#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj1 h LYS 3 N 0.00 0.00 -0.43 4.33 6.56 -1.91 -2.93 116.57 122.19 3gj1 h LYS 3 Ca 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 3gj1 h LYS 3 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3gj1 h LYS 3 CO 0.00 0.27 0.01 0.78 -2.06 0.00 0.00 179.45 178.45 3gj1 h GLY 4 N 2.11 0.74 -0.03 3.86 0.00 -1.71 -2.39 103.07 105.64 3gj1 h GLY 4 Ca -0.00 -0.46 0.19 0.00 0.00 0.00 0.00 47.33 47.05 3gj1 h GLY 4 CO 0.03 0.43 0.42 -2.09 0.00 0.00 0.00 176.54 175.33 3gj1 h GLU 5 N 0.65 0.48 0.00 4.80 4.81 -1.62 -1.36 114.58 122.34 3gj1 h GLU 5 Ca 0.13 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3gj1 h GLU 5 Cb 0.39 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3gj1 h GLU 5 CO 0.01 0.32 0.00 0.93 -0.73 0.00 0.00 179.01 179.54 3gj1 h GLU 6 N 0.49 0.00 0.00 1.92 5.08 -1.58 -2.53 114.58 117.96 3gj1 h GLU 6 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 3gj1 h GLU 6 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3gj1 h GLU 6 CO -0.46 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.83 3gj1 n LEU 7 N -2.75 0.00 0.00 1.33 4.77 -0.51 -3.58 117.00 116.26 3gj1 n LEU 7 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3gj1 n LEU 7 Cb 0.23 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3gj1 n LEU 7 CO 0.22 -0.14 0.42 0.49 -1.33 0.00 0.00 177.39 177.06 3gj1 n PHE 8 N -1.35 0.00 0.30 -1.77 3.72 -0.95 -4.70 117.46 112.72 3gj1 n PHE 8 Ca 0.07 -0.35 0.18 0.00 -0.05 0.00 0.00 57.45 57.31 3gj1 n PHE 8 Cb 0.16 -0.03 0.84 0.00 -0.94 0.00 0.00 39.48 39.51 3gj1 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj1 h THR 9 N 0.09 0.00 -1.79 4.37 1.35 -1.68 -3.36 112.91 111.89 3gj1 h THR 9 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3gj1 h THR 9 Cb 0.38 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3gj1 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj1 n GLY 10 N -0.46 6.39 3.70 5.82 0.00 -1.26 -4.77 105.19 114.61 3gj1 n GLY 10 Ca -0.01 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3gj1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj1 s VAL 11 N 0.59 4.83 -0.12 1.61 1.01 -1.26 -4.45 120.40 122.61 3gj1 s VAL 11 Ca 0.00 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.02 3gj1 s VAL 11 Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 3gj1 s VAL 11 CO 0.00 0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.29 3gj1 s VAL 12 N 1.56 1.88 0.66 2.92 1.01 0.09 -4.96 120.40 123.56 3gj1 s VAL 12 Ca 0.49 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 3gj1 s VAL 12 Cb -0.19 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3gj1 s VAL 12 CO 0.22 0.52 1.17 -2.84 0.00 0.00 0.00 175.10 174.17 3gj1 s PRO 13 N 0.79 2.64 -0.01 2.72 0.02 -1.26 -0.33 135.00 139.57 3gj1 s PRO 13 Ca -0.09 1.65 0.03 0.00 0.02 0.00 0.00 61.00 62.61 3gj1 s PRO 13 Cb -0.16 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 3gj1 s PRO 13 CO -0.00 -1.43 -0.08 0.42 -0.33 0.00 0.00 177.00 175.58 3gj1 s ILE 14 N -1.98 0.64 -0.06 2.83 1.01 0.52 -1.30 121.20 122.86 3gj1 s ILE 14 Ca 0.73 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 61.06 3gj1 s ILE 14 Cb -0.26 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3gj1 s ILE 14 CO 0.40 0.17 -0.18 -0.22 0.00 0.00 0.00 174.94 175.11 3gj1 s LEU 15 N -0.21 1.90 -0.04 2.97 2.96 -0.71 -1.70 118.68 123.85 3gj1 s LEU 15 Ca 0.03 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3gj1 s LEU 15 Cb -0.03 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3gj1 s LEU 15 CO -0.00 0.14 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.25 3gj1 s VAL 16 N 0.22 1.79 -0.03 1.68 1.01 0.02 -0.64 120.40 124.45 3gj1 s VAL 16 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3gj1 s VAL 16 Cb -0.14 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3gj1 s VAL 16 CO 0.04 0.50 -0.02 -1.61 0.00 0.00 0.00 175.10 174.01 3gj1 s GLU 17 N -0.22 0.51 -0.02 2.72 0.41 -0.33 0.19 118.70 121.96 3gj1 s GLU 17 Ca 0.00 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 54.57 3gj1 s GLU 17 Cb -0.12 -0.60 0.00 0.00 -1.78 0.00 0.00 34.13 31.63 3gj1 s GLU 17 CO 0.02 -0.09 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.44 3gj1 s LEU 18 N 0.87 1.84 -0.12 1.80 0.20 0.23 -0.27 118.68 123.24 3gj1 s LEU 18 Ca -0.10 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.56 3gj1 s LEU 18 Cb -0.13 -0.53 -0.00 0.00 -0.43 0.00 0.00 46.19 45.10 3gj1 s LEU 18 CO -0.01 0.08 -0.19 -1.81 -0.29 0.00 0.00 176.35 174.12 3gj1 s ASP 19 N 0.09 3.44 0.12 3.68 1.01 -0.52 -1.37 116.67 123.14 3gj1 s ASP 19 Ca -0.01 -0.48 0.02 0.00 0.71 0.00 0.00 52.55 52.79 3gj1 s ASP 19 Cb -0.07 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 3gj1 s ASP 19 CO 0.00 0.15 -0.05 -0.83 0.21 0.00 0.00 175.17 174.65 3gj1 s GLY 20 N 0.42 0.91 -0.24 0.21 0.00 0.71 -1.05 107.32 108.28 3gj1 s GLY 20 Ca -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 3gj1 s GLY 20 CO 0.06 -1.48 0.39 -0.35 0.00 0.00 0.00 173.10 171.73 3gj1 s ASP 21 N -3.08 0.10 -0.17 1.64 -1.08 -0.85 -0.70 116.67 112.52 3gj1 s ASP 21 Ca 0.16 0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.56 3gj1 s ASP 21 Cb 0.05 1.19 0.03 0.00 -1.46 0.00 0.00 42.92 42.73 3gj1 s ASP 21 CO -0.02 -0.29 -0.15 -0.69 0.52 0.00 0.00 175.17 174.54 3gj1 s VAL 22 N 2.57 1.73 -1.43 1.11 1.01 -0.51 0.07 120.40 124.95 3gj1 s VAL 22 Ca 0.11 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 3gj1 s VAL 22 Cb -0.15 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.69 3gj1 s VAL 22 CO -0.15 0.43 0.66 0.59 0.00 0.00 0.00 175.10 176.62 3gj1 n ASN 23 N 4.71 -4.04 0.00 3.32 4.13 -0.02 -0.68 115.26 122.68 3gj1 n ASN 23 Ca -0.18 -0.58 0.00 0.00 1.68 0.00 0.00 54.58 55.51 3gj1 n ASN 23 Cb 0.49 -3.30 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 3gj1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gj1 n GLY 24 N -1.34 2.31 3.56 7.41 0.00 -1.26 -5.01 105.19 110.86 3gj1 n GLY 24 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3gj1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj1 s HIS 25 N -2.29 2.83 0.35 1.61 3.76 0.14 -5.02 115.29 116.66 3gj1 s HIS 25 Ca 0.00 0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 55.05 3gj1 s HIS 25 Cb 0.00 -4.16 -0.10 0.00 1.11 0.00 0.00 32.58 29.43 3gj1 s HIS 25 CO 0.00 -1.26 0.90 0.15 -0.85 0.00 0.00 174.74 173.69 3gj1 s LYS 26 N 4.10 4.37 0.19 1.40 1.02 -1.26 -1.43 119.74 128.13 3gj1 s LYS 26 Ca 0.38 1.15 -0.23 0.00 0.02 0.00 0.00 55.97 57.29 3gj1 s LYS 26 Cb -0.10 -2.56 0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3gj1 s LYS 26 CO 0.26 0.17 0.66 -0.59 -0.92 0.00 0.00 175.35 174.93 3gj1 s PHE 27 N -1.84 -0.41 0.02 3.18 -0.12 0.12 -4.95 117.98 113.98 3gj1 s PHE 27 Ca 0.54 0.12 0.01 0.00 -0.05 0.00 0.00 56.93 57.55 3gj1 s PHE 27 Cb -0.14 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.84 3gj1 s PHE 27 CO 0.19 -0.96 -0.04 -1.12 -0.05 0.00 0.00 175.22 173.24 3gj1 s SER 28 N -2.80 0.43 -0.03 1.98 0.01 -1.26 -0.21 113.70 111.82 3gj1 s SER 28 Ca 0.05 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3gj1 s SER 28 Cb -0.03 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.25 3gj1 s SER 28 CO -0.06 -0.15 -0.08 -0.69 0.41 0.00 0.00 173.24 172.67 3gj1 s VAL 29 N -0.92 0.74 -0.10 3.43 1.01 -0.47 -1.93 120.40 122.16 3gj1 s VAL 29 Ca -0.08 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3gj1 s VAL 29 Cb -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3gj1 s VAL 29 CO -0.00 0.25 -0.14 -0.44 0.00 0.00 0.00 175.10 174.76 3gj1 s SER 30 N 0.43 3.97 0.12 3.32 0.01 -0.33 -0.60 113.70 120.63 3gj1 s SER 30 Ca -0.07 -0.30 0.07 0.00 1.31 0.00 0.00 55.95 56.97 3gj1 s SER 30 Cb -0.11 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 3gj1 s SER 30 CO 0.01 0.22 -0.18 -0.83 0.41 0.00 0.00 173.24 172.87 3gj1 s GLY 