#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj2 n GLY 4 N 0.00 -0.53 0.40 0.00 0.00 -1.26 -4.37 105.19 99.43 3gj2 n GLY 4 Ca 0.00 -0.32 0.30 0.00 0.00 0.00 0.00 46.02 46.00 3gj2 n GLY 4 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gj2 h GLU 5 N -0.97 0.19 -0.32 1.61 4.39 -1.93 -1.50 114.58 116.03 3gj2 h GLU 5 Ca -0.02 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.77 3gj2 h GLU 5 Cb 0.99 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3gj2 h GLU 5 CO -0.01 0.13 0.37 1.05 -1.16 0.00 0.00 179.01 179.39 3gj2 h GLU 6 N 0.20 0.00 -0.00 2.33 4.11 -1.95 -1.21 114.58 118.06 3gj2 h GLU 6 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.19 3gj2 h GLU 6 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 3gj2 h GLU 6 CO -0.50 0.00 -0.12 1.28 0.07 0.00 0.00 179.01 179.74 3gj2 n LEU 7 N -3.69 0.13 -0.42 3.06 4.77 -0.57 -3.86 117.00 116.43 3gj2 n LEU 7 Ca 0.05 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.48 3gj2 n LEU 7 Cb 0.52 -0.42 0.19 0.00 -2.33 0.00 0.00 43.42 41.38 3gj2 n LEU 7 CO 0.27 0.03 0.62 0.49 -1.33 0.00 0.00 177.39 177.46 3gj2 n PHE 8 N -1.48 0.37 0.08 -1.77 3.72 -0.46 -4.68 117.46 113.24 3gj2 n PHE 8 Ca 0.07 -1.00 -0.03 0.00 -0.05 0.00 0.00 57.45 56.44 3gj2 n PHE 8 Cb 0.33 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 3gj2 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj2 h THR 9 N 0.71 1.26 -2.68 4.37 1.35 -1.67 -3.37 112.91 112.87 3gj2 h THR 9 Ca 0.01 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 3gj2 h THR 9 Cb 1.18 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 3gj2 h THR 9 CO 0.09 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 3gj2 n GLY 10 N 1.33 3.32 3.72 5.82 0.00 -1.26 -4.77 105.19 113.35 3gj2 n GLY 10 Ca -0.02 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 3gj2 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj2 s VAL 11 N 1.90 4.83 -0.09 1.61 1.01 -1.26 -4.33 120.40 124.07 3gj2 s VAL 11 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.86 3gj2 s VAL 11 Cb 0.00 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3gj2 s VAL 11 CO 0.00 0.24 -0.24 -0.69 0.00 0.00 0.00 175.10 174.42 3gj2 s VAL 12 N 0.61 2.02 0.44 2.92 1.01 0.37 -4.94 120.40 122.83 3gj2 s VAL 12 Ca 0.45 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 3gj2 s VAL 12 Cb -0.20 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.35 3gj2 s VAL 12 CO 0.25 0.55 1.07 -2.16 0.00 0.00 0.00 175.10 174.81 3gj2 s PRO 13 N 0.28 3.95 0.09 2.72 0.04 -1.26 -0.42 135.00 140.40 3gj2 s PRO 13 Ca -0.17 1.52 0.08 0.00 0.04 0.00 0.00 61.00 62.47 3gj2 s PRO 13 Cb -0.17 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 3gj2 s PRO 13 CO 0.08 -0.33 -0.21 0.42 0.04 0.00 0.00 177.00 177.00 3gj2 s ILE 14 N -1.74 1.71 -0.01 0.56 1.01 0.71 -1.07 121.20 122.38 3gj2 s ILE 14 Ca 0.62 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3gj2 s ILE 14 Cb -0.22 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3gj2 s ILE 14 CO 0.27 -0.02 -0.03 -0.22 0.00 0.00 0.00 174.94 174.94 3gj2 s LEU 15 N -1.79 1.85 -0.08 2.97 2.96 -0.49 -2.03 118.68 122.07 3gj2 s LEU 15 Ca 0.07 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3gj2 s LEU 15 Cb -0.10 -0.22 0.01 0.00 0.50 0.00 0.00 46.19 46.39 3gj2 s LEU 15 CO 0.04 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 3gj2 s VAL 16 N 0.13 1.28 -0.08 1.68 1.01 -0.27 0.45 120.40 124.60 3gj2 s VAL 16 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3gj2 s VAL 16 Cb -0.04 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gj2 s VAL 16 CO -0.00 0.39 -0.12 -1.61 0.00 0.00 0.00 175.10 173.76 3gj2 s GLU 17 N 0.76 1.73 -0.07 2.72 0.41 -0.68 -0.15 118.70 123.43 3gj2 s GLU 17 Ca -0.12 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 54.07 3gj2 s GLU 17 Cb -0.16 -1.49 0.01 0.00 -1.78 0.00 0.00 34.13 30.71 3gj2 s GLU 17 CO 0.02 -0.03 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.43 3gj2 s LEU 18 N 0.87 1.81 -0.19 1.80 0.20 0.08 -0.85 118.68 122.40 3gj2 s LEU 18 Ca -0.11 -0.37 -0.04 0.00 0.69 0.00 0.00 54.13 54.30 3gj2 s LEU 18 Cb -0.15 -0.99 -0.02 0.00 -0.43 0.00 0.00 46.19 44.60 3gj2 s LEU 18 CO 0.01 0.09 -0.02 -1.81 -0.29 0.00 0.00 176.35 174.34 3gj2 s ASP 19 N 0.44 4.74 0.18 3.68 1.01 -0.56 -1.45 116.67 124.72 3gj2 s ASP 19 Ca -0.13 -0.21 0.10 0.00 0.71 0.00 0.00 52.55 53.03 3gj2 s ASP 19 Cb -0.15 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 41.93 3gj2 s ASP 19 CO 0.05 0.08 -0.22 -0.83 0.21 0.00 0.00 175.17 174.45 3gj2 s GLY 20 N 0.89 1.61 -0.28 0.21 0.00 -0.20 -0.36 107.32 109.18 3gj2 s GLY 20 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3gj2 s GLY 20 CO 0.02 -1.62 0.40 -0.35 0.00 0.00 0.00 173.10 171.54 3gj2 s ASP 21 N -2.65 0.41 -0.28 1.64 -1.08 -0.72 -2.01 116.67 111.99 3gj2 s ASP 21 Ca 0.19 -0.24 -0.02 0.00 -0.52 0.00 0.00 52.55 51.96 3gj2 s ASP 21 Cb -0.07 1.08 0.04 0.00 -1.46 0.00 0.00 42.92 42.51 3gj2 s ASP 21 CO 0.09 -0.34 -0.03 -0.69 0.52 0.00 0.00 175.17 174.72 3gj2 s VAL 22 N 2.54 2.95 -1.57 1.11 1.01 -0.73 -0.49 120.40 125.21 3gj2 s VAL 22 Ca 0.11 -1.21 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 3gj2 s VAL 22 Cb -0.13 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.74 3gj2 s VAL 22 CO -0.27 0.03 0.83 0.59 0.00 0.00 0.00 175.10 176.28 3gj2 n ASN 23 N 4.65 -3.48 0.00 3.32 4.13 0.31 -1.27 115.26 122.93 3gj2 n ASN 23 Ca -0.15 -0.90 0.00 0.00 1.68 0.00 0.00 54.58 55.22 3gj2 n ASN 23 Cb 0.45 -3.37 0.00 0.00 -1.54 0.00 0.00 39.78 35.32 3gj2 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gj2 n GLY 24 N -1.61 2.30 3.60 7.41 0.00 -1.26 -5.02 105.19 110.61 3gj2 n GLY 24 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gj2 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj2 s HIS 25 N -2.35 3.10 0.05 1.61 3.76 -0.39 -5.02 115.29 116.04 3gj2 s HIS 25 Ca 0.00 0.73 -0.18 0.00 -0.15 0.00 0.00 55.06 55.46 3gj2 s HIS 25 Cb 0.00 -3.53 -0.06 0.00 1.11 0.00 0.00 32.58 30.09 3gj2 s HIS 25 CO 0.00 -0.77 0.54 0.15 -0.85 0.00 0.00 174.74 173.81 3gj2 s LYS 26 N 3.32 4.16 0.13 1.40 3.01 -1.26 -1.78 119.74 128.72 3gj2 s LYS 26 Ca 0.36 0.66 -0.15 0.00 -1.01 0.00 0.00 55.97 55.83 3gj2 s LYS 26 Cb -0.13 -3.25 0.03 0.00 -1.01 0.00 0.00 37.83 33.47 3gj2 s LYS 26 CO 0.17 0.61 0.37 -0.59 0.51 0.00 0.00 175.35 176.43 3gj2 s PHE 27 N -0.97 -0.12 0.01 3.18 -0.12 -0.85 -5.00 117.98 114.11 3gj2 s PHE 27 Ca 0.28 -0.21 0.05 0.00 -0.05 0.00 0.00 56.93 57.00 3gj2 s PHE 27 Cb -0.19 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 3gj2 s PHE 27 CO 0.17 -0.70 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.37 3gj2 s SER 28 N -2.82 1.84 -0.06 1.98 0.01 -1.26 -1.04 113.70 112.35 3gj2 s SER 28 Ca 0.04 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.99 3gj2 s SER 28 Cb 0.02 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 3gj2 s SER 28 CO -0.11 0.14 -0.20 -0.69 0.41 0.00 0.00 173.24 172.79 3gj2 s VAL 29 N -0.55 1.72 -0.07 3.43 1.01 -0.53 -1.28 120.40 124.14 3gj2 s VAL 29 Ca 0.05 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.20 3gj2 s VAL 29 Cb -0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3gj2 s VAL 29 CO 0.00 0.49 -0.13 -0.44 0.00 0.00 0.00 175.10 175.01 3gj2 s SER 30 N 0.11 4.08 0.09 3.32 0.01 -0.71 -0.74 113.70 119.86 3gj2 s SER 30 Ca -0.08 -0.20 0.09 0.00 1.31 0.00 0.00 55.95 57.07 3gj2 s SER 30 Cb -0.14 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 3gj2 s SER 30 CO 0.04 0.32 -0.24 -0.83 0.41 0.00 0.00 173.24 172.94 3gj2 s GLY 31 N -0.55 1.36 0.01 3.44 0.00 0.79 -0.70 107.32 111.66 3gj2 s GLY 31 Ca 0.08 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.37 3gj2 s GLY 31 CO 0.01 -1.25 0.28 -1.83 0.00 0.00 0.00 173.10 170.32 3gj2 s GLU 32 N -1.70 0.69 