 120.51 2jg4 s TYR 149 Ca -0.10 -0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 55.29 2jg4 s TYR 149 Cb -0.16 -1.38 0.04 0.00 -0.11 0.00 0.00 41.96 40.35 2jg4 s TYR 149 CO 0.02 -0.08 0.45 1.52 -1.11 0.00 0.00 175.55 176.35 2jg4 s TYR 150 N -0.44 -0.35 0.06 2.71 -0.85 -0.62 -1.08 117.35 116.78 2jg4 s TYR 150 Ca 0.06 0.53 -0.07 0.00 -0.52 0.00 0.00 57.07 57.07 2jg4 s TYR 150 Cb -0.10 0.22 -0.01 0.00 0.38 0.00 0.00 41.96 42.45 2jg4 s TYR 150 CO 0.00 -0.50 0.14 -0.59 -1.52 0.00 0.00 175.55 173.08 2jg4 s PHE 151 N -1.54 0.19 0.30 -3.49 -0.12 -0.57 -1.40 117.98 111.35 2jg4 s PHE 151 Ca -0.11 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.29 2jg4 s PHE 151 Cb -0.03 -0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.18 2jg4 s PHE 151 CO 0.05 -0.45 -0.08 0.16 -0.05 0.00 0.00 175.22 174.84 2jg4 s ASP 152 N -2.50 3.20 -0.02 1.98 3.84 -0.46 -2.39 116.67 120.32 2jg4 s ASP 152 Ca 0.00 -1.18 -0.29 0.00 -0.00 0.00 0.00 52.55 51.09 2jg4 s ASP 152 Cb 0.02 -0.25 0.09 0.00 -1.38 0.00 0.00 42.92 41.41 2jg4 s ASP 152 CO -0.08 -0.26 0.79 0.54 -0.00 0.00 0.00 175.17 176.16 2jg4 s VAL 153 N -2.82 0.00 0.10 2.11 0.11 -0.68 -1.32 120.40 117.91 2jg4 s VAL 153 Ca 0.31 0.00 -0.35 0.00 -2.93 0.00 0.00 61.98 59.00 2jg4 s VAL 153 Cb 0.03 -1.00 -0.18 0.00 -1.53 0.00 0.00 36.38 33.70 2jg4 s VAL 153 CO 0.14 0.00 1.08 -0.24 -3.33 0.00 0.00 175.10 172.75 2jg4 n SER 154 N 0.30 0.60 0.17 3.54 2.88 -0.73 -0.50 113.62 119.88 2jg4 n SER 154 Ca -0.14 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.64 2jg4 n SER 154 Cb 0.60 -1.07 0.53 0.00 -0.75 0.00 0.00 64.21 63.52 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 3.16 0.00 0.00 0.66 2.07 -1.71 0.16 115.15 119.49 2jg4 h HIS 155 Ca -0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 2jg4 h HIS 155 Cb 1.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.36 2jg4 h HIS 155 CO 0.55 0.00 -0.26 0.39 -3.07 0.00 0.00 177.93 175.54 2jg4 n GLU 156 N -2.23 0.23 -0.43 5.12 1.02 -1.26 -4.19 120.64 118.90 2jg4 n GLU 156 Ca -0.01 0.14 0.06 0.00 -0.02 0.00 0.00 57.16 57.32 2jg4 n GLU 156 Cb 0.15 -1.72 0.19 0.00 -0.02 0.00 0.00 31.44 30.04 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 -2.09 0.27 0.03 -0.32 8.25 0.55 -4.76 115.22 117.15 2jg4 n HIS 157 Ca 0.05 -1.28 -0.12 0.00 -0.26 0.00 0.00 57.72 56.11 2jg4 n HIS 157 Cb 0.42 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 31.20 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 0.73 0.02 -0.67 2.41 6.46 -1.73 -1.49 115.31 121.05 2jg4 h LEU 158 Ca 0.03 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2jg4 h LEU 158 Cb 1.15 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.04 2jg4 h LEU 158 CO 0.08 0.02 0.43 -0.08 -0.62 0.00 0.00 178.44 178.27 2jg4 h GLU 159 N 0.03 0.89 -0.72 1.25 4.81 -1.92 0.25 114.58 119.16 2jg4 h GLU 159 Ca 0.01 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2jg4 h GLU 159 Cb -0.00 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2jg4 h GLU 159 CO -0.00 0.60 0.24 0.78 -0.73 0.00 0.00 179.01 179.91 2jg4 h GLY 160 N 0.91 1.19 0.68 1.92 0.00 -1.88 -1.75 103.07 104.14 2jg4 h GLY 160 Ca 0.24 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 2jg4 h GLY 160 CO -0.05 0.64 -0.51 0.00 0.00 0.00 0.00 176.54 176.62 2jg4 h ALA 161 N 1.19 0.06 -0.45 3.60 0.00 -1.02 -3.19 119.26 119.45 2jg4 h ALA 161 Ca 0.24 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 2jg4 h ALA 161 Cb 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2jg4 h ALA 161 CO -0.01 0.28 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 2jg4 h LEU 162 N -0.23 0.71 0.64 0.00 5.85 -0.44 -0.34 115.31 121.50 2jg4 h LEU 162 Ca -0.07 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2jg4 h LEU 162 Cb 1.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2jg4 h LEU 162 CO 0.10 0.79 -0.47 -0.78 -0.34 0.00 0.00 178.44 177.74 2jg4 h ASP 163 N 0.69 -1.23 -1.01 1.25 1.82 -1.43 0.29 116.42 116.82 2jg4 h ASP 163 Ca 0.13 0.08 0.23 0.00 -0.39 0.00 0.00 57.03 57.09 2jg4 h ASP 163 Cb 0.45 0.38 -0.11 0.00 0.68 0.00 0.00 39.33 40.73 2jg4 h ASP 163 CO 0.02 -0.69 0.62 0.03 -1.61 0.00 0.00 179.24 177.61 2jg4 h ARG 164 N -1.07 0.59 -0.09 0.28 3.08 -1.45 -1.78 114.38 113.92 2jg4 h ARG 164 Ca -0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2jg4 h ARG 164 Cb 0.89 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 2jg4 h ARG 164 CO 0.03 0.39 -0.01 0.35 -1.07 0.00 0.00 179.97 179.66 2jg4 h PHE 165 N 0.60 0.19 -0.01 3.04 3.04 -0.55 -3.07 116.94 120.19 2jg4 h PHE 165 Ca 0.61 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.52 2jg4 h PHE 165 Cb 1.16 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 2jg4 h PHE 165 CO -0.00 0.46 0.04 0.00 -2.02 0.00 0.00 178.31 176.78 2jg4 h ALA 166 N 0.71 1.16 0.00 2.41 0.00 0.46 -2.08 119.26 121.92 2jg4 h ALA 166 Ca 0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2jg4 h ALA 166 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jg4 h ALA 166 CO 0.01 -0.04 -0.39 1.96 0.00 0.00 0.00 179.25 180.79 2jg4 h GLN 167 N 0.00 0.00 -0.26 0.00 1.08 -1.39 -2.64 115.11 111.90 2jg4 h GLN 167 Ca 0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 2jg4 h GLN 167 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2jg4 h GLN 167 CO -0.00 0.39 0.39 0.74 -0.95 0.00 0.00 178.83 179.40 2jg4 h PHE 168 N 0.00 0.00 -0.01 2.96 -1.00 -1.51 -1.39 116.94 115.99 2jg4 h PHE 168 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jg4 h PHE 168 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 2jg4 h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 2jg4 n PHE 169 N -3.44 0.02 0.00 -0.55 3.72 -1.00 -4.34 117.46 111.87 2jg4 n PHE 169 Ca 0.04 -0.87 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 2jg4 n PHE 169 Cb 0.52 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 -1.18 0.87 -2.68 4.37 4.77 -0.58 -4.75 117.00 117.80 2jg4 n LEU 170 Ca 0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.05 2jg4 n LEU 170 Cb 0.55 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.71 2jg4 n LEU 170 CO 0.01 0.14 0.52 0.00 -1.33 0.00 0.00 177.39 176.73 2jg4 s PRO 172 N 0.24 2.64 -0.07 0.00 0.04 -1.25 -1.80 135.00 134.80 2jg4 s PRO 172 Ca 0.27 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 2jg4 s PRO 172 Cb 0.21 -1.89 -0.27 0.00 0.04 0.00 0.00 34.50 32.59 2jg4 s PRO 172 CO -0.11 -1.47 0.91 -0.07 0.04 0.00 0.00 177.00 176.30 2jg4 h LEU 173 N 0.43 0.25 -1.77 -3.56 3.38 -0.66 -3.45 115.31 109.92 2jg4 h LEU 173 Ca -0.49 -0.90 -0.44 0.00 0.09 0.00 0.00 57.88 56.13 2jg4 h LEU 173 Cb 1.30 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 42.00 2jg4 h LEU 173 CO 0.53 1.13 -0.84 0.49 0.09 0.00 0.00 178.44 179.84 2jg4 n PHE 174 N -4.40 -1.87 -1.54 1.13 3.01 -1.26 -4.87 117.46 107.66 2jg4 n PHE 174 Ca -0.11 0.82 -0.51 0.00 1.01 0.00 0.00 57.45 58.66 2jg4 n PHE 174 Cb 0.61 -4.24 -0.05 0.00 -0.01 0.00 0.00 39.48 35.79 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 -3.03 0.70 -0.30 4.37 2.03 -1.26 -4.83 116.55 114.23 2jg4 n ASP 175 Ca -0.29 1.14 -0.05 0.00 0.52 0.00 0.00 54.79 56.12 2jg4 n ASP 175 Cb 0.67 -1.11 0.09 0.00 -0.72 0.00 0.00 41.12 40.05 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 3.02 1.19 -0.04 -0.67 4.57 -2.01 -1.90 114.58 118.75 2jg4 h GLU 176 Ca -0.43 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.44 2jg4 h GLU 176 Cb 1.38 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 2jg4 h GLU 176 CO 0.68 0.93 -0.55 1.03 -1.18 0.00 0.00 179.01 179.91 2jg4 h SER 177 N 1.18 0.12 -0.09 1.04 0.87 -2.01 -2.93 113.55 111.72 2jg4 h SER 177 Ca 0.28 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 2jg4 h SER 177 Cb 0.13 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2jg4 h SER 177 CO -0.03 0.65 -0.27 0.00 -0.53 0.00 0.00 176.83 176.65 2jg4 h LYS 179 N 0.47 -0.27 -0.90 0.00 3.64 -1.18 0.98 116.57 119.31 2jg4 h LYS 179 Ca 0.06 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2jg4 h LYS 179 Cb 0.71 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.53 2jg4 h LYS 179 CO 0.05 -0.18 0.58 -0.44 -2.27 0.00 0.00 179.45 177.19 2jg4 h ASP 180 N -0.28 0.79 0.11 4.20 3.32 -1.55 -2.22 116.42 120.79 2jg4 h ASP 180 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2jg4 h ASP 180 Cb 0.26 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jg4 h ASP 180 CO -0.03 0.46 -0.05 0.03 -1.72 0.00 0.00 179.24 177.93 2jg4 h ARG 181 N 0.87 -0.14 0.00 3.56 3.08 -1.34 -3.37 114.38 117.03 2jg4 h ARG 181 Ca 0.42 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 2jg4 h ARG 181 Cb 0.45 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jg4 h ARG 181 CO -0.18 0.09 -0.01 1.49 -1.07 0.00 0.00 179.97 180.29 2jg4 h GLU 182 N -1.01 0.00 -0.09 0.04 4.57 -0.77 -1.31 114.58 116.01 2jg4 h GLU 182 Ca -0.02 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 2jg4 h GLU 182 Cb 0.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2jg4 h GLU 182 CO 0.03 0.01 0.06 -0.24 -1.18 0.00 0.00 179.01 177.69 2jg4 h VAL 183 N 0.00 0.94 -0.07 0.32 3.04 -1.56 -1.80 116.25 117.12 2jg4 h VAL 183 Ca -0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.52 2jg4 h VAL 183 Cb 0.04 0.95 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2jg4 h VAL 183 CO 0.00 0.00 -0.69 0.78 -1.01 0.00 0.00 177.57 176.65 2jg4 h ASN 184 N 0.00 0.38 -0.63 3.17 4.21 -1.44 -1.04 115.58 120.22 2jg4 h ASN 184 Ca 0.04 -0.24 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 2jg4 h ASN 184 Cb 0.17 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 2jg4 h ASN 184 CO -0.00 0.95 0.34 0.00 -1.29 0.00 0.00 177.43 177.44 2jg4 h ALA 185 N 1.04 0.81 -0.01 -0.83 0.00 -1.44 0.19 119.26 119.02 2jg4 h ALA 185 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jg4 h ALA 185 Cb 1.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jg4 h ALA 185 CO 0.11 0.34 0.00 0.28 0.00 0.00 0.00 179.25 179.98 2jg4 h VAL 186 N 0.87 1.22 -0.23 0.00 2.07 -1.37 -1.09 116.25 117.71 2jg4 h VAL 186 Ca 0.22 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.13 2jg4 h VAL 186 Cb 0.05 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2jg4 h VAL 186 CO -0.04 0.17 -0.07 -0.78 0.02 0.00 0.00 177.57 176.88 2jg4 h ASP 187 N -0.25 -0.24 -0.99 0.57 3.58 -0.95 -0.31 116.42 117.85 2jg4 h ASP 187 Ca 0.00 0.07 0.14 0.00 0.42 0.00 0.00 57.03 57.66 2jg4 h ASP 187 Cb 0.28 0.15 -0.09 0.00 1.72 0.00 0.00 39.33 41.40 2jg4 h ASP 187 CO 0.00 -0.09 0.62 -1.28 -2.88 0.00 0.00 179.24 175.62 2jg4 h SER 188 N -0.01 0.86 0.06 2.28 0.87 -0.61 0.28 113.55 117.28 2jg4 h SER 188 Ca 0.11 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2jg4 h SER 188 Cb 0.18 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2jg4 h SER 188 CO -0.25 0.43 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.38 2jg4 h GLU 189 N 0.91 -0.08 -0.57 2.24 4.81 0.21 -2.12 114.58 119.99 2jg4 h GLU 189 Ca 0.50 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 2jg4 h GLU 189 Cb 0.59 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2jg4 h GLU 189 CO -0.27 -0.01 0.30 1.25 -0.73 0.00 0.00 179.01 179.54 2jg4 h HIS 190 N -0.12 0.79 -0.79 0.92 2.76 -0.56 -2.99 115.15 115.17 2jg4 h HIS 190 Ca -0.01 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.30 2jg4 h HIS 190 Cb 0.10 -0.25 -0.11 0.00 1.55 0.00 0.00 27.41 28.70 2jg4 h HIS 190 CO -0.06 0.58 0.30 1.49 -1.30 0.00 0.00 177.93 178.94 2jg4 h GLU 191 N 0.76 0.39 0.00 5.26 4.57 -0.10 0.21 114.58 125.67 2jg4 h GLU 191 Ca 0.20 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2jg4 h GLU 191 Cb 0.07 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 2jg4 h GLU 191 CO -0.03 0.26 -0.38 1.57 -1.18 0.00 0.00 179.01 179.24 2jg4 h LYS 192 N 0.40 0.00 0.00 1.92 2.10 -1.24 -3.07 116.57 116.67 2jg4 h LYS 192 Ca 0.45 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.90 2jg4 h LYS 192 Cb 0.75 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.05 2jg4 h LYS 192 CO -0.46 0.38 -1.00 -0.91 -2.00 0.00 0.00 179.45 175.46 2jg4 h ASN 193 N 0.00 0.00 -0.92 7.07 2.35 -0.95 -3.36 115.58 119.76 2jg4 h ASN 193 Ca -0.00 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.01 2jg4 h ASN 193 Cb 0.80 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.02 2jg4 h ASN 193 CO 0.05 0.93 0.31 0.58 -1.65 0.00 0.00 177.43 177.65 2jg4 h VAL 194 N 0.00 0.27 -0.65 2.81 2.07 -1.04 0.21 116.25 119.91 2jg4 h VAL 194 Ca -0.03 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2jg4 h VAL 194 Cb 1.74 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jg4 h VAL 194 CO 0.12 0.04 0.00 0.23 0.02 0.00 0.00 177.57 177.97 2jg4 n MET 195 N -5.21 3.96 -3.27 1.57 2.81 -1.26 -4.79 117.12 110.93 2jg4 n MET 195 Ca 0.25 -2.94 -0.39 0.00 -1.81 0.00 0.00 57.70 52.81 2jg4 n MET 195 Cb 0.79 -1.97 -0.07 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.87 6.54 0.39 7.83 2.47 0.72 -4.88 114.94 127.14 2jg4 s ASN 196 Ca 0.52 0.65 0.08 0.00 0.42 0.00 0.00 52.86 54.54 2jg4 s ASN 196 Cb 0.35 -2.28 0.80 0.00 -1.45 0.00 0.00 41.25 38.66 2jg4 s ASN 196 CO 0.24 -0.16 1.96 0.44 -3.72 0.00 0.00 177.10 175.86 2jg4 h ASP 197 N 7.42 0.32 -0.27 -4.21 3.45 -1.90 -1.83 116.42 119.41 2jg4 h ASP 197 Ca -0.34 -0.05 -0.10 0.00 0.43 0.00 0.00 57.03 56.97 2jg4 h ASP 197 Cb 1.16 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.84 2jg4 h ASP 197 CO 0.74 0.39 -0.21 0.00 -1.57 0.00 0.00 179.24 178.58 2jg4 h ALA 198 N 1.66 0.39 -0.59 3.45 0.00 -1.94 -1.73 119.26 120.50 2jg4 h ALA 198 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2jg4 h ALA 198 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jg4 h ALA 198 CO 0.01 0.34 0.12 -1.49 0.00 0.00 0.00 179.25 178.22 2jg4 h TRP 199 N 0.35 1.01 0.04 0.00 4.06 -1.82 0.49 115.95 120.09 2jg4 h TRP 199 Ca 0.05 -0.13 0.01 0.00 2.06 0.00 0.00 58.89 60.88 2jg4 h TRP 199 Cb 0.76 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 2jg4 h TRP 199 CO 0.07 0.87 -0.10 0.00 -3.56 0.00 0.00 178.44 175.72 2jg4 h ARG 200 N 0.86 -0.18 -0.58 0.49 3.08 -1.31 -0.29 114.38 116.45 2jg4 h ARG 200 Ca 0.18 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2jg4 h ARG 200 Cb 0.39 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2jg4 h ARG 200 CO 0.01 -0.12 0.33 -0.07 -1.07 0.00 0.00 179.97 179.04 2jg4 h LEU 201 N -0.19 0.49 -0.06 3.04 4.07 -1.25 0.58 115.31 122.00 2jg4 h LEU 201 Ca 0.02 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.04 2jg4 h LEU 201 Cb 0.21 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.82 2jg4 h LEU 201 CO -0.07 0.34 -0.30 0.15 -1.08 0.00 0.00 178.44 177.47 2jg4 h PHE 202 N 0.62 -0.83 -0.06 1.13 3.04 -0.51 -2.08 116.94 118.25 2jg4 h PHE 202 Ca 0.25 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.11 2jg4 h PHE 202 Cb 0.11 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 2jg4 h PHE 202 CO -0.08 -0.39 -0.53 0.37 -2.02 0.00 0.00 178.31 175.66 2jg4 h GLN 203 N -0.42 0.18 -0.95 1.11 5.75 -0.83 -3.11 115.11 116.85 2jg4 h GLN 203 Ca 0.08 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.49 2jg4 h GLN 203 Cb 0.53 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 2jg4 h GLN 203 CO -0.30 0.67 0.62 1.25 -2.65 0.00 0.00 178.83 178.43 2jg4 h LEU 204 N 0.14 1.06 0.11 -2.39 5.85 -0.43 -0.50 115.31 119.16 2jg4 h LEU 204 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jg4 h LEU 204 Cb 0.98 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jg4 h LEU 204 CO 0.08 0.76 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.79 2jg4 h GLU 205 N 1.25 -0.15 -0.64 1.25 4.81 -1.32 -1.64 114.58 118.13 2jg4 h GLU 205 Ca 0.36 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.71 2jg4 h GLU 205 Cb -0.09 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 2jg4 h GLU 205 CO -0.09 -0.10 0.23 0.87 -0.73 0.00 0.00 179.01 179.18 2jg4 h LYS 206 N -0.16 0.38 0.00 1.92 1.57 -1.48 -1.63 116.57 117.17 2jg4 h LYS 206 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jg4 h LYS 206 Cb 0.13 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jg4 h LYS 206 CO 0.02 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2jg4 n ALA 207 N -2.51 1.61 -1.08 3.86 0.00 -0.22 -3.16 120.51 119.01 2jg4 n ALA 207 Ca 0.10 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.70 2jg4 n ALA 207 Cb 0.32 -1.38 0.23 0.00 0.00 0.00 0.00 19.45 18.62 2jg4 n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jg4 n THR 208 N -2.23 2.29 -3.88 0.00 -2.24 -0.62 -4.93 114.28 102.67 2jg4 n THR 208 Ca 0.02 -2.08 -0.00 0.00 -2.27 0.00 0.00 64.05 59.72 2jg4 n THR 208 Cb 0.21 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.74 3.90 3.66 3.38 0.00 -1.17 -4.93 105.19 109.29 2jg4 n GLY 209 Ca 0.23 -2.20 -0.56 0.00 0.00 0.00 0.00 46.02 43.49 2jg4 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jg4 n ASN 210 N -1.26 2.41 0.25 1.61 2.85 -0.10 -4.84 115.26 116.19 2jg4 n ASN 210 Ca -0.00 0.96 0.14 0.00 -0.11 0.00 0.00 54.58 55.57 2jg4 n ASN 210 Cb 0.01 -1.17 0.54 0.00 1.24 0.00 0.00 39.78 40.40 2jg4 n ASN 210 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2jg4 h PRO 211 N 8.19 0.00 0.00 1.20 0.11 -1.90 -2.86 132.00 136.73 2jg4 h PRO 211 Ca -0.43 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 2jg4 h PRO 211 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 2jg4 h PRO 211 CO 0.97 0.07 -0.27 0.87 -0.21 0.00 0.00 178.00 179.43 2jg4 h LYS 212 N 0.00 0.00 -6.71 1.05 1.79 -1.98 -3.46 116.57 107.26 2jg4 h LYS 212 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2jg4 h LYS 212 Cb 0.66 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2jg4 h LYS 212 CO 0.01 0.27 0.47 -1.58 -1.08 0.00 0.00 179.45 177.54 2jg4 s HIS 213 N -3.28 3.62 0.66 -1.35 2.46 -1.08 -4.94 115.29 111.38 2jg4 s HIS 213 Ca 0.03 1.65 0.33 0.00 0.47 0.00 0.00 55.06 57.54 2jg4 s HIS 213 Cb 0.08 -3.25 1.77 0.00 -0.13 0.00 0.00 32.58 31.05 2jg4 s HIS 213 CO 0.68 -0.51 2.01 -1.35 -2.47 0.00 0.00 174.74 173.10 2jg4 h PRO 214 N 4.68 0.00 -0.25 2.88 0.11 -1.88 -1.44 132.00 136.09 2jg4 h PRO 214 Ca -0.45 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 2jg4 h PRO 214 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2jg4 h PRO 214 CO 0.71 0.00 0.17 0.35 -0.21 0.00 0.00 178.00 179.02 2jg4 h PHE 215 N 0.00 0.14 0.00 0.65 3.04 -1.91 -2.05 116.94 116.81 2jg4 h PHE 215 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jg4 h PHE 215 Cb 0.56 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.02 2jg4 h PHE 215 CO 0.00 0.08 0.00 -1.13 -2.02 0.00 0.00 178.31 175.24 2jg4 n SER 216 N -4.49 0.00 -4.77 0.41 3.41 -0.54 -4.75 113.62 102.89 2jg4 n SER 216 Ca 0.02 0.20 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 2jg4 n SER 216 Cb 0.22 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.71 3.16 -0.50 4.33 1.02 -0.77 -4.63 119.74 119.64 2jg4 s LYS 217 Ca 0.13 1.56 -0.23 0.00 0.02 0.00 0.00 55.97 57.44 2jg4 s LYS 217 Cb 0.11 -1.98 0.04 0.00 -0.52 0.00 0.00 37.83 35.47 2jg4 s LYS 217 CO 0.26 -0.99 0.84 0.12 -0.92 0.00 0.00 175.35 174.66 2jg4 s PHE 218 N -1.94 2.91 0.09 3.18 5.36 -1.26 -4.97 117.98 121.35 2jg4 s PHE 218 Ca 0.71 -0.00 -0.14 0.00 -0.96 0.00 0.00 56.93 56.54 2jg4 s PHE 218 Cb -0.23 -3.85 -0.12 0.00 -0.34 0.00 0.00 43.02 38.48 2jg4 s PHE 218 CO 0.32 -1.16 1.35 0.78 -1.46 0.00 0.00 175.22 175.04 2jg4 h GLY 219 N 10.48 0.79 0.94 13.12 0.00 -1.94 -3.21 103.07 123.26 2jg4 h GLY 219 Ca -0.26 -0.96 -0.06 0.00 0.00 0.00 0.00 47.33 46.05 2jg4 h GLY 219 CO 1.02 0.86 0.03 -0.84 0.00 0.00 0.00 176.54 177.61 2jg4 h THR 220 N 0.44 1.25 -1.51 4.70 2.02 -1.93 -3.33 112.91 114.56 2jg4 h THR 220 Ca 0.00 -0.95 0.16 0.00 0.77 0.00 0.00 66.41 66.39 2jg4 h THR 220 Cb 1.10 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.53 2jg4 h THR 220 CO 0.11 0.32 -0.45 0.61 0.37 0.00 0.00 175.52 176.48 2jg4 n GLY 221 N -0.42 -2.46 3.64 2.16 0.00 -1.26 -4.59 105.19 102.27 2jg4 n GLY 221 Ca -0.01 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.23 -2.17 -0.34 1.61 0.23 -1.26 -4.63 115.26 105.47 2jg4 n ASN 222 Ca -0.02 -2.47 0.15 0.00 -0.53 0.00 0.00 54.58 51.71 2jg4 n ASN 222 Cb 0.30 3.60 0.36 0.00 -2.08 0.00 0.00 39.78 41.96 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 0.67 0.55 -3.83 3.64 -1.90 0.28 116.57 115.97 2jg4 h LYS 223 Ca -0.32 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 2jg4 h LYS 223 Cb 1.19 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2jg4 h LYS 223 CO 0.40 0.44 -0.26 -0.92 -2.27 0.00 0.00 179.45 176.84 2jg4 h TYR 224 N 0.69 -0.68 0.00 1.91 3.20 -1.96 0.36 116.97 120.48 2jg4 h TYR 224 Ca 0.59 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.36 2jg4 h TYR 224 Cb 1.02 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2jg4 h TYR 224 CO -0.00 -0.38 -0.40 1.79 -1.64 0.00 0.00 178.16 177.53 2jg4 h THR 225 N -0.84 0.84 -0.01 1.81 1.35 -1.54 0.40 112.91 114.93 2jg4 h THR 225 Ca -0.07 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 2jg4 h THR 225 Cb 0.60 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2jg4 h THR 225 CO 0.12 0.39 -0.66 0.18 -0.25 0.00 0.00 175.52 175.31 2jg4 n LEU 226 N -3.42 1.30 0.07 3.87 4.32 0.86 -4.38 117.00 119.62 2jg4 n LEU 226 Ca 0.00 -0.62 0.00 0.00 -0.02 0.00 0.00 56.01 55.38 2jg4 n LEU 226 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2jg4 n LEU 226 CO 0.37 0.27 0.00 1.21 -1.22 0.00 0.00 177.39 178.03 2jg4 n GLU 227 N -0.82 0.00 0.39 3.23 2.13 0.02 -4.91 120.64 120.69 2jg4 n GLU 227 Ca 0.05 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.69 2jg4 n GLU 227 Cb 0.34 0.00 -0.09 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 0.29 -0.01 6.31 2.02 -1.00 -1.15 112.91 119.36 2jg4 h THR 228 Ca 0.00 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2jg4 h THR 228 Cb 0.00 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2jg4 h THR 228 CO 0.00 0.00 -0.02 -0.09 0.37 0.00 0.00 175.52 175.79 2jg4 h ARG 229 N -0.98 -0.02 -0.93 6.66 9.65 -1.18 -1.57 114.38 126.01 2jg4 h ARG 229 Ca -0.10 0.00 0.14 0.00 -1.10 0.00 0.00 59.98 58.93 2jg4 h ARG 229 Cb 0.74 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.24 2jg4 h ARG 229 CO 0.16 -0.01 0.54 -1.35 2.80 0.00 0.00 179.97 182.11 2jg4 h PRO 230 N -0.02 0.77 -0.47 0.20 0.11 -1.74 0.57 132.00 131.42 2jg4 h PRO 230 Ca 0.01 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2jg4 h PRO 230 Cb 0.04 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2jg4 h PRO 230 CO -0.03 0.51 0.08 -0.91 -0.21 0.00 0.00 178.00 177.44 2jg4 h ASN 231 N 0.79 0.74 -0.92 -2.05 -0.26 -0.83 0.35 115.58 113.40 2jg4 h ASN 231 Ca 0.49 -0.26 0.03 0.00 -0.56 0.00 0.00 56.30 56.00 2jg4 h ASN 231 Cb 0.63 -0.20 -0.05 0.00 -1.06 0.00 0.00 38.32 37.64 2jg4 h ASN 231 CO -0.32 0.81 0.60 -0.61 -1.06 0.00 0.00 177.43 176.85 2jg4 h GLN 232 N 0.64 1.16 0.00 0.81 4.15 -0.90 -2.30 115.11 118.66 2jg4 h GLN 232 Ca 0.14 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2jg4 h GLN 232 Cb 0.38 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2jg4 h GLN 232 CO 0.01 0.76 -0.07 0.39 -1.93 0.00 0.00 178.83 177.99 2jg4 n GLU 233 N -4.48 0.04 -0.77 1.69 1.02 0.16 -4.92 120.64 113.38 2jg4 n GLU 233 Ca 0.11 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2jg4 n GLU 233 Cb 0.07 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 1.47 0.55 3.79 0.62 0.00 0.50 -5.05 105.19 107.08 2jg4 n GLY 234 Ca 0.07 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 4.51 -0.37 -0.61 1.01 0.94 -4.99 121.20 119.68 2jg4 s ILE 235 Ca 0.00 1.48 -0.14 0.00 0.00 0.00 0.00 60.65 62.00 2jg4 s ILE 235 Cb 0.00 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 2jg4 s ILE 235 CO 0.00 0.47 0.27 -0.62 0.00 0.00 0.00 174.94 175.06 2jg4 s ASP 236 N -1.24 6.09 0.14 3.58 -1.08 -1.26 -4.17 116.67 118.72 2jg4 s ASP 236 Ca 0.35 -0.62 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 2jg4 s ASP 236 Cb -0.21 -2.15 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 2jg4 s ASP 236 CO 0.23 -0.33 1.44 0.58 0.52 0.00 0.00 175.17 177.61 2jg4 h VAL 237 N 5.55 1.27 -0.68 1.11 2.07 -1.94 -2.35 116.25 121.28 2jg4 h VAL 237 Ca -0.29 -1.66 0.14 0.00 0.82 0.00 0.00 66.70 65.71 2jg4 h VAL 237 Cb 1.14 1.52 -0.13 0.00 -1.52 0.00 0.00 31.29 32.30 2jg4 h VAL 237 CO 0.68 0.55 -0.10 0.03 0.02 0.00 0.00 177.57 178.74 2jg4 h ARG 238 N 0.71 0.04 -0.03 1.57 2.47 -1.96 0.13 114.38 117.31 2jg4 h ARG 238 Ca 0.03 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2jg4 h ARG 238 Cb 1.08 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2jg4 h ARG 238 CO 0.11 0.02 0.02 1.96 0.56 0.00 0.00 179.97 182.64 2jg4 h GLN 239 N 0.04 0.05 -0.86 0.04 4.20 -1.90 -1.95 115.11 114.73 2jg4 h GLN 239 Ca 0.34 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.03 2jg4 h GLN 239 Cb 0.55 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 2jg4 h GLN 239 CO -0.66 0.15 0.46 0.93 -0.67 0.00 0.00 178.83 179.03 2jg4 h GLU 240 N -0.07 1.21 -0.32 1.46 4.39 -1.04 1.05 114.58 121.27 2jg4 h GLU 240 Ca 0.01 -0.15 0.07 0.00 0.34 0.00 0.00 59.36 59.63 2jg4 h GLU 240 Cb 0.12 -0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 28.45 2jg4 h GLU 240 CO -0.00 0.90 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.45 2jg4 h LEU 241 N 1.21 -0.73 -0.40 1.33 3.38 -0.54 0.63 115.31 120.20 2jg4 h LEU 241 Ca 0.30 0.15 -0.16 0.00 0.09 0.00 0.00 57.88 58.26 2jg4 h LEU 241 Cb 0.05 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2jg4 h LEU 241 CO -0.05 -0.25 -0.40 -0.07 0.09 0.00 0.00 178.44 177.77 2jg4 h LEU 242 N -0.19 0.99 -1.27 1.67 3.38 -0.45 0.19 115.31 119.65 2jg4 h LEU 242 Ca 0.16 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2jg4 h LEU 242 Cb 0.44 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2jg4 h LEU 242 CO -0.43 1.26 0.31 0.50 0.09 0.00 0.00 178.44 180.16 2jg4 h LYS 243 N 0.76 0.81 0.20 1.13 3.11 0.14 -1.16 116.57 121.55 2jg4 h LYS 243 Ca 0.06 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 2jg4 h LYS 243 Cb 0.99 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 2jg4 h LYS 243 CO 0.10 0.61 -0.10 0.35 -2.81 0.00 0.00 179.45 177.60 2jg4 h PHE 244 N 0.82 -0.25 -0.60 1.91 3.57 0.69 -2.25 116.94 120.83 2jg4 h PHE 244 Ca 0.21 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.82 2jg4 h PHE 244 Cb 0.05 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 38.77 2jg4 h PHE 244 CO 0.01 0.13 0.07 1.25 -2.23 0.00 0.00 178.31 177.53 2jg4 h HIS 245 N -0.92 0.08 -0.34 0.41 2.76 -0.60 -1.44 115.15 115.11 2jg4 h HIS 245 Ca -0.03 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.09 2jg4 h HIS 245 Cb 0.49 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.49 2jg4 h HIS 245 CO 0.07 -0.10 -0.16 1.03 -1.30 0.00 0.00 177.93 177.47 2jg4 h SER 246 N 0.18 0.59 0.42 3.26 0.87 -1.31 0.14 113.55 117.71 2jg4 h SER 246 Ca 0.32 -0.18 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 2jg4 h SER 246 Cb 0.50 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2jg4 h SER 246 CO -0.46 0.77 -0.64 0.00 -0.53 0.00 0.00 176.83 175.97 2jg4 h ALA 247 N 1.28 0.82 0.00 6.23 0.00 -0.70 -3.41 119.26 123.49 2jg4 h ALA 247 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jg4 h ALA 247 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jg4 h ALA 247 CO 0.04 0.76 -0.95 0.66 0.00 0.00 0.00 179.25 179.76 2jg4 n TYR 248 N -3.84 0.00 -1.18 0.00 4.02 -0.63 -4.74 117.16 110.80 2jg4 n TYR 248 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.52 2jg4 n TYR 248 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.93 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 -1.79 2.17 -3.77 -0.72 0.53 0.47 -4.87 117.16 109.18 2jg4 n TYR 249 Ca 0.00 -2.83 -0.34 0.00 -1.02 0.00 0.00 57.90 53.70 2jg4 n TYR 249 Cb 0.34 -2.31 -0.05 0.00 -1.03 0.00 0.00 39.34 36.30 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 2.45 6.48 0.44 7.72 0.15 -1.26 -4.90 113.70 124.77 2jg4 s SER 250 Ca 0.63 0.54 0.12 0.00 0.70 0.00 0.00 55.95 57.94 2jg4 s SER 250 Cb 0.16 -2.08 1.00 0.00 -1.71 0.00 0.00 66.02 63.39 2jg4 s SER 250 CO -0.05 0.25 2.03 0.77 1.20 0.00 0.00 173.24 177.43 2jg4 h SER 251 N 3.93 0.36 0.33 5.45 4.64 -1.49 -1.55 113.55 125.21 2jg4 h SER 251 Ca -0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2jg4 h SER 251 Cb 1.