#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jg1 n SER -1 N 0.00 0.22 -4.56 1.61 3.41 -1.26 -5.04 113.62 108.00 2jg1 n SER -1 Ca 0.00 -0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 57.66 2jg1 n SER -1 Cb 0.00 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2jg1 n SER -1 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2jg1 s HIS 0 N -1.21 1.89 -0.01 7.33 2.46 -1.26 -3.06 115.29 121.43 2jg1 s HIS 0 Ca 0.00 0.56 0.04 0.00 0.47 0.00 0.00 55.06 56.13 2jg1 s HIS 0 Cb 0.00 -4.25 -0.01 0.00 -0.13 0.00 0.00 32.58 28.19 2jg1 s HIS 0 CO 0.00 -2.25 -0.14 0.42 -2.47 0.00 0.00 174.74 170.30 2jg1 s ILE 2 N 7.79 1.13 -0.19 0.89 1.01 -0.31 -4.70 121.20 126.82 2jg1 s ILE 2 Ca 0.59 -0.61 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 2jg1 s ILE 2 Cb -0.12 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2jg1 s ILE 2 CO 0.21 0.32 0.04 -0.22 0.00 0.00 0.00 174.94 175.28 2jg1 s LEU 3 N -0.32 3.57 0.01 2.97 2.96 0.11 -1.17 118.68 126.80 2jg1 s LEU 3 Ca 0.05 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2jg1 s LEU 3 Cb -0.06 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2jg1 s LEU 3 CO -0.00 0.13 0.10 0.42 -1.32 0.00 0.00 176.35 175.67 2jg1 s THR 4 N 0.65 4.81 -0.13 3.68 -4.23 -0.58 -0.63 115.64 119.22 2jg1 s THR 4 Ca 0.02 -0.42 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2jg1 s THR 4 Cb -0.14 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2jg1 s THR 4 CO 0.02 0.32 -0.20 -0.76 -0.54 0.00 0.00 174.62 173.45 2jg1 s LEU 5 N -1.86 2.25 -0.42 4.79 1.43 -0.02 -0.79 118.68 124.05 2jg1 s LEU 5 Ca 0.24 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2jg1 s LEU 5 Cb -0.12 -1.48 0.13 0.00 0.03 0.00 0.00 46.19 44.75 2jg1 s LEU 5 CO 0.16 0.12 0.22 -0.89 0.23 0.00 0.00 176.35 176.18 2jg1 s THR 6 N 0.62 1.36 -0.23 5.49 2.01 -0.33 -3.22 115.64 121.35 2jg1 s THR 6 Ca -0.11 -2.43 0.26 0.00 0.31 0.00 0.00 61.69 59.72 2jg1 s THR 6 Cb -0.16 -1.96 0.34 0.00 0.01 0.00 0.00 72.50 70.72 2jg1 s THR 6 CO 0.03 -0.87 1.73 -0.07 -0.69 0.00 0.00 174.62 174.75 2jg1 h LEU 7 N 6.89 0.00 -5.67 4.42 3.38 -1.82 -3.16 115.31 119.35 2jg1 h LEU 7 Ca -0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 2jg1 h LEU 7 Cb 0.94 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.28 2jg1 h LEU 7 CO 0.48 0.04 -0.78 -3.20 0.09 0.00 0.00 178.44 175.07 2jg1 n ASN 8 N -3.12 3.26 -4.42 -0.43 5.15 -1.26 -4.24 115.26 110.20 2jg1 n ASN 8 Ca 0.03 -3.42 -0.29 0.00 -0.60 0.00 0.00 54.58 50.29 2jg1 n ASN 8 Cb 0.47 -0.60 0.16 0.00 -0.53 0.00 0.00 39.78 39.28 2jg1 n ASN 8 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jg1 s PRO 9 N -2.89 0.64 0.08 1.20 0.04 -1.26 -4.80 135.00 128.01 2jg1 s PRO 9 Ca 0.44 -0.01 -0.15 0.00 0.04 0.00 0.00 61.00 61.33 2jg1 s PRO 9 Cb 0.26 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 33.02 2jg1 s PRO 9 CO -0.10 -2.48 0.35 -1.54 0.04 0.00 0.00 177.00 173.27 2jg1 s SER 10 N -4.32 -0.16 -0.50 6.66 1.04 -0.64 -4.37 113.70 111.41 2jg1 s SER 10 Ca 0.68 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.67 2jg1 s SER 10 Cb -0.10 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.49 2jg1 s SER 10 CO 0.53 -0.73 0.56 -0.69 0.98 0.00 0.00 173.24 173.90 2jg1 s VAL 11 N -3.17 4.97 -0.15 5.02 1.01 -0.10 0.68 120.40 128.65 2jg1 s VAL 11 Ca -0.01 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 2jg1 s VAL 11 Cb 0.01 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2jg1 s VAL 11 CO -0.07 -0.75 0.55 -1.81 0.00 0.00 0.00 175.10 173.02 2jg1 s ASP 12 N 2.68 6.69 -0.15 3.32 1.01 -0.27 -1.77 116.67 128.18 2jg1 s ASP 12 Ca 0.12 0.82 -0.03 0.00 0.71 0.00 0.00 52.55 54.18 2jg1 s ASP 12 Cb -0.21 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2jg1 s ASP 12 CO 0.10 -0.13 -0.07 -0.63 0.21 0.00 0.00 175.17 174.66 2jg1 s ILE 13 N 1.23 3.61 -0.18 0.77 1.01 0.95 -1.31 121.20 127.28 2jg1 s ILE 13 Ca 0.27 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 2jg1 s ILE 13 Cb -0.16 -2.57 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2jg1 s ILE 13 CO 0.11 0.50 -0.10 -0.55 0.00 0.00 0.00 174.94 174.90 2jg1 s SER 14 N 0.40 4.00 -0.37 3.58 0.15 -0.48 -0.98 113.70 120.00 2jg1 s SER 14 Ca -0.06 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.20 2jg1 s SER 14 Cb -0.15 -1.64 0.10 0.00 -1.71 0.00 0.00 66.02 62.62 2jg1 s SER 14 CO 0.04 0.06 0.11 -0.31 1.20 0.00 0.00 173.24 174.34 2jg1 s TYR 15 N 0.96 3.67 -0.15 3.44 1.51 -0.16 -3.10 117.35 123.52 2jg1 s TYR 15 Ca -0.02 -2.72 -0.26 0.00 -1.01 0.00 0.00 57.07 53.07 2jg1 s TYR 15 Cb -0.15 -3.03 -0.01 0.00 -0.11 0.00 0.00 41.96 38.66 2jg1 s TYR 15 CO -0.01 -0.96 0.88 -1.25 -1.11 0.00 0.00 175.55 173.10 2jg1 s PRO 16 N 1.02 4.33 0.09 -1.71 0.04 -1.26 -0.49 135.00 137.01 2jg1 s PRO 16 Ca 0.09 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.33 2jg1 s PRO 16 Cb -0.21 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 2jg1 s PRO 16 CO -0.06 -0.32 -0.22 -0.51 0.04 0.00 0.00 177.00 175.93 2jg1 s LEU 17 N 2.10 2.26 0.10 -3.56 1.43 0.15 -4.94 118.68 116.22 2jg1 s LEU 17 Ca 0.41 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 2jg1 s LEU 17 Cb -0.17 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.02 2jg1 s LEU 17 CO 0.14 0.11 1.58 0.74 0.23 0.00 0.00 176.35 179.14 2jg1 h THR 18 N 4.14 1.23 -3.79 5.49 2.02 -1.97 -3.38 112.91 116.65 2jg1 h THR 18 Ca -0.46 -0.78 -0.31 0.00 0.77 0.00 0.00 66.41 65.63 2jg1 h THR 18 Cb 1.17 1.19 -0.29 0.00 -1.74 0.00 0.00 68.15 68.48 2jg1 h THR 18 CO 0.41 0.25 -0.75 0.00 0.37 0.00 0.00 175.52 175.81 2jg1 s ALA 19 N -5.20 0.32 -0.49 6.16 0.00 -1.26 -3.79 121.76 117.51 2jg1 s ALA 19 Ca -0.13 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 2jg1 s ALA 19 Cb 0.08 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.12 2jg1 s ALA 19 CO 0.74 0.05 0.71 -1.17 0.00 0.00 0.00 175.76 176.10 2jg1 s LEU 20 N 0.11 4.56 -0.40 0.00 2.96 -1.26 -5.03 118.68 119.62 2jg1 s LEU 20 Ca -0.01 -0.52 -0.20 0.00 -0.22 0.00 0.00 54.13 53.18 2jg1 s LEU 20 Cb -0.04 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.99 2jg1 s LEU 20 CO -0.00 -0.93 0.61 -0.54 -1.32 0.00 0.00 176.35 174.17 2jg1 s LYS 21 N 3.04 3.43 0.31 1.98 1.02 -1.26 -5.03 119.74 123.23 2jg1 s LYS 21 Ca 0.22 -0.24 -0.28 0.00 0.02 0.00 0.00 55.97 55.69 2jg1 s LYS 21 Cb -0.15 -3.89 -0.09 0.00 -0.52 0.00 0.00 37.83 33.17 2jg1 s LYS 21 CO 0.17 -0.87 1.02 -0.51 -0.92 0.00 0.00 175.35 174.24 2jg1 s LEU 22 N 2.69 4.44 -1.60 3.17 1.43 -1.26 -3.34 118.68 124.22 2jg1 s LEU 22 Ca 0.22 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.35 2jg1 s LEU 22 Cb -0.15 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2jg1 s LEU 22 CO 0.17 -0.14 0.42 -0.67 0.23 0.00 0.00 176.35 176.36 2jg1 n ASP 23 N 0.85 -5.99 -3.63 2.29 2.03 -1.26 -4.96 116.55 105.88 2jg1 n ASP 23 Ca 0.01 -0.20 -0.12 0.00 0.52 0.00 0.00 54.79 55.00 2jg1 n ASP 23 Cb 0.47 -4.87 -0.05 0.00 -0.72 0.00 0.00 41.12 35.96 2jg1 n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jg1 s ASP 24 N -2.52 0.34 -0.11 1.67 2.15 -1.21 -5.15 116.67 111.83 2jg1 s ASP 24 Ca 0.21 -1.21 -0.18 0.00 0.43 0.00 0.00 52.55 51.81 2jg1 s ASP 24 Cb -0.09 0.62 -0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2jg1 s ASP 24 CO 0.26 -1.22 0.46 -0.69 -0.17 0.00 0.00 175.17 173.80 2jg1 s VAL 25 N -3.51 5.18 -0.23 1.11 1.01 -1.26 -4.92 120.40 117.78 2jg1 s VAL 25 Ca 0.26 0.91 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 2jg1 s VAL 25 Cb -0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2jg1 s VAL 25 CO 0.14 0.35 -0.09 0.20 0.00 0.00 0.00 175.10 175.70 2jg1 s ASN 26 N 0.49 4.07 -0.13 3.32 0.01 -1.26 -4.95 114.94 116.49 2jg1 s ASN 26 Ca 0.25 -0.81 -0.16 0.00 -0.71 0.00 0.00 52.86 51.43 2jg1 s ASN 26 Cb -0.15 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.84 2jg1 s ASN 26 CO 0.10 -0.09 0.40 -0.13 -1.51 0.00 0.00 177.10 175.87 2jg1 s ARG 27 N 1.32 4.30 0.08 -0.60 0.52 -1.26 -5.08 118.95 118.23 2jg1 s ARG 27 Ca 0.01 0.31 0.10 0.00 -0.52 0.00 0.00 55.73 55.63 2jg1 s ARG 27 Cb -0.16 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 2jg1 s ARG 27 CO -0.06 0.20 -0.27 0.14 0.02 0.00 0.00 175.30 175.33 2jg1 s VAL 28 N 0.53 2.18 -0.00 3.52 -7.23 -1.26 -5.03 120.40 113.11 2jg1 s VAL 28 Ca 0.22 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2jg1 s VAL 28 Cb -0.14 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 2jg1 s VAL 28 CO 0.08 0.24 -0.00 0.00 -0.31 0.00 0.00 175.10 175.11 2jg1 n GLN 29 N 1.39 2.79 -3.42 4.82 3.00 -1.26 -4.92 117.38 119.78 2jg1 n GLN 29 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.39 2jg1 n GLN 29 Cb 0.52 -1.01 -0.02 0.00 0.00 0.00 0.00 30.24 29.73 2jg1 n GLN 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2jg1 s GLU 30 N -2.01 3.86 -0.12 -1.09 0.41 -1.26 -5.03 118.70 113.45 2jg1 s GLU 30 Ca -0.00 -3.10 -0.04 0.00 -0.41 0.00 0.00 54.97 51.42 2jg1 s GLU 30 Cb 0.00 -4.38 -0.04 0.00 -1.78 0.00 0.00 34.13 27.94 2jg1 s GLU 30 CO 0.02 -1.25 0.04 0.54 -0.49 0.00 0.00 175.26 174.11 2jg1 s VAL 31 N -1.03 4.59 -0.19 2.63 0.11 -1.26 -4.57 120.40 120.69 2jg1 s VAL 31 Ca 0.28 -0.13 -0.03 0.00 -2.93 0.00 0.00 61.98 59.16 2jg1 s VAL 31 Cb -0.10 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 2jg1 s VAL 31 CO -0.09 0.56 -0.05 -0.55 -3.33 0.00 0.00 175.10 171.65 2jg1 s SER 32 N -0.48 4.48 -0.14 3.54 0.15 -1.18 -5.01 113.70 115.06 2jg1 s SER 32 Ca 0.09 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.48 2jg1 s SER 32 Cb -0.12 -1.75 0.01 0.00 -1.71 0.00 0.00 66.02 62.46 2jg1 s SER 32 CO 0.02 0.07 -0.19 -0.54 1.20 0.00 0.00 173.24 173.80 2jg1 s LYS 33 N 0.95 2.76 0.16 5.44 1.02 -1.26 -1.38 119.74 127.42 2jg1 s LYS 33 Ca -0.00 -0.76 0.07 0.00 0.02 0.00 0.00 55.97 55.30 2jg1 s LYS 33 Cb -0.15 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 2jg1 s LYS 33 CO 0.01 -0.07 -0.14 0.95 -0.92 0.00 0.00 175.35 175.17 2jg1 s THR 34 N 0.97 1.51 -0.61 2.17 -4.23 -0.43 -4.94 115.64 110.09 2jg1 s THR 34 Ca -0.04 -1.93 -0.28 0.00 -1.18 0.00 0.00 61.69 58.26 2jg1 s THR 34 Cb -0.15 -1.77 0.02 0.00 1.34 0.00 0.00 72.50 71.95 2jg1 s THR 34 CO -0.04 -0.48 1.31 0.00 -0.54 0.00 0.00 174.62 174.87 2jg1 s ALA 35 N -2.49 2.85 0.30 3.99 0.00 -1.26 -1.11 121.76 124.04 2jg1 s ALA 35 Ca 0.15 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2jg1 s ALA 35 Cb -0.03 -4.12 -0.02 0.00 0.00 0.00 0.00 23.12 18.95 2jg1 s ALA 35 CO 0.04 -2.95 0.38 0.20 0.00 0.00 0.00 175.76 173.44 2jg1 s GLY 36 N 3.81 1.48 0.00 0.00 0.00 0.21 -4.84 107.32 107.98 2jg1 s GLY 36 Ca 0.45 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2jg1 s GLY 36 CO 0.23 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.56 2jg1 n GLY 37 N -1.49 4.53 0.27 0.20 0.00 -1.26 -1.62 105.19 105.83 2jg1 n GLY 37 Ca -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 2jg1 