31 N -0.00 1.21 -0.01 3.44 0.00 0.13 -0.60 107.32 111.49 3gj1 s GLY 31 Ca -0.04 -1.31 -0.15 0.00 0.00 0.00 0.00 44.72 43.22 3gj1 s GLY 31 CO 0.04 -1.34 0.31 -1.83 0.00 0.00 0.00 173.10 170.28 3gj1 s GLU 32 N -2.35 0.69 0.00 2.90 4.04 -0.28 -0.80 118.70 122.90 3gj1 s GLU 32 Ca 0.09 -0.22 0.00 0.00 0.04 0.00 0.00 54.97 54.88 3gj1 s GLU 32 Cb -0.07 0.30 0.00 0.00 0.02 0.00 0.00 34.13 34.38 3gj1 s GLU 32 CO 0.04 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.68 3gj1 n GLY 33 N 1.20 -0.91 3.40 -3.83 0.00 -0.69 -0.93 105.19 103.43 3gj1 n GLY 33 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 3gj1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj1 s GLU 34 N -0.40 1.12 0.07 1.61 -1.05 -0.41 -0.36 118.70 119.28 3gj1 s GLU 34 Ca 0.00 -0.35 0.06 0.00 -0.15 0.00 0.00 54.97 54.53 3gj1 s GLU 34 Cb 0.00 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.17 3gj1 s GLU 34 CO 0.00 -0.44 -0.18 0.20 0.95 0.00 0.00 175.26 175.80 3gj1 s GLY 35 N -2.30 1.02 -0.34 -3.83 0.00 0.55 -1.58 107.32 100.84 3gj1 s GLY 35 Ca -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 3gj1 s GLY 35 CO -0.06 -1.04 0.14 -0.35 0.00 0.00 0.00 173.10 171.79 3gj1 s ASP 36 N -1.57 3.73 0.48 1.64 -1.08 0.02 -0.73 116.67 119.16 3gj1 s ASP 36 Ca 0.03 -1.83 0.31 0.00 -0.52 0.00 0.00 52.55 50.54 3gj1 s ASP 36 Cb -0.09 -0.74 1.25 0.00 -1.46 0.00 0.00 42.92 41.88 3gj1 s ASP 36 CO 0.03 -0.38 1.91 0.00 0.52 0.00 0.00 175.17 177.25 3gj1 h ALA 37 N 7.75 1.00 -0.95 3.66 0.00 -1.72 -0.11 119.26 128.90 3gj1 h ALA 37 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3gj1 h ALA 37 Cb 0.99 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3gj1 h ALA 37 CO 0.44 0.00 0.60 1.15 0.00 0.00 0.00 179.25 181.44 3gj1 h THR 38 N 0.00 1.05 -0.00 0.00 2.02 -1.86 -2.77 112.91 111.34 3gj1 h THR 38 Ca 0.00 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3gj1 h THR 38 Cb 0.49 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3gj1 h THR 38 CO 0.00 0.20 -0.86 -1.22 0.37 0.00 0.00 175.52 174.00 3gj1 n TYR 39 N -4.57 0.00 -1.75 3.16 4.01 -0.55 -4.93 117.16 112.54 3gj1 n TYR 39 Ca 0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.80 3gj1 n TYR 39 Cb 0.20 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3gj1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj1 n GLY 40 N 1.49 0.47 3.65 2.72 0.00 -0.16 -4.72 105.19 108.64 3gj1 n GLY 40 Ca 0.05 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 3gj1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 41 N -3.65 3.44 -0.02 1.61 2.20 -0.78 -0.13 119.74 122.41 3gj1 s LYS 41 Ca 0.00 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 3gj1 s LYS 41 Cb 0.00 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3gj1 s LYS 41 CO 0.00 0.50 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.81 3gj1 s LEU 42 N -0.30 2.00 -0.15 5.43 1.43 -0.32 -0.80 118.68 125.97 3gj1 s LEU 42 Ca 0.07 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3gj1 s LEU 42 Cb -0.12 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.27 3gj1 s LEU 42 CO 0.02 0.19 -0.06 -0.89 0.23 0.00 0.00 176.35 175.84 3gj1 s THR 43 N -0.29 1.04 0.01 5.49 2.01 -0.61 -1.63 115.64 121.66 3gj1 s THR 43 Ca 0.04 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 3gj1 s THR 43 Cb -0.07 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 3gj1 s THR 43 CO -0.00 0.21 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.37 3gj1 s LEU 44 N 1.68 2.10 -0.09 4.42 1.43 -0.58 -1.29 118.68 126.34 3gj1 s LEU 44 Ca 0.02 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3gj1 s LEU 44 Cb -0.14 0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.24 3gj1 s LEU 44 CO -0.08 -0.24 -0.15 -0.75 0.23 0.00 0.00 176.35 175.37 3gj1 s LYS 45 N -1.10 2.06 0.00 1.70 2.20 -0.11 -0.61 119.74 123.89 3gj1 s LYS 45 Ca -0.12 -0.52 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 3gj1 s LYS 45 Cb -0.07 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 3gj1 s LYS 45 CO -0.00 0.01 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.82 3gj1 s PHE 46 N 0.77 2.78 -0.03 4.03 0.08 0.31 -1.12 117.98 124.80 3gj1 s PHE 46 Ca -0.12 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.86 3gj1 s PHE 46 Cb -0.16 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.71 3gj1 s PHE 46 CO 0.02 0.32 -0.12 0.42 -0.10 0.00 0.00 175.22 175.76 3gj1 s ILE 47 N -0.94 1.01 -0.63 0.64 1.01 0.23 -1.21 121.20 121.31 3gj1 s ILE 47 Ca 0.16 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.06 3gj1 s ILE 47 Cb -0.11 -0.88 0.04 0.00 0.01 0.00 0.00 42.46 41.53 3gj1 s ILE 47 CO 0.06 0.30 1.07 0.00 0.00 0.00 0.00 174.94 176.37 3gj1 n THR 49 N 6.24 0.62 0.53 0.00 -2.24 -0.81 -2.72 114.28 115.89 3gj1 n THR 49 Ca 0.02 -0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 3gj1 n THR 49 Cb 0.47 -0.80 0.27 0.00 -2.10 0.00 0.00 70.33 68.17 3gj1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj1 n THR 50 N -2.02 0.53 0.00 4.28 -2.24 -1.24 -4.99 114.28 108.61 3gj1 n THR 50 Ca 0.04 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3gj1 n THR 50 Cb 0.32 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3gj1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj1 n GLY 51 N 1.34 0.24 3.83 3.38 0.00 -1.10 -4.99 105.19 107.89 3gj1 n GLY 51 Ca 0.18 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 3gj1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj1 s LYS 52 N 0.00 3.96 0.13 1.61 -0.14 -1.26 -4.42 119.74 119.63 3gj1 s LYS 52 Ca 0.00 0.46 -0.31 0.00 -1.36 0.00 0.00 55.97 54.77 3gj1 s LYS 52 Cb 0.00 -3.21 -0.07 0.00 -1.68 0.00 0.00 37.83 32.86 3gj1 s LYS 52 CO 0.00 0.68 1.28 -1.17 -0.76 0.00 0.00 175.35 175.38 3gj1 s LEU 53 N -1.12 4.40 0.03 3.17 2.96 -1.26 -4.90 118.68 121.96 3gj1 s LEU 53 Ca 0.25 2.23 0.25 0.00 -0.22 0.00 0.00 54.13 56.64 3gj1 s LEU 53 Cb -0.17 -3.59 1.02 0.00 0.50 0.00 0.00 46.19 43.94 3gj1 s LEU 53 CO 0.15 -0.51 1.78 -0.81 -1.32 0.00 0.00 176.35 175.63 3gj1 n PRO 54 N 3.36 0.03 -4.35 0.98 -0.04 -1.26 -4.78 135.00 128.93 3gj1 n PRO 54 Ca 0.08 0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.46 3gj1 n PRO 54 Cb 0.44 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 3gj1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj1 s VAL 55 N -3.02 1.56 0.33 0.52 -7.23 -1.26 -4.72 120.40 106.56 3gj1 s VAL 55 Ca 0.11 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 57.85 3gj1 s VAL 55 Cb 0.15 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 3gj1 s VAL 55 CO 0.46 -0.51 1.34 -2.84 -0.31 0.00 0.00 175.10 173.23 3gj1 s PRO 56 N -3.70 4.32 0.27 4.82 0.02 -1.26 -4.92 135.00 134.55 3gj1 s PRO 56 Ca 0.24 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3gj1 s PRO 56 Cb 0.02 -3.07 0.64 0.00 0.02 0.00 0.00 34.50 32.11 3gj1 s PRO 56 CO 0.07 -0.25 1.68 -1.49 -0.33 0.00 0.00 177.00 176.68 3gj1 h TRP 57 N 3.53 0.42 0.00 6.54 4.06 -1.97 -1.65 115.95 126.88 3gj1 h TRP 57 Ca -0.49 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.50 3gj1 h TRP 57 Cb 1.23 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3gj1 h TRP 57 CO 0.56 -0.12 -0.05 -1.35 -3.56 0.00 0.00 178.44 173.93 3gj1 h PRO 58 N 0.29 0.00 0.00 0.49 0.11 -1.89 -1.64 132.00 129.37 3gj1 h PRO 58 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3gj1 h PRO 58 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3gj1 h PRO 58 CO -0.57 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 177.52 3gj1 n THR 59 N -3.40 0.76 1.04 -1.15 -2.24 -0.62 -2.51 114.28 106.17 3gj1 n THR 59 Ca -0.02 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 3gj1 n THR 59 Cb 0.18 -1.00 0.07 0.00 -2.10 0.00 0.00 70.33 67.48 3gj1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gj1 n LEU 60 N -2.21 1.18 -0.17 3.22 4.77 -0.62 -4.65 117.00 118.54 3gj1 n LEU 60 Ca 0.03 -0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 