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2jg4 h SER 251 CO 0.67 0.24 0.00 -0.55 -0.87 0.00 0.00 176.83 176.31 2jg4 h ASN 252 N 0.41 0.00 -0.51 4.97 -1.07 -1.82 -2.05 115.58 115.51 2jg4 h ASN 252 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.57 2jg4 h ASN 252 Cb 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.52 2jg4 h ASN 252 CO -0.05 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.63 2jg4 n LEU 253 N -2.93 4.32 -4.53 6.14 4.77 -0.59 -4.85 117.00 119.34 2jg4 n LEU 253 Ca -0.02 -2.51 -0.30 0.00 -0.03 0.00 0.00 56.01 53.15 2jg4 n LEU 253 Cb 0.14 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 2jg4 n LEU 253 CO 0.21 0.76 -0.45 -0.04 -1.33 0.00 0.00 177.39 176.54 2jg4 s MET 254 N -1.94 2.14 0.02 3.23 -1.94 -0.77 -0.00 119.30 120.03 2jg4 s MET 254 Ca 0.45 -0.97 0.03 0.00 -1.71 0.00 0.00 55.69 53.49 2jg4 s MET 254 Cb 0.30 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.85 2jg4 s MET 254 CO 0.19 0.53 -0.11 0.00 -0.01 0.00 0.00 175.02 175.63 2jg4 s ALA 255 N -1.06 0.87 0.02 3.03 0.00 -0.24 -2.93 121.76 121.45 2jg4 s ALA 255 Ca 0.18 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2jg4 s ALA 255 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2jg4 s ALA 255 CO 0.09 0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.96 2jg4 s VAL 256 N -0.63 1.03 -0.06 0.00 1.01 0.77 -1.21 120.40 121.32 2jg4 s VAL 256 Ca 0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2jg4 s VAL 256 Cb -0.06 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.43 2jg4 s VAL 256 CO 0.00 0.08 0.02 0.00 0.00 0.00 0.00 175.10 175.20 2jg4 s VAL 258 N 1.92 1.96 -0.09 0.00 1.01 -0.81 -1.61 120.40 122.77 2jg4 s VAL 258 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2jg4 s VAL 258 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2jg4 s VAL 258 CO -0.04 0.54 -0.20 -0.22 0.00 0.00 0.00 175.10 175.18 2jg4 s LEU 259 N 0.33 1.94 0.00 3.92 0.20 0.47 -0.47 118.68 125.07 2jg4 s LEU 259 Ca -0.17 -0.48 -0.07 0.00 0.69 0.00 0.00 54.13 54.10 2jg4 s LEU 259 Cb -0.17 -1.22 0.03 0.00 -0.43 0.00 0.00 46.19 44.39 2jg4 s LEU 259 CO 0.08 0.11 0.42 0.61 -0.29 0.00 0.00 176.35 177.28 2jg4 n GLY 260 N 3.67 1.72 0.09 7.98 0.00 -0.37 -1.11 105.19 117.17 2jg4 n GLY 260 Ca -0.20 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 2jg4 n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jg4 h ARG 261 N 0.00 0.11 -6.60 1.61 3.08 -1.85 0.32 114.38 111.05 2jg4 h ARG 261 Ca -0.19 -0.16 -0.57 0.00 0.07 0.00 0.00 59.98 59.13 2jg4 h ARG 261 Cb 0.73 0.05 0.18 0.00 0.08 0.00 0.00 29.97 31.02 2jg4 h ARG 261 CO 0.25 1.00 -0.37 0.39 -1.07 0.00 0.00 179.97 180.16 2jg4 n GLU 262 N -3.52 0.42 -0.82 0.04 4.71 -1.26 -4.13 120.64 116.08 2jg4 n GLU 262 Ca -0.03 0.18 -0.30 0.00 -0.01 0.00 0.00 57.16 57.00 2jg4 n GLU 262 Cb 0.89 -1.79 0.17 0.00 -1.01 0.00 0.00 31.44 29.69 2jg4 n GLU 262 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jg4 s SER 263 N -1.33 2.82 0.23 1.62 1.04 -1.26 -4.62 113.70 112.19 2jg4 s SER 263 Ca 0.67 1.89 -0.08 0.00 0.48 0.00 0.00 55.95 58.92 2jg4 s SER 263 Cb -0.39 -2.45 0.25 0.00 0.10 0.00 0.00 66.02 63.53 2jg4 s SER 263 CO 0.56 -3.11 1.86 -0.07 0.98 0.00 0.00 173.24 173.46 2jg4 h LEU 264 N -1.88 0.83 -0.33 2.42 3.38 -1.95 -0.02 115.31 117.77 2jg4 h LEU 264 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2jg4 h LEU 264 Cb 1.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2jg4 h LEU 264 CO 0.47 0.57 0.18 0.44 0.09 0.00 0.00 178.44 180.18 2jg4 h ASP 265 N 0.98 0.41 -0.50 -0.43 3.32 -1.99 0.79 116.42 119.00 2jg4 h ASP 265 Ca 0.33 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2jg4 h ASP 265 Cb 0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2jg4 h ASP 265 CO -0.13 0.38 0.27 0.44 -1.72 0.00 0.00 179.24 178.48 2jg4 h ASP 266 N 0.40 0.63 -0.40 6.45 3.32 -1.79 -1.50 116.42 123.52 2jg4 h ASP 266 Ca 0.11 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2jg4 h ASP 266 Cb 0.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2jg4 h ASP 266 CO -0.02 0.54 0.13 -0.07 -1.72 0.00 0.00 179.24 178.10 2jg4 h LEU 267 N 0.66 0.65 0.03 1.55 3.38 -0.91 -1.75 115.31 118.92 2jg4 h LEU 267 Ca 0.17 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jg4 h LEU 267 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jg4 h LEU 267 CO -0.03 0.63 -0.11 0.74 0.09 0.00 0.00 178.44 179.76 2jg4 h THR 268 N 0.68 0.72 -0.09 0.22 2.02 -0.23 -1.17 112.91 115.06 2jg4 h THR 268 Ca 0.16 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.35 2jg4 h THR 268 Cb 0.24 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2jg4 h THR 268 CO -0.01 0.00 0.02 0.78 0.37 0.00 0.00 175.52 176.68 2jg4 h ASN 269 N -0.21 0.01 -0.53 4.18 2.35 -0.99 -1.47 115.58 118.92 2jg4 h ASN 269 Ca 0.03 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 2jg4 h ASN 269 Cb 0.25 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.58 2jg4 h ASN 269 CO -0.10 0.02 0.23 0.25 -1.65 0.00 0.00 177.43 176.18 2jg4 h LEU 270 N 0.05 0.28 -0.17 1.61 7.12 -1.17 0.33 115.31 123.37 2jg4 h LEU 270 Ca 0.04 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.05 2jg4 h LEU 270 Cb 0.03 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.16 2jg4 h LEU 270 CO -0.05 0.19 -0.07 0.58 -0.13 0.00 0.00 178.44 178.96 2jg4 h VAL 271 N 0.43 1.30 -0.78 1.05 2.07 -1.07 -1.90 116.25 117.35 2jg4 h VAL 271 Ca 0.25 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2jg4 h VAL 271 Cb 0.23 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2jg4 h VAL 271 CO -0.22 0.32 0.47 0.58 0.02 0.00 0.00 177.57 178.74 2jg4 h VAL 272 N 0.03 1.22 -0.15 2.57 2.07 -0.84 0.21 116.25 121.36 2jg4 h VAL 272 Ca 0.04 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2jg4 h VAL 272 Cb 0.53 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2jg4 h VAL 272 CO 0.02 0.23 -0.04 0.50 0.02 0.00 0.00 177.57 178.31 2jg4 h LYS 273 N 1.07 0.00 0.00 1.57 3.64 -0.25 -2.81 116.57 119.79 2jg4 h LYS 273 Ca 0.28 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2jg4 h LYS 273 Cb -0.03 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2jg4 h LYS 273 CO -0.05 0.00 -0.70 -0.07 -2.27 0.00 0.00 179.45 176.36 2jg4 h LEU 274 N 0.00 0.00 0.00 5.20 3.38 -0.77 -3.41 115.31 119.71 2jg4 h LEU 274 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jg4 h LEU 274 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2jg4 h LEU 274 CO -0.15 0.32 -1.17 0.49 0.09 0.00 0.00 178.44 178.02 2jg4 n PHE 275 N -3.02 0.00 0.25 1.13 3.01 0.69 -4.48 117.46 115.04 2jg4 n PHE 275 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.54 2jg4 n PHE 275 Cb 0.68 -0.09 0.42 0.00 -0.01 0.00 0.00 39.48 40.48 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 -1.70 0.43 0.26 4.37 3.41 -1.06 -1.50 113.62 117.82 2jg4 n SER 276 Ca -0.01 0.65 0.15 0.00 -0.26 0.00 0.00 58.87 59.40 2jg4 n SER 276 Cb 0.17 -0.73 0.59 0.00 -0.26 0.00 0.00 64.21 63.99 2jg4 n SER 276 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jg4 h GLU 277 N 0.00 0.00 -6.42 4.33 4.57 -1.80 -3.46 114.58 111.80 2jg4 h GLU 277 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 2jg4 h GLU 277 Cb 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2jg4 h GLU 277 CO 0.00 0.04 0.96 0.08 -1.18 0.00 0.00 179.01 178.91 2jg4 s VAL 278 N -3.62 3.24 0.69 0.32 1.01 -0.56 -4.96 120.40 116.51 2jg4 s VAL 278 Ca 0.02 0.66 -0.17 0.00 0.00 0.00 0.00 61.98 62.49 2jg4 s VAL 278 Cb 0.09 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2jg4 s VAL 278 CO 0.57 -0.00 1.25 -0.70 0.00 0.00 0.00 175.10 176.22 2jg4 s GLU 279 N 2.61 2.31 -0.23 2.72 2.12 -1.26 -4.69 118.70 122.28 2jg4 s GLU 279 Ca 0.71 1.93 0.02 0.00 0.36 0.00 0.00 54.97 57.99 2jg4 s GLU 279 Cb -0.37 -1.83 0.05 0.00 0.26 0.00 0.00 34.13 32.23 2jg4 s GLU 279 CO 0.31 -1.74 -0.12 1.21 -0.54 0.00 0.00 175.26 174.37 2jg4 s ASN 280 N -1.68 3.94 0.00 -1.70 3.84 -1.26 -1.36 114.94 116.72 2jg4 s ASN 280 Ca 0.79 -1.14 0.25 0.00 0.21 0.00 0.00 52.86 52.97 2jg4 s ASN 280 Cb -0.34 -1.43 0.61 0.00 -0.55 0.00 0.00 41.25 39.54 2jg4 s ASN 280 CO 0.42 -0.15 1.50 0.29 -2.79 0.00 0.00 177.10 176.37 2jg4 n LYS 281 N 4.54 2.02 -3.59 0.43 4.01 -1.26 -4.95 118.16 119.37 2jg4 n LYS 281 Ca -0.15 -1.50 -0.26 0.00 -0.51 0.00 0.00 58.31 55.89 2jg4 n LYS 281 Cb 0.45 -1.47 0.05 0.00 -0.51 0.00 0.00 35.03 33.55 2jg4 n LYS 281 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2jg4 n ASN 282 N 0.79 -5.82 -4.70 4.39 3.02 -1.26 -4.92 115.26 106.76 2jg4 n ASN 282 Ca 0.17 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.74 2jg4 n ASN 282 Cb 0.48 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.00 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 -3.27 3.34 0.32 2.41 1.01 -1.26 -4.98 120.40 117.96 2jg4 s VAL 283 Ca 0.56 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 2jg4 s VAL 283 Cb -0.26 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 2jg4 s VAL 283 CO 0.69 0.04 1.24 -2.84 0.00 0.00 0.00 175.10 174.24 2jg4 s PRO 284 N 1.65 4.44 0.06 2.72 0.02 -1.26 -4.84 135.00 137.79 2jg4 s PRO 284 Ca 0.66 2.09 -0.31 0.00 0.02 0.00 0.00 61.00 63.46 2jg4 s PRO 284 Cb -0.36 -3.10 -0.07 0.00 0.02 0.00 0.00 34.50 30.99 2jg4 s PRO 284 CO 0.30 -0.07 1.48 -1.17 -0.33 0.00 0.00 177.00 177.20 2jg4 s LEU 285 N -1.70 4.35 0.36 -5.54 0.20 -1.26 -4.96 118.68 110.12 2jg4 s LEU 285 Ca 0.48 2.31 -0.28 0.00 0.69 0.00 0.00 54.13 57.32 2jg4 s LEU 285 Cb -0.37 -3.57 -0.11 0.00 -0.43 0.00 0.00 46.19 41.71 2jg4 s LEU 285 CO 0.49 -0.75 1.51 -2.84 -0.29 0.00 0.00 176.35 174.47 2jg4 s PRO 286 N 2.02 4.11 0.04 0.98 0.02 -1.26 -5.03 135.00 135.88 2jg4 s PRO 286 Ca 0.67 2.57 0.09 0.00 0.02 0.00 0.00 61.00 64.35 2jg4 s PRO 286 Cb -0.36 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 2jg4 s PRO 286 CO 0.29 -0.56 -0.24 -1.21 -0.33 0.00 0.00 177.00 174.96 2jg4 s GLU 287 N -1.76 1.89 -0.54 5.54 0.41 -1.26 -4.83 118.70 118.15 2jg4 s GLU 287 Ca 0.55 -1.07 0.07 0.00 -0.41 0.00 0.00 54.97 54.11 2jg4 s GLU 287 Cb -0.47 -2.05 0.30 0.00 -1.78 0.00 0.00 34.13 30.13 2jg4 s GLU 287 CO 0.60 0.52 0.79 1.19 -0.49 0.00 0.00 175.26 177.87 2jg4 n PHE 288 N 1.71 2.66 0.21 1.61 3.72 0.87 -4.95 117.46 123.29 2jg4 n PHE 288 Ca -0.17 -3.96 0.05 0.00 -0.05 0.00 0.00 57.45 53.33 2jg4 n PHE 288 Cb 0.52 -0.48 0.45 0.00 -0.94 0.00 0.00 39.48 39.03 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 3.51 0.00 -6.01 -1.08 0.13 -1.80 -3.35 132.00 123.41 2jg4 h PRO 289 Ca 0.14 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.69 2jg4 h PRO 289 Cb 0.68 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2jg4 h PRO 289 CO 0.72 0.30 0.50 -2.00 -0.23 0.00 0.00 178.00 177.29 2jg4 s GLU 290 N -4.19 4.30 0.16 0.86 2.12 -1.26 -4.83 118.70 115.86 2jg4 s GLU 290 Ca -0.03 1.13 -0.31 0.00 0.36 0.00 0.00 54.97 56.13 2jg4 s GLU 290 Cb 0.14 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.85 2jg4 s GLU 290 CO 0.69 -0.40 1.42 -1.58 -0.54 0.00 0.00 175.26 174.86 2jg4 s HIS 291 N 2.37 3.18 0.64 5.30 5.65 -1.26 -4.89 115.29 126.28 2jg4 s HIS 291 Ca 0.41 0.93 0.29 0.00 0.25 0.00 0.00 55.06 56.93 2jg4 s HIS 291 Cb -0.16 -3.74 1.53 0.00 -1.18 0.00 0.00 32.58 29.02 2jg4 s HIS 291 CO 0.12 -2.57 1.89 -1.00 -0.65 0.00 0.00 174.74 172.52 2jg4 h PRO 292 N 6.33 0.00 -4.63 2.88 0.13 -1.95 -3.36 132.00 131.40 2jg4 h PRO 292 Ca -0.43 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.00 2jg4 h PRO 292 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 2jg4 h PRO 292 CO 0.85 0.00 -0.52 -0.06 -0.23 0.00 0.00 178.00 178.04 2jg4 s PHE 293 N -4.26 3.23 0.23 1.56 0.08 -1.26 -0.92 117.98 116.65 2jg4 s PHE 293 Ca -0.03 -0.87 0.03 0.00 0.12 0.00 0.00 56.93 56.18 2jg4 s PHE 293 Cb 0.10 -2.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2jg4 s PHE 293 CO 0.35 -0.60 0.29 1.04 -0.10 0.00 0.00 175.22 176.19 2jg4 n GLN 294 N 5.00 0.92 -0.18 0.44 1.13 -1.26 -4.95 117.38 118.47 2jg4 n GLN 294 Ca -0.12 -1.29 -0.05 0.00 -1.94 0.00 0.00 57.00 53.60 2jg4 n GLN 294 Cb 0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 30.24 30.74 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 -1.39 -0.19 0.15 -1.09 4.07 -1.26 -1.18 120.64 119.74 2jg4 n GLU 295 Ca 0.05 0.83 0.12 0.00 -0.06 0.00 0.00 57.16 58.10 2jg4 n GLU 295 Cb 0.24 -1.23 0.52 0.00 -0.06 0.00 0.00 31.44 30.92 2jg4 n GLU 295 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2jg4 h GLU 296 N 0.00 0.00 -0.02 5.31 9.09 -2.02 -2.62 114.58 124.33 2jg4 h GLU 296 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.48 2jg4 h GLU 296 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 2jg4 h GLU 296 CO -0.41 0.00 -0.08 0.72 0.05 0.00 0.00 179.01 179.30 2jg4 n HIS 297 N -2.33 0.00 -3.76 2.06 8.25 -0.33 -4.92 115.22 114.20 2jg4 n HIS 297 Ca 0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.27 2jg4 n HIS 297 Cb 0.22 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.13 3.73 -1.35 2.41 1.43 -0.99 -4.56 118.68 117.22 2jg4 s LEU 298 Ca 0.33 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2jg4 s LEU 298 Cb 0.20 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2jg4 s LEU 298 CO 0.38 -0.34 0.96 0.29 0.23 0.00 0.00 176.35 177.87 2jg4 n LYS 299 N -1.42 -6.22 -4.76 1.70 5.02 0.73 -4.95 118.16 108.26 2jg4 n LYS 299 Ca -0.02 0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 56.68 2jg4 n LYS 299 Cb 0.59 -5.59 -0.13 0.00 -0.02 0.00 0.00 35.03 29.88 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 -6.07 2.02 -0.08 1.97 -1.52 -1.24 -0.71 119.66 114.02 2jg4 s GLN 300 Ca 0.30 -1.00 0.02 0.00 -1.95 0.00 0.00 55.36 52.73 2jg4 s GLN 300 Cb -0.14 -2.13 -0.02 0.00 -0.22 0.00 0.00 33.01 30.49 2jg4 s GLN 300 CO 0.78 0.54 -0.12 -1.17 -0.25 0.00 0.00 175.29 175.06 2jg4 s LEU 301 N -1.32 2.83 -0.14 2.90 2.96 0.92 -1.02 118.68 125.81 2jg4 s LEU 301 Ca 0.13 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 2jg4 s LEU 301 Cb -0.10 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.01 2jg4 s LEU 301 CO 0.04 0.29 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.94 2jg4 s TYR 302 N -0.38 1.94 -0.24 5.38 1.51 0.55 -1.52 117.35 124.60 2jg4 s TYR 302 Ca 0.04 -1.10 -0.07 0.00 -1.01 0.00 0.00 57.07 54.93 2jg4 s TYR 302 Cb -0.12 -1.46 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 2jg4 s TYR 302 CO 0.02 -0.63 0.07 0.15 -1.11 0.00 0.00 175.55 174.06 2jg4 s LYS 303 N 1.56 3.70 -0.06 -0.62 1.02 -0.43 0.79 119.74 125.70 2jg4 s LYS 303 Ca 0.04 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2jg4 s LYS 303 Cb -0.13 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2jg4 s LYS 303 CO -0.09 -0.12 -0.15 0.42 -0.92 0.00 0.00 175.35 174.49 2jg4 s ILE 304 N 1.43 1.32 -0.31 2.17 1.01 0.43 -0.98 121.20 126.27 2jg4 s ILE 304 Ca 0.05 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 2jg4 s ILE 304 Cb -0.15 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2jg4 s ILE 304 CO 0.04 0.39 0.84 -0.69 0.00 0.00 0.00 174.94 175.52 2jg4 s VAL 305 N 0.47 4.74 0.83 2.92 1.01 -0.75 -1.71 120.40 127.91 2jg4 s VAL 305 Ca -0.13 1.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 2jg4 s VAL 305 Cb -0.15 -4.20 0.10 0.00 0.00 0.00 0.00 36.38 32.13 2jg4 s VAL 305 CO 0.04 -0.30 1.19 -2.16 0.00 0.00 0.00 175.10 173.87 2jg4 s PRO 306 N 3.08 1.72 -0.08 2.72 0.04 -1.26 -4.55 135.00 136.68 2jg4 s PRO 306 Ca 0.35 -0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.32 2jg4 s PRO 306 Cb -0.14 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2jg4 s PRO 306 CO 0.13 -1.73 -0.06 0.82 0.04 0.00 0.00 177.00 176.21 2jg4 h ILE 307 N -1.13 0.00 -4.16 0.56 1.08 -1.96 -3.47 117.51 108.44 2jg4 h ILE 307 Ca -0.45 -0.62 -0.53 0.00 -0.39 0.00 0.00 64.86 62.87 2jg4 h ILE 307 Cb 1.31 0.00 0.20 0.00 -3.07 0.00 0.00 36.82 35.26 2jg4 h ILE 307 CO 0.60 0.00 0.17 0.29 -0.69 0.00 0.00 178.15 178.52 2jg4 n LYS 308 N -3.73 -0.27 -2.76 2.37 5.02 -1.26 -4.92 118.16 112.61 2jg4 n LYS 308 Ca -0.02 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 2jg4 n LYS 308 Cb 0.09 -2.34 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 2jg4 n LYS 308 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jg4 s ASP 309 N -2.43 6.52 0.06 4.39 2.15 -1.26 -4.89 116.67 121.21 2jg4 s ASP 309 Ca 0.68 -1.65 0.04 0.00 0.43 0.00 0.00 52.55 52.05 2jg4 s ASP 309 Cb -0.25 -2.47 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 2jg4 s ASP 309 CO 0.57 -1.31 -0.12 0.27 -0.17 0.00 0.00 175.17 174.41 2jg4 s ILE 310 N 3.84 0.92 -0.29 4.11 -4.36 -1.26 -4.85 121.20 119.30 2jg4 s ILE 310 Ca 0.37 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.56 2jg4 s ILE 310 Cb -0.04 -0.91 0.08 0.00 1.25 0.00 0.00 42.46 42.84 2jg4 s ILE 310 CO -0.07 -0.27 0.00 -0.13 0.24 0.00 0.00 174.94 174.71 2jg4 s ARG 311 N -1.66 1.51 0.13 0.37 0.52 -1.26 -3.91 118.95 114.65 2jg4 s ARG 311 Ca -0.05 -1.38 0.05 0.00 -0.52 0.00 0.00 55.73 53.84 2jg4 s ARG 311 Cb -0.10 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2jg4 s ARG 311 CO 0.02 -0.78 -0.12 -0.80 0.02 0.00 0.00 175.30 173.63 2jg4 s ASN 312 N 1.21 1.88 -0.10 0.23 0.01 -0.53 0.68 114.94 118.32 2jg4 s ASN 312 Ca 0.02 -0.87 0.02 0.00 -0.71 0.00 0.00 52.86 51.32 2jg4 s ASN 312 Cb -0.19 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.44 2jg4 s ASN 312 CO -0.10 -0.21 -0.14 -0.22 -1.51 0.00 0.00 177.10 174.92 2jg4 s LEU 313 N -2.68 1.66 -0.29 0.60 2.96 0.12 -0.58 118.68 120.46 2jg4 s LEU 313 Ca 0.11 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2jg4 s LEU 313 Cb -0.02 -1.02 0.06 0.00 0.50 0.00 0.00 46.19 45.71 2jg4 s LEU 313 CO 0.02 0.01 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.71 2jg4 s TYR 314 N 0.99 3.35 -0.18 5.38 2.02 0.31 -1.64 117.35 127.58 2jg4 s TYR 314 Ca -0.07 -2.27 -0.08 0.00 -0.37 0.00 0.00 57.07 54.28 2jg4 s TYR 314 Cb -0.15 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 2jg4 s TYR 314 CO -0.01 -0.87 0.07 0.08 -1.57 0.00 0.00 175.55 173.25 2jg4 s VAL 315 N 1.13 4.88 -0.01 0.71 1.01 0.04 -1.04 120.40 127.11 2jg4 s VAL 315 Ca -0.04 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2jg4 s VAL 315 Cb -0.20 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jg4 s VAL 315 CO -0.04 0.46 -0.07 -0.89 0.00 0.00 0.00 175.10 174.57 2jg4 s THR 316 N 0.32 0.53 -0.04 3.92 2.01 -0.30 -1.11 115.64 120.97 2jg4 s THR 316 Ca 0.04 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2jg4 s THR 316 Cb -0.12 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 2jg4 s THR 316 CO -0.00 0.16 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.54 2jg4 s PHE 317 N -0.05 1.80 0.32 4.92 0.40 0.10 -0.92 117.98 124.54 2jg4 s PHE 317 Ca 0.01 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.59 2jg4 s PHE 317 Cb -0.04 -1.19 -0.09 0.00 0.51 0.00 0.00 43.02 42.21 2jg4 s PHE 317 CO -0.00 -0.14 1.09 -1.25 0.70 0.00 0.00 175.22 175.62 2jg4 s PRO 318 N -0.11 4.48 0.04 0.24 0.04 -1.26 -0.48 135.00 137.96 2jg4 s PRO 318 Ca -0.01 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 2jg4 s PRO 318 Cb -0.11 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2jg4 s PRO 318 CO 0.02 0.09 -0.02 0.96 0.04 0.00 0.00 177.00 178.08 2jg4 s ILE 319 N -1.30 0.18 0.83 0.56 -4.36 -0.56 -4.84 121.20 111.71 2jg4 s ILE 319 Ca 0.49 -1.50 -0.12 0.00 -0.26 0.00 0.00 60.65 59.26 2jg4 s ILE 319 Cb -0.29 -1.11 0.10 0.00 1.25 0.00 0.00 42.46 42.41 2jg4 s ILE 319 CO 0.37 -0.83 1.19 -2.16 0.24 0.00 0.00 174.94 173.75 2jg4 s PRO 320 N -3.11 1.53 -0.02 0.37 0.04 -1.26 -1.59 135.00 130.95 2jg4 s PRO 320 Ca -0.01 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 2jg4 s PRO 320 Cb 0.02 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 2jg4 s PRO 320 CO -0.07 -2.28 2.00 -3.47 0.04 0.00 0.00 177.00 173.22 2jg4 n ASP 321 N -3.52 3.91 -1.27 6.66 4.64 -1.25 -4.16 116.55 121.56 2jg4 n ASP 321 Ca 0.13 0.82 0.12 0.00 -1.38 0.00 0.00 54.79 54.48 2jg4 n ASP 321 Cb 0.51 -1.50 0.28 0.00 -1.04 0.00 0.00 41.12 39.36 2jg4 n ASP 321 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2jg4 n LEU 322 N 7.96 3.75 -0.21 -2.67 4.77 -1.26 -4.61 117.00 124.73 2jg4 n LEU 322 Ca 0.22 -1.77 0.01 0.00 -0.03 0.00 0.00 56.01 54.44 2jg4 n LEU 322 Cb 0.39 -0.38 0.12 0.00 -2.33 0.00 0.00 43.42 41.22 2jg4 n LEU 322 CO 0.69 0.88 0.92 -0.61 -1.33 0.00 0.00 177.39 177.94 2jg4 h GLN 323 N 4.40 0.26 0.00 3.23 5.75 -1.97 -1.45 115.11 125.33 2jg4 h GLN 323 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2jg4 h GLN 323 Cb 0.99 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.49 2jg4 h GLN 323 CO 0.00 0.17 0.00 0.36 -2.65 0.00 0.00 178.83 176.71 2jg4 n LYS 324 N -5.13 0.04 -0.95 1.69 2.85 -1.26 -1.46 118.16 113.94 2jg4 n LYS 324 Ca 0.10 0.31 0.01 0.00 -1.05 0.00 0.00 58.31 57.67 2jg4 n LYS 324 Cb 0.34 -1.50 0.35 0.00 -0.65 0.00 0.00 35.03 33.57 2jg4 n LYS 324 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2jg4 n TYR 325 N -1.43 2.25 -0.26 5.58 4.01 -0.54 -4.70 117.16 122.07 2jg4 n TYR 325 Ca 0.03 -0.94 0.29 0.00 -0.16 0.00 0.00 57.90 57.11 2jg4 n TYR 325 Cb 0.09 -0.60 0.67 0.00 -0.31 0.00 0.00 39.34 39.19 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 3.32 0.18 -0.09 -0.72 -0.00 -1.39 0.82 116.97 119.09 2jg4 h TYR 326 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 58.73 58.82 2jg4 h TYR 326 Cb 2.14 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 38.81 2jg4 h TYR 326 CO 1.18 0.03 -0.16 0.87 -0.00 0.00 0.00 178.16 180.08 2jg4 h LYS 327 N 0.12 0.14 0.00 0.10 1.57 -1.87 -3.28 116.57 113.34 2jg4 h LYS 327 Ca 0.50 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.23 2jg4 h LYS 327 Cb 1.79 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 2jg4 h LYS 327 CO -0.08 0.30 -1.34 -1.13 -0.57 0.00 0.00 179.45 176.64 2jg4 n SER 328 N -4.29 3.42 -3.69 0.86 3.41 0.10 0.51 113.62 113.95 2jg4 n SER 328 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2jg4 n SER 328 Cb 0.26 1.21 0.04 0.00 -0.26 0.00 0.00 64.21 65.46 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 -1.82 -5.33 -0.08 4.04 3.02 -0.15 -4.76 115.26 110.17 2jg4 n ASN 329 Ca -0.03 -1.02 -0.07 0.00 -0.03 0.00 0.00 54.58 53.44 2jg4 n ASN 329 Cb 0.27 -3.31 -0.00 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.88 -0.09 -0.58 3.52 0.13 -1.91 -1.90 132.00 129.29 2jg4 h PRO 330 Ca -0.66 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.54 2jg4 h PRO 330 Cb 1.36 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.45 2jg4 h PRO 330 CO 0.48 -0.06 0.27 0.78 -0.23 0.00 0.00 178.00 179.24 2jg4 h GLY 331 N -0.09 0.82 1.89 1.56 0.00 -1.91 -1.68 103.07 103.65 2jg4 h GLY 331 Ca 0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 2jg4 h GLY 331 CO -0.36 0.08 -0.34 0.45 0.00 0.00 0.00 176.54 176.37 2jg4 h HIS 332 N 0.51 0.15 -0.04 5.60 3.86 -1.87 0.17 115.15 123.53 2jg4 h HIS 332 Ca 0.27 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2jg4 h HIS 332 Cb 0.23 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2jg4 h HIS 332 CO -0.12 0.46 -0.03 -0.92 0.86 0.00 0.00 177.93 178.18 2jg4 h TYR 333 N 0.12 -0.07 -0.16 2.45 3.20 -0.50 0.25 116.97 122.26 2jg4 h TYR 333 Ca 0.01 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.77 2jg4 h TYR 333 Cb 0.66 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2jg4 h TYR 333 CO 0.01 -0.05 -0.42 -0.07 -1.64 0.00 0.00 178.16 175.99 2jg4 h LEU 334 N -0.03 0.40 0.50 2.82 3.38 -0.97 -2.62 115.31 118.79 2jg4 h LEU 334 Ca 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2jg4 h LEU 334 Cb 0.07 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jg4 h LEU 334 CO -0.06 0.78 -0.28 1.23 0.09 0.00 0.00 178.44 180.20 2jg4 h GLY 335 N 1.17 -0.77 -0.42 0.83 0.00 -0.46 0.48 103.07 103.91 2jg4 h GLY 335 Ca 0.03 0.30 0.26 0.00 0.00 0.00 0.00 47.33 47.92 2jg4 h GLY 335 CO 0.07 -0.28 0.37 0.84 0.00 0.00 0.00 176.54 177.54 2jg4 h HIS 336 N -0.73 0.59 0.01 5.60 -0.00 -0.31 0.45 115.15 120.75 2jg4 h HIS 336 Ca -0.06 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.29 2jg4 h HIS 336 Cb 0.58 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 2jg4 h HIS 336 CO -0.07 -0.17 -0.35 -0.07 -0.00 0.00 0.00 177.93 177.27 2jg4 h LEU 337 N 0.28 0.03 -1.35 0.26 4.07 -1.25 -2.90 115.31 114.45 2jg4 h LEU 337 Ca 0.61 -0.88 -0.03 0.00 0.08 0.00 0.00 57.88 57.66 2jg4 h LEU 337 Cb 1.27 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 2jg4 h LEU 337 CO -0.62 1.14 0.12 0.40 -1.08 0.00 0.00 178.44 178.41 2jg4 h ILE 338 N -0.96 1.17 -0.17 1.22 2.04 -0.70 -2.27 117.51 117.84 2jg4 h ILE 338 Ca -0.09 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2jg4 h ILE 338 Cb 1.11 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2jg4 h ILE 338 CO -0.04 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.93 2jg4 n GLY 339 N -1.11 0.40 3.75 5.37 0.00 0.13 -4.67 105.19 109.06 2jg4 n GLY 339 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.78 2.40 0.00 1.61 5.04 -0.85 -4.82 115.29 116.88 2jg4 s HIS 340 Ca 0.33 1.52 0.00 0.00 -1.54 0.00 0.00 55.06 55.37 2jg4 s HIS 340 Cb 0.18 -3.47 0.00 0.00 0.04 0.00 0.00 32.58 29.33 2jg4 s HIS 340 CO 0.27 -2.19 0.41 0.39 -2.34 0.00 0.00 174.74 171.28 2jg4 n GLU 341 N -1.59 0.25 -1.17 2.88 1.02 -1.26 -4.29 120.64 116.48 2jg4 n GLU 341 Ca 0.14 -0.41 -0.27 0.00 -0.02 0.00 0.00 57.16 56.59 2jg4 n GLU 341 Cb 0.50 -0.91 0.21 0.00 -0.02 0.00 0.00 31.44 31.22 2jg4 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg4 n GLY 342 N 0.15 -2.35 3.69 0.62 0.00 -1.26 -4.35 105.19 101.69 2jg4 n GLY 342 Ca 0.00 -1.56 -0.44 0.00 0.00 0.00 0.00 46.02 44.02 2jg4 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jg4 n PRO 343 N -4.21 2.19 0.00 1.61 -0.02 -1.26 -2.30 135.00 131.01 2jg4 n PRO 343 Ca 0.14 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2jg4 n PRO 343 Cb 0.53 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.09 1.21 3.81 -1.23 0.00 -1.26 -4.72 105.19 105.09 2jg4 n GLY 344 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.06 5.13 0.14 1.61 1.04 -0.97 -1.71 113.70 116.86 2jg4 s SER 345 Ca 0.00 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 57.80 2jg4 s SER 345 Cb 0.00 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 2jg4 s SER 345 CO 0.00 -1.60 1.67 0.25 0.98 0.00 0.00 173.24 174.54 2jg4 h LEU 346 N -0.83 -0.44 -0.56 2.42 5.85 -1.83 -2.32 115.31 117.60 2jg4 h LEU 346 Ca -0.44 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.47 2jg4 h LEU 346 Cb 1.22 0.22 -0.11 0.00 0.37 0.00 0.00 40.66 42.37 2jg4 h LEU 346 CO 0.57 -0.18 -0.28 0.25 -0.34 0.00 0.00 178.44 178.46 2jg4 h LEU 347 N -0.14 -0.96 -0.89 2.25 6.46 -1.84 -2.24 115.31 117.95 2jg4 h LEU 347 Ca 0.11 0.21 0.12 0.00 -0.12 0.00 0.00 57.88 58.20 2jg4 h LEU 347 Cb 0.31 0.50 -0.08 0.00 -0.73 0.00 0.00 40.66 40.65 2jg4 h LEU 347 CO -0.27 -0.28 0.51 0.28 -0.62 0.00 0.00 178.44 178.06 2jg4 h SER 348 N -0.13 0.69 -0.05 1.25 0.02 -1.71 0.20 113.55 113.82 2jg4 h SER 348 Ca 0.24 0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 61.01 2jg4 h SER 348 Cb 0.52 -0.06 0.02 0.00 0.14 0.00 0.00 62.40 63.02 2jg4 h SER 348 CO -0.64 0.35 -0.93 -0.08 -1.14 0.00 0.00 176.83 174.39 2jg4 h GLU 349 N 0.78 0.71 -0.19 3.45 4.57 -1.30 -0.76 114.58 121.84 2jg4 h GLU 349 Ca 0.46 -0.71 -0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2jg4 h GLU 349 Cb 0.53 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2jg4 h GLU 349 CO -0.30 1.29 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.71 2jg4 h LEU 350 N 0.41 0.26 0.03 1.64 3.38 -0.75 -1.62 115.31 118.65 2jg4 h LEU 350 Ca -0.10 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.57 2jg4 h LEU 350 Cb 1.58 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 42.29 2jg4 h LEU 350 CO 0.19 0.35 -1.03 0.50 0.09 0.00 0.00 178.44 178.54 2jg4 h LYS 351 N 0.27 0.65 -0.44 1.13 3.64 -0.51 -1.42 116.57 119.89 2jg4 h LYS 351 Ca 0.06 -0.74 0.01 0.00 -1.27 0.00 0.00 60.65 58.72 2jg4 h LYS 351 Cb 0.27 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2jg4 h LYS 351 CO 0.01 1.31 0.29 0.77 -2.27 0.00 0.00 179.45 179.56 2jg4 h SER 352 N 0.30 0.47 -0.05 4.20 0.02 -0.78 -0.86 113.55 116.86 2jg4 h SER 352 Ca -0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2jg4 h SER 352 Cb 1.70 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2jg4 h SER 352 CO 0.20 0.33 0.00 0.29 -1.14 0.00 0.00 176.83 176.51 2jg4 n LYS 353 N -4.47 1.20 -2.76 3.45 5.02 -0.64 -4.89 118.16 115.07 2jg4 n LYS 353 Ca 0.04 -0.31 -0.19 0.00 -2.02 0.00 0.00 58.31 55.84 2jg4 n LYS 353 Cb 0.09 -1.31 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.88 -0.33 0.10 0.72 0.00 -0.33 -4.93 105.19 101.30 2jg4 n GLY 354 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.25 0.00 -4.00 1.61 8.01 -0.54 -4.16 117.44 114.12 2jg4 n TRP 355 Ca -0.12 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.99 2jg4 n TRP 355 Cb 0.62 -0.92 -0.09 0.00 -2.01 0.00 0.00 31.31 28.91 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 -2.46 0.17 -0.17 -0.99 -7.23 -1.18 -1.24 120.40 107.30 2jg4 s VAL 356 Ca -0.19 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2jg4 s VAL 356 Cb 0.07 -1.21 -0.11 0.00 0.56 0.00 0.00 36.38 35.68 2jg4 s VAL 356 CO 0.67 -0.79 -0.15 0.59 -0.31 0.00 0.00 175.10 175.10 2jg4 n ASN 357 N 0.39 2.62 -4.19 4.85 3.02 -1.26 -4.13 115.26 116.55 2jg4 n ASN 357 Ca -0.16 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.14 2jg4 n ASN 357 Cb 0.60 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.34 1.12 0.00 3.41 -4.23 -1.26 -5.02 115.64 107.32 2jg4 s THR 358 Ca -0.23 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 2jg4 s THR 358 Cb 0.06 -1.30 -0.00 0.00 1.34 0.00 0.00 72.50 72.60 2jg4 s THR 358 CO 0.39 -0.39 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.85 2jg4 s LEU 359 N -2.19 2.02 -0.08 4.79 0.20 -1.26 -2.98 118.68 119.19 2jg4 s LEU 359 Ca 0.04 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2jg4 s LEU 359 Cb -0.06 -0.01 0.01 0.00 -0.43 0.00 0.00 46.19 45.70 2jg4 s LEU 359 CO 0.02 -0.02 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.21 2jg4 s VAL 360 N -0.14 1.38 0.21 1.68 1.01 0.48 -4.97 120.40 120.06 2jg4 s VAL 360 Ca -0.01 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2jg4 s VAL 360 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2jg4 s VAL 360 CO -0.00 0.41 -0.02 -0.83 0.00 0.00 0.00 175.10 174.66 2jg4 s GLY 361 N 0.64 1.45 0.00 4.51 0.00 -1.26 -0.31 107.32 112.35 2jg4 s GLY 361 Ca -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.87 2jg4 s GLY 361 CO 0.04 -1.65 0.00 0.61 0.00 0.00 0.00 173.10 172.10 2jg4 n GLY 362 N -0.37 0.44 3.78 0.20 0.00 -0.69 -4.69 105.19 103.85 2jg4 n GLY 362 Ca -0.06 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.54 4.28 -0.11 1.61 -2.07 -1.26 -0.81 119.66 120.76 2jg4 s GLN 363 Ca 0.00 0.75 0.01 0.00 -1.82 0.00 0.00 55.36 54.30 2jg4 s GLN 363 Cb 0.00 -3.30 -0.01 0.00 -1.09 0.00 0.00 33.01 28.60 2jg4 s GLN 363 CO 0.00 0.47 -0.15 0.21 -1.32 0.00 0.00 175.29 174.50 2jg4 s LYS 364 N -0.54 3.20 0.68 9.60 2.20 -0.03 -4.95 119.74 129.90 2jg4 s LYS 364 Ca 0.30 -0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 55.03 2jg4 s LYS 364 Cb -0.19 -2.54 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 2jg4 s LYS 364 CO 0.18 0.27 1.05 0.39 -0.36 0.00 0.00 175.35 176.89 2jg4 n GLU 365 N 3.34 0.71 0.00 4.03 1.02 -1.26 -1.38 120.64 127.10 2jg4 n GLU 365 Ca -0.18 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2jg4 n GLU 365 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2jg4 n GLU 