#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj2 h MET 1 N 0.00 0.00 -3.16 -1.46 2.07 -1.99 -3.48 114.93 106.91 3gj2 h MET 1 Ca 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.58 3gj2 h MET 1 Cb 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 31.60 29.60 3gj2 h MET 1 CO 0.00 0.00 0.02 -1.54 1.07 0.00 0.00 176.91 176.46 3gj2 s SER 2 N -4.58 -0.36 0.29 1.22 1.04 -1.26 -4.99 113.70 105.05 3gj2 s SER 2 Ca 0.04 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.36 3gj2 s SER 2 Cb 0.12 0.51 0.43 0.00 0.10 0.00 0.00 66.02 67.18 3gj2 s SER 2 CO 0.75 -0.85 1.75 0.11 0.98 0.00 0.00 173.24 175.97 3gj2 h LYS 3 N 2.37 0.52 -0.67 4.02 6.56 -1.91 -2.96 116.57 124.50 3gj2 h LYS 3 Ca -0.33 -0.18 -0.00 0.00 -1.06 0.00 0.00 60.65 59.08 3gj2 h LYS 3 Cb 1.26 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.85 3gj2 h LYS 3 CO 0.43 0.69 0.41 0.78 -2.06 0.00 0.00 179.45 179.71 3gj2 h GLY 4 N 0.98 0.96 1.51 3.86 0.00 -1.74 -2.33 103.07 106.31 3gj2 h GLY 4 Ca 0.08 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.07 3gj2 h GLY 4 CO 0.04 0.37 0.22 -2.09 0.00 0.00 0.00 176.54 175.08 3gj2 h GLU 5 N 0.92 0.23 0.00 4.80 4.81 -1.62 -1.74 114.58 121.97 3gj2 h GLU 5 Ca 0.24 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3gj2 h GLU 5 Cb -0.06 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3gj2 h GLU 5 CO -0.05 0.15 0.00 0.93 -0.73 0.00 0.00 179.01 179.32 3gj2 h GLU 6 N 0.24 0.00 0.00 1.92 5.08 -1.53 -2.53 114.58 117.76 3gj2 h GLU 6 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3gj2 h GLU 6 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3gj2 h GLU 6 CO -0.03 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.26 3gj2 n LEU 7 N -2.96 0.00 -0.32 1.33 4.77 -0.65 -3.82 117.00 115.35 3gj2 n LEU 7 Ca 0.00 0.02 0.06 0.00 -0.03 0.00 0.00 56.01 56.06 3gj2 n LEU 7 Cb 0.25 -0.02 0.13 0.00 -2.33 0.00 0.00 43.42 41.44 3gj2 n LEU 7 CO 0.24 -0.00 0.59 0.49 -1.33 0.00 0.00 177.39 177.38 3gj2 n PHE 8 N -1.02 0.28 0.37 -1.77 3.72 -0.95 -4.67 117.46 113.41 3gj2 n PHE 8 Ca 0.23 -0.75 0.14 0.00 -0.05 0.00 0.00 57.45 57.02 3gj2 n PHE 8 Cb 0.12 -0.14 0.46 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.72 0.00 -2.93 4.37 1.35 -1.73 -3.37 112.91 111.33 3gj2 h THR 9 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3gj2 h THR 9 Cb 0.91 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3gj2 h THR 9 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3gj2 n GLY 10 N 0.55 5.62 3.71 5.82 0.00 -1.26 -4.78 105.19 114.85 3gj2 n GLY 10 Ca 0.03 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.43 4.61 -0.10 1.61 1.01 -1.26 -4.44 120.40 121.39 3gj2 s VAL 11 Ca 0.00 1.93 0.03 0.00 0.00 0.00 0.00 61.98 63.94 3gj2 s VAL 11 Cb 0.00 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3gj2 s VAL 11 CO 0.00 0.18 -0.19 -0.69 0.00 0.00 0.00 175.10 174.40 3gj2 s VAL 12 N 0.80 1.76 0.60 2.92 1.01 0.26 -4.95 120.40 122.80 3gj2 s VAL 12 Ca 0.52 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 3gj2 s VAL 12 Cb -0.23 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3gj2 s VAL 12 CO 0.29 0.49 1.14 -2.84 0.00 0.00 