3gj1 n LEU 60 Cb 0.28 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.37 3gj1 n LEU 60 CO 0.22 0.25 0.88 0.58 -1.33 0.00 0.00 177.39 177.99 3gj1 h VAL 61 N 0.86 0.65 0.00 4.08 2.07 -1.51 -1.07 116.25 121.34 3gj1 h VAL 61 Ca 0.00 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3gj1 h VAL 61 Cb 0.57 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3gj1 h VAL 61 CO 0.00 0.03 -0.33 0.71 0.02 0.00 0.00 177.57 178.01 3gj1 h THR 62 N 0.18 1.20 -0.11 2.57 1.35 -1.82 -2.90 112.91 113.37 3gj1 h THR 62 Ca 0.26 -1.13 -0.12 0.00 -0.55 0.00 0.00 66.41 64.88 3gj1 h THR 62 Cb 0.38 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3gj1 h THR 62 CO -0.38 0.32 -0.38 0.74 -0.25 0.00 0.00 175.52 175.56 3gj1 h THR 63 N 0.00 1.38 0.00 6.82 2.02 -1.59 -3.45 112.91 118.09 3gj1 h THR 63 Ca -0.00 -1.70 -0.19 0.00 0.77 0.00 0.00 66.41 65.28 3gj1 h THR 63 Cb 0.59 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3gj1 h THR 63 CO 0.04 0.51 1.07 0.49 0.37 0.00 0.00 175.52 178.00 3gj1 n PHE 64 N -4.34 0.51 0.00 3.16 3.72 -0.51 -5.03 117.46 114.97 3gj1 n PHE 64 Ca -0.07 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.15 3gj1 n PHE 64 Cb 0.53 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 3gj1 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj1 n VAL 68 N 3.42 0.00 0.81 -4.37 0.24 -1.26 -4.98 118.33 112.19 3gj1 n VAL 68 Ca 0.29 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.66 3gj1 n VAL 68 Cb 0.30 0.00 0.41 0.00 -1.47 0.00 0.00 33.84 33.08 3gj1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj1 n GLN 69 N 0.00 0.33 0.32 7.34 6.02 -1.26 -1.37 117.38 128.77 3gj1 n GLN 69 Ca 0.00 0.08 0.20 0.00 -0.01 0.00 0.00 57.00 57.27 3gj1 n GLN 69 Cb 0.00 -1.50 1.06 0.00 1.02 0.00 0.00 30.24 30.82 3gj1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj1 n PHE 71 N -2.96 0.12 -1.81 0.00 3.72 -0.47 -4.70 117.46 111.36 3gj1 n PHE 71 Ca -0.03 -0.06 -0.39 0.00 -0.05 0.00 0.00 57.45 56.93 3gj1 n PHE 71 Cb 0.16 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3gj1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj1 s SER 72 N -1.70 5.51 -0.44 4.37 0.01 -0.90 -4.10 113.70 116.45 3gj1 s SER 72 Ca 0.34 2.79 -0.25 0.00 1.31 0.00 0.00 55.95 60.15 3gj1 s SER 72 Cb 0.18 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.79 3gj1 s SER 72 CO 0.28 -1.41 0.87 -0.60 0.41 0.00 0.00 173.24 172.79 3gj1 s ARG 73 N -2.75 3.55 -0.21 12.44 3.52 -0.60 -4.81 118.95 130.09 3gj1 s ARG 73 Ca 0.68 0.14 -0.20 0.00 -0.13 0.00 0.00 55.73 56.21 3gj1 s ARG 73 Cb -0.41 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 3gj1 s ARG 73 CO 0.50 -1.13 0.60 0.71 -0.81 0.00 0.00 175.30 175.17 3gj1 s TYR 74 N 3.54 3.36 0.74 5.12 1.51 -1.26 -1.04 117.35 129.31 3gj1 s TYR 74 Ca 0.35 0.87 -0.15 0.00 -1.01 0.00 0.00 57.07 57.12 3gj1 s TYR 74 Cb -0.11 -2.77 0.04 0.00 -0.11 0.00 0.00 41.96 39.01 3gj1 s TYR 74 CO 0.24 -0.18 1.23 -2.30 -1.11 0.00 0.00 175.55 173.43 3gj1 n PRO 75 N 5.10 0.57 -0.32 -1.71 -0.02 -1.26 -4.81 135.00 132.54 3gj1 n PRO 75 Ca -0.02 0.26 0.05 0.00 -2.02 0.00 0.00 63.50 61.77 3gj1 n PRO 75 Cb 0.50 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.64 3gj1 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gj1 h ASP 76 N -0.31 -0.78 0.36 2.55 3.45 -2.00 -0.84 116.42 118.84 3gj1 h ASP 76 Ca -0.48 0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.24 3gj1 h ASP 76 Cb 1.32 0.54 0.00 0.00 -0.56 0.00 0.00 39.33 40.63 3gj1 h ASP 76 CO 0.49 -0.29 0.00 1.12 -1.57 0.00 0.00 179.24 178.98 3gj1 h HIS 77 N 0.01 0.00 -0.28 4.55 2.07 -2.00 -2.22 115.15 117.27 3gj1 h HIS 77 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3gj1 h HIS 77 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 3gj1 h HIS 77 CO -0.67 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 172.86 3gj1 n MET 78 N -2.40 2.85 0.12 5.12 2.81 -0.33 -4.77 117.12 120.51 3gj1 n MET 78 Ca -0.00 -2.29 0.17 0.00 -1.81 0.00 0.00 57.70 53.77 3gj1 n MET 78 Cb 0.13 -1.45 0.74 0.00 -0.71 0.00 0.00 33.22 31.93 3gj1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj1 h LYS 79 N 1.73 0.00 -0.00 0.03 1.57 -1.26 -1.31 116.57 117.33 3gj1 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj1 h LYS 79 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3gj1 h LYS 79 CO 0.07 0.00 -0.03 2.89 -0.57 0.00 0.00 179.45 181.81 3gj1 n ARG 80 N -4.14 0.83 -0.32 3.15 1.85 -1.26 -2.97 116.66 113.80 3gj1 n ARG 80 Ca 0.05 -0.15 0.11 0.00 -1.00 0.00 0.00 57.85 56.85 3gj1 n ARG 80 Cb 0.43 -1.50 0.29 0.00 -1.05 0.00 0.00 32.46 30.63 3gj1 n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3gj1 n HIS 81 N -0.95 0.84 -2.94 2.89 8.25 -0.49 -4.62 115.22 118.19 3gj1 n HIS 81 Ca 0.19 -0.46 -0.44 0.00 -0.26 0.00 0.00 57.72 56.74 3gj1 n HIS 81 Cb 0.21 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 3gj1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj1 s ASP 82 N -1.06 6.82 0.25 0.41 -1.08 -1.16 -4.55 116.67 116.31 3gj1 s ASP 82 Ca 0.44 -2.46 -0.04 0.00 -0.52 0.00 0.00 52.55 49.98 3gj1 s ASP 82 Cb 0.23 -2.40 0.30 0.00 -1.46 0.00 0.00 42.92 39.60 3gj1 s ASP 82 CO 0.31 -0.92 1.79 0.15 0.52 0.00 0.00 175.17 177.02 3gj1 h PHE 83 N 8.11 0.98 -0.29 -5.34 3.57 -1.89 -2.97 116.94 119.11 3gj1 h PHE 83 Ca 0.22 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 3gj1 h PHE 83 Cb 0.96 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3gj1 h PHE 83 CO 1.14 0.80 -0.24 0.74 -2.23 0.00 0.00 178.31 178.52 3gj1 h PHE 84 N 0.91 0.81 -0.07 0.41 0.04 -1.89 -2.32 116.94 114.84 3gj1 h PHE 84 Ca 0.20 -0.23 -0.17 0.00 2.80 0.00 0.00 57.97 60.57 3gj1 h PHE 84 Cb 0.31 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3gj1 h PHE 84 CO 0.02 0.96 -0.70 0.87 -0.60 0.00 0.00 178.31 178.86 3gj1 h LYS 85 N 0.43 0.32 -0.17 1.51 1.57 -1.84 -3.18 116.57 115.21 3gj1 h LYS 85 Ca 0.05 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3gj1 h LYS 85 Cb 0.80 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3gj1 h LYS 85 CO 0.06 0.90 0.12 0.66 -0.57 0.00 0.00 179.45 180.62 3gj1 h SER 86 N 0.22 0.00 1.08 0.86 4.64 -1.27 -2.27 113.55 116.81 3gj1 h SER 86 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gj1 h SER 86 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gj1 h SER 86 CO 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 3gj1 n ALA 87 N -2.57 2.15 -2.33 5.18 0.00 -0.92 -4.63 120.51 117.38 3gj1 n ALA 87 Ca 0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.10 3gj1 n ALA 87 Cb 0.26 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 3gj1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj1 s MET 88 N -3.07 3.78 0.25 0.00 1.00 -0.85 -0.24 119.30 120.17 3gj1 s MET 88 Ca 0.11 0.32 0.26 0.00 0.00 0.00 0.00 55.69 56.37 3gj1 s MET 88 Cb 0.14 -2.54 0.81 0.00 0.00 0.00 0.00 34.83 33.24 3gj1 s MET 88 CO 0.50 0.16 1.75 -1.00 0.00 0.00 0.00 175.02 176.44 3gj1 h PRO 89 N 1.89 0.00 0.00 2.03 0.13 -1.89 -3.35 132.00 130.82 3gj1 h PRO 89 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 3gj1 h PRO 89 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3gj1 h PRO 89 CO 0.66 0.00 -0.36 0.93 -0.23 0.00 0.00 178.00 179.00 3gj1 h GLU 90 N 0.00 0.00 0.00 0.86 3.07 -1.89 -1.96 114.58 114.66 3gj1 h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gj1 h GLU 90 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 3gj1 h GLU 90 CO 0.00 0.36 0.00 0.41 -1.40 0.00 0.00 179.01 178.38 3gj1 n GLY 91 N -0.43 -2.43 3.06 -3.84 0.00 0.67 -4.57 105.19 97.64 3gj1 n GLY 91 Ca -0.02 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 3gj1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj1 s TYR 92 N -0.30 0.47 -0.05 1.61 -0.85 -0.18 -1.24 117.35 116.82 3gj1 s TYR 92 Ca 0.00 -0.88 -0.17 0.00 -0.52 0.00 0.00 57.07 55.50 3gj1 s TYR 92 Cb 0.00 -0.34 