365 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jg4 n GLY 366 N 1.07 0.44 1.48 0.62 0.00 -1.19 -4.63 105.19 102.98 2jg4 n GLY 366 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.50 -0.75 -1.59 4.61 0.00 -0.40 -4.98 120.51 114.91 2jg4 n ALA 367 Ca 0.00 -0.49 -0.46 0.00 0.00 0.00 0.00 53.44 52.50 2jg4 n ALA 367 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.22 1.92 0.00 0.00 5.12 -1.26 -1.81 116.66 120.41 2jg4 n ARG 368 Ca -0.03 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2jg4 n ARG 368 Cb 0.23 -2.92 0.00 0.00 -1.16 0.00 0.00 32.46 28.61 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 5.54 1.15 3.37 -0.13 0.00 -1.26 -0.09 105.19 113.77 2jg4 n GLY 369 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.19 -0.45 0.24 1.61 -0.12 -0.75 -3.86 117.98 112.46 2jg4 s PHE 370 Ca 0.00 0.93 0.01 0.00 -0.05 0.00 0.00 56.93 57.82 2jg4 s PHE 370 Cb 0.00 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2jg4 s PHE 370 CO 0.00 -0.38 0.18 -1.64 -0.05 0.00 0.00 175.22 173.34 2jg4 s MET 371 N -0.57 1.37 0.16 1.99 -1.94 -0.62 -1.27 119.30 118.42 2jg4 s MET 371 Ca -0.07 -1.73 0.09 0.00 -1.71 0.00 0.00 55.69 52.27 2jg4 s MET 371 Cb -0.03 0.29 -0.04 0.00 2.01 0.00 0.00 34.83 37.06 2jg4 s MET 371 CO 0.04 -0.47 -0.19 -0.06 -0.01 0.00 0.00 175.02 174.33 2jg4 s PHE 372 N -3.95 1.84 -0.09 -0.03 0.40 -0.48 -1.50 117.98 114.18 2jg4 s PHE 372 Ca 0.39 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2jg4 s PHE 372 Cb 0.05 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 2jg4 s PHE 372 CO 0.16 0.32 -0.20 0.12 0.70 0.00 0.00 175.22 176.33 2jg4 s PHE 373 N -1.89 2.62 0.02 0.36 2.19 0.37 -0.85 117.98 120.81 2jg4 s PHE 373 Ca 0.15 -0.75 0.06 0.00 0.33 0.00 0.00 56.93 56.72 2jg4 s PHE 373 Cb -0.06 -1.72 -0.02 0.00 -1.31 0.00 0.00 43.02 39.91 2jg4 s PHE 373 CO 0.06 -0.24 -0.19 0.96 1.83 0.00 0.00 175.22 177.65 2jg4 s ILE 374 N 0.10 1.48 -0.14 3.12 -5.25 0.01 -0.72 121.20 119.81 2jg4 s ILE 374 Ca -0.09 -0.99 0.00 0.00 -0.99 0.00 0.00 60.65 58.57 2jg4 s ILE 374 Cb -0.15 -1.27 0.02 0.00 2.95 0.00 0.00 42.46 44.01 2jg4 s ILE 374 CO 0.06 0.25 -0.12 -0.63 -1.79 0.00 0.00 174.94 172.71 2jg4 s ILE 375 N -0.66 1.36 -0.06 8.37 1.01 -0.27 -1.70 121.20 129.24 2jg4 s ILE 375 Ca 0.06 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.24 2jg4 s ILE 375 Cb -0.08 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.09 2jg4 s ILE 375 CO 0.01 0.42 -0.14 0.20 0.00 0.00 0.00 174.94 175.43 2jg4 s ASN 376 N 1.58 1.92 0.13 3.58 0.01 0.57 -0.78 114.94 121.95 2jg4 s ASN 376 Ca 0.05 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 2jg4 s ASN 376 Cb -0.13 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 2jg4 s ASN 376 CO -0.10 0.07 -0.13 0.68 -1.51 0.00 0.00 177.10 176.12 2jg4 s VAL 377 N 0.48 1.29 0.47 1.60 -7.23 -0.65 -0.38 120.40 115.97 2jg4 s VAL 377 Ca -0.12 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2jg4 s VAL 377 Cb -0.15 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 2jg4 s VAL 377 CO 0.04 -0.53 0.73 1.51 -0.31 0.00 0.00 175.10 176.53 2jg4 s ASP 378 N -2.72 6.06 -0.04 4.85 3.84 -1.16 -0.70 116.67 126.79 2jg4 s ASP 378 Ca 0.12 0.65 0.06 0.00 -0.00 0.00 0.00 52.55 53.38 2jg4 s ASP 378 Cb -0.02 -1.95 -0.01 0.00 -1.38 0.00 0.00 42.92 39.55 2jg4 s ASP 378 CO 0.02 -0.63 -0.24 -0.76 -0.00 0.00 0.00 175.17 173.57 2jg4 s LEU 379 N -4.66 2.04 1.01 2.11 1.43 0.21 -4.08 118.68 116.75 2jg4 s LEU 379 Ca 0.47 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 2jg4 s LEU 379 Cb -0.10 -1.27 0.20 0.00 0.03 0.00 0.00 46.19 45.05 2jg4 s LEU 379 CO 0.42 0.25 1.21 0.42 0.23 0.00 0.00 176.35 178.88 2jg4 s THR 380 N -0.26 1.89 0.18 5.49 -4.23 -0.37 -4.63 115.64 113.70 2jg4 s THR 380 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 2jg4 s THR 380 Cb -0.12 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 70.99 2jg4 s THR 380 CO 0.02 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.45 2jg4 h GLU 381 N -1.84 1.00 -0.63 3.99 5.08 -1.89 -0.13 114.58 120.18 2jg4 h GLU 381 Ca -0.46 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 57.65 2jg4 h GLU 381 Cb 1.28 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2jg4 h GLU 381 CO 0.44 0.92 0.39 0.93 -1.00 0.00 0.00 179.01 180.69 2jg4 h GLU 382 N 0.92 0.84 -0.80 2.33 4.39 -1.92 -3.02 114.58 117.32 2jg4 h GLU 382 Ca 0.19 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2jg4 h GLU 382 Cb 0.38 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 2jg4 h GLU 382 CO 0.01 0.59 0.47 0.78 -1.16 0.00 0.00 179.01 179.69 2jg4 h GLY 383 N 0.85 1.21 0.43 -3.84 0.00 -1.50 -0.42 103.07 99.80 2jg4 h GLY 383 Ca 0.23 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.37 2jg4 h GLY 383 CO -0.04 0.18 0.62 -2.00 0.00 0.00 0.00 176.54 175.29 2jg4 h LEU 384 N 0.82 0.84 -0.10 3.11 5.85 -0.92 -0.18 115.31 124.73 2jg4 h LEU 384 Ca 0.37 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2jg4 h LEU 384 Cb 0.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2jg4 h LEU 384 CO -0.21 0.42 0.00 0.18 -0.34 0.00 0.00 178.44 178.49 2jg4 n LEU 385 N -4.62 0.15 -1.63 2.25 4.77 -0.19 -4.01 117.00 113.72 2jg4 n LEU 385 Ca 0.19 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 56.13 2jg4 n LEU 385 Cb 0.42 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 2jg4 n LEU 385 CO 0.27 0.03 0.12 1.41 -1.33 0.00 0.00 177.39 177.89 2jg4 n HIS 386 N -0.86 0.51 -0.02 -1.77 8.25 -0.09 -4.87 115.22 116.36 2jg4 n HIS 386 Ca 0.23 -1.21 -0.10 0.00 -0.26 0.00 0.00 57.72 56.38 2jg4 n HIS 386 Cb 0.13 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 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 4.99 0.93 -0.83 1.59 2.07 -1.66 -0.36 116.25 122.98 2jg4 h VAL 387 Ca -0.11 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.50 2jg4 h VAL 387 Cb 1.55 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 2jg4 h VAL 387 CO 0.15 0.02 0.45 -0.08 0.02 0.00 0.00 177.57 178.13 2jg4 h GLU 388 N 0.09 0.69 -0.22 1.57 4.81 -1.92 -1.02 114.58 118.57 2jg4 h GLU 388 Ca 0.07 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2jg4 h GLU 388 Cb 0.06 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2jg4 h GLU 388 CO -0.09 0.45 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.20 2jg4 h ASP 389 N 0.71 0.39 -0.58 1.04 3.32 -1.82 -1.77 116.42 117.70 2jg4 h ASP 389 Ca 0.42 -0.31 0.11 0.00 0.02 0.00 0.00 57.03 57.27 2jg4 h ASP 389 Cb 0.49 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.86 2jg4 h ASP 389 CO -0.30 0.60 0.11 0.40 -1.72 0.00 0.00 179.24 178.34 2jg4 h ILE 390 N 0.16 0.65 -0.54 0.35 2.04 -0.43 -1.09 117.51 118.64 2jg4 h ILE 390 Ca 0.06 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2jg4 h ILE 390 Cb 0.41 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2jg4 h ILE 390 CO 0.01 0.04 0.04 0.40 0.00 0.00 0.00 178.15 178.65 2jg4 h ILE 391 N 0.25 1.26 -0.65 -0.67 2.04 -1.14 -0.77 117.51 117.82 2jg4 h ILE 391 Ca 0.30 -1.04 0.12 0.00 1.00 0.00 0.00 64.86 65.24 2jg4 h ILE 391 Cb 0.44 0.87 -0.09 0.00 -0.74 0.00 0.00 36.82 37.31 2jg4 h ILE 391 CO -0.39 0.37 0.20 0.25 0.00 0.00 0.00 178.15 178.57 2jg4 h LEU 392 N 0.81 0.12 -0.95 1.44 5.85 -0.61 -0.77 115.31 121.20 2jg4 h LEU 392 Ca 0.16 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 2jg4 h LEU 392 Cb 0.47 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2jg4 h LEU 392 CO 0.02 0.06 -0.04 0.45 -0.34 0.00 0.00 178.44 178.58 2jg4 h HIS 393 N 0.34 0.76 -0.10 1.25 3.86 -0.69 0.79 115.15 121.36 2jg4 h HIS 393 Ca 0.34 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 2jg4 h HIS 393 Cb 0.50 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 2jg4 h HIS 393 CO -0.21 0.74 -0.13 0.52 0.86 0.00 0.00 177.93 179.71 2jg4 h MET 394 N 0.66 -0.16 -0.14 2.45 2.86 0.06 -1.12 114.93 119.53 2jg4 h MET 394 Ca 0.13 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2jg4 h MET 394 Cb 0.48 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 2jg4 h MET 394 CO 0.02 -0.11 -0.32 0.74 1.06 0.00 0.00 176.91 178.31 2jg4 h PHE 395 N -0.17 0.31 -0.34 -0.22 -1.00 -0.78 -1.25 116.94 113.50 2jg4 h PHE 395 Ca 0.08 -0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.80 2jg4 h PHE 395 Cb 0.29 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 2jg4 h PHE 395 CO -0.24 0.57 0.21 1.96 -1.61 0.00 0.00 178.31 179.21 2jg4 h GLN 396 N 0.24 0.42 -0.55 1.51 4.20 -0.54 0.33 115.11 120.73 2jg4 h GLN 396 Ca 0.03 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2jg4 h GLN 396 Cb 0.69 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2jg4 h GLN 396 CO 0.05 0.28 0.25 -0.92 -0.67 0.00 0.00 178.83 177.82 2jg4 h TYR 397 N 0.43 0.82 -0.89 2.96 3.20 -0.62 0.85 116.97 123.71 2jg4 h TYR 397 Ca 0.13 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2jg4 h TYR 397 Cb -0.02 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 2jg4 h TYR 397 CO -0.07 0.65 0.59 0.82 -1.64 0.00 0.00 178.16 178.51 2jg4 h ILE 398 N 0.75 1.17 -0.45 1.81 2.04 -0.87 -1.64 117.51 120.33 2jg4 h ILE 398 Ca 0.19 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 2jg4 h ILE 398 Cb 0.15 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 2jg4 h ILE 398 CO -0.02 0.21 -0.20 -0.61 0.00 0.00 0.00 178.15 177.52 2jg4 h GLN 399 N 1.14 0.89 -0.90 2.37 5.75 0.58 -1.93 115.11 122.99 2jg4 h GLN 399 Ca 0.35 -0.36 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2jg4 h GLN 399 Cb -0.02 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.44 2jg4 h GLN 399 CO -0.10 1.01 0.59 -0.22 -2.65 0.00 0.00 178.83 177.46 2jg4 h LYS 400 N 0.78 1.07 -0.39 1.69 1.63 0.03 0.94 116.57 122.32 2jg4 h LYS 400 Ca 0.11 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.75 2jg4 h LYS 400 Cb 0.75 -0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 2jg4 h LYS 400 CO 0.06 0.71 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.58 2jg4 h LEU 401 N 1.10 0.78 0.04 5.20 3.38 -0.98 -0.68 115.31 124.16 2jg4 h LEU 401 Ca 0.37 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jg4 h LEU 401 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jg4 h LEU 401 CO -0.12 0.98 -0.07 0.03 0.09 0.00 0.00 178.44 179.35 2jg4 h ARG 402 N 0.58 -0.13 -1.01 1.13 3.08 -0.93 -1.17 114.38 115.92 2jg4 h ARG 402 Ca 0.10 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.24 2jg4 h ARG 402 Cb 0.65 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 2jg4 h ARG 402 CO 0.04 -0.09 0.65 0.00 -1.07 0.00 0.00 179.97 179.50 2jg4 h ALA 403 N 0.82 1.44 0.00 0.04 0.00 -0.67 -2.38 119.26 118.52 2jg4 h ALA 403 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg4 h ALA 403 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jg4 h ALA 403 CO -0.04 0.38 -0.16 0.93 0.00 0.00 0.00 179.25 180.35 2jg4 h GLU 404 N 1.12 0.00 -2.39 0.00 4.39 -0.96 -3.51 114.58 113.23 2jg4 h GLU 404 Ca 0.46 0.00 0.25 0.00 0.34 0.00 0.00 59.36 60.40 2jg4 h GLU 404 Cb 0.27 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.80 2jg4 h GLU 404 CO -0.20 0.00 -0.80 0.41 -1.16 0.00 0.00 179.01 177.26 2jg4 n GLY 405 N 1.19 -2.92 3.58 -3.84 0.00 -0.46 -4.89 105.19 97.86 2jg4 n GLY 405 Ca 0.04 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 2jg4 n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jg4 n PRO 406 N -3.66 0.80 -3.85 1.61 -0.02 -1.26 -4.93 135.00 123.68 2jg4 n PRO 406 Ca -0.05 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 2jg4 n PRO 406 Cb 0.47 -2.07 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 2jg4 n PRO 406 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2jg4 s GLN 407 N -2.63 1.03 0.27 -0.52 2.00 -1.26 -5.01 119.66 113.54 2jg4 s GLN 407 Ca 0.75 -1.41 -0.03 0.00 -2.00 0.00 0.00 55.36 52.66 2jg4 s GLN 407 Cb -0.42 -2.47 0.35 0.00 0.80 0.00 0.00 33.01 31.27 2jg4 s GLN 407 CO 0.48 -0.97 1.86 1.49 -0.50 0.00 0.00 175.29 177.65 2jg4 h GLU 408 N 7.87 1.00 -0.40 1.67 4.81 -2.00 -2.42 114.58 125.11 2jg4 h GLU 408 Ca -0.10 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2jg4 h GLU 408 Cb 1.01 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 2jg4 h GLU 408 CO 0.49 0.80 0.16 0.11 -0.73 0.00 0.00 179.01 179.84 2jg4 h TRP 409 N 0.99 0.56 0.41 0.92 5.08 -1.98 0.30 115.95 122.24 2jg4 h TRP 409 Ca 0.24 -0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.17 2jg4 h TRP 409 Cb 0.15 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2jg4 h TRP 409 CO 0.01 0.44 -0.21 0.28 -1.28 0.00 0.00 178.44 177.69 2jg4 h VAL 410 N 0.56 0.58 -0.48 0.12 2.07 -1.87 0.21 116.25 117.44 2jg4 h VAL 410 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 2jg4 h VAL 410 Cb 0.12 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2jg4 h VAL 410 CO -0.01 0.00 0.21 0.15 0.02 0.00 0.00 177.57 177.94 2jg4 h PHE 411 N -0.56 0.38 -0.62 1.57 3.57 -1.27 -1.49 116.94 118.52 2jg4 h PHE 411 Ca -0.05 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2jg4 h PHE 411 Cb 0.44 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2jg4 h PHE 411 CO -0.05 0.17 0.39 0.37 -2.23 0.00 0.00 178.31 176.95 2jg4 h GLN 412 N 0.42 0.84 -0.27 1.11 5.75 -0.22 0.20 115.11 122.93 2jg4 h GLN 412 Ca 0.22 -0.07 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2jg4 h GLN 412 Cb 0.17 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 2jg4 h GLN 412 CO -0.18 0.58 0.07 1.49 -2.65 0.00 0.00 178.83 178.14 2jg4 h GLU 413 N 0.84 0.18 -0.56 1.69 4.81 -0.01 -0.30 114.58 121.23 2jg4 h GLU 413 Ca 0.22 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 2jg4 h GLU 413 Cb -0.05 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 2jg4 h GLU 413 CO -0.04 0.12 0.31 0.00 -0.73 0.00 0.00 179.01 178.67 2jg4 h LYS 415 N 0.61 -0.05 -0.29 0.00 3.64 0.01 0.39 116.57 120.87 2jg4 h LYS 415 Ca 0.24 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2jg4 h LYS 415 Cb 0.10 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2jg4 h LYS 415 CO -0.14 -0.03 -0.27 -0.44 -2.27 0.00 0.00 179.45 176.30 2jg4 h ASP 416 N -0.05 0.58 -0.15 4.20 3.32 -0.83 -1.42 116.42 122.06 2jg4 h ASP 416 Ca 0.14 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2jg4 h ASP 416 Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2jg4 h ASP 416 CO -0.31 0.83 0.01 -0.07 -1.72 0.00 0.00 179.24 177.98 2jg4 h LEU 417 N 0.50 0.26 -1.17 1.55 4.07 -0.91 -2.24 115.31 117.36 2jg4 h LEU 417 Ca 0.07 -0.29 0.02 0.00 0.08 0.00 0.00 57.88 57.75 2jg4 h LEU 417 Cb 0.72 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.35 2jg4 h LEU 417 CO 0.06 0.49 0.56 0.78 -1.08 0.00 0.00 178.44 179.24 2jg4 h ASN 418 N 0.02 0.96 -0.10 -0.43 4.21 -0.73 0.18 115.58 119.68 2jg4 h ASN 418 Ca 0.04 -0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.56 2jg4 h ASN 418 Cb 0.35 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 2jg4 h ASN 418 CO 0.01 0.68 -0.05 0.00 -1.29 0.00 0.00 177.43 176.78 2jg4 h ALA 419 N 1.48 0.04 -0.04 -0.83 0.00 -1.11 0.12 119.26 118.92 2jg4 h ALA 419 Ca 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jg4 h ALA 419 Cb -0.09 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jg4 h ALA 419 CO -0.08 -0.51 0.01 0.28 0.00 0.00 0.00 179.25 178.95 2jg4 h VAL 420 N -0.05 1.19 -0.47 0.00 2.07 -0.76 -0.40 116.25 117.83 2jg4 h VAL 420 Ca 0.06 -0.56 0.10 0.00 0.82 0.00 0.00 66.70 67.12 2jg4 h VAL 420 Cb 0.13 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 2jg4 h VAL 420 CO -0.13 0.15 -0.17 0.00 0.02 0.00 0.00 177.57 177.44 2jg4 h ALA 421 N 0.79 0.21 -0.46 1.67 0.00 -0.52 -0.16 119.26 120.79 2jg4 h ALA 421 Ca 0.01 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2jg4 h ALA 421 Cb 0.23 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2jg4 h ALA 421 CO 0.00 -0.51 0.03 0.35 0.00 0.00 0.00 179.25 179.12 2jg4 h PHE 422 N -0.07 0.87 -0.39 0.00 3.57 -0.54 -0.01 116.94 120.37 2jg4 h PHE 422 Ca 0.23 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2jg4 h PHE 422 Cb 0.42 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2jg4 h PHE 422 CO -0.45 0.83 0.20 -0.09 -2.23 0.00 0.00 178.31 176.57 2jg4 h ARG 423 N 0.66 0.40 -0.47 1.11 2.43 -0.56 -3.22 114.38 114.73 2jg4 h ARG 423 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2jg4 h ARG 423 Cb 0.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2jg4 h ARG 423 CO 0.02 0.26 0.00 1.19 -1.51 0.00 0.00 179.97 179.93 2jg4 n PHE 424 N -4.91 1.54 -2.23 2.20 0.99 -0.12 -4.24 117.46 110.69 2jg4 n PHE 424 Ca 0.01 -0.75 -0.36 0.00 -0.00 0.00 0.00 57.45 56.35 2jg4 n PHE 424 Cb 0.09 -0.39 -0.00 0.00 -1.00 0.00 0.00 39.48 38.18 2jg4 n PHE 424 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 2jg4 s LYS 425 N -2.58 3.52 0.54 -1.08 -2.85 -0.05 -4.93 119.74 112.31 2jg4 s LYS 425 Ca 0.49 1.72 -0.21 0.00 -1.00 0.00 0.00 55.97 56.97 2jg4 s LYS 425 Cb 0.37 -2.20 -0.05 0.00 -2.06 0.00 0.00 37.83 33.89 2jg4 s LYS 425 CO 0.15 -0.74 1.22 -0.51 0.10 0.00 0.00 175.35 175.57 2jg4 s ASP 426 N -1.54 5.53 0.20 0.03 1.01 -1.26 -4.97 116.67 115.67 2jg4 s ASP 426 Ca 0.69 2.43 -0.30 0.00 0.71 0.00 0.00 52.55 56.07 2jg4 s ASP 426 Cb -0.27 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 40.97 2jg4 s ASP 426 CO 0.32 -1.36 1.34 -0.75 0.21 0.00 0.00 175.17 174.92 2jg4 s LYS 427 N -3.05 4.36 0.53 8.23 2.20 -1.26 -5.00 119.74 125.75 2jg4 s LYS 427 Ca 0.72 2.10 -0.12 0.00 -0.36 0.00 0.00 55.97 58.31 2jg4 s LYS 427 Cb -0.31 -3.18 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 2jg4 s LYS 427 CO 0.36 -0.30 0.93 -1.21 -0.36 0.00 0.00 175.35 174.77 2jg4 s GLU 428 N -0.04 3.74 0.08 4.03 8.01 -1.26 -4.44 118.70 128.83 2jg4 s GLU 428 Ca 0.58 0.69 -0.31 0.00 0.01 0.00 0.00 54.97 55.94 2jg4 s GLU 428 Cb -0.37 -2.20 -0.06 0.00 -4.31 0.00 0.00 34.13 27.19 2jg4 s GLU 428 CO 0.38 -0.33 1.25 1.03 0.01 0.00 0.00 175.26 177.61 2jg4 s ARG 429 N -4.52 4.40 0.30 1.61 0.52 -1.26 -4.96 118.95 115.05 2jg4 s ARG 429 Ca 0.55 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 2jg4 s ARG 429 Cb -0.10 -3.31 0.52 0.00 0.52 0.00 0.00 34.95 32.57 2jg4 s ARG 429 CO 0.41 -0.30 1.90 -1.35 0.02 0.00 0.00 175.30 175.99 2jg4 h PRO 430 N 6.70 1.02 0.54 3.54 0.11 -1.96 -1.64 132.00 140.31 2jg4 h PRO 430 Ca -0.42 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2jg4 h PRO 430 Cb 1.21 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 32.10 2jg4 h PRO 430 CO 0.82 0.67 -0.26 -0.09 -0.21 0.00 0.00 178.00 178.93 2jg4 h ARG 431 N 1.05 -0.70 -0.40 1.05 2.43 -1.90 0.37 114.38 116.28 2jg4 h ARG 431 Ca 0.40 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.66 2jg4 h ARG 431 Cb 0.22 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2jg4 h ARG 431 CO -0.16 -0.45 0.27 0.78 -1.51 0.00 0.00 179.97 178.90 2jg4 h GLY 432 N -0.77 0.43 0.55 2.80 0.00 -1.94 -2.57 103.07 101.58 2jg4 h GLY 432 Ca -0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2jg4 h GLY 432 CO 0.12 0.12 -0.19 -1.82 0.00 0.00 0.00 176.54 174.78 2jg4 h TYR 433 N 0.36 0.27 -0.48 5.60 3.20 -0.92 -1.86 116.97 123.14 2jg4 h TYR 433 Ca 0.17 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2jg4 h TYR 433 Cb 0.21 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2jg4 h TYR 433 CO -0.00 0.82 0.10 1.79 -1.64 0.00 0.00 178.16 179.23 2jg4 h THR 434 N -0.35 1.24 0.18 1.81 1.35 -0.88 -1.43 112.91 114.82 2jg4 h THR 434 Ca -0.01 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2jg4 h THR 434 Cb 0.83 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 2jg4 h THR 434 CO 0.04 0.31 -0.18 -1.28 -0.25 0.00 0.00 175.52 174.16 2jg4 h SER 435 N 0.65 -0.48 -0.28 5.36 0.87 -1.51 0.15 113.55 118.31 2jg4 h SER 435 Ca 0.15 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 2jg4 h SER 435 Cb 0.35 0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 2jg4 h SER 435 CO 0.00 -0.27 0.06 0.50 -0.53 0.00 0.00 176.83 176.59 2jg4 h LYS 436 N -0.39 0.16 -0.23 2.24 1.63 -1.26 -2.39 116.57 116.32 2jg4 h LYS 436 Ca 0.00 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2jg4 h LYS 436 Cb 0.37 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2jg4 h LYS 436 CO -0.05 0.10 0.09 0.82 -3.45 0.00 0.00 179.45 176.96 2jg4 h ILE 437 N 0.16 1.17 -0.96 2.00 2.04 -0.98 -1.89 117.51 119.05 2jg4 h ILE 437 Ca 0.13 -0.53 0.22 0.00 1.00 0.00 0.00 64.86 65.68 2jg4 h ILE 437 Cb 0.13 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 2jg4 h ILE 437 CO -0.17 0.17 0.63 0.00 0.00 0.00 0.00 178.15 178.78 2jg4 h ALA 438 N 0.93 2.19 -0.19 1.87 0.00 -0.49 -0.80 119.26 122.77 2jg4 h ALA 438 Ca 0.08 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2jg4 h ALA 438 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jg4 h ALA 438 CO -0.01 -0.52 -0.40 0.78 0.00 0.00 0.00 179.25 179.10 2jg4 h GLY 439 N 0.43 0.67 1.45 0.00 0.00 -0.87 -3.32 103.07 101.42 2jg4 h GLY 439 Ca 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2jg4 h GLY 439 CO -0.22 0.72 -0.29 0.29 0.00 0.00 0.00 176.54 177.04 2jg4 n ILE 440 N -4.24 0.04 0.32 2.60 -5.35 -0.52 -3.34 119.36 108.87 2jg4 n ILE 440 Ca -0.06 -0.03 0.22 0.00 -0.27 0.00 0.00 62.75 62.61 2jg4 n ILE 440 Cb 0.54 -0.11 1.12 0.00 -1.74 0.00 0.00 39.64 39.46 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 -0.23 7.28 3.38 -1.29 0.19 115.31 124.63 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 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 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 -3.04 0.36 0.06 1.13 8.25 -1.21 -4.10 115.22 116.67 2jg4 n HIS 442 Ca -0.02 0.13 0.02 0.00 -0.26 0.00 0.00 57.72 57.59 2jg4 n HIS 442 Cb 0.10 -0.71 -0.03 0.00 1.12 0.00 0.00 29.99 30.46 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 -1.82 0.00 -3.98 4.41 4.02 0.05 -5.05 117.16 114.79 2jg4 n TYR 443 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 2jg4 n TYR 443 Cb 0.24 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.37 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 -2.07 0.26 0.46 -0.72 2.02 -1.19 -5.08 117.35 111.03 2jg4 s TYR 444 Ca -0.01 -0.53 -0.22 0.00 -0.37 0.00 0.00 57.07 55.94 2jg4 s TYR 444 Cb 0.03 -0.19 -0.10 0.00 -0.40 0.00 0.00 41.96 41.30 2jg4 s TYR 444 CO 0.19 -0.19 0.85 -2.30 -1.57 0.00 0.00 175.55 172.54 2jg4 n PRO 445 N 1.61 1.03 -0.33 -1.71 -0.02 -1.26 -4.76 135.00 129.55 2jg4 n PRO 445 Ca -0.24 0.38 0.23 0.00 -2.02 0.00 0.00 63.50 61.85 2jg4 n PRO 445 Cb 0.55 -1.91 0.47 0.00 -0.02 0.00 0.00 33.50 32.59 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 1.09 0.49 -1.45 2.45 -0.00 -1.97 0.87 115.31 116.79 2jg4 h LEU 446 Ca -0.44 0.19 -0.04 0.00 -0.00 0.00 0.00 57.88 57.59 2jg4 h LEU 446 Cb 1.36 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 42.16 2jg4 h LEU 446 CO 0.54 -0.14 -0.18 -0.33 -0.00 0.00 0.00 178.44 178.33 2jg4 h GLU 447 N 0.32 0.00 -0.01 1.13 3.07 -1.88 -3.19 114.58 114.02 2jg4 h GLU 447 Ca 0.73 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.59 2jg4 h GLU 447 Cb 1.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 2jg4 h GLU 447 CO -0.61 0.18 -0.59 0.39 -1.40 0.00 0.00 179.01 176.98 2jg4 n GLU 448 N -3.47 1.20 -0.28 2.33 1.02 0.29 -1.93 120.64 119.79 2jg4 n GLU 448 Ca -0.01 -0.57 0.06 0.00 -0.02 0.00 0.00 57.16 56.62 2jg4 n GLU 448 Cb 0.35 -1.39 0.29 0.00 -0.02 0.00 0.00 31.44 30.67 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 1.35 1.00 0.00 2.62 -1.51 -1.52 0.12 116.25 118.32 2jg4 h VAL 449 Ca 0.00 -0.31 -0.08 0.00 -1.23 0.00 0.00 66.70 65.08 2jg4 h VAL 449 Cb 0.58 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 2jg4 h VAL 449 CO 0.00 0.17 -0.37 -0.07 -1.23 0.00 0.00 177.57 176.07 2jg4 h LEU 450 N 0.91 0.00 0.00 4.19 4.07 -1.83 -3.35 115.31 119.30 2jg4 h LEU 450 Ca 0.39 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.28 2jg4 h LEU 450 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2jg4 h LEU 450 CO -0.16 0.37 -1.83 0.35 -1.08 0.00 0.00 178.44 176.08 2jg4 n THR 451 N -3.58 0.26 -0.11 0.22 -2.24 0.12 -4.69 114.28 104.27 2jg4 n THR 451 Ca -0.00 -0.45 0.01 0.00 -2.27 0.00 0.00 64.05 61.33 2jg4 n THR 451 Cb 0.49 -0.06 0.29 0.00 -2.10 0.00 0.00 70.33 68.95 2jg4 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jg4 h ALA 452 N 1.33 1.46 -0.01 6.98 0.00 -1.01 0.36 119.26 128.37 2jg4 h ALA 452 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jg4 h ALA 452 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jg4 h ALA 452 CO 0.01 0.44 -0.30 0.39 0.00 0.00 0.00 179.25 179.79 2jg4 n GLU 453 N -4.38 0.92 -0.13 0.00 1.02 -1.26 -4.34 120.64 112.46 2jg4 n GLU 453 Ca 0.05 -0.59 -0.26 0.00 -0.02 0.00 0.00 57.16 56.34 2jg4 n GLU 453 Cb 0.11 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.52 0.00 -3.47 -0.32 4.01 -0.52 -5.03 117.16 111.31 2jg4 n TYR 454 Ca 0.12 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2jg4 n TYR 454 Cb 0.37 -0.90 -0.06 0.00 -0.31 0.00 0.00 39.34 38.44 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 -7.59 4.40 0.05 7.72 1.43 -0.00 -4.79 118.68 119.90 2jg4 s LEU 455 Ca -0.37 0.86 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2jg4 s LEU 455 Cb 0.13 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.73 2jg4 s LEU 455 CO 0.48 0.22 0.33 -0.76 0.23 0.00 0.00 176.35 176.85 2jg4 s LEU 456 N -0.49 4.36 0.00 1.79 1.43 -1.26 -4.85 118.68 119.66 2jg4 s LEU 456 Ca 0.23 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 2jg4 s LEU 456 Cb -0.16 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.22 2jg4 s LEU 456 CO 0.11 0.21 0.00 1.21 0.23 0.00 0.00 176.35 178.11 2jg4 n GLU 457 N 0.95 0.00 -4.49 1.70 4.07 0.18 -4.96 120.64 118.09 2jg4 n GLU 457 Ca -0.09 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.71 2jg4 n GLU 457 Cb 0.52 -0.05 -0.12 0.00 -0.06 0.00 0.00 31.44 31.73 2jg4 n GLU 457 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2jg4 s GLU 458 N -0.28 1.93 -0.15 5.31 1.03 -1.23 -5.03 118.70 120.27 2jg4 s GLU 458 Ca 0.00 -1.08 -0.28 0.00 0.03 0.00 0.00 54.97 53.64 2jg4 s GLU 458 Cb 0.00 -2.15 -0.01 0.00 -0.80 0.00 0.00 34.13 31.17 2jg4 s GLU 458 CO 0.00 0.51 0.98 0.12 -1.33 0.00 0.00 175.26 175.54 2jg4 s PHE 459 N -1.03 3.45 -0.60 4.83 5.36 -1.26 -4.24 117.98 124.49 2jg4 s PHE 459 Ca 0.16 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 57.66 2jg4 s PHE 459 Cb -0.11 -3.17 0.15 0.00 -0.34 0.00 0.00 43.02 39.55 2jg4 s PHE 459 CO 0.07 -0.30 0.37 1.03 -1.46 0.00 0.00 175.22 174.93 2jg4 s ARG 460 N 2.37 2.16 0.34 10.12 1.81 -1.26 -4.95 118.95 129.54 2jg4 s ARG 460 Ca 0.45 -2.93 0.04 0.00 -1.72 0.00 0.00 55.73 51.57 2jg4 s ARG 460 Cb -0.17 -3.30 0.65 0.00 -0.45 0.00 0.00 34.95 31.68 2jg4 s ARG 460 CO 0.13 -1.20 1.95 -1.35 -0.68 0.00 0.00 175.30 174.16 2jg4 h PRO 461 N 5.99 0.84 -0.71 3.54 0.11 -1.99 -2.48 132.00 137.30 2jg4 h PRO 461 Ca 0.03 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 2jg4 h PRO 461 Cb 0.83 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 2jg4 h PRO 461 CO 0.69 0.56 0.26 0.38 -0.21 0.00 0.00 178.00 179.68 2jg4 h ASP 462 N 0.87 0.98 -0.07 -2.05 3.04 -1.99 -0.46 116.42 116.73 2jg4 h ASP 462 Ca 0.33 -0.15 -0.15 0.00 -3.24 0.00 0.00 57.03 53.82 2jg4 h ASP 462 Cb 0.19 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.22 2jg4 h ASP 462 CO -0.11 0.89 -0.45 -0.07 -2.04 0.00 0.00 179.24 177.45 2jg4 h LEU 463 N 1.03 0.67 -0.18 0.15 3.38 -1.88 -0.75 115.31 117.73 2jg4 h LEU 463 Ca 0.23 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jg4 h LEU 463 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2jg4 h LEU 463 CO -0.02 1.02 0.10 0.40 0.09 0.00 0.00 178.44 180.03 2jg4 h ILE 464 N 0.50 1.10 -0.26 1.22 2.04 -1.07 -0.97 117.51 120.06 2jg4 h ILE 464 Ca 0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2jg4 h ILE 464 Cb 0.98 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2jg4 h ILE 464 CO 0.09 0.10 -0.04 -0.33 0.00 0.00 0.00 178.15 177.97 2jg4 h GLU 465 N 0.18 0.41 -0.77 2.37 5.08 -1.04 -0.16 114.58 120.65 2jg4 h GLU 465 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2jg4 h GLU 465 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jg4 h GLU 465 CO -0.01 0.47 0.34 1.98 -1.00 0.00 0.00 179.01 180.79 2jg4 h MET 466 N 0.39 1.14 0.00 2.33 4.05 -0.46 -1.44 114.93 120.94 2jg4 h MET 466 Ca 0.08 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2jg4 h MET 466 Cb 0.32 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2jg4 h MET 466 CO 0.01 0.90 -0.06 0.28 0.23 0.00 0.00 176.91 178.27 2jg4 h VAL 467 N 1.11 1.63 -0.79 -5.77 2.07 -0.72 -3.28 116.25 110.51 2jg4 h VAL 467 Ca 0.26 -1.94 0.15 0.00 0.82 0.00 0.00 66.70 65.99 2jg4 h VAL 467 Cb 0.17 2.93 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 2jg4 h VAL 467 CO -0.03 0.51 0.52 0.25 0.02 0.00 0.00 177.57 178.84 2jg4 h LEU 468 N -0.75 0.46 -2.35 2.57 5.85 -1.03 0.44 115.31 120.51 2jg4 h LEU 468 Ca -0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2jg4 h LEU 468 Cb 0.87 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2jg4 h LEU 468 CO 0.01 0.24 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.55 2jg4 h ASP 469 N 0.49 0.00 1.47 1.25 3.58 -1.31 -2.08 116.42 119.82 2jg4 h ASP 469 Ca 0.39 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.84 2jg4 h ASP 469 Cb 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2jg4 h ASP 469 CO -0.14 0.02 -0.16 0.11 -2.88 0.00 0.00 179.24 176.18 2jg4 h LYS 470 N 0.00 0.00 -3.58 0.28 1.79 -0.17 -3.40 116.57 111.49 2jg4 h LYS 470 Ca -0.00 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.73 2jg4 h LYS 470 Cb 0.04 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.57 2jg4 h LYS 470 CO 0.00 0.00 2.37 1.28 -1.08 0.00 0.00 179.45 182.02 2jg4 n LEU 471 N -2.46 6.81 -4.25 2.94 4.77 -0.78 -4.83 117.00 119.20 2jg4 n LEU 471 Ca 0.04 -4.52 -0.22 0.00 -0.03 0.00 0.00 56.01 51.28 2jg4 n LEU 471 Cb 0.46 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.91 2jg4 n LEU 471 CO 0.33 1.35 -0.50 -0.13 -1.33 0.00 0.00 177.39 177.11 2jg4 s ARG 472 N 1.08 