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jg1 h LYS 38 N 0.00 0.71 0.00 1.61 1.79 -1.90 -1.56 116.57 117.23 2jg1 h LYS 38 Ca 0.00 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2jg1 h LYS 38 Cb 0.00 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 2jg1 h LYS 38 CO 0.00 0.47 -0.18 0.78 -1.08 0.00 0.00 179.45 179.44 2jg1 h GLY 39 N 0.73 0.00 1.97 3.86 0.00 -1.79 -1.73 103.07 106.12 2jg1 h GLY 39 Ca 0.32 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.45 2jg1 h GLY 39 CO -0.19 0.00 -0.98 1.41 0.00 0.00 0.00 176.54 176.78 2jg1 h LEU 40 N 0.00 0.03 -0.11 3.11 3.38 -1.63 -2.01 115.31 118.08 2jg1 h LEU 40 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jg1 h LEU 40 Cb 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jg1 h LEU 40 CO 0.02 0.99 0.01 0.78 0.09 0.00 0.00 178.44 180.33 2jg1 h ASN 41 N 0.01 -0.01 -0.66 -0.43 2.35 -0.68 -1.46 115.58 114.69 2jg1 h ASN 41 Ca -0.02 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2jg1 h ASN 41 Cb 1.72 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 40.06 2jg1 h ASN 41 CO 0.13 0.01 0.33 0.58 -1.65 0.00 0.00 177.43 176.83 2jg1 h VAL 42 N 0.05 0.87 -0.12 2.81 2.07 -1.28 -2.49 116.25 118.17 2jg1 h VAL 42 Ca 0.05 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 2jg1 h VAL 42 Cb 0.05 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2jg1 h VAL 42 CO -0.07 0.11 0.07 0.74 0.02 0.00 0.00 177.57 178.43 2jg1 h THR 43 N 0.58 1.08 -0.53 2.57 2.02 -1.13 -1.71 112.91 115.79 2jg1 h THR 43 Ca 0.32 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.30 2jg1 h THR 43 Cb 0.31 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2jg1 h THR 43 CO -0.25 0.07 0.35 0.03 0.37 0.00 0.00 175.52 176.10 2jg1 h ARG 44 N 0.11 0.70 -0.33 6.66 3.08 -1.03 -0.40 114.38 123.17 2jg1 h ARG 44 Ca 0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2jg1 h ARG 44 Cb 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2jg1 h ARG 44 CO -0.01 0.47 0.07 0.28 -1.07 0.00 0.00 179.97 179.71 2jg1 h VAL 45 N 0.72 1.22 -0.25 2.04 2.07 -1.40 -0.22 116.25 120.44 2jg1 h VAL 45 Ca 0.19 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2jg1 h VAL 45 Cb -0.08 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2jg1 h VAL 45 CO -0.04 0.25 -0.03 -0.07 0.02 0.00 0.00 177.57 177.70 2jg1 h LEU 46 N 0.37 -0.16 -0.70 2.57 3.38 -1.15 -1.33 115.31 118.29 2jg1 h LEU 46 Ca 0.10 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.25 2jg1 h LEU 46 Cb 0.31 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2jg1 h LEU 46 CO 0.00 -0.05 0.30 0.00 0.09 0.00 0.00 178.44 178.78 2jg1 h ALA 47 N 1.23 0.95 -0.70 1.53 0.00 -0.88 -2.03 119.26 119.36 2jg1 h ALA 47 Ca 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jg1 h ALA 47 Cb 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jg1 h ALA 47 CO -0.23 -0.15 0.42 1.96 0.00 0.00 0.00 179.25 181.26 2jg1 h GLN 48 N 0.49 0.95 0.00 0.00 4.20 -0.40 -1.78 115.11 118.56 2jg1 h GLN 48 Ca 0.36 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2jg1 h GLN 48 Cb 0.46 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jg1 h GLN 48 CO -0.33 0.67 0.00 0.28 -0.67 0.00 0.00 178.83 178.78 2jg1 n VAL 49 N -4.39 0.06 -0.61 -0.54 0.31 -0.56 -4.92 118.33 107.67 2jg1 n VAL 49 Ca 0.07 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2jg1 n VAL 49 Cb 0.07 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 2jg1 n VAL 49 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jg1 n GLY 50 N 1.41 0.67 3.76 2.92 0.00 -0.67 -5.06 105.19 108.22 2jg1 n GLY 50 Ca 0.07 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2jg1 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jg1 s GLU 51 N -0.65 4.59 -0.02 1.61 0.41 -0.83 -5.00 118.70 118.81 2jg1 s GLU 51 Ca 0.00 1.63 -0.30 0.00 -0.41 0.00 0.00 54.97 55.89 2jg1 s GLU 51 Cb 0.00 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.26 2jg1 s GLU 51 CO 0.00 0.22 1.32 -2.14 -0.49 0.00 0.00 175.26 174.17 2jg1 s PRO 52 N -1.65 4.31 -0.01 0.39 0.02 -1.26 -4.38 135.00 132.42 2jg1 s PRO 52 Ca 0.47 1.85 -0.03 0.00 0.02 0.00 0.00 61.00 63.31 2jg1 s PRO 52 Cb -0.27 -3.56 -0.00 0.00 0.02 0.00 0.00 34.50 30.68 2jg1 s PRO 52 CO 0.35 -0.52 0.07 0.54 -0.33 0.00 0.00 177.00 177.10 2jg1 s VAL 53 N 2.32 0.05 -0.07 3.83 0.11 -1.26 -1.16 120.40 124.22 2jg1 s VAL 53 Ca 0.61 -0.41 -0.00 0.00 -2.93 0.00 0.00 61.98 59.25 2jg1 s VAL 53 Cb -0.29 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2jg1 s VAL 53 CO 0.25 -0.22 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.54 2jg1 s LEU 54 N -0.70 1.02 -0.09 2.54 2.96 -0.32 -4.18 118.68 119.91 2jg1 s LEU 54 Ca -0.08 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 2jg1 s LEU 54 Cb -0.05 -0.52 -0.05 0.00 0.50 0.00 0.00 46.19 46.07 2jg1 s LEU 54 CO 0.00 -0.12 0.46 0.00 -1.32 0.00 0.00 176.35 175.38 2jg1 s ALA 55 N 1.46 3.52 0.36 5.97 0.00 -0.63 -1.52 121.76 130.93 2jg1 s ALA 55 Ca -0.02 -0.19 0.04 0.00 0.00 0.00 0.00 51.96 51.79 2jg1 s ALA 55 Cb -0.13 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 2jg1 s ALA 55 CO -0.03 0.10 0.16 0.45 0.00 0.00 0.00 175.76 176.44 2jg1 n SER 56 N 3.29 0.85 0.00 0.00 2.88 0.03 -0.23 113.62 120.43 2jg1 n SER 56 Ca -0.08 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.44 2jg1 n SER 56 Cb 0.52 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 65.05 2jg1 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jg1 n GLY 57 N -0.58 0.82 3.74 0.46 0.00 -1.26 -1.19 105.19 107.18 2jg1 n GLY 57 Ca -0.03 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 2jg1 n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jg1 s PHE 58 N -1.70 3.37 0.10 1.61 0.40 -1.19 -0.52 117.98 120.05 2jg1 s PHE 58 Ca 0.00 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.65 2jg1 s PHE 58 Cb 0.00 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.53 2jg1 s PHE 58 CO 0.00 0.46 -0.09 0.96 0.70 0.00 0.00 175.22 177.25 2jg1 s ILE 59 N -0.47 0.90 -0.10 0.64 -4.36 -0.84 -4.54 121.20 112.44 2jg1 s ILE 59 Ca 0.10 -1.77 -0.13 0.00 -0.26 0.00 0.00 60.65 58.60 2jg1 s ILE 59 Cb -0.12 -1.50 0.03 0.00 1.25 0.00 0.00 42.46 42.13 2jg1 s ILE 59 CO 0.02 -0.67 0.34 -0.83 0.24 0.00 0.00 174.94 174.04 2jg1 s GLY 60 N -2.69 -0.23 0.00 6.27 0.00 -1.26 -0.67 107.32 108.74 2jg1 s GLY 60 Ca 0.08 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2jg1 s GLY 60 CO -0.01 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.33 2jg1 n GLY 61 N 2.42 0.32 0.25 0.20 0.00 -1.23 -1.38 105.19 105.77 2jg1 n GLY 61 Ca -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 44.89 2jg1 n GLY 61 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jg1 h GLU 62 N 0.00 0.62 -0.07 1.61 3.07 -1.96 -2.63 114.58 115.22 2jg1 h GLU 62 Ca 0.00 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.52 2jg1 h GLU 62 Cb 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2jg1 h GLU 62 CO 0.00 0.79 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.89 2jg1 h LEU 63 N 0.56 0.17 -0.62 1.33 3.38 -1.86 -1.93 115.31 116.34 2jg1 h LEU 63 Ca 0.09 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2jg1 h LEU 63 Cb 0.66 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2jg1 h LEU 63 CO 0.05 0.59 0.39 1.23 0.09 0.00 0.00 178.44 180.79 2jg1 h GLY 64 N 1.29 0.89 1.62 0.83 0.00 -1.01 -2.72 103.07 103.96 2jg1 h GLY 64 Ca 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 2jg1 h GLY 64 CO 0.06 0.26 -0.22 1.46 0.00 0.00 0.00 176.54 178.11 2jg1 h GLN 65 N 0.78 0.45 -0.67 4.80 1.08 -1.15 -2.19 115.11 118.21 2jg1 h GLN 65 Ca 0.25 -0.16 0.08 0.00 -1.45 0.00 0.00 58.65 57.37 2jg1 h GLN 65 Cb -0.01 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 2jg1 h GLN 65 CO -0.09 0.65 0.33 0.35 -0.95 0.00 0.00 178.83 179.12 2jg1 h PHE 66 N 0.41 0.60 -0.13 2.96 3.57 -1.12 0.00 116.94 123.23 2jg1 h PHE 66 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2jg1 h PHE 66 Cb 0.61 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2jg1 h PHE 66 CO 0.02 0.24 0.06 0.82 -2.23 0.00 0.00 178.31 177.21 2jg1 h ILE 67 N 0.59 1.13 -0.56 1.41 2.04 -1.14 -1.53 117.51 119.46 2jg1 h ILE 67 Ca 0.32 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jg1 h ILE 67 Cb 0.31 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2jg1 h ILE 67 CO -0.24 0.12 0.33 0.00 0.00 0.00 0.00 178.15 178.36 2jg1 h ALA 68 N 0.92 0.72 -0.69 1.87 0.00 -1.16 -2.25 119.26 118.67 2jg1 h ALA 68 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2jg1 h ALA 68 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jg1 h ALA 68 CO -0.00 0.04 0.36 -0.22 0.00 0.00 0.00 179.25 179.43 2jg1 h LYS 69 N 0.65 0.97 -0.50 0.00 1.63 -0.88 -0.48 116.57 117.96 2jg1 h LYS 69 Ca 0.23 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2jg1 h LYS 69 Cb 0.04 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 2jg1 h LYS 69 CO -0.11 0.74 0.29 0.87 -3.45 0.00 0.00 179.45 177.79 2jg1 h LYS 70 N 0.95 0.69 -0.54 1.90 1.79 -0.94 -1.29 116.57 119.13 2jg1 h LYS 70 Ca 0.24 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2jg1 h LYS 70 Cb 0.07 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2jg1 h LYS 70 CO -0.04 0.53 0.28 -0.07 -1.08 0.00 0.00 179.45 179.08 2jg1 h LEU 71 N 0.67 0.68 -0.66 2.94 3.38 -1.25 -2.51 115.31 118.56 2jg1 h LEU 71 Ca 0.18 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2jg1 h LEU 71 Cb 0.02 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2jg1 h LEU 71 CO -0.03 0.59 0.29 0.44 0.09 0.00 0.00 178.44 179.82 2jg1 h ASP 72 N 0.72 0.35 -0.19 -0.43 3.32 -0.75 -0.04 116.42 119.40 2jg1 h ASP 72 Ca 0.19 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2jg1 h ASP 72 Cb 0.07 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2jg1 h ASP 72 CO -0.03 0.20 0.05 0.45 -1.72 0.00 0.00 179.24 178.19 2jg1 h HIS 73 N 0.50 0.38 -0.08 4.55 3.86 -1.07 -0.94 115.15 122.36 2jg1 h HIS 73 Ca 0.33 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2jg1 h HIS 73 Cb 0.38 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2jg1 h HIS 73 CO -0.14 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.01 2jg1 n ALA 74 N -2.49 2.57 -2.77 2.45 0.00 -0.58 -4.92 120.51 114.77 2jg1 n ALA 74 Ca 0.01 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 2jg1 n ALA 74 Cb 0.17 -1.20 0.01 0.00 0.00 0.00 0.00 19.45 18.43 2jg1 n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jg1 n ASP 75 N -0.15 -5.56 -4.71 0.00 8.00 -0.36 -4.99 116.55 108.78 2jg1 n ASP 75 Ca 0.16 -0.15 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2jg1 n ASP 75 Cb 0.23 -4.57 -0.08 0.00 -0.02 0.00 0.00 41.12 36.68 2jg1 n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jg1 s ILE 76 N -3.04 5.29 0.36 0.53 1.01 -0.13 -5.01 121.20 120.21 2jg1 s ILE 76 Ca 0.17 0.52 -0.26 0.00 0.00 0.00 0.00 60.65 61.08 2jg1 s ILE 76 Cb -0.08 -3.63 -0.09 0.00 0.01 0.00 0.00 42.46 38.67 2jg1 