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 3gj1 s TYR 92 CO 0.00 -0.30 0.46 0.08 -1.52 0.00 0.00 175.55 174.27 3gj1 s VAL 93 N -3.07 5.06 -0.10 -3.49 1.01 0.09 -0.49 120.40 119.41 3gj1 s VAL 93 Ca -0.00 0.94 0.03 0.00 0.00 0.00 0.00 61.98 62.95 3gj1 s VAL 93 Cb 0.02 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3gj1 s VAL 93 CO -0.07 0.46 -0.19 -1.58 0.00 0.00 0.00 175.10 173.72 3gj1 s GLN 94 N -0.27 2.57 -0.01 2.72 0.74 0.19 -1.40 119.66 124.20 3gj1 s GLN 94 Ca 0.25 -0.70 0.05 0.00 0.05 0.00 0.00 55.36 55.01 3gj1 s GLN 94 Cb -0.16 -2.04 -0.01 0.00 1.10 0.00 0.00 33.01 31.89 3gj1 s GLN 94 CO 0.13 0.05 -0.16 -1.21 -0.55 0.00 0.00 175.29 173.55 3gj1 s GLU 95 N 0.65 1.28 0.05 1.67 2.02 -0.16 -0.64 118.70 123.57 3gj1 s GLU 95 Ca -0.13 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.27 3gj1 s GLU 95 Cb -0.16 -1.25 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 3gj1 s GLU 95 CO 0.03 0.34 -0.04 1.03 0.02 0.00 0.00 175.26 176.64 3gj1 s ARG 96 N -0.45 0.54 -0.05 1.61 0.52 -0.58 -0.64 118.95 119.90 3gj1 s ARG 96 Ca 0.06 -0.97 0.05 0.00 -0.52 0.00 0.00 55.73 54.35 3gj1 s ARG 96 Cb -0.06 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 3gj1 s ARG 96 CO -0.00 -0.05 -0.18 0.95 0.02 0.00 0.00 175.30 176.04 3gj1 s THR 97 N -2.65 2.72 -0.17 0.02 -4.23 -0.38 -1.16 115.64 109.79 3gj1 s THR 97 Ca -0.02 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3gj1 s THR 97 Cb -0.01 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.82 3gj1 s THR 97 CO -0.04 0.58 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.87 3gj1 s ILE 98 N -0.60 1.53 -0.34 2.99 1.01 -0.41 -0.98 121.20 124.41 3gj1 s ILE 98 Ca 0.09 -0.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 3gj1 s ILE 98 Cb -0.11 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3gj1 s ILE 98 CO 0.01 0.31 0.16 -0.55 0.00 0.00 0.00 174.94 174.86 3gj1 s SER 99 N 1.47 5.55 -0.15 3.58 0.15 0.40 -0.40 113.70 124.31 3gj1 s SER 99 Ca 0.02 -0.80 -0.26 0.00 0.70 0.00 0.00 55.95 55.61 3gj1 s SER 99 Cb -0.14 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 3gj1 s SER 99 CO -0.09 -0.29 0.86 -0.36 1.20 0.00 0.00 173.24 174.57 3gj1 s PHE 100 N 1.56 3.45 -0.22 3.44 0.08 -0.81 -0.52 117.98 124.96 3gj1 s PHE 100 Ca 0.03 1.33 -0.38 0.00 0.12 0.00 0.00 56.93 58.02 3gj1 s PHE 100 Cb -0.18 -3.04 -0.15 0.00 -0.57 0.00 0.00 43.02 39.08 3gj1 s PHE 100 CO 0.06 -0.22 1.77 1.17 -0.10 0.00 0.00 175.22 177.90 3gj1 n LYS 101 N 5.13 1.43 -3.22 0.44 3.00 -0.60 -1.25 118.16 123.08 3gj1 n LYS 101 Ca 0.05 0.53 -0.22 0.00 -0.00 0.00 0.00 58.31 58.67 3gj1 n LYS 101 Cb 0.49 -2.25 0.05 0.00 0.00 0.00 0.00 35.03 33.32 3gj1 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gj1 n ASP 102 N 5.66 -6.01 -0.52 3.14 8.00 -1.26 -4.90 116.55 120.66 3gj1 n ASP 102 Ca 0.25 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3gj1 n ASP 102 Cb 0.17 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 3gj1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj1 n ASP 103 N -2.48 0.00 -2.45 -2.24 -0.08 -0.38 -4.96 116.55 103.95 3gj1 n ASP 103 Ca -0.06 -0.52 -0.06 0.00 -1.51 0.00 0.00 54.79 52.65 3gj1 n ASP 103 Cb 0.59 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.09 3gj1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj1 n GLY 104 N 0.00 -1.55 3.13 0.27 0.00 -1.21 -4.55 105.19 101.28 3gj1 n GLY 104 Ca 0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 3gj1 n GLY 104 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gj1 s ASN 105 N -1.95 1.42 0.10 1.61 0.01 -0.80 -1.92 114.94 113.40 3gj1 s ASN 105 Ca 0.14 -0.56 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 3gj1 s ASN 105 Cb -0.01 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 3gj1 s ASN 105 CO 0.10 -0.09 0.15 -0.31 -1.51 0.00 0.00 177.10 175.44 3gj1 s TYR 106 N -1.21 3.30 -0.09 2.20 2.02 0.46 -1.90 117.35 122.14 3gj1 s TYR 106 Ca -0.04 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3gj1 s TYR 106 Cb -0.09 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3gj1 s TYR 106 CO 0.02 0.54 -0.13 0.21 -1.57 0.00 0.00 175.55 174.61 3gj1 s LYS 107 N -2.65 1.94 0.09 -0.62 2.20 -0.28 -1.29 119.74 119.12 3gj1 s LYS 107 Ca 0.32 -0.47 0.07 0.00 -0.36 0.00 0.00 55.97 55.53 3gj1 s LYS 107 Cb -0.12 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 3gj1 s LYS 107 CO 0.25 -0.05 -0.18 0.95 -0.36 0.00 0.00 175.35 175.96 3gj1 s THR 108 N 0.93 1.45 -0.03 3.43 -4.23 -0.31 -1.27 115.64 115.62 3gj1 s THR 108 Ca -0.09 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 3gj1 s THR 108 Cb -0.15 -1.34 0.03 0.00 1.34 0.00 0.00 72.50 72.37 3gj1 s THR 108 CO 0.00 -0.12 0.04 -0.60 -0.54 0.00 0.00 174.62 173.40 3gj1 s ARG 109 N -1.81 -0.04 0.08 3.99 3.52 -0.63 -1.53 118.95 122.54 3gj1 s ARG 109 Ca 0.03 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 55.92 3gj1 s ARG 109 Cb -0.10 -0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 3gj1 s ARG 109 CO 0.03 -0.22 -0.11 0.00 -0.81 0.00 0.00 175.30 174.18 3gj1 s ALA 110 N 1.46 1.10 -0.15 6.12 0.00 0.19 -1.30 121.76 129.18 3gj1 s ALA 110 Ca -0.04 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3gj1 s ALA 110 Cb -0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3gj1 s ALA 110 CO -0.03 0.04 -0.11 -1.21 0.00 0.00 0.00 175.76 174.45 3gj1 s GLU 111 N -2.30 3.39 -0.18 0.00 2.02 -0.68 -0.63 118.70 120.31 3gj1 s GLU 111 Ca 0.02 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.32 3gj1 s GLU 111 Cb -0.06 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 3gj1 s GLU 111 CO 0.01 0.12 -0.12 0.08 0.02 0.00 0.00 175.26 175.38 3gj1 s VAL 112 N 0.60 2.87 0.14 2.63 1.01 0.36 -1.60 120.40 126.41 3gj1 s VAL 112 Ca -0.07 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3gj1 s VAL 112 Cb -0.15 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.04 3gj1 s VAL 112 CO 0.03 0.48 0.84 -1.59 0.00 0.00 0.00 175.10 174.86 3gj1 s LYS 113 N 1.13 1.25 0.20 2.72 -2.85 -0.67 -1.01 119.74 120.51 3gj1 s LYS 113 Ca 0.01 -0.62 -0.30 0.00 -1.00 0.00 0.00 55.97 54.06 3gj1 s LYS 113 Cb -0.14 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.02 3gj1 s LYS 113 CO -0.04 -0.56 0.99 -0.06 0.10 0.00 0.00 175.35 175.78 3gj1 s PHE 114 N -3.45 3.83 -0.27 1.78 0.40 -0.74 -0.94 117.98 118.59 3gj1 s PHE 114 Ca 0.09 1.81 -0.00 0.00 -0.60 0.00 0.00 56.93 58.23 3gj1 s PHE 114 Cb -0.02 -3.08 0.08 0.00 0.51 0.00 0.00 43.02 40.51 3gj1 s PHE 114 CO -0.02 0.10 0.05 -2.00 0.70 0.00 0.00 175.22 174.05 3gj1 s GLU 115 N -0.81 0.97 4.32 0.44 2.12 0.07 -4.92 118.70 120.89 3gj1 s GLU 115 Ca 0.44 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.78 3gj1 s GLU 115 Cb -0.27 -2.26 0.00 0.00 0.26 0.00 0.00 34.13 31.86 3gj1 s GLU 115 CO 0.33 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 3gj1 n GLY 116 N 4.80 1.08 0.79 -1.50 0.00 -1.26 -2.68 105.19 106.42 3gj1 n GLY 116 Ca -0.05 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.31 3gj1 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj1 n ASP 117 N 0.68 2.30 -4.77 1.61 8.00 -1.26 -4.87 116.55 118.24 3gj1 n ASP 117 Ca 0.00 -1.98 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 3gj1 n ASP 117 Cb 0.00 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 3gj1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gj1 s THR 118 N -1.44 5.03 -0.24 -3.53 2.01 -1.09 -4.45 115.64 111.92 3gj1 s THR 118 Ca 0.29 0.04 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 3gj1 s THR 118 Cb 0.15 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 3gj1 s THR 118 CO 0.20 0.58 0.55 -0.22 -0.69 0.00 0.00 174.62 175.04 3gj1 s LEU 119 N -0.64 4.08 -0.10 4.42 1.98 -0.42 -0.75 118.68 127.24 3gj1 s LEU 119 Ca 0.12 0.63 0.02 0.00 -2.89 0.00 0.00 54.13 52.00 3gj1 s LEU 119 Cb -0.12 -2.74 -0.01 0.00 0.66 0.00 0.00 46.19 43.98 3gj1 s LEU 119 CO 0.02 -0.29 