1.04 0.25 3.23 0.52 -1.26 -5.03 118.95 118.78 2jg4 s ARG 472 Ca 0.42 -1.08 -0.04 0.00 -0.52 0.00 0.00 55.73 54.51 2jg4 s ARG 472 Cb 0.11 -1.21 0.49 0.00 0.52 0.00 0.00 34.95 34.86 2jg4 s ARG 472 CO -0.02 0.28 1.66 -1.35 0.02 0.00 0.00 175.30 175.89 2jg4 h PRO 473 N 4.21 0.20 0.00 3.54 0.11 -1.92 -0.76 132.00 137.39 2jg4 h PRO 473 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2jg4 h PRO 473 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jg4 h PRO 473 CO 0.40 0.13 0.01 1.05 -0.21 0.00 0.00 178.00 179.38 2jg4 h GLU 474 N 0.21 0.00 -0.87 1.05 9.09 -1.97 -2.37 114.58 119.73 2jg4 h GLU 474 Ca 0.43 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 59.30 2jg4 h GLU 474 Cb 0.78 0.00 -0.43 0.00 -1.65 0.00 0.00 28.75 27.45 2jg4 h GLU 474 CO -0.58 0.00 -0.82 0.27 0.05 0.00 0.00 179.01 177.93 2jg4 n ASN 475 N -3.00 4.74 -4.86 3.06 0.23 -0.29 -4.45 115.26 110.68 2jg4 n ASN 475 Ca -0.03 -3.67 -0.29 0.00 -0.53 0.00 0.00 54.58 50.07 2jg4 n ASN 475 Cb 0.08 -0.37 -0.05 0.00 -2.08 0.00 0.00 39.78 37.36 2jg4 n ASN 475 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2jg4 s VAL 476 N -4.71 4.92 -0.05 3.53 0.11 -0.89 -4.22 120.40 119.08 2jg4 s VAL 476 Ca 0.49 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2jg4 s VAL 476 Cb 0.41 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 2jg4 s VAL 476 CO -0.00 0.02 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.52 2jg4 s ARG 477 N -2.78 1.68 -0.10 1.54 0.52 -0.10 -0.19 118.95 119.52 2jg4 s ARG 477 Ca 0.32 -0.50 0.03 0.00 -0.52 0.00 0.00 55.73 55.06 2jg4 s ARG 477 Cb -0.12 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 33.93 2jg4 s ARG 477 CO 0.25 0.14 -0.21 0.08 0.02 0.00 0.00 175.30 175.59 2jg4 s VAL 478 N 0.30 1.86 -0.07 3.52 1.01 -0.19 -1.15 120.40 125.67 2jg4 s VAL 478 Ca -0.08 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2jg4 s VAL 478 Cb -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2jg4 s VAL 478 CO 0.03 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.47 2jg4 s ALA 479 N 0.48 1.59 -0.12 5.51 0.00 -0.21 -0.33 121.76 128.68 2jg4 s ALA 479 Ca -0.16 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 2jg4 s ALA 479 Cb -0.17 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2jg4 s ALA 479 CO 0.06 0.21 -0.12 0.42 0.00 0.00 0.00 175.76 176.34 2jg4 s ILE 480 N 0.39 3.20 -0.19 0.00 1.01 0.24 -0.53 121.20 125.33 2jg4 s ILE 480 Ca -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2jg4 s ILE 480 Cb -0.15 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2jg4 s ILE 480 CO 0.05 0.53 -0.12 -0.69 0.00 0.00 0.00 174.94 174.70 2jg4 s VAL 481 N 0.21 2.75 -0.23 2.92 1.01 0.25 -0.43 120.40 126.88 2jg4 s VAL 481 Ca -0.07 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 2jg4 s VAL 481 Cb -0.15 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.16 2jg4 s VAL 481 CO 0.05 0.49 1.04 -0.55 0.00 0.00 0.00 175.10 176.12 2jg4 s SER 482 N 1.21 -0.40 0.42 3.32 0.15 -0.69 -1.45 113.70 116.27 2jg4 s SER 482 Ca 0.02 0.63 0.21 0.00 0.70 0.00 0.00 55.95 57.52 2jg4 s SER 482 Cb -0.14 0.60 0.91 0.00 -1.71 0.00 0.00 66.02 65.67 2jg4 s SER 482 CO -0.05 -0.22 1.84 0.11 1.20 0.00 0.00 173.24 176.11 2jg4 h LYS 483 N 3.45 0.00 0.00 5.44 1.79 -1.85 -3.04 116.57 122.37 2jg4 h LYS 483 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2jg4 h LYS 483 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2jg4 h LYS 483 CO 0.20 0.28 0.01 -1.13 -1.08 0.00 0.00 179.45 177.73 2jg4 n SER 484 N -3.56 0.00 -0.58 0.86 3.41 -1.26 -0.15 113.62 112.34 2jg4 n SER 484 Ca -0.01 0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 2jg4 n SER 484 Cb 0.42 -0.18 0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2jg4 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2jg4 n PHE 485 N -1.17 0.00 -1.66 7.33 0.99 -1.15 -4.88 117.46 116.93 2jg4 n PHE 485 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.45 56.95 2jg4 n PHE 485 Cb 0.01 -0.01 -0.05 0.00 -1.00 0.00 0.00 39.48 38.43 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 0.25 1.82 -0.97 -1.08 4.07 0.79 0.08 120.64 125.61 2jg4 n GLU 486 Ca 0.11 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 2jg4 n GLU 486 Cb 0.48 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 29.44 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 3.67 0.46 0.43 8.31 0.00 -1.26 -4.87 105.19 111.93 2jg4 n GLY 487 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.94 2.61 -4.18 1.61 4.01 0.11 -5.03 118.16 115.36 2jg4 n LYS 488 Ca 0.00 -1.79 -0.30 0.00 -0.51 0.00 0.00 58.31 55.71 2jg4 n LYS 488 Cb 0.10 -1.18 -0.09 0.00 -0.51 0.00 0.00 35.03 33.35 2jg4 n LYS 488 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2jg4 s THR 489 N -0.96 3.67 0.00 -0.18 -4.23 -1.24 -4.89 115.64 107.80 2jg4 s THR 489 Ca 0.15 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2jg4 s THR 489 Cb 0.08 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2jg4 s THR 489 CO 0.11 0.11 0.74 -0.90 -0.54 0.00 0.00 174.62 174.14 2jg4 n ASP 490 N 0.62 1.48 -4.18 3.99 5.68 -0.98 -4.90 116.55 118.25 2jg4 n ASP 490 Ca -0.12 -1.49 -0.17 0.00 -0.50 0.00 0.00 54.79 52.50 2jg4 n ASP 490 Cb 0.52 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.49 0.86 -0.09 0.11 0.52 0.32 -5.01 118.95 115.17 2jg4 s ARG 491 Ca 0.00 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2jg4 s ARG 491 Cb 0.00 -0.78 0.02 0.00 0.52 0.00 0.00 34.95 34.71 2jg4 s ARG 491 CO 0.00 0.16 -0.09 0.99 0.02 0.00 0.00 175.30 176.38 2jg4 s THR 492 N -1.67 1.05 0.08 0.02 2.01 -1.26 -0.82 115.64 115.05 2jg4 s THR 492 Ca 0.01 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 2jg4 s THR 492 Cb -0.08 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.35 2jg4 s THR 492 CO 0.02 0.36 1.15 -0.70 -0.69 0.00 0.00 174.62 174.76 2jg4 s GLU 493 N 1.29 4.48 0.23 4.92 -6.30 -0.43 -4.88 118.70 118.01 2jg4 s GLU 493 Ca -0.03 1.72 -0.06 0.00 -2.50 0.00 0.00 54.97 54.10 2jg4 s GLU 493 Cb -0.14 -3.35 0.22 0.00 0.00 0.00 0.00 34.13 30.87 2jg4 s GLU 493 CO -0.04 -0.16 1.77 1.05 0.02 0.00 0.00 175.26 177.90 2jg4 h GLU 494 N 6.44 1.05 0.00 4.30 4.11 -1.96 0.31 114.58 128.84 2jg4 h GLU 494 Ca -0.42 -0.23 -0.11 0.00 0.07 0.00 0.00 59.36 58.68 2jg4 h GLU 494 Cb 1.21 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2jg4 h GLU 494 CO 0.79 0.91 -0.50 -1.49 0.07 0.00 0.00 179.01 178.78 2jg4 h TRP 495 N 1.00 0.00 0.00 2.06 4.06 -1.99 -3.35 115.95 117.73 2jg4 h TRP 495 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 2jg4 h TRP 495 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 2jg4 h TRP 495 CO 0.02 0.50 -0.67 0.66 -3.56 0.00 0.00 178.44 175.40 2jg4 n TYR 496 N -3.23 0.00 -1.06 0.49 4.02 -1.22 -5.00 117.16 111.16 2jg4 n TYR 496 Ca 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.89 2jg4 n TYR 496 Cb 0.74 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.04 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 1.98 0.54 3.70 2.72 0.00 0.11 -4.94 105.19 109.29 2jg4 n GLY 497 Ca -0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.93 0.31 -2.73 2.61 -1.04 -1.23 -4.61 114.28 104.66 2jg4 n THR 498 Ca -0.02 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 2jg4 n THR 498 Cb 0.07 -2.12 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 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 2.49 4.41 0.31 -2.82 -1.52 -1.26 -1.31 119.66 119.96 2jg4 s GLN 499 Ca 0.81 1.32 -0.15 0.00 -1.95 0.00 0.00 55.36 55.38 2jg4 s GLN 499 Cb -0.48 -3.54 0.02 0.00 -0.22 0.00 0.00 33.01 28.80 2jg4 s GLN 499 CO 0.36 -0.28 0.65 1.52 -0.25 0.00 0.00 175.29 177.29 2jg4 s TYR 500 N 1.91 0.20 0.04 0.91 1.13 0.00 -1.81 117.35 119.73 2jg4 s TYR 500 Ca 0.47 -0.67 0.01 0.00 -1.41 0.00 0.00 57.07 55.47 2jg4 s TYR 500 Cb -0.18 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 2jg4 s TYR 500 CO 0.18 -1.26 -0.06 0.21 -2.51 0.00 0.00 175.55 172.11 2jg4 s LYS 501 N -3.38 0.46 -0.01 -3.49 2.20 -0.15 -0.52 119.74 114.85 2jg4 s LYS 501 Ca 0.18 -0.73 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2jg4 s LYS 501 Cb -0.04 -0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.15 2jg4 s LYS 501 CO 0.10 0.01 -0.09 -1.14 -0.36 0.00 0.00 175.35 173.87 2jg4 s GLN 502 N -1.66 0.72 0.02 4.03 0.74 -1.26 -1.31 119.66 120.94 2jg4 s GLN 502 Ca -0.11 -0.31 -0.13 0.00 0.05 0.00 0.00 55.36 54.86 2jg4 s GLN 502 Cb -0.09 -0.69 0.02 0.00 1.10 0.00 0.00 33.01 33.34 2jg4 s GLN 502 CO -0.01 0.18 0.28 -1.21 -0.55 0.00 0.00 175.29 173.98 2jg4 s GLU 503 N -0.17 0.72 0.28 1.67 2.02 -0.57 -4.99 118.70 117.66 2jg4 s GLU 503 Ca 0.03 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 2jg4 s GLU 503 Cb -0.04 0.31 -0.10 0.00 0.10 0.00 0.00 34.13 34.41 2jg4 s GLU 503 CO -0.00 -0.21 1.15 0.00 0.02 0.00 0.00 175.26 176.21 2jg4 s ALA 504 N -2.05 3.43 0.14 5.21 0.00 -1.26 -0.05 121.76 127.17 2jg4 s ALA 504 Ca -0.09 0.97 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 2jg4 s ALA 504 Cb -0.03 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2jg4 s ALA 504 CO -0.00 -0.28 1.20 0.42 0.00 0.00 0.00 175.76 177.10 2jg4 s ILE 505 N -1.03 3.74 0.55 0.00 1.01 0.12 -4.76 121.20 120.84 2jg4 s ILE 505 Ca 0.46 1.37 -0.20 0.00 0.00 0.00 0.00 60.65 62.28 2jg4 s ILE 505 Cb -0.34 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2jg4 s ILE 505 CO 0.43 0.17 1.24 -2.84 0.00 0.00 0.00 174.94 173.95 2jg4 s PRO 506 N 0.29 3.18 0.34 2.79 0.02 -1.26 -4.86 135.00 135.49 2jg4 s PRO 506 Ca 0.55 1.94 0.04 0.00 0.02 0.00 0.00 61.00 63.55 2jg4 s PRO 506 Cb -0.31 -2.12 0.66 0.00 0.02 0.00 0.00 34.50 32.74 2jg4 s PRO 506 CO 0.33 -1.07 1.95 -0.44 -0.33 0.00 0.00 177.00 177.44 2jg4 h ASP 507 N 1.29 0.76 0.39 2.53 3.32 -1.99 -1.62 116.42 121.10 2jg4 h ASP 507 Ca -0.50 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 2jg4 h ASP 507 Cb 1.29 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 2jg4 h ASP 507 CO 0.57 0.49 -0.44 1.05 -1.72 0.00 0.00 179.24 179.19 2jg4 h GLU 508 N 0.86 0.06 -0.12 3.56 9.09 -1.99 0.29 114.58 126.34 2jg4 h GLU 508 Ca 0.33 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.65 2jg4 h GLU 508 Cb 0.21 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.31 2jg4 h GLU 508 CO -0.11 0.49 -0.19 0.28 0.05 0.00 0.00 179.01 179.53 2jg4 h VAL 509 N 0.05 1.38 0.04 -1.06 2.07 -1.75 -2.10 116.25 114.89 2jg4 h VAL 509 Ca 0.00 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.12 2jg4 h VAL 509 Cb 0.80 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 2jg4 h VAL 509 CO 0.06 0.41 -0.23 0.40 0.02 0.00 0.00 177.57 178.24 2jg4 h ILE 510 N -0.09 0.48 -0.70 4.57 1.08 -0.94 -2.38 117.51 119.54 2jg4 h ILE 510 Ca 0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.55 2jg4 h ILE 510 Cb 0.75 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 2jg4 h ILE 510 CO 0.04 0.00 0.38 0.50 -0.69 0.00 0.00 178.15 178.38 2jg4 h LYS 511 N -0.38 0.67 -0.47 2.37 3.64 -0.44 0.79 116.57 122.74 2jg4 h LYS 511 Ca 0.05 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2jg4 h LYS 511 Cb 0.44 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2jg4 h LYS 511 CO -0.18 0.44 0.23 0.87 -2.27 0.00 0.00 179.45 178.54 2jg4 h LYS 512 N 0.69 0.44 -0.65 1.90 1.57 -1.20 -1.12 116.57 118.21 2jg4 h LYS 512 Ca 0.32 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.04 2jg4 h LYS 512 Cb 0.24 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2jg4 h LYS 512 CO -0.21 0.29 0.26 -1.49 -0.57 0.00 0.00 179.45 177.73 2jg4 h TRP 513 N 0.46 0.99 -0.17 -1.35 6.55 -0.83 -2.21 115.95 119.38 2jg4 h TRP 513 Ca 0.21 -0.08 0.05 0.00 0.95 0.00 0.00 58.89 60.02 2jg4 h TRP 513 Cb 0.12 -0.30 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 2jg4 h TRP 513 CO -0.11 0.78 0.15 1.96 -1.05 0.00 0.00 178.44 180.18 2jg4 h GLN 514 N 0.92 0.00 -0.54 0.49 4.20 -0.21 -2.57 115.11 117.39 2jg4 h GLN 514 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2jg4 h GLN 514 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2jg4 h GLN 514 CO -0.02 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.23 2jg4 n ASN 515 N -4.09 2.89 -4.68 1.46 3.02 -0.48 -4.95 115.26 108.42 2jg4 n ASN 515 Ca 0.01 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.14 2jg4 n ASN 515 Cb 0.28 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.28 3.72 0.00 5.41 0.00 -0.97 -4.99 121.76 123.65 2jg4 s ALA 516 Ca 0.36 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2jg4 s ALA 516 Cb 0.19 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2jg4 s ALA 516 CO 0.24 -1.33 0.00 -0.40 0.00 0.00 0.00 175.76 174.27 2jg4 n ASP 517 N 6.21 1.80 -4.71 0.00 3.85 -1.26 -4.83 116.55 117.61 2jg4 n ASP 517 Ca 0.18 -0.29 -0.42 0.00 -0.71 0.00 0.00 54.79 53.56 2jg4 n ASP 517 Cb 0.39 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.13 2jg4 n ASP 517 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2jg4 s LEU 518 N 0.00 4.37 -0.33 -2.12 1.43 -1.26 -4.76 118.68 116.00 2jg4 s LEU 518 Ca 0.00 1.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.99 2jg4 s LEU 518 Cb 0.00 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.65 2jg4 s LEU 518 CO 0.00 -0.45 0.16 0.21 0.23 0.00 0.00 176.35 176.51 2jg4 s ASN 519 N 1.03 5.55 0.00 2.29 3.84 -1.26 -4.98 114.94 121.41 2jg4 s ASN 519 Ca 0.58 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.90 2jg4 s ASN 519 Cb -0.29 -1.99 0.00 0.00 -0.55 0.00 0.00 41.25 38.42 2jg4 s ASN 519 CO 0.29 -0.27 0.63 0.61 -2.79 0.00 0.00 177.10 175.57 2jg4 n GLY 520 N 4.97 -0.16 0.34 1.21 0.00 -1.26 -1.13 105.19 109.16 2jg4 n GLY 520 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2jg4 n GLY 520 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jg4 n LYS 521 N -1.13 1.06 -3.42 1.61 5.02 -1.26 -4.77 118.16 115.26 2jg4 n LYS 521 Ca 0.00 -0.69 -0.44 0.00 -2.02 0.00 0.00 58.31 55.16 2jg4 n LYS 521 Cb 0.02 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 2jg4 n LYS 521 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2jg4 s PHE 522 N -2.41 3.31 0.13 2.13 2.99 -0.28 -4.54 117.98 119.30 2jg4 s PHE 522 Ca 0.25 -1.45 0.03 0.00 0.00 0.00 0.00 56.93 55.77 2jg4 s PHE 522 Cb 0.19 -3.55 -0.04 0.00 0.00 0.00 0.00 43.02 39.62 2jg4 s PHE 522 CO 0.50 -0.97 0.16 0.15 -0.00 0.00 0.00 175.22 175.06 2jg4 s LYS 523 N 1.52 3.06 0.73 0.44 3.01 -0.70 -4.96 119.74 122.85 2jg4 s LYS 523 Ca 0.04 -0.72 -0.12 0.00 -1.01 0.00 0.00 55.97 54.15 2jg4 s LYS 523 Cb -0.27 -2.77 0.04 0.00 -1.01 0.00 0.00 37.83 33.81 2jg4 s LYS 523 CO 0.02 0.52 1.10 -0.51 0.51 0.00 0.00 175.35 177.00 2jg4 s LEU 524 N -2.90 3.17 0.68 3.17 1.02 -1.26 -4.23 118.68 118.33 2jg4 s LEU 524 Ca 0.32 1.91 -0.16 0.00 0.02 0.00 0.00 54.13 56.22 2jg4 s LEU 524 Cb -0.11 -4.54 0.01 0.00 0.02 0.00 0.00 46.19 41.57 2jg4 s LEU 524 CO 0.25 -1.92 1.18 -2.84 0.02 0.00 0.00 176.35 173.03 2jg4 s PRO 525 N -4.57 2.51 0.39 1.29 0.02 -1.26 -4.93 135.00 128.45 2jg4 s PRO 525 Ca 0.64 1.69 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 2jg4 s PRO 525 Cb -0.19 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 2jg4 s PRO 525 CO 0.50 -1.54 0.62 0.95 -0.33 0.00 0.00 177.00 177.21 2jg4 s THR 526 N -1.97 4.89 0.04 0.99 -4.23 -1.26 -5.01 115.64 109.09 2jg4 s THR 526 Ca 0.73 -0.33 -0.38 0.00 -1.18 0.00 0.00 61.69 60.53 2jg4 s THR 526 Cb -0.27 -3.80 -0.19 0.00 1.34 0.00 0.00 72.50 69.57 2jg4 s THR 526 CO 0.41 -0.59 1.12 1.17 -0.54 0.00 0.00 174.62 176.19 2jg4 n LYS 527 N -1.94 0.33 -2.14 3.99 3.00 -1.26 -4.79 118.16 115.34 2jg4 n LYS 527 Ca -0.03 0.12 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 2jg4 n LYS 527 Cb 0.56 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.93 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 0.08 5.97 0.13 3.14 3.84 -1.26 -4.86 114.94 121.98 2jg4 s ASN 528 Ca 0.88 0.95 0.22 0.00 0.21 0.00 0.00 52.86 55.11 2jg4 s ASN 528 Cb -1.16 -2.53 0.88 0.00 -0.55 0.00 0.00 41.25 37.88 2jg4 s ASN 528 CO 0.54 -1.71 1.68 1.21 -2.79 0.00 0.00 177.10 176.03 2jg4 n GLU 529 N 8.44 0.12 0.00 0.43 4.07 -1.26 -3.18 120.64 129.26 2jg4 n GLU 529 Ca 0.20 0.27 0.13 0.00 -0.06 0.00 0.00 57.16 57.70 2jg4 n GLU 529 Cb 0.48 -1.69 0.29 0.00 -0.06 0.00 0.00 31.44 30.46 2jg4 n GLU 529 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2jg4 n PHE 530 N -1.90 0.00 -1.66 4.31 3.01 -1.26 -4.94 117.46 115.02 2jg4 n PHE 530 Ca 0.04 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.00 2jg4 n PHE 530 Cb 0.26 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.67 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 0.59 0.22 -2.49 4.37 5.41 -1.19 -4.87 119.36 121.40 2jg4 n ILE 531 Ca 0.15 -0.04 -0.37 0.00 1.00 0.00 0.00 62.75 63.50 2jg4 n ILE 531 Cb 0.47 -1.45 -0.03 0.00 -0.71 0.00 0.00 39.64 37.91 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 2.13 4.12 0.00 0.38 0.04 -1.26 -4.94 135.00 135.47 2jg4 s PRO 532 Ca 0.87 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2jg4 s PRO 532 Cb -0.79 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2jg4 s PRO 532 CO 0.48 -0.20 0.00 0.25 0.04 0.00 0.00 177.00 177.57 2jg4 n THR 533 N -0.08 0.00 -3.36 1.26 -2.24 -1.26 -5.01 114.28 103.59 2jg4 n THR 533 Ca 0.05 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 2jg4 n THR 533 Cb 0.49 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 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 -0.68 6.17 -0.02 3.42 3.84 -1.26 -4.89 114.94 121.52 2jg4 s ASN 534 Ca 0.00 -0.80 0.06 0.00 0.21 0.00 0.00 52.86 52.33 2jg4 s ASN 534 Cb 0.00 -2.20 0.15 0.00 -0.55 0.00 0.00 41.25 38.65 2jg4 s ASN 534 CO 0.00 -0.56 1.12 0.49 -2.79 0.00 0.00 177.10 175.36 2jg4 n PHE 535 N 5.46 0.21 -1.68 0.43 3.01 -1.26 -4.44 117.46 119.18 2jg4 n PHE 535 Ca -0.09 -0.56 -0.45 0.00 1.01 0.00 0.00 57.45 57.36 2jg4 n PHE 535 Cb 0.47 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 2jg4 n PHE 535 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2jg4 n GLU 536 N -0.25 2.48 -2.71 -1.08 2.13 -1.26 -4.61 120.64 115.34 2jg4 n GLU 536 Ca 0.06 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.36 2jg4 n GLU 536 Cb 0.38 -2.76 -0.03 0.00 0.27 0.00 0.00 31.44 29.30 2jg4 n GLU 536 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2jg4 s ILE 537 N 2.89 4.41 0.45 6.31 -1.09 -1.26 -4.93 121.20 127.97 2jg4 s ILE 537 Ca 0.85 1.17 -0.25 0.00 -2.23 0.00 0.00 60.65 60.19 2jg4 s ILE 537 Cb -0.58 -4.47 -0.08 0.00 -1.58 0.00 0.00 42.46 35.75 2jg4 s ILE 537 CO 0.42 -0.78 1.36 -0.76 -1.23 0.00 0.00 174.94 173.95 2jg4 s LEU 538 N 3.93 4.10 0.45 2.97 1.43 -1.26 -4.93 118.68 125.37 2jg4 s LEU 538 Ca 0.42 2.77 -0.24 0.00 -1.03 0.00 0.00 54.13 56.06 2jg4 s LEU 538 Cb -0.10 -3.99 -0.08 0.00 0.03 0.00 0.00 46.19 42.06 2jg4 s LEU 538 CO 0.25 -1.11 1.26 -2.84 0.23 0.00 0.00 176.35 174.14 2jg4 s PRO 539 N -2.46 3.77 0.10 1.29 0.02 -1.26 -4.91 135.00 131.55 2jg4 s PRO 539 Ca 0.61 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 63.34 2jg4 s PRO 539 Cb -0.40 -2.56 -0.11 0.00 0.02 0.00 0.00 34.50 31.45 2jg4 s PRO 539 CO 0.51 -0.61 1.83 -0.11 -0.33 0.00 0.00 177.00 178.29 2jg4 n LEU 540 N -0.26 3.88 -4.77 -5.54 7.94 -1.26 -4.94 117.00 112.05 2jg4 n LEU 540 Ca 0.06 0.99 -0.34 0.00 -1.11 0.00 0.00 56.01 55.61 2jg4 n LEU 540 Cb 0.45 -1.51 0.03 0.00 0.53 0.00 0.00 43.42 42.92 2jg4 n LEU 540 CO 0.52 0.10 0.76 -1.61 -1.11 0.00 0.00 177.39 176.06 2jg4 s GLU 541 N 2.83 3.05 0.26 1.96 2.02 -1.26 -4.95 118.70 122.61 2jg4 s GLU 541 Ca 0.83 1.49 -0.01 0.00 0.02 0.00 0.00 54.97 57.30 2jg4 s GLU 541 Cb -0.52 -1.98 0.51 0.00 0.10 0.00 0.00 34.13 32.24 2jg4 s GLU 541 CO 0.39 -1.07 1.79 1.57 0.02 0.00 0.00 175.26 177.96 2jg4 h LYS 542 N 0.55 0.71 -0.93 1.61 2.10 -2.06 -2.43 116.57 116.12 2jg4 h LYS 542 Ca -0.48 -0.04 -0.63 0.00 -2.00 0.00 0.00 60.65 57.50 2jg4 h LYS 542 Cb 1.25 -0.16 -0.31 0.00 -0.90 0.00 0.00 32.23 32.11 2jg4 h LYS 542 CO 0.55 0.47 0.52 -0.85 -2.00 0.00 0.00 179.45 178.15 2jg4 n GLU 543 N -4.79 2.80 -2.38 0.07 -0.00 -1.26 -5.02 120.64 110.07 2jg4 n GLU 543 Ca 0.17 -3.43 -0.41 0.00 -0.00 0.00 0.00 57.16 53.49 2jg4 n GLU 543 Cb 0.39 -2.27 -0.04 0.00 -0.00 0.00 0.00 31.44 29.53 2jg4 n GLU 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2jg4 s ALA 544 N -3.73 3.44 -0.02 -1.84 0.00 -0.92 -5.04 121.76 113.65 2jg4 s ALA 544 Ca 0.61 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.55 2jg4 s ALA 544 Cb 0.49 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 2jg4 s ALA 544 CO 0.01 -0.34 -0.01 0.95 0.00 0.00 0.00 175.76 176.36 2jg4 s THR 545 N -0.46 4.07 0.38 0.00 -4.23 -1.26 -5.02 115.64 109.12 2jg4 s THR 545 Ca 0.50 -0.57 0.24 0.00 -1.18 0.00 0.00 61.69 60.68 2jg4 s THR 545 Cb -0.33 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 70.97 2jg4 s THR 545 CO 0.39 0.43 2.01 1.55 -0.54 0.00 0.00 174.62 178.46 2jg4 h PRO 546 N 4.54 0.00 -5.69 3.99 0.13 -1.96 -3.44 132.00 129.57 2jg4 h PRO 546 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 2jg4 h PRO 546 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 2jg4 h PRO 546 CO 0.56 0.17 -0.64 0.71 -0.23 0.00 0.00 178.00 178.57 2jg4 s TYR 547 N -4.17 2.34 0.26 1.56 2.02 -1.26 -5.04 117.35 113.05 2jg4 s TYR 547 Ca -0.03 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.73 2jg4 s TYR 547 Cb 0.13 -1.49 -0.11 0.00 -0.40 0.00 0.00 41.96 40.09 2jg4 s TYR 547 CO 0.62 0.42 1.53 -2.14 -1.57 0.00 0.00 175.55 174.41 2jg4 s PRO 548 N -3.70 4.19 -0.02 -1.71 0.02 -1.26 -4.80 135.00 127.72 2jg4 s PRO 548 Ca 0.34 2.44 -0.03 0.00 0.02 0.00 0.00 61.00 63.77 2jg4 s PRO 548 Cb 0.06 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.47 2jg4 s PRO 548 CO 0.16 -0.54 0.17 0.00 -0.33 0.00 0.00 177.00 176.47 2jg4 s ALA 549 N 0.10 3.93 -0.63 -1.55 0.00 0.07 -4.80 121.76 118.87 2jg4 s ALA 549 Ca 0.62 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2jg4 s ALA 549 Cb -0.45 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 20.83 2jg4 s ALA 549 CO 0.44 0.74 1.19 -1.17 0.00 0.00 0.00 175.76 176.96 2jg4 s LEU 550 N -1.86 3.44 0.00 0.00 2.96 -1.26 -0.59 118.68 121.36 2jg4 s LEU 550 Ca 0.26 -0.11 0.21 0.00 -0.22 0.00 0.00 54.13 54.27 2jg4 s LEU 550 Cb -0.13 -2.95 -0.10 0.00 0.50 0.00 0.00 46.19 43.52 2jg4 s LEU 550 CO 0.17 -1.56 0.96 2.30 -1.32 0.00 0.00 176.35 176.90 2jg4 n ILE 551 N 6.54 0.00 -3.73 6.68 -5.35 0.80 -4.89 119.36 119.41 2jg4 n ILE 551 Ca 0.06 -0.17 -0.12 0.00 -0.27 0.00 0.00 62.75 62.25 2jg4 n ILE 551 Cb 0.49 1.14 -0.12 0.00 -1.74 0.00 0.00 39.64 39.41 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 -2.60 0.30 -0.41 6.28 2.20 -1.21 -4.97 119.74 119.34 2jg4 s LYS 552 Ca 0.13 0.57 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 2jg4 s LYS 552 Cb 0.16 -0.01 0.17 0.00 -1.51 0.00 0.00 37.83 36.64 2jg4 s LYS 552 CO 0.66 -0.13 0.34 0.34 -0.36 0.00 0.00 175.35 176.21 2jg4 s ASP 553 N 1.00 1.37 0.48 1.43 -1.08 -1.25 -1.03 116.67 117.59 2jg4 s ASP 553 Ca -0.07 -3.05 0.04 0.00 -0.52 0.00 0.00 52.55 48.96 2jg4 s ASP 553 Cb -0.08 -0.40 -0.02 0.00 -1.46 0.00 0.00 42.92 40.96 2jg4 s ASP 553 CO -0.07 -0.17 0.11 0.42 0.52 0.00 0.00 175.17 175.98 2jg4 s THR 554 N 0.08 1.61 0.35 1.71 -4.23 -0.64 -5.02 115.64 109.50 2jg4 s THR 554 Ca 0.33 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2jg4 s THR 554 Cb 0.04 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.55 2jg4 s THR 554 CO -0.20 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.74 2jg4 h ALA 555 N 1.33 1.37 0.14 3.99 0.00 -2.00 -3.04 119.26 121.05 2jg4 h ALA 555 Ca -0.42 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 53.96 2jg4 h ALA 555 Cb 1.29 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2jg4 h ALA 555 CO 0.72 0.43 -1.26 1.98 0.00 0.00 0.00 179.25 181.12 2jg4 h MET 556 N 0.34 0.34 -2.50 0.00 1.85 -1.93 -3.40 114.93 109.63 2jg4 h MET 556 Ca 0.07 -0.56 -0.09 0.00 -0.61 0.00 0.00 59.70 58.51 2jg4 h MET 556 Cb 0.44 0.20 -0.23 0.00 0.43 0.00 0.00 31.60 32.44 2jg4 h MET 556 CO 0.03 1.25 -0.13 -1.54 -0.40 0.00 0.00 176.91 176.12 2jg4 s SER 557 N -7.23 -0.54 -0.26 1.39 1.04 -1.15 -0.33 113.70 106.62 2jg4 s SER 557 Ca -0.05 1.03 -0.08 0.00 0.48 0.00 0.00 55.95 57.33 2jg4 s SER 557 Cb 0.07 1.03 -0.03 0.00 0.10 0.00 0.00 66.02 67.18 2jg4 s SER 557 CO 0.90 -0.18 0.10 -0.54 0.98 0.00 0.00 173.24 174.50 2jg4 s LYS 558 N 0.39 3.73 -0.30 4.02 1.02 0.14 -1.62 119.74 127.11 2jg4 s LYS 558 Ca -0.01 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 2jg4 s LYS 558 Cb -0.04 -3.41 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2jg4 s LYS 558 CO -0.01 -0.19 0.06 -1.17 -0.92 0.00 0.00 175.35 173.12 2jg4 s LEU 559 N 1.65 3.92 -0.09 3.17 2.96 -0.19 -0.87 118.68 129.23 2jg4 s LEU 559 Ca 0.07 -0.93 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 2jg4 s LEU 559 Cb -0.15 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2jg4 s LEU 559 CO 0.05 -0.24 0.34 0.26 -1.32 0.00 0.00 176.35 175.45 2jg4 s TRP 560 N 1.42 3.59 -0.01 5.38 0.52 0.61 -0.14 118.94 130.31 2jg4 s TRP 560 Ca 0.00 0.78 0.01 0.00 0.02 0.00 0.00 56.10 56.91 2jg4 s TRP 560 Cb -0.18 -2.30 -0.00 0.00 -1.15 0.00 0.00 33.47 29.84 2jg4 s TRP 560 CO 0.01 0.44 -0.04 0.12 0.02 0.00 0.00 176.95 177.51 2jg4 s PHE 561 N -0.27 0.37 -0.13 -1.98 5.36 0.24 -0.97 117.98 120.60 2jg4 s PHE 561 Ca 0.20 -0.07 -0.06 0.00 -0.96 0.00 0.00 56.93 56.04 2jg4 s PHE 561 Cb -0.15 -0.26 0.06 0.00 -0.34 0.00 0.00 43.02 42.33 2jg4 s PHE 561 CO 0.08 -0.02 0.30 0.21 -1.46 0.00 0.00 175.22 174.33 2jg4 s LYS 562 N 0.00 0.24 -0.00 10.12 2.20 -0.78 -0.75 119.74 130.77 2jg4 s LYS 562 Ca 0.00 0.66 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 2jg4 s LYS 562 Cb -0.03 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.19 2jg4 s LYS 562 CO -0.00 -0.19 1.24 -1.14 -0.36 0.00 0.00 175.35 174.89 2jg4 s GLN 563 N 1.59 4.37 0.12 4.03 0.74 -1.26 -1.96 119.66 127.29 2jg4 s GLN 563 Ca -0.07 1.76 -0.34 0.00 0.05 0.00 0.00 55.36 56.76 2jg4 s GLN 563 Cb -0.10 -3.48 -0.13 0.00 1.10 0.00 0.00 33.01 30.39 2jg4 s GLN 563 CO -0.10 -0.40 1.66 -3.47 -0.55 0.00 0.00 175.29 172.43 2jg4 n ASP 564 N 4.78 3.29 -0.12 6.67 2.03 0.76 -4.84 116.55 129.12 2jg4 n ASP 564 Ca 0.11 1.06 0.05 0.00 0.52 0.00 0.00 54.79 56.52 2jg4 n ASP 564 Cb 0.46 -1.44 0.07 0.00 -0.72 0.00 0.00 41.12 39.49 2jg4 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2jg4 n ASP 565 N 4.15 1.63 0.00 1.67 3.85 -1.26 -4.78 116.55 121.81 2jg4 n ASP 565 Ca 0.18 -2.44 0.00 0.00 -0.71 0.00 0.00 54.79 51.82 2jg4 n ASP 565 Cb 0.30 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 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 -0.82 0.00 -0.12 0.11 5.02 -1.26 -4.95 118.16 116.13 2jg4 n LYS 566 Ca 0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 2jg4 n LYS 566 Cb 0.54 -0.90 -0.13 0.00 -0.02 0.00 0.00 35.03 34.53 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 -2.58 0.00 -3.63 2.13 3.01 -1.26 -5.01 117.46 110.11 2jg4 n PHE 567 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.24 2jg4 n PHE 567 Cb 0.49 -0.98 0.06 0.00 -0.01 0.00 0.00 39.48 39.05 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 -3.11 -2.33 -4.28 1.38 3.01 -1.26 -5.02 117.46 105.85 2jg4 n PHE 568 Ca -0.42 0.93 -0.30 0.00 1.01 0.00 0.00 57.45 58.68 2jg4 n PHE 568 Cb 1.02 -4.72 -0.10 0.00 -0.01 0.00 0.00 39.48 35.67 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 -6.85 2.93 -1.46 4.37 1.43 -1.26 -4.98 118.68 112.85 2jg4 s LEU 569 Ca 0.27 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 2jg4 s LEU 569 Cb -0.13 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2jg4 s LEU 569 CO 0.77 0.19 2.32 -0.81 0.23 0.00 0.00 176.35 179.05 2jg4 n PRO 570 N 0.80 2.93 -3.94 1.29 -0.04 -1.26 -4.54 135.00 130.24 2jg4 n PRO 570 Ca -0.14 -2.52 -0.10 0.00 -0.04 0.00 0.00 63.50 60.70 2jg4 n PRO 570 Cb 0.52 -3.21 -0.10 0.00 -0.04 0.00 0.00 33.50 30.68 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 3.11 0.46 0.04 0.54 1.02 -1.26 -2.32 119.74 121.33 2jg4 s LYS 571 Ca 0.50 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.84 2jg4 s LYS 571 Cb 0.15 0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 2jg4 s LYS 571 CO -0.08 -0.10 0.03 0.00 -0.92 0.00 0.00 175.35 174.28 2jg4 s ALA 572 N -1.92 0.19 -0.16 5.17 0.00 0.05 -1.49 121.76 123.60 2jg4 s ALA 572 Ca -0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 2jg4 s ALA 572 Cb -0.06 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 2jg4 s ALA 572 CO -0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 175.76 175.28 2jg4 s LEU 574 N 0.78 4.24 -0.11 0.00 1.43 0.46 -1.13 118.68 124.35 2jg4 s LEU 574 Ca -0.05 -1.80 0.01 0.00 -1.03 0.00 0.00 54.13 51.26 2jg4 s LEU 574 Cb -0.15 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2jg4 s LEU 574 CO 0.01 -0.31 -0.14 0.20 0.23 0.00 0.00 176.35 176.34 2jg4 s ASN 575 N 1.07 3.99 -0.05 2.29 0.02 0.29 -0.66 114.94 121.89 2jg4 s ASN 575 Ca 0.02 -0.31 -0.01 0.00 -1.02 0.00 0.00 52.86 51.55 2jg4 s ASN 575 Cb -0.20 -1.44 0.03 0.00 0.02 0.00 0.00 41.25 39.66 2jg4 s ASN 575 CO -0.06 0.20 0.00 -0.36 0.02 0.00 0.00 177.10 176.91 2jg4 s PHE 576 N 0.12 0.46 -0.22 2.20 0.40 0.30 -0.55 117.98 120.68 2jg4 s PHE 576 Ca -0.06 -0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.14 2jg4 s PHE 576 Cb -0.15 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 2jg4 s PHE 576 CO 0.05 -0.22 0.07 -2.00 0.70 0.00 0.00 175.22 173.82 2jg4 s GLU 577 N 1.52 3.84 -0.33 0.44 2.56 0.22 -0.49 118.70 126.46 2jg4 s GLU 577 Ca -0.02 -0.40 -0.09 0.00 0.00 0.00 0.00 54.97 54.46 2jg4 s GLU 577 Cb -0.13 -3.29 0.02 0.00 2.00 0.00 0.00 34.13 32.73 2jg4 s GLU 577 CO -0.03 0.05 0.14 -0.06 -0.56 0.00 0.00 175.26 174.80 2jg4 s PHE 578 N 0.97 3.20 0.00 5.30 0.40 0.72 -0.99 117.98 127.59 2jg4 s PHE 578 Ca 0.04 -0.96 -0.21 0.00 -0.60 0.00 0.00 56.93 55.20 2jg4 s PHE 578 Cb -0.14 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 