0.00 2.90 4.04 -0.32 -1.12 118.70 123.19 3gj2 s GLU 32 Ca 0.10 -0.32 0.00 0.00 0.04 0.00 0.00 54.97 54.79 3gj2 s GLU 32 Cb -0.10 0.30 0.00 0.00 0.02 0.00 0.00 34.13 34.35 3gj2 s GLU 32 CO 0.04 -0.20 0.00 0.41 -1.84 0.00 0.00 175.26 173.67 3gj2 n GLY 33 N 1.08 -0.95 3.35 -3.83 0.00 -0.86 -0.59 105.19 103.38 3gj2 n GLY 33 Ca -0.21 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 3gj2 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj2 s GLU 34 N -0.13 1.10 0.03 1.61 -1.05 -0.24 -0.21 118.70 119.82 3gj2 s GLU 34 Ca 0.00 -0.59 0.03 0.00 -0.15 0.00 0.00 54.97 54.26 3gj2 s GLU 34 Cb 0.00 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 3gj2 s GLU 34 CO 0.00 -0.44 -0.09 0.20 0.95 0.00 0.00 175.26 175.88 3gj2 s GLY 35 N -2.67 0.55 -0.36 -3.83 0.00 0.43 -1.19 107.32 100.26 3gj2 s GLY 35 Ca 0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 44.72 44.05 3gj2 s GLY 35 CO -0.11 -0.69 0.19 -0.35 0.00 0.00 0.00 173.10 172.14 3gj2 s ASP 36 N -1.17 3.44 0.52 1.64 -1.08 0.30 -0.48 116.67 119.85 3gj2 s ASP 36 Ca -0.04 -2.09 0.29 0.00 -0.52 0.00 0.00 52.55 50.19 3gj2 s ASP 36 Cb -0.08 -0.66 1.40 0.00 -1.46 0.00 0.00 42.92 42.13 3gj2 s ASP 36 CO 0.01 -0.33 2.03 0.00 0.52 0.00 0.00 175.17 177.39 3gj2 h ALA 37 N 7.32 1.16 -0.96 3.66 0.00 -1.73 -1.42 119.26 127.30 3gj2 h ALA 37 Ca -0.03 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.92 3gj2 h ALA 37 Cb 0.97 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 3gj2 h ALA 37 CO 0.39 0.15 0.61 1.15 0.00 0.00 0.00 179.25 181.54 3gj2 h THR 38 N 0.00 0.83 -0.01 0.00 2.02 -1.86 -1.61 112.91 112.28 3gj2 h THR 38 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3gj2 h THR 38 Cb 0.42 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3gj2 h THR 38 CO 0.02 0.15 -0.70 -1.22 0.37 0.00 0.00 175.52 174.13 3gj2 n TYR 39 N -4.62 0.00 -1.12 3.16 4.01 -0.61 -4.93 117.16 113.04 3gj2 n TYR 39 Ca 0.19 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.89 3gj2 n TYR 39 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3gj2 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj2 n GLY 40 N 1.42 0.71 3.59 2.72 0.00 -0.61 -4.79 105.19 108.24 3gj2 n GLY 40 Ca 0.06 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3gj2 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj2 s LYS 41 N -2.29 2.92 -0.01 1.61 2.20 -1.02 -0.77 119.74 122.39 3gj2 s LYS 41 Ca 0.00 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 3gj2 s LYS 41 Cb 0.00 -2.67 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3gj2 s LYS 41 CO 0.00 0.61 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.94 3gj2 s LEU 42 N -0.66 2.03 -0.11 5.43 1.43 -0.19 -0.54 118.68 126.09 3gj2 s LEU 42 Ca 0.10 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3gj2 s LEU 42 Cb -0.12 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.37 3gj2 s LEU 42 CO 0.02 0.18 -0.10 0.42 0.23 0.00 0.00 176.35 177.10 3gj2 s THR 43 N -0.37 1.12 0.01 5.49 -4.23 -0.33 -1.63 115.64 115.70 3gj2 s THR 43 Ca 0.06 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 3gj2 s THR 43 Cb -0.06 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.68 3gj2 s THR 43 CO -0.00 0.38 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.68 3gj2 s LEU 44 N 1.44 2.07 -0.03 4.79 1.43 -0.03 -1.08 118.68 127.27 3gj2 s LEU 44 Ca 0.00 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3gj2 s LEU 44 Cb -0.13 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.06 3gj2 s LEU 44 CO -0.06 -0.07 -0.19 -0.75 0.23 0.00 0.00 176.35 175.51 3gj2 s LYS 45 N -0.42 1.74 0.01 1.70 2.20 0.24 -1.01 119.74 124.19 3gj2 s LYS 45 Ca -0.04 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 54.96 3gj2 s LYS 45 Cb -0.03 -1.59 -0.02 0.00 -1.51 0.00 0.00 37.83 34.68 3gj2 s LYS 45 CO -0.00 0.35 -0.22 -0.06 -0.36 0.00 0.00 175.35 175.05 3gj2 s PHE 46 N -0.23 1.98 -0.07 4.03 0.08 0.19 -1.18 117.98 122.78 3gj2 s PHE 46 Ca 0.02 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.73 3gj2 s PHE 46 Cb -0.10 -1.24 -0.00 0.00 -0.57 0.00 0.00 43.02 41.11 3gj2 s PHE 46 CO 0.01 0.02 -0.20 0.42 -0.10 0.00 0.00 175.22 175.36 3gj2 s ILE 47 N -0.63 1.74 -0.50 0.64 -1.09 0.12 -1.41 121.20 120.07 3gj2 s ILE 47 Ca 0.09 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.37 3gj2 s ILE 47 Cb -0.09 -1.50 0.03 0.00 -1.58 0.00 0.00 42.46 39.32 3gj2 s ILE 47 CO 0.00 0.49 1.05 0.00 -1.23 0.00 0.00 174.94 175.25 3gj2 n THR 49 N 6.59 0.23 1.02 0.00 -2.24 -0.40 -3.28 114.28 116.20 3gj2 n THR 49 Ca 0.08 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.83 3gj2 n THR 49 Cb 0.49 -0.14 0.27 0.00 -2.10 0.00 0.00 70.33 68.85 3gj2 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj2 n THR 50 N -1.85 0.14 0.00 4.28 -2.24 -1.24 -4.99 114.28 108.37 3gj2 n THR 50 Ca 0.05 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3gj2 n THR 50 Cb 0.39 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3gj2 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj2 n GLY 51 N 1.31 0.29 3.74 3.38 0.00 -1.20 -4.98 105.19 107.72 3gj2 n GLY 51 Ca 0.17 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3gj2 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj2 s LYS 52 N -0.09 4.74 -0.19 1.61 -0.14 -1.26 -4.50 119.74 119.91 3gj2 s LYS 52 Ca 0.00 1.53 -0.29 0.00 -1.36 0.00 0.00 55.97 55.84 3gj2 s LYS 52 Cb 0.00 -3.32 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 3gj2 s LYS 52 CO 0.00 0.30 1.23 -1.17 -0.76 0.00 0.00 175.35 174.96 3gj2 s LEU 53 N -0.57 4.14 0.00 3.17 2.96 -1.26 -4.94 118.68 122.19 3gj2 s LEU 53 Ca 0.45 1.60 0.22 0.00 -0.22 0.00 0.00 54.13 56.17 3gj2 s LEU 53 Cb -0.26 -3.54 1.00 0.00 0.50 0.00 0.00 46.19 43.90 3gj2 s LEU 53 CO 0.32 -0.78 1.70 -0.81 -1.32 0.00 0.00 176.35 175.46 3gj2 n PRO 54 N 6.63 0.14 -4.38 0.98 -0.04 -1.26 -4.77 135.00 132.30 3gj2 n PRO 54 Ca 0.14 0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 3gj2 n PRO 54 Cb 0.45 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3gj2 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj2 s VAL 55 N -2.81 1.85 0.28 0.52 -7.23 -1.26 -4.60 120.40 107.15 3gj2 s VAL 55 Ca 0.15 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 3gj2 s VAL 55 Cb 0.14 -2.17 -0.10 0.00 0.56 0.00 0.00 36.38 34.82 3gj2 s VAL 55 CO 0.37 -0.50 1.16 -2.84 -0.31 0.00 0.00 175.10 172.97 3gj2 s PRO 56 N -3.64 4.56 0.32 4.82 0.02 -1.26 -4.92 135.00 134.90 3gj2 s PRO 56 Ca 0.25 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.25 3gj2 s PRO 56 Cb -0.01 -3.17 0.91 0.00 0.02 0.00 0.00 34.50 32.26 3gj2 s PRO 56 CO 0.09 0.08 1.59 -1.49 -0.33 0.00 0.00 177.00 176.94 3gj2 h TRP 57 N 3.86 0.27 0.00 6.54 4.06 -1.97 -1.71 115.95 127.00 3gj2 h TRP 57 Ca -0.47 0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.54 3gj2 h TRP 57 Cb 1.22 0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 3gj2 h TRP 57 CO 0.58 -0.40 0.00 -1.35 -3.56 0.00 0.00 178.44 173.71 3gj2 h PRO 58 N 0.05 0.00 0.00 0.49 0.11 -1.89 -0.62 132.00 130.14 3gj2 h PRO 58 Ca 0.66 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.77 3gj2 h PRO 58 Cb 1.