s ILE 76 CO 0.21 0.35 1.06 -0.54 0.00 0.00 0.00 174.94 176.02 2jg1 s LYS 77 N 0.74 4.34 0.02 2.79 3.01 -1.26 -4.22 119.74 125.16 2jg1 s LYS 77 Ca 0.15 1.60 -0.06 0.00 -1.01 0.00 0.00 55.97 56.65 2jg1 s LYS 77 Cb -0.13 -2.77 -0.00 0.00 -1.01 0.00 0.00 37.83 33.92 2jg1 s LYS 77 CO 0.04 -0.01 0.12 -3.38 0.51 0.00 0.00 175.35 172.64 2jg1 s HIS 78 N -1.49 0.12 -0.41 3.18 -3.43 -1.26 -1.60 115.29 110.40 2jg1 s HIS 78 Ca 0.53 -0.32 0.08 0.00 -0.80 0.00 0.00 55.06 54.55 2jg1 s HIS 78 Cb -0.25 -0.09 0.27 0.00 -1.43 0.00 0.00 32.58 31.08 2jg1 s HIS 78 CO 0.32 -0.33 0.65 0.00 -2.00 0.00 0.00 174.74 173.38 2jg1 n ALA 79 N 1.09 1.55 -1.45 -1.38 0.00 0.68 -4.90 120.51 116.10 2jg1 n ALA 79 Ca -0.21 -2.97 -0.29 0.00 0.00 0.00 0.00 53.44 49.97 2jg1 n ALA 79 Cb 0.57 -0.94 0.12 0.00 0.00 0.00 0.00 19.45 19.20 2jg1 n ALA 79 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jg1 s PHE 80 N -1.03 2.57 -0.17 0.00 0.40 -1.26 -4.49 117.98 114.01 2jg1 s PHE 80 Ca 0.35 1.06 -0.02 0.00 -0.60 0.00 0.00 56.93 57.72 2jg1 s PHE 80 Cb 0.22 -3.23 -0.01 0.00 0.51 0.00 0.00 43.02 40.51 2jg1 s PHE 80 CO -0.12 -2.18 -0.10 -0.47 0.70 0.00 0.00 175.22 173.04 2jg1 s TYR 81 N -3.14 2.87 0.23 0.36 5.04 0.32 -4.92 117.35 118.11 2jg1 s TYR 81 Ca 0.63 -0.79 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 2jg1 s TYR 81 Cb -0.16 -1.94 -0.09 0.00 0.35 0.00 0.00 41.96 40.12 2jg1 s TYR 81 CO 0.55 -0.35 0.87 -0.80 -1.34 0.00 0.00 175.55 174.48 2jg1 s ASN 82 N 0.79 7.48 0.34 4.32 -0.87 -1.26 -1.98 114.94 123.76 2jg1 s ASN 82 Ca -0.04 1.80 0.09 0.00 -1.57 0.00 0.00 52.86 53.14 2jg1 s ASN 82 Cb -0.15 -2.56 -0.06 0.00 -0.02 0.00 0.00 41.25 38.47 2jg1 s ASN 82 CO 0.01 0.14 0.00 0.27 -2.57 0.00 0.00 177.10 174.95 2jg1 s ILE 83 N -1.26 2.58 0.29 0.60 -4.36 0.15 -4.93 121.20 114.29 2jg1 s ILE 83 Ca 0.41 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2jg1 s ILE 83 Cb -0.23 -2.79 0.09 0.00 1.25 0.00 0.00 42.46 40.78 2jg1 s ILE 83 CO 0.28 -0.20 1.76 0.11 0.24 0.00 0.00 174.94 177.14 2jg1 h LYS 84 N 1.82 0.52 -7.60 0.37 1.57 -1.92 -3.39 116.57 107.95 2jg1 h LYS 84 Ca -0.43 -0.17 -0.45 0.00 -1.87 0.00 0.00 60.65 57.73 2jg1 h LYS 84 Cb 1.25 -0.05 0.14 0.00 0.08 0.00 0.00 32.23 33.65 2jg1 h LYS 84 CO 0.67 0.67 0.34 0.20 -0.57 0.00 0.00 179.45 180.76 2jg1 s GLY 85 N -3.94 1.63 -0.15 3.86 0.00 -1.26 -4.78 107.32 102.67 2jg1 s GLY 85 Ca -0.07 -0.78 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 2jg1 s GLY 85 CO 0.79 -0.14 0.08 -0.54 0.00 0.00 0.00 173.10 173.28 2jg1 s GLU 86 N -5.52 3.70 0.33 2.90 8.01 -1.26 -3.57 118.70 123.29 2jg1 s GLU 86 Ca 0.67 -0.29 -0.28 0.00 0.01 0.00 0.00 54.97 55.07 2jg1 s GLU 86 Cb -0.10 -3.15 -0.13 0.00 -4.31 0.00 0.00 34.13 26.44 2jg1 s GLU 86 CO 0.53 0.47 1.23 2.41 0.01 0.00 0.00 175.26 179.90 2jg1 n THR 87 N 2.93 2.01 -1.87 3.63 -1.04 -0.48 -4.02 114.28 115.44 2jg1 n THR 87 Ca -0.18 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.03 2jg1 n THR 87 Cb 0.53 -1.45 0.04 0.00 -1.82 0.00 0.00 70.33 67.63 2jg1 n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jg1 s ARG 88 N -1.82 2.96 0.15 -2.82 1.70 -1.26 -4.75 118.95 113.11 2jg1 s ARG 88 Ca 0.56 0.51 0.03 0.00 -0.47 0.00 0.00 55.73 56.36 2jg1 s ARG 88 Cb -0.60 -2.03 -0.04 0.00 -0.57 0.00 0.00 34.95 31.72 2jg1 s ARG 88 CO 0.62 -0.98 0.24 -0.80 -1.08 0.00 0.00 175.30 173.30 2jg1 s ASN 89 N -4.32 6.11 0.05 -2.89 -0.87 -1.26 -0.93 114.94 110.83 2jg1 s ASN 89 Ca 0.58 0.09 0.04 0.00 -1.57 0.00 0.00 52.86 52.00 2jg1 s ASN 89 Cb -0.11 -1.78 -0.02 0.00 -0.02 0.00 0.00 41.25 39.31 2jg1 s ASN 89 CO 0.52 0.06 -0.12 0.00 -2.57 0.00 0.00 177.10 174.99 2jg1 s ILE 91 N -1.06 2.43 -0.10 0.00 -1.09 -0.17 -0.03 121.20 121.18 2jg1 s ILE 91 Ca -0.02 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 2jg1 s ILE 91 Cb -0.09 -1.92 0.01 0.00 -1.58 0.00 0.00 42.46 38.89 2jg1 s ILE 91 CO 0.01 0.57 -0.14 0.00 -1.23 0.00 0.00 174.94 174.15 2jg1 s ALA 92 N -0.22 1.57 -0.23 9.38 0.00 -0.15 -0.83 121.76 131.29 2jg1 s ALA 92 Ca -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 2jg1 s ALA 92 Cb -0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 2jg1 s ALA 92 CO 0.03 -0.06 -0.03 0.42 0.00 0.00 0.00 175.76 176.12 2jg1 s ILE 93 N 0.97 3.44 -0.41 0.00 1.01 0.99 -0.99 121.20 126.21 2jg1 s ILE 93 Ca -0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 2jg1 s ILE 93 Cb -0.15 -2.58 0.05 0.00 0.01 0.00 0.00 42.46 39.79 2jg1 s ILE 93 CO -0.01 0.40 0.27 -0.76 0.00 0.00 0.00 174.94 174.85 2jg1 s LEU 94 N 1.49 5.08 -0.08 2.97 1.43 0.35 -1.11 118.68 128.81 2jg1 s LEU 94 Ca 0.06 -1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 51.91 2jg1 s LEU 94 Cb -0.14 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2jg1 s LEU 94 CO -0.03 -0.49 0.19 -1.38 0.23 0.00 0.00 176.35 174.87 2jg1 s HIS 95 N 1.55 -0.23 -1.44 0.29 -3.43 -0.86 -0.67 115.29 110.49 2jg1 s HIS 95 Ca 0.03 0.61 -0.00 0.00 -0.80 0.00 0.00 55.06 54.89 2jg1 s HIS 95 Cb -0.21 -0.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.92 2jg1 s HIS 95 CO 0.06 -0.19 0.32 -1.91 -2.00 0.00 0.00 174.74 171.03 2jg1 n GLU 96 N 4.09 -2.75 -0.94 -0.38 2.13 -1.25 -0.27 120.64 121.27 2jg1 n GLU 96 Ca -0.25 0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2jg1 n GLU 96 Cb 0.53 -4.32 0.00 0.00 0.27 0.00 0.00 31.44 27.92 2jg1 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jg1 n GLY 97 N -2.11 0.48 3.71 8.31 0.00 -1.26 -5.01 105.19 109.31 2jg1 n GLY 97 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 2jg1 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jg1 s GLN 98 N -0.51 2.35 -0.22 1.61 -0.21 0.63 -5.12 119.66 118.19 2jg1 s GLN 98 Ca 0.00 -1.53 -0.02 0.00 0.02 0.00 0.00 55.36 53.82 2jg1 s GLN 98 Cb 0.00 -2.16 0.07 0.00 1.00 0.00 0.00 33.01 31.92 2jg1 s GLN 98 CO 0.00 0.16 0.05 -1.14 -2.12 0.00 0.00 175.29 172.24 2jg1 s GLN 99 N -3.81 0.67 -0.21 2.91 0.74 -1.26 -2.03 119.66 116.68 2jg1 s GLN 99 Ca 0.36 -0.56 -0.06 0.00 0.05 0.00 0.00 55.36 55.16 2jg1 s GLN 99 Cb -0.03 -2.06 -0.03 0.00 1.10 0.00 0.00 33.01 31.99 2jg1 s GLN 99 CO 0.22 -0.72 0.03 0.99 -0.55 0.00 0.00 175.29 175.26 2jg1 s THR 100 N 1.82 4.18 0.05 -0.34 2.01 -0.27 -4.93 115.64 118.16 2jg1 s THR 100 Ca 0.01 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.87 2jg1 s THR 100 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2jg1 s THR 100 CO -0.12 0.41 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.35 2jg1 s GLU 101 N 1.05 1.70 -0.18 4.92 2.02 -1.26 -0.01 118.70 126.94 2jg1 s GLU 101 Ca 0.03 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.93 2jg1 s GLU 101 Cb -0.14 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.23 2jg1 s GLU 101 CO 0.02 0.49 -0.17 0.42 0.02 0.00 0.00 175.26 176.04 2jg1 s ILE 102 N -0.82 1.94 -0.23 -1.63 1.01 -0.01 -5.00 121.20 116.46 2jg1 s ILE 102 Ca 0.11 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2jg1 s ILE 102 Cb -0.10 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2jg1 s ILE 102 CO 0.02 0.43 -0.06 -0.76 0.00 0.00 0.00 174.94 174.58 2jg1 s LEU 103 N 1.32 3.00 0.26 2.97 1.43 -1.26 -1.00 118.68 125.40 2jg1 s LEU 103 Ca 0.03 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2jg1 s LEU 103 Cb -0.14 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2jg1 s LEU 103 CO -0.11 -0.08 0.95 -1.61 0.23 0.00 0.00 176.35 175.73 2jg1 s GLU 104 N 1.39 4.78 0.26 1.70 2.02 -1.24 -4.97 118.70 122.64 2jg1 s GLU 104 Ca 0.03 1.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 2jg1 s GLU 104 Cb -0.15 -3.15 0.32 0.00 0.10 0.00 0.00 34.13 31.25 2jg1 s GLU 104 CO -0.05 0.44 1.76 0.37 0.02 0.00 0.00 175.26 177.80 2jg1 h GLN 105 N 3.88 0.81 0.00 1.61 4.15 -1.99 -3.48 115.11 120.09 2jg1 h GLN 105 Ca -0.46 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 58.75 2jg1 h GLN 105 Cb 1.20 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2jg1 h GLN 105 CO 0.67 0.81 0.00 0.41 -1.93 0.00 0.00 178.83 178.79 2jg1 n GLY 106 N -0.64 -2.01 3.80 2.39 0.00 -1.26 -4.59 105.19 102.88 2jg1 n GLY 106 Ca 0.03 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 2jg1 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jg1 s PRO 107 N -0.10 3.23 -0.11 1.61 0.04 -1.26 -4.86 135.00 133.56 2jg1 s PRO 107 Ca 0.00 1.23 -0.20 0.00 0.04 0.00 0.00 61.00 62.07 2jg1 s PRO 107 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2jg1 s PRO 107 CO 0.00 -0.88 0.57 -2.00 0.04 0.00 0.00 177.00 174.73 2jg1 s GLU 108 N -4.09 4.36 -0.24 4.56 2.12 -1.26 -3.70 118.70 120.45 2jg1 s GLU 108 Ca 0.64 0.62 -0.19 0.00 0.36 0.00 0.00 54.97 56.39 2jg1 s GLU 108 Cb -0.17 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 2jg1 s GLU 108 CO 0.38 0.08 0.57 0.42 -0.54 0.00 0.00 175.26 176.17 2jg1 s ILE 109 N 0.82 5.04 0.82 -3.70 -1.09 -0.27 -4.71 121.20 118.12 2jg1 s ILE 109 Ca 0.30 1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 59.65 2jg1 s ILE 109 Cb -0.16 -3.88 0.13 0.00 -1.58 0.00 0.00 42.46 36.97 2jg1 s ILE 109 CO 0.13 0.09 1.15 1.51 -1.23 0.00 0.00 174.94 176.59 2jg1 s ASP 110 N 1.38 4.00 0.18 3.58 3.84 -1.26 -4.30 116.67 124.09 2jg1 s ASP 110 Ca 0.25 0.23 -0.13 0.00 -0.00 0.00 0.00 52.55 52.90 2jg1 s ASP 110 Cb -0.16 -0.56 0.16 0.00 -1.38 0.00 0.00 42.92 40.98 2jg1 s ASP 110 CO 0.09 -2.14 1.76 -1.13 -0.00 0.00 0.00 175.17 173.75 2jg1 h ASN 111 N -1.05 0.27 -0.12 2.11 -1.24 -1.98 -1.84 115.58 111.73 2jg1 h ASN 111 Ca -0.43 0.05 0.02 0.00 0.71 0.00 0.00 56.30 56.65 2jg1 h ASN 111 Cb 1.27 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 40.31 2jg1 h ASN 111 CO 0.48 0.19 -0.01 -0.61 -1.29 0.00 0.00 177.43 176.18 2jg1 h GLN 112 N 0.42 0.02 -0.35 6.67 4.15 -1.99 -1.95 115.11 122.09 2jg1 h GLN 112 Ca 0.24 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 2jg1 h GLN 112 Cb 0.21 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2jg1 h GLN 112 CO -0.21 0.02 -0.05 0.93 -1.93 0.00 0.00 178.83 177.59 2jg1 h GLU 113 N 0.02 0.65 -0.32 1.69 5.08 -1.88 0.31 114.58 120.13 2jg1 h GLU 113 Ca 0.06 -0.23 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2jg1 h GLU 113 Cb 0.07 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2jg1 h GLU 113 CO -0.10 0.80 -0.02 0.00 -1.00 0.00 0.00 179.01 178.68 2jg1 h ALA 114 N 0.83 0.27 -0.43 3.43 0.00 -1.31 0.30 119.26 122.35 2jg1 h ALA 114 Ca 0.09 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2jg1 h ALA 114 Cb 0.53 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jg1 h ALA 114 CO 0.03 -0.42 -0.30 0.00 0.00 0.00 0.00 179.25 178.55 2jg1 h ALA 115 N 1.29 0.64 -0.48 0.00 0.00 -1.20 -2.76 119.26 116.76 2jg1 h ALA 115 Ca 0.16 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2jg1 h ALA 115 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jg1 h ALA 115 CO -0.28 0.68 0.27 0.78 0.00 0.00 0.00 179.25 180.69 2jg1 h GLY 116 N 0.83 0.71 0.92 0.00 0.00 -0.03 -2.76 103.07 