2jg4 s PHE 578 CO 0.03 -0.60 0.62 -0.06 0.70 0.00 0.00 175.22 175.91 2jg4 s PHE 579 N 1.52 3.69 -0.22 0.36 0.40 0.60 -1.30 117.98 123.03 2jg4 s PHE 579 Ca 0.02 1.24 -0.15 0.00 -0.60 0.00 0.00 56.93 57.44 2jg4 s PHE 579 Cb -0.18 -2.63 0.07 0.00 0.51 0.00 0.00 43.02 40.78 2jg4 s PHE 579 CO 0.05 0.35 0.56 0.45 0.70 0.00 0.00 175.22 177.32 2jg4 s SER 580 N -0.20 -0.71 0.51 1.36 0.15 -0.15 -2.65 113.70 112.02 2jg4 s SER 580 Ca 0.32 1.20 0.34 0.00 0.70 0.00 0.00 55.95 58.52 2jg4 s SER 580 Cb -0.19 1.11 1.72 0.00 -1.71 0.00 0.00 66.02 66.96 2jg4 s SER 580 CO 0.18 -0.21 2.04 1.55 1.20 0.00 0.00 173.24 177.99 2jg4 h PRO 581 N 6.60 0.00 -0.02 5.44 0.13 -1.88 -2.97 132.00 139.30 2jg4 h PRO 581 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2jg4 h PRO 581 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2jg4 h PRO 581 CO 0.20 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.16 2jg4 n PHE 582 N -2.78 0.03 0.14 1.56 3.01 -1.26 -2.60 117.46 115.55 2jg4 n PHE 582 Ca -0.01 -0.01 0.06 0.00 1.01 0.00 0.00 57.45 58.49 2jg4 n PHE 582 Cb 0.14 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.64 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 3.91 0.73 0.00 4.37 0.00 -1.81 -3.40 119.26 123.05 2jg4 h ALA 583 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2jg4 h ALA 583 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jg4 h ALA 583 CO 0.00 0.44 0.00 0.98 0.00 0.00 0.00 179.25 180.67 2jg4 n TYR 584 N -3.06 0.00 -0.30 0.00 4.19 -1.23 -3.32 117.16 113.44 2jg4 n TYR 584 Ca 0.00 0.00 0.23 0.00 3.31 0.00 0.00 57.90 61.44 2jg4 n TYR 584 Cb 0.68 0.02 0.53 0.00 0.49 0.00 0.00 39.34 41.06 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 2.52 0.56 -3.32 2.97 3.04 -1.71 -3.43 116.25 116.89 2jg4 h VAL 585 Ca 0.00 -0.13 -0.03 0.00 -1.01 0.00 0.00 66.70 65.53 2jg4 h VAL 585 Cb 0.88 0.16 -0.11 0.00 -2.01 0.00 0.00 31.29 30.21 2jg4 h VAL 585 CO 0.00 0.07 0.01 1.51 -1.01 0.00 0.00 177.57 178.15 2jg4 s ASP 586 N -5.37 -0.27 0.24 3.17 1.47 -1.26 -5.04 116.67 109.61 2jg4 s ASP 586 Ca -0.08 -0.41 -0.14 0.00 1.18 0.00 0.00 52.55 53.10 2jg4 s ASP 586 Cb 0.24 0.55 0.31 0.00 -0.34 0.00 0.00 42.92 43.69 2jg4 s ASP 586 CO 0.79 -0.99 1.56 -0.65 0.68 0.00 0.00 175.17 176.56 2jg4 h PRO 587 N 2.23 -0.01 -0.78 2.11 0.11 -1.92 -0.15 132.00 133.59 2jg4 h PRO 587 Ca -0.31 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.89 2jg4 h PRO 587 Cb 1.26 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.31 2jg4 h PRO 587 CO 0.40 -0.01 0.43 1.25 -0.21 0.00 0.00 178.00 179.86 2jg4 h LEU 588 N -0.01 0.61 -0.51 2.35 5.85 -1.91 0.33 115.31 122.01 2jg4 h LEU 588 Ca 0.39 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 2jg4 h LEU 588 Cb 0.64 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jg4 h LEU 588 CO -0.96 0.35 -0.71 0.45 -0.34 0.00 0.00 178.44 177.23 2jg4 h HIS 589 N 0.73 0.28 0.20 1.25 3.86 -1.42 -1.49 115.15 118.57 2jg4 h HIS 589 Ca 0.37 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2jg4 h HIS 589 Cb 0.34 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2jg4 h HIS 589 CO -0.07 0.85 -0.10 0.00 0.86 0.00 0.00 177.93 179.46 2jg4 h ASN 591 N -0.28 0.81 -0.03 0.00 2.35 -0.66 -1.06 115.58 116.71 2jg4 h ASN 591 Ca -0.03 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 2jg4 h ASN 591 Cb 0.21 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2jg4 h ASN 591 CO 0.04 0.34 -0.36 0.24 -1.65 0.00 0.00 177.43 176.05 2jg4 h MET 592 N 0.82 0.29 -0.59 0.81 2.86 -1.10 -0.60 114.93 117.42 2jg4 h MET 592 Ca 0.54 -0.27 0.12 0.00 -2.06 0.00 0.00 59.70 58.03 2jg4 h MET 592 Cb 0.77 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.39 2jg4 h MET 592 CO -0.33 0.96 -0.15 0.00 1.06 0.00 0.00 176.91 178.45 2jg4 h ALA 593 N 0.34 0.39 0.79 6.32 0.00 -0.64 0.48 119.26 126.93 2jg4 h ALA 593 Ca -0.04 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2jg4 h ALA 593 Cb 1.06 0.45 0.01 0.00 0.00 0.00 0.00 17.79 19.31 2jg4 h ALA 593 CO 0.07 -0.43 -0.40 -0.92 0.00 0.00 0.00 179.25 177.57 2jg4 h TYR 594 N -0.00 -1.03 -0.69 0.00 3.20 -1.12 -2.52 116.97 114.80 2jg4 h TYR 594 Ca 0.28 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.20 2jg4 h TYR 594 Cb 0.43 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.99 2jg4 h TYR 594 CO -0.49 -0.63 0.38 -0.07 -1.64 0.00 0.00 178.16 175.72 2jg4 h LEU 595 N -1.08 0.56 -0.03 2.82 4.07 -0.64 -0.27 115.31 120.74 2jg4 h LEU 595 Ca -0.11 0.03 0.03 0.00 0.08 0.00 0.00 57.88 57.92 2jg4 h LEU 595 Cb 0.84 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.46 2jg4 h LEU 595 CO 0.17 0.36 -0.20 0.22 -1.08 0.00 0.00 178.44 177.90 2jg4 h TYR 596 N 0.70 -0.54 -0.15 1.13 3.20 -0.04 0.67 116.97 121.94 2jg4 h TYR 596 Ca 0.32 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.11 2jg4 h TYR 596 Cb 0.22 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2jg4 h TYR 596 CO -0.08 -0.29 -0.31 -0.07 -1.64 0.00 0.00 178.16 175.77 2jg4 h LEU 597 N -0.31 0.30 -0.53 2.82 4.07 -0.97 -1.04 115.31 119.64 2jg4 h LEU 597 Ca 0.07 -0.10 -0.13 0.00 0.08 0.00 0.00 57.88 57.79 2jg4 h LEU 597 Cb 0.40 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 2jg4 h LEU 597 CO -0.21 0.60 -0.24 -0.08 -1.08 0.00 0.00 178.44 177.43 2jg4 h GLU 598 N 0.26 0.93 -0.07 1.13 4.57 -0.72 -1.40 114.58 119.28 2jg4 h GLU 598 Ca 0.03 -0.41 -0.19 0.00 -1.18 0.00 0.00 59.36 57.62 2jg4 h GLU 598 Cb 0.68 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2jg4 h GLU 598 CO 0.05 1.07 -0.76 -0.07 -1.18 0.00 0.00 179.01 178.11 2jg4 h LEU 599 N 0.80 0.51 0.22 1.64 3.38 -0.41 -1.56 115.31 119.89 2jg4 h LEU 599 Ca 0.10 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 2jg4 h LEU 599 Cb 0.81 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jg4 h LEU 599 CO 0.07 1.10 -0.11 0.25 0.09 0.00 0.00 178.44 179.84 2jg4 h LEU 600 N 0.28 -0.25 -0.41 1.67 5.85 -1.13 -0.76 115.31 120.56 2jg4 h LEU 600 Ca -0.04 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.63 2jg4 h LEU 600 Cb 1.35 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 2jg4 h LEU 600 CO 0.13 -0.03 0.06 0.11 -0.34 0.00 0.00 178.44 178.38 2jg4 h LYS 601 N -0.48 0.18 -0.86 1.25 1.57 -1.24 -0.04 116.57 116.96 2jg4 h LYS 601 Ca -0.03 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2jg4 h LYS 601 Cb 0.36 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 2jg4 h LYS 601 CO 0.05 0.12 0.53 0.22 -0.57 0.00 0.00 179.45 179.80 2jg4 h ASP 602 N 0.19 0.83 0.65 0.86 1.82 -1.21 0.08 116.42 119.64 2jg4 h ASP 602 Ca 0.20 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.73 2jg4 h ASP 602 Cb 0.25 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.09 2jg4 h ASP 602 CO -0.28 0.53 -0.58 0.77 -1.61 0.00 0.00 179.24 178.07 2jg4 h SER 603 N 0.96 0.00 1.51 2.28 4.64 -0.34 -3.09 113.55 119.51 2jg4 h SER 603 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2jg4 h SER 603 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 2jg4 h SER 603 CO -0.18 0.58 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.20 2jg4 h LEU 604 N 0.00 0.00 -0.52 5.97 3.38 -0.30 -3.40 115.31 120.43 2jg4 h LEU 604 Ca -0.01 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2jg4 h LEU 604 Cb 1.06 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 2jg4 h LEU 604 CO 0.08 0.01 -0.24 -1.13 0.09 0.00 0.00 178.44 177.25 2jg4 h ASN 605 N 0.00 -0.82 -0.46 -0.43 -0.73 -0.92 0.88 115.58 113.11 2jg4 h ASN 605 Ca 0.00 0.19 0.06 0.00 1.87 0.00 0.00 56.30 58.42 2jg4 h ASN 605 Cb 0.80 0.45 -0.05 0.00 0.27 0.00 0.00 38.32 39.79 2jg4 h ASN 605 CO 0.00 -0.26 0.15 -0.33 -0.37 0.00 0.00 177.43 176.63 2jg4 h GLU 606 N -0.11 0.31 -0.70 6.67 5.08 -1.78 -0.55 114.58 123.50 2jg4 h GLU 606 Ca 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2jg4 h GLU 606 Cb 0.49 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2jg4 h GLU 606 CO -0.59 0.21 0.18 -0.92 -1.00 0.00 0.00 179.01 176.88 2jg4 h TYR 607 N 0.32 1.16 0.00 4.33 3.20 -1.62 -3.25 116.97 121.11 2jg4 h TYR 607 Ca 0.22 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2jg4 h TYR 607 Cb 0.22 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2jg4 h TYR 607 CO -0.16 0.93 -0.19 0.00 -1.64 0.00 0.00 178.16 177.10 2jg4 h ALA 608 N 1.13 0.90 -0.15 1.82 0.00 -0.16 -3.34 119.26 119.46 2jg4 h ALA 608 Ca 0.22 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2jg4 h ALA 608 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jg4 h ALA 608 CO 0.00 0.00 0.01 -0.92 0.00 0.00 0.00 179.25 178.34 2jg4 h TYR 609 N 0.00 0.02 -0.48 0.00 3.20 -1.16 -1.11 116.97 117.45 2jg4 h TYR 609 Ca 0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 2jg4 h TYR 609 Cb 0.95 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 2jg4 h TYR 609 CO 0.00 -0.00 0.18 0.00 -1.64 0.00 0.00 178.16 176.70 2jg4 h ALA 610 N 1.12 0.59 -0.69 1.82 0.00 -1.75 -0.84 119.26 119.50 2jg4 h ALA 610 Ca 0.07 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2jg4 h ALA 610 Cb 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2jg4 h ALA 610 CO -0.11 -0.20 0.40 0.00 0.00 0.00 0.00 179.25 179.34 2jg4 h ALA 611 N 1.31 0.93 -0.44 0.00 0.00 -1.60 -1.30 119.26 118.15 2jg4 h ALA 611 Ca 0.22 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2jg4 h ALA 611 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jg4 h ALA 611 CO -0.22 0.09 -0.28 1.49 0.00 0.00 0.00 179.25 180.34 2jg4 h GLU 612 N 0.73 0.97 -0.32 0.00 4.81 -0.42 -0.40 114.58 119.95 2jg4 h GLU 612 Ca 0.31 -0.45 0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2jg4 h GLU 612 Cb 0.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2jg4 h GLU 612 CO -0.18 1.12 0.25 -0.07 -0.73 0.00 0.00 179.01 179.40 2jg4 h LEU 613 N 0.81 0.00 -3.09 1.64 3.38 -0.77 -1.69 115.31 115.59 2jg4 h LEU 613 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2jg4 h LEU 613 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2jg4 h LEU 613 CO 0.08 0.00 0.12 0.00 0.09 0.00 0.00 178.44 178.72 2jg4 n ALA 614 N -2.53 3.87 -1.31 1.53 0.00 -0.30 -4.90 120.51 116.86 2jg4 n ALA 614 Ca 0.05 -1.63 -0.08 0.00 0.00 0.00 0.00 53.44 51.77 2jg4 n ALA 614 Cb 0.42 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 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 0.19 0.94 2.97 0.00 0.00 -0.64 -4.58 105.19 104.09 2jg4 n GLY 615 Ca 0.27 -0.66 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.92 2.88 0.28 0.99 0.20 -0.38 -2.47 118.68 118.26 2jg4 s LEU 616 Ca 0.00 -1.28 0.03 0.00 0.69 0.00 0.00 54.13 53.57 2jg4 s LEU 616 Cb 0.00 -1.29 -0.06 0.00 -0.43 0.00 0.00 46.19 44.41 2jg4 s LEU 616 CO 0.00 -0.23 0.05 -0.94 -0.29 0.00 0.00 176.35 174.94 2jg4 s SER 617 N 1.30 1.83 0.05 3.68 1.04 0.29 -2.27 113.70 119.63 2jg4 s SER 617 Ca -0.06 -1.34 -0.03 0.00 0.48 0.00 0.00 55.95 55.01 2jg4 s SER 617 Cb -0.19 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 2jg4 s SER 617 CO -0.06 -0.62 0.02 -0.72 0.98 0.00 0.00 173.24 172.84 2jg4 s TYR 618 N -3.48 0.39 -0.06 5.02 -0.85 -1.26 -0.57 117.35 116.53 2jg4 s TYR 618 Ca 0.35 -0.86 0.02 0.00 -0.52 0.00 0.00 57.07 56.05 2jg4 s TYR 618 Cb 0.08 -0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.15 2jg4 s TYR 618 CO 0.13 -0.39 -0.10 0.34 -1.52 0.00 0.00 175.55 174.01 2jg4 s ASP 619 N -2.66 1.62 -0.12 -0.18 2.15 0.42 -4.99 116.67 112.91 2jg4 s ASP 619 Ca 0.03 -0.26 -0.04 0.00 0.43 0.00 0.00 52.55 52.71 2jg4 s ASP 619 Cb 0.05 -0.74 0.06 0.00 -0.30 0.00 0.00 42.92 41.98 2jg4 s ASP 619 CO -0.09 0.01 0.16 -0.22 -0.17 0.00 0.00 175.17 174.86 2jg4 s LEU 620 N 0.78 -0.03 0.07 -1.34 2.96 -1.26 -0.52 118.68 119.35 2jg4 s LEU 620 Ca -0.13 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.74 2jg4 s LEU 620 Cb -0.15 0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.78 2jg4 s LEU 620 CO 0.02 -0.28 0.28 0.00 -1.32 0.00 0.00 176.35 175.06 2jg4 s GLN 621 N 2.28 0.86 0.36 1.98 -2.07 -0.60 -4.91 119.66 117.57 2jg4 s GLN 621 Ca 0.04 -0.68 -0.25 0.00 -1.82 0.00 0.00 55.36 52.65 2jg4 s GLN 621 Cb -0.13 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.06 2jg4 s GLN 621 CO -0.08 -0.29 1.01 0.54 -1.32 0.00 0.00 175.29 175.16 2jg4 s ASN 622 N -2.43 7.01 0.52 12.60 6.03 -1.26 0.43 114.94 137.83 2jg4 s ASN 622 Ca -0.01 1.97 0.01 0.00 -1.03 0.00 0.00 52.86 53.80 2jg4 s ASN 622 Cb 0.01 -2.58 -0.01 0.00 -3.03 0.00 0.00 41.25 35.64 2jg4 s ASN 622 CO -0.07 -0.31 0.00 0.42 -2.03 0.00 0.00 177.10 175.11 2jg4 s THR 623 N -1.63 1.11 -1.26 0.54 -4.23 0.16 -4.82 115.64 105.52 2jg4 s THR 623 Ca 0.54 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.26 2jg4 s THR 623 Cb -0.21 -2.11 0.29 0.00 1.34 0.00 0.00 72.50 71.81 2jg4 s THR 623 CO 0.27 0.00 1.67 2.30 -0.54 0.00 0.00 174.62 178.31 2jg4 n ILE 624 N -1.28 0.44 0.06 2.99 -5.35 -1.26 -3.22 119.36 111.74 2jg4 n ILE 624 Ca -0.20 0.11 0.01 0.00 -0.27 0.00 0.00 62.75 62.40 2jg4 n ILE 624 Cb 0.67 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 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 -1.37 0.00 0.00 4.28 4.02 -1.26 -4.55 117.16 118.28 2jg4 n TYR 625 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 2jg4 n TYR 625 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.52 2jg4 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jg4 n GLY 626 N 0.44 -0.22 3.07 2.72 0.00 -1.20 -0.98 105.19 109.03 2jg4 n GLY 626 Ca 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 0.71 -0.09 1.61 -1.94 -0.42 0.39 119.30 119.56 2jg4 s MET 627 Ca 0.00 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 2jg4 s MET 627 Cb 0.00 -0.65 -0.02 0.00 2.01 0.00 0.00 34.83 36.17 2jg4 s MET 627 CO 0.00 0.16 -0.14 -0.47 -0.01 0.00 0.00 175.02 174.56 2jg4 s TYR 628 N -0.76 2.76 -0.02 -0.03 5.04 0.17 -0.20 117.35 124.31 2jg4 s TYR 628 Ca -0.01 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.21 2jg4 s TYR 628 Cb -0.07 -1.75 0.01 0.00 0.35 0.00 0.00 41.96 40.50 2jg4 s TYR 628 CO 0.01 -0.03 -0.06 -1.17 -1.34 0.00 0.00 175.55 172.95 2jg4 s LEU 629 N -0.14 1.74 -0.06 6.97 1.98 0.35 -1.55 118.68 127.98 2jg4 s LEU 629 Ca -0.01 -0.14 -0.03 0.00 -2.89 0.00 0.00 54.13 51.07 2jg4 s LEU 629 Cb -0.14 -0.42 0.04 0.00 0.66 0.00 0.00 46.19 46.33 2jg4 s LEU 629 CO 0.03 0.03 0.09 -0.55 -1.89 0.00 0.00 176.35 174.07 2jg4 s SER 630 N 0.26 1.07 -0.22 3.68 0.15 0.32 -0.54 113.70 118.43 2jg4 s SER 630 Ca -0.03 0.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 2jg4 s SER 630 Cb -0.08 -0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2jg4 s SER 630 CO 0.00 -0.25 0.01 -0.69 1.20 0.00 0.00 173.24 173.51 2jg4 s VAL 631 N 2.21 3.94 0.16 4.45 1.01 0.16 -0.44 120.40 131.89 2jg4 s VAL 631 Ca 0.04 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2jg4 s VAL 631 Cb -0.12 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2jg4 s VAL 631 CO -0.04 0.41 -0.19 -0.54 0.00 0.00 0.00 175.10 174.74 2jg4 s LYS 632 N 1.23 1.28 0.00 2.72 1.02 0.26 -0.40 119.74 125.84 2jg4 s LYS 632 Ca 0.03 -1.39 0.00 0.00 0.02 0.00 0.00 55.97 54.63 2jg4 s LYS 632 Cb -0.15 -1.37 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 2jg4 s LYS 632 CO 0.01 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2jg4 n GLY 633 N 0.36 0.50 3.72 -3.33 0.00 -1.13 -0.54 105.19 104.77 2jg4 n GLY 633 Ca -0.14 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 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 0.00 2.86 0.24 1.61 2.02 -1.03 -0.77 117.35 122.27 2jg4 s TYR 634 Ca 0.00 0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 57.00 2jg4 s TYR 634 Cb 0.00 -4.12 0.25 0.00 -0.40 0.00 0.00 41.96 37.69 2jg4 s TYR 634 CO 0.00 -4.28 1.73 -2.95 -1.57 0.00 0.00 175.55 168.48 2jg4 h ASN 635 N 6.96 0.86 -0.23 2.29 -1.07 -1.74 -3.36 115.58 119.30 2jg4 h ASN 635 Ca -0.43 -0.21 0.02 0.00 0.07 0.00 0.00 56.30 55.75 2jg4 h ASN 635 Cb 1.20 -0.23 -0.03 0.00 -2.07 0.00 0.00 38.32 37.19 2jg4 h ASN 635 CO 0.95 0.91 -0.14 -0.67 0.07 0.00 0.00 177.43 178.56 2jg4 n ASP 636 N -4.21 -0.24 -1.14 6.14 4.64 -1.26 -1.36 116.55 119.12 2jg4 n ASP 636 Ca 0.03 0.81 0.10 0.00 -1.38 0.00 0.00 54.79 54.35 2jg4 n ASP 636 Cb 0.30 -0.25 0.27 0.00 -1.04 0.00 0.00 41.12 40.40 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 -3.42 2.43 -0.07 -0.67 5.02 -1.26 -4.49 118.16 115.71 2jg4 n LYS 637 Ca 0.00 -2.21 -0.07 0.00 -2.02 0.00 0.00 58.31 54.01 2jg4 n LYS 637 Cb 0.06 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 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 3.59 0.09 -0.79 1.97 4.20 -1.36 -1.85 115.11 120.97 2jg4 h GLN 638 Ca 0.00 -0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.89 2jg4 h GLN 638 Cb 0.83 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 2jg4 h GLN 638 CO 0.00 0.06 0.54 -1.35 -0.67 0.00 0.00 178.83 177.41 2jg4 h PRO 639 N 0.10 0.30 -0.12 1.46 0.11 -1.79 -1.01 132.00 131.05 2jg4 h PRO 639 Ca 0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 2jg4 h PRO 639 Cb 0.17 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2jg4 h PRO 639 CO -0.21 0.20 -0.07 0.82 -0.21 0.00 0.00 178.00 178.52 2jg4 h ILE 640 N 0.31 1.33 -0.18 4.15 2.04 -1.66 -0.93 117.51 122.57 2jg4 h ILE 640 Ca 0.39 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2jg4 h ILE 640 Cb 1.08 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2jg4 h ILE 640 CO -0.11 0.33 0.01 0.25 0.00 0.00 0.00 178.15 178.63 2jg4 h LEU 641 N -0.11 0.29 -0.51 1.44 5.85 -1.38 -2.31 115.31 118.59 2jg4 h LEU 641 Ca 0.02 -0.29 0.10 0.00 0.84 0.00 0.00 57.88 58.56 2jg4 h LEU 641 Cb 0.55 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 2jg4 h LEU 641 CO 0.02 0.51 -0.06 0.25 -0.34 0.00 0.00 178.44 178.81 2jg4 h LEU 642 N 0.07 -0.35 -0.73 2.25 6.46 -1.18 -1.24 115.31 120.60 2jg4 h LEU 642 Ca 0.05 0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2jg4 h LEU 642 Cb 0.35 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 2jg4 h LEU 642 CO 0.01 -0.13 0.44 0.50 -0.62 0.00 0.00 178.44 178.64 2jg4 h LYS 643 N 0.06 0.99 -0.81 1.25 3.64 -1.10 -2.07 116.57 118.53 2jg4 h LYS 643 Ca 0.26 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2jg4 h LYS 643 Cb 0.39 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 2jg4 h LYS 643 CO -0.48 0.70 0.43 -0.22 -2.27 0.00 0.00 179.45 177.61 2jg4 h LYS 644 N 1.00 1.14 0.42 1.90 1.63 -0.70 0.66 116.57 122.61 2jg4 h LYS 644 Ca 0.26 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2jg4 h LYS 644 Cb -0.03 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 2jg4 h LYS 644 CO -0.05 0.86 -0.20 0.82 -3.45 0.00 0.00 179.45 177.43 2jg4 h ILE 645 N 1.13 0.57 -0.58 2.00 2.04 -0.89 0.42 117.51 122.21 2jg4 h ILE 645 Ca 0.28 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2jg4 h ILE 645 Cb 0.06 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2jg4 h ILE 645 CO -0.04 0.06 0.38 0.40 0.00 0.00 0.00 178.15 178.95 2jg4 h ILE 646 N -0.76 1.14 -0.66 -0.67 1.08 -1.31 0.16 117.51 116.49 2jg4 h ILE 646 Ca -0.06 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2jg4 h ILE 646 Cb 0.53 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 2jg4 h ILE 646 CO 0.09 0.14 0.42 -0.08 -0.69 0.00 0.00 178.15 178.04 2jg4 h GLU 647 N 0.78 0.82 -0.15 2.37 4.81 -0.76 -2.14 114.58 120.30 2jg4 h GLU 647 Ca 0.21 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 2jg4 h GLU 647 Cb -0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2jg4 h GLU 647 CO -0.05 0.54 -0.53 0.87 -0.73 0.00 0.00 179.01 179.11 2jg4 h LYS 648 N 0.84 0.44 0.00 1.92 1.79 0.70 -2.96 116.57 119.30 2jg4 h LYS 648 Ca 0.25 -0.27 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 2jg4 h LYS 648 Cb -0.04 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2jg4 h LYS 648 CO -0.08 0.86 -0.34 0.00 -1.08 0.00 0.00 179.45 178.82 2jg4 h MET 649 N 0.34 0.00 -0.01 3.15 -0.00 -0.40 -2.31 114.93 115.71 2jg4 h MET 649 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2jg4 h MET 649 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.65 2jg4 h MET 649 CO 0.09 0.34 -0.27 0.00 -0.00 0.00 0.00 176.91 177.07 2jg4 n ALA 650 N -2.25 3.10 -1.45 -3.00 0.00 -0.83 -4.05 120.51 112.02 2jg4 n ALA 650 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.07 2jg4 n ALA 650 Cb 0.52 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.71 0.45 -1.89 0.00 -2.24 -1.13 -4.40 114.28 104.36 2jg4 n THR 651 Ca 0.12 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 2jg4 n THR 651 Cb 0.35 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.64 3.01 -0.30 4.78 5.36 -0.88 -5.01 117.98 124.31 2jg4 s PHE 652 Ca 0.06 0.59 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2jg4 s PHE 652 Cb 0.05 -3.97 0.08 0.00 -0.34 0.00 0.00 43.02 38.84 2jg4 s PHE 652 CO 0.01 -3.58 -0.02 -1.21 -1.46 0.00 0.00 175.22 168.95 2jg4 s GLU 653 N 0.99 1.77 0.20 10.12 2.02 -1.26 -5.10 118.70 127.44 2jg4 s GLU 653 Ca 0.70 -1.57 -0.32 0.00 0.02 0.00 0.00 54.97 53.81 2jg4 s GLU 653 Cb -0.45 -2.99 -0.11 0.00 0.10 0.00 0.00 34.13 30.68 2jg4 s GLU 653 CO 0.33 -0.77 1.67 0.42 0.02 0.00 0.00 175.26 176.93 2jg4 s ILE 654 N 1.04 2.21 0.04 -1.63 1.01 -1.26 -5.00 121.20 117.61 2jg4 s ILE 654 Ca 0.02 0.15 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 2jg4 s ILE 654 Cb -0.19 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 2jg4 s ILE 654 CO -0.07 0.01 0.89 -0.62 0.00 0.00 0.00 174.94 175.15 2jg4 s ASP 655 N 1.12 7.32 0.14 3.58 2.15 -1.26 -4.97 116.67 124.74 2jg4 s ASP 655 Ca 0.73 1.59 -0.14 0.00 0.43 0.00 0.00 52.55 55.15 2jg4 s ASP 655 Cb -0.48 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.62 2jg4 s ASP 655 CO 0.33 -0.12 1.63 -0.08 -0.17 0.00 0.00 175.17 176.77 2jg4 h GLU 656 N 6.15 0.72 0.19 4.34 4.81 -1.99 -1.49 114.58 127.31 2jg4 h GLU 656 Ca -0.42 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2jg4 h GLU 656 Cb 1.21 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2jg4 h GLU 656 CO 0.73 0.73 -0.09 0.87 -0.73 0.00 0.00 179.01 180.52 2jg4 h LYS 657 N 0.59 -0.25 -0.86 1.92 1.79 -2.00 -0.70 116.57 117.06 2jg4 h LYS 657 Ca 0.14 0.02 0.18 0.00 -2.18 0.00 0.00 60.65 58.80 2jg4 h LYS 657 Cb 0.34 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.94 2jg4 h LYS 657 CO 0.00 -0.15 0.40 0.00 -1.08 0.00 0.00 179.45 178.62 2jg4 h ARG 658 N -0.28 0.49 -0.01 3.15 2.47 -1.96 -1.46 114.38 116.79 2jg4 h ARG 658 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2jg4 h ARG 658 Cb 0.21 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2jg4 h ARG 658 CO 0.04 0.33 0.00 0.35 0.56 0.00 0.00 179.97 181.25 2jg4 h PHE 659 N 0.51 0.01 -0.47 3.04 3.57 -0.60 -1.74 116.94 121.26 2jg4 h PHE 659 Ca 0.50 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.05 2jg4 h PHE 659 Cb 0.82 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 2jg4 h PHE 659 CO -0.12 0.15 0.19 0.93 -2.23 0.00 0.00 178.31 177.24 2jg4 h GLU 660 N -0.13 0.38 -0.36 1.11 4.39 -0.50 -1.46 114.58 118.00 2jg4 h GLU 660 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2jg4 h GLU 660 Cb 0.15 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2jg4 h GLU 660 CO -0.00 0.25 0.16 0.82 -1.16 0.00 0.00 179.01 179.08 2jg4 h ILE 661 N 0.39 1.17 -0.15 3.13 2.04 -1.21 -2.05 117.51 120.83 2jg4 h ILE 661 Ca 0.21 -0.51 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 2jg4 h ILE 661 Cb 0.18 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2jg4 h ILE 661 CO -0.19 0.19 -0.49 0.40 0.00 0.00 0.00 178.15 178.05 2jg4 h ILE 662 N 0.44 1.34 -0.64 -0.67 2.04 -1.18 -1.74 117.51 117.11 2jg4 h ILE 662 Ca 0.12 -1.76 0.12 0.00 1.00 0.00 0.00 64.86 64.34 2jg4 h ILE 662 Cb 0.14 2.03 -0.09 0.00 -0.74 0.00 0.00 36.82 38.16 2jg4 h ILE 662 CO -0.01 0.54 0.17 0.50 0.00 0.00 0.00 178.15 179.34 2jg4 h LYS 663 N 0.25 0.29 -0.20 2.37 3.64 -1.28 0.15 116.57 121.79 2jg4 h LYS 663 Ca -0.02 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2jg4 h LYS 663 Cb 1.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2jg4 h LYS 663 CO 0.10 0.19 0.06 1.49 -2.27 0.00 0.00 179.45 179.03 2jg4 h GLU 664 N 0.30 0.31 -0.30 1.90 4.22 -1.17 0.03 114.58 119.88 2jg4 h GLU 664 Ca 0.34 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.71 2jg4 h GLU 664 Cb 0.51 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jg4 h GLU 664 CO -0.41 0.42 0.19 0.00 -2.18 0.00 0.00 179.01 177.03 2jg4 h ALA 665 N 0.88 1.77 -0.24 2.92 0.00 -0.96 -2.13 119.26 121.50 2jg4 h ALA 665 Ca 0.06 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2jg4 h ALA 665 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jg4 h ALA 665 CO -0.00 0.21 -0.53 -0.92 0.00 0.00 0.00 179.25 178.01 2jg4 h TYR 666 N 0.40 0.99 0.14 0.00 3.20 -0.12 -0.80 116.97 120.78 2jg4 h TYR 666 Ca 0.11 -0.37 0.02 0.00 3.14 0.00 0.00 58.73 61.63 2jg4 h TYR 666 Cb -0.03 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 2jg4 h TYR 666 CO 0.00 1.18 -0.46 1.98 -1.64 0.00 0.00 178.16 179.22 2jg4 h MET 667 N 0.53 -0.68 -0.46 1.82 4.05 -0.64 -1.32 114.93 118.23 2jg4 h MET 667 Ca 0.00 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 2jg4 h MET 667 Cb 1.14 0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 32.03 2jg4 h MET 667 CO 0.12 -0.45 0.12 0.00 0.23 0.00 0.00 176.91 176.92 2jg4 h ARG 668 N -0.70 0.25 -0.44 0.39 3.08 -1.37 -2.00 114.38 113.59 2jg4 h ARG 668 Ca 0.01 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2jg4 h ARG 668 Cb 0.72 -0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.62 2jg4 h ARG 668 CO -0.25 0.17 -0.17 1.03 -1.07 0.00 0.00 179.97 179.68 2jg4 h SER 669 N 0.26 -0.59 -0.37 7.04 0.87 -0.89 0.18 113.55 120.05 2jg4 h SER 669 Ca 0.23 0.15 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2jg4 h SER 669 Cb 0.27 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 2jg4 h SER 669 CO -0.28 -0.20 0.21 -0.07 -0.53 0.00 0.00 176.83 175.97 2jg4 h LEU 670 N -0.07 0.45 -0.90 2.23 3.38 -0.64 -2.59 115.31 117.17 2jg4 h LEU 670 Ca 0.21 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2jg4 h LEU 670 Cb 0.40 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 2jg4 h LEU 670 CO -0.49 0.39 0.56 0.78 0.09 0.00 0.00 178.44 179.77 2jg4 h ASN 671 N 0.48 0.87 0.08 -0.43 2.35 -0.78 -2.85 115.58 115.30 2jg4 h ASN 671 Ca 0.13 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2jg4 h ASN 671 Cb 0.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2jg4 h ASN 671 CO -0.02 0.54 0.00 0.78 -1.65 0.00 0.00 177.43 177.08 2jg4 h ASN 672 N 1.00 0.00 -0.28 5.81 -0.26 -0.25 -2.36 115.58 119.23 2jg4 h ASN 672 Ca 0.40 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 56.22 2jg4 h ASN 672 Cb 0.22 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2jg4 h ASN 672 CO -0.19 0.00 0.33 0.15 -1.06 0.00 0.00 177.43 176.66 2jg4 h PHE 673 N 0.00 0.00 0.00 1.19 3.57 -1.49 0.99 116.94 121.20 2jg4 h PHE 673 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jg4 h PHE 673 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2jg4 h PHE 673 CO 0.00 0.00 0.00 0.07 -2.23 0.00 0.00 178.31 176.15 2jg4 h ARG 674 N 0.00 0.00 -0.01 1.11 0.11 -1.67 -2.22 114.38 111.71 2jg4 h ARG 674 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2jg4 h ARG 674 Cb 0.