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.60 3gj2 h PRO 58 CO -0.83 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 178.75 3gj2 h THR 59 N 0.00 0.00 -0.01 -1.15 1.35 -1.69 -2.93 112.91 108.49 3gj2 h THR 59 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3gj2 h THR 59 Cb 0.13 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3gj2 h THR 59 CO 0.00 0.00 -0.49 0.18 -0.25 0.00 0.00 175.52 174.96 3gj2 n LEU 60 N -2.45 1.40 -0.18 3.87 4.77 -0.24 -4.65 117.00 119.52 3gj2 n LEU 60 Ca 0.03 -0.68 -0.04 0.00 -0.03 0.00 0.00 56.01 55.29 3gj2 n LEU 60 Cb 0.33 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3gj2 n LEU 60 CO 0.26 0.28 0.68 0.58 -1.33 0.00 0.00 177.39 177.85 3gj2 h VAL 61 N 1.29 0.27 0.00 4.08 2.07 -1.51 -1.51 116.25 120.94 3gj2 h VAL 61 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3gj2 h VAL 61 Cb 0.52 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3gj2 h VAL 61 CO 0.00 0.00 -0.41 0.71 0.02 0.00 0.00 177.57 177.89 3gj2 h THR 62 N -0.13 1.24 -0.15 2.57 1.35 -1.83 -3.06 112.91 112.91 3gj2 h THR 62 Ca 0.24 -1.45 -0.10 0.00 -0.55 0.00 0.00 66.41 64.56 3gj2 h THR 62 Cb 0.51 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3gj2 h THR 62 CO -0.62 0.41 -0.29 0.74 -0.25 0.00 0.00 175.52 175.51 3gj2 h THR 63 N 0.00 1.36 0.00 6.82 2.02 -1.70 -3.46 112.91 117.96 3gj2 h THR 63 Ca -0.00 -1.54 -0.14 0.00 0.77 0.00 0.00 66.41 65.49 3gj2 h THR 63 Cb 0.76 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3gj2 h THR 63 CO 0.05 0.46 0.93 0.49 0.37 0.00 0.00 175.52 177.83 3gj2 n PHE 64 N -4.40 0.36 0.00 3.16 3.72 -0.63 -5.02 117.46 114.66 3gj2 n PHE 64 Ca -0.07 -0.92 0.00 0.00 -0.05 0.00 0.00 57.45 56.41 3gj2 n PHE 64 Cb 0.47 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3gj2 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj2 n VAL 68 N 3.48 0.00 1.10 -4.37 0.24 -1.26 -5.00 118.33 112.52 3gj2 n VAL 68 Ca 0.21 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 3gj2 n VAL 68 Cb 0.24 0.00 0.57 0.00 -1.47 0.00 0.00 33.84 33.18 3gj2 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj2 n GLN 69 N 0.00 0.39 0.28 7.34 6.02 -1.26 -1.48 117.38 128.67 3gj2 n GLN 69 Ca 0.00 0.07 0.19 0.00 -0.01 0.00 0.00 57.00 57.24 3gj2 n GLN 69 Cb 0.00 -1.50 0.98 0.00 1.02 0.00 0.00 30.24 30.74 3gj2 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj2 n PHE 71 N -2.81 0.34 -2.20 0.00 3.72 -0.55 -4.66 117.46 111.30 3gj2 n PHE 71 Ca -0.02 -0.17 -0.37 0.00 -0.05 0.00 0.00 57.45 56.83 3gj2 n PHE 71 Cb 0.08 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3gj2 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj2 s SER 72 N -1.24 6.12 -0.47 4.37 0.01 -0.96 -4.20 113.70 117.32 3gj2 s SER 72 Ca 0.27 2.38 -0.25 0.00 1.31 0.00 0.00 55.95 59.65 3gj2 s SER 72 Cb 0.14 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.79 3gj2 s SER 72 CO 0.20 -0.95 0.92 -0.60 0.41 0.00 0.00 173.24 173.22 3gj2 s ARG 73 N -2.64 3.50 -0.34 12.44 3.52 -0.10 -4.77 118.95 130.56 3gj2 s ARG 73 Ca 0.63 0.10 -0.19 0.00 -0.13 0.00 0.00 55.73 56.14 3gj2 s ARG 73 Cb -0.31 -3.94 -0.00 0.00 -1.56 0.00 0.00 34.95 29.14 3gj2 s ARG 73 CO 0.37 -1.25 0.58 0.71 -0.81 0.00 0.00 175.30 174.90 3gj2 s TYR 74 N 3.76 3.18 0.71 5.12 1.51 -1.26 -0.53 117.35 129.85 3gj2 s TYR 74 Ca 0.36 0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 56.60 3gj2 s TYR 74 Cb -0.10 -3.00 -0.05 0.00 -0.11 0.00 0.00 41.96 38.70 3gj2 s TYR 74 CO 0.25 -0.54 0.49 -2.30 -1.11 0.00 0.00 175.55 172.34 3gj2 n PRO 75 N 5.86 0.30 -0.26 -1.71 -0.02 -1.26 -4.75 135.00 133.15 3gj2 n PRO 75 Ca -0.03 0.14 0.17 0.00 -2.02 0.00 0.00 63.50 61.76 3gj2 n PRO 75 Cb 0.49 -1.78 0.47 0.00 -0.02 0.00 0.00 33.50 32.65 3gj2 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gj2 h ASP 76 N -0.33 0.49 1.31 2.55 3.45 -2.00 0.54 116.42 122.43 3gj2 h ASP 76 Ca -0.45 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.06 3gj2 h ASP 76 Cb 1.35 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3gj2 h ASP 76 CO 0.42 0.20 0.00 0.00 -1.57 0.00 0.00 179.24 178.30 3gj2 n HIS 77 N -4.55 0.78 -0.36 4.55 1.44 -1.26 -3.32 115.22 112.49 3gj2 n HIS 77 Ca 0.20 0.24 0.08 0.00 -2.01 0.00 0.00 57.72 56.22 3gj2 n HIS 77 Cb 0.65 -0.88 0.22 0.00 0.12 0.00 0.00 29.99 30.10 3gj2 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3gj2 n MET 78 N -2.14 2.96 0.11 -1.40 2.81 0.18 -4.62 117.12 115.01 3gj2 n MET 78 Ca 0.05 -2.37 0.04 0.00 -1.81 0.00 0.00 57.70 53.62 3gj2 n MET 78 Cb 0.39 -1.47 0.46 0.00 -0.71 0.00 0.00 33.22 31.89 3gj2 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj2 h LYS 79 N 2.70 0.29 0.00 0.03 1.57 -1.54 0.28 116.57 119.90 3gj2 h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gj2 h LYS 79 Cb 0.95 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3gj2 h LYS 79 CO 0.05 0.29 0.00 2.89 -0.57 0.00 0.00 179.45 182.11 3gj2 n ARG 80 N -4.40 0.03 -0.02 3.15 1.85 -1.26 -2.21 116.66 113.80 3gj2 n ARG 80 Ca 0.00 0.22 0.13 0.00 -1.00 0.00 0.00 57.85 57.20 3gj2 n ARG 80 Cb 0.16 -1.55 0.49 0.00 -1.05 0.00 0.00 32.46 30.51 3gj2 n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3gj2 n HIS 81 N -1.60 0.06 -2.63 2.89 8.25 0.09 -4.60 115.22 117.67 3gj2 n HIS 81 Ca 0.04 -0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 3gj2 n HIS 81 Cb 0.22 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 3gj2 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj2 s ASP 82 N -1.88 6.84 0.24 0.41 -1.08 -0.94 -4.49 116.67 115.78 3gj2 s ASP 82 Ca 0.37 -2.45 -0.06 0.00 -0.52 0.00 0.00 52.55 49.89 3gj2 s ASP 82 Cb 0.20 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.42 3gj2 s ASP 82 CO 0.32 -1.14 1.86 0.15 0.52 0.00 0.00 175.17 176.88 3gj2 h PHE 83 N 7.68 1.03 -0.16 -5.34 3.57 -1.87 -1.97 116.94 119.88 3gj2 h PHE 83 Ca 0.41 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 3gj2 h PHE 83 Cb 0.88 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3gj2 h PHE 83 CO 1.38 0.55 0.10 0.74 -2.23 0.00 0.00 178.31 178.84 3gj2 h PHE 84 N 1.04 0.22 -0.04 0.41 0.04 -1.89 -2.04 116.94 114.68 3gj2 h PHE 84 Ca 0.37 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.94 3gj2 h PHE 84 Cb 0.11 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 3gj2 h PHE 84 CO -0.02 0.19 -0.80 0.87 -0.60 0.00 0.00 178.31 177.95 3gj2 h LYS 85 N 0.18 0.35 -0.83 1.51 1.57 -1.82 -3.12 116.57 114.42 3gj2 h LYS 85 Ca 0.06 -0.33 0.14 0.00 -1.87 0.00 0.00 60.65 58.65 3gj2 h LYS 85 Cb 0.04 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 3gj2 h LYS 85 CO -0.01 0.99 0.54 0.66 -0.57 0.00 0.00 179.45 181.06 3gj2 h SER 86 N 0.23 0.54 0.51 0.86 4.64 -0.92 -0.16 113.55 119.25 3gj2 h SER 86 Ca -0.04 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gj2 h SER 86 Cb 1.40 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3gj2 h SER 86 CO 0.13 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 3gj2 n ALA 87 N -2.47 2.13 -2.30 5.18 0.00 -0.81 -4.79 120.51 117.46 3gj2 n ALA 87 Ca 0.16 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.22 3gj2 n ALA 87 Cb 0.48 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 3gj2 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj2 s MET 88 N -2.67 3.60 0.06 0.00 1.00 -0.07 -1.26 119.30 119.96 3gj2 s MET 88 Ca 0.19 0.22 0.27 0.00 0.00 0.00 0.00 55.69 56.37 3gj2 s MET 88 Cb 0.15 -2.42 1.09 0.00 0.00 0.00 0.00 34.83 33.65 3gj2 s MET 88 CO 0.36 -0.11 1.86 -0.35 0.00 0.00 0.00 175.02 176.79 3gj2 n PRO 89 N -1.88 0.08 -0.33 2.03 -0.04 -1.26 -4.59 135.00 129.01 3gj2 n PRO 89 Ca 0.00 0.08 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 3gj2 n PRO 89 Cb 0.55 -1.59 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 3gj2 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gj2 h GLU 90 N 0.00 1.20 0.00 0.54 3.07 -1.89 -2.26 114.58 115.23 3gj2 h GLU 90 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3gj2 h GLU 90 Cb 0.55 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3gj2 h GLU 90 CO 0.00 0.81 0.00 0.41 -1.40 0.00 0.00 179.01 178.83 3gj2 n GLY 91 N -1.30 -0.63 3.21 -3.84 0.00 -0.39 -4.70 105.19 97.55 3gj2 n GLY 91 Ca 0.10 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 3gj2 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj2 s TYR 92 N 0.00 0.10 -0.15 1.61 -0.85 -0.24 -2.09 117.35 115.74 3gj2 s TYR 92 Ca 0.00 -0.47 -0.13 0.00 -0.52 0.00 0.00 57.07 55.96 3gj2 s TYR 92 Cb 0.00 -0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.26 3gj2 s TYR 92 CO 0.00 -0.52 0.26 0.08 -1.52 0.00 0.00 175.55 173.85 3gj2 s VAL 93 N -3.50 5.32 -0.15 -3.49 1.01 0.22 -0.82 120.40 118.99 3gj2 s VAL 93 Ca 0.02 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3gj2 s VAL 93 Cb 0.03 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.83 3gj2 s VAL 93 CO -0.09 0.44 -0.20 -1.58 0.00 0.00 0.00 175.10 173.66 3gj2 s GLN 94 N 0.15 3.05 -0.06 2.72 0.74 0.69 -1.45 119.66 125.51 3gj2 s GLN 94 Ca 0.16 -0.83 0.05 0.00 0.05 0.00 0.00 55.36 54.78 3gj2 s GLN 94 Cb -0.13 -2.49 -0.00 0.00 1.10 0.00 0.00 33.01 31.49 3gj2 s GLN 94 CO 0.04 -0.04 -0.21 -1.21 -0.55 0.00 0.00 175.29 173.32 3gj2 s GLU 95 N 0.88 2.33 0.07 1.67 2.02 0.22 -0.88 118.70 125.01 3gj2 s GLU 95 Ca -0.05 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3gj2 s GLU 95 Cb -0.15 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 3gj2 s GLU 95 CO -0.03 0.28 -0.08 1.03 0.02 0.00 0.00 175.26 176.48 3gj2 s ARG 96 N 0.04 0.70 -0.09 1.61 0.52 -0.81 -0.92 118.95 119.99 3gj2 s ARG 96 Ca -0.07 -1.02 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 3gj2 s ARG 96 Cb -0.14 -0.33 -0.02 0.00 0.52 0.00 0.00 34.95 34.98 3gj2 s ARG 96 CO 0.04 0.04 -0.17 0.95 0.02 0.00 0.00 175.30 176.19 3gj2 s THR 97 N -2.28 2.79 -0.23 0.02 -4.23 -0.86 -0.38 115.64 110.46 3gj2 s THR 97 Ca 0.00 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3gj2 s THR 97 Cb -0.04 -2.12 0.03 0.00 1.34 0.00 0.00 72.50 71.72 3gj2 s THR 97 CO -0.01 0.55 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.89 3gj2 s ILE 98 N -0.04 2.54 -0.32 2.99 1.01 0.19 -1.52 121.20 126.04 3gj2 s ILE 98 Ca -0.04 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.39 3gj2 s ILE 98 Cb -0.14 -2.27 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 3gj2 s ILE 98 CO 0.04 0.24 0.16 -0.44 0.00 0.00 0.00 174.94 174.94 3gj2 s SER 99 N 1.27 5.56 -0.35 3.58 0.01 -0.39 0.04 113.70 123.42 3gj2 s SER 99 Ca -0.00 -0.60 -0.26 0.00 1.31 0.00 0.00 55.95 56.40 3gj2 s SER 99 Cb -0.16 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.08 3gj2 s SER 99 CO -0.07 -0.22 0.95 -0.36 0.41 0.00 0.00 173.24 173.95 3gj2 s PHE 100 N 1.60 3.11 -0.10 2.43 0.08 0.07 -0.66 117.98 124.51 3gj2 s PHE 100 Ca 0.04 0.88 -0.39 0.00 0.12 0.00 0.00 56.93 57.58 3gj2 s PHE 100 Cb -0.17 -3.61 -0.17 0.00 -0.57 0.00 0.00 43.02 38.49 3gj2 s PHE 100 CO 0.06 -0.79 1.48 1.17 -0.10 0.00 0.00 175.22 177.04 3gj2 n LYS 101 N 6.74 0.94 -2.76 0.44 4.81 -0.93 -0.25 118.16 127.15 3gj2 n LYS 101 Ca 0.08 0.34 -0.21 0.00 -0.87 0.00 0.00 58.31 57.65 3gj2 n LYS 101 Cb 0.48 -1.97 0.01 0.00 0.02 0.00 0.00 35.03 33.57 3gj2 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gj2 n ASP 102 N 3.56 -5.79 -0.23 3.14 8.00 -1.26 -4.83 116.55 119.13 3gj2 n ASP 102 Ca 0.22 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3gj2 n ASP 102 Cb 0.14 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 3gj2 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj2 n ASP 103 N -2.27 0.00 -2.85 -2.24 -0.08 0.65 -4.95 116.55 104.81 3gj2 n ASP 103 Ca -0.16 -0.23 -0.07 0.00 -1.51 0.00 0.00 54.79 52.81 3gj2 n ASP 103 Cb 0.64 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.16 3gj2 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj2 n GLY 104 N 0.00 -2.97 3.10 0.27 0.00 -0.84 -4.54 105.19 100.21 3gj2 n GLY 104 Ca 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3gj2 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj2 s ASN 105 N -2.20 0.10 0.05 1.61 2.20 -0.97 -0.75 114.94 114.98 3gj2 s ASN 105 Ca 0.16 -0.35 0.04 0.00 -0.94 0.00 0.00 52.86 51.77 3gj2 s ASN 105 Cb -0.02 0.20 -0.04 0.00 -2.00 0.00 0.00 41.25 39.39 3gj2 s ASN 105 CO 0.12 -0.41 -0.01 -0.31 -2.94 0.00 0.00 177.10 173.56 3gj2 s TYR 106 N -1.81 3.01 -0.10 1.54 2.02 0.11 -2.17 117.35 119.94 3gj2 s TYR 106 Ca -0.12 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 3gj2 s TYR 106 Cb -0.06 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 3gj2 s TYR 106 CO -0.01 0.46 -0.18 0.15 -1.57 0.00 0.00 175.55 174.40 3gj2 s LYS 107 N -1.99 2.49 0.02 -0.62 1.02 0.25 0.53 119.74 121.44 3gj2 s LYS 107 Ca 0.23 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 55.62 3gj2 s LYS 107 Cb -0.12 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3gj2 s LYS 107 CO 0.15 0.02 -0.20 0.95 -0.92 0.00 0.00 175.35 175.35 3gj2 s THR 108 N 0.74 1.61 -0.07 2.17 -4.23 0.49 -1.35 115.64 114.99 3gj2 s THR 108 Ca -0.11 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.35 3gj2 s THR 108 Cb -0.16 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.32 3gj2 s THR 108 CO 0.02 0.28 -0.10 -0.60 -0.54 0.00 0.00 174.62 173.67 3gj2 s ARG 109 N -0.93 1.57 -0.00 3.99 3.52 -0.60 -1.92 118.95 124.57 3gj2 s ARG 109 Ca 0.07 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3gj2 s ARG 109 Cb -0.08 -1.37 -0.00 0.00 -1.56 0.00 0.00 34.95 31.93 3gj2 s ARG 109 CO 0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 175.30 174.42 3gj2 s ALA 110 N 0.89 0.34 -0.17 6.12 0.00 -0.06 -0.44 121.76 128.44 3gj2 s ALA 110 Ca -0.11 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 3gj2 s ALA 110 Cb -0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3gj2 s ALA 110 CO 0.01 0.08 0.03 -1.21 0.00 0.00 0.00 175.76 174.67 3gj2 s GLU 111 N -0.15 3.81 -0.27 0.00 2.02 -0.08 -0.22 118.70 123.80 3gj2 s GLU 111 Ca 0.01 -0.39 -0.00 0.00 0.02 0.00 0.00 54.97 54.61 3gj2 s GLU 111 Cb -0.02 -3.10 0.05 0.00 0.10 0.00 0.00 34.13 31.16 3gj2 s GLU 111 CO -0.00 0.31 -0.05 0.08 0.02 0.00 0.00 175.26 175.62 3gj2 s VAL 112 N 0.23 2.69 0.10 2.63 1.01 -0.00 -0.93 120.40 126.13 3gj2 s VAL 112 Ca 0.02 -1.37 -0.23 0.00 0.00 0.00 0.00 61.98 60.40 3gj2 s VAL 112 Cb -0.13 -2.51 0.06 0.00 0.00 0.00 0.00 36.38 33.81 3gj2 s VAL 112 CO 0.01 -0.00 0.58 -1.59 0.00 0.00 0.00 175.10 174.10 3gj2 s LYS 113 N 1.22 1.18 0.12 2.72 -2.85 -0.86 -1.08 119.74 120.19 3gj2 s LYS 113 Ca -0.05 -0.34 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 3gj2 s LYS 113 Cb -0.19 0.54 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 3gj2 s LYS 113 CO -0.03 -0.47 1.14 -0.06 0.10 0.00 0.00 175.35 176.03 3gj2 s PHE 114 N -3.11 3.52 -0.32 1.78 0.40 -0.85 -0.84 117.98 118.56 3gj2 s PHE 114 Ca -0.02 1.47 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 3gj2 s PHE 114 Cb -0.00 -3.34 0.09 0.00 0.51 0.00 0.00 43.02 40.28 3gj2 s PHE 114 CO -0.07 -0.90 0.05 -1.21 0.70 0.00 0.00 175.22 173.78 3gj2 s GLU 115 N 0.26 1.31 6.95 0.44 2.02 0.28 -4.92 118.70 125.05 3gj2 s GLU 115 Ca 0.53 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.99 3gj2 s GLU 115 Cb -0.29 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3gj2 s GLU 115 CO 0.33 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 175.12 3gj2 n GLY 116 N 4.47 2.38 0.24 -1.39 0.00 -1.26 -2.62 105.19 107.01 3gj2 n GLY 116 Ca -0.00 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.81 3gj2 n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gj2 n ASP 117 N 5.07 0.74 -4.46 1.61 5.75 -1.26 -4.90 116.55 119.09 3gj2 n ASP 117 Ca 0.00 -1.27 -0.33 0.00 -0.01 0.00 0.00 54.79 53.17 3gj2 n ASP 117 Cb 0.00 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 3gj2 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3gj2 s THR 118 N -1.99 3.63 -0.36 2.12 2.01 -1.08 -4.36 115.64 115.62 3gj2 s THR 118 Ca 0.42 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 3gj2 s THR 118 Cb 0.21 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 70.16 3gj2 s THR 118 CO 0.34 0.51 1.23 -0.22 -0.69 0.00 0.00 174.62 175.79 3gj2 s LEU 119 N 0.30 3.79 -0.17 4.42 1.98 -0.23 -0.55 118.68 128.21 3gj2 s LEU 119 Ca -0.05 0.95 -0.05 0.00 -2.89 0.00 0.00 54.13 52.08 3gj2 s LEU 119 Cb -0.15 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.13 3gj2 s LEU 119 CO 0.04 -1.12 0.00 -0.69 -1.89 0.00 0.00 176.35 172.68 3gj2 s VAL 120 N 4.38 4.15 -0.31 1.68 1.01 -0.02 -1.39 120.40 129.90 3gj2 s VAL 120 Ca 0.53 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 3gj2 s VAL 120 Cb -0.13 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.43 3gj2 s VAL 120 CO 0.25 0.47 0.06 0.21 0.00 0.00 0.00 175.10 176.08 3gj2 s ASN 121 N 0.53 5.06 -0.20 3.32 2.47 0.17 -2.03 114.94 124.26 3gj2 s ASN 121 Ca -0.01 -1.06 -0.03 0.00 0.42 0.00 0.00 52.86 52.19 3gj2 s ASN 121 Cb -0.14 -1.81 -0.00 0.00 -1.45 0.00 0.00 41.25 37.85 3gj2 s ASN 121 CO 0.02 -0.26 -0.08 -0.13 -3.72 0.00 0.00 177.10 172.93 3gj2 s ARG 122 N 1.38 3.31 -0.05 0.43 0.52 -0.10 -1.68 118.95 122.76 3gj2 s ARG 122 Ca -0.02 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.58 3gj2 s ARG 122 Cb -0.19 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 3gj2 s ARG 122 CO 0.01 -0.16 -0.21 0.42 0.02 0.00 0.00 175.30 175.38 3gj2 s ILE 123 N 1.34 1.71 -0.18 1.52 1.01 -0.03 -0.90 121.20 125.67 3gj2 s ILE 123 Ca 0.04 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 3gj2 s ILE 123 Cb -0.14 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3gj2 s ILE 123 CO -0.04 0.48 0.00 -1.61 0.00 0.00 0.00 174.94 173.77 3gj2 s GLU 124 N -0.10 3.72 -0.04 2.79 8.01 0.42 -1.49 118.70 132.01 3gj2 s GLU 124 Ca -0.03 -0.48 0.06 0.00 0.01 0.00 0.00 54.97 54.54 3gj2 s GLU 124 Cb -0.12 -3.05 -0.02 0.00 -4.31 0.00 0.00 34.13 26.63 3gj2 s GLU 124 CO 0.03 0.16 -0.23 -1.17 0.01 0.00 0.00 175.26 174.06 3gj2 s LEU 125 N 0.61 2.21 -0.10 1.80 0.20 0.51 -1.56 118.68 122.35 3gj2 s LEU 125 Ca -0.00 -0.43 -0.01 0.00 0.69 0.00 0.00 54.13 54.37 3gj2 s LEU 125 Cb -0.14 -1.40 0.03 0.00 -0.43 0.00 0.00 46.19 44.25 3gj2 s LEU 125 CO 0.02 0.29 -0.02 -1.59 -0.29 0.00 0.00 176.35 174.76 3gj2 s LYS 126 N -0.42 0.91 -0.09 1.98 0.00 -0.45 -1.75 119.74 119.92 3gj2 s LYS 126 Ca 0.04 -0.08 0.02 0.00 0.00 0.00 0.00 55.97 55.95 3gj2 s LYS 126 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 37.83 36.38 3gj2 s LYS 126 CO 0.01 -0.33 -0.14 0.20 0.00 0.00 0.00 175.35 175.09 3gj2 s GLY 127 N 1.87 1.53 0.13 0.59 0.00 0.35 0.84 107.32 112.63 3gj2 s GLY 127 Ca 0.04 -0.94 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 3gj2 s GLY 127 CO -0.06 -0.49 0.02 -0.26 0.00 0.00 0.00 173.10 172.31 3gj2 s ILE 128 N -0.21 0.30 -1.73 0.90 -4.36 -0.92 -0.53 121.20 114.66 3gj2 s ILE 128 Ca 0.00 -1.92 -0.01 0.00 -0.26 0.00 0.00 60.65 58.47 3gj2 s ILE 128 Cb -0.13 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.61 3gj2 s ILE 128 CO 0.03 -0.57 0.16 0.47 0.24 0.00 0.00 174.94 175.27 3gj2 n ASP 129 N -0.10 -5.98 -4.79 4.36 8.00 -1.26 -2.28 116.55 114.50 3gj2 n ASP 129 Ca -0.07 -0.09 -0.36 0.00 0.71 0.00 0.00 54.79 54.98 3gj2 n ASP 129 Cb 0.63 -4.94 -0.06 0.00 -0.02 0.00 0.00 41.12 36.74 3gj2 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj2 s PHE 130 N -3.08 3.48 -0.07 1.24 0.40 -1.26 -1.99 117.98 116.70 3gj2 s PHE 130 Ca 0.08 1.70 -0.29 0.00 -0.60 0.00 0.00 56.93 57.82 3gj2 s PHE 130 Cb -0.04 -2.96 -0.02 0.00 0.51 0.00 0.00 43.02 40.52 3gj2 s PHE 130 CO 0.10 -0.10 0.95 0.15 0.70 0.00 0.00 175.22 177.02 3gj2 s LYS 131 N -2.48 4.46 0.65 0.44 1.02 -1.26 -4.85 119.74 117.71 3gj2 s LYS 131 Ca 0.55 1.32 0.35 0.00 0.02 0.00 0.00 55.97 58.21 3gj2 s LYS 131 Cb -0.17 -3.51 1.91 0.00 -0.52 0.00 0.00 37.83 35.54 3gj2 s LYS 131 CO 0.22 -0.20 2.12 1.05 -0.92 0.00 0.00 175.35 177.62 3gj2 h GLU 132 N 7.00 0.00 0.00 1.68 -0.00 -1.96 -0.44 114.58 120.85 3gj2 h GLU 132 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 3gj2 h GLU 132 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 3gj2 h GLU 132 CO 0.81 0.00 -0.18 -0.40 -0.00 0.00 0.00 179.01 179.24 3gj2 n ASP 133 N -3.19 1.47 -2.53 3.06 5.68 -1.26 -4.21 116.55 115.58 3gj2 n ASP 133 Ca -0.01 -2.65 -0.03 0.00 -0.50 0.00 0.00 54.79 51.61 3gj2 n ASP 133 Cb 0.27 -0.33 0.02 0.00 -1.14 0.00 0.00 41.12 39.94 3gj2 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gj2 n GLY 134 N -0.88 -2.27 0.15 6.12 0.00 -0.18 -4.70 105.19 103.43 3gj2 n GLY 134 Ca 0.10 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.64 3gj2 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gj2 h ASN 135 N -1.00 0.00 0.00 1.61 2.35 -1.95 -0.90 115.58 115.69 3gj2 h ASN 135 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3gj2 h ASN 135 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3gj2 h ASN 135 CO 0.02 0.54 0.00 -0.38 -1.65 0.00 0.00 177.43 175.97 3gj2 n ILE 136 N -3.65 0.00 0.09 2.81 -0.00 -1.26 -1.31 119.36 116.03 3gj2 n ILE 136 Ca -0.01 0.38 0.20 0.00 -0.00 0.00 0.00 62.75 63.33 3gj2 n ILE 136 Cb 0.60 -1.21 0.75 0.00 -0.00 0.00 0.00 39.64 39.78 3gj2 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gj2 h LEU 137 N 0.00 0.00 -0.41 1.39 3.38 -1.77 0.19 115.31 118.08 3gj2 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj2 h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gj2 h LEU 137 CO 0.00 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 179.03 3gj2 n GLY 138 N -1.52 -0.69 3.54 0.83 0.00 -0.34 -4.91 105.19 102.10 3gj2 n GLY 138 Ca 0.07 -0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3gj2 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj2 n HIS 139 N -0.67 -2.09 0.53 1.61 8.25 0.67 -4.93 115.22 118.60 3gj2 n HIS 139 Ca 0.16 0.58 0.06 0.00 -0.26 0.00 0.00 57.72 58.26 3gj2 n HIS 139 Cb 0.29 -3.66 0.04 0.00 1.12 0.00 0.00 29.99 27.78 3gj2 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj2 n LYS 140 N -3.87 0.98 -2.32 -0.41 5.02 -0.43 -4.97 118.16 112.16 3gj2 n LYS 140 Ca -0.08 -1.15 -0.41 0.00 -2.02 0.00 0.00 58.31 54.64 3gj2 n LYS 140 Cb 0.60 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.35 3gj2 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gj2 s LEU 141 N -1.19 4.42 0.72 -0.35 1.02 -1.25 -1.40 118.68 120.65 3gj2 s LEU 141 Ca 0.14 2.26 -0.15 0.00 0.02 0.00 0.00 54.13 56.39 3gj2 s LEU 141 Cb 0.10 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.75 3gj2 s LEU 141 CO 0.18 -0.46 1.19 -1.61 0.02 0.00 0.00 176.35 175.68 3gj2 s GLU 142 N 0.16 2.23 -1.16 1.70 2.02 -0.61 -4.84 118.70 118.20 3gj2 s GLU 142 Ca 0.56 1.72 -0.12 0.00 0.02 0.00 0.00 54.97 57.15 3gj2 s GLU 142 Cb -0.34 -1.85 0.22 0.00 0.10 0.00 0.00 34.13 32.26 3gj2 s GLU 142 CO 0.35 -1.75 1.29 -0.47 0.02 0.00 0.00 175.26 174.70 3gj2 s TYR 143 N -2.02 3.82 0.09 1.61 5.04 -1.26 -4.84 117.35 119.79 3gj2 s TYR 143 Ca 0.73 -2.36 -0.08 0.00 -2.44 0.00 0.00 57.07 52.93 3gj2 s TYR 143 Cb -0.28 -4.11 0.03 0.00 0.35 0.00 0.00 41.96 37.94 3gj2 s TYR 143 CO 0.45 -1.21 0.41 0.27 -1.34 0.00 0.00 175.55 174.12 3gj2 n ASN 144 N 4.43 -0.77 -3.56 4.32 0.23 -1.26 -4.84 115.26 113.81 3gj2 n ASN 144 Ca 0.31 -1.43 -0.12 0.00 -0.53 0.00 0.00 54.58 52.81 3gj2 n ASN 144 Cb 0.41 1.25 -0.05 0.00 -2.08 0.00 0.00 39.78 39.32 3gj2 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3gj2 s TYR 145 N -4.76 -0.42 0.46 -2.53 5.04 -1.26 -4.87 117.35 109.00 3gj2 s TYR 145 Ca 0.09 0.69 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 3gj2 s TYR 145 Cb -0.01 0.45 -0.04 0.00 0.35 0.00 0.00 41.96 42.71 3gj2 s TYR 145 CO 0.03 -0.41 0.02 -0.80 -1.34 0.00 0.00 175.55 173.05 3gj2 s ASN 146 N -1.23 3.82 0.08 4.32 0.01 -1.26 -4.82 114.94 115.86 3gj2 s ASN 146 Ca -0.03 -1.55 -0.20 0.00 -0.71 0.00 0.00 52.86 50.37 3gj2 s ASN 146 Cb -0.00 0.18 -0.07 0.00 0.41 0.00 0.00 41.25 41.77 3gj2 s ASN 146 CO 0.02 -0.71 0.59 -0.94 -1.51 0.00 0.00 177.10 174.55 3gj2 s SER 147 N -3.78 7.10 0.15 -1.22 1.04 -1.26 -4.46 113.70 111.28 3gj2 s SER 147 Ca 0.19 1.31 0.03 0.00 0.48 0.00 0.00 55.95 57.95 3gj2 s SER 147 Cb 0.05 