0.00 175.10 174.18 3gj2 s PRO 13 N 0.64 3.02 0.05 2.72 0.02 -1.26 -0.98 135.00 139.21 3gj2 s PRO 13 Ca -0.13 1.59 0.04 0.00 0.02 0.00 0.00 61.00 62.52 3gj2 s PRO 13 Cb -0.16 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 3gj2 s PRO 13 CO 0.03 -1.11 -0.12 0.42 -0.33 0.00 0.00 177.00 175.89 3gj2 s ILE 14 N -1.93 0.93 -0.01 2.83 1.01 0.36 -1.52 121.20 122.86 3gj2 s ILE 14 Ca 0.72 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 60.31 3gj2 s ILE 14 Cb -0.24 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 3gj2 s ILE 14 CO 0.34 -0.17 -0.09 -0.22 0.00 0.00 0.00 174.94 174.81 3gj2 s LEU 15 N -1.40 1.95 -0.02 2.97 2.96 -0.28 -2.00 118.68 122.86 3gj2 s LEU 15 Ca -0.02 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3gj2 s LEU 15 Cb -0.09 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 3gj2 s LEU 15 CO 0.01 0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.30 3gj2 s VAL 16 N -0.09 1.16 -0.02 1.68 1.01 -0.26 -0.75 120.40 123.12 3gj2 s VAL 16 Ca 0.02 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.39 3gj2 s VAL 16 Cb -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.38 3gj2 s VAL 16 CO -0.00 0.33 -0.02 -1.61 0.00 0.00 0.00 175.10 173.80 3gj2 s GLU 17 N -0.25 0.40 -0.04 2.72 0.41 -0.38 -0.57 118.70 121.00 3gj2 s GLU 17 Ca 0.04 -0.02 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 3gj2 s GLU 17 Cb -0.07 -0.50 0.02 0.00 -1.78 0.00 0.00 34.13 31.80 3gj2 s GLU 17 CO -0.00 -0.07 -0.05 -1.17 -0.49 0.00 0.00 175.26 173.48 3gj2 s LEU 18 N 0.70 1.50 -0.11 1.80 0.20 0.17 -0.29 118.68 122.65 3gj2 s LEU 18 Ca -0.07 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.62 3gj2 s LEU 18 Cb -0.11 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.19 3gj2 s LEU 18 CO -0.01 -0.02 -0.14 -1.81 -0.29 0.00 0.00 176.35 174.08 3gj2 s ASP 19 N 0.65 3.93 0.11 3.68 1.01 -0.55 -0.96 116.67 124.54 3gj2 s ASP 19 Ca -0.09 -0.32 0.04 0.00 0.71 0.00 0.00 52.55 52.88 3gj2 s ASP 19 Cb -0.12 -1.44 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 3gj2 s ASP 19 CO 0.00 0.20 -0.10 -0.83 0.21 0.00 0.00 175.17 174.66 3gj2 s GLY 20 N 0.14 0.90 -0.18 0.21 0.00 -0.28 -0.29 107.32 107.83 3gj2 s GLY 20 Ca -0.07 -1.31 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 3gj2 s GLY 20 CO 0.05 -1.39 0.26 -0.35 0.00 0.00 0.00 173.10 171.66 3gj2 s ASP 21 N -2.76 0.86 -0.21 1.64 -1.08 -0.57 -1.45 116.67 113.10 3gj2 s ASP 21 Ca 0.10 0.13 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 3gj2 s ASP 21 Cb 0.00 0.59 0.05 0.00 -1.46 0.00 0.00 42.92 42.10 3gj2 s ASP 21 CO -0.01 -0.29 -0.08 -0.69 0.52 0.00 0.00 175.17 174.62 3gj2 s VAL 22 N 2.39 1.59 -1.36 1.11 1.01 -0.74 0.85 120.40 125.25 3gj2 s VAL 22 Ca 0.06 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 3gj2 s VAL 22 Cb -0.14 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.54 3gj2 s VAL 22 CO -0.11 0.07 0.45 0.59 0.00 0.00 0.00 175.10 176.10 3gj2 n ASN 23 N 4.68 -4.59 0.00 3.32 4.13 0.03 -0.58 115.26 122.26 3gj2 n ASN 23 Ca -0.14 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.86 3gj2 n ASN 23 Cb 0.46 -3.78 0.00 0.00 -1.54 0.00 0.00 39.78 34.92 