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.34 3gj1 s VAL 120 N 2.20 2.75 -0.33 1.68 1.01 -0.12 -1.73 120.40 125.86 3gj1 s VAL 120 Ca 0.24 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3gj1 s VAL 120 Cb -0.16 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.18 3gj1 s VAL 120 CO 0.09 0.55 0.07 0.21 0.00 0.00 0.00 175.10 176.02 3gj1 s ASN 121 N 0.11 5.05 -0.19 3.32 2.47 0.19 -1.68 114.94 124.22 3gj1 s ASN 121 Ca -0.08 -1.45 -0.04 0.00 0.42 0.00 0.00 52.86 51.72 3gj1 s ASN 121 Cb -0.15 -1.77 -0.02 0.00 -1.45 0.00 0.00 41.25 37.86 3gj1 s ASN 121 CO 0.05 -0.34 -0.04 -0.60 -3.72 0.00 0.00 177.10 172.44 3gj1 s ARG 122 N 1.25 3.50 0.02 0.43 3.52 -0.62 -1.19 118.95 125.85 3gj1 s ARG 122 Ca -0.01 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.05 3gj1 s ARG 122 Cb -0.20 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 3gj1 s ARG 122 CO -0.01 0.02 -0.15 0.42 -0.81 0.00 0.00 175.30 174.76 3gj1 s ILE 123 N 0.93 1.20 -0.11 4.11 1.01 0.63 -1.69 121.20 127.28 3gj1 s ILE 123 Ca -0.00 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3gj1 s ILE 123 Cb -0.15 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 3gj1 s ILE 123 CO 0.01 0.18 -0.17 -1.61 0.00 0.00 0.00 174.94 173.35 3gj1 s GLU 124 N -0.77 3.14 -0.03 2.79 2.02 -0.42 -1.43 118.70 124.00 3gj1 s GLU 124 Ca 0.04 -0.75 0.03 0.00 0.02 0.00 0.00 54.97 54.31 3gj1 s GLU 124 Cb -0.07 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3gj1 s GLU 124 CO 0.00 0.27 -0.11 -1.17 0.02 0.00 0.00 175.26 174.27 3gj1 s LEU 125 N 0.19 1.82 -0.10 1.80 0.20 -0.21 -1.60 118.68 120.77 3gj1 s LEU 125 Ca -0.10 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.51 3gj1 s LEU 125 Cb -0.16 -0.67 0.01 0.00 -0.43 0.00 0.00 46.19 44.94 3gj1 s LEU 125 CO 0.06 0.09 -0.18 -0.75 -0.29 0.00 0.00 176.35 175.28 3gj1 s LYS 126 N 0.16 2.44 -0.07 1.98 2.36 -0.39 -2.02 119.74 124.20 3gj1 s LYS 126 Ca -0.03 -0.65 0.03 0.00 -2.55 0.00 0.00 55.97 52.76 3gj1 s LYS 126 Cb -0.09 -1.97 -0.02 0.00 -1.05 0.00 0.00 37.83 34.70 3gj1 s LYS 126 CO 0.01 0.03 -0.16 0.20 1.55 0.00 0.00 175.35 176.98 3gj1 s GLY 127 N 0.72 1.50 0.08 5.54 0.00 0.11 -1.12 107.32 114.15 3gj1 s GLY 127 Ca -0.12 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.64 3gj1 s GLY 127 CO 0.02 -0.63 -0.05 -0.26 0.00 0.00 0.00 173.10 172.18 3gj1 s ILE 128 N -0.43 0.50 -1.32 0.90 -4.36 -0.80 -0.84 121.20 114.86 3gj1 s ILE 128 Ca 0.05 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 3gj1 s ILE 128 Cb -0.12 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.97 3gj1 s ILE 128 CO 0.02 -0.93 0.00 0.47 0.24 0.00 0.00 174.94 174.74 3gj1 n ASP 129 N 0.02 -4.50 -4.78 4.36 8.00 -1.26 -1.91 116.55 116.49 3gj1 n ASP 129 Ca -0.13 0.31 -0.37 0.00 0.71 0.00 0.00 54.79 55.31 3gj1 n ASP 129 Cb 0.61 -3.10 -0.04 0.00 -0.02 0.00 0.00 41.12 38.57 3gj1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj1 s PHE 130 N -2.46 3.25 0.04 1.24 0.40 -1.26 -3.32 117.98 115.86 3gj1 s PHE 130 Ca 0.00 1.63 -0.30 0.00 -0.60 0.00 0.00 56.93 57.66 3gj1 s PHE 130 Cb 0.00 -3.20 -0.05 0.00 0.51 0.00 0.00 43.02 40.28 3gj1 s PHE 130 CO 0.00 -0.77 1.16 0.15 0.70 0.00 0.00 175.22 176.47 3gj1 s LYS 131 N -2.35 4.45 0.41 0.44 1.02 -1.26 -4.91 119.74 117.53 3gj1 s LYS 131 Ca 0.56 1.70 0.09 0.00 0.02 0.00 0.00 55.97 58.35 3gj1 s LYS 131 Cb -0.25 -3.39 0.89 0.00 -0.52 0.00 0.00 37.83 34.56 3gj1 s LYS 131 CO 0.31 -0.24 2.01 0.93 -0.92 0.00 0.00 175.35 177.44 3gj1 h GLU 132 N 6.87 0.54 -0.23 1.68 5.08 -1.95 -2.07 114.58 124.49 3gj1 h GLU 132 Ca -0.41 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3gj1 h GLU 132 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3gj1 h GLU 132 CO 0.81 0.36 0.00 -0.25 -1.00 0.00 0.00 179.01 178.92 3gj1 n ASP 133 N -4.47 2.99 -2.61 1.42 9.92 -1.26 -3.69 116.55 118.84 3gj1 n ASP 133 Ca 0.07 -2.41 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 3gj1 n ASP 133 Cb 0.20 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 3gj1 n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gj1 n GLY 134 N -0.15 -1.75 0.22 0.44 0.00 -0.78 -4.67 105.19 98.50 3gj1 n GLY 134 Ca 0.13 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.73 3gj1 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gj1 h ASN 135 N -0.38 0.00 0.00 1.61 2.35 -1.94 -1.32 115.58 115.90 3gj1 h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gj1 h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3gj1 h ASN 135 CO 0.00 0.01 -0.02 0.40 -1.65 0.00 0.00 177.43 176.18 3gj1 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -0.76 117.51 122.68 3gj1 h ILE 136 Ca -0.00 -0.06 -0.01 0.00 -0.12 0.00 0.00 64.86 64.66 3gj1 h ILE 136 Cb 1.01 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.80 3gj1 h ILE 136 CO 0.00 0.00 -0.07 -0.07 -0.68 0.00 0.00 178.15 177.34 3gj1 h LEU 137 N -0.06 0.00 -0.03 1.44 3.38 -1.74 -1.60 115.31 116.70 3gj1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj1 h LEU 137 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gj1 h LEU 137 CO 0.00 0.07 -0.05 0.61 0.09 0.00 0.00 178.44 179.16 3gj1 n GLY 138 N -0.41 -1.32 3.60 0.83 0.00 -0.50 -4.89 105.19 102.49 3gj1 n GLY 138 Ca -0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 3gj1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj1 n HIS 139 N -1.34 -2.03 0.26 1.61 8.25 -0.60 -4.91 115.22 116.45 3gj1 n HIS 139 Ca 0.11 0.79 0.12 0.00 -0.26 0.00 0.00 57.72 58.47 3gj1 n HIS 139 Cb 0.29 -4.26 0.25 0.00 1.12 0.00 0.00 29.99 27.39 3gj1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj1 n LYS 140 N -4.07 2.49 -2.77 -0.41 5.02 -0.31 -4.97 118.16 113.13 3gj1 n LYS 140 Ca -0.23 -2.27 -0.40 0.00 -2.02 0.00 0.00 58.31 53.39 3gj1 n LYS 140 Cb 0.65 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 3gj1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gj1 s LEU 141 N -1.39 4.61 0.50 -0.35 1.02 -1.25 -1.37 118.68 120.45 3gj1 s LEU 141 Ca 0.40 1.88 -0.22 0.00 0.02 0.00 0.00 54.13 56.21 3gj1 s LEU 141 Cb 0.23 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.81 3gj1 s LEU 141 CO 0.31 0.12 1.21 -1.61 0.02 0.00 0.00 176.35 176.40 3gj1 s GLU 142 N -0.93 3.53 -1.40 1.70 2.02 -0.44 -4.81 118.70 118.37 3gj1 s GLU 142 Ca 0.42 1.88 -0.15 0.00 0.02 0.00 0.00 54.97 57.13 3gj1 s GLU 142 Cb -0.25 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.72 3gj1 s GLU 142 CO 0.31 -0.77 2.06 0.98 0.02 0.00 0.00 175.26 177.85 3gj1 n TYR 143 N -0.75 3.91 -3.84 1.61 9.36 -1.26 -4.82 117.16 121.37 3gj1 n TYR 143 Ca 0.09 -2.93 -0.10 0.00 3.32 0.00 0.00 57.90 58.28 3gj1 n TYR 143 Cb 0.48 -2.57 0.02 0.00 -0.63 0.00 0.00 39.34 36.63 3gj1 n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3gj1 s ASN 144 N 3.48 0.13 -0.14 2.98 2.20 -1.26 -4.87 114.94 117.46 3gj1 s ASN 144 Ca 0.49 -1.21 -0.23 0.00 -0.94 0.00 0.00 52.86 50.98 3gj1 s ASN 144 Cb 0.10 0.84 0.06 0.00 -2.00 0.00 0.00 41.25 40.25 3gj1 s ASN 144 CO -0.03 -1.66 0.57 -0.47 -2.94 0.00 0.00 177.10 172.57 3gj1 s TYR 145 N -2.34 -0.58 0.46 1.54 5.04 -1.26 -4.86 117.35 115.35 3gj1 s TYR 145 Ca 0.17 1.24 0.07 0.00 -2.44 0.00 0.00 57.07 56.11 3gj1 s TYR 145 Cb -0.05 0.26 -0.01 0.00 0.35 0.00 0.00 41.96 42.52 3gj1 s TYR 145 CO 0.13 -0.41 0.34 -0.80 -1.34 0.00 0.00 175.55 173.47 3gj1 s ASN 146 N -0.38 4.74 0.34 4.32 0.01 -1.26 -4.78 114.94 117.92 3gj1 s ASN 146 Ca -0.05 -1.01 -0.18 0.00 -0.71 0.00 0.00 52.86 50.91 3gj1 s ASN 146 Cb -0.03 -0.17 -0.09 0.00 0.41 0.00 0.00 41.25 41.36 3gj1 s ASN 146 CO 0.04 -0.80 0.80 -0.94 -1.51 0.00 0.00 177.10 174.69 3gj1 s SER 147 N -4.14 6.88 0.01 -1.22 1.04 -1.26 -4.44 113.70 110.57 3gj1 s SER 147 Ca 0.41 1.43 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 3gj1 s SER 147 Cb -0.01 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.68 3gj1 s SER 147 CO 0.24 -0.21 0.16 -1.00 0.98 0.00 0.00 173.24 173.42 