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 3gj2 s SER 147 CO 0.10 0.27 -0.04 -1.00 0.98 0.00 0.00 173.24 173.54 3gj2 s HIS 148 N -1.12 1.19 -0.14 5.02 3.76 -0.98 -4.98 115.29 118.04 3gj2 s HIS 148 Ca 0.30 -0.91 0.01 0.00 -0.15 0.00 0.00 55.06 54.30 3gj2 s HIS 148 Cb -0.20 -0.66 -0.00 0.00 1.11 0.00 0.00 32.58 32.83 3gj2 s HIS 148 CO 0.20 -0.10 -0.16 -0.80 -0.85 0.00 0.00 174.74 173.03 3gj2 s ASN 149 N -3.16 3.67 -0.39 1.40 0.01 -1.26 -0.86 114.94 114.35 3gj2 s ASN 149 Ca 0.20 -0.45 -0.11 0.00 -0.71 0.00 0.00 52.86 51.79 3gj2 s ASN 149 Cb 0.05 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 40.20 3gj2 s ASN 149 CO 0.02 0.12 0.23 -0.69 -1.51 0.00 0.00 177.10 175.26 3gj2 s VAL 150 N 0.62 4.57 -0.26 1.60 1.01 0.21 -4.85 120.40 123.30 3gj2 s VAL 150 Ca -0.09 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 3gj2 s VAL 150 Cb -0.16 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3gj2 s VAL 150 CO 0.03 -0.31 1.02 -0.31 0.00 0.00 0.00 175.10 175.52 3gj2 s TYR 151 N 1.54 3.27 -0.19 5.22 2.02 -1.26 -0.23 117.35 127.72 3gj2 s TYR 151 Ca 0.02 1.32 -0.09 0.00 -0.37 0.00 0.00 57.07 57.95 3gj2 s TYR 151 Cb -0.20 -3.38 -0.05 0.00 -0.40 0.00 0.00 41.96 37.93 3gj2 s TYR 151 CO 0.06 -0.57 0.11 0.42 -1.57 0.00 0.00 175.55 174.01 3gj2 s ILE 152 N 3.29 5.27 0.04 2.71 -1.09 0.55 -4.01 121.20 127.96 3gj2 s ILE 152 Ca 0.43 0.14 0.05 0.00 -2.23 0.00 0.00 60.65 59.04 3gj2 s ILE 152 Cb -0.14 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 3gj2 s ILE 152 CO 0.09 0.46 -0.14 0.42 -1.23 0.00 0.00 174.94 174.54 3gj2 s THR 153 N 0.27 1.13 0.78 2.92 -4.23 -0.36 -2.64 115.64 113.51 3gj2 s THR 153 Ca 0.07 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.42 3gj2 s THR 153 Cb -0.11 -1.03 0.06 0.00 1.34 0.00 0.00 72.50 72.76 3gj2 s THR 153 CO -0.01 -0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.27 3gj2 n ALA 154 N 1.86 0.13 -3.53 3.99 0.00 -1.25 -0.85 120.51 120.87 3gj2 n ALA 154 Ca -0.18 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.71 3gj2 n ALA 154 Cb 0.55 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 3gj2 n ALA 154 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gj2 s ASP 155 N -1.97 2.50 0.18 0.00 -1.08 -0.26 -4.64 116.67 111.40 3gj2 s ASP 155 Ca 0.75 -2.99 -0.13 0.00 -0.52 0.00 0.00 52.55 49.66 3gj2 s ASP 155 Cb -0.31 -0.70 0.17 0.00 -1.46 0.00 0.00 42.92 40.63 3gj2 s ASP 155 CO 0.49 -0.19 1.74 0.11 0.52 0.00 0.00 175.17 177.84 3gj2 h LYS 156 N 5.97 0.29 -0.74 4.34 6.56 -1.95 -1.53 116.57 129.51 3gj2 h LYS 156 Ca 0.18 -0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.82 3gj2 h LYS 156 Cb 0.90 -0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 32.40 3gj2 h LYS 156 CO 0.42 0.19 -0.45 -0.56 -2.06 0.00 0.00 179.45 176.99 3gj2 h GLN 157 N 0.30 -0.02 0.00 3.15 -0.00 -1.94 -1.15 115.11 115.45 3gj2 h GLN 157 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3gj2 h GLN 157 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 3gj2 h GLN 157 CO -0.27 -0.01 0.00 1.63 -0.00 0.00 0.00 178.83 180.18 3gj2 n LYS 158 N -4.73 0.19 -3.33 0.06 4.01 -0.96 -4.92 118.16 108.48 3gj2 n LYS 158 Ca 0.01 0.41 -0.19 0.00 -0.51 0.00 0.00 58.31 58.04 3gj2 n LYS 158 Cb 0.20 -1.86 0.06 0.00 -0.51 0.00 0.00 35.03 32.92 3gj2 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3gj2 n ASN 159 N -2.23 -5.40 0.00 4.39 5.15 -0.44 -4.76 115.26 111.98 3gj2 n ASN 159 Ca 0.02 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 3gj2 n ASN 159 Cb 0.23 -4.01 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 3gj2 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj2 n GLY 160 N -1.67 4.48 3.23 8.20 0.00 -0.94 -4.23 105.19 114.26 3gj2 n GLY 160 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 3gj2 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj2 s ILE 161 N 0.40 0.11 0.05 -0.61 -4.36 -0.87 -1.10 121.20 114.81 3gj2 s ILE 161 Ca 0.00 -1.58 -0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3gj2 s ILE 161 Cb 0.00 -1.80 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 3gj2 s ILE 161 CO 0.00 -0.48 -0.01 -1.59 0.24 0.00 0.00 174.94 173.09 3gj2 s LYS 162 N -3.97 0.60 0.04 0.37 0.00 -0.03 -1.70 119.74 115.04 3gj2 s LYS 162 Ca 0.17 -1.14 -0.18 0.00 0.00 0.00 0.00 55.97 54.81 3gj2 s LYS 162 Cb 0.05 0.21 0.04 0.00 0.00 0.00 0.00 37.83 38.13 3gj2 s LYS 162 CO -0.02 -0.12 0.41 0.00 0.00 0.00 0.00 175.35 175.63 3gj2 s ALA 163 N -3.69 -1.02 -0.04 0.59 0.00 -0.66 -1.22 121.76 115.73 3gj2 s ALA 163 Ca 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 3gj2 s ALA 163 Cb 0.06 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.52 3gj2 s ALA 163 CO -0.09 -0.44 0.16 0.54 0.00 0.00 0.00 175.76 175.93 3gj2 s ASN 164 N -1.95 -0.09 0.14 0.00 4.22 -1.26 0.76 114.94 116.76 3gj2 s ASN 164 Ca -0.06 0.10 -0.20 0.00 -2.14 0.00 0.00 52.86 50.57 3gj2 s ASN 164 Cb -0.01 0.29 0.05 0.00 1.28 0.00 0.00 41.25 42.87 3gj2 s ASN 164 CO -0.02 -0.21 0.50 0.72 -2.04 0.00 0.00 177.10 176.06 3gj2 s PHE 165 N -0.59 -0.38 -0.24 1.54 -0.12 -0.58 -4.47 117.98 113.14 3gj2 s PHE 165 Ca -0.07 0.12 -0.07 0.00 -0.05 0.00 0.00 56.93 56.86 3gj2 s PHE 165 Cb -0.04 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 3gj2 s PHE 165 CO 0.01 -0.78 0.05 -1.59 -0.05 0.00 0.00 175.22 172.87 3gj2 s LYS 166 N -3.77 3.63 -0.07 1.99 0.00 -1.26 -0.42 119.74 119.84 3gj2 s LYS 166 Ca 0.02 -0.49 -0.27 0.00 0.00 0.00 0.00 55.97 55.23 3gj2 s LYS 166 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 37.83 34.54 3gj2 s LYS 166 CO -0.12 -0.16 0.88 0.42 0.00 0.00 0.00 175.35 176.37 3gj2 s ILE 167 N 1.52 4.90 -0.38 3.79 -1.09 0.13 -4.85 121.20 125.22 3gj2 s ILE 167 Ca 0.06 1.81 -0.20 0.00 -2.23 0.00 0.00 60.65 60.09 3gj2 s ILE 167 Cb -0.15 -4.21 0.01 0.00 -1.58 0.00 0.00 42.46 36.53 3gj2 s ILE 167 CO 0.03 0.13 0.60 -0.13 -1.23 0.00 0.00 174.94 174.34 3gj2 s ARG 168 N 1.36 3.52 -0.39 2.79 0.52 -1.26 0.73 118.95 126.21 3gj2 s ARG 168 Ca 0.45 -0.17 -0.14 0.00 -0.52 0.00 0.00 55.73 55.35 3gj2 s ARG 168 Cb -0.19 -3.86 0.01 0.00 0.52 0.00 0.00 34.95 31.43 3gj2 s ARG 168 CO 0.20 -0.80 0.28 -1.01 0.02 0.00 0.00 175.30 174.00 3gj2 s HIS 169 N 2.64 3.24 0.30 -0.53 3.76 -0.18 -4.52 115.29 120.00 3gj2 s HIS 169 Ca 0.22 -0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 54.37 3gj2 s HIS 169 Cb -0.15 -2.55 -0.10 0.00 1.11 0.00 0.00 32.58 30.89 3gj2 s HIS 169 CO 0.16 -0.52 1.25 -0.80 -0.85 0.00 0.00 174.74 173.98 3gj2 s ASN 170 N 1.69 6.93 0.06 1.40 0.01 -1.26 -0.45 114.94 123.32 3gj2 s ASN 170 Ca 0.05 2.54 0.03 0.00 -0.71 0.00 0.00 52.86 54.77 3gj2 s ASN 170 Cb -0.18 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 3gj2 s ASN 170 CO 0.10 -0.42 0.03 -0.63 -1.51 0.00 0.00 177.10 174.67 3gj2 s ILE 171 N -1.00 4.26 0.59 0.60 -1.09 0.52 -1.58 121.20 123.51 3gj2 s ILE 171 Ca 0.49 -0.80 0.43 0.00 -2.23 0.00 0.00 60.65 58.54 3gj2 s ILE 171 Cb -0.37 -3.00 0.44 0.00 -1.58 0.00 0.00 42.46 37.94 3gj2 s ILE 171 CO 0.48 0.19 2.32 1.05 -1.23 0.00 0.00 174.94 177.75 3gj2 h GLU 172 N 3.63 0.00 -0.36 2.79 4.11 -1.52 -1.20 114.58 122.03 3gj2 h GLU 172 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3gj2 h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gj2 h GLU 172 CO 0.61 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.30 3gj2 n ASP 173 N -3.12 1.84 0.00 3.06 3.85 -1.26 -4.93 116.55 115.99 3gj2 n ASP 173 Ca -0.03 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.03 3gj2 n ASP 173 Cb 0.10 -0.24 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 3gj2 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gj2 n GLY 174 N 0.97 2.05 3.92 6.12 0.00 -0.45 -5.06 105.19 112.74 3gj2 n GLY 174 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3gj2 