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 -1.24 1.89 3.64 7.41 0.00 -1.26 -5.01 105.19 110.62 3gj2 n GLY 24 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.69 3.14 0.09 1.61 3.76 0.26 -5.01 115.29 116.45 3gj2 s HIS 25 Ca 0.00 1.16 -0.15 0.00 -0.15 0.00 0.00 55.06 55.91 3gj2 s HIS 25 Cb 0.00 -3.70 -0.07 0.00 1.11 0.00 0.00 32.58 29.93 3gj2 s HIS 25 CO 0.00 -0.78 0.52 0.15 -0.85 0.00 0.00 174.74 173.78 3gj2 s LYS 26 N 3.65 4.01 0.21 1.40 1.02 -1.26 -1.78 119.74 126.99 3gj2 s LYS 26 Ca 0.45 0.52 -0.16 0.00 0.02 0.00 0.00 55.97 56.80 3gj2 s LYS 26 Cb -0.12 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3gj2 s LYS 26 CO 0.16 0.57 0.52 -0.59 -0.92 0.00 0.00 175.35 175.08 3gj2 s PHE 27 N -1.29 -0.01 0.02 3.18 -0.12 -0.53 -4.98 117.98 114.25 3gj2 s PHE 27 Ca 0.32 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 3gj2 s PHE 27 Cb -0.16 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.56 3gj2 s PHE 27 CO 0.18 -0.94 -0.05 -1.12 -0.05 0.00 0.00 175.22 173.24 3gj2 s SER 28 N -2.91 0.47 -0.01 1.98 0.01 -1.26 -1.12 113.70 110.85 3gj2 s SER 28 Ca 0.12 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3gj2 s SER 28 Cb -0.01 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3gj2 s SER 28 CO 0.00 -0.21 -0.04 -0.69 0.41 0.00 0.00 173.24 172.71 3gj2 s VAL 29 N -1.20 0.37 -0.06 3.43 1.01 -0.13 -1.65 120.40 122.16 3gj2 s VAL 29 Ca -0.11 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3gj2 s VAL 29 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3gj2 s VAL 29 CO -0.00 0.12 -0.19 -0.44 0.00 0.00 0.00 175.10 174.59 3gj2 s SER 30 N 0.15 3.55 0.07 3.32 0.01 -0.78 -0.66 113.70 119.37 3gj2 s SER 30 Ca -0.01 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.91 3gj2 s SER 30 Cb -0.05 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.24 3gj2 s SER 30 CO -0.00 0.28 -0.08 -0.83 0.41 0.00 0.00 173.24 173.01 3gj2 s GLY 31 N -0.33 0.69 0.05 3.44 0.00 0.27 -0.34 107.32 111.10 3gj2 s GLY 31 Ca 0.02 -1.06 -0.10 0.00 0.00 0.00 0.00 44.72 43.57 3gj2 s GLY 31 CO 0.02 -1.14 0.22 -1.83 0.00 0.00 0.00 173.10 170.38 3gj2 s GLU 32 N -2.58 0.76 0.00 2.90 4.04 -0.41 -1.10 118.70 122.31 3gj2 s GLU 32 Ca 0.01 -0.68 0.00 0.00 0.04 0.00 0.00 54.97 54.34 3gj2 s GLU 32 Cb -0.04 0.32 0.00 0.00 0.02 0.00 0.00 34.13 34.43 3gj2 s GLU 32 CO -0.01 -0.23 0.00 0.41 -1.84 0.00 0.00 175.26 173.59 3gj2 n GLY 33 N 0.47 -0.69 3.51 -3.83 0.00 -0.85 -1.42 105.19 102.38 3gj2 n GLY 33 Ca -0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.84 1.37 0.02 1.61 -1.05 -0.32 -0.49 118.70 118.99 3gj2 s GLU 34 Ca 0.00 -0.70 0.04 0.00 -0.15 0.00 0.00 54.97 54.16 3gj2 s GLU 34 Cb 0.00 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.23 3gj2 s GLU 34 CO 0.00 -0.59 -0.11 0.20 0.95 0.00 0.00 175.26 175.71 3gj2 s GLY 35 N -2.82 0.59 -0.43 -3.83 0.00 -0.15 -1.38 107.32 99.30 3gj2 s GLY 35 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3gj2 s GLY 35 CO -0.07 -0.59 0.22 -0.35 0.00 0.00 0.00 173.10 172.31 3gj2 s ASP 36 N -0.78 3.79 0.61 1.64 -1.08 0.49 -0.57 116.67 120.78 3gj2 s ASP 36 Ca 0.01 -2.53 0.40 0.00 -0.52 0.00 0.00 52.55 49.91 3gj2 s ASP 36 Cb -0.06 -1.09 1.99 0.00 -1.46 0.00 0.00 42.92 42.30 3gj2 s ASP 36 CO 0.00 -0.29 2.21 0.00 0.52 0.00 0.00 175.17 177.61 3gj2 h ALA 37 N 6.90 1.00 -0.33 3.66 0.00 -1.73 -0.94 119.26 127.82 3gj2 h ALA 37 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gj2 h ALA 37 Cb 0.