102.74 2jg1 h GLY 116 Ca 0.09 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.12 2jg1 h GLY 116 CO 0.08 0.30 0.37 -2.75 0.00 0.00 0.00 176.54 174.54 2jg1 h PHE 117 N 0.64 0.69 -0.95 5.60 3.57 -0.36 -2.18 116.94 123.95 2jg1 h PHE 117 Ca 0.17 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.81 2jg1 h PHE 117 Cb 0.03 -0.23 -0.08 0.00 2.79 0.00 0.00 35.95 38.46 2jg1 h PHE 117 CO -0.02 0.41 0.58 0.82 -2.23 0.00 0.00 178.31 177.86 2jg1 h ILE 118 N 0.73 0.88 -0.27 1.41 1.08 -1.25 0.21 117.51 120.31 2jg1 h ILE 118 Ca 0.23 -0.31 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 2jg1 h ILE 118 Cb -0.02 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.63 2jg1 h ILE 118 CO -0.08 0.16 0.02 0.11 -0.69 0.00 0.00 178.15 177.67 2jg1 h LYS 119 N 0.90 0.46 -0.64 2.37 1.79 -1.16 -1.71 116.57 118.59 2jg1 h LYS 119 Ca 0.48 -0.14 0.01 0.00 -2.18 0.00 0.00 60.65 58.82 2jg1 h LYS 119 Cb 0.51 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 2jg1 h LYS 119 CO -0.28 0.61 0.42 1.25 -1.08 0.00 0.00 179.45 180.37 2jg1 h HIS 120 N 0.26 0.80 -0.19 -1.35 2.76 -0.90 -2.19 115.15 114.33 2jg1 h HIS 120 Ca 0.08 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jg1 h HIS 120 Cb 0.39 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 2jg1 h HIS 120 CO 0.03 0.49 0.09 0.35 -1.30 0.00 0.00 177.93 177.59 2jg1 h PHE 121 N 0.85 0.16 -0.75 5.26 3.57 -0.44 -2.48 116.94 123.12 2jg1 h PHE 121 Ca 0.24 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.89 2jg1 h PHE 121 Cb -0.08 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.52 2jg1 h PHE 121 CO -0.03 0.09 0.29 0.93 -2.23 0.00 0.00 178.31 177.36 2jg1 h GLU 122 N 0.19 0.42 -5.12 1.11 5.08 -1.05 -3.48 114.58 111.74 2jg1 h GLU 122 Ca 0.08 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.21 2jg1 h GLU 122 Cb 0.03 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.20 2jg1 h GLU 122 CO -0.06 0.28 0.59 1.04 -1.00 0.00 0.00 179.01 179.86 2jg1 n GLN 123 N -5.01 0.50 0.00 2.33 6.02 -0.85 -5.01 117.38 115.36 2jg1 n GLN 123 Ca 0.14 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 2jg1 n GLN 123 Cb 0.41 -3.62 0.00 0.00 1.02 0.00 0.00 30.24 28.05 2jg1 n GLN 123 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2jg1 n GLU 126 N 8.08 0.00 0.01 -1.09 0.28 -1.26 -5.08 120.64 121.57 2jg1 n GLU 126 Ca 0.43 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 2jg1 n GLU 126 Cb 0.46 -0.87 0.27 0.00 1.43 0.00 0.00 31.44 32.72 2jg1 n GLU 126 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jg1 n LYS 127 N -2.00 0.04 -4.21 3.44 5.02 -1.26 -4.67 118.16 114.52 2jg1 n LYS 127 Ca 0.00 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 2jg1 n LYS 127 Cb 0.00 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.39 2jg1 n LYS 127 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2jg1 s VAL 128 N -3.02 0.83 0.00 -0.18 -7.23 -1.26 -4.57 120.40 104.97 2jg1 s VAL 128 Ca 0.11 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 2jg1 s VAL 128 Cb 0.17 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2jg1 s VAL 128 CO 0.69 -0.76 0.45 -0.62 -0.31 0.00 0.00 175.10 174.55 2jg1 n GLU 129 N -0.12 -0.33 -3.52 4.82 1.02 -1.17 -4.96 120.64 116.36 2jg1 n GLU 129 Ca -0.11 -0.50 -0.16 0.00 -0.02 0.00 0.00 57.16 56.37 2jg1 n GLU 129 Cb 0.61 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.10 2jg1 n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jg1 s ALA 130 N -0.11 -1.78 -0.07 0.62 0.00 -1.26 -4.25 121.76 114.91 2jg1 s ALA 130 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.27 2jg1 s ALA 130 Cb 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2jg1 s ALA 130 CO 0.00 -0.39 -0.09 0.08 0.00 0.00 0.00 175.76 175.35 2jg1 s VAL 131 N -1.38 0.98 -0.22 0.00 1.01 -0.57 -0.71 120.40 119.51 2jg1 s VAL 131 Ca -0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 2jg1 s VAL 131 Cb -0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 2jg1 s VAL 131 CO 0.07 0.33 0.03 0.00 0.00 0.00 0.00 175.10 175.53 2jg1 s ALA 132 N 0.98 3.11 -0.18 5.51 0.00 0.20 -0.78 121.76 130.60 2jg1 s ALA 132 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.84 2jg1 s ALA 132 Cb -0.15 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.07 2jg1 s ALA 132 CO 0.00 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.75 2jg1 s ILE 133 N 1.21 2.37 0.03 0.00 1.01 -0.08 -0.84 121.20 124.90 2jg1 s ILE 133 Ca 0.04 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2jg1 s ILE 133 Cb -0.14 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 2jg1 s ILE 133 CO 0.02 0.52 -0.13 -0.44 0.00 0.00 0.00 174.94 174.91 2jg1 s SER 134 N 1.21 1.55 0.00 3.58 0.01 -1.20 -0.66 113.70 118.19 2jg1 s SER 134 Ca 0.02 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2jg1 s SER 134 Cb -0.14 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2jg1 s SER 134 CO -0.08 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2jg1 n GLY 135 N 2.09 -0.09 3.96 3.44 0.00 -0.77 -4.47 105.19 109.35 2jg1 n GLY 135 Ca -0.17 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 2jg1 n GLY 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jg1 s SER 136 N -1.04 4.97 0.25 1.61 1.04 -1.26 -4.75 113.70 114.52 2jg1 s SER 136 Ca 0.00 0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.19 2jg1 s SER 136 Cb 0.00 -0.78 -0.09 0.00 0.10 0.00 0.00 66.02 65.25 2jg1 s SER 136 CO 0.00 -1.40 0.96 -0.76 0.98 0.00 0.00 173.24 173.02 2jg1 s LEU 137 N -4.96 4.62 0.89 2.42 1.43 -1.26 -4.37 118.68 117.44 2jg1 s LEU 137 Ca 0.60 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.58 2jg1 s LEU 137 Cb -0.10 -3.64 0.13 0.00 0.03 0.00 0.00 46.19 42.61 2jg1 s LEU 137 CO 0.41 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 176.03 2jg1 s PRO 138 N -1.27 1.30 0.26 1.29 0.04 -1.26 -4.96 135.00 130.39 2jg1 s PRO 138 Ca 0.42 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2jg1 s PRO 138 Cb -0.26 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2jg1 s PRO 138 CO 0.33 -2.31 1.24 1.17 0.04 0.00 0.00 177.00 177.47 2jg1 n LYS 139 N -3.97 1.70 0.00 4.56 4.81 -1.24 -3.44 118.16 120.58 2jg1 n LYS 139 Ca 0.09 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2jg1 n LYS 139 Cb 0.53 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.44 2jg1 n LYS 139 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jg1 n GLY 140 N 1.66 2.15 3.77 3.14 0.00 -1.26 -1.11 105.19 113.53 2jg1 n GLY 140 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2jg1 n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jg1 s LEU 141 N 0.00 4.47 0.41 0.99 1.43 -1.22 -4.78 118.68 119.98 2jg1 s LEU 141 Ca 0.00 1.91 -0.26 0.00 -1.03 0.00 0.00 54.13 54.75 2jg1 s LEU 141 Cb 0.00 -3.84 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 2jg1 s LEU 141 CO 0.00 0.01 1.32 -3.20 0.23 0.00 0.00 176.35 174.71 2jg1 n ASN 142 N 0.95 2.82 0.18 2.29 5.15 -1.26 -4.87 115.26 120.51 2jg1 n ASN 142 Ca 0.00 1.13 0.19 0.00 -0.60 0.00 0.00 54.58 55.30 2jg1 n ASN 142 Cb 0.49 -1.53 0.78 0.00 -0.53 0.00 0.00 39.78 38.99 2jg1 n ASN 142 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2jg1 h GLN 143 N 2.26 0.00 -0.19 1.20 4.20 -2.00 -1.48 115.11 119.10 2jg1 h GLN 143 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2jg1 h GLN 143 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2jg1 h GLN 143 CO 0.61 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.37 2jg1 n ASP 144 N -3.48 1.25 -0.32 1.46 5.75 -1.26 -4.56 116.55 115.39 2jg1 n ASP 144 Ca 0.04 -1.83 -0.01 0.00 -0.01 0.00 0.00 54.79 52.98 2jg1 n ASP 144 Cb 0.51 -0.12 0.11 0.00 -1.03 0.00 0.00 41.12 40.59 2jg1 n ASP 144 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 2jg1 h TYR 145 N 1.49 1.05 -0.25 2.11 3.20 -1.63 -0.46 116.97 122.48 2jg1 h TYR 145 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 2jg1 h TYR 145 Cb 0.33 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2jg1 h TYR 145 CO 0.12 0.60 -0.38 1.88 -1.64 0.00 0.00 178.16 178.74 2jg1 h TYR 146 N 1.09 0.67 -0.30 -3.82 0.05 -1.85 -1.98 116.97 110.82 2jg1 h TYR 146 Ca 0.35 -0.19 0.06 0.00 0.05 0.00 0.00 58.73 59.00 2jg1 h TYR 146 Cb 0.01 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 2jg1 h TYR 146 CO -0.02 0.87 -0.08 0.00 -1.05 0.00 0.00 178.16 177.89 2jg1 h ALA 147 N 1.11 0.20 -0.62 3.88 0.00 -1.59 0.11 119.26 122.35 2jg1 h ALA 147 Ca 0.04 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jg1 h ALA 147 Cb 0.88 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 2jg1 h ALA 147 CO 0.08 -0.46 0.27 1.96 0.00 0.00 0.00 179.25 181.09 2jg1 h GLN 148 N 0.00 0.47 -0.04 0.00 4.20 -0.91 -0.76 115.11 118.07 2jg1 h GLN 148 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2jg1 h GLN 148 Cb 0.22 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2jg1 h GLN 148 CO -0.31 0.31 0.02 0.82 -0.67 0.00 0.00 178.83 179.00 2jg1 h ILE 149 N 0.48 1.15 -0.32 2.54 1.08 -0.89 -2.83 117.51 118.72 2jg1 h ILE 149 Ca 0.30 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 2jg1 h ILE 149 Cb 0.33 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2jg1 h ILE 149 CO -0.27 0.12 -0.00 0.40 -0.69 0.00 0.00 178.15 177.71 2jg1 h ILE 150 N -0.11 1.19 -0.27 -0.67 1.08 -0.87 -2.19 117.51 115.67 2jg1 h ILE 150 Ca 0.01 -0.76 0.05 0.00 -0.39 0.00 0.00 64.86 63.78 2jg1 h ILE 150 Cb 0.19 0.95 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 2jg1 h ILE 150 CO -0.00 0.26 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.58 2jg1 h GLU 151 N 0.48 0.01 -0.37 2.37 4.81 -1.00 -0.09 114.58 120.79 2jg1 h GLU 151 Ca 0.10 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2jg1 h GLU 151 Cb 0.32 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2jg1 h GLU 151 CO 0.01 0.01 0.22 0.00 -0.73 0.00 0.00 179.01 178.51 2jg1 h ARG 152 N 0.01 0.50 -0.14 1.92 2.47 -1.17 0.01 114.38 117.98 2jg1 h ARG 152 Ca 0.13 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 2jg1 h ARG 152 Cb 0.20 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.41 2jg1 h ARG 152 CO -0.27 0.35 -0.14 0.00 0.56 0.00 0.00 179.97 180.47 2jg1 h GLN 154 N -0.02 1.19 -0.28 0.00 1.08 -0.63 0.39 115.11 116.84 2jg1 h GLN 154 Ca 0.02 -0.13 0.08 0.00 -1.45 0.00 0.00 58.65 57.18 2jg1 h GLN 154 Cb 0.67 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2jg1 h GLN 154 CO 0.04 0.86 0.26 -0.91 -0.95 0.00 0.00 178.83 178.12 2jg1 h ASN 155 N 1.20 0.00 -0.15 1.46 -0.26 -1.01 -2.47 115.58 114.35 2jg1 h ASN 155 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 2jg1 h ASN 155 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2jg1 h ASN 155 CO -0.05 0.00 0.00 0.29 -1.06 0.00 0.00 177.43 176.61 2jg1 n LYS 156 N -4.01 2.89 -3.37 0.81 4.76 -0.80 -5.00 118.16 113.44 2jg1 n LYS 156 Ca 0.04 -1.72 -0.23 0.00 -2.87 0.00 0.00 58.31 53.53 2jg1 n LYS 156 Cb 0.41 -1.12 0.06 0.00 -1.84 0.00 0.00 