3gj1 s HIS 148 N -1.96 0.03 -0.20 5.02 3.76 -0.42 -4.98 115.29 116.53 3gj1 s HIS 148 Ca 0.55 -0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 3gj1 s HIS 148 Cb -0.11 -0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.50 3gj1 s HIS 148 CO 0.17 -0.33 0.18 -0.80 -0.85 0.00 0.00 174.74 173.12 3gj1 s ASN 149 N -1.54 6.26 -0.33 1.40 0.01 -1.26 -0.76 114.94 118.71 3gj1 s ASN 149 Ca -0.12 0.29 -0.04 0.00 -0.71 0.00 0.00 52.86 52.28 3gj1 s ASN 149 Cb -0.06 -2.12 0.06 0.00 0.41 0.00 0.00 41.25 39.54 3gj1 s ASN 149 CO 0.01 0.13 0.07 -0.69 -1.51 0.00 0.00 177.10 175.11 3gj1 s VAL 150 N 0.53 3.33 -0.16 1.60 1.01 0.27 -4.93 120.40 122.06 3gj1 s VAL 150 Ca 0.10 -1.41 -0.28 0.00 0.00 0.00 0.00 61.98 60.40 3gj1 s VAL 150 Cb -0.12 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3gj1 s VAL 150 CO 0.01 -0.23 0.97 -0.31 0.00 0.00 0.00 175.10 175.54 3gj1 s TYR 151 N 1.29 3.43 -0.19 5.22 2.02 -1.26 -0.53 117.35 127.32 3gj1 s TYR 151 Ca -0.02 1.46 -0.10 0.00 -0.37 0.00 0.00 57.07 58.04 3gj1 s TYR 151 Cb -0.20 -3.17 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 3gj1 s TYR 151 CO -0.00 -0.31 0.14 0.42 -1.57 0.00 0.00 175.55 174.23 3gj1 s ILE 152 N 2.44 5.41 0.09 2.71 -1.09 0.60 -4.30 121.20 127.06 3gj1 s ILE 152 Ca 0.44 0.22 0.08 0.00 -2.23 0.00 0.00 60.65 59.16 3gj1 s ILE 152 Cb -0.17 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 3gj1 s ILE 152 CO 0.13 0.44 -0.21 0.42 -1.23 0.00 0.00 174.94 174.49 3gj1 s THR 153 N 0.31 1.71 0.47 2.92 -4.23 -0.63 -2.33 115.64 113.86 3gj1 s THR 153 Ca 0.09 -1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 58.88 3gj1 s THR 153 Cb -0.11 -1.54 -0.07 0.00 1.34 0.00 0.00 72.50 72.12 3gj1 s THR 153 CO -0.01 -0.01 1.31 0.00 -0.54 0.00 0.00 174.62 175.36 3gj1 s ALA 154 N -1.10 3.03 -0.65 3.99 0.00 -1.25 -0.59 121.76 125.19 3gj1 s ALA 154 Ca 0.07 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.29 3gj1 s ALA 154 Cb -0.10 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.68 3gj1 s ALA 154 CO 0.04 -1.03 0.44 0.34 0.00 0.00 0.00 175.76 175.55 3gj1 s ASP 155 N -0.93 4.76 0.38 0.00 -1.08 0.31 -4.65 116.67 115.46 3gj1 s ASP 155 Ca 0.64 -3.54 0.06 0.00 -0.52 0.00 0.00 52.55 49.19 3gj1 s ASP 155 Cb -0.37 -1.67 0.76 0.00 -1.46 0.00 0.00 42.92 40.18 3gj1 s ASP 155 CO 0.46 -0.15 2.01 0.11 0.52 0.00 0.00 175.17 178.12 3gj1 h LYS 156 N 5.86 0.59 -0.75 4.34 1.57 -1.95 -1.58 116.57 124.65 3gj1 h LYS 156 Ca 0.07 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3gj1 h LYS 156 Cb 0.81 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.95 3gj1 h LYS 156 CO 0.72 0.44 0.49 1.96 -0.57 0.00 0.00 179.45 182.49 3gj1 h GLN 157 N 0.60 0.83 -0.54 3.15 4.20 -1.93 -2.11 115.11 119.31 3gj1 h GLN 157 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gj1 h GLN 157 Cb 0.02 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3gj1 h GLN 157 CO -0.03 0.55 0.00 1.63 -0.67 0.00 0.00 178.83 180.32 3gj1 n LYS 158 N -4.47 3.24 -3.90 1.46 4.01 -0.75 -4.95 118.16 112.79 3gj1 n LYS 158 Ca 0.10 -2.63 -0.31 0.00 -0.51 0.00 0.00 58.31 54.96 3gj1 n LYS 158 Cb 0.17 -1.67 0.01 0.00 -0.51 0.00 0.00 35.03 33.02 3gj1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3gj1 n ASN 159 N 0.85 -4.32 0.00 4.39 5.15 -0.80 -4.67 115.26 115.86 3gj1 n ASN 159 Ca 0.21 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 3gj1 n ASN 159 Cb 0.72 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.49 3gj1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj1 n GLY 160 N -1.53 4.61 3.28 8.20 0.00 -0.67 -4.34 105.19 114.73 3gj1 n GLY 160 Ca 0.04 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 3gj1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj1 s ILE 161 N 0.28 0.88 0.20 -0.61 -5.25 -0.79 0.11 121.20 116.02 3gj1 s ILE 161 Ca 0.00 -2.01 0.01 0.00 -0.99 0.00 0.00 60.65 57.66 3gj1 s ILE 161 Cb 0.00 -2.17 -0.05 0.00 2.95 0.00 0.00 42.46 43.20 3gj1 s ILE 161 CO 0.00 -0.45 0.06 -1.59 -1.79 0.00 0.00 174.94 171.16 3gj1 s LYS 162 N -3.87 1.19 -0.20 0.37 0.00 0.24 -1.35 119.74 116.12 3gj1 s LYS 162 Ca 0.25 -1.60 -0.27 0.00 0.00 0.00 0.00 55.97 54.34 3gj1 s LYS 162 Cb 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 37.83 37.86 3gj1 s LYS 162 CO 0.05 -0.24 0.72 0.00 0.00 0.00 0.00 175.35 175.88 3gj1 s ALA 163 N -3.83 -1.79 0.04 0.59 0.00 -0.50 -1.60 121.76 114.67 3gj1 s ALA 163 Ca 0.30 1.80 0.04 0.00 0.00 0.00 0.00 51.96 54.11 3gj1 s ALA 163 Cb 0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3gj1 s ALA 163 CO 0.08 -0.35 -0.13 0.54 0.00 0.00 0.00 175.76 175.90 3gj1 s ASN 164 N -0.14 1.56 0.03 0.00 4.22 -1.26 -0.41 114.94 118.94 3gj1 s ASN 164 Ca -0.03 -0.44 -0.27 0.00 -2.14 0.00 0.00 52.86 49.97 3gj1 s ASN 164 Cb -0.03 -0.10 0.09 0.00 1.28 0.00 0.00 41.25 42.49 3gj1 s ASN 164 CO 0.04 0.02 0.80 0.72 -2.04 0.00 0.00 177.10 176.63 3gj1 s PHE 165 N -0.84 -0.42 -0.21 1.54 -0.12 -0.39 -4.68 117.98 112.85 3gj1 s PHE 165 Ca 0.01 0.33 -0.02 0.00 -0.05 0.00 0.00 56.93 57.19 3gj1 s PHE 165 Cb -0.08 0.53 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 3gj1 s PHE 165 CO 0.01 -0.63 -0.09 0.15 -0.05 0.00 0.00 175.22 174.61 3gj1 s LYS 166 N -3.08 3.20 0.11 1.99 1.02 -1.26 -0.12 119.74 121.60 3gj1 s LYS 166 Ca 0.02 -0.73 -0.27 0.00 0.02 0.00 0.00 55.97 55.02 3gj1 s LYS 166 Cb -0.01 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 3gj1 s LYS 166 CO -0.09 -0.23 0.83 0.42 -0.92 0.00 0.00 175.35 175.37 3gj1 s ILE 167 N 1.41 4.52 -0.43 2.17 -1.09 -0.21 -4.85 121.20 122.71 3gj1 s ILE 167 Ca 0.05 1.80 -0.18 0.00 -2.23 0.00 0.00 60.65 60.08 3gj1 s ILE 167 Cb -0.14 -4.19 0.02 0.00 -1.58 0.00 0.00 42.46 36.57 3gj1 s ILE 167 CO -0.06 0.41 0.50 -0.13 -1.23 0.00 0.00 174.94 174.42 3gj1 s ARG 168 N -0.43 3.14 -0.37 2.79 0.52 -1.26 -0.86 118.95 122.47 3gj1 s ARG 168 Ca 0.40 -0.68 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 3gj1 s ARG 168 Cb -0.22 -3.97 -0.00 0.00 0.52 0.00 0.00 34.95 31.27 3gj1 s ARG 168 CO 0.26 -0.91 0.31 -1.01 0.02 0.00 0.00 175.30 173.97 3gj1 s HIS 169 N 2.32 3.22 0.29 -0.53 3.76 0.44 -4.55 115.29 120.24 3gj1 s HIS 169 Ca 0.15 -0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.47 3gj1 s HIS 169 Cb -0.17 -2.61 -0.10 0.00 1.11 0.00 0.00 32.58 30.82 3gj1 s HIS 169 CO 0.15 -0.49 1.22 -0.80 -0.85 0.00 0.00 174.74 173.97 3gj1 s ASN 170 N 1.73 6.99 0.19 1.40 0.01 -1.26 -0.66 114.94 123.34 3gj1 s ASN 170 Ca 0.08 2.48 0.07 0.00 -0.71 0.00 0.00 52.86 54.78 3gj1 s ASN 170 Cb -0.18 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.81 3gj1 s ASN 170 CO 0.11 -0.37 0.04 -0.63 -1.51 0.00 0.00 177.10 174.74 3gj1 s ILE 171 N -0.97 3.88 -0.17 0.60 -1.09 -0.25 -1.33 121.20 121.88 3gj1 s ILE 171 Ca 0.48 -1.43 0.28 0.00 -2.23 0.00 0.00 60.65 57.75 3gj1 s ILE 171 Cb -0.36 -2.99 0.31 0.00 -1.58 0.00 0.00 42.46 37.84 3gj1 s ILE 171 CO 0.46 -0.17 1.85 -0.33 -1.23 0.00 0.00 174.94 175.52 3gj1 h GLU 172 N 2.43 0.00 -0.49 2.79 5.08 -1.52 0.12 114.58 122.99 3gj1 h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gj1 h GLU 172 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3gj1 h GLU 172 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 3gj1 n ASP 173 N -2.59 2.71 0.00 1.42 5.75 -1.26 -4.91 116.55 117.67 3gj1 n ASP 173 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 3gj1 n ASP 173 Cb 0.22 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3gj1 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gj1 n GLY 174 N 1.31 0.89 3.83 6.12 0.00 0.03 -5.07 105.19 112.30 3gj1 n GLY 174 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3gj1 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gj1 s SER 175 N -2.80 2.40 -0.02 1.61 1.04 -1.25 -4.80 113.70 109.87 3gj1 s SER 175 Ca 0.00 0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.79 3gj1 s SER 175 Cb 0.00 -0.44 0.02 0.00 0.10 