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3gj2 h ALA 37 CO 0.50 0.00 0.22 1.15 0.00 0.00 0.00 179.25 181.12 3gj2 h THR 38 N 0.00 1.08 0.00 0.00 2.02 -1.87 -2.66 112.91 111.48 3gj2 h THR 38 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3gj2 h THR 38 Cb 0.21 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3gj2 h THR 38 CO 0.00 0.08 -1.28 -1.22 0.37 0.00 0.00 175.52 173.47 3gj2 n TYR 39 N -4.49 0.01 -1.58 3.16 4.01 -0.50 -4.97 117.16 112.80 3gj2 n TYR 39 Ca 0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.70 3gj2 n TYR 39 Cb 0.07 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.43 0.55 3.57 2.72 0.00 -0.48 -4.70 105.19 108.28 3gj2 n GLY 40 Ca 0.02 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.30 3.08 -0.02 1.61 2.20 -0.58 -1.00 119.74 121.73 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 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 3gj2 s LYS 41 CO 0.00 0.53 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.85 3gj2 s LEU 42 N -0.44 2.01 -0.16 5.43 1.43 -0.46 -0.38 118.68 126.11 3gj2 s LEU 42 Ca 0.07 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3gj2 s LEU 42 Cb -0.12 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.29 3gj2 s LEU 42 CO 0.02 0.19 -0.07 -0.89 0.23 0.00 0.00 176.35 175.83 3gj2 s THR 43 N -0.31 1.23 0.01 5.49 2.01 -0.48 -1.44 115.64 122.16 3gj2 s THR 43 Ca 0.05 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.40 3gj2 s THR 43 Cb -0.07 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.08 3gj2 s THR 43 CO -0.00 0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.33 3gj2 s LEU 44 N 1.59 2.14 -0.04 4.42 1.43 -0.10 -1.18 118.68 126.93 3gj2 s LEU 44 Ca 0.01 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3gj2 s LEU 44 Cb -0.15 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 3gj2 s LEU 44 CO -0.08 -0.14 -0.24 -0.75 0.23 0.00 0.00 176.35 175.37 3gj2 s LYS 45 N -0.85 2.30 -0.05 1.70 2.20 -0.51 -0.70 119.74 123.83 3gj2 s LYS 45 Ca -0.07 -0.87 0.06 0.00 -0.36 0.00 0.00 55.97 54.73 3gj2 s LYS 45 Cb -0.06 -2.02 -0.02 0.00 -1.51 0.00 0.00 37.83 34.22 3gj2 s LYS 45 CO -0.00 0.41 -0.21 -0.06 -0.36 0.00 0.00 175.35 175.13 3gj2 s PHE 46 N -0.27 2.50 -0.12 4.03 0.08 0.78 -1.28 117.98 123.70 3gj2 s PHE 46 Ca 0.00 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.66 3gj2 s PHE 46 Cb -0.12 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3gj2 s PHE 46 CO 0.02 -0.02 -0.23 0.42 -0.10 0.00 0.00 175.22 175.31 3gj2 s ILE 47 N -0.48 2.11 -0.44 0.64 1.01 0.53 -1.16 121.20 123.42 3gj2 s ILE 47 Ca 0.06 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 3gj2 s ILE 47 Cb -0.11 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.54 3gj2 s ILE 47 CO 0.01 0.55 1.45 0.00 0.00 0.00 0.00 174.94 176.96 3gj2 h THR 49 N 6.50 0.00 -0.33 0.00 1.35 -1.65 -3.13 112.91 115.65 3gj2 h THR 49 Ca -0.28 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3gj2 h THR 49 Cb 1.11 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3gj2 h THR 49 CO 1.10 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.72 3gj2 n THR 50 N -2.34 0.43 0.00 6.82 -2.24 -1.25 -4.99 114.28 110.71 3gj2 n THR 50 Ca 0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3gj2 n THR 50 Cb 0.40 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.30 0.18 3.79 3.38 0.00 -1.18 -4.98 105.19 107.68 3gj2 n GLY 51 Ca 0.17 -1.30 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 4.13 0.17 1.61 -0.14 -1.26 -4.40 119.74 119.85 3gj2 s LYS 52 Ca 0.00 0.52 -0.31 0.00 -1.36 0.00 0.00 55.97 54.82 3gj2 s LYS 52 Cb 0.00 -3.30 -0.09 0.00 -1.68 0.00 0.00 37.83 32.76 3gj2 s LYS 52 CO 0.00 0.50 1.44 -1.17 -0.76 0.00 0.00 175.35 175.36 3gj2 s LEU 53 N -0.53 4.38 0.04 3.17 2.96 -1.26 -4.90 118.68 122.53 3gj2 s LEU 53 Ca 0.26 2.49 0.26 0.00 -0.22 0.00 0.00 54.13 56.92 3gj2 s LEU 53 Cb -0.17 -3.60 1.07 0.00 0.50 0.00 0.00 46.19 43.99 3gj2 s LEU 53 CO 0.14 -0.70 1.83 -0.81 -1.32 0.00 0.00 176.35 175.49 3gj2 n PRO 54 N 3.46 0.04 -4.36 0.98 -0.04 -1.26 -4.78 135.00 129.04 3gj2 n PRO 54 Ca 0.11 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 3gj2 n PRO 54 Cb 0.41 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.02 1.66 0.30 0.52 -7.23 -1.26 -4.81 120.40 106.56 3gj2 s VAL 55 Ca 0.12 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 3gj2 s VAL 55 Cb 0.16 -2.13 -0.10 0.00 0.56 0.00 0.00 36.38 34.87 3gj2 s VAL 55 CO 0.49 -0.53 1.37 -2.84 -0.31 0.00 0.00 175.10 173.28 3gj2 s PRO 56 N -3.68 4.31 0.23 4.82 0.02 -1.26 -4.93 135.00 134.51 3gj2 s PRO 56 Ca 0.24 2.27 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 3gj2 s PRO 56 Cb 0.01 -3.08 0.37 0.00 0.02 0.00 0.00 34.50 31.82 3gj2 s PRO 56 CO 0.08 -0.30 1.64 -1.49 -0.33 0.00 0.00 177.00 176.60 3gj2 h TRP 57 N 3.95 -0.09 -0.02 6.54 4.06 -1.97 -1.91 115.95 126.50 3gj2 h TRP 57 Ca -0.48 0.05 0.01 0.00 2.06 0.00 0.00 58.89 60.53 3gj2 h TRP 57 Cb 1.22 0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 29.53 3gj2 h TRP 57 CO 0.57 -0.23 0.19 -1.35 -3.56 0.00 0.00 178.44 174.07 3gj2 h PRO 58 N 0.09 0.00 0.00 0.49 0.11 -1.89 -1.23 132.00 129.57 3gj2 h PRO 58 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3gj2 h PRO 58 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3gj2 h PRO 58 CO -0.63 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.41 3gj2 n THR 59 N -3.04 0.75 0.92 -1.15 -2.24 -0.72 -2.46 114.28 106.34 3gj2 n THR 59 Ca -0.02 0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.92 3gj2 n THR 59 Cb 0.25 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.49 3gj2 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gj2 n LEU 60 N -2.29 1.87 -0.01 3.22 4.77 -0.46 -4.65 117.00 119.44 3gj2 n LEU 60 Ca 0.03 -0.75 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 3gj2 n LEU 60 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 3gj2 n LEU 60 CO 0.23 0.35 0.91 0.58 -1.33 0.00 0.00 177.39 178.14 3gj2 h VAL 61 N 2.13 1.05 0.00 4.08 2.07 -1.54 -1.35 