35.03 32.54 2jg1 n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jg1 n GLY 157 N -0.06 -0.48 3.41 0.72 0.00 -0.55 -4.99 105.19 103.23 2jg1 n GLY 157 Ca 0.05 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 2jg1 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jg1 s VAL 158 N -3.26 4.56 0.50 1.61 1.01 0.02 -5.02 120.40 119.82 2jg1 s VAL 158 Ca 0.47 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 2jg1 s VAL 158 Cb -0.21 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 2jg1 s VAL 158 CO 0.59 -0.06 1.18 -2.16 0.00 0.00 0.00 175.10 174.64 2jg1 s PRO 159 N 1.58 3.55 -0.13 2.72 0.04 -1.26 -4.32 135.00 137.18 2jg1 s PRO 159 Ca 0.03 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.87 2jg1 s PRO 159 Cb -0.18 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2jg1 s PRO 159 CO 0.06 -0.73 -0.20 0.08 0.04 0.00 0.00 177.00 176.26 2jg1 s VAL 160 N -1.58 2.35 -0.29 -0.36 1.01 -1.26 -1.51 120.40 118.76 2jg1 s VAL 160 Ca 0.67 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2jg1 s VAL 160 Cb -0.29 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2jg1 s VAL 160 CO 0.34 0.54 0.13 -0.63 0.00 0.00 0.00 175.10 175.48 2jg1 s ILE 161 N 0.62 4.59 -0.11 2.22 1.09 0.04 -0.17 121.20 129.48 2jg1 s ILE 161 Ca -0.11 -0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.17 2jg1 s ILE 161 Cb -0.16 -3.27 -0.01 0.00 -1.06 0.00 0.00 42.46 37.96 2jg1 s ILE 161 CO 0.03 0.16 -0.19 -0.22 -0.10 0.00 0.00 174.94 174.62 2jg1 s LEU 162 N 1.63 2.39 -0.45 2.97 2.96 0.08 -0.91 118.68 127.35 2jg1 s LEU 162 Ca 0.05 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2jg1 s LEU 162 Cb -0.16 -1.50 0.15 0.00 0.50 0.00 0.00 46.19 45.17 2jg1 s LEU 162 CO 0.06 0.17 0.30 -0.62 -1.32 0.00 0.00 176.35 174.94 2jg1 s ASP 163 N 0.31 2.98 0.35 3.68 2.15 0.17 -2.20 116.67 124.10 2jg1 s ASP 163 Ca -0.14 -2.83 0.07 0.00 0.43 0.00 0.00 52.55 50.08 2jg1 s ASP 163 Cb -0.17 -0.79 -0.03 0.00 -0.30 0.00 0.00 42.92 41.63 2jg1 s ASP 163 CO 0.07 -0.22 0.26 0.00 -0.17 0.00 0.00 175.17 175.11 2jg1 s SER 165 N -3.38 0.25 0.67 0.00 1.04 -1.26 -4.72 113.70 106.29 2jg1 s SER 165 Ca 0.37 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2jg1 s SER 165 Cb 0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2jg1 s SER 165 CO 0.26 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2jg1 n GLY 166 N -0.41 1.18 0.28 7.32 0.00 -1.26 -2.98 105.19 109.32 2jg1 n GLY 166 Ca -0.00 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.47 2jg1 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 167 N -0.67 1.34 0.19 4.61 0.00 -1.98 -1.48 119.26 121.27 2jg1 h ALA 167 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jg1 h ALA 167 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jg1 h ALA 167 CO 0.00 0.09 -0.09 1.15 0.00 0.00 0.00 179.25 180.40 2jg1 h THR 168 N 0.00 0.89 -0.62 0.00 2.02 -1.94 -1.32 112.91 111.94 2jg1 h THR 168 Ca -0.00 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 2jg1 h THR 168 Cb 0.22 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2jg1 h THR 168 CO 0.01 0.09 0.13 0.25 0.37 0.00 0.00 175.52 176.38 2jg1 h LEU 169 N -0.46 0.95 -0.49 2.58 5.85 -1.34 -2.98 115.31 119.42 2jg1 h LEU 169 Ca -0.03 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.53 2jg1 h LEU 169 Cb 0.35 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2jg1 h LEU 169 CO 0.04 0.95 0.09 -0.61 -0.34 0.00 0.00 178.44 178.57 2jg1 h GLN 170 N 0.91 0.21 -0.67 1.25 5.75 -1.26 -1.09 115.11 120.22 2jg1 h GLN 170 Ca 0.19 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 2jg1 h GLN 170 Cb 0.38 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2jg1 h GLN 170 CO 0.01 0.14 0.38 1.15 -2.65 0.00 0.00 178.83 177.86 2jg1 h THR 171 N 0.22 1.20 -0.14 2.39 2.02 -1.10 -1.95 112.91 115.55 2jg1 h THR 171 Ca 0.24 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2jg1 h THR 171 Cb 0.33 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2jg1 h THR 171 CO -0.33 0.22 0.06 0.58 0.37 0.00 0.00 175.52 176.42 2jg1 h VAL 172 N 0.91 1.15 -0.04 3.16 2.07 -1.35 -3.01 116.25 119.15 2jg1 h VAL 172 Ca 0.24 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2jg1 h VAL 172 Cb 0.01 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2jg1 h VAL 172 CO -0.04 0.14 0.03 -0.07 0.02 0.00 0.00 177.57 177.65 2jg1 h LEU 173 N 0.08 0.00 0.00 2.57 3.38 -0.92 -1.65 115.31 118.77 2jg1 h LEU 173 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jg1 h LEU 173 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jg1 h LEU 173 CO -0.00 0.00 -0.18 -0.33 0.09 0.00 0.00 178.44 178.02 2jg1 h GLU 174 N 0.00 0.00 -6.63 1.13 5.08 -1.23 -3.47 114.58 109.46 2jg1 h GLU 174 Ca 0.02 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.89 2jg1 h GLU 174 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jg1 h GLU 174 CO -0.00 0.00 -0.10 0.54 -1.00 0.00 0.00 179.01 178.45 2jg1 s ASN 175 N -4.76 6.31 0.44 1.42 2.20 -0.62 -5.02 114.94 114.91 2jg1 s ASN 175 Ca 0.09 0.62 0.23 0.00 -0.94 0.00 0.00 52.86 52.86 2jg1 s ASN 175 Cb 0.11 -2.11 0.98 0.00 -2.00 0.00 0.00 41.25 38.24 2jg1 s ASN 175 CO 0.64 -0.36 1.86 1.55 -2.94 0.00 0.00 177.10 177.86 2jg1 h PRO 176 N 0.75 0.00 -5.41 3.55 0.13 -1.90 -3.42 132.00 125.70 2jg1 h PRO 176 Ca -0.49 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 2jg1 h PRO 176 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2jg1 h PRO 176 CO 0.62 0.24 0.17 0.71 -0.23 0.00 0.00 178.00 179.52 2jg1 s TYR 177 N -3.80 3.03 -0.01 1.56 1.51 -1.26 -5.03 117.35 113.35 2jg1 s TYR 177 Ca -0.01 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 2jg1 s TYR 177 Cb 0.11 -3.47 -0.04 0.00 -0.11 0.00 0.00 41.96 38.45 2jg1 s TYR 177 CO 0.64 -0.95 0.20 0.15 -1.11 0.00 0.00 175.55 174.48 2jg1 s LYS 178 N 2.93 3.47 0.62 -0.62 -0.14 -1.26 -4.77 119.74 119.97 2jg1 s LYS 178 Ca 0.23 -0.25 -0.15 0.00 -1.36 0.00 0.00 55.97 54.44 2jg1 s LYS 178 Cb -0.15 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2jg1 s LYS 178 CO 0.18 0.67 1.06 -1.25 -0.76 0.00 0.00 175.35 175.26 2jg1 s PRO 179 N -1.85 3.19 0.11 -1.68 0.04 -1.26 -4.87 135.00 128.68 2jg1 s PRO 179 Ca 0.27 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 2jg1 s PRO 179 Cb -0.13 -2.02 -0.20 0.00 0.04 0.00 0.00 34.50 32.20 2jg1 s PRO 179 CO 0.17 -0.91 1.23 1.15 0.04 0.00 0.00 177.00 178.68 2jg1 h THR 180 N 0.21 1.52 -3.93 1.26 2.02 -0.92 -3.39 112.91 109.67 2jg1 h THR 180 Ca -0.46 -2.96 -0.34 0.00 0.77 0.00 0.00 66.41 63.42 2jg1 h THR 180 Cb 1.22 2.78 -0.28 0.00 -1.74 0.00 0.00 68.15 70.13 2jg1 h THR 180 CO 0.57 0.86 -0.76 -0.69 0.37 0.00 0.00 175.52 175.87 2jg1 s VAL 181 N -2.84 0.47 0.09 3.16 1.01 -0.66 -0.82 120.40 120.81 2jg1 s VAL 181 Ca -0.03 -0.26 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2jg1 s VAL 181 Cb 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 2jg1 s VAL 181 CO 0.86 0.13 -0.24 0.27 0.00 0.00 0.00 175.10 176.12 2jg1 s ILE 182 N -0.14 2.40 -0.49 2.22 -4.36 -0.40 -0.74 121.20 119.69 2jg1 s ILE 182 Ca 0.02 -1.51 0.08 0.00 -0.26 0.00 0.00 60.65 58.98 2jg1 s ILE 182 Cb -0.02 -2.02 0.27 0.00 1.25 0.00 0.00 42.46 41.94 2jg1 s ILE 182 CO -0.00 0.22 0.67 1.17 0.24 0.00 0.00 174.94 177.23 2jg1 n LYS 183 N 1.27 1.60 -2.51 0.37 0.00 -0.93 -1.33 118.16 116.62 2jg1 n LYS 183 Ca -0.17 -3.88 -0.34 0.00 0.00 0.00 0.00 58.31 53.92 2jg1 n LYS 183 Cb 0.52 -1.72 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 2jg1 n LYS 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jg1 s PRO 184 N -2.01 3.75 0.84 1.64 0.04 -1.22 -4.86 135.00 133.18 2jg1 s PRO 184 Ca 0.39 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2jg1 s PRO 184 Cb 0.20 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.76 2jg1 s PRO 184 CO -0.08 -0.48 1.16 0.54 0.04 0.00 0.00 177.00 178.19 2jg1 s ASN 185 N -1.97 4.16 0.20 6.66 2.20 -1.26 -2.09 114.94 122.85 2jg1 s ASN 185 Ca 0.68 0.85 -0.10 0.00 -0.94 0.00 0.00 52.86 53.35 2jg1 s ASN 185 Cb -0.17 -1.38 0.22 0.00 -2.00 0.00 0.00 41.25 37.91 2jg1 s ASN 185 CO 0.21 -2.13 1.80 -0.29 -2.94 0.00 0.00 177.10 173.74 2jg1 h ILE 186 N -1.21 0.95 -0.44 0.54 2.10 -1.74 -1.35 117.51 116.36 2jg1 h ILE 186 Ca -0.48 -0.21 0.06 0.00 1.08 0.00 0.00 64.86 65.31 2jg1 h ILE 186 Cb 1.33 0.28 -0.05 0.00 -1.09 0.00 0.00 36.82 37.29 2jg1 h ILE 186 CO 0.64 0.11 0.15 -1.28 -1.08 0.00 0.00 178.15 176.70 2jg1 h SER 187 N 0.61 0.15 -0.76 2.19 0.87 -1.94 -2.51 113.55 112.17 2jg1 h SER 187 Ca 0.28 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 2jg1 h SER 187 Cb 0.19 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2jg1 h SER 187 CO -0.18 0.12 0.30 -0.33 -0.53 0.00 0.00 176.83 176.21 2jg1 h GLU 188 N 0.32 1.13 0.19 2.24 5.08 -1.80 -1.01 114.58 120.73 2jg1 h GLU 188 Ca 0.21 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jg1 h GLU 188 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2jg1 h GLU 188 CO -0.22 0.92 -0.21 1.25 -1.00 0.00 0.00 179.01 179.75 2jg1 h LEU 189 N 1.09 -0.58 -0.53 1.33 5.85 -0.91 -1.95 115.31 119.61 2jg1 h LEU 189 Ca 0.25 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 2jg1 h LEU 189 Cb 0.22 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2jg1 h LEU 189 CO -0.02 -0.31 -0.58 1.88 -0.34 0.00 0.00 178.44 179.06 2jg1 h TYR 190 N -0.45 0.61 -0.56 1.25 -1.99 -1.40 -2.81 116.97 111.62 2jg1 h TYR 190 Ca 0.01 -0.22 0.05 0.00 2.00 0.00 0.00 58.73 60.56 2jg1 h TYR 190 Cb 0.43 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 2jg1 h TYR 190 CO -0.17 0.94 0.29 1.96 -0.00 0.00 0.00 178.16 181.18 2jg1 h GLN 191 N 0.36 0.53 -0.87 4.88 4.20 -1.12 -0.32 115.11 122.77 2jg1 h GLN 191 Ca -0.00 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.76 2jg1 h GLN 191 Cb 1.12 -0.12 -0.07 0.00 0.30 0.00 0.00 27.48 28.71 2jg1 h GLN 191 CO 0.10 0.35 0.53 1.25 -0.67 0.00 0.00 178.83 180.39 2jg1 h LEU 192 N 0.55 0.80 -0.12 1.46 5.85 -1.24 -2.42 115.31 120.19 2jg1 h LEU 192 Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2jg1 h LEU 192 Cb 0.15 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2jg1 h LEU 192 CO -0.17 0.48 -0.10 0.18 -0.34 0.00 0.00 178.44 178.50 2jg1 n LEU 193 N -4.66 0.28 -2.01 2.25 4.32 -0.85 -4.93 117.00 111.41 2jg1 n LEU 193 Ca 0.14 0.15 -0.20 0.00 -0.02 0.00 0.00 56.01 56.08 2jg1 n LEU 193 Cb 0.23 -0.26 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 2jg1 n LEU 193 CO 0.29 0.06 -0.22 0.59 -1.22 0.00 0.00 177.39 176.89 2jg1 n ASN 194 N -1.16 -5.39 -4.80 -1.43 3.02 -0.20 -4.99 115.26 100.31 2jg1 n ASN 194 Ca 0.13 0.24 -0.26 0.00 -0.03 0.00 0.00 54.58 54.66 2jg1 n ASN 194 Cb 0.28 -4.63 -0.05 0.00 -0.61 0.00 0.00 39.78 34.77 2jg1 n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2jg1 s GLN 195 N -4.38 2.89 0.35 3.52 -0.21 -0.79 -5.03 119.66 116.00 2jg1 s GLN 195 Ca 0.00 -0.90 -0.29 0.00 0.02 0.00 0.00 55.36 54.19 2jg1 s