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.88 2jg4 h ARG 674 CO -0.00 0.00 -0.40 0.00 0.10 0.00 0.00 179.97 179.67 2jg4 n ALA 675 N -1.93 3.37 -0.85 0.08 0.00 0.34 -4.34 120.51 117.20 2jg4 n ALA 675 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 53.44 52.71 2jg4 n ALA 675 Cb 0.19 -1.08 0.16 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.68 1.04 0.61 0.00 0.41 -0.84 -4.90 118.70 112.34 2jg4 s GLU 676 Ca 0.19 1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 55.88 2jg4 s GLU 676 Cb 0.18 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.76 2jg4 s GLU 676 CO 0.60 -2.53 1.11 -0.65 -0.49 0.00 0.00 175.26 173.30 2jg4 s GLN 677 N -4.71 3.07 0.25 1.61 -0.21 -1.26 -4.81 119.66 113.60 2jg4 s GLN 677 Ca 0.65 1.44 -0.03 0.00 0.02 0.00 0.00 55.36 57.44 2jg4 s GLN 677 Cb -0.21 -1.98 0.52 0.00 1.00 0.00 0.00 33.01 32.33 2jg4 s GLN 677 CO 0.58 -1.05 1.68 -1.35 -2.12 0.00 0.00 175.29 173.04 2jg4 h PRO 678 N 0.50 0.26 0.00 2.91 0.11 -1.89 0.18 132.00 134.06 2jg4 h PRO 678 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 2jg4 h PRO 678 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jg4 h PRO 678 CO 0.55 0.18 -0.21 1.12 -0.21 0.00 0.00 178.00 179.43 2jg4 h HIS 679 N 0.27 0.00 -0.08 0.65 2.07 -1.87 0.89 115.15 117.09 2jg4 h HIS 679 Ca 0.45 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.81 2jg4 h HIS 679 Cb 0.79 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.78 2jg4 h HIS 679 CO -0.26 0.21 -0.56 1.96 -3.07 0.00 0.00 177.93 176.20 2jg4 h GLN 680 N 0.00 0.52 -0.57 5.12 4.20 -1.36 -2.53 115.11 120.48 2jg4 h GLN 680 Ca -0.00 -0.45 0.08 0.00 0.06 0.00 0.00 58.65 58.34 2jg4 h GLN 680 Cb 0.39 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 2jg4 h GLN 680 CO 0.03 1.09 0.21 0.45 -0.67 0.00 0.00 178.83 179.94 2jg4 h HIS 681 N 0.10 0.37 -0.20 2.96 3.86 -0.72 -1.66 115.15 119.85 2jg4 h HIS 681 Ca -0.05 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.24 2jg4 h HIS 681 Cb 1.22 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 29.55 2jg4 h HIS 681 CO 0.12 0.11 -0.17 0.00 0.86 0.00 0.00 177.93 178.84 2jg4 h ALA 682 N 1.39 -0.04 -0.86 2.45 0.00 -0.77 -1.30 119.26 120.12 2jg4 h ALA 682 Ca 0.28 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.33 2jg4 h ALA 682 Cb 0.33 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2jg4 h ALA 682 CO -0.28 -0.60 0.53 0.52 0.00 0.00 0.00 179.25 179.42 2jg4 h MET 683 N -0.18 0.93 -0.05 0.00 2.07 -1.14 -1.62 114.93 114.93 2jg4 h MET 683 Ca 0.12 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2jg4 h MET 683 Cb 0.36 -0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 29.88 2jg4 h MET 683 CO -0.31 0.61 0.01 -0.92 1.07 0.00 0.00 176.91 177.38 2jg4 h TYR 684 N 0.95 0.08 -0.49 -0.22 3.20 -0.60 -2.36 116.97 117.53 2jg4 h TYR 684 Ca 0.38 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.25 2jg4 h TYR 684 Cb 0.21 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 2jg4 h TYR 684 CO -0.03 0.27 0.32 1.88 -1.64 0.00 0.00 178.16 178.95 2jg4 h TYR 685 N -0.13 0.62 -0.43 -3.82 0.05 -1.07 -1.08 116.97 111.11 2jg4 h TYR 685 Ca 0.02 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.86 2jg4 h TYR 685 Cb 0.22 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.71 2jg4 h TYR 685 CO -0.00 0.40 0.16 1.25 -1.05 0.00 0.00 178.16 178.92 2jg4 h LEU 686 N 0.67 0.18 -0.49 3.88 5.85 -1.23 0.96 115.31 125.13 2jg4 h LEU 686 Ca 0.18 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2jg4 h LEU 686 Cb -0.06 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2jg4 h LEU 686 CO -0.04 0.14 0.22 -0.09 -0.34 0.00 0.00 178.44 178.34 2jg4 h ARG 687 N 0.34 0.43 -0.31 1.25 2.43 -1.04 0.84 114.38 118.31 2jg4 h ARG 687 Ca 0.20 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2jg4 h ARG 687 Cb 0.18 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2jg4 h ARG 687 CO -0.19 0.28 0.15 -0.07 -1.51 0.00 0.00 179.97 178.63 2jg4 h LEU 688 N 0.44 0.22 -0.70 3.80 3.38 -0.42 -2.37 115.31 119.65 2jg4 h LEU 688 Ca 0.22 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2jg4 h LEU 688 Cb 0.16 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jg4 h LEU 688 CO -0.18 0.17 0.20 -0.07 0.09 0.00 0.00 178.44 178.65 2jg4 h LEU 689 N 0.32 1.04 0.00 1.67 3.38 -0.20 -3.30 115.31 118.23 2jg4 h LEU 689 Ca 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jg4 h LEU 689 Cb 0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2jg4 h LEU 689 CO -0.09 0.99 -0.66 0.24 0.09 0.00 0.00 178.44 179.01 2jg4 h MET 690 N 1.05 0.00 -5.61 1.13 2.86 -0.64 -3.45 114.93 110.26 2jg4 h MET 690 Ca 0.22 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.24 2jg4 h MET 690 Cb 0.33 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.91 2jg4 h MET 690 CO -0.00 0.00 -0.38 0.99 1.06 0.00 0.00 176.91 178.58 2jg4 s THR 691 N -3.23 5.34 0.16 2.22 2.01 -0.91 -1.20 115.64 120.03 2jg4 s THR 691 Ca 0.04 0.43 -0.23 0.00 0.31 0.00 0.00 61.69 62.25 2jg4 s THR 691 Cb 0.11 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 69.14 2jg4 s THR 691 CO 0.73 0.51 1.60 -0.08 -0.69 0.00 0.00 174.62 176.69 2jg4 h GLU 692 N 5.72 -0.25 -4.96 4.92 4.81 -1.35 -3.40 114.58 120.08 2jg4 h GLU 692 Ca -0.48 0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.21 2jg4 h GLU 692 Cb 1.19 0.06 -0.33 0.00 0.63 0.00 0.00 28.75 30.31 2jg4 h GLU 692 CO 0.67 -0.16 -0.83 0.08 -0.73 0.00 0.00 179.01 178.03 2jg4 s VAL 693 N -5.99 1.39 -0.30 0.32 1.01 -1.26 -5.03 120.40 110.53 2jg4 s VAL 693 Ca -0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 2jg4 s VAL 693 Cb 0.13 -1.23 0.19 0.00 0.00 0.00 0.00 36.38 35.47 2jg4 s VAL 693 CO 0.68 0.41 0.79 0.00 0.00 0.00 0.00 175.10 176.97 2jg4 s ALA 694 N 0.37 -2.84 0.08 5.51 0.00 -1.26 -5.07 121.76 118.54 2jg4 s ALA 694 Ca -0.11 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2jg4 s ALA 694 Cb -0.14 -2.40 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 2jg4 s ALA 694 CO 0.04 -1.52 1.00 -1.58 0.00 0.00 0.00 175.76 173.69 2jg4 s TRP 695 N 2.90 3.72 0.59 0.00 0.52 -1.26 -5.00 118.94 120.40 2jg4 s TRP 695 Ca 0.13 1.72 -0.08 0.00 0.02 0.00 0.00 56.10 57.88 2jg4 s TRP 695 Cb -0.11 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.07 2jg4 s TRP 695 CO -0.19 -0.04 0.93 0.95 0.02 0.00 0.00 176.95 178.63 2jg4 s THR 696 N 0.38 4.27 0.27 2.01 -4.23 -1.26 -4.90 115.64 112.18 2jg4 s THR 696 Ca 0.50 0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 2jg4 s THR 696 Cb -0.24 -3.69 0.16 0.00 1.34 0.00 0.00 72.50 70.07 2jg4 s THR 696 CO 0.30 -0.79 1.82 0.11 -0.54 0.00 0.00 174.62 175.52 2jg4 h LYS 697 N -0.18 0.88 -0.42 3.99 1.79 -1.96 -0.60 116.57 120.06 2jg4 h LYS 697 Ca -0.45 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 57.83 2jg4 h LYS 697 Cb 1.22 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 2jg4 h LYS 697 CO 0.62 0.78 0.22 -0.44 -1.08 0.00 0.00 179.45 179.54 2jg4 h ASP 698 N 0.85 0.54 -0.33 0.86 3.32 -1.93 0.15 116.42 119.88 2jg4 h ASP 698 Ca 0.19 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2jg4 h ASP 698 Cb 0.28 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 2jg4 h ASP 698 CO -0.00 0.49 0.14 -0.33 -1.72 0.00 0.00 179.24 177.82 2jg4 h GLU 699 N 0.55 0.30 -0.08 3.56 5.08 -1.82 -1.71 114.58 120.45 2jg4 h GLU 699 Ca 0.15 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2jg4 h GLU 699 Cb 0.08 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2jg4 h GLU 699 CO -0.02 0.20 0.04 -0.07 -1.00 0.00 0.00 179.01 178.15 2jg4 h LEU 700 N 0.31 0.11 -1.34 1.33 3.38 -0.83 -1.47 115.31 116.80 2jg4 h LEU 700 Ca 0.14 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2jg4 h LEU 700 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jg4 h LEU 700 CO -0.12 0.21 -0.10 0.07 0.09 0.00 0.00 178.44 178.59 2jg4 h LYS 701 N 0.01 0.00 -0.04 1.13 2.10 -0.91 -0.68 116.57 118.19 2jg4 h LYS 701 Ca 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 2jg4 h LYS 701 Cb 0.13 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2jg4 h LYS 701 CO -0.00 0.10 -0.06 1.49 -2.00 0.00 0.00 179.45 178.98 2jg4 h GLU 702 N 0.00 0.10 0.00 0.07 4.81 -1.15 -3.21 114.58 115.20 2jg4 h GLU 702 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jg4 h GLU 702 Cb 0.60 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2jg4 h GLU 702 CO 0.01 0.61 0.00 0.00 -0.73 0.00 0.00 179.01 178.90 2jg4 h ALA 703 N 0.49 1.00 -0.48 2.92 0.00 -0.78 -3.23 119.26 119.19 2jg4 h ALA 703 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2jg4 h ALA 703 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2jg4 h ALA 703 CO 0.01 0.00 -0.17 1.25 0.00 0.00 0.00 179.25 180.34 2jg4 h LEU 704 N 0.00 0.94 -2.76 0.00 5.85 -1.14 -2.80 115.31 115.40 2jg4 h LEU 704 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2jg4 h LEU 704 Cb 0.28 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2jg4 h LEU 704 CO 0.00 1.09 0.04 0.44 -0.34 0.00 0.00 178.44 179.67 2jg4 h ASP 705 N 0.82 0.00 -0.23 1.25 3.45 -1.71 0.64 116.42 120.63 2jg4 h ASP 705 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 2jg4 h ASP 705 Cb 0.72 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 2jg4 h ASP 705 CO 0.06 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.20 2jg4 n ASP 706 N -3.00 2.52 -4.57 6.45 8.00 -1.06 -4.80 116.55 120.09 2jg4 n ASP 706 Ca -0.03 -1.84 -0.43 0.00 0.71 0.00 0.00 54.79 53.20 2jg4 n ASP 706 Cb 0.11 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.71 4.39 0.27 2.53 1.01 0.21 -5.00 120.40 122.11 2jg4 s VAL 707 Ca 0.35 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.30 2jg4 s VAL 707 Cb 0.20 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2jg4 s VAL 707 CO 0.29 -0.89 0.00 0.42 0.00 0.00 0.00 175.10 174.92 2jg4 s THR 708 N 3.97 3.40 0.11 3.92 -4.23 -1.26 -5.01 115.64 116.54 2jg4 s THR 708 Ca 0.40 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.74 2jg4 s THR 708 Cb -0.09 -2.85 -0.07 0.00 1.34 0.00 0.00 72.50 70.82 2jg4 s THR 708 CO 0.28 -0.36 1.64 0.25 -0.54 0.00 0.00 174.62 175.89 2jg4 h LEU 709 N 1.86 -0.73 -0.85 4.79 5.85 -1.99 -1.25 115.31 122.99 2jg4 h LEU 709 Ca -0.44 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.49 2jg4 h LEU 709 Cb 1.25 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.48 2jg4 h LEU 709 CO 0.61 -0.33 0.47 -0.65 -0.34 0.00 0.00 178.44 178.20 2jg4 h PRO 710 N -0.44 0.72 -0.11 5.25 0.11 -2.00 -1.15 132.00 134.39 2jg4 h PRO 710 Ca 0.04 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2jg4 h PRO 710 Cb 0.48 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2jg4 h PRO 710 CO -0.17 0.48 -0.31 -0.09 -0.21 0.00 0.00 178.00 177.69 2jg4 h ARG 711 N 0.74 0.21 -0.17 1.05 2.43 -1.83 -2.11 114.38 114.71 2jg4 h ARG 711 Ca 0.43 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.38 2jg4 h ARG 711 Cb 0.49 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2jg4 h ARG 711 CO -0.29 0.51 -0.46 1.25 -1.51 0.00 0.00 179.97 179.46 2jg4 h LEU 712 N 0.18 0.70 -0.86 3.80 6.46 -0.57 -1.67 115.31 123.35 2jg4 h LEU 712 Ca 0.03 -0.58 0.12 0.00 -0.12 0.00 0.00 57.88 57.32 2jg4 h LEU 712 Cb 0.65 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 40.30 2jg4 h LEU 712 CO 0.05 1.16 0.48 0.11 -0.62 0.00 0.00 178.44 179.61 2jg4 h LYS 713 N 0.27 0.72 -0.04 1.25 1.57 -1.03 -0.78 116.57 118.53 2jg4 h LYS 713 Ca -0.01 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2jg4 h LYS 713 Cb 1.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2jg4 h LYS 713 CO 0.10 0.48 -0.49 0.00 -0.57 0.00 0.00 179.45 178.97 2jg4 h ALA 714 N 1.51 1.11 -0.29 3.86 0.00 -1.35 -3.26 119.26 120.84 2jg4 h ALA 714 Ca 0.44 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jg4 h ALA 714 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jg4 h ALA 714 CO -0.30 0.63 0.14 0.35 0.00 0.00 0.00 179.25 180.07 2jg4 h PHE 715 N 0.09 0.41 0.21 0.00 3.57 -0.16 -3.24 116.94 117.82 2jg4 h PHE 715 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2jg4 h PHE 715 Cb 0.90 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2jg4 h PHE 715 CO 0.01 0.38 -0.11 0.82 -2.23 0.00 0.00 178.31 177.17 2jg4 h ILE 716 N 0.33 0.77 -0.55 1.41 2.04 -1.50 0.54 117.51 120.56 2jg4 h ILE 716 Ca 0.10 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 2jg4 h ILE 716 Cb 0.12 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jg4 h ILE 716 CO -0.01 0.00 0.26 -0.65 0.00 0.00 0.00 178.15 177.75 2jg4 h PRO 717 N -0.30 0.77 0.00 2.37 0.11 -1.73 -0.08 132.00 133.14 2jg4 h PRO 717 Ca -0.03 -0.09 0.03 0.00 0.11 0.00 0.00 66.00 66.02 2jg4 h PRO 717 Cb 0.24 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 2jg4 h PRO 717 CO 0.04 0.60 -0.19 0.37 -0.21 0.00 0.00 178.00 178.60 2jg4 h GLN 718 N 0.77 -0.30 -0.72 1.05 5.75 -1.44 0.06 115.11 120.28 2jg4 h GLN 718 Ca 0.19 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.74 2jg4 h GLN 718 Cb 0.08 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 2jg4 h GLN 718 CO -0.03 -0.20 0.47 1.25 -2.65 0.00 0.00 178.83 177.68 2jg4 h LEU 719 N -0.31 0.78 0.00 -2.39 7.12 0.15 -2.88 115.31 117.78 2jg4 h LEU 719 Ca 0.06 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.05 2jg4 h LEU 719 Cb 0.38 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2jg4 h LEU 719 CO -0.17 0.55 -0.86 0.18 -0.13 0.00 0.00 178.44 178.00 2jg4 n LEU 720 N -4.45 0.73 -0.35 2.25 4.77 -0.15 -4.38 117.00 115.43 2jg4 n LEU 720 Ca 0.09 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.24 2jg4 n LEU 720 Cb 0.09 -0.12 0.09 0.00 -2.33 0.00 0.00 43.42 41.15 2jg4 n LEU 720 CO 0.35 -0.08 1.21 0.77 -1.33 0.00 0.00 177.39 178.31 2jg4 h SER 721 N 0.00 1.14 -3.34 -1.43 4.64 -0.76 -3.39 113.55 110.41 2jg4 h SER 721 Ca 0.00 -0.08 -0.50 0.00 -0.47 0.00 0.00 61.79 60.74 2jg4 h SER 721 Cb 0.84 -0.29 -0.35 0.00 -0.31 0.00 0.00 62.40 62.29 2jg4 h SER 721 CO 0.00 0.89 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.91 2jg4 s ARG 722 N -5.91 1.49 0.10 4.77 0.52 -1.26 -0.33 118.95 118.32 2jg4 s ARG 722 Ca -0.13 -0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 2jg4 s ARG 722 Cb 0.17 -1.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.27 2jg4 s ARG 722 CO 0.83 -0.09 0.18 -0.51 0.02 0.00 0.00 175.30 175.73 2jg4 s LEU 723 N 1.07 1.46 0.00 2.53 1.43 -1.07 -4.70 118.68 119.41 2jg4 s LEU 723 Ca -0.07 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.36 2jg4 s LEU 723 Cb -0.14 0.97 -0.02 0.00 0.03 0.00 0.00 46.19 47.03 2jg4 s LEU 723 CO -0.01 -0.74 -0.17 -2.28 0.23 0.00 0.00 176.35 173.38 2jg4 s HIS 724 N -3.88 1.51 -0.15 0.29 5.65 -1.08 -2.45 115.29 115.17 2jg4 s HIS 724 Ca 0.07 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.08 2jg4 s HIS 724 Cb 0.05 -0.95 0.00 0.00 -1.18 0.00 0.00 32.58 30.50 2jg4 s HIS 724 CO -0.09 0.00 -0.18 0.42 -0.65 0.00 0.00 174.74 174.24 2jg4 s ILE 725 N -0.51 2.45 -0.16 0.89 1.01 0.55 -0.29 121.20 125.14 2jg4 s ILE 725 Ca 0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 2jg4 s ILE 725 Cb -0.07 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.38 2jg4 s ILE 725 CO -0.00 0.53 -0.14 -0.70 0.00 0.00 0.00 174.94 174.63 2jg4 s GLU 726 N 0.83 3.26 0.07 2.79 2.12 -0.16 -0.69 118.70 126.92 2jg4 s GLU 726 Ca -0.06 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 54.62 2jg4 s GLU 726 Cb -0.15 -2.66 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2jg4 s GLU 726 CO -0.01 0.03 -0.19 0.00 -0.54 0.00 0.00 175.26 174.55 2jg4 s ALA 727 N 0.79 1.60 -0.18 6.30 0.00 -0.05 -0.61 121.76 129.62 2jg4 s ALA 727 Ca -0.05 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.84 2jg4 s ALA 727 Cb -0.15 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2jg4 s ALA 727 CO 0.00 0.32 -0.18 -1.17 0.00 0.00 0.00 175.76 174.74 2jg4 s LEU 728 N -1.49 2.23 -0.23 0.00 0.20 0.29 -0.29 118.68 119.39 2jg4 s LEU 728 Ca 0.05 -0.60 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 2jg4 s LEU 728 Cb -0.09 -1.51 0.03 0.00 -0.43 0.00 0.00 46.19 44.19 2jg4 s LEU 728 CO 0.03 0.02 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.25 2jg4 s LEU 729 N 1.19 2.99 -0.05 -0.68 1.43 -0.14 -0.55 118.68 122.87 2jg4 s LEU 729 Ca 0.02 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2jg4 s LEU 729 Cb -0.14 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2jg4 s LEU 729 CO -0.09 -0.10 -0.00 -2.28 0.23 0.00 0.00 176.35 174.10 2jg4 s HIS 730 N 1.30 0.56 -4.77 0.29 2.46 -0.29 -1.86 115.29 112.98 2jg4 s HIS 730 Ca 0.00 -0.11 0.00 0.00 0.47 0.00 0.00 55.06 55.43 2jg4 s HIS 730 Cb -0.16 -0.66 0.00 0.00 -0.13 0.00 0.00 32.58 31.63 2jg4 s HIS 730 CO -0.06 -0.24 0.00 0.41 -2.47 0.00 0.00 174.74 172.38 2jg4 n GLY 731 N 4.69 0.17 3.44 1.59 0.00 -0.83 -0.00 105.19 114.25 2jg4 n GLY 731 Ca -0.15 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 4.77 -3.55 1.61 5.15 -0.55 -0.17 115.26 122.52 2jg4 n ASN 732 Ca 0.00 -2.91 -0.15 0.00 -0.60 0.00 0.00 54.58 50.92 2jg4 n ASN 732 Cb 0.00 -1.73 -0.06 0.00 -0.53 0.00 0.00 39.78 37.46 2jg4 n ASN 732 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2jg4 s ILE 733 N 3.99 0.00 0.22 -1.44 -1.16 -1.26 -4.83 121.20 116.72 2jg4 s ILE 733 Ca 0.53 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.73 2jg4 s ILE 733 Cb 0.05 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 42.09 2jg4 s ILE 733 CO 0.05 0.00 0.18 0.42 -2.81 0.00 0.00 174.94 172.78 2jg4 s THR 734 N -1.01 4.48 0.24 4.00 -4.23 -1.26 -4.44 115.64 113.42 2jg4 s THR 734 Ca -0.07 -1.29 -0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2jg4 s THR 734 Cb -0.01 -3.38 0.23 0.00 1.34 0.00 0.00 72.50 70.69 2jg4 s THR 734 CO 0.06 -0.27 1.69 0.50 -0.54 0.00 0.00 174.62 176.07 2jg4 h LYS 735 N 1.78 0.29 -0.57 3.99 3.64 -1.99 0.30 116.57 124.02 2jg4 h LYS 735 Ca -0.48 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 2jg4 h LYS 735 Cb 1.23 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 2jg4 h LYS 735 CO 0.62 0.19 0.12 0.37 -2.27 0.00 0.00 179.45 178.47 2jg4 h GLN 736 N 0.30 0.93 -0.30 1.90 5.75 -1.99 -1.67 115.11 120.02 2jg4 h GLN 736 Ca 0.41 -0.24 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 2jg4 h GLN 736 Cb 0.69 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 2jg4 h GLN 736 CO -0.49 0.87 -0.25 0.00 -2.65 0.00 0.00 178.83 176.32 2jg4 h ALA 737 N 1.01 1.00 -0.09 3.38 0.00 -1.59 -1.48 119.26 121.49 2jg4 h ALA 737 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jg4 h ALA 737 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jg4 h ALA 737 CO 0.01 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.86 2jg4 h ALA 738 N 1.21 0.12 -0.66 0.00 0.00 -0.21 0.11 119.26 119.84 2jg4 h ALA 738 Ca 0.07 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jg4 h ALA 738 Cb 0.71 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2jg4 h ALA 738 CO 0.05 -0.22 0.44 -0.07 0.00 0.00 0.00 179.25 179.45 2jg4 h LEU 739 N -0.09 0.62 -0.46 0.00 3.38 -1.27 -1.32 115.31 116.19 2jg4 h LEU 739 Ca 0.03 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2jg4 h LEU 739 Cb 0.30 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jg4 h LEU 739 CO 0.00 0.42 -0.17 1.23 0.09 0.00 0.00 178.44 180.01 2jg4 h GLY 740 N 0.72 1.00 0.84 0.83 0.00 -0.58 -0.47 103.07 105.40 2jg4 h GLY 740 Ca 0.28 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2jg4 h GLY 740 CO -0.08 0.78 0.04 -2.22 0.00 0.00 0.00 176.54 175.06 2jg4 h ILE 741 N 0.76 1.17 -0.07 2.60 2.04 -0.21 -1.56 117.51 122.24 2jg4 h ILE 741 Ca 0.11 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2jg4 h ILE 741 Cb 0.73 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2jg4 h ILE 741 CO 0.06 0.16 0.03 -0.03 0.00 0.00 0.00 178.15 178.37 2jg4 h MET 742 N 0.00 0.07 -1.00 2.37 4.05 -1.27 -0.78 114.93 118.38 2jg4 h MET 742 Ca 0.04 -0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.62 2jg4 h MET 742 Cb 0.21 -0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 30.90 2jg4 h MET 742 CO -0.00 0.05 0.62 0.37 0.23 0.00 0.00 176.91 178.17 2jg4 h GLN 743 N 0.07 0.80 -0.24 0.39 5.75 -1.02 -1.04 115.11 119.83 2jg4 h GLN 743 Ca 0.03 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 2jg4 h GLN 743 Cb 0.00 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.37 2jg4 h GLN 743 CO -0.02 0.53 -0.36 1.98 -2.65 0.00 0.00 178.83 178.31 2jg4 h MET 744 N 0.83 0.66 -0.47 1.69 4.05 -0.57 -0.47 114.93 120.65 2jg4 h MET 744 Ca 0.54 -0.40 0.03 0.00 -0.28 0.00 0.00 59.70 59.59 2jg4 h MET 744 Cb 0.76 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.57 2jg4 h MET 744 CO -0.32 1.01 0.27 0.28 0.23 0.00 0.00 176.91 178.37 2jg4 h VAL 745 N 0.37 1.02 0.57 -5.77 2.07 -0.31 -1.64 116.25 112.56 2jg4 h VAL 745 Ca 0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2jg4 h VAL 745 Cb 0.95 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2jg4 h VAL 745 CO 0.08 0.10 -0.29 -0.33 0.02 0.00 0.00 177.57 177.15 2jg4 h GLU 746 N 0.53 -0.76 -0.81 1.57 5.08 -1.13 -2.50 114.58 116.56 2jg4 h GLU 746 Ca 0.19 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2jg4 h GLU 746 Cb 0.05 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2jg4 h GLU 746 CO -0.10 -0.51 0.53 -0.44 -1.00 0.00 0.00 179.01 177.49 2jg4 h ASP 747 N -0.79 0.80 -0.45 1.42 3.45 -0.90 0.27 116.42 120.21 2jg4 h ASP 747 Ca -0.07 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.32 2jg4 h ASP 747 Cb 0.62 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 2jg4 h ASP 747 CO 0.11 0.52 0.01 0.74 -1.57 0.00 0.00 179.24 179.05 2jg4 h THR 748 N 0.91 1.26 0.01 0.35 2.02 -1.28 -0.24 112.91 115.94 2jg4 h THR 748 Ca 0.34 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jg4 h THR 748 Cb 0.19 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2jg4 h THR 748 CO -0.12 0.36 -0.00 -0.07 0.37 0.00 0.00 175.52 176.05 2jg4 h LEU 749 N 0.65 -0.01 -0.21 2.58 3.38 -0.78 -1.63 115.31 119.30 2jg4 h LEU 749 Ca 0.13 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2jg4 h LEU 749 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2jg4 h LEU 749 CO 0.02 0.33 -0.16 0.40 0.09 0.00 0.00 178.44 179.12 2jg4 h ILE 750 N -0.35 0.55 -0.34 1.22 2.04 -0.50 0.34 117.51 120.48 2jg4 h ILE 750 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jg4 h ILE 750 Cb 0.34 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2jg4 h ILE 750 CO 0.00 0.00 0.11 -0.08 0.00 0.00 0.00 178.15 178.18 2jg4 h GLU 751 N -0.16 0.52 0.00 2.37 4.81 -1.05 -0.08 114.58 120.99 2jg4 h GLU 751 Ca 0.12 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 2jg4 h GLU 751 Cb 0.35 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2jg4 h GLU 751 CO -0.31 0.55 -1.72 0.72 -0.73 0.00 0.00 179.01 177.52 2jg4 n HIS 752 N -4.67 0.69 0.10 0.92 8.25 -0.61 -4.48 115.22 115.41 2jg4 n HIS 752 Ca -0.01 0.23 0.01 0.00 -0.26 0.00 0.00 57.72 57.69 2jg4 n HIS 752 Cb 0.17 -1.03 -0.02 0.00 1.12 0.00 0.00 29.99 30.23 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 -2.48 2.29 -2.56 -1.41 0.00 0.11 -4.83 120.51 111.63 2jg4 n ALA 753 Ca -0.15 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 2jg4 n ALA 753 Cb 0.92 -0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.28 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 -1.19 -1.00 -1.67 0.00 -0.00 -0.04 -4.49 115.22 106.82 2jg4 n HIS 754 Ca 0.00 0.21 -0.42 0.00 -0.00 0.00 0.00 57.72 57.51 2jg4 n HIS 754 Cb 0.05 -3.02 -0.03 0.00 -0.00 0.00 0.00 29.99 26.99 2jg4 n HIS 754 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2jg4 s THR 755 N -2.83 3.04 0.20 1.59 2.01 -1.22 -4.85 115.64 113.58 2jg4 s THR 755 Ca 0.12 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.23 2jg4 s THR 755 Cb -0.05 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2jg4 s THR 755 CO 0.15 -0.01 0.18 -0.54 -0.69 0.00 0.00 174.62 173.71 2jg4 s LYS 756 N 4.90 2.98 0.81 4.92 1.02 0.56 -4.59 119.74 130.33 2jg4 s LYS 756 Ca 0.91 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.88 2jg4 s LYS 756 Cb -0.40 -2.65 0.08 0.00 -0.52 0.00 0.00 37.83 34.34 2jg4 s LYS 756 CO 0.40 0.46 1.12 -2.14 -0.92 0.00 0.00 175.35 174.26 2jg4 s PRO 757 N -3.41 1.86 0.60 -1.68 0.02 -1.26 -2.59 135.00 128.54 2jg4 s PRO 757 Ca 0.32 1.37 -0.05 0.00 0.02 0.00 0.00 61.00 62.66 2jg4 s PRO 757 Cb -0.09 -1.84 0.02 0.00 0.02 0.00 0.00 34.50 32.61 2jg4 s PRO 757 CO 0.25 -1.97 0.90 -1.17 -0.33 0.00 0.00 177.00 174.67 2jg4 s LEU 758 N -6.00 3.17 0.10 -5.54 2.96 -1.03 -4.67 118.68 107.67 2jg4 s LEU 758 Ca 0.65 0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 54.92 2jg4 s LEU 758 Cb -0.20 -3.35 -0.07 0.00 0.50 0.00 0.00 46.19 43.07 2jg4 s LEU 758 CO 0.54 -1.17 0.59 -0.76 -1.32 0.00 0.00 176.35 174.23 2jg4 s LEU 759 N -5.00 4.50 0.35 -0.68 1.02 -1.26 -4.95 118.68 112.65 2jg4 s LEU 759 Ca 0.55 1.27 0.13 0.00 0.02 0.00 0.00 54.13 56.10 2jg4 s LEU 759 Cb -0.11 -3.01 0.96 0.00 0.02 0.00 0.00 46.19 44.06 2jg4 s LEU 759 CO 0.44 0.24 1.74 -0.65 0.02 0.00 0.00 176.35 178.14 2jg4 h PRO 760 N 4.33 0.51 0.00 1.29 0.11 -1.98 0.62 132.00 136.88 2jg4 h PRO 760 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jg4 h PRO 760 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jg4 h PRO 760 CO 0.64 0.33 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 2jg4 h SER 761 N 0.52 0.00 1.38 -2.05 4.64 -2.06 -2.13 113.55 113.86 2jg4 h SER 761 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 2jg4 h SER 761 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2jg4 h SER 761 CO -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.55 2jg4 n GLN 762 N -2.97 0.23 -1.78 4.77 6.02 0.21 -4.42 117.38 119.45 2jg4 n GLN 762 Ca 0.00 0.21 -0.41 0.00 -0.01 0.00 0.00 57.00 56.79 2jg4 n GLN 762 Cb 0.25 -1.78 -0.01 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.19 7.50 -4.71 1.08 4.77 -0.80 -4.83 117.00 117.82 2jg4 n LEU 763 Ca 0.05 -4.41 -0.38 0.00 -0.03 0.00 0.00 56.01 51.25 2jg4 n LEU 763 Cb 0.41 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.88 2jg4 n LEU 763 CO 0.29 1.55 0.19 -0.69 -1.33 0.00 0.00 177.39 177.40 2jg4 s VAL 764 N 1.77 5.17 0.09 4.08 1.01 -1.26 -5.08 120.40 126.17 2jg4 s VAL 764 Ca 0.53 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.43 2jg4 s VAL 764 Cb 0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2jg4 s VAL 764 CO -0.06 0.29 0.29 -0.13 0.00 0.00 0.00 175.10 175.49 2jg4 s ARG 765 N 0.86 3.54 0.45 2.72 1.81 -1.26 -5.06 118.95 122.00 2jg4 s ARG 765 Ca 0.26 -0.24 -0.20 0.00 -1.72 0.00 0.00 55.73 53.83 2jg4 s ARG 765 Cb -0.15 -2.96 -0.10 0.00 -0.45 0.00 0.00 34.95 31.28 2jg4 s ARG 765 CO 0.10 0.56 0.96 0.71 -0.68 0.00 0.00 175.30 176.95 2jg4 s TYR 766 N -1.54 3.35 0.32 -0.53 4.12 -1.26 -5.05 117.35 116.75 2jg4 s TYR 766 Ca 0.36 1.57 0.07 0.00 0.02 0.00 0.00 57.07 59.10 2jg4 s TYR 766 Cb -0.13 -2.83 -0.03 0.00 -1.52 0.00 0.00 41.96 37.45 2jg4 s TYR 766 CO 0.25 -0.18 0.28 1.03 0.02 0.00 0.00 175.55 176.94 2jg4 s ARG 767 N -3.44 2.79 -0.16 -0.62 0.52 -1.26 -4.82 118.95 111.96 2jg4 s ARG 767 Ca 0.61 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.52 2jg4 s ARG 767 Cb -0.09 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.82 2jg4 s ARG 767 CO 0.18 0.17 0.11 -2.00 0.02 0.00 0.00 175.30 173.78 2jg4 s GLU 768 N -3.97 3.83 0.10 3.54 2.12 -1.26 -0.90 118.70 122.17 2jg4 s GLU 768 Ca 0.39 -0.23 -0.35 0.00 0.36 0.00 0.00 54.97 55.13 2jg4 s GLU 768 Cb -0.06 -3.26 -0.18 0.00 0.26 0.00 0.00 34.13 30.89 2jg4 s GLU 768 CO 0.26 0.47 1.07 0.28 -0.54 0.00 0.00 175.26 176.80 2jg4 n VAL 769 N 2.96 0.57 -3.30 3.70 0.31 -0.34 -1.19 118.33 121.04 2jg4 n VAL 769 Ca -0.18 -0.14 -0.43 0.00 -0.01 0.00 0.00 64.34 63.58 2jg4 n VAL 769 Cb 0.53 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.18 3.12 0.27 5.55 0.74 0.15 -4.73 119.66 124.59 2jg4 s GLN 770 Ca 0.80 -0.71 -0.29 0.00 0.05 0.00 0.00 55.36 55.21 2jg4 s GLN 770 Cb -1.03 -3.96 -0.09 0.00 1.10 0.00 0.00 33.01 29.02 2jg4 s GLN 770 CO 0.54 -0.86 1.16 -0.51 -0.55 0.00 0.00 175.29 175.06 2jg4 s LEU 771 N 2.21 4.51 0.47 3.68 1.02 -1.26 -4.13 118.68 125.17 2jg4 s LEU 771 Ca 0.13 2.35 -0.21 0.00 0.02 0.00 0.00 54.13 56.42 2jg4 s LEU 771 Cb -0.17 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.33 2jg4 s LEU 771 CO 0.14 -0.27 1.04 -2.16 0.02 0.00 0.00 176.35 175.12 2jg4 s PRO 772 N -1.26 3.85 -0.02 1.29 0.04 -1.26 -4.94 135.00 132.70 2jg4 s PRO 772 Ca 0.47 1.37 -0.36 0.00 0.04 0.00 0.00 61.00 62.52 2jg4 s PRO 772 Cb -0.34 -2.