116.25 122.70 3gj2 h VAL 61 Ca 0.00 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3gj2 h VAL 61 Cb 0.69 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3gj2 h VAL 61 CO 0.00 0.05 -0.20 0.71 0.02 0.00 0.00 177.57 178.15 3gj2 h THR 62 N 0.15 1.10 -0.04 2.57 1.35 -1.82 -3.06 112.91 113.14 3gj2 h THR 62 Ca 0.05 -0.69 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 3gj2 h THR 62 Cb 0.01 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3gj2 h THR 62 CO -0.01 0.19 -0.11 0.74 -0.25 0.00 0.00 175.52 176.08 3gj2 h THR 63 N 0.00 1.44 0.00 6.82 2.02 -1.72 -3.45 112.91 118.02 3gj2 h THR 63 Ca -0.00 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.70 3gj2 h THR 63 Cb 0.36 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3gj2 h THR 63 CO 0.03 0.40 0.91 0.49 0.37 0.00 0.00 175.52 177.72 3gj2 n PHE 64 N -4.66 0.00 0.00 3.16 3.72 -0.56 -5.03 117.46 114.09 3gj2 n PHE 64 Ca -0.08 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 56.90 3gj2 n PHE 64 Cb 0.36 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 4.66 0.00 0.51 -4.37 0.24 -1.26 -5.01 118.33 113.10 3gj2 n VAL 68 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3gj2 n VAL 68 Cb 0.00 0.00 0.25 0.00 -1.47 0.00 0.00 33.84 32.62 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 0.24 0.19 7.34 6.02 -1.26 -1.50 117.38 128.41 3gj2 n GLN 69 Ca 0.00 0.04 0.13 0.00 -0.01 0.00 0.00 57.00 57.16 3gj2 n GLN 69 Cb 0.00 -1.50 0.67 0.00 1.02 0.00 0.00 30.24 30.43 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 -2.41 0.23 -2.23 0.00 3.72 -0.56 -4.70 117.46 111.51 3gj2 n PHE 71 Ca -0.01 -0.11 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 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 -1.59 5.94 -0.33 4.37 0.01 -0.82 -4.10 113.70 117.17 3gj2 s SER 72 Ca 0.33 2.28 -0.23 0.00 1.31 0.00 0.00 55.95 59.65 3gj2 s SER 72 Cb 0.18 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3gj2 s SER 72 CO 0.27 -1.08 0.76 -0.60 0.41 0.00 0.00 173.24 173.00 3gj2 s ARG 73 N -2.93 3.86 -0.26 12.44 3.52 -0.36 -4.78 118.95 130.44 3gj2 s ARG 73 Ca 0.68 0.41 -0.14 0.00 -0.13 0.00 0.00 55.73 56.55 3gj2 s ARG 73 Cb -0.28 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 3gj2 s ARG 73 CO 0.32 -0.73 0.31 0.71 -0.81 0.00 0.00 175.30 175.10 3gj2 s TYR 74 N 2.95 3.27 0.68 5.12 1.51 -1.26 -0.94 117.35 128.69 3gj2 s TYR 74 Ca 0.31 0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 56.56 3gj2 s TYR 74 Cb -0.14 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.22 3gj2 s TYR 74 CO 0.14 -0.14 1.01 -2.30 -1.11 0.00 0.00 175.55 173.15 3gj2 n PRO 75 N 4.98 0.68 -0.28 -1.71 -0.02 -1.26 -4.73 135.00 132.66 3gj2 n PRO 75 Ca -0.10 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.73 3gj2 n PRO 75 Cb 0.51 -2.25 0.18 0.00 -0.02 0.00 0.00 33.50 31.92 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 0.03 -0.43 0.40 2.55 3.45 -2.00 0.25 116.42 120.67 3gj2 h ASP 76 Ca -0.48 0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3gj2 h ASP 76 Cb 1.34 0.39 0.00 0.00 -0.56 0.00 0.00 39.33 40.51 3gj2 h ASP 76 CO 0.49 -0.22 0.00 0.00 -1.57 0.00 0.00 179.24 