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gj2 s SER 175 N -2.36 4.67 -0.15 1.61 1.04 -1.26 -4.84 113.70 112.41 3gj2 s SER 175 Ca 0.00 0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.99 3gj2 s SER 175 Cb 0.00 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 65.01 3gj2 s SER 175 CO 0.00 -1.73 -0.16 -0.69 0.98 0.00 0.00 173.24 171.64 3gj2 s VAL 176 N -3.37 1.70 -0.32 5.02 1.01 -1.26 -0.36 120.40 122.82 3gj2 s VAL 176 Ca 0.61 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.64 3gj2 s VAL 176 Cb -0.11 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3gj2 s VAL 176 CO 0.46 0.48 0.75 -1.58 0.00 0.00 0.00 175.10 175.21 3gj2 s GLN 177 N 1.30 3.90 0.20 2.72 2.00 0.41 -4.91 119.66 125.28 3gj2 s GLN 177 Ca 0.02 0.46 -0.26 0.00 -2.00 0.00 0.00 55.36 53.58 3gj2 s GLN 177 Cb -0.13 -3.75 -0.08 0.00 0.80 0.00 0.00 33.01 29.84 3gj2 s GLN 177 CO -0.09 -0.70 0.82 -0.51 -0.50 0.00 0.00 175.29 174.32 3gj2 s LEU 178 N 2.91 4.56 -0.12 3.68 1.43 -1.26 -1.01 118.68 128.87 3gj2 s LEU 178 Ca 0.30 1.71 -0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3gj2 s LEU 178 Cb -0.14 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.64 3gj2 s LEU 178 CO 0.13 0.16 -0.09 0.00 0.23 0.00 0.00 176.35 176.78 3gj2 s ALA 179 N -1.24 1.48 -0.33 4.21 0.00 0.22 -2.19 121.76 123.92 3gj2 s ALA 179 Ca 0.39 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.54 3gj2 s ALA 179 Cb -0.23 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 3gj2 s ALA 179 CO 0.27 -0.42 0.39 0.34 0.00 0.00 0.00 175.76 176.34 3gj2 s ASP 180 N 1.65 6.22 -0.17 0.00 2.15 0.17 0.20 116.67 126.87 3gj2 s ASP 180 Ca 0.05 -0.09 -0.07 0.00 0.43 0.00 0.00 52.55 52.87 3gj2 s ASP 180 Cb -0.13 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 3gj2 s ASP 180 CO -0.09 -0.33 0.05 -1.00 -0.17 0.00 0.00 175.17 173.63 3gj2 s HIS 181 N 2.09 3.23 -0.22 -5.34 3.76 0.44 -1.26 115.29 117.99 3gj2 s HIS 181 Ca 0.14 0.05 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3gj2 s HIS 181 Cb -0.16 -2.05 0.02 0.00 1.11 0.00 0.00 32.58 31.50 3gj2 s HIS 181 CO 0.12 0.17 -0.11 0.71 -0.85 0.00 0.00 174.74 174.77 3gj2 s TYR 182 N 0.26 2.96 0.02 1.40 1.51 -0.57 -1.52 117.35 121.41 3gj2 s TYR 182 Ca 0.03 -1.54 0.08 0.00 -1.01 0.00 0.00 57.07 54.64 3gj2 s TYR 182 Cb -0.12 -2.01 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3gj2 s TYR 182 CO 0.01 -0.74 -0.24 -1.14 -1.11 0.00 0.00 175.55 172.33 3gj2 s GLN 183 N 1.32 1.76 -0.02 -0.62 0.74 0.23 -2.03 119.66 121.04 3gj2 s GLN 183 Ca 0.02 -0.98 -0.02 0.00 0.05 0.00 0.00 55.36 54.43 3gj2 s GLN 183 Cb -0.15 -1.84 0.01 0.00 1.10 0.00 0.00 33.01 32.13 3gj2 s GLN 183 CO -0.07 0.48 0.06 1.14 -0.55 0.00 0.00 175.29 176.35 3gj2 s GLN 184 N -0.98 0.06 0.04 1.67 -2.07 -0.10 -1.66 119.66 116.62 3gj2 s GLN 184 Ca 0.10 0.10 0.08 0.00 -1.82 0.00 0.00 55.36 53.82 3gj2 s GLN 184 Cb -0.09 -0.00 -0.03 0.00 -1.09 0.00 0.00 33.01 31.80 3gj2 s GLN 184 CO 0.01 -0.03 -0.23 -0.80 -1.32 0.00 0.00 175.29 172.92 3gj2 s ASN 185 N 0.17 2.76 -0.02 12.60 -0.87 -0.69 -0.61 114.94 128.28 3gj2 s ASN 185 Ca -0.01 -0.54 -0.01 0.00 -1.57 0.00 0.00 52.86 50.74 3gj2 s ASN 185 Cb -0.02 -0.25 0.02 0.00 -0.02 0.00 0.00 41.25 40.99 3gj2 s ASN 185 CO -0.00 0.21 0.05 -0.89 -2.57 0.00 0.00 177.10 173.89 3gj2 s THR 186 N -0.77 -0.04 0.76 1.60 2.01 -0.53 -2.06 115.64 116.62 3gj2 s THR 186 Ca 0.09 0.15 -0.14 0.00 0.31 0.00 0.00 61.69 62.10 3gj2 s THR 186 Cb -0.09 -0.09 0.06 0.00 0.01 0.00 0.00 72.50 72.38 3gj2 s THR 186 CO 0.02 0.06 1.17 -2.16 -0.69 0.00 0.00 174.62 173.02 3gj2 s PRO 187 N 0.77 2.03 -0.20 4.92 0.04 -1.26 -0.61 135.00 140.69 3gj2 s PRO 187 Ca -0.06 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 3gj2 s PRO 187 Cb -0.09 -1.83 -0.20 0.00 0.04 0.00 0.00 34.50 32.42 3gj2 s PRO 187 CO -0.03 -1.89 0.06 -0.89 0.04 0.00 0.00 177.00 174.30 3gj2 n ILE 188 N -3.03 1.60 -1.40 0.56 5.41 -0.89 -4.70 119.36 116.92 3gj2 n ILE 188 Ca 0.12 -0.40 -0.21 0.00 1.00 0.00 0.00 62.75 63.26 3gj2 n ILE 188 Cb 0.51 -1.79 0.16 0.00 -0.71 0.00 0.00 39.64 37.81 3gj2 n ILE 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gj2 n GLY 189 N 1.73 -1.84 0.31 7.39 0.00 -1.26 -4.96 105.19 106.57 3gj2 n GLY 189 Ca -0.39 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.14 3gj2 n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj2 n ASP 190 N -3.86 1.13 -4.19 1.61 8.00 -1.26 -5.00 116.55 112.97 3gj2 n ASP 190 Ca 0.12 -1.08 -0.29 0.00 0.71 0.00 0.00 54.79 54.25 3gj2 n ASP 190 Cb 0.42 0.07 0.25 0.00 -0.02 0.00 0.00 41.12 41.83 3gj2 n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gj2 n GLY 191 N 1.27 -2.54 3.83 0.44 0.00 -1.26 -5.04 105.19 101.89 3gj2 n GLY 191 Ca 0.15 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 3gj2 n GLY 191 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gj2 s PRO 192 N -4.24 3.84 -0.08 1.61 0.04 -1.26 -5.08 135.00 129.83 3gj2 s PRO 192 Ca 0.64 1.08 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 3gj2 s PRO 192 Cb -0.20 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.25 3gj2 s PRO 192 CO 0.63 -0.37 0.21 0.14 0.04 0.00 0.00 177.00 177.66 3gj2 s VAL 193 N -2.45 -0.01 -0.19 -0.36 -7.23 -1.26 -4.70 120.40 104.21 3gj2 s VAL 193 Ca 0.61 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 60.51 3gj2 s VAL 193 Cb -0.12 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.48 3gj2 s VAL 193 CO 0.28 0.01 1.62 -0.76 -0.31 0.00 0.00 175.10 175.94 3gj2 s LEU 194 N 0.25 3.97 -0.18 1.32 1.02 -1.26 -4.97 118.68 118.82 3gj2 s LEU 194 Ca -0.01 1.73 -0.23 0.00 0.02 0.00 0.00 54.13 55.64 3gj2 s LEU 194 Cb -0.03 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.63 3gj2 s LEU 194 CO -0.01 -1.20 0.71 -0.76 0.02 0.00 0.00 176.35 175.11 3gj2 s LEU 195 N 5.01 4.17 0.25 1.79 1.43 -1.26 -3.91 118.68 126.16 3gj2 s LEU 195 Ca 0.72 0.99 -0.09 0.00 -1.03 0.00 0.00 54.13 54.71 3gj2 s LEU 195 Cb -0.26 -3.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.86 3gj2 s LEU 195 CO 0.29 -0.31 0.57 -2.16 0.23 0.00 0.00 176.35 174.97 3gj2 s PRO 196 N 1.91 3.79 0.90 1.29 0.04 -1.26 -4.86 135.00 136.81 3gj2 s PRO 196 Ca 0.33 0.28 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 3gj2 s PRO 196 Cb -0.16 -2.62 0.13 0.00 0.04 0.00 0.00 34.50 31.89 3gj2 s PRO 196 CO 0.12 0.28 1.09 -0.51 0.04 0.00 0.00 177.00 178.02 3gj2 s ASP 197 N -2.49 3.35 0.43 6.66 1.01 -1.26 -3.92 116.67 120.45 3gj2 s ASP 197 Ca 0.48 1.69 -0.26 0.00 0.71 0.00 0.00 52.55 55.17 3gj2 s ASP 197 Cb -0.11 -2.34 -0.09 0.00 1.01 0.00 0.00 42.92 41.40 3gj2 s ASP 197 CO 0.22 -2.75 1.40 0.20 0.21 0.00 0.00 175.17 174.46 3gj2 s ASN 198 N -3.19 6.03 0.05 0.27 -0.87 -1.26 -4.85 114.94 111.13 3gj2 s ASN 198 Ca 0.64 2.86 -0.09 0.00 -1.57 0.00 0.00 52.86 54.70 3gj2 s ASN 198 Cb -0.19 -2.65 0.03 0.00 -0.02 0.00 0.00 41.25 38.42 3gj2 s ASN 198 CO 0.58 -1.06 0.45 0.00 -2.57 0.00 0.00 177.10 174.49 3gj2 n HIS 199 N -0.05 -0.72 -3.87 2.20 1.44 -1.08 -4.75 115.22 108.39 3gj2 n HIS 199 Ca 0.04 -0.46 -0.10 0.00 -2.01 0.00 0.00 57.72 55.20 3gj2 n HIS 199 Cb 0.42 0.22 -0.09 0.00 0.12 0.00 0.00 29.99 30.66 3gj2 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gj2 s TYR 200 N -3.96 0.11 -0.28 -1.40 -0.85 -1.01 -0.33 117.35 109.63 3gj2 s TYR 200 Ca 0.10 -0.37 -0.11 0.00 -0.52 0.00 0.00 57.07 56.17 3gj2 s TYR 200 Cb -0.01 -0.07 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3gj2 s TYR 200 CO 0.02 -0.41 0.21 -0.51 -1.52 0.00 0.00 175.55 173.34 3gj2 s LEU 201 N -2.13 4.02 -0.40 -3.49 1.43 0.68 -1.19 118.68 117.61 3gj2 s LEU 201 Ca -0.05 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 3gj2 s LEU 201 Cb -0.01 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3gj2 s LEU 201 CO -0.04 -0.06 1.21 -0.55 0.23 0.00 0.00 176.35 