GLN 195 Cb 0.00 -2.62 -0.11 0.00 1.00 0.00 0.00 33.01 31.28 2jg1 s GLN 195 CO 0.00 0.47 1.45 -2.14 -2.12 0.00 0.00 175.29 172.96 2jg1 s PRO 196 N -3.21 4.18 0.06 2.91 0.02 -1.26 -4.47 135.00 133.23 2jg1 s PRO 196 Ca 0.31 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.50 2jg1 s PRO 196 Cb -0.10 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 2jg1 s PRO 196 CO 0.23 -0.46 1.75 -1.17 -0.33 0.00 0.00 177.00 177.02 2jg1 s LEU 197 N -1.73 4.38 -0.05 -5.54 0.20 -1.26 -4.99 118.68 109.69 2jg1 s LEU 197 Ca 0.53 2.55 -0.02 0.00 0.69 0.00 0.00 54.13 57.89 2jg1 s LEU 197 Cb -0.45 -3.55 0.03 0.00 -0.43 0.00 0.00 46.19 41.79 2jg1 s LEU 197 CO 0.58 -0.95 0.04 -0.62 -0.29 0.00 0.00 176.35 175.12 2jg1 s ASP 198 N 2.92 1.21 0.00 3.68 -1.08 -1.26 -5.04 116.67 117.09 2jg1 s ASP 198 Ca 0.78 0.04 0.28 0.00 -0.52 0.00 0.00 52.55 53.13 2jg1 s ASP 198 Cb -0.41 -0.21 1.07 0.00 -1.46 0.00 0.00 42.92 41.91 2jg1 s ASP 198 CO 0.34 -0.23 1.76 -0.62 0.52 0.00 0.00 175.17 176.94 2jg1 n GLU 199 N 5.21 1.01 -2.30 4.34 1.02 -1.26 -4.46 120.64 124.21 2jg1 n GLU 199 Ca -0.05 -0.49 -0.36 0.00 -0.02 0.00 0.00 57.16 56.24 2jg1 n GLU 199 Cb 0.50 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 2jg1 n GLU 199 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jg1 s SER 200 N -2.33 5.96 0.21 1.62 1.04 -1.26 -4.91 113.70 114.03 2jg1 s SER 200 Ca 0.31 2.18 -0.09 0.00 0.48 0.00 0.00 55.95 58.83 2jg1 s SER 200 Cb 0.20 -2.59 0.23 0.00 0.10 0.00 0.00 66.02 63.96 2jg1 s SER 200 CO 0.45 -1.05 1.82 -0.07 0.98 0.00 0.00 173.24 175.36 2jg1 h LEU 201 N 1.54 0.62 -0.86 2.42 3.38 -1.99 -2.13 115.31 118.28 2jg1 h LEU 201 Ca -0.50 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2jg1 h LEU 201 Cb 1.25 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 2jg1 h LEU 201 CO 0.58 0.41 0.17 -0.33 0.09 0.00 0.00 178.44 179.37 2jg1 h GLU 202 N 0.75 1.02 -0.25 1.13 4.39 -1.98 -0.63 114.58 119.01 2jg1 h GLU 202 Ca 0.30 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 2jg1 h GLU 202 Cb 0.13 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2jg1 h GLU 202 CO -0.16 0.89 -0.12 1.03 -1.16 0.00 0.00 179.01 179.49 2jg1 h SER 203 N 0.98 0.54 -0.94 1.42 0.87 -1.84 -2.44 113.55 112.14 2jg1 h SER 203 Ca 0.21 -0.41 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2jg1 h SER 203 Cb 0.32 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 2jg1 h SER 203 CO -0.00 0.83 0.58 -0.07 -0.53 0.00 0.00 176.83 177.64 2jg1 h LEU 204 N 0.25 1.13 -1.14 2.23 3.38 -1.23 0.56 115.31 120.49 2jg1 h LEU 204 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jg1 h LEU 204 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jg1 h LEU 204 CO 0.04 0.86 0.05 0.11 0.09 0.00 0.00 178.44 179.58 2jg1 h LYS 205 N 1.30 0.65 0.03 1.13 1.57 -1.10 -2.19 116.57 117.95 2jg1 h LYS 205 Ca 0.34 -0.14 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 2jg1 h LYS 205 Cb -0.07 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 32.16 2jg1 h LYS 205 CO -0.06 0.64 -1.06 1.96 -0.57 0.00 0.00 179.45 180.36 2jg1 h GLN 206 N 0.63 0.57 0.22 3.15 4.20 -0.91 -3.07 115.11 119.90 2jg1 h GLN 206 Ca 0.14 -0.65 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 2jg1 h GLN 206 Cb 0.32 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2jg1 h GLN 206 CO 0.01 1.26 -0.10 0.00 -0.67 0.00 0.00 178.83 179.32 2jg1 h ALA 207 N 0.50 -0.29 0.00 3.87 0.00 -0.77 -3.11 119.26 119.46 2jg1 h ALA 207 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jg1 h ALA 207 Cb 1.71 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2jg1 h ALA 207 CO 0.20 -0.60 0.00 -0.39 0.00 0.00 0.00 179.25 178.46 2jg1 h VAL 208 N -0.42 0.00 -0.46 0.00 -1.51 -1.51 -2.93 116.25 109.41 2jg1 h VAL 208 Ca -0.03 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 2jg1 h VAL 208 Cb 0.32 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2jg1 h VAL 208 CO 0.05 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.19 2jg1 n SER 209 N -2.31 2.98 -4.76 4.19 7.64 -1.16 -4.73 113.62 115.46 2jg1 n SER 209 Ca 0.03 -1.95 -0.34 0.00 1.01 0.00 0.00 58.87 57.62 2jg1 n SER 209 Cb 0.32 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 63.26 2jg1 n SER 209 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2jg1 s GLN 210 N -1.40 2.89 0.48 1.43 -0.21 -1.11 -4.93 119.66 116.81 2jg1 s GLN 210 Ca 0.38 1.57 0.24 0.00 0.02 0.00 0.00 55.36 57.57 2jg1 s GLN 210 Cb 0.21 -1.95 1.28 0.00 1.00 0.00 0.00 33.01 33.55 2jg1 s GLN 210 CO 0.28 -1.21 1.87 -1.35 -2.12 0.00 0.00 175.29 172.76 2jg1 h PRO 211 N 0.44 0.19 -0.54 2.91 0.11 -1.92 -1.38 132.00 131.81 2jg1 h PRO 211 Ca -0.48 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.76 2jg1 h PRO 211 Cb 1.27 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2jg1 h PRO 211 CO 0.54 0.13 0.38 1.25 -0.21 0.00 0.00 178.00 180.09 2jg1 h LEU 212 N 0.20 0.08 -2.60 2.35 5.85 -1.93 -1.74 115.31 117.52 2jg1 h LEU 212 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2jg1 h LEU 212 Cb 1.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.45 2jg1 h LEU 212 CO -0.10 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.53 2jg1 n PHE 213 N -4.41 1.19 -1.78 1.25 3.01 -0.52 -4.75 117.46 111.45 2jg1 n PHE 213 Ca 0.10 -0.49 -0.42 0.00 1.01 0.00 0.00 57.45 57.65 2jg1 n PHE 213 Cb 0.55 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.82 2jg1 n PHE 213 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2jg1 s GLU 214 N -1.70 4.14 -0.14 -1.08 2.56 -0.66 -2.87 118.70 118.95 2jg1 s GLU 214 Ca 0.43 2.56 0.00 0.00 0.00 0.00 0.00 54.97 57.96 2jg1 s GLU 214 Cb 0.27 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 33.33 2jg1 s GLU 214 CO 0.22 -0.68 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 2jg1 n GLY 215 N 3.23 0.51 3.54 -1.50 0.00 -1.26 -5.02 105.19 104.68 2jg1 n GLY 215 Ca 0.13 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2jg1 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jg1 s ILE 216 N -2.01 5.00 0.08 -0.61 1.01 -1.14 -4.87 121.20 118.65 2jg1 s ILE 216 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.41 2jg1 s ILE 216 Cb 0.00 -3.39 -0.17 0.00 0.01 0.00 0.00 42.46 38.91 2jg1 s ILE 216 CO 0.00 0.25 1.67 -0.08 0.00 0.00 0.00 174.94 176.78 2jg1 h GLU 217 N 8.34 -0.34 -5.09 2.79 4.81 -1.75 -3.42 114.58 119.92 2jg1 h GLU 217 Ca -0.36 0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.23 2jg1 h GLU 217 Cb 1.18 0.08 -0.33 0.00 0.63 0.00 0.00 28.75 30.31 2jg1 h GLU 217 CO 0.57 -0.21 -0.84 -1.58 -0.73 0.00 0.00 179.01 176.22 2jg1 s TRP 218 N -6.06 2.78 -0.36 0.92 0.52 0.00 -1.58 118.94 115.17 2jg1 s TRP 218 Ca -0.15 -1.43 -0.04 0.00 0.02 0.00 0.00 56.10 54.50 2jg1 s TRP 218 Cb 0.05 -1.92 0.07 0.00 -1.15 0.00 0.00 33.47 30.52 2jg1 s TRP 218 CO 0.64 -0.70 0.12 0.42 0.02 0.00 0.00 176.95 177.45 2jg1 s ILE 219 N 1.18 3.40 -0.36 2.03 1.01 -0.28 -1.28 121.20 126.91 2jg1 s ILE 219 Ca 0.02 -1.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 2jg1 s ILE 219 Cb -0.14 -3.09 0.05 0.00 0.01 0.00 0.00 42.46 39.30 2jg1 s ILE 219 CO -0.08 -0.36 0.14 -0.63 0.00 0.00 0.00 174.94 174.01 2jg1 s ILE 220 N 1.27 3.83 -0.39 2.92 1.01 -0.44 -0.85 121.20 128.55 2jg1 s ILE 220 Ca 0.01 -1.27 -0.16 0.00 0.00 0.00 0.00 60.65 59.23 2jg1 s ILE 220 Cb -0.21 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.03 2jg1 s ILE 220 CO -0.01 -0.29 0.37 -0.69 0.00 0.00 0.00 174.94 174.32 2jg1 s VAL 221 N 1.38 5.16 0.20 2.92 1.01 0.18 -3.43 120.40 127.83 2jg1 s VAL 221 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 2jg1 s VAL 221 Cb -0.21 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2jg1 s VAL 221 CO 0.02 -0.27 0.63 -0.94 0.00 0.00 0.00 175.10 174.54 2jg1 s SER 222 N 1.75 6.88 -0.11 3.32 1.04 -0.89 -0.29 113.70 125.41 2jg1 s SER 222 Ca 0.10 1.20 0.14 0.00 0.48 0.00 0.00 55.95 57.88 2jg1 s SER 222 Cb -0.17 -2.34 0.31 0.00 0.10 0.00 0.00 66.02 63.92 2jg1 s SER 222 CO 0.12 0.03 1.15 0.18 0.98 0.00 0.00 173.24 175.70 2jg1 n LEU 223 N 0.56 1.79 0.00 2.42 4.77 0.10 -2.00 117.00 124.65 2jg1 n LEU 223 Ca -0.03 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 2jg1 n LEU 223 Cb 0.52 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2jg1 n LEU 223 CO 0.43 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 2jg1 n GLY 224 N -0.69 3.54 0.33 -0.72 0.00 -1.25 -2.12 105.19 104.27 2jg1 n GLY 224 Ca 0.12 -0.13 0.22 0.00 0.00 0.00 0.00 46.02 46.24 2jg1 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 h ALA 225 N -0.98 1.01 -0.00 4.61 0.00 -1.99 -1.66 119.26 120.25 2jg1 h ALA 225 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jg1 h ALA 225 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jg1 h ALA 225 CO 0.00 0.00 -0.04 1.04 0.00 0.00 0.00 179.25 180.25 2jg1 n GLN 226 N -3.10 0.95 0.00 0.00 3.00 -0.90 -4.80 117.38 112.52 2jg1 n GLN 226 Ca -0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 2jg1 n GLN 226 Cb 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.85 2jg1 n GLN 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jg1 n GLY 227 N 1.16 1.03 3.28 1.08 0.00 -0.62 -4.57 105.19 106.54 2jg1 n GLY 227 Ca 0.19 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 2jg1 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jg1 s ALA 228 N -2.00 -0.71 -0.02 4.61 0.00 -0.89 0.01 121.76 122.76 2jg1 s ALA 228 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2jg1 s ALA 228 Cb 0.00 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2jg1 s ALA 228 CO 0.00 -0.57 -0.09 0.12 0.00 0.00 0.00 175.76 175.23 2jg1 s PHE 229 N -3.58 0.91 0.02 0.00 5.36 0.60 -0.88 117.98 120.41 2jg1 s PHE 229 Ca 0.02 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 2jg1 s PHE 229 Cb 0.02 -0.63 -0.02 0.00 -0.34 0.00 0.00 43.02 42.05 2jg1 s PHE 229 CO -0.10 -0.08 -0.03 0.00 -1.46 0.00 0.00 175.22 173.55 2jg1 s ALA 230 N 0.10 0.16 -0.17 11.12 0.00 -0.51 0.50 121.76 132.96 2jg1 s ALA 230 Ca -0.02 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2jg1 s ALA 230 Cb -0.07 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 2jg1 s ALA 230 CO 0.00 -0.16 -0.13 0.21 0.00 0.00 0.00 175.76 175.68 2jg1 s LYS 231 N -1.54 3.23 -0.30 0.00 2.20 -0.03 -0.58 119.74 122.72 2jg1 s LYS 231 Ca -0.15 -0.73 -0.01 0.00 -0.36 0.00 0.00 55.97 54.72 2jg1 s LYS 231 Cb -0.09 -2.71 0.05 0.00 -1.51 0.00 0.00 37.83 33.57 2jg1 s LYS 231 CO -0.01 -0.05 -0.01 -1.58 -0.36 0.00 0.00 175.35 173.34 2jg1 s HIS 232 N 1.00 3.28 0.00 4.03 5.65 0.49 -1.12 115.29 128.62 2jg1 s HIS 232 Ca -0.02 -1.98 0.00 0.00 0.25 0.00 0.00 55.06 53.32 2jg1 s HIS 232 Cb -0.15 -2.12 0.00 0.00 -1.18 0.00 0.00 32.58 29.13 2jg1 s HIS 232 CO -0.02 -0.82 0.00 0.09 -0.65 0.00 0.00 174.74 173.33 2jg1 n ASN 233 N 4.59 0.00 -0.23 9.88 5.03 -0.62 -0.69 115.26 133.21 2jg1 n ASN 233 Ca -0.13 0.00 0.09 0.00 0.87 0.00 0.00 54.58 55.41 2jg1 