177.93 3gj2 n HIS 77 N -5.40 0.29 -0.10 4.55 1.44 -1.26 -2.56 115.22 112.18 3gj2 n HIS 77 Ca 0.15 0.12 0.03 0.00 -2.01 0.00 0.00 57.72 56.02 3gj2 n HIS 77 Cb 0.52 -0.70 0.09 0.00 0.12 0.00 0.00 29.99 30.02 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 -1.77 2.91 0.25 -1.40 2.81 0.85 -4.75 117.12 116.02 3gj2 n MET 78 Ca 0.02 -1.83 0.15 0.00 -1.81 0.00 0.00 57.70 54.24 3gj2 n MET 78 Cb 0.14 -1.16 0.85 0.00 -0.71 0.00 0.00 33.22 32.33 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 1.21 0.00 0.00 0.03 1.79 -1.21 -0.08 116.57 118.30 3gj2 h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gj2 h LYS 79 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3gj2 h LYS 79 CO 0.00 0.00 0.00 2.89 -1.08 0.00 0.00 179.45 181.26 3gj2 n ARG 80 N -3.91 0.01 -0.14 3.15 1.85 -1.26 -3.14 116.66 113.21 3gj2 n ARG 80 Ca -0.01 0.16 0.11 0.00 -1.00 0.00 0.00 57.85 57.12 3gj2 n ARG 80 Cb 0.20 -1.50 0.18 0.00 -1.05 0.00 0.00 32.46 30.29 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 -1.49 0.38 -2.68 2.89 8.25 -0.04 -4.60 115.22 117.92 3gj2 n HIS 81 Ca 0.05 -0.21 -0.43 0.00 -0.26 0.00 0.00 57.72 56.87 3gj2 n HIS 81 Cb 0.22 -0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.49 6.83 0.22 0.41 -1.08 -1.19 -4.44 116.67 115.93 3gj2 s ASP 82 Ca 0.34 -2.39 -0.08 0.00 -0.52 0.00 0.00 52.55 49.90 3gj2 s ASP 82 Cb 0.21 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.39 3gj2 s ASP 82 CO 0.29 -1.12 1.86 0.15 0.52 0.00 0.00 175.17 176.87 3gj2 h PHE 83 N 7.90 0.93 -0.28 -5.34 3.57 -1.88 -3.13 116.94 118.72 3gj2 h PHE 83 Ca 0.36 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 3gj2 h PHE 83 Cb 0.90 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3gj2 h PHE 83 CO 1.31 0.51 0.08 0.74 -2.23 0.00 0.00 178.31 178.72 3gj2 h PHE 84 N 0.95 0.46 -0.10 0.41 0.04 -1.88 -2.20 116.94 114.62 3gj2 h PHE 84 Ca 0.33 -0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.92 3gj2 h PHE 84 Cb 0.06 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 3gj2 h PHE 84 CO -0.03 0.50 -0.50 0.87 -0.60 0.00 0.00 178.31 178.54 3gj2 h LYS 85 N 0.28 0.27 0.00 1.51 1.57 -1.84 -3.09 116.57 115.27 3gj2 h LYS 85 Ca 0.09 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gj2 h LYS 85 Cb 0.26 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3gj2 h LYS 85 CO -0.00 0.72 -0.06 0.66 -0.57 0.00 0.00 179.45 180.19 3gj2 h SER 86 N 0.22 0.00 0.71 0.86 4.64 -1.35 -1.27 113.55 117.36 3gj2 h SER 86 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3gj2 h SER 86 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3gj2 h SER 86 CO 0.08 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3gj2 n ALA 87 N -2.19 2.30 -2.55 5.18 0.00 -0.97 -4.63 120.51 117.65 3gj2 n ALA 87 Ca -0.02 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 3gj2 n ALA 87 Cb 0.21 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.78 3.65 0.10 0.00 1.00 -0.48 -0.19 119.30 120.59 3gj2 s MET 88 Ca 0.20 0.00 0.27 0.00 0.00 0.00 0.00 55.69 56.16 3gj2 s MET 88 Cb 0.18 -2.69 0.91 0.00 0.00 0.00 0.00 34.83 33.23 3gj2 s MET 88 CO 0.45 0.28 1.76 -0.35 0.00 0.00 0.00 175.02 177.17 3gj2 