177.13 3gj2 s SER 202 N 1.73 6.64 -0.01 2.29 0.15 -0.27 -0.62 113.70 123.61 3gj2 s SER 202 Ca 0.08 0.78 -0.01 0.00 0.70 0.00 0.00 55.95 57.50 3gj2 s SER 202 Cb -0.16 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 3gj2 s SER 202 CO 0.11 -1.18 0.08 -1.00 1.20 0.00 0.00 173.24 172.44 3gj2 s HIS 203 N 4.47 3.29 -0.07 3.44 3.76 -0.04 -1.75 115.29 128.39 3gj2 s HIS 203 Ca 0.51 0.22 -0.12 0.00 -0.15 0.00 0.00 55.06 55.52 3gj2 s HIS 203 Cb -0.11 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.86 3gj2 s HIS 203 CO 0.27 0.55 0.29 -0.65 -0.85 0.00 0.00 174.74 174.36 3gj2 s GLN 204 N -1.67 0.47 -0.02 1.40 -0.21 -0.60 -2.32 119.66 116.71 3gj2 s GLN 204 Ca 0.22 0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.55 3gj2 s GLN 204 Cb -0.12 0.22 0.04 0.00 1.00 0.00 0.00 33.01 34.15 3gj2 s GLN 204 CO 0.13 -0.09 0.45 -1.12 -2.12 0.00 0.00 175.29 172.54 3gj2 s SER 205 N -0.45 -0.36 -0.13 5.90 0.01 -1.26 -1.53 113.70 115.87 3gj2 s SER 205 Ca -0.06 0.28 -0.07 0.00 1.31 0.00 0.00 55.95 57.42 3gj2 s SER 205 Cb -0.04 0.41 0.05 0.00 0.21 0.00 0.00 66.02 66.65 3gj2 s SER 205 CO 0.02 -0.54 0.31 0.00 0.41 0.00 0.00 173.24 173.45 3gj2 s ALA 206 N -1.46 -0.76 0.01 1.44 0.00 -0.10 -4.60 121.76 116.29 3gj2 s ALA 206 Ca -0.11 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.08 3gj2 s ALA 206 Cb -0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 3gj2 s ALA 206 CO 0.05 -0.29 -0.04 -0.51 0.00 0.00 0.00 175.76 174.96 3gj2 s LEU 207 N 1.49 3.28 0.00 0.00 1.43 -1.26 -1.27 118.68 122.35 3gj2 s LEU 207 Ca -0.08 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3gj2 s LEU 207 Cb -0.10 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 3gj2 s LEU 207 CO -0.10 0.28 0.30 -0.24 0.23 0.00 0.00 176.35 176.82 3gj2 n SER 208 N 1.45 -0.83 -4.08 2.29 2.88 0.10 -4.88 113.62 110.55 3gj2 n SER 208 Ca -0.15 -2.39 -0.11 0.00 -1.33 0.00 0.00 58.87 54.89 3gj2 n SER 208 Cb 0.53 1.62 -0.11 0.00 -0.75 0.00 0.00 64.21 65.50 3gj2 n SER 208 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gj2 s LYS 209 N -2.66 0.58 -0.36 -1.46 -0.14 -1.26 -2.09 119.74 112.35 3gj2 s LYS 209 Ca 0.22 -0.91 -0.22 0.00 -1.36 0.00 0.00 55.97 53.70 3gj2 s LYS 209 Cb -0.00 -0.18 0.01 0.00 -1.68 0.00 0.00 37.83 35.97 3gj2 s LYS 209 CO 0.16 0.01 0.71 0.34 -0.76 0.00 0.00 175.35 175.81 3gj2 s ASP 210 N -2.02 6.49 0.64 2.83 -1.08 -1.26 -4.94 116.67 117.32 3gj2 s ASP 210 Ca -0.04 0.26 0.35 0.00 -0.52 0.00 0.00 52.55 52.60 3gj2 s ASP 210 Cb -0.05 -2.36 1.98 0.00 -1.46 0.00 0.00 42.92 41.02 3gj2 s ASP 210 CO -0.02 -0.66 2.19 -0.65 0.52 0.00 0.00 175.17 176.55 3gj2 h PRO 211 N 8.46 0.00 -0.68 4.34 0.11 -2.04 -1.95 132.00 140.24 3gj2 h PRO 211 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gj2 h PRO 211 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gj2 h PRO 211 CO 0.87 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 3gj2 n ASN 212 N -3.34 3.90 -4.48 -2.05 3.02 -1.26 -4.87 115.26 106.17 3gj2 n ASN 212 Ca -0.01 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.18 3gj2 n ASN 212 Cb 0.21 -0.45 -0.12 0.00 -0.61 0.00 0.00 39.78 38.80 3gj2 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gj2 s GLU 213 N -1.09 3.69 0.07 3.52 2.56 -0.74 -4.99 118.70 121.73 3gj2 s GLU 213 Ca 0.48 -0.47 0.22 0.00 0.00 0.00 0.00 54.97 55.20 3gj2 s GLU 213 Cb 0.25 -3.23 -0.09 0.00 2.00 0.00 0.00 34.13 33.07 3gj2 s GLU 213 CO 0.34 -0.05 0.87 1.63 -0.56 0.00 0.00 175.26 177.48 3gj2 n LYS 214 N 4.48 0.49 -1.28 4.30 4.01 -1.26 -4.90 118.16 124.01 3gj2 n LYS 214 Ca -0.16 -0.02 -0.32 0.00 -0.51 0.00 0.00 58.31 57.29 3gj2 n LYS 214 Cb 0.52 -1.64 0.10 0.00 -0.51 0.00 0.00 35.03 33.49 3gj2 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gj2 s ARG 215 N -3.34 2.02 -0.02 1.97 0.52 -1.26 -4.95 118.95 113.88 3gj2 s ARG 215 Ca -0.01 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.40 3gj2 s ARG 215 Cb 0.13 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.72 3gj2 s ARG 215 CO 0.83 -1.87 1.02 0.34 0.02 0.00 0.00 175.30 175.64 3gj2 s ASP 216 N -2.60 7.30 0.26 0.23 2.15 -1.26 -4.97 116.67 117.78 3gj2 s ASP 216 Ca 0.68 1.67 -0.21 0.00 0.43 0.00 0.00 52.55 55.13 3gj2 s ASP 216 Cb -0.23 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.85 3gj2 s ASP 216 CO 0.50 -0.34 0.69 -1.38 -0.17 0.00 0.00 175.17 174.47 3gj2 s HIS 217 N 1.31 -0.20 -0.09 -5.34 -3.43 -1.26 -1.72 115.29 104.55 3gj2 s HIS 217 Ca 0.52 -0.22 -0.05 0.00 -0.80 0.00 0.00 55.06 54.51 3gj2 s HIS 217 Cb -0.21 0.66 0.04 0.00 -1.43 0.00 0.00 32.58 31.64 3gj2 s HIS 217 CO 0.25 -1.18 0.22 1.41 -2.00 0.00 0.00 174.74 173.45 3gj2 s MET 218 N -3.90 0.19 -0.24 -0.38 1.75 -0.50 -4.96 119.30 111.26 3gj2 s MET 218 Ca 0.10 0.44 -0.11 0.00 -1.25 0.00 0.00 55.69 54.87 3gj2 s MET 218 Cb -0.05 -0.07 -0.05 0.00 2.84 0.00 0.00 34.83 37.50 3gj2 s MET 218 CO 0.05 -0.13 0.19 0.08 -0.65 0.00 0.00 175.02 174.56 3gj2 s VAL 219 N 0.96 5.34 -0.11 10.11 1.01 -0.89 0.55 120.40 137.37 3gj2 s VAL 219 Ca -0.07 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3gj2 s VAL 219 Cb -0.08 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3gj2 s VAL 219 CO -0.06 0.33 -0.17 -0.22 0.00 0.00 0.00 175.10 174.98 3gj2 s LEU 220 N 1.11 1.81 -0.11 3.92 2.96 -0.18 0.01 118.68 128.21 3gj2 s LEU 220 Ca 0.09 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3gj2 s LEU 220 Cb -0.14 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 3gj2 s LEU 220 CO 0.05 0.04 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.22 3gj2 s LEU 221 N 0.84 2.67 0.04 -0.68 1.02 -0.40 -0.85 118.68 121.32 3gj2 s LEU 221 Ca -0.09 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 53.80 3gj2 s LEU 221 Cb -0.15 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.45 3gj2 s LEU 221 CO 0.00 0.21 -0.14 -1.61 0.02 0.00 0.00 176.35 174.84 3gj2 s GLU 222 N 0.06 0.90 -0.09 1.70 8.01 -0.64 -0.92 118.70 127.72 3gj2 s GLU 222 Ca -0.06 -0.77 0.02 0.00 0.01 0.00 0.00 54.97 54.17 3gj2 s GLU 222 Cb -0.15 -0.90 0.01 0.00 -4.31 0.00 0.00 34.13 28.78 3gj2 s GLU 222 CO 0.05 0.22 -0.16 -0.06 0.01 0.00 0.00 175.26 175.32 3gj2 s PHE 223 N -0.91 1.92 -0.08 1.61 0.08 -0.58 -1.02 117.98 119.00 3gj2 s PHE 223 Ca 0.01 -0.83 -0.02 0.00 0.12 0.00 0.00 56.93 56.21 3gj2 s PHE 223 Cb -0.08 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 3gj2 s PHE 223 CO 0.01 -0.40 0.02 0.08 -0.10 0.00 0.00 175.22 174.83 3gj2 s VAL 224 N 0.76 0.30 -0.03 -0.44 1.01 0.05 -1.56 120.40 120.50 3gj2 s VAL 224 Ca -0.11 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.01 3gj2 s VAL 224 Cb -0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3gj2 s VAL 224 CO 0.02 0.19 -0.18 -0.89 0.00 0.00 0.00 175.10 174.23 3gj2 s THR 225 N 2.00 1.48 0.29 3.92 2.01 -0.72 -0.92 115.64 123.69 3gj2 s THR 225 Ca 0.04 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 3gj2 s THR 225 Cb -0.13 -1.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.04 3gj2 s THR 225 CO -0.05 0.42 1.19 0.00 -0.69 0.00 0.00 174.62 175.49 3gj2 s ALA 226 N -0.22 3.45 0.16 7.40 0.00 0.31 -1.12 121.76 131.74 3gj2 s ALA 226 Ca 0.02 1.04 -0.00 0.00 0.00 0.00 0.00 51.96 53.02 3gj2 s ALA 226 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3gj2 s ALA 226 CO 0.01 -0.36 0.21 0.00 0.00 0.00 0.00 175.76 175.62 3gj2 n ALA 227 N 1.18 -0.11 -1.74 0.00 0.00 -0.33 -4.54 120.51 114.96 3gj2 n ALA 227 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3gj2 n ALA 227 Cb 0.44 0.61 0.00 0.00 0.00 0.00 0.00 19.45 20.49 3gj2 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj2 n GLY 228 N -0.27 0.64 0.00 0.00 0.00 -1.26 -2.41 105.19 101.90 3gj2 n GLY 228 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3gj2 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71