0.00 0.00 66.02 65.70 3gj1 s SER 175 CO 0.00 -3.19 -0.01 -0.69 0.98 0.00 0.00 173.24 170.33 3gj1 s VAL 176 N -3.64 0.21 -0.12 5.02 1.01 -1.26 -1.09 120.40 120.53 3gj1 s VAL 176 Ca 0.73 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3gj1 s VAL 176 Cb -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3gj1 s VAL 176 CO 0.54 0.12 -0.18 -1.58 0.00 0.00 0.00 175.10 174.00 3gj1 s GLN 177 N 0.58 3.23 0.01 2.72 0.74 0.16 -4.95 119.66 122.16 3gj1 s GLN 177 Ca -0.06 -0.77 -0.17 0.00 0.05 0.00 0.00 55.36 54.41 3gj1 s GLN 177 Cb -0.09 -2.50 -0.06 0.00 1.10 0.00 0.00 33.01 31.46 3gj1 s GLN 177 CO -0.01 0.17 0.49 -0.51 -0.55 0.00 0.00 175.29 174.88 3gj1 s LEU 178 N 0.41 4.46 -0.27 3.68 1.43 -1.26 -0.42 118.68 126.71 3gj1 s LEU 178 Ca -0.13 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.05 3gj1 s LEU 178 Cb -0.17 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.39 3gj1 s LEU 178 CO 0.06 0.24 -0.09 0.00 0.23 0.00 0.00 176.35 176.79 3gj1 s ALA 179 N -0.77 2.61 -0.34 4.21 0.00 -0.04 -1.56 121.76 125.87 3gj1 s ALA 179 Ca 0.26 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.21 3gj1 s ALA 179 Cb -0.17 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.30 3gj1 s ALA 179 CO 0.15 -1.23 0.65 0.34 0.00 0.00 0.00 175.76 175.67 3gj1 s ASP 180 N 1.11 6.47 -0.22 0.00 2.15 0.33 -1.04 116.67 125.46 3gj1 s ASP 180 Ca -0.08 0.29 -0.11 0.00 0.43 0.00 0.00 52.55 53.09 3gj1 s ASP 180 Cb -0.20 -2.34 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 3gj1 s ASP 180 CO -0.05 -0.57 0.18 -1.00 -0.17 0.00 0.00 175.17 173.56 3gj1 s HIS 181 N 2.72 3.35 -0.21 -5.34 3.76 0.83 -0.45 115.29 119.95 3gj1 s HIS 181 Ca 0.26 0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 55.43 3gj1 s HIS 181 Cb -0.14 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.27 3gj1 s HIS 181 CO 0.14 0.12 -0.05 0.71 -0.85 0.00 0.00 174.74 174.81 3gj1 s TYR 182 N 0.88 2.95 -0.03 1.40 1.51 -0.15 -1.27 117.35 122.64 3gj1 s TYR 182 Ca 0.09 -0.86 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 3gj1 s TYR 182 Cb -0.13 -2.08 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 3gj1 s TYR 182 CO 0.03 -0.48 -0.20 -1.14 -1.11 0.00 0.00 175.55 172.65 3gj1 s GLN 183 N 1.31 1.83 -0.01 -0.62 0.74 0.45 -1.24 119.66 122.12 3gj1 s GLN 183 Ca 0.04 -0.70 0.04 0.00 0.05 0.00 0.00 55.36 54.79 3gj1 s GLN 183 Cb -0.14 -1.65 -0.01 0.00 1.10 0.00 0.00 33.01 32.30 3gj1 s GLN 183 CO -0.02 0.35 -0.14 -0.65 -0.55 0.00 0.00 175.29 174.27 3gj1 s GLN 184 N -0.21 1.17 -0.02 1.67 -0.21 0.18 -1.42 119.66 120.83 3gj1 s GLN 184 Ca 0.01 -0.51 0.04 0.00 0.02 0.00 0.00 55.36 54.92 3gj1 s GLN 184 Cb -0.10 -1.13 -0.01 0.00 1.00 0.00 0.00 33.01 32.77 3gj1 s GLN 184 CO 0.01 0.31 -0.15 -0.80 -2.12 0.00 0.00 175.29 172.54 3gj1 s ASN 185 N -0.32 1.79 0.00 5.90 -0.87 -0.46 -0.99 114.94 120.00 3gj1 s ASN 185 Ca 0.05 -0.28 -0.01 0.00 -1.57 0.00 0.00 52.86 51.05 3gj1 s ASN 185 Cb -0.06 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.25 40.83 3gj1 s ASN 185 CO -0.00 0.16 0.02 0.28 -2.57 0.00 0.00 177.10 174.98 3gj1 s THR 186 N -0.15 0.06 0.52 1.60 -1.32 -0.50 -1.88 115.64 113.97 3gj1 s THR 186 Ca 0.02 -0.51 -0.23 0.00 -1.21 0.00 0.00 61.69 59.76 3gj1 s THR 186 Cb -0.08 -0.19 -0.06 0.00 -1.51 0.00 0.00 72.50 70.66 3gj1 s THR 186 CO 0.00 -0.28 1.38 -2.84 -2.21 0.00 0.00 174.62 170.68 3gj1 s PRO 187 N -0.84 3.31 -0.00 7.08 0.02 -1.26 -0.73 135.00 142.57 3gj1 s PRO 187 Ca -0.09 2.30 -0.18 0.00 0.02 0.00 0.00 61.00 63.05 3gj1 s PRO 187 Cb -0.06 -2.38 -0.34 0.00 0.02 0.00 0.00 34.50 31.74 3gj1 s PRO 187 CO -0.00 -1.08 0.94 0.82 -0.33 0.00 0.00 177.00 177.35 3gj1 h ILE 188 N 1.71 1.33 -4.16 2.83 2.04 -1.44 -3.44 117.51 116.38 3gj1 h ILE 188 Ca -0.51 -2.64 -0.45 0.00 1.00 0.00 0.00 64.86 62.26 3gj1 h ILE 188 Cb 1.29 3.07 0.15 0.00 -0.74 0.00 0.00 36.82 40.59 3gj1 h ILE 188 CO 0.58 0.78 0.42 -0.83 0.00 0.00 0.00 178.15 179.11 3gj1 s GLY 189 N -4.58 1.74 0.04 5.37 0.00 -1.26 -4.99 107.32 103.63 3gj1 s GLY 189 Ca -0.11 -1.08 0.22 0.00 0.00 0.00 0.00 44.72 43.75 3gj1 s GLY 189 CO 0.91 -0.37 0.79 1.22 0.00 0.00 0.00 173.10 175.65 3gj1 n ASP 190 N -3.67 0.45 -4.49 1.64 8.00 -1.26 -5.00 116.55 112.22 3gj1 n ASP 190 Ca 0.14 -0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3gj1 n ASP 190 Cb 0.60 1.25 0.19 0.00 -0.02 0.00 0.00 41.12 43.15 3gj1 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gj1 n GLY 191 N 1.31 -1.60 3.78 0.44 0.00 -1.26 -4.97 105.19 102.89 3gj1 n GLY 191 Ca -0.01 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3gj1 n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj1 s PRO 192 N -4.18 4.25 0.31 1.61 0.02 -1.26 -5.06 135.00 130.69 3gj1 s PRO 192 Ca 0.64 1.49 0.05 0.00 0.02 0.00 0.00 61.00 63.19 3gj1 s PRO 192 Cb -0.22 -2.60 -0.06 0.00 0.02 0.00 0.00 34.50 31.64 3gj1 s PRO 192 CO 0.64 -0.06 0.03 0.14 -0.33 0.00 0.00 177.00 177.41 3gj1 s VAL 193 N -1.64 1.32 -0.13 3.83 -7.23 -1.26 -4.83 120.40 110.45 3gj1 s VAL 193 Ca 0.56 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 3gj1 s VAL 193 Cb -0.22 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3gj1 s VAL 193 CO 0.27 -0.09 0.58 -0.76 -0.31 0.00 0.00 175.10 174.80 3gj1 s LEU 194 N -3.48 4.25 -0.23 1.32 1.43 -1.26 -5.06 118.68 115.64 3gj1 s LEU 194 Ca 0.34 0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 54.27 3gj1 s LEU 194 Cb 0.08 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3gj1 s LEU 194 CO 0.14 -0.12 0.12 -0.76 0.23 0.00 0.00 176.35 175.97 3gj1 s LEU 195 N 1.07 3.89 0.39 1.79 1.43 -1.26 -4.02 118.68 121.97 3gj1 s LEU 195 Ca 0.30 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 3gj1 s LEU 195 Cb -0.16 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 3gj1 s LEU 195 CO 0.13 0.05 0.74 -2.16 0.23 0.00 0.00 176.35 175.34 3gj1 s PRO 196 N 1.12 3.73 0.71 1.29 0.04 -1.26 -4.88 135.00 135.75 3gj1 s PRO 196 Ca 0.06 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.34 3gj1 s PRO 196 Cb -0.14 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.00 3gj1 s PRO 196 CO 0.04 -0.01 1.12 -0.51 0.04 0.00 0.00 177.00 177.67 3gj1 s ASP 197 N -3.25 4.74 0.03 6.66 1.01 -1.26 -3.89 116.67 120.70 3gj1 s ASP 197 Ca 0.50 1.99 -0.37 0.00 0.71 0.00 0.00 52.55 55.38 3gj1 s ASP 197 Cb -0.10 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.12 3gj1 s ASP 197 CO 0.32 -1.88 1.42 0.59 0.21 0.00 0.00 175.17 175.83 3gj1 n ASN 198 N -2.86 1.85 -1.17 0.27 4.13 -1.26 -4.86 115.26 111.36 3gj1 n ASN 198 Ca 0.10 1.11 -0.01 0.00 1.68 0.00 0.00 54.58 57.46 3gj1 n ASN 198 Cb 0.52 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 3gj1 n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gj1 n HIS 199 N 3.07 -1.00 -3.96 3.10 1.44 -0.98 -4.70 115.22 112.18 3gj1 n HIS 199 Ca 0.20 -0.19 -0.08 0.00 -2.01 0.00 0.00 57.72 55.64 3gj1 n HIS 199 Cb 0.19 0.08 -0.09 0.00 0.12 0.00 0.00 29.99 30.29 3gj1 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gj1 s TYR 200 N -7.59 0.32 -0.14 -1.40 -0.85 -0.43 -0.29 117.35 106.97 3gj1 s TYR 200 Ca 0.02 -0.80 -0.02 0.00 -0.52 0.00 0.00 57.07 55.75 3gj1 s TYR 200 Cb -0.00 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.10 3gj1 s TYR 200 CO 0.01 -0.46 -0.08 -0.51 -1.52 0.00 0.00 175.55 173.00 3gj1 s LEU 201 N -2.85 3.04 -0.38 -3.49 1.43 0.30 -0.98 118.68 115.75 3gj1 s LEU 201 Ca 0.05 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.77 3gj1 s LEU 201 Cb 0.06 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3gj1 s LEU 201 CO -0.10 0.18 0.52 -0.55 0.23 0.00 0.00 176.35 176.62 3gj1 s SER 202 N 0.29 6.29 -0.07 2.29 0.15 0.49 -0.56 113.70 122.58 3gj1 s SER 202 Ca -0.06 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 3gj1 s SER 202 Cb -0.15 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 3gj1 s SER 202 CO 0.04 -0.56 0.05 -1.00 1.20 0.00 0.00 