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.91 2jg4 s PRO 772 CO 0.42 -0.39 1.62 -0.25 0.04 0.00 0.00 177.00 178.44 2jg4 n ASP 773 N -0.86 2.59 -0.20 6.66 10.43 -1.26 -1.20 116.55 132.70 2jg4 n ASP 773 Ca 0.09 1.07 -0.03 0.00 2.57 0.00 0.00 54.79 58.49 2jg4 n ASP 773 Cb 0.52 -1.28 -0.01 0.00 1.84 0.00 0.00 41.12 42.19 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 4.34 -1.10 -2.56 -1.24 1.74 -0.12 -4.93 116.66 112.79 2jg4 n ARG 774 Ca 0.21 0.43 -0.35 0.00 -0.77 0.00 0.00 57.85 57.37 2jg4 n ARG 774 Cb 0.22 -4.34 -0.04 0.00 -1.02 0.00 0.00 32.46 27.29 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 -2.19 2.61 -0.12 -0.13 0.00 -0.34 -4.99 107.32 102.16 2jg4 s GLY 775 Ca 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 44.72 45.32 2jg4 s GLY 775 CO 0.00 1.01 0.19 0.86 0.00 0.00 0.00 173.10 175.16 2jg4 s TRP 776 N -1.84 -0.24 0.12 1.90 -0.00 -1.26 -2.43 118.94 115.19 2jg4 s TRP 776 Ca 0.62 0.60 0.10 0.00 -0.00 0.00 0.00 56.10 57.43 2jg4 s TRP 776 Cb -0.19 -0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.01 2jg4 s TRP 776 CO 0.23 -0.35 -0.24 -0.06 -0.00 0.00 0.00 176.95 176.53 2jg4 s PHE 777 N 2.32 2.38 -0.07 5.86 0.40 -0.58 -1.60 117.98 126.69 2jg4 s PHE 777 Ca 0.03 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 2jg4 s PHE 777 Cb -0.13 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.13 2jg4 s PHE 777 CO -0.08 0.34 -0.08 0.08 0.70 0.00 0.00 175.22 176.19 2jg4 s VAL 778 N -1.07 0.87 -0.10 -0.44 1.01 -0.65 -0.64 120.40 119.38 2jg4 s VAL 778 Ca 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 2jg4 s VAL 778 Cb -0.10 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2jg4 s VAL 778 CO 0.07 0.31 -0.03 -0.47 0.00 0.00 0.00 175.10 174.98 2jg4 s TYR 779 N 1.10 3.04 -0.01 5.22 5.04 -0.60 -0.90 117.35 130.23 2jg4 s TYR 779 Ca -0.07 0.01 0.05 0.00 -2.44 0.00 0.00 57.07 54.61 2jg4 s TYR 779 Cb -0.14 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 2jg4 s TYR 779 CO -0.01 0.29 -0.15 -1.14 -1.34 0.00 0.00 175.55 173.21 2jg4 s GLN 780 N -0.55 1.21 0.26 4.97 0.74 -1.26 -1.00 119.66 124.03 2jg4 s GLN 780 Ca 0.09 -0.53 -0.10 0.00 0.05 0.00 0.00 55.36 54.87 2jg4 s GLN 780 Cb -0.12 -1.17 -0.01 0.00 1.10 0.00 0.00 33.01 32.82 2jg4 s GLN 780 CO 0.02 0.31 0.44 -0.65 -0.55 0.00 0.00 175.29 174.87 2jg4 s GLN 781 N -0.33 1.57 -0.06 1.67 -1.52 -0.03 -4.98 119.66 115.99 2jg4 s GLN 781 Ca 0.05 -1.36 0.05 0.00 -1.95 0.00 0.00 55.36 52.15 2jg4 s GLN 781 Cb -0.06 0.45 -0.01 0.00 -0.22 0.00 0.00 33.01 33.17 2jg4 s GLN 781 CO -0.00 -0.64 -0.21 0.50 -0.25 0.00 0.00 175.29 174.68 2jg4 s ARG 782 N -3.87 2.27 -0.02 2.91 3.52 -1.26 0.23 118.95 122.72 2jg4 s ARG 782 Ca 0.25 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 2jg4 s ARG 782 Cb 0.00 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.46 2jg4 s ARG 782 CO 0.11 0.29 0.95 1.21 -0.81 0.00 0.00 175.30 177.05 2jg4 s ASN 783 N 0.01 7.30 0.00 -2.12 2.47 -0.09 -4.89 114.94 117.63 2jg4 s ASN 783 Ca -0.06 1.58 0.25 0.00 0.42 0.00 0.00 52.86 55.06 2jg4 s ASN 783 Cb -0.13 -2.55 0.57 0.00 -1.45 0.00 0.00 41.25 37.69 2jg4 s ASN 783 CO 0.04 -0.27 1.45 -0.62 -3.72 0.00 0.00 177.10 173.98 2jg4 n GLU 784 N 4.05 0.91 -0.04 0.43 1.02 -1.26 -2.34 120.64 123.40 2jg4 n GLU 784 Ca 0.05 -0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 56.51 2jg4 n GLU 784 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2jg4 n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jg4 n VAL 785 N -0.53 0.48 -3.09 2.62 0.31 -1.26 -4.84 118.33 112.02 2jg4 n VAL 785 Ca 0.11 -0.11 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 2jg4 n VAL 785 Cb 0.37 -1.62 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.16 3.57 -0.30 3.52 3.76 -1.26 -4.84 115.29 117.58 2jg4 s HIS 786 Ca -0.12 1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 55.94 2jg4 s HIS 786 Cb 0.05 -2.76 0.01 0.00 1.11 0.00 0.00 32.58 30.98 2jg4 s HIS 786 CO 0.15 0.10 2.79 -1.71 -0.85 0.00 0.00 174.74 175.22 2jg4 n ASN 787 N 3.77 6.12 -4.26 1.40 5.15 -1.26 -1.06 115.26 125.12 2jg4 n ASN 787 Ca -0.02 -2.96 -0.14 0.00 -0.60 0.00 0.00 54.58 50.85 2jg4 n ASN 787 Cb 0.51 -1.24 -0.10 0.00 -0.53 0.00 0.00 39.78 38.42 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 0.80 1.07 0.20 1.20 0.01 -1.26 -4.81 114.94 112.15 2jg4 s ASN 788 Ca 0.52 -1.27 0.06 0.00 -0.71 0.00 0.00 52.86 51.46 2jg4 s ASN 788 Cb 0.32 0.17 -0.04 0.00 0.41 0.00 0.00 41.25 42.11 2jg4 s ASN 788 CO -0.12 -0.66 0.12 0.00 -1.51 0.00 0.00 177.10 174.93 2jg4 s GLY 790 N -3.30 0.94 -0.20 0.00 0.00 -0.40 -0.85 107.32 103.52 2jg4 s GLY 790 Ca 0.31 -1.39 -0.16 0.00 0.00 0.00 0.00 44.72 43.48 2jg4 s GLY 790 CO 0.23 -1.49 0.51 -1.50 0.00 0.00 0.00 173.10 170.85 2jg4 s ILE 791 N -3.21 -0.00 -0.05 0.90 2.07 -0.45 -0.87 121.20 119.57 2jg4 s ILE 791 Ca 0.13 0.02 0.06 0.00 -1.41 0.00 0.00 60.65 59.45 2jg4 s ILE 791 Cb 0.02 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 2jg4 s ILE 791 CO -0.01 0.01 -0.25 -0.70 -1.91 0.00 0.00 174.94 172.08 2jg4 s GLU 792 N 0.62 2.48 -0.12 3.50 2.12 -0.80 -1.72 118.70 124.78 2jg4 s GLU 792 Ca -0.03 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 54.43 2jg4 s GLU 792 Cb -0.05 -2.14 0.01 0.00 0.26 0.00 0.00 34.13 32.21 2jg4 s GLU 792 CO -0.04 0.41 -0.22 0.42 -0.54 0.00 0.00 175.26 175.29 2jg4 s ILE 793 N -0.23 1.99 -0.16 -3.70 1.01 -0.07 -0.42 121.20 119.62 2jg4 s ILE 793 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2jg4 s ILE 793 Cb -0.13 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.63 2jg4 s ILE 793 CO 0.03 0.54 -0.12 -0.47 0.00 0.00 0.00 174.94 174.92 2jg4 s TYR 794 N 0.58 2.21 -0.83 3.97 5.04 0.13 -1.19 117.35 127.26 2jg4 s TYR 794 Ca -0.13 -1.33 -0.13 0.00 -2.44 0.00 0.00 57.07 53.04 2jg4 s TYR 794 Cb -0.17 -1.59 0.22 0.00 0.35 0.00 0.00 41.96 40.77 2jg4 s TYR 794 CO 0.04 -0.69 0.76 0.71 -1.34 0.00 0.00 175.55 175.03 2jg4 s TYR 795 N 1.47 3.76 0.09 4.97 1.51 0.29 -1.53 117.35 127.91 2jg4 s TYR 795 Ca 0.03 -2.09 -0.31 0.00 -1.01 0.00 0.00 57.07 53.69 2jg4 s TYR 795 Cb -0.14 -3.77 -0.09 0.00 -0.11 0.00 0.00 41.96 37.85 2jg4 s TYR 795 CO -0.10 -0.98 1.71 -1.14 -1.11 0.00 0.00 175.55 173.94 2jg4 s GLN 796 N 0.06 4.18 0.00 -0.62 0.74 0.71 -1.32 119.66 123.41 2jg4 s GLN 796 Ca 0.19 2.42 0.00 0.00 0.05 0.00 0.00 55.36 58.02 2jg4 s GLN 796 Cb -0.11 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.42 2jg4 s GLN 796 CO -0.09 -0.77 0.00 0.25 -0.55 0.00 0.00 175.29 174.14 2jg4 n THR 797 N 4.70 0.00 -3.83 -0.34 -2.24 -0.31 -4.04 114.28 108.23 2jg4 n THR 797 Ca 0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 2jg4 n THR 797 Cb 0.40 -0.65 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.90 -1.95 -4.71 3.42 4.64 -1.20 -4.99 116.55 110.85 2jg4 n ASP 798 Ca 0.00 -2.59 -0.43 0.00 -1.38 0.00 0.00 54.79 50.39 2jg4 n ASP 798 Cb 0.00 3.32 -0.02 0.00 -1.04 0.00 0.00 41.12 43.38 2jg4 n ASP 798 CO 0.00 0.00 0.00 0.80 -0.82 0.00 0.00 177.20 177.18 2jg4 n MET 799 N -0.52 2.32 -1.75 -0.67 0.00 -1.26 -1.80 117.12 113.43 2jg4 n MET 799 Ca -0.06 0.82 -0.42 0.00 0.00 0.00 0.00 57.70 58.05 2jg4 n MET 799 Cb 0.56 -2.51 -0.01 0.00 0.00 0.00 0.00 33.22 31.27 2jg4 n MET 799 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2jg4 n GLN 800 N 1.58 2.58 -3.55 2.12 6.02 0.55 -4.83 117.38 121.84 2jg4 n GLN 800 Ca 0.08 0.91 -0.07 0.00 -0.01 0.00 0.00 57.00 57.91 2jg4 n GLN 800 Cb 0.35 -2.62 -0.02 0.00 1.02 0.00 0.00 30.24 28.96 2jg4 n GLN 800 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2jg4 s SER 801 N 0.00 -0.26 0.20 1.08 1.04 -1.26 -4.97 113.70 109.54 2jg4 s SER 801 Ca 0.57 0.04 -0.20 0.00 0.48 0.00 0.00 55.95 56.84 2jg4 s SER 801 Cb -0.50 0.26 0.16 0.00 0.10 0.00 0.00 66.02 66.04 2jg4 s SER 801 CO 0.60 -0.41 1.57 0.74 0.98 0.00 0.00 173.24 176.72 2jg4 h THR 802 N 2.06 0.09 0.26 2.02 2.02 -1.99 0.19 112.91 117.56 2jg4 h THR 802 Ca -0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2jg4 h THR 802 Cb 1.20 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2jg4 h THR 802 CO 0.27 0.00 -0.13 0.77 0.37 0.00 0.00 175.52 176.81 2jg4 h SER 803 N -0.10 -0.30 -0.56 4.18 4.64 -1.98 -2.71 113.55 116.72 2jg4 h SER 803 Ca 0.28 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.51 2jg4 h SER 803 Cb 0.57 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2jg4 h SER 803 CO -0.82 -0.02 0.25 -0.33 -0.87 0.00 0.00 176.83 175.05 2jg4 h GLU 804 N -0.59 0.46 -0.41 4.77 4.39 -1.73 -1.56 114.58 119.91 2jg4 h GLU 804 Ca -0.04 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.68 2jg4 h GLU 804 Cb 0.43 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2jg4 h GLU 804 CO 0.06 0.31 0.16 -0.91 -1.16 0.00 0.00 179.01 177.46 2jg4 h ASN 805 N 0.48 0.18 0.31 1.42 -0.26 -0.64 -2.76 115.58 114.32 2jg4 h ASN 805 Ca 0.26 0.04 -0.27 0.00 -0.56 0.00 0.00 56.30 55.78 2jg4 h ASN 805 Cb 0.24 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.53 2jg4 h ASN 805 CO -0.22 0.14 -1.14 0.24 -1.06 0.00 0.00 177.43 175.39 2jg4 h MET 806 N 0.33 0.47 -0.49 0.81 2.86 -1.14 -0.01 114.93 117.76 2jg4 h MET 806 Ca 0.19 -0.62 0.09 0.00 -2.06 0.00 0.00 59.70 57.30 2jg4 h MET 806 Cb 0.16 0.20 -0.10 0.00 0.06 0.00 0.00 31.60 31.91 2jg4 h MET 806 CO -0.18 1.25 -0.36 0.74 1.06 0.00 0.00 176.91 179.42 2jg4 h PHE 807 N 0.22 -1.02 -0.26 -0.22 0.05 -1.30 0.49 116.94 114.91 2jg4 h PHE 807 Ca -0.14 0.07 -0.03 0.00 3.82 0.00 0.00 57.97 61.69 2jg4 h PHE 807 Cb 1.81 0.52 -0.01 0.00 2.00 0.00 0.00 35.95 40.26 2jg4 h PHE 807 CO 0.08 -0.40 0.05 1.25 -0.18 0.00 0.00 178.31 179.12 2jg4 h LEU 808 N -0.23 0.40 -1.11 1.54 5.85 -1.32 -2.18 115.31 118.27 2jg4 h LEU 808 Ca 0.19 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2jg4 h LEU 808 Cb 0.55 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2jg4 h LEU 808 CO -0.62 0.55 0.12 -0.33 -0.34 0.00 0.00 178.44 177.83 2jg4 h GLU 809 N 0.24 0.76 -0.00 1.25 5.08 -0.73 -0.25 114.58 120.92 2jg4 h GLU 809 Ca 0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2jg4 h GLU 809 Cb 0.31 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2jg4 h GLU 809 CO 0.00 0.68 -0.00 1.25 -1.00 0.00 0.00 179.01 179.94 2jg4 h LEU 810 N 0.73 0.01 -0.38 1.33 6.46 -0.83 -0.55 115.31 122.08 2jg4 h LEU 810 Ca 0.16 -0.55 0.08 0.00 -0.12 0.00 0.00 57.88 57.46 2jg4 h LEU 810 Cb 0.27 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.11 2jg4 h LEU 810 CO -0.00 0.55 -0.17 0.15 -0.62 0.00 0.00 178.44 178.35 2jg4 h PHE 811 N -0.54 -0.42 -0.54 1.25 3.04 -1.29 0.34 116.94 118.77 2jg4 h PHE 811 Ca 0.00 0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.07 2jg4 h PHE 811 Cb 0.55 0.25 -0.07 0.00 2.56 0.00 0.00 35.95 39.24 2jg4 h PHE 811 CO 0.12 -0.25 0.18 0.00 -2.02 0.00 0.00 178.31 176.33 2jg4 h GLN 813 N 0.35 -0.47 0.17 0.00 5.75 -0.11 -0.76 115.11 120.04 2jg4 h GLN 813 Ca 0.27 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.82 2jg4 h GLN 813 Cb 0.32 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.94 2jg4 h GLN 813 CO -0.29 -0.31 -0.36 0.82 -2.65 0.00 0.00 178.83 176.04 2jg4 h ILE 814 N -0.49 0.24 0.00 2.39 2.04 -0.34 -2.62 117.51 118.74 2jg4 h ILE 814 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jg4 h ILE 814 Cb 0.54 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2jg4 h ILE 814 CO -0.20 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.25 2jg4 n ILE 815 N -5.45 0.75 0.01 -0.67 -5.35 -0.43 -4.41 119.36 103.81 2jg4 n ILE 815 Ca -0.07 0.14 -0.04 0.00 -0.27 0.00 0.00 62.75 62.50 2jg4 n ILE 815 Cb 0.36 -0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 37.29 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 0.00 -0.45 0.34 7.28 0.87 -0.73 0.21 113.55 121.07 2jg4 h SER 816 Ca 0.00 0.05 -0.28 0.00 -1.23 0.00 0.00 61.79 60.33 2jg4 h SER 816 Cb 0.39 0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2jg4 h SER 816 CO 0.00 -0.14 -1.19 1.05 -0.53 0.00 0.00 176.83 176.03 2jg4 h GLU 817 N -0.17 0.46 -0.96 2.24 -0.00 -1.79 -2.89 114.58 111.47 2jg4 h GLU 817 Ca 0.00 -0.63 0.28 0.00 -0.00 0.00 0.00 59.36 59.01 2jg4 h GLU 817 Cb 0.19 0.21 -0.14 0.00 -0.00 0.00 0.00 28.75 29.01 2jg4 h GLU 817 CO -0.10 1.27 0.45 -1.35 -0.00 0.00 0.00 179.01 179.27 2jg4 h PRO 818 N 0.20 0.30 -0.01 1.06 0.11 -1.77 0.33 132.00 132.23 2jg4 h PRO 818 Ca -0.15 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2jg4 h PRO 818 Cb 1.86 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.91 2jg4 h PRO 818 CO 0.21 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 2jg4 h PHE 820 N -0.01 0.86 -0.35 0.00 3.57 -0.85 -1.82 116.94 118.35 2jg4 h PHE 820 Ca 0.00 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 2jg4 h PHE 820 Cb 0.02 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 2jg4 h PHE 820 CO -0.07 0.74 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.60 2jg4 h ASN 821 N 0.74 0.76 0.51 0.41 -0.73 -0.35 -1.49 115.58 115.42 2jg4 h ASN 821 Ca 0.17 -0.41 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 2jg4 h ASN 821 Cb 0.28 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.67 2jg4 h ASN 821 CO -0.01 1.00 -0.24 0.74 -0.37 0.00 0.00 177.43 178.55 2jg4 h THR 822 N 0.51 0.19 -0.01 -3.57 2.02 -1.15 0.37 112.91 111.26 2jg4 h THR 822 Ca 0.08 -0.50 -0.22 0.00 0.77 0.00 0.00 66.41 66.54 2jg4 h THR 822 Cb 0.72 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2jg4 h THR 822 CO 0.05 0.04 -0.90 -0.07 0.37 0.00 0.00 175.52 175.01 2jg4 h LEU 823 N -1.10 0.49 0.00 2.58 4.07 -1.42 0.07 115.31 120.01 2jg4 h LEU 823 Ca -0.07 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2jg4 h LEU 823 Cb 0.58 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2jg4 h LEU 823 CO 0.11 1.17 -0.68 -1.14 -1.08 0.00 0.00 178.44 176.82 2jg4 n ARG 824 N -3.75 0.47 -0.02 1.13 0.63 -0.59 -2.05 116.66 112.47 2jg4 n ARG 824 Ca -0.06 0.40 -0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2jg4 n ARG 824 Cb 0.81 -1.57 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 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 -0.98 1.26 0.22 5.15 2.02 -1.08 0.10 112.91 119.61 2jg4 h THR 825 Ca 0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 2jg4 h THR 825 Cb 0.68 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2jg4 h THR 825 CO 0.00 0.23 -0.11 0.11 0.37 0.00 0.00 175.52 176.12 2jg4 h LYS 826 N -0.18 -0.29 0.00 6.66 1.79 -0.26 -3.39 116.57 120.90 2jg4 h LYS 826 Ca 0.02 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2jg4 h LYS 826 Cb 0.36 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2jg4 h LYS 826 CO 0.00 -0.19 0.00 0.93 -1.08 0.00 0.00 179.45 179.11 2jg4 h GLU 827 N -0.62 0.00 -6.40 3.15 5.08 -1.09 -3.48 114.58 111.22 2jg4 h GLU 827 Ca -0.03 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.85 2jg4 h GLU 827 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2jg4 h GLU 827 CO 0.05 0.00 -0.85 1.04 -1.00 0.00 0.00 179.01 178.25 2jg4 n GLN 828 N -2.57 -3.95 -0.13 2.33 1.13 0.36 -4.89 117.38 109.66 2jg4 n GLN 828 Ca 0.05 0.48 -0.10 0.00 -1.94 0.00 0.00 57.00 55.48 2jg4 n GLN 828 Cb 0.46 -4.87 -0.02 0.00 0.11 0.00 0.00 30.24 25.92 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 -1.84 0.61 0.00 1.08 3.38 -1.60 -3.48 115.31 113.47 2jg4 h LEU 829 Ca -0.62 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.07 2jg4 h LEU 829 Cb 1.37 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2jg4 h LEU 829 CO 0.63 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.52 2jg4 n GLY 830 N -0.42 0.52 0.36 0.83 0.00 -1.26 -3.95 105.19 101.28 2jg4 n GLY 830 Ca -0.01 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.26 2jg4 n GLY 830 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jg4 h PHE 831 N 0.00 1.14 -3.79 1.61 3.57 -1.84 -3.39 116.94 114.24 2jg4 h PHE 831 Ca 0.00 0.03 -0.66 0.00 3.53 0.00 0.00 57.97 60.87 2jg4 h PHE 831 Cb 0.00 -0.36 -0.18 0.00 2.79 0.00 0.00 35.95 38.20 2jg4 h PHE 831 CO 0.00 0.43 -0.48 0.42 -2.23 0.00 0.00 178.31 176.45 2jg4 s ILE 832 N -5.94 5.29 -0.15 1.41 1.01 -1.26 -5.03 121.20 116.53 2jg4 s ILE 832 Ca -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 2jg4 s ILE 832 Cb 0.23 -3.64 0.07 0.00 0.01 0.00 0.00 42.46 39.12 2jg4 s ILE 832 CO 0.81 0.10 0.17 -0.69 0.00 0.00 0.00 174.94 175.32 2jg4 s VAL 833 N 1.76 -0.24 0.03 2.92 1.01 -1.26 -1.76 120.40 122.86 2jg4 s VAL 833 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.16 2jg4 s VAL 833 Cb -0.17 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2jg4 s VAL 833 CO 0.11 -0.09 -0.16 0.12 0.00 0.00 0.00 175.10 175.08 2jg4 s PHE 834 N 2.27 1.40 0.29 5.22 5.36 0.22 -4.87 117.98 127.87 2jg4 s PHE 834 Ca 0.04 -0.34 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 2jg4 s PHE 834 Cb -0.14 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.65 2jg4 s PHE 834 CO -0.09 0.04 0.16 -1.54 -1.46 0.00 0.00 175.22 172.33 2jg4 s SER 835 N -1.00 1.36 0.00 6.13 1.04 -1.26 -1.41 113.70 118.56 2jg4 s SER 835 Ca 0.04 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2jg4 s SER 835 Cb -0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2jg4 s SER 835 CO 0.01 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2jg4 n GLY 836 N -0.54 1.64 3.77 7.32 0.00 -0.96 -4.99 105.19 111.44 2jg4 n GLY 836 Ca 0.02 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.28 3.87 -0.11 1.61 0.02 -1.26 -1.03 135.00 136.82 2jg4 s PRO 837 Ca 0.00 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 62.93 2jg4 s PRO 837 Cb 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 2jg4 s PRO 837 CO 0.00 -0.50 -0.09 0.50 -0.33 0.00 0.00 177.00 176.58 2jg4 s ARG 838 N -2.46 3.19 -0.10 5.54 3.52 0.12 -4.78 118.95 123.99 2jg4 s ARG 838 Ca 0.60 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2jg4 s ARG 838 Cb -0.32 -2.66 0.02 0.00 -1.56 0.00 0.00 34.95 30.43 2jg4 s ARG 838 CO 0.40 0.38 -0.06 1.03 -0.81 0.00 0.00 175.30 176.24 2jg4 s ARG 839 N -0.06 1.34 -0.16 5.12 3.00 -1.26 -1.42 118.95 125.50 2jg4 s ARG 839 Ca -0.01 -0.20 -0.13 0.00 0.00 0.00 0.00 55.73 55.40 2jg4 s ARG 839 Cb -0.14 -1.41 0.05 0.00 0.00 0.00 0.00 34.95 33.45 2jg4 s ARG 839 CO 0.03 -0.23 0.42 0.00 0.00 0.00 0.00 175.30 175.52 2jg4 s ALA 840 N 1.60 -1.05 -1.12 2.13 0.00 -0.65 -4.94 121.76 117.74 2jg4 s ALA 840 Ca 0.02 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2jg4 s ALA 840 Cb -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.21 2jg4 s ALA 840 CO -0.06 -0.22 0.00 0.09 0.00 0.00 0.00 175.76 175.57 2jg4 n ASN 841 N 3.39 -3.27 0.00 0.00 3.02 -1.26 0.01 115.26 117.16 2jg4 n ASN 841 Ca -0.17 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2jg4 n ASN 841 Cb 0.56 -2.98 0.00 0.00 -0.61 0.00 0.00 39.78 36.75 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 -0.44 0.68 3.96 7.41 0.00 -1.26 -4.63 105.19 110.91 2jg4 n GLY 842 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 3.22 0.24 -0.61 -1.09 0.10 -0.33 121.20 120.36 2jg4 s ILE 843 Ca 0.00 -1.12 -0.16 0.00 -2.23 0.00 0.00 60.65 57.14 2jg4 s ILE 843 Cb 0.00 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 2jg4 s ILE 843 CO 0.00 -0.06 0.55 0.00 -1.23 0.00 0.00 174.94 174.20 2jg4 s GLN 844 N -4.22 1.57 0.00 2.79 -2.07 -0.75 -1.64 119.66 115.34 2jg4 s GLN 844 Ca 0.50 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.94 2jg4 s GLN 844 Cb -0.08 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 2jg4 s GLN 844 CO 0.31 -0.67 0.00 0.41 -1.32 0.00 0.00 175.29 174.01 2jg4 n GLY 845 N -0.39 -1.18 3.78 2.60 0.00 -0.51 -1.16 105.19 108.33 2jg4 n GLY 845 Ca -0.04 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 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 4.27 0.04 0.99 0.20 -0.43 0.10 118.68 123.84 2jg4 s LEU 846 Ca 0.00 0.33 0.07 0.00 0.69 0.00 0.00 54.13 55.22 2jg4 s LEU 846 Cb 0.00 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.63 2jg4 s LEU 846 CO 0.00 0.25 -0.21 0.00 -0.29 0.00 0.00 176.35 176.10 2jg4 s ARG 847 N -0.10 1.43 -0.05 1.98 1.70 -0.19 -0.55 118.95 123.17 2jg4 s ARG 847 Ca 0.11 -0.91 0.06 0.00 -0.47 0.00 0.00 55.73 54.52 2jg4 s ARG 847 Cb -0.11 -1.52 -0.01 0.00 -0.57 0.00 0.00 34.95 32.73 2jg4 s ARG 847 CO 0.00 0.39 -0.24 -0.06 -1.08 0.00 0.00 175.30 174.32 2jg4 s PHE 848 N -0.76 2.33 -0.08 5.89 0.40 -0.34 -2.25 117.98 123.17 2jg4 s PHE 848 Ca 0.07 -0.67 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2jg4 s PHE 848 Cb -0.09 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2jg4 s PHE 848 CO 0.01 -0.20 -0.10 0.42 0.70 0.00 0.00 175.22 176.06 2jg4 s ILE 849 N -0.18 1.03 -0.00 0.64 1.01 -0.50 -0.89 121.20 122.32 2jg4 s ILE 849 Ca -0.02 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.26 2jg4 s ILE 849 Cb -0.13 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 2jg4 s ILE 849 CO 0.03 0.34 -0.02 -0.63 0.00 0.00 0.00 174.94 174.66 2jg4 s ILE 850 N 1.03 0.18 -0.14 2.92 1.01 -0.70 -0.61 121.20 124.90 2jg4 s ILE 850 Ca -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.49 2jg4 s ILE 850 Cb -0.15 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.16 2jg4 s ILE 850 CO -0.01 0.05 -0.16 -1.58 0.00 0.00 0.00 174.94 173.24 2jg4 s GLN 851 N -0.02 3.21 0.18 2.79 0.74 -0.72 -1.34 119.66 124.49 2jg4 s GLN 851 Ca 0.01 -0.76 -0.08 0.00 0.05 0.00 0.00 55.36 54.57 2jg4 s GLN 851 Cb -0.01 -2.57 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 2jg4 s GLN 851 CO -0.00 0.07 0.27 0.45 -0.55 0.00 0.00 175.29 175.54 2jg4 s SER 852 N 0.66 0.06 0.33 6.67 0.15 -0.03 -3.99 113.70 117.55 2jg4 s SER 852 Ca -0.08 -0.96 0.21 0.00 0.70 0.00 0.00 55.95 55.83 2jg4 s SER 852 Cb -0.16 0.44 0.18 0.00 -1.71 0.00 0.00 66.02 64.77 2jg4 s SER 852 CO 0.02 -0.91 1.39 -0.08 1.20 0.00 0.00 173.24 174.87 2jg4 h GLU 853 N 2.54 0.00 -6.99 5.44 4.81 -1.85 0.43 114.58 118.96 2jg4 h GLU 853 Ca -0.32 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.40 2jg4 h GLU 853 Cb 1.23 0.00 0.08 0.00 0.63 0.00 0.00 28.75 30.69 2jg4 h GLU 853 CO 0.48 0.09 0.53 0.15 -0.73 0.00 0.00 179.01 179.53 2jg4 s LYS 854 N -3.20 3.75 0.59 1.92 -0.14 -1.26 -4.75 119.74 116.66 2jg4 s LYS 854 Ca 0.04 1.93 -0.19 0.00 -1.36 0.00 0.00 55.97 56.39 2jg4 s LYS 854 Cb 0.07 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 2jg4 s LYS 854 CO 0.72 -0.60 1.27 -1.25 -0.76 0.00 0.00 175.35 174.73 2jg4 s PRO 855 N -2.57 2.92 0.26 -1.68 0.04 -1.26 -4.56 135.00 128.15 2jg4 s PRO 855 Ca 0.62 2.00 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 2jg4 s PRO 855 Cb -0.33 -2.01 0.41 0.00 0.04 0.00 0.00 34.50 32.62 2jg4 s PRO 855 CO 0.40 -1.29 1.85 -1.35 0.04 0.00 0.00 177.00 176.65 2jg4 h PRO 856 N 0.98 0.99 -0.53 0.56 0.11 -1.90 -2.13 132.00 130.08 2jg4 h PRO 856 Ca -0.51 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.57 2jg4 h PRO 856 Cb 1.31 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2jg4 h PRO 856 CO 0.55 0.65 0.35 1.12 -0.21 0.00 0.00 178.00 180.47 2jg4 h HIS 857 N 1.01 0.60 -0.12 0.65 2.07 -1.84 0.19 115.15 117.72 2jg4 h HIS 857 Ca 0.42 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.91 2jg4 h HIS 857 Cb 0.26 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 30.04 2jg4 h HIS 857 CO -0.02 0.36 -0.10 -0.92 -3.07 0.00 0.00 177.93 174.18 2jg4 h TYR 858 N 0.63 0.33 -0.74 6.12 3.20 -1.79 -3.05 116.97 121.68 2jg4 h TYR 858 Ca 0.21 -0.10 0.11 0.00 3.14 0.00 0.00 58.73 62.09 2jg4 h TYR 858 Cb 0.05 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 2jg4 h TYR 858 CO -0.00 0.68 0.36 -0.07 -1.64 0.00 0.00 178.16 177.48 2jg4 h LEU 859 N -0.10 0.44 -0.84 2.82 4.07 -0.72 -2.72 115.31 118.26 2jg4 h LEU 859 Ca 0.02 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2jg4 h LEU 859 Cb 0.61 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 2jg4 h LEU 859 CO 0.03 0.23 0.46 -0.08 -1.08 0.00 0.00 178.44 178.00 2jg4 h GLU 860 N 0.58 1.17 -0.35 1.13 4.81 -0.61 -1.90 114.58 119.40 2jg4 h GLU 860 Ca 0.38 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2jg4 h GLU 860 Cb 0.45 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2jg4 h GLU 860 CO -0.31 0.86 0.06 0.66 -0.73 0.00 0.00 179.01 179.55 2jg4 h SER 861 N 1.17 0.56 -0.91 1.04 4.64 -1.38 -1.82 113.55 116.85 2jg4 h SER 861 Ca 0.30 -0.26 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 2jg4 h SER 861 Cb 0.03 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 61.90 2jg4 h SER 861 CO -0.05 0.67 0.57 0.03 -0.87 0.00 0.00 176.83 177.18 2jg4 h ARG 862 N 0.42 0.98 -0.65 4.77 2.47 -1.23 0.85 114.38 122.00 2jg4 h ARG 862 Ca 0.11 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.70 2jg4 h ARG 862 Cb 0.35 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 2jg4 h ARG 862 CO 0.01 0.65 0.15 0.28 0.56 0.00 0.00 179.97 181.62 2jg4 h VAL 863 N 1.01 1.25 -0.02 2.04 2.07 -1.20 0.01 116.25 121.41 2jg4 h VAL 863 Ca 0.40 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.81 2jg4 h VAL 863 Cb 0.22 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2jg4 h VAL 863 CO -0.19 0.36 -0.75 -0.08 0.02 0.00 0.00 177.57 176.93 2jg4 h GLU 864 N 0.98 0.18 0.44 1.57 4.57 -0.15 -1.26 114.58 120.91 2jg4 h GLU 864 Ca 0.21 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2jg4 h GLU 864 Cb 0.36 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jg4 h GLU 864 CO 0.00 0.85 -0.21 0.00 -1.18 0.00 0.00 179.01 178.47 2jg4 h ALA 865 N 1.10 -0.58 -0.96 2.92 0.00 0.85 -2.94 119.26 119.65 2jg4 h ALA 865 Ca -0.02 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.88 2jg4 h ALA 865 Cb 1.32 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 19.25 2jg4 h ALA 865 CO 0.11 -0.72 0.61 0.35 0.00 0.00 0.00 179.25 179.60 2jg4 h PHE 866 N -0.81 0.91 0.00 0.00 3.57 -0.96 0.52 116.94 120.16 2jg4 h PHE 866 Ca -0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2jg4 h PHE 866 Cb 0.55 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2jg4 h PHE 866 CO 0.00 0.26 -0.07 1.25 -2.23 0.00 0.00 178.31 177.52 2jg4 h LEU 867 N 0.70 0.00 0.05 0.59 5.85 -1.10 -0.70 115.31 120.70 2jg4 h LEU 867 Ca 0.52 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.16 2jg4 h LEU 867 Cb 0.87 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.91 2jg4 h LEU 867 CO -0.28 0.07 -0.33 -0.29 -0.34 0.00 0.00 178.44 177.27 2jg4 h ILE 868 N 0.00 1.67 -0.90 4.05 2.10 -0.74 -3.05 117.51 120.63 2jg4 h ILE 868 Ca -0.00 -2.41 0.25 0.00 1.08 0.00 0.00 64.86 63.77 2jg4 h ILE 868 Cb 0.13 3.30 -0.15 0.00 -1.09 0.00 0.00 36.82 39.02 2jg4 h ILE 868 CO 0.01 0.64 0.26 0.74 -1.08 0.00 0.00 178.15 178.72 2jg4 h THR 869 N -0.77 0.29 -0.66 2.19 2.02 -1.03 -0.05 112.91 114.90 2jg4 h THR 869 Ca -0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2jg4 h THR 869 Cb 1.24 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2jg4 h THR 869 CO 0.05 0.04 0.35 0.24 0.37 0.00 0.00 175.52 176.57 2jg4 h MET 870 N 0.20 0.92 -0.01 6.66 2.86 -1.16 0.53 114.93 124.93 2jg4 h MET 870 Ca 0.58 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2jg4 h MET 870 Cb 1.20 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2jg4 h MET 870 CO -0.67 0.70 -0.06 1.49 1.06 0.00 0.00 176.91 179.44 2jg4 h GLU 871 N 0.90 -0.09 0.21 1.72 4.81 -0.90 0.13 114.58 121.36 2jg4 h GLU 871 Ca 0.23 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2jg4 h GLU 871 Cb 0.06 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2jg4 h GLU 871 CO -0.04 -0.06 -0.14 0.87 -0.73 0.00 0.00 179.01 178.92 2jg4 h LYS 872 N -0.09 -0.33 -1.06 1.92 1.57 -1.45 -0.98 116.57 116.15 2jg4 h LYS 872 Ca 0.03 0.02 0.29 0.00 -1.87 0.00 0.00 60.65 59.12 2jg4 h LYS 872 Cb 0.13 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 2jg4 h LYS 872 CO -0.07 -0.22 0.74 1.03 -0.57 0.00 0.00 179.45 180.36 2jg4 h SER 873 N -0.34 0.15 0.32 0.86 0.87 -0.33 0.61 113.55 115.68 2jg4 h SER 873 Ca -0.02 0.03 -0.33 0.00 -1.23 0.00 0.00 61.79 60.24 2jg4 h SER 873 Cb 0.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2jg4 h SER 873 CO 0.01 0.03 -1.72 0.40 -0.53 0.00 0.00 176.83 175.03 2jg4 h ILE 874 N 0.13 0.93 0.00 2.23 2.04 -0.46 -2.47 117.51 119.92 2jg4 h ILE 874 Ca 0.53 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.79 2jg4 h ILE 874 Cb 1.86 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 40.59 2jg4 h ILE 874 CO -0.10 0.81 0.00 -0.33 0.00 0.00 0.00 178.15 178.53 2jg4 h GLU 875 N 0.07 0.00 0.00 2.37 5.08 0.42 -3.13 114.58 119.38 2jg4 h GLU 875 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2jg4 h GLU 875 Cb 2.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2jg4 h GLU 875 CO 0.14 0.00 -1.01 -0.25 -1.00 0.00 0.00 179.01 176.88 2jg4 n ASP 876 N -2.52 1.54 -4.76 1.42 10.43 -0.10 -5.03 116.55 117.52 2jg4 n ASP 876 Ca -0.00 -0.36 -0.39 0.00 2.57 0.00 0.00 54.79 56.60 2jg4 n ASP 876 Cb 0.15 1.26 -0.04 0.00 1.84 0.00 0.00 41.12 44.33 2jg4 n ASP 876 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2jg4 s MET 877 N -2.39 4.49 0.71 -1.24 0.23 -0.93 -4.99 119.30 115.18 2jg4 s MET 877 Ca -0.00 1.78 -0.16 0.00 -1.03 0.00 0.00 55.69 56.27 2jg4 s MET 877 Cb 0.07 -3.02 0.02 0.00 -1.53 0.00 0.00 34.83 30.37 2jg4 s MET 877 CO 0.44 0.08 1.18 -2.37 -2.03 0.00 0.00 175.02 172.32 2jg4 n THR 878 N 0.85 3.63 -0.27 3.16 5.66 -1.26 -4.78 114.28 121.27 2jg4 n THR 878 Ca 0.00 -0.39 0.01 0.00 -3.05 0.00 0.00 64.05 60.62 2jg4 n THR 878 Cb 0.46 -1.31 0.13 0.00 -1.55 0.00 0.00 70.33 68.06 2jg4 n THR 878 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2jg4 h GLU 879 N -0.04 0.75 -0.57 1.09 4.22 -2.00 0.17 114.58 118.20 2jg4 h GLU 879 Ca -0.49 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 58.91 2jg4 h GLU 879 Cb 1.33 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2jg4 h GLU 879 CO 0.50 0.50 0.38 1.49 -2.18 0.00 0.00 179.01 179.69 2jg4 h GLU 880 N 0.77 0.75 -0.66 1.92 4.81 -2.00 -2.06 114.58 118.12 2jg4 h GLU 880 Ca 0.35 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2jg4 h GLU 880 Cb 0.26 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2jg4 h GLU 880 CO -0.21 0.50 0.44 0.00 -0.73 0.00 0.00 179.01 179.01 2jg4 h ALA 881 N 1.21 1.57 0.30 2.92 0.00 -1.63 -2.43 119.26 121.19 2jg4 h ALA 881 Ca 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jg4 h ALA 881 Cb -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2jg4 h ALA 881 CO -0.04 0.39 -0.14 0.35 0.00 0.00 0.00 179.25 179.80 2jg4 h PHE 882 N 0.86 -0.37 0.00 0.00 3.57 -0.62 -3.15 116.94 117.23 2jg4 h PHE 882 Ca 0.25 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2jg4 h PHE 882 Cb -0.04 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2jg4 h PHE 882 CO -0.00 -0.03 0.00 0.37 -2.23 0.00 0.00 178.31 176.42 2jg4 h GLN 883 N -0.82 0.00 0.00 1.11 5.75 -1.34 0.70 115.11 120.52 2jg4 h GLN 883 Ca -0.04 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 2jg4 h GLN 883 Cb 0.51 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2jg4 h GLN 883 CO 0.07 0.00 -0.45 -0.22 -2.65 0.00 0.00 178.83 175.58 2jg4 h LYS 884 N 0.00 0.00 0.08 1.69 3.64 -1.42 -1.42 116.57 119.14 2jg4 h LYS 884 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2jg4 h LYS 884 Cb 0.14 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2jg4 h LYS 884 CO 0.00 0.45 -0.44 0.45 -2.27 0.00 0.00 179.45 177.64 2jg4 h HIS 885 N 0.00 0.30 -0.81 1.91 3.86 -0.84 -2.64 115.15 116.93 2jg4 h HIS 885 Ca -0.00 -0.22 0.16 0.00 -1.16 0.00 0.00 60.37 59.15 2jg4 h HIS 885 Cb 0.94 -0.01 -0.10 0.00 1.06 0.00 0.00 27.41 29.30 2jg4 h HIS 885 CO 0.00 1.17 0.36 0.82 0.86 0.00 0.00 177.93 181.13 2jg4 h ILE 886 N -0.66 0.65 -0.37 2.45 2.04 -1.44 -0.73 117.51 119.45 2jg4 h ILE 886 Ca -0.08 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 2jg4 h ILE 886 Cb 1.35 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2jg4 h ILE 886 CO 0.08 0.09 0.12 -0.61 0.00 0.00 0.00 178.15 177.83 2jg4 h GLN 887 N 0.49 0.57 -0.44 2.37 5.75 -1.34 -1.32 115.11 121.19 2jg4 h GLN 887 Ca 0.45 -0.12 -0.09 0.00 -0.15 0.00 0.00 58.65 58.74 2jg4 h GLN 887 Cb 0.71 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 2jg4 h GLN 887 CO -0.41 0.58 -0.08 0.00 -2.65 0.00 0.00 178.83 176.27 2jg4 h ALA 888 N 0.96 1.03 -0.23 3.38 0.00 -0.96 -0.34 119.26 123.10 2jg4 h ALA 888 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2jg4 h ALA 888 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2jg4 h ALA 888 CO -0.00 0.59 0.02 1.25 0.00 0.00 0.00 179.25 181.10 2jg4 h LEU 889 N 0.70 0.39 -0.49 0.00 6.46 -1.11 -2.67 115.31 118.58 2jg4 h LEU 889 Ca 0.12 -0.28 0.08 0.00 -0.12 0.00 0.00 57.88 57.68 2jg4 h LEU 889 Cb 0.55 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.31 2jg4 h LEU 889 CO 0.03 0.57 0.10 0.00 -0.62 0.00 0.00 178.44 178.53 2jg4 h ALA 890 N 0.82 0.55 -0.15 1.25 0.00 -0.60 0.11 119.26 121.25 2jg4 h ALA 890 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2jg4 h ALA 890 Cb 0.37 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jg4 h ALA 890 CO 0.01 -0.31 -0.35 0.82 0.00 0.00 0.00 179.25 179.42 2jg4 h ILE 891 N 0.24 1.29 0.17 0.00 2.04 -1.08 -1.25 117.51 118.91 2jg4 h ILE 891 Ca 0.25 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 2jg4 h ILE 891 Cb 0.32 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2jg4 h ILE 891 CO -0.32 0.43 -0.08 0.03 0.00 0.00 0.00 178.15 178.21 2jg4 h ARG 892 N 0.27 -0.22 0.00 2.37 3.08 -0.98 -1.52 114.38 117.38 2jg4 h ARG 892 Ca 0.03 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.04 2jg4 h ARG 892 Cb 0.75 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2jg4 h ARG 892 CO 0.06 0.06 -0.27 0.00 -1.07 0.00 0.00 179.97 178.75 2jg4 h ARG 893 N -0.50 0.00 0.00 0.04 2.47 -0.94 -3.07 114.38 112.37 2jg4 h ARG 893 Ca -0.02 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2jg4 h ARG 893 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 2jg4 h ARG 893 CO 0.04 0.27 -1.09 1.28 0.56 0.00 0.00 179.97 181.03 2jg4 n LEU 894 N -3.90 0.60 -4.53 3.04 4.77 -0.48 -4.89 117.00 111.61 2jg4 n LEU 894 Ca -0.02 0.03 -0.50 0.00 -0.03 0.00 0.00 56.01 55.49 2jg4 n LEU 894 Cb 0.35 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2jg4 n LEU 894 CO 0.35 0.01 1.70 -0.67 -1.33 0.00 0.00 