n ASN 233 Cb 0.43 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.15 2jg1 n ASN 233 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2jg1 n HIS 234 N 0.00 0.00 -3.21 3.10 8.25 -1.26 -4.97 115.22 117.13 2jg1 n HIS 234 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2jg1 n HIS 234 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2jg1 n HIS 234 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2jg1 s THR 235 N -2.35 5.12 -0.11 1.59 2.01 0.13 -5.07 115.64 116.95 2jg1 s THR 235 Ca 0.11 1.11 -0.08 0.00 0.31 0.00 0.00 61.69 63.14 2jg1 s THR 235 Cb 0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2jg1 s THR 235 CO 0.58 0.26 0.18 -0.36 -0.69 0.00 0.00 174.62 174.59 2jg1 s PHE 236 N 0.94 3.60 -0.02 4.92 0.08 -1.26 -0.38 117.98 125.86 2jg1 s PHE 236 Ca 0.29 0.58 0.05 0.00 0.12 0.00 0.00 56.93 57.97 2jg1 s PHE 236 Cb -0.16 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.26 2jg1 s PHE 236 CO 0.12 0.68 -0.18 0.71 -0.10 0.00 0.00 175.22 176.45 2jg1 s TYR 237 N -0.88 1.64 -0.13 0.36 1.51 0.25 -1.40 117.35 118.69 2jg1 s TYR 237 Ca 0.16 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2jg1 s TYR 237 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 2jg1 s TYR 237 CO 0.05 -0.05 -0.11 0.50 -1.11 0.00 0.00 175.55 174.83 2jg1 s ARG 238 N -0.34 3.43 -0.30 -0.62 6.06 0.26 -1.42 118.95 126.02 2jg1 s ARG 238 Ca 0.05 -0.65 -0.01 0.00 -2.50 0.00 0.00 55.73 52.62 2jg1 s ARG 238 Cb -0.08 -2.69 0.05 0.00 0.06 0.00 0.00 34.95 32.30 2jg1 s ARG 238 CO -0.00 0.24 -0.00 0.08 -2.50 0.00 0.00 175.30 173.11 2jg1 s VAL 239 N 0.31 2.90 -0.14 7.11 1.01 -0.06 -0.94 120.40 130.60 2jg1 s VAL 239 Ca -0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 2jg1 s VAL 239 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2jg1 s VAL 239 CO 0.05 -0.13 0.14 0.20 0.00 0.00 0.00 175.10 175.36 2jg1 s ASN 240 N 1.25 6.35 0.11 3.32 0.01 0.32 -2.10 114.94 124.20 2jg1 s ASN 240 Ca -0.05 0.42 0.06 0.00 -0.71 0.00 0.00 52.86 52.59 2jg1 s ASN 240 Cb -0.20 -2.07 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2jg1 s ASN 240 CO -0.02 0.36 -0.16 0.27 -1.51 0.00 0.00 177.10 176.05 2jg1 s ILE 241 N -0.74 1.39 0.86 0.60 -4.36 -1.26 -1.49 121.20 116.20 2jg1 s ILE 241 Ca 0.14 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 58.80 2jg1 s ILE 241 Cb -0.12 -1.46 0.11 0.00 1.25 0.00 0.00 42.46 42.24 2jg1 s ILE 241 CO 0.03 -0.31 1.10 -2.16 0.24 0.00 0.00 174.94 173.84 2jg1 s PRO 242 N -2.35 1.52 -0.19 0.37 0.04 -1.26 -4.93 135.00 128.20 2jg1 s PRO 242 Ca 0.07 1.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.95 2jg1 s PRO 242 Cb -0.07 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.63 2jg1 s PRO 242 CO 0.03 -2.13 0.75 0.99 0.04 0.00 0.00 177.00 176.68 2jg1 s THR 243 N -2.85 4.93 0.32 1.26 2.01 -1.26 -5.05 115.64 115.00 2jg1 s THR 243 Ca 0.63 1.44 0.05 0.00 0.31 0.00 0.00 61.69 64.13 2jg1 s THR 243 Cb -0.19 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 2jg1 s THR 243 CO 0.57 0.05 0.01 0.27 -0.69 0.00 0.00 174.62 174.83 2jg1 s ILE 244 N 2.11 1.51 -0.33 1.82 -4.36 -1.26 -5.10 121.20 115.59 2jg1 s ILE 244 Ca 0.34 -2.05 -0.29 0.00 -0.26 0.00 0.00 60.65 58.39 2jg1 s ILE 244 Cb -0.16 -2.70 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 2jg1 s ILE 244 CO 0.11 -0.11 1.47 -0.44 0.24 0.00 0.00 174.94 176.21 2jg1 s SER 245 N -3.51 6.38 -0.18 4.36 0.01 -1.26 -4.99 113.70 114.50 2jg1 s SER 245 Ca 0.34 1.14 -0.07 0.00 1.31 0.00 0.00 55.95 58.66 2jg1 s SER 245 Cb 0.07 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2jg1 s SER 245 CO 0.15 -1.34 0.06 -0.69 0.41 0.00 0.00 173.24 171.83 2jg1 s VAL 246 N 5.28 4.81 -0.13 3.43 1.01 -1.26 -4.22 120.40 129.32 2jg1 s VAL 246 Ca 0.64 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2jg1 s VAL 246 Cb -0.18 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2jg1 s VAL 246 CO 0.30 0.46 -0.27 0.18 0.00 0.00 0.00 175.10 175.77 2jg1 n LEU 247 N 3.50 1.69 -3.37 3.92 4.77 0.50 -4.98 117.00 123.02 2jg1 n LEU 247 Ca -0.17 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2jg1 n LEU 247 Cb 0.52 -0.64 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2jg1 n LEU 247 CO 0.35 -0.21 -0.08 0.21 -1.33 0.00 0.00 177.39 176.32 2jg1 s ASN 248 N -6.14 0.48 0.00 -1.43 2.47 -0.89 -4.92 114.94 104.52 2jg1 s ASN 248 Ca -0.24 0.10 0.29 0.00 0.42 0.00 0.00 52.86 53.43 2jg1 s ASN 248 Cb 0.05 0.97 1.26 0.00 -1.45 0.00 0.00 41.25 42.08 2jg1 s ASN 248 CO 0.34 -0.31 1.90 -0.81 -3.72 0.00 0.00 177.10 174.49 2jg1 n PRO 249 N 5.35 0.39 -1.74 0.43 -0.04 -1.26 -4.13 135.00 134.01 2jg1 n PRO 249 Ca -0.04 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2jg1 n PRO 249 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2jg1 n PRO 249 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2jg1 n VAL 250 N -1.23 0.80 -0.69 0.52 0.31 -1.26 -0.78 118.33 116.00 2jg1 n VAL 250 Ca 0.12 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2jg1 n VAL 250 Cb 0.28 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 2jg1 n VAL 250 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jg1 n GLY 251 N 2.55 0.84 0.22 2.92 0.00 -1.26 -4.26 105.19 106.20 2jg1 n GLY 251 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2jg1 n GLY 251 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jg1 h SER 252 N 0.00 0.40 -0.62 1.61 0.02 -1.24 -0.61 113.55 113.11 2jg1 h SER 252 Ca 0.00 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 2jg1 h SER 252 Cb 0.00 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2jg1 h SER 252 CO 0.00 0.71 0.06 1.23 -1.14 0.00 0.00 176.83 177.69 2jg1 h GLY 253 N 1.09 1.16 1.22 -3.77 0.00 -1.91 -0.52 103.07 100.33 2jg1 h GLY 253 Ca 0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 47.33 46.48 2jg1 h GLY 253 CO 0.06 0.74 -0.05 -0.55 0.00 0.00 0.00 176.54 176.73 2jg1 h ASP 254 N 0.99 0.92 -0.75 0.19 3.32 -1.86 -0.95 116.42 118.28 2jg1 h ASP 254 Ca 0.19 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2jg1 h ASP 254 Cb 0.49 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2jg1 h ASP 254 CO 0.02 1.00 0.33 0.28 -1.72 0.00 0.00 179.24 179.15 2jg1 h SER 255 N 0.85 1.01 -0.47 6.45 0.02 -0.93 -0.95 113.55 119.53 2jg1 h SER 255 Ca 0.15 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 2jg1 h SER 255 Cb 0.57 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2jg1 h SER 255 CO 0.03 0.89 0.29 0.74 -1.14 0.00 0.00 176.83 177.64 2jg1 h THR 256 N 1.07 1.07 -0.94 -2.27 2.02 -0.83 -1.47 112.91 111.56 2jg1 h THR 256 Ca 0.25 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2jg1 h THR 256 Cb 0.17 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2jg1 h THR 256 CO -0.03 0.11 0.62 0.58 0.37 0.00 0.00 175.52 177.18 2jg1 h VAL 257 N 0.59 1.23 -0.74 3.16 2.07 -0.82 0.10 116.25 121.85 2jg1 h VAL 257 Ca 0.18 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2jg1 h VAL 257 Cb -0.02 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.57 2jg1 h VAL 257 CO -0.07 0.23 0.46 0.00 0.02 0.00 0.00 177.57 178.22 2jg1 h ALA 258 N 1.35 0.94 0.02 1.67 0.00 -0.86 -1.38 119.26 121.01 2jg1 h ALA 258 Ca 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2jg1 h ALA 258 Cb -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.36 2jg1 h ALA 258 CO -0.08 0.39 -0.01 0.78 0.00 0.00 0.00 179.25 180.33 2jg1 h GLY 259 N 1.01 -0.03 0.39 0.00 0.00 -0.18 -1.15 103.07 103.12 2jg1 h GLY 259 Ca 0.27 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.66 2jg1 h GLY 259 CO -0.05 -0.01 -0.11 -2.22 0.00 0.00 0.00 176.54 174.14 2jg1 h ILE 260 N -0.06 0.64 -0.71 2.60 2.04 -0.74 -0.62 117.51 120.66 2jg1 h ILE 260 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2jg1 h ILE 260 Cb 0.05 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2jg1 h ILE 260 CO 0.00 0.00 0.23 0.74 0.00 0.00 0.00 178.15 179.13 2jg1 h THR 261 N -0.08 1.26 -0.40 -0.27 2.02 -1.17 0.62 112.91 114.89 2jg1 h THR 261 Ca 0.13 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.47 2jg1 h THR 261 Cb 0.28 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2jg1 h THR 261 CO -0.30 0.34 0.20 -1.28 0.37 0.00 0.00 175.52 174.85 2jg1 h SER 262 N 1.04 0.28 -0.73 4.18 0.87 -0.96 -0.65 113.55 117.57 2jg1 h SER 262 Ca 0.23 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 2jg1 h SER 262 Cb 0.29 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 2jg1 h SER 262 CO -0.01 0.21 0.31 0.00 -0.53 0.00 0.00 176.83 176.81 2jg1 h ALA 263 N 1.21 1.14 -0.07 6.23 0.00 -0.44 -2.03 119.26 125.31 2jg1 h ALA 263 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jg1 h ALA 263 Cb 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jg1 h ALA 263 CO -0.12 0.62 -0.01 0.82 0.00 0.00 0.00 179.25 180.57 2jg1 h ILE 264 N 1.08 1.27 -0.95 0.00 1.08 -0.65 -0.69 117.51 118.65 2jg1 h ILE 264 Ca 0.25 -0.85 0.16 0.00 -0.39 0.00 0.00 64.86 64.03 2jg1 h ILE 264 Cb 0.18 1.70 -0.08 0.00 -3.07 0.00 0.00 36.82 35.54 2jg1 h ILE 264 CO -0.02 0.23 0.60 0.25 -0.69 0.00 0.00 178.15 178.52 2jg1 h LEU 265 N -0.18 0.73 -2.20 1.44 5.85 -0.98 -1.99 115.31 117.98 2jg1 h LEU 265 Ca 0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jg1 h LEU 265 Cb 0.37 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2jg1 h LEU 265 CO 0.01 0.34 0.00 0.59 -0.34 0.00 0.00 178.44 179.04 2jg1 n ASN 266 N -4.62 3.24 -4.00 1.25 3.02 -0.77 -4.96 115.26 108.42 2jg1 n ASN 266 Ca 0.20 -1.97 -0.27 0.00 -0.03 0.00 0.00 54.58 52.51 2jg1 n ASN 266 Cb 0.49 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 2jg1 n ASN 266 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2jg1 n HIS 267 N 1.30 -1.66 -2.20 3.10 8.25 -0.75 -4.95 115.22 118.31 2jg1 n HIS 267 Ca 0.20 0.75 -0.33 0.00 -0.26 0.00 0.00 57.72 58.09 2jg1 n HIS 267 Cb 0.54 -3.62 -0.01 0.00 1.12 0.00 0.00 29.99 28.02 2jg1 n HIS 267 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2jg1 s GLU 268 N -6.63 3.53 1.02 -0.41 2.02 -0.34 -5.05 118.70 112.84 2jg1 s GLU 268 Ca 0.10 1.18 -0.13 0.00 0.02 0.00 0.00 54.97 56.14 2jg1 s GLU 268 Cb -0.06 -2.06 0.20 0.00 0.10 0.00 0.00 34.13 32.31 2jg1 s GLU 268 CO 0.90 -0.64 1.10 0.54 0.02 0.00 0.00 175.26 177.18 2jg1 s ASN 269 N -2.72 2.48 0.17 -0.19 2.20 -1.26 -4.72 114.94 110.90 2jg1 s ASN 269 Ca 0.63 1.09 -0.15 0.00 -0.94 0.00 0.00 52.86 53.50 2jg1 s ASN 269 Cb -0.15 -1.72 0.07 0.00 -2.00 0.00 0.00 41.25 37.45 2jg1 s ASN 269 CO 0.33 -3.21 1.81 0.44 -2.94 0.00 0.00 177.10 173.53 2jg1 h ASP 270 N -1.95 0.46 -0.20 3.54 5.19 -1.99 -0.68 116.42 120.81 2jg1 h ASP 270 Ca -0.54 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 2jg1 h ASP 270 Cb 1.33 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2jg1 h ASP 270 CO 0.57 0.33 0.07 0.45 -3.12 0.00 0.00 179.24 177.53 2jg1 h HIS 271 N 0.57 0.31 -0.56 4.55 3.86 -1.99 -2.05 115.15 119.84 2jg1 h HIS 271 Ca 0.18 