173.24 172.97 3gj1 s HIS 203 N 2.42 3.27 0.00 3.44 3.76 0.06 -1.79 115.29 126.45 3gj1 s HIS 203 Ca 0.18 0.25 -0.01 0.00 -0.15 0.00 0.00 55.06 55.33 3gj1 s HIS 203 Cb -0.16 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.73 3gj1 s HIS 203 CO 0.14 0.54 0.01 -0.65 -0.85 0.00 0.00 174.74 173.94 3gj1 s GLN 204 N -1.17 0.16 -0.07 1.40 -0.21 -0.54 -1.31 119.66 117.92 3gj1 s GLN 204 Ca 0.16 -0.22 -0.08 0.00 0.02 0.00 0.00 55.36 55.25 3gj1 s GLN 204 Cb -0.12 0.06 0.02 0.00 1.00 0.00 0.00 33.01 33.97 3gj1 s GLN 204 CO 0.06 -0.03 0.21 -1.12 -2.12 0.00 0.00 175.29 172.29 3gj1 s SER 205 N -0.59 -0.20 -0.04 5.90 0.01 -1.26 -1.56 113.70 115.96 3gj1 s SER 205 Ca -0.07 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.58 3gj1 s SER 205 Cb -0.04 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.63 3gj1 s SER 205 CO -0.00 -0.10 -0.04 0.00 0.41 0.00 0.00 173.24 173.50 3gj1 s ALA 206 N -0.02 0.64 -0.10 1.44 0.00 0.13 -4.61 121.76 119.24 3gj1 s ALA 206 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 3gj1 s ALA 206 Cb -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3gj1 s ALA 206 CO 0.00 -0.00 0.09 -0.51 0.00 0.00 0.00 175.76 175.34 3gj1 s LEU 207 N 0.89 4.07 0.00 0.00 1.43 -1.26 -1.06 118.68 122.74 3gj1 s LEU 207 Ca -0.12 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3gj1 s LEU 207 Cb -0.14 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 3gj1 s LEU 207 CO 0.00 0.39 0.27 -0.24 0.23 0.00 0.00 176.35 177.00 3gj1 n SER 208 N 1.97 -0.73 -4.31 2.29 2.88 0.19 -4.94 113.62 110.97 3gj1 n SER 208 Ca -0.19 -2.22 -0.28 0.00 -1.33 0.00 0.00 58.87 54.85 3gj1 n SER 208 Cb 0.54 1.42 -0.14 0.00 -0.75 0.00 0.00 64.21 65.28 3gj1 n SER 208 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gj1 s LYS 209 N -2.58 1.62 -0.40 -1.46 -0.14 -1.26 -1.35 119.74 114.16 3gj1 s LYS 209 Ca 0.20 -1.06 -0.27 0.00 -1.36 0.00 0.00 55.97 53.48 3gj1 s LYS 209 Cb -0.00 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.38 3gj1 s LYS 209 CO 0.14 0.46 1.01 0.34 -0.76 0.00 0.00 175.35 176.54 3gj1 s ASP 210 N -1.25 6.68 0.35 2.83 -1.08 -1.26 -4.92 116.67 118.01 3gj1 s ASP 210 Ca 0.10 0.56 0.25 0.00 -0.52 0.00 0.00 52.55 52.94 3gj1 s ASP 210 Cb -0.10 -2.50 1.25 0.00 -1.46 0.00 0.00 42.92 40.12 3gj1 s ASP 210 CO 0.02 -1.00 1.76 1.55 0.52 0.00 0.00 175.17 178.03 3gj1 h PRO 211 N 8.70 0.00 -0.20 4.34 0.13 -2.04 -1.08 132.00 141.86 3gj1 h PRO 211 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3gj1 h PRO 211 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gj1 h PRO 211 CO 1.04 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.90 3gj1 n ASN 212 N -2.38 2.78 -4.44 1.44 5.03 -1.26 -4.87 115.26 111.56 3gj1 n ASN 212 Ca -0.00 -1.89 -0.38 0.00 0.87 0.00 0.00 54.58 53.17 3gj1 n ASN 212 Cb 0.11 -0.12 -0.12 0.00 -1.02 0.00 0.00 39.78 38.63 3gj1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gj1 s GLU 213 N -1.76 3.34 0.24 3.52 2.56 -0.41 -4.97 118.70 121.22 3gj1 s GLU 213 Ca 0.34 -0.72 0.24 0.00 0.00 0.00 0.00 54.97 54.83 3gj1 s GLU 213 Cb 0.21 -3.55 0.30 0.00 2.00 0.00 0.00 34.13 33.09 3gj1 s GLU 213 CO 0.30 -0.41 1.38 0.87 -0.56 0.00 0.00 175.26 176.84 3gj1 h LYS 214 N 8.34 0.00 -7.45 4.30 1.57 -1.89 -3.47 116.57 117.97 3gj1 h LYS 214 Ca -0.32 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.97 3gj1 h LYS 214 Cb 1.15 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.56 3gj1 h LYS 214 CO 0.61 0.00 0.37 1.03 -0.57 0.00 0.00 179.45 180.89 3gj1 s ARG 215 N -3.23 2.28 -0.01 3.15 0.52 -1.26 -4.98 118.95 115.41 3gj1 s ARG 215 Ca 0.05 0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.47 3gj1 s ARG 215 Cb 0.10 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 3gj1 s ARG 215 CO 0.71 -1.46 1.07 0.34 0.02 0.00 0.00 175.30 175.98 3gj1 s ASP 216 N -4.12 7.23 0.29 0.23 2.15 -1.26 -4.97 116.67 116.21 3gj1 s ASP 216 Ca 0.60 1.74 -0.20 0.00 0.43 0.00 0.00 52.55 55.12 3gj1 s ASP 216 Cb -0.13 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3gj1 s ASP 216 CO 0.53 -0.39 0.72 -1.38 -0.17 0.00 0.00 175.17 174.47 3gj1 s HIS 217 N 1.40 -0.14 -0.04 -5.34 -3.43 -1.26 -1.58 115.29 104.89 3gj1 s HIS 217 Ca 0.53 -0.33 -0.01 0.00 -0.80 0.00 0.00 55.06 54.45 3gj1 s HIS 217 Cb -0.23 0.70 0.03 0.00 -1.43 0.00 0.00 32.58 31.65 3gj1 s HIS 217 CO 0.25 -1.26 0.08 1.41 -2.00 0.00 0.00 174.74 173.23 3gj1 s MET 218 N -3.79 0.02 -0.17 -0.38 1.75 -0.35 -4.95 119.30 111.44 3gj1 s MET 218 Ca 0.12 0.27 -0.09 0.00 -1.25 0.00 0.00 55.69 54.74 3gj1 s MET 218 Cb -0.06 -0.21 -0.05 0.00 2.84 0.00 0.00 34.83 37.36 3gj1 s MET 218 CO 0.07 -0.16 0.13 0.08 -0.65 0.00 0.00 175.02 174.49 3gj1 s VAL 219 N 1.08 5.43 -0.07 10.11 1.01 -0.46 -0.53 120.40 136.98 3gj1 s VAL 219 Ca -0.09 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.10 3gj1 s VAL 219 Cb -0.12 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3gj1 s VAL 219 CO -0.04 0.50 -0.10 -0.22 0.00 0.00 0.00 175.10 175.25 3gj1 s LEU 220 N -0.13 1.48 -0.02 3.92 2.96 0.22 -0.64 118.68 126.46 3gj1 s LEU 220 Ca 0.10 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3gj1 s LEU 220 Cb -0.11 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 3gj1 s LEU 220 CO 0.00 -0.02 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.00 3gj1 s LEU 221 N 0.94 2.05 0.04 -0.68 1.02 -0.23 -1.53 118.68 120.29 3gj1 s LEU 221 Ca -0.10 -0.46 -0.00 0.00 0.02 0.00 0.00 54.13 53.59 3gj1 s LEU 221 Cb -0.15 -1.30 -0.03 0.00 0.02 0.00 0.00 46.19 44.73 3gj1 s LEU 221 CO 0.01 0.30 -0.03 -1.61 0.02 0.00 0.00 176.35 175.03 3gj1 s GLU 222 N -0.52 0.49 -0.06 1.70 2.02 -0.65 -0.70 118.70 120.99 3gj1 s GLU 222 Ca 0.08 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3gj1 s GLU 222 Cb -0.10 0.13 0.02 0.00 0.10 0.00 0.00 34.13 34.28 3gj1 s GLU 222 CO -0.00 -0.08 -0.08 -0.06 0.02 0.00 0.00 175.26 175.06 3gj1 s PHE 223 N -2.78 1.09 -0.05 1.61 0.08 -0.60 -1.18 117.98 116.15 3gj1 s PHE 223 Ca -0.03 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3gj1 s PHE 223 Cb -0.00 -0.86 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 3gj1 s PHE 223 CO -0.06 -0.24 -0.04 0.08 -0.10 0.00 0.00 175.22 174.87 3gj1 s VAL 224 N 0.82 0.51 0.02 -0.44 1.01 0.81 -1.47 120.40 121.66 3gj1 s VAL 224 Ca -0.12 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3gj1 s VAL 224 Cb -0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 3gj1 s VAL 224 CO 0.02 0.23 -0.05 0.42 0.00 0.00 0.00 175.10 175.71 3gj1 s THR 225 N 1.12 0.39 0.17 3.92 -4.23 -0.74 -1.56 115.64 114.70 3gj1 s THR 225 Ca -0.08 -0.57 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 3gj1 s THR 225 Cb -0.14 -0.40 -0.08 0.00 1.34 0.00 0.00 72.50 73.23 3gj1 s THR 225 CO -0.01 -0.13 0.65 0.00 -0.54 0.00 0.00 174.62 174.58 3gj1 s ALA 226 N -0.69 3.50 0.33 3.99 0.00 -0.20 -0.38 121.76 128.31 3gj1 s ALA 226 Ca -0.04 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 3gj1 s ALA 226 Cb -0.05 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.37 3gj1 s ALA 226 CO -0.00 0.38 0.53 0.00 0.00 0.00 0.00 175.76 176.66 3gj1 s ALA 227 N -1.40 0.33 0.00 0.00 0.00 -0.15 -4.50 121.76 116.03 3gj1 s ALA 227 Ca 0.38 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3gj1 s ALA 227 Cb -0.17 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.01 3gj1 s ALA 227 CO 0.20 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3gj1 n GLY 228 N -0.52 0.93 3.25 0.00 0.00 -1.26 -1.31 105.19 106.28 3gj1 n GLY 228 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3gj1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj1 s ILE 229 N -2.00 3.15 -0.91 -0.61 1.01 -1.26 -4.74 121.20 115.84 3gj1 s ILE 229 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3gj1 s ILE 229 Cb 0.00 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3gj1 s ILE 229 CO 0.00 0.26 0.23 0.35 0.00 0.00 0.00 174.94 175.78