177.39 177.45 2jg4 n ASP 895 N -2.08 2.49 -4.77 -1.43 2.03 -0.57 -4.90 116.55 107.33 2jg4 n ASP 895 Ca 0.01 0.56 -0.38 0.00 0.52 0.00 0.00 54.79 55.50 2jg4 n ASP 895 Cb 0.46 -1.29 -0.05 0.00 -0.72 0.00 0.00 41.12 39.51 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 5.56 4.57 0.16 -0.67 -0.14 -1.26 -4.99 119.74 122.98 2jg4 s LYS 896 Ca 1.05 1.53 -0.33 0.00 -1.36 0.00 0.00 55.97 56.85 2jg4 s LYS 896 Cb -0.80 -2.96 -0.13 0.00 -1.68 0.00 0.00 37.83 32.25 2jg4 s LYS 896 CO 0.50 0.23 1.61 -0.35 -0.76 0.00 0.00 175.35 176.58 2jg4 n PRO 897 N 0.80 2.27 0.09 -1.68 -0.04 -1.26 -4.94 135.00 130.25 2jg4 n PRO 897 Ca 0.01 0.82 0.12 0.00 -0.04 0.00 0.00 63.50 64.41 2jg4 n PRO 897 Cb 0.48 -2.61 0.06 0.00 -0.04 0.00 0.00 33.50 31.39 2jg4 n PRO 897 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jg4 h LYS 898 N 6.19 0.00 -5.01 0.54 1.79 -1.94 -3.47 116.57 114.67 2jg4 h LYS 898 Ca -0.45 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 57.68 2jg4 h LYS 898 Cb 1.24 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.75 2jg4 h LYS 898 CO 0.90 0.00 -0.67 -1.59 -1.08 0.00 0.00 179.45 177.01 2jg4 s LYS 899 N -3.29 1.22 0.17 3.15 -2.85 -1.26 -4.25 119.74 112.63 2jg4 s LYS 899 Ca 0.02 -1.59 -0.14 0.00 -1.00 0.00 0.00 55.97 53.26 2jg4 s LYS 899 Cb 0.11 -0.53 0.10 0.00 -2.06 0.00 0.00 37.83 35.45 2jg4 s LYS 899 CO 0.76 -0.07 1.78 1.25 0.10 0.00 0.00 175.35 179.17 2jg4 h LEU 900 N 2.59 0.30 -1.38 2.77 5.85 -1.96 -2.86 115.31 120.62 2jg4 h LEU 900 Ca -0.38 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2jg4 h LEU 900 Cb 1.21 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2jg4 h LEU 900 CO 0.64 0.21 -0.31 0.77 -0.34 0.00 0.00 178.44 179.42 2jg4 h SER 901 N 0.43 0.00 -0.28 1.25 4.64 -1.97 -0.44 113.55 117.18 2jg4 h SER 901 Ca 0.20 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 2jg4 h SER 901 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2jg4 h SER 901 CO -0.15 0.31 -0.01 0.00 -0.87 0.00 0.00 176.83 176.11 2jg4 h ALA 902 N 1.69 0.38 -0.56 5.18 0.00 -1.93 -0.86 119.26 123.16 2jg4 h ALA 902 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 2jg4 h ALA 902 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jg4 h ALA 902 CO 0.04 0.13 -0.04 1.49 0.00 0.00 0.00 179.25 180.87 2jg4 h GLU 903 N 0.28 1.01 0.19 0.00 4.81 -1.20 -1.85 114.58 117.82 2jg4 h GLU 903 Ca 0.08 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2jg4 h GLU 903 Cb 0.44 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2jg4 h GLU 903 CO 0.02 1.02 -0.16 0.00 -0.73 0.00 0.00 179.01 179.16 2jg4 h ALA 905 N 0.41 1.67 0.28 0.00 0.00 -0.96 0.64 119.26 121.30 2jg4 h ALA 905 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2jg4 h ALA 905 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jg4 h ALA 905 CO -0.03 0.04 -0.14 -0.22 0.00 0.00 0.00 179.25 178.91 2jg4 h LYS 906 N 0.83 -0.37 -0.48 0.00 3.64 -1.10 -0.40 116.57 118.69 2jg4 h LYS 906 Ca 0.51 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.89 2jg4 h LYS 906 Cb 0.69 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 2jg4 h LYS 906 CO -0.28 -0.20 0.20 1.88 -2.27 0.00 0.00 179.45 178.79 2jg4 h TYR 907 N -0.45 0.72 -0.71 1.91 0.99 -0.51 -2.62 116.97 116.30 2jg4 h TYR 907 Ca -0.04 -0.05 0.11 0.00 2.00 0.00 0.00 58.73 60.75 2jg4 h TYR 907 Cb 0.34 -0.22 -0.05 0.00 1.00 0.00 0.00 36.73 37.81 2jg4 h TYR 907 CO -0.04 0.60 0.47 2.35 -0.00 0.00 0.00 178.16 181.54 2jg4 h TRP 908 N 0.64 0.57 -0.32 4.88 2.91 0.30 -0.80 115.95 124.12 2jg4 h TRP 908 Ca 0.16 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.23 2jg4 h TRP 908 Cb 0.18 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.61 2jg4 h TRP 908 CO 0.00 0.26 0.14 0.78 -1.03 0.00 0.00 178.44 178.58 2jg4 h GLY 909 N 0.52 0.42 1.44 2.65 0.00 -0.68 0.03 103.07 107.45 2jg4 h GLY 909 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 2jg4 h GLY 909 CO -0.11 0.06 0.05 0.83 0.00 0.00 0.00 176.54 177.37 2jg4 h GLU 910 N 0.30 0.70 0.07 4.80 4.39 -1.10 -2.52 114.58 121.22 2jg4 h GLU 910 Ca 0.14 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jg4 h GLU 910 Cb 0.08 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2jg4 h GLU 910 CO -0.12 0.68 -0.03 0.82 -1.16 0.00 0.00 179.01 179.20 2jg4 h ILE 911 N 0.67 1.22 -0.69 3.13 2.04 -0.94 0.44 117.51 123.37 2jg4 h ILE 911 Ca 0.14 -1.44 0.09 0.00 1.00 0.00 0.00 64.86 64.65 2jg4 h ILE 911 Cb 0.34 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.44 2jg4 h ILE 911 CO 0.01 0.33 0.34 0.40 0.00 0.00 0.00 178.15 179.23 2jg4 h ILE 912 N -0.79 0.85 0.00 -0.67 1.08 -1.04 0.17 117.51 117.11 2jg4 h ILE 912 Ca -0.01 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2jg4 h ILE 912 Cb 0.62 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2jg4 h ILE 912 CO 0.02 0.11 0.00 -1.54 -0.69 0.00 0.00 178.15 176.04 2jg4 n SER 913 N -4.87 0.00 -2.21 1.72 3.41 -0.95 -4.88 113.62 105.85 2jg4 n SER 913 Ca 0.10 0.46 -0.18 0.00 -0.26 0.00 0.00 58.87 59.00 2jg4 n SER 913 Cb 0.26 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.48 -1.76 -0.04 4.33 6.02 0.59 -4.87 117.38 120.16 2jg4 n GLN 914 Ca 0.05 0.91 -0.09 0.00 -0.01 0.00 0.00 57.00 57.86 2jg4 n GLN 914 Cb 0.23 -5.48 -0.14 0.00 1.02 0.00 0.00 30.24 25.86 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 -2.77 0.65 -2.01 -1.09 6.02 -0.49 -4.02 117.38 113.68 2jg4 n GLN 915 Ca -0.21 0.23 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 2jg4 n GLN 915 Cb 0.64 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 30.12 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 -3.00 -0.55 -2.78 1.08 4.02 0.02 -2.67 117.16 113.28 2jg4 n TYR 916 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.25 2jg4 n TYR 916 Cb 1.07 -3.65 0.00 0.00 -0.02 0.00 0.00 39.34 36.75 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 -1.66 5.53 0.28 7.72 5.15 -1.26 -4.73 115.26 126.28 2jg4 n ASN 917 Ca -0.22 -3.15 0.15 0.00 -0.60 0.00 0.00 54.58 50.76 2jg4 n ASN 917 Cb 0.67 -1.43 0.78 0.00 -0.53 0.00 0.00 39.78 39.27 2jg4 n ASN 917 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 2jg4 h PHE 918 N 6.09 0.00 -0.68 1.20 0.04 -1.97 -0.99 116.94 120.63 2jg4 h PHE 918 Ca 0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.07 2jg4 h PHE 918 Cb 0.71 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.86 2jg4 h PHE 918 CO 1.09 0.08 0.00 -3.47 -0.60 0.00 0.00 178.31 175.41 2jg4 n ASP 919 N -3.37 4.53 -0.40 2.17 4.64 -1.26 -4.72 116.55 118.15 2jg4 n ASP 919 Ca -0.01 -2.31 -0.05 0.00 -1.38 0.00 0.00 54.79 51.04 2jg4 n ASP 919 Cb 0.25 -0.56 -0.02 0.00 -1.04 0.00 0.00 41.12 39.75 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 4.20 -0.00 -0.78 -0.67 2.43 -1.57 -2.19 114.38 115.80 2jg4 h ARG 920 Ca 0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 2jg4 h ARG 920 Cb 1.31 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.76 2jg4 h ARG 920 CO 0.16 -0.00 0.26 -0.44 -1.51 0.00 0.00 179.97 178.45 2jg4 h ASP 921 N -0.00 0.17 0.25 -3.80 3.32 -1.84 0.35 116.42 114.86 2jg4 h ASP 921 Ca 0.27 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2jg4 h ASP 921 Cb 0.52 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2jg4 h ASP 921 CO -0.97 0.02 -0.12 0.78 -1.72 0.00 0.00 179.24 177.23 2jg4 h ASN 922 N 0.36 -0.28 -0.58 6.45 -0.26 -1.78 -1.73 115.58 117.75 2jg4 h ASN 922 Ca 0.44 -0.24 0.12 0.00 -0.56 0.00 0.00 56.30 56.06 2jg4 h ASN 922 Cb 0.75 0.07 -0.09 0.00 -1.06 0.00 0.00 38.32 37.99 2jg4 h ASN 922 CO -0.48 0.14 0.05 0.74 -1.06 0.00 0.00 177.43 176.82 2jg4 h THR 923 N -0.76 0.57 -0.17 2.81 2.02 -1.32 0.16 112.91 116.22 2jg4 h THR 923 Ca -0.03 -0.06 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 2jg4 h THR 923 Cb 0.50 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2jg4 h THR 923 CO 0.06 0.03 -0.70 -0.33 0.37 0.00 0.00 175.52 174.94 2jg4 h GLU 924 N 0.16 0.73 -0.21 6.66 5.08 -0.98 -1.75 114.58 124.27 2jg4 h GLU 924 Ca 0.31 -0.55 -0.16 0.00 -1.00 0.00 0.00 59.36 57.95 2jg4 h GLU 924 Cb 0.48 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2jg4 h GLU 924 CO -0.46 1.17 -0.54 0.28 -1.00 0.00 0.00 179.01 178.46 2jg4 h VAL 925 N 0.51 1.31 0.38 3.13 2.07 -0.94 0.39 116.25 123.11 2jg4 h VAL 925 Ca -0.03 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 2jg4 h VAL 925 Cb 1.31 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2jg4 h VAL 925 CO 0.14 0.56 -0.36 0.00 0.02 0.00 0.00 177.57 177.92 2jg4 h ALA 926 N 0.94 -0.79 -0.96 1.67 0.00 -0.60 -2.62 119.26 116.90 2jg4 h ALA 926 Ca 0.01 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2jg4 h ALA 926 Cb 1.09 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.33 2jg4 h ALA 926 CO 0.10 -0.98 0.62 -0.92 0.00 0.00 0.00 179.25 178.07 2jg4 h TYR 927 N -0.76 1.15 -0.69 0.00 3.20 -1.27 -2.81 116.97 115.78 2jg4 h TYR 927 Ca -0.03 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.02 2jg4 h TYR 927 Cb 0.68 -0.38 -0.12 0.00 1.54 0.00 0.00 36.73 38.45 2jg4 h TYR 927 CO -0.20 0.61 -0.06 1.25 -1.64 0.00 0.00 178.16 178.13 2jg4 h LEU 928 N 1.14 -0.44 -2.08 2.82 6.46 -0.56 -1.02 115.31 121.64 2jg4 h LEU 928 Ca 0.40 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.35 2jg4 h LEU 928 Cb 0.11 0.36 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 2jg4 h LEU 928 CO -0.16 -0.18 -0.02 0.11 -0.62 0.00 0.00 178.44 177.57 2jg4 h LYS 929 N 0.07 0.00 -0.06 1.25 1.57 -1.21 -0.42 116.57 117.77 2jg4 h LYS 929 Ca 0.36 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 2jg4 h LYS 929 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2jg4 h LYS 929 CO -0.65 0.02 -0.13 1.15 -0.57 0.00 0.00 179.45 179.27 2jg4 h THR 930 N 0.00 1.13 -2.87 -0.16 2.02 -1.26 -3.45 112.91 108.32 2jg4 h THR 930 Ca -0.00 -0.59 -0.53 0.00 0.77 0.00 0.00 66.41 66.06 2jg4 h THR 930 Cb 0.31 1.24 0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2jg4 h THR 930 CO 0.00 0.18 0.84 -0.76 0.37 0.00 0.00 175.52 176.15 2jg4 s LEU 931 N -8.75 4.36 0.34 2.58 1.02 -0.17 -5.02 118.68 113.05 2jg4 s LEU 931 Ca -0.05 2.44 0.02 0.00 0.02 0.00 0.00 54.13 56.57 2jg4 s LEU 931 Cb 0.16 -3.58 -0.02 0.00 0.02 0.00 0.00 46.19 42.76 2jg4 s LEU 931 CO 0.71 -0.76 0.51 0.42 0.02 0.00 0.00 176.35 177.25 2jg4 s THR 932 N 1.49 4.84 0.33 5.49 -4.23 -1.26 -5.00 115.64 117.31 2jg4 s THR 932 Ca 0.68 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2jg4 s THR 932 Cb -0.39 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 69.98 2jg4 s THR 932 CO 0.31 -0.42 1.95 0.50 -0.54 0.00 0.00 174.62 176.41 2jg4 h LYS 933 N 0.81 0.90 -0.49 3.99 3.64 -1.99 -2.20 116.57 121.23 2jg4 h LYS 933 Ca -0.49 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 2jg4 h LYS 933 Cb 1.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2jg4 h LYS 933 CO 0.60 0.60 0.14 1.49 -2.27 0.00 0.00 179.45 180.00 2jg4 h GLU 934 N 0.93 0.77 -0.54 1.90 4.81 -1.98 -2.95 114.58 117.52 2jg4 h GLU 934 Ca 0.33 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 59.49 2jg4 h GLU 934 Cb 0.12 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 2jg4 h GLU 934 CO -0.10 0.73 0.07 -0.44 -0.73 0.00 0.00 179.01 178.54 2jg4 h ASP 935 N 0.66 -0.09 -0.29 1.04 3.32 -1.79 -0.82 116.42 118.46 2jg4 h ASP 935 Ca 0.16 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 2jg4 h ASP 935 Cb 0.29 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2jg4 h ASP 935 CO -0.00 -0.02 0.09 0.40 -1.72 0.00 0.00 179.24 177.99 2jg4 h ILE 936 N 0.19 1.17 0.17 0.35 1.08 -1.44 -2.35 117.51 116.68 2jg4 h ILE 936 Ca 0.28 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 2jg4 h ILE 936 Cb 0.41 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2jg4 h ILE 936 CO -0.40 0.21 -0.08 0.40 -0.69 0.00 0.00 178.15 177.59 2jg4 h ILE 937 N 0.52 0.96 -0.25 -0.67 1.08 -1.00 -0.86 117.51 117.28 2jg4 h ILE 937 Ca 0.12 -0.73 0.05 0.00 -0.39 0.00 0.00 64.86 63.91 2jg4 h ILE 937 Cb 0.19 1.40 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 2jg4 h ILE 937 CO -0.00 0.17 -0.41 0.11 -0.69 0.00 0.00 178.15 177.32 2jg4 h LYS 938 N -0.59 -0.40 -0.55 2.37 1.79 -1.28 0.74 116.57 118.66 2jg4 h LYS 938 Ca -0.02 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.55 2jg4 h LYS 938 Cb 0.44 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.08 2jg4 h LYS 938 CO 0.04 -0.26 -0.48 0.35 -1.08 0.00 0.00 179.45 178.01 2jg4 h PHE 939 N -0.41 -1.45 -0.58 -1.35 3.57 -1.41 0.28 116.94 115.58 2jg4 h PHE 939 Ca 0.11 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.77 2jg4 h PHE 939 Cb 0.60 0.71 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 2jg4 h PHE 939 CO -0.54 -0.44 0.23 -0.92 -2.23 0.00 0.00 178.31 174.41 2jg4 h TYR 940 N -0.27 0.41 -0.39 0.41 5.03 -0.40 0.10 116.97 121.86 2jg4 h TYR 940 Ca 0.14 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.37 2jg4 h TYR 940 Cb 0.57 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.74 2jg4 h TYR 940 CO -0.73 0.13 -0.22 0.87 -1.32 0.00 0.00 178.16 176.88 2jg4 h LYS 941 N 0.43 0.77 0.00 1.82 1.57 0.15 0.24 116.57 121.54 2jg4 h LYS 941 Ca 0.29 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2jg4 h LYS 941 Cb 0.32 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2jg4 h LYS 941 CO -0.27 0.92 -0.64 1.49 -0.57 0.00 0.00 179.45 180.38 2jg4 h GLU 942 N 0.67 0.00 0.00 3.15 4.81 0.13 -3.37 114.58 119.97 2jg4 h GLU 942 Ca 0.09 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 2jg4 h GLU 942 Cb 0.73 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2jg4 h GLU 942 CO 0.06 0.64 -1.45 -1.33 -0.73 0.00 0.00 179.01 176.20 2jg4 n MET 943 N -3.30 0.20 -0.05 1.92 2.81 0.30 -2.34 117.12 116.67 2jg4 n MET 943 Ca 0.01 0.05 -0.06 0.00 -1.81 0.00 0.00 57.70 55.89 2jg4 n MET 943 Cb 0.78 -1.15 -0.05 0.00 -0.71 0.00 0.00 33.22 32.09 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 -2.75 2.05 -4.55 4.03 4.77 0.62 -3.83 117.00 117.34 2jg4 n LEU 944 Ca -0.14 -0.04 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 2jg4 n LEU 944 Cb 0.65 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2jg4 n LEU 944 CO 0.08 0.52 0.36 0.00 -1.33 0.00 0.00 177.39 177.01 2jg4 n ALA 945 N -2.64 -0.47 -0.50 -1.18 0.00 0.06 -4.82 120.51 110.98 2jg4 n ALA 945 Ca -0.16 0.12 0.42 0.00 0.00 0.00 0.00 53.44 53.83 2jg4 n ALA 945 Cb 0.71 -1.97 0.76 0.00 0.00 0.00 0.00 19.45 18.96 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 0.92 0.22 -0.87 0.00 3.04 -1.94 0.28 116.25 117.90 2jg4 h VAL 946 Ca -0.44 -0.01 -0.51 0.00 -1.01 0.00 0.00 66.70 64.72 2jg4 h VAL 946 Cb 1.37 0.19 -0.42 0.00 -2.01 0.00 0.00 31.29 30.41 2jg4 h VAL 946 CO 0.53 0.00 -0.85 -0.90 -1.01 0.00 0.00 177.57 175.34 2jg4 n ASP 947 N -4.15 4.35 -4.74 3.17 3.85 -1.26 -5.04 116.55 112.72 2jg4 n ASP 947 Ca 0.35 -3.50 -0.41 0.00 -0.71 0.00 0.00 54.79 50.52 2jg4 n ASP 947 Cb 1.57 -0.39 -0.04 0.00 -1.35 0.00 0.00 41.12 40.92 2jg4 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2jg4 s ALA 948 N -3.60 3.42 0.37 2.12 0.00 0.08 -4.93 121.76 119.23 2jg4 s ALA 948 Ca 0.47 0.93 0.12 0.00 0.00 0.00 0.00 51.96 53.48 2jg4 s ALA 948 Cb 0.40 -3.38 0.92 0.00 0.00 0.00 0.00 23.12 21.06 2jg4 s ALA 948 CO -0.02 -0.30 1.83 -1.00 0.00 0.00 0.00 175.76 176.28 2jg4 h PRO 949 N 4.73 0.56 -0.33 0.00 0.13 -1.76 -2.89 132.00 132.44 2jg4 h PRO 949 Ca -0.45 -0.03 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 2jg4 h PRO 949 Cb 1.21 -0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.12 2jg4 h PRO 949 CO 0.72 0.37 -0.10 0.54 -0.23 0.00 0.00 178.00 179.30 2jg4 n ARG 950 N -4.60 1.84 -1.96 0.86 1.74 -0.99 -3.86 116.66 109.70 2jg4 n ARG 950 Ca 0.21 -3.19 -0.42 0.00 -0.77 0.00 0.00 57.85 53.67 2jg4 n ARG 950 Cb 0.63 -1.81 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 -3.24 4.21 -0.44 5.56 3.52 -1.09 -4.66 118.95 122.81 2jg4 s ARG 951 Ca 0.44 2.30 0.03 0.00 -0.13 0.00 0.00 55.73 58.38 2jg4 s ARG 951 Cb 0.40 -3.46 0.12 0.00 -1.56 0.00 0.00 34.95 30.45 2jg4 s ARG 951 CO -0.01 -0.67 0.18 -1.01 -0.81 0.00 0.00 175.30 172.98 2jg4 s HIS 952 N 2.15 3.04 -0.17 5.12 3.76 -1.26 -0.95 115.29 126.98 2jg4 s HIS 952 Ca 0.72 -2.89 0.01 0.00 -0.15 0.00 0.00 55.06 52.75 2jg4 s HIS 952 Cb -0.40 -2.61 0.01 0.00 1.11 0.00 0.00 32.58 30.69 2jg4 s HIS 952 CO 0.31 -0.82 -0.17 0.21 -0.85 0.00 0.00 174.74 173.42 2jg4 s LYS 953 N 0.33 3.11 0.01 1.40 2.20 -1.02 -0.21 119.74 125.55 2jg4 s LYS 953 Ca 0.15 -0.79 0.08 0.00 -0.36 0.00 0.00 55.97 55.05 2jg4 s LYS 953 Cb -0.23 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.46 2jg4 s LYS 953 CO -0.04 -0.10 -0.26 0.08 -0.36 0.00 0.00 175.35 174.67 2jg4 s VAL 954 N 1.07 2.07 -0.04 4.02 1.01 -0.58 -1.53 120.40 126.41 2jg4 s VAL 954 Ca -0.01 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.79 2jg4 s VAL 954 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2jg4 s VAL 954 CO -0.06 0.49 -0.11 -0.44 0.00 0.00 0.00 175.10 174.98 2jg4 s SER 955 N -0.85 1.53 -0.20 3.32 0.01 0.18 -0.70 113.70 117.00 2jg4 s SER 955 Ca 0.11 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 57.08 2jg4 s SER 955 Cb -0.10 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 2jg4 s SER 955 CO 0.00 0.07 -0.05 -0.69 0.41 0.00 0.00 173.24 172.98 2jg4 s VAL 956 N 0.33 3.40 -0.24 3.43 1.01 0.43 -1.56 120.40 127.21 2jg4 s VAL 956 Ca -0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 2jg4 s VAL 956 Cb -0.11 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2jg4 s VAL 956 CO 0.02 0.44 0.01 -1.00 0.00 0.00 0.00 175.10 174.57 2jg4 s HIS 957 N 1.25 3.03 -0.27 5.22 3.76 -0.17 -1.90 115.29 126.21 2jg4 s HIS 957 Ca 0.03 -0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 2jg4 s HIS 957 Cb -0.14 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.40 2jg4 s HIS 957 CO -0.02 -0.50 -0.00 0.08 -0.85 0.00 0.00 174.74 173.45 2jg4 s VAL 958 N 1.52 3.30 0.46 -0.90 1.01 -0.05 -0.85 120.40 124.88 2jg4 s VAL 958 Ca 0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2jg4 s VAL 958 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2jg4 s VAL 958 CO -0.00 0.13 0.81 -0.76 0.00 0.00 0.00 175.10 175.28 2jg4 s LEU 959 N 1.39 3.68 0.52 3.92 1.43 0.14 -1.28 118.68 128.48 2jg4 s LEU 959 Ca 0.01 1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 54.01 2jg4 s LEU 959 Cb -0.17 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 41.96 2jg4 s LEU 959 CO -0.02 -0.52 1.01 0.00 0.23 0.00 0.00 176.35 177.05 2jg4 s ALA 960 N -2.61 2.95 0.18 4.21 0.00 -1.22 -0.91 121.76 124.37 2jg4 s ALA 960 Ca 0.50 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 2jg4 s ALA 960 Cb -0.10 -3.17 0.19 0.00 0.00 0.00 0.00 23.12 20.03 2jg4 s ALA 960 CO 0.39 -0.34 1.25 -2.13 0.00 0.00 0.00 175.76 174.93 2jg4 n ARG 961 N -1.45 -0.19 0.00 0.00 0.63 -0.22 -1.37 116.66 114.06 2jg4 n ARG 961 Ca 0.08 1.24 0.14 0.00 -0.92 0.00 0.00 57.85 58.39 2jg4 n ARG 961 Cb 0.53 -1.84 0.63 0.00 0.45 0.00 0.00 32.46 32.24 2jg4 n ARG 961 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jg4 n GLU 962 N -5.18 0.84 0.00 -0.14 -0.58 -1.26 -4.97 120.64 109.35 2jg4 n GLU 962 Ca 0.08 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 2jg4 n GLU 962 Cb 0.32 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2jg4 n GLU 962 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2jg4 n MET 963 N -0.82 2.83 -0.19 3.49 2.81 -0.47 -5.19 117.12 119.57 2jg4 n MET 963 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jg4 n MET 963 Cb 0.27 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.78 2jg4 n MET 963 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2jg4 n SER 965 N 0.00 -0.52 0.00 7.83 3.41 -1.26 -4.85 113.62 118.23 2jg4 n SER 965 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jg4 n SER 965 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.26 2.44 0.08 0.00 0.04 -1.26 -5.00 135.00 130.05 2jg4 s PRO 967 Ca 0.00 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.18 2jg4 s PRO 967 Cb 0.00 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2jg4 s PRO 967 CO 0.00 -1.64 0.91 1.33 0.04 0.00 0.00 177.00 177.64 2jg4 n VAL 968 N -2.19 0.28 -4.34 -0.36 0.24 -1.26 -4.56 118.33 106.15 2jg4 n VAL 968 Ca 0.15 -0.40 -0.17 0.00 -2.04 0.00 0.00 64.34 61.87 2jg4 n VAL 968 Cb 0.49 -0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.74 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 -3.32 0.87 0.00 3.34 1.01 -1.26 -4.70 120.40 116.34 2jg4 s VAL 969 Ca -0.00 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 59.97 2jg4 s VAL 969 Cb 0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 34.03 2jg4 s VAL 969 CO 0.82 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.34 2jg4 n GLY 970 N -0.46 4.25 0.00 4.51 0.00 -1.26 -4.99 105.19 107.25 2jg4 n GLY 970 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -4.23 1.61 6.94 -1.26 -5.10 115.26 113.22 2jg4 n ASN 979 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.18 2jg4 n ASN 979 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 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 4.66 0.22 -4.53 1.43 -1.26 -5.07 118.68 114.13 2jg4 s LEU 980 Ca 0.00 -1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 51.40 2jg4 s LEU 980 Cb 0.00 -1.87 -0.16 0.00 0.03 0.00 0.00 46.19 44.18 2jg4 s LEU 980 CO 0.00 -0.42 0.63 -1.54 0.23 0.00 0.00 176.35 175.25 2jg4 n SER 981 N 4.78 -0.69 -5.01 2.29 3.41 -1.26 -4.98 113.62 112.16 2jg4 n SER 981 Ca -0.10 1.14 -0.18 0.00 -0.26 0.00 0.00 58.87 59.47 2jg4 n SER 981 Cb 0.43 -1.02 0.03 0.00 -0.26 0.00 0.00 64.21 63.39 2jg4 n SER 981 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jg4 s GLN 982 N -1.11 2.63 0.48 4.33 1.03 -1.26 -4.93 119.66 120.83 2jg4 s GLN 982 Ca 0.63 -1.35 -0.04 0.00 0.04 0.00 0.00 55.36 54.64 2jg4 s GLN 982 Cb -0.88 -2.71 -0.03 0.00 0.03 0.00 0.00 33.01 29.42 2jg4 s GLN 982 CO 0.57 -0.49 0.77 0.00 -2.54 0.00 0.00 175.29 173.59 2jg4 s ALA 983 N -2.48 3.45 0.68 2.60 0.00 -1.26 -4.81 121.76 119.93 2jg4 s ALA 983 Ca 0.57 -0.61 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 2jg4 s ALA 983 Cb -0.09 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2jg4 s ALA 983 CO 0.35 -0.37 1.05 -1.25 0.00 0.00 0.00 175.76 175.55 2jg4 s PRO 984 N -4.71 3.12 0.24 0.00 0.04 -1.26 -4.98 135.00 127.45 2jg4 s PRO 984 Ca 0.47 0.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 2jg4 s PRO 984 Cb -0.10 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 2jg4 s PRO 984 CO 0.43 -0.93 1.20 0.00 0.04 0.00 0.00 177.00 177.74 2jg4 s ALA 985 N -3.13 3.45 0.06 8.56 0.00 -1.26 -4.99 121.76 124.45 2jg4 s ALA 985 Ca 0.57 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.58 2jg4 s ALA 985 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 2jg4 s ALA 985 CO 0.54 -0.38 -0.01 -0.51 0.00 0.00 0.00 175.76 175.41 2jg4 s LEU 986 N -0.85 3.45 1.02 0.00 1.43 -1.26 -5.11 118.68 117.36 2jg4 s LEU 986 Ca 0.50 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 53.36 2jg4 s LEU 986 Cb -0.34 -2.11 0.20 0.00 0.03 0.00 0.00 46.19 43.97 2jg4 s LEU 986 CO 0.41 0.21 1.09 -2.84 0.23 0.00 0.00 176.35 175.45 2jg4 s PRO 987 N -2.02 0.20 -0.05 1.29 0.02 -1.26 -4.97 135.00 128.21 2jg4 s PRO 987 Ca 0.23 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 2jg4 s PRO 987 Cb -0.12 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.71 2jg4 s PRO 987 CO 0.15 -3.08 1.28 -1.14 -0.33 0.00 0.00 177.00 173.88 2jg4 s GLN 988 N -4.58 4.31 0.48 5.54 2.00 -1.26 -5.02 119.66 121.13 2jg4 s GLN 988 Ca 0.67 1.77 -0.11 0.00 -2.00 0.00 0.00 55.36 55.69 2jg4 s GLN 988 Cb -0.23 -3.60 -0.06 0.00 0.80 0.00 0.00 33.01 29.92 2jg4 s GLN 988 CO 0.61 -0.53 0.87 -1.25 -0.50 0.00 0.00 175.29 174.49 2jg4 s PRO 989 N 2.48 3.76 -0.15 1.67 0.04 -1.26 -4.95 135.00 136.60 2jg4 s PRO 989 Ca 0.59 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 2jg4 s PRO 989 Cb -0.27 -2.27 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2jg4 s PRO 989 CO 0.23 -0.21 1.02 -2.00 0.04 0.00 0.00 177.00 176.07 2jg4 s GLU 990 N -4.25 4.36 -0.27 4.56 2.12 -0.63 -4.91 118.70 119.69 2jg4 s GLU 990 Ca 0.53 1.38 -0.23 0.00 0.36 0.00 0.00 54.97 57.01 2jg4 s GLU 990 Cb -0.10 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.70 2jg4 s GLU 990 CO 0.37 -0.43 0.77 0.08 -0.54 0.00 0.00 175.26 175.51 2jg4 s VAL 991 N 2.44 4.85 -0.09 3.70 1.01 -1.26 -1.64 120.40 129.41 2jg4 s VAL 991 Ca 0.47 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 2jg4 s VAL 991 Cb -0.17 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2jg4 s VAL 991 CO 0.14 -0.11 1.51 -0.63 0.00 0.00 0.00 175.10 176.00 2jg4 s ILE 992 N 2.81 3.83 -0.13 2.22 1.01 -0.08 -4.88 121.20 125.98 2jg4 s ILE 992 Ca 0.32 1.02 0.19 0.00 0.00 0.00 0.00 60.65 62.17 2jg4 s ILE 992 Cb -0.15 -3.65 -0.25 0.00 0.01 0.00 0.00 42.46 38.41 2jg4 s ILE 992 CO 0.09 -0.09 0.36 1.67 0.00 0.00 0.00 174.94 176.98 2jg4 n GLN 993 N 6.89 0.67 -3.62 2.79 -0.06 -1.26 -4.64 117.38 118.15 2jg4 n GLN 993 Ca 0.16 -0.01 -0.14 0.00 -2.00 0.00 0.00 57.00 55.02 2jg4 n GLN 993 Cb 0.43 -1.59 -0.13 0.00 -4.06 0.00 0.00 30.24 24.90 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 -5.29 0.47 0.25 1.69 3.84 -1.26 -5.05 114.94 109.59 2jg4 s ASN 994 Ca -0.08 0.47 -0.04 0.00 0.21 0.00 0.00 52.86 53.42 2jg4 s ASN 994 Cb 0.09 0.70 0.36 0.00 -0.55 0.00 0.00 41.25 41.85 2jg4 s ASN 994 CO 0.85 -0.26 1.86 0.24 -2.79 0.00 0.00 177.10 177.00 2jg4 h MET 995 N 8.28 0.99 -0.14 0.43 2.86 -2.00 -0.54 114.93 124.81 2jg4 h MET 995 Ca -0.15 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2jg4 h MET 995 Cb 1.12 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 2jg4 h MET 995 CO 0.16 0.65 -0.00 1.15 1.06 0.00 0.00 176.91 179.93 2jg4 h THR 996 N 1.02 1.25 -0.73 2.22 2.02 -1.97 -2.56 112.91 114.17 2jg4 h THR 996 Ca 0.39 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.77 2jg4 h THR 996 Cb 0.19 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 68.08 2jg4 h THR 996 CO -0.18 0.25 0.45 -0.33 0.37 0.00 0.00 175.52 176.08 2jg4 h GLU 997 N -0.01 0.86 -0.06 6.66 5.08 -1.88 -0.88 114.58 124.36 2jg4 h GLU 997 Ca 0.04 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2jg4 h GLU 997 Cb 0.37 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2jg4 h GLU 997 CO 0.01 0.57 -0.19 0.35 -1.00 0.00 0.00 179.01 178.74 2jg4 h PHE 998 N 0.88 -0.51 -0.16 4.33 3.57 -1.04 -2.07 116.94 121.95 2jg4 h PHE 998 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 2jg4 h PHE 998 Cb 0.03 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2jg4 h PHE 998 CO -0.04 -0.27 0.09 0.87 -2.23 0.00 0.00 178.31 176.72 2jg4 h LYS 999 N -0.28 0.22 -0.98 1.11 1.57 -1.10 -3.01 116.57 114.09 2jg4 h LYS 999 Ca 0.07 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2jg4 h LYS 999 Cb 0.39 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.57 2jg4 h LYS 999 CO -0.22 0.22 0.61 0.00 -0.57 0.00 0.00 179.45 179.48 2jg4 h ARG 1000N 0.16 0.90 -0.92 3.15 3.08 -0.99 -1.75 114.38 118.00 2jg4 h ARG 1000Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2jg4 h ARG 1000Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2jg4 h ARG 1000CO -0.01 0.59 0.04 0.41 -1.07 0.00 0.00 179.97 179.93 2jg4 n GLY 1001N -1.34 2.05 3.05 0.04 0.00 -0.80 -4.84 105.19 103.36 2jg4 n GLY 1001Ca 0.19 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.71 2.34 0.78 0.99 1.43 -0.66 -5.06 118.68 117.80 2jg4 s LEU 1002Ca 0.13 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 2jg4 s LEU 1002Cb 0.11 0.04 0.06 0.00 0.03 0.00 0.00 46.19 46.42 2jg4 s LEU 1002CO 0.04 -0.37 1.09 -2.84 0.23 0.00 0.00 176.35 174.49 2jg4 s PRO 1003N -2.41 2.22 -0.08 1.29 0.02 -1.26 -4.86 135.00 129.92 2jg4 s PRO 1003Ca -0.05 0.78 0.00 0.00 0.02 0.00 0.00 61.00 61.75 2jg4 s PRO 1003Cb -0.04 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 2jg4 s PRO 1003CO -0.03 -1.56 -0.08 -0.51 -0.33 0.00 0.00 177.00 174.49 2jg4 s LEU 1004N -5.78 3.08 0.97 -5.54 1.43 -1.26 0.34 118.68 111.92 2jg4 s LEU 1004Ca 0.60 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 2jg4 s LEU 1004Cb -0.15 -1.68 0.15 0.00 0.03 0.00 0.00 46.19 44.54 2jg4 s LEU 1004CO 0.55 0.31 0.95 0.49 0.23 0.00 0.00 176.35 178.88 2jg4 n PHE 1005N 2.56 0.06 -0.88 0.29 3.01 -0.34 -4.82 117.46 117.34 2jg4 n PHE 1005Ca -0.18 0.29 -0.30 0.00 1.01 0.00 0.00 57.45 58.27 2jg4 n PHE 1005Cb 0.53 -1.90 0.24 0.00 -0.01 0.00 0.00 39.48 38.33 2jg4 n PHE 1005CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2jg4 s PRO 1006N -4.38 -1.29 -0.04 -1.08 0.02 -1.26 -4.71 135.00 122.26 2jg4 s PRO 1006Ca 0.65 0.18 -0.11 0.00 0.02 0.00 0.00 61.00 61.74 2jg4 s PRO 1006Cb -0.23 -1.57 -0.05 0.00 0.02 0.00 0.00 34.50 32.68 2jg4 s PRO 1006CO 0.61 -3.80 0.29 -0.51 -0.33 0.00 0.00 177.00 173.26 2jg4 s LEU 1007N -7.09 4.43 0.66 -5.54 1.02 -1.26 -4.82 118.68 106.07 2jg4 s LEU 1007Ca 0.69 0.74 -0.17 0.00 0.02 0.00 0.00 54.13 55.40 2jg4 s LEU 1007Cb -0.14 -2.40 -0.00 0.00 0.02 0.00 0.00 46.19 43.66 2jg4 s LEU 1007CO 0.58 0.35 1.25 -0.69 0.02 0.00 0.00 176.35 177.85 2jg4 s VAL 1008N -1.09 2.26 0.09 -1.59 1.01 -1.26 -5.01 120.40 114.81 2jg4 s VAL 1008Ca 0.21 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2jg4 s VAL 1008Cb -0.14 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 2jg4 s VAL 1008CO 0.10 -0.04 0.38 -0.54 0.00 0.00 0.00 175.10 175.00 2jg4 s LYS 1009N -3.51 3.71 1.18 2.72 1.02 -1.26 -5.00 119.74 118.60 2jg4 s LYS 1009Ca 0.79 0.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.70 2jg4 s LYS 1009Cb -0.33 -2.97 0.21 0.00 -0.52 0.00 0.00 37.83 34.22 2jg4 s LYS 1009CO 0.39 0.55 0.42 -2.30 -0.92 0.00 0.00 175.35 173.50 2jg4 n PRO 1010N 0.75 -2.54 0.00 -1.68 -0.02 -1.26 -4.83 135.00 125.41 2jg4 n PRO 1010Ca -0.07 -0.74 0.14 0.00 -2.02 0.00 0.00 63.50 60.81 2jg4 n PRO 1010Cb 0.52 -1.79 0.47 0.00 -0.02 0.00 0.00 33.50 32.69 2jg4 n PRO 1010CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06