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2jg1 h HIS 271 Cb -0.00 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2jg1 h HIS 271 CO -0.06 0.39 0.14 -0.44 0.86 0.00 0.00 177.93 178.82 2jg1 h ASP 272 N 0.15 0.80 -0.25 2.45 3.32 -1.87 -0.41 116.42 120.61 2jg1 h ASP 272 Ca 0.06 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2jg1 h ASP 272 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2jg1 h ASP 272 CO -0.00 0.77 0.07 0.25 -1.72 0.00 0.00 179.24 178.61 2jg1 h LEU 273 N 0.82 0.37 -0.51 1.55 6.46 -1.05 -1.14 115.31 121.80 2jg1 h LEU 273 Ca 0.18 -0.21 -0.14 0.00 -0.12 0.00 0.00 57.88 57.59 2jg1 h LEU 273 Cb 0.29 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2jg1 h LEU 273 CO -0.00 0.48 -0.34 -0.07 -0.62 0.00 0.00 178.44 177.89 2jg1 h LEU 274 N 0.23 0.89 -0.31 2.25 3.38 -1.16 -1.91 115.31 118.68 2jg1 h LEU 274 Ca 0.08 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2jg1 h LEU 274 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2jg1 h LEU 274 CO -0.00 1.14 -0.10 0.11 0.09 0.00 0.00 178.44 179.68 2jg1 h LYS 275 N 0.70 0.61 -0.39 1.13 1.57 -1.06 -2.07 116.57 117.06 2jg1 h LYS 275 Ca 0.07 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2jg1 h LYS 275 Cb 0.90 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 2jg1 h LYS 275 CO 0.08 0.81 0.21 -0.22 -0.57 0.00 0.00 179.45 179.76 2jg1 h LYS 276 N 0.38 0.55 -0.31 3.15 3.64 -1.21 0.22 116.57 122.99 2jg1 h LYS 276 Ca 0.08 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2jg1 h LYS 276 Cb 0.60 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 2jg1 h LYS 276 CO 0.03 0.46 -0.04 0.00 -2.27 0.00 0.00 179.45 177.63 2jg1 h ALA 277 N 1.07 0.24 -0.13 5.00 0.00 -1.29 -2.19 119.26 121.96 2jg1 h ALA 277 Ca 0.14 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 2jg1 h ALA 277 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jg1 h ALA 277 CO -0.02 -0.44 -0.76 -0.91 0.00 0.00 0.00 179.25 177.13 2jg1 h ASN 278 N 0.05 0.76 -0.48 0.00 4.21 -1.23 -2.69 115.58 116.20 2jg1 h ASN 278 Ca 0.15 -0.50 0.08 0.00 1.21 0.00 0.00 56.30 57.24 2jg1 h ASN 278 Cb 0.22 -0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 37.12 2jg1 h ASN 278 CO -0.28 1.28 0.08 0.74 -1.29 0.00 0.00 177.43 177.95 2jg1 h THR 279 N 0.44 0.72 -0.53 2.81 2.02 -0.84 -2.69 112.91 114.84 2jg1 h THR 279 Ca -0.04 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2jg1 h THR 279 Cb 1.37 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2jg1 h THR 279 CO 0.15 0.04 -0.06 -0.07 0.37 0.00 0.00 175.52 175.95 2jg1 h LEU 280 N 0.21 0.98 -0.72 2.58 3.38 -1.41 0.13 115.31 120.47 2jg1 h LEU 280 Ca 0.24 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jg1 h LEU 280 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jg1 h LEU 280 CO -0.32 1.08 0.00 0.61 0.09 0.00 0.00 178.44 179.89 2jg1 n GLY 281 N -0.31 0.00 1.22 0.83 0.00 -1.02 -1.46 105.19 104.46 2jg1 n GLY 281 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2jg1 n GLY 281 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jg1 n LEU 283 N 0.20 0.00 -0.29 0.99 4.77 0.45 -2.07 117.00 121.05 2jg1 n LEU 283 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 2jg1 n LEU 283 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2jg1 n LEU 283 CO 0.00 0.00 1.19 -1.13 -1.33 0.00 0.00 177.39 176.12 2jg1 h ASN 284 N 0.00 0.86 0.18 -1.43 -1.24 -1.33 -2.70 115.58 109.93 2jg1 h ASN 284 Ca 0.00 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 2jg1 h ASN 284 Cb 0.00 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 2jg1 h ASN 284 CO 0.00 0.61 -0.07 0.00 -1.29 0.00 0.00 177.43 176.67 2jg1 h ALA 285 N 1.31 1.45 -0.00 1.57 0.00 -1.57 -2.05 119.26 119.96 2jg1 h ALA 285 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2jg1 h ALA 285 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jg1 h ALA 285 CO -0.09 0.09 -0.01 1.04 0.00 0.00 0.00 179.25 180.28 2jg1 n GLN 286 N -3.82 0.25 -4.61 0.00 6.02 -1.02 -0.37 117.38 113.82 2jg1 n GLN 286 Ca -0.02 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 2jg1 n GLN 286 Cb 0.17 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.81 2jg1 n GLN 286 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jg1 s GLU 287 N -2.75 2.50 0.28 -1.09 0.41 -0.77 -4.44 118.70 112.84 2jg1 s GLU 287 Ca 0.22 -0.72 0.04 0.00 -0.41 0.00 0.00 54.97 54.10 2jg1 s GLU 287 Cb 0.20 -2.44 0.42 0.00 -1.78 0.00 0.00 34.13 30.53 2jg1 s GLU 287 CO 0.49 0.61 1.70 0.00 -0.49 0.00 0.00 175.26 177.57 2jg1 h ALA 288 N 4.84 1.09 -2.48 5.21 0.00 -1.87 -3.13 119.26 122.92 2jg1 h ALA 288 Ca -0.48 -0.38 -0.50 0.00 0.00 0.00 0.00 54.91 53.55 2jg1 h ALA 288 Cb 1.16 -0.10 0.07 0.00 0.00 0.00 0.00 17.79 18.92 2jg1 h ALA 288 CO 0.52 0.58 0.40 -0.65 0.00 0.00 0.00 179.25 180.09 2jg1 s GLN 289 N -4.29 3.31 -0.32 0.00 -0.21 -1.26 -4.77 119.66 112.12 2jg1 s GLN 289 Ca -0.06 1.45 -0.11 0.00 0.02 0.00 0.00 55.36 56.66 2jg1 s GLN 289 Cb 0.13 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.11 2jg1 s GLN 289 CO 0.78 -0.85 0.20 0.99 -2.12 0.00 0.00 175.29 174.28 2jg1 s THR 290 N -2.04 5.03 -0.01 -0.19 2.01 -1.26 -4.32 115.64 114.85 2jg1 s THR 290 Ca 0.69 -0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 2jg1 s THR 290 Cb -0.20 -3.53 -0.00 0.00 0.01 0.00 0.00 72.50 68.77 2jg1 s THR 290 CO 0.30 0.08 0.01 0.61 -0.69 0.00 0.00 174.62 174.93 2jg1 n GLY 291 N 5.05 0.64 3.07 4.40 0.00 -1.26 -4.97 105.19 112.11 2jg1 n GLY 291 Ca -0.13 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2jg1 n GLY 291 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jg1 s TYR 292 N -3.00 -0.28 0.01 1.61 5.04 -1.26 -4.33 117.35 115.14 2jg1 s TYR 292 Ca 0.00 0.68 0.02 0.00 -2.44 0.00 0.00 57.07 55.33 2jg1 s TYR 292 Cb -0.00 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.35 2jg1 s TYR 292 CO 0.01 -0.18 -0.06 0.14 -1.34 0.00 0.00 175.55 174.12 2jg1 s VAL 293 N 0.74 0.48 -0.42 3.14 -7.23 -1.26 -3.69 120.40 112.17 2jg1 s VAL 293 Ca -0.05 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 2jg1 s VAL 293 Cb -0.07 -0.45 0.06 0.00 0.56 0.00 0.00 36.38 36.49 2jg1 s VAL 293 CO -0.04 -0.02 0.28 0.21 -0.31 0.00 0.00 175.10 175.21 2jg1 s ASN 294 N -0.56 5.78 0.12 4.85 3.84 -1.26 -4.96 114.94 122.76 2jg1 s ASN 294 Ca -0.01 -1.34 0.22 0.00 0.21 0.00 0.00 52.86 51.94 2jg1 s ASN 294 Cb -0.04 -2.04 0.87 0.00 -0.55 0.00 0.00 41.25 39.48 2jg1 s ASN 294 CO -0.00 -0.53 1.67 0.18 -2.79 0.00 0.00 177.10 175.63 2jg1 n LEU 295 N 5.01 0.35 0.29 3.21 4.77 -1.26 -2.03 117.00 127.34 2jg1 n LEU 295 Ca -0.11 0.57 0.16 0.00 -0.03 0.00 0.00 56.01 56.60 2jg1 n LEU 295 Cb 0.44 -0.50 0.86 0.00 -2.33 0.00 0.00 43.42 41.89 2jg1 n LEU 295 CO 0.40 -0.31 1.04 0.78 -1.33 0.00 0.00 177.39 177.98 2jg1 h ASN 296 N 0.00 0.00 -0.47 -1.43 2.35 -2.03 -2.38 115.58 111.63 2jg1 h ASN 296 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jg1 h ASN 296 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2jg1 h ASN 296 CO 0.00 0.06 0.00 0.59 -1.65 0.00 0.00 177.43 176.43 2jg1 n ASN 297 N -3.40 3.43 0.49 5.81 3.02 -0.86 -4.70 115.26 119.05 2jg1 n ASN 297 Ca -0.02 -1.96 -0.19 0.00 -0.03 0.00 0.00 54.58 52.38 2jg1 n ASN 297 Cb 0.20 -0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 38.97 2jg1 n ASN 297 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2jg1 h TYR 298 N 3.84 -1.15 -0.58 3.10 3.20 -1.51 -3.20 116.97 120.67 2jg1 h TYR 298 Ca 0.00 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.94 2jg1 h TYR 298 Cb 0.91 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 39.48 2jg1 h TYR 298 CO 0.31 -0.71 0.16 -0.44 -1.64 0.00 0.00 178.16 175.83 2jg1 h ASP 299 N -1.32 0.08 -0.79 -2.11 3.32 -1.84 -0.77 116.42 113.00 2jg1 h ASP 299 Ca -0.13 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.06 2jg1 h ASP 299 Cb 0.95 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2jg1 h ASP 299 CO 0.21 0.05 0.52 -0.78 -1.72 0.00 0.00 179.24 177.52 2jg1 h ASP 300 N 0.30 0.83 0.22 6.45 3.58 -1.89 -0.19 116.42 125.72 2jg1 h ASP 300 Ca 0.30 -0.01 -0.34 0.00 0.42 0.00 0.00 57.03 57.40 2jg1 h ASP 300 Cb 0.41 -0.19 0.03 0.00 1.72 0.00 0.00 39.33 41.30 2jg1 h ASP 300 CO -0.35 0.57 -1.59 -0.07 -2.88 0.00 0.00 179.24 174.92 2jg1 h LEU 301 N 0.96 0.74 -0.85 2.28 3.38 -1.44 -3.30 115.31 117.08 2jg1 h LEU 301 Ca 0.32 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 57.42 2jg1 h LEU 301 Cb 0.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2jg1 h LEU 301 CO -0.09 1.74 0.52 0.15 0.09 0.00 0.00 178.44 180.85 2jg1 h PHE 302 N 0.11 0.97 0.00 1.13 3.57 -0.88 -1.99 116.94 119.85 2jg1 h PHE 302 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2jg1 h PHE 302 Cb 2.12 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.55 2jg1 h PHE 302 CO 0.12 0.49 0.00 -0.91 -2.23 0.00 0.00 178.31 175.78 2jg1 h ASN 303 N 0.95 0.00 0.05 0.41 2.35 -1.14 -2.79 115.58 115.41 2jg1 h ASN 303 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2jg1 h ASN 303 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2jg1 h ASN 303 CO -0.18 0.00 -0.49 0.00 -1.65 0.00 0.00 177.43 175.11 2jg1 n GLN 304 N -2.46 0.98 -2.79 0.81 6.02 -0.75 -4.95 117.38 114.24 2jg1 n GLN 304 Ca 0.00 -0.78 -0.41 0.00 -0.01 0.00 0.00 57.00 55.81 2jg1 n GLN 304 Cb 0.18 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 2jg1 n GLN 304 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jg1 s ILE 305 N -2.55 4.67 -0.20 5.09 1.01 -1.05 -4.54 121.20 123.62 2jg1 s ILE 305 Ca 0.18 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.74 2jg1 s ILE 305 Cb 0.18 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2jg1 s ILE 305 CO 0.60 0.28 0.00 -0.70 0.00 0.00 0.00 174.94 175.12 2jg1 s GLU 306 N 0.31 3.60 -0.22 2.79 2.12 -0.56 -4.99 118.70 121.75 2jg1 s GLU 306 Ca 0.46 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.23 2jg1 s GLU 306 Cb -0.22 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2jg1 s GLU 306 CO 0.27 -0.02 -0.04 0.08 -0.54 0.00 0.00 175.26 175.02 2jg1 s VAL 307 N 1.08 3.34 -0.08 3.70 1.01 -1.26 -0.53 120.40 127.66 2jg1 s VAL 307 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2jg1 s VAL 307 Cb -0.14 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2jg1 s VAL 307 CO 0.01 0.40 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 2jg1 s LEU 308 N 1.47 2.31 -0.07 3.92 1.43 -0.12 -4.98 118.68 122.63 2jg1 s LEU 308 Ca 0.05 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 2jg1 s LEU 308 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 2jg1 s LEU 308 CO -0.03 0.23 1.20 -1.61 0.23 0.00 0.00 176.35 176.36 2jg1 s GLU 309 N -0.05 4.34 0.00 1.70 2.02 -1.26 -0.57 118.70 124.87 2jg1 s GLU 309 Ca -0.06 1.65 0.00 0.00 0.02 0.00 0.00 54.97 56.59 2jg1 s GLU 309 Cb -0.14 -3.58 0.00 0.00 0.10 0.00 0.00 34.13 30.50 2jg1 s GLU 309 CO 0.05 -0.48 0.39 1.33 0.02 0.00 0.00 175.26 176.57