n PRO 89 N -0.64 0.14 0.20 2.03 -0.04 -1.26 -3.93 135.00 131.49 3gj2 n PRO 89 Ca -0.02 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3gj2 n PRO 89 Cb 0.53 -1.64 0.39 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.00 0.00 0.54 5.08 -1.88 -2.50 114.58 115.82 3gj2 h GLU 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gj2 h GLU 90 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3gj2 h GLU 90 CO 0.00 0.33 0.00 0.41 -1.00 0.00 0.00 179.01 178.75 3gj2 n GLY 91 N 0.08 -2.61 3.16 -3.84 0.00 0.73 -4.62 105.19 98.09 3gj2 n GLY 91 Ca -0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.38 0.86 -0.15 1.61 -0.85 -0.25 -1.27 117.35 116.93 3gj2 s TYR 92 Ca 0.00 -0.97 -0.14 0.00 -0.52 0.00 0.00 57.07 55.44 3gj2 s TYR 92 Cb 0.00 -0.51 -0.05 0.00 0.38 0.00 0.00 41.96 41.78 3gj2 s TYR 92 CO 0.00 -0.22 0.32 0.08 -1.52 0.00 0.00 175.55 174.21 3gj2 s VAL 93 N -3.70 5.29 -0.12 -3.49 1.01 0.38 -0.55 120.40 119.22 3gj2 s VAL 93 Ca 0.13 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.74 3gj2 s VAL 93 Cb 0.06 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3gj2 s VAL 93 CO -0.04 0.39 -0.22 -1.58 0.00 0.00 0.00 175.10 173.64 3gj2 s GLN 94 N 0.44 3.06 -0.06 2.72 0.74 0.38 -1.24 119.66 125.70 3gj2 s GLN 94 Ca 0.18 -0.85 0.04 0.00 0.05 0.00 0.00 55.36 54.78 3gj2 s GLN 94 Cb -0.13 -2.40 -0.00 0.00 1.10 0.00 0.00 33.01 31.57 3gj2 s GLN 94 CO 0.05 0.08 -0.18 -1.21 -0.55 0.00 0.00 175.29 173.47 3gj2 s GLU 95 N 0.60 2.05 0.12 1.67 2.02 -0.14 0.45 118.70 125.47 3gj2 s GLU 95 Ca -0.12 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.27 3gj2 s GLU 95 Cb -0.17 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3gj2 s GLU 95 CO 0.03 0.21 -0.11 1.03 0.02 0.00 0.00 175.26 176.44 3gj2 s ARG 96 N 0.18 0.95 -0.18 1.61 0.52 -0.20 -1.53 118.95 120.29 3gj2 s ARG 96 Ca -0.08 -1.26 -0.04 0.00 -0.52 0.00 0.00 55.73 53.83 3gj2 s ARG 96 Cb -0.14 -0.64 -0.02 0.00 0.52 0.00 0.00 34.95 34.67 3gj2 s ARG 96 CO 0.04 0.10 -0.02 0.99 0.02 0.00 0.00 175.30 176.43 3gj2 s THR 97 N -2.63 3.90 -0.20 0.02 2.01 -0.58 -0.09 115.64 118.06 3gj2 s THR 97 Ca 0.09 -0.34 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 3gj2 s THR 97 Cb -0.02 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.75 3gj2 s THR 97 CO 0.01 0.45 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.66 3gj2 s ILE 98 N 0.77 2.90 -0.30 1.82 1.01 0.13 -1.49 121.20 126.05 3gj2 s ILE 98 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 3gj2 s ILE 98 Cb -0.14 -2.29 0.04 0.00 0.01 0.00 0.00 42.46 40.08 3gj2 s ILE 98 CO 0.02 0.47 0.02 -0.44 0.00 0.00 0.00 174.94 175.01 3gj2 s SER 99 N 1.34 4.89 -0.11 3.58 0.01 0.03 -0.00 113.70 123.43 3gj2 s SER 99 Ca 0.04 -1.08 -0.27 0.00 1.31 0.00 0.00 55.95 55.95 3gj2 s SER 99 Cb -0.14 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 3gj2 s SER 99 CO -0.06 -0.24 0.88 -0.36 0.41 0.00 0.00 173.24 173.88 3gj2 s PHE 100 N 1.33 3.50 0.15 2.43 0.08 -0.58 -1.11 117.98 123.79 3gj2 s PHE 100 Ca -0.02 1.41 -0.31 0.00 0.12 0.00 0.00 56.93 58.13 3gj2 s PHE 100 Cb -0.19 -3.05 -0.11 0.00 -0.57 0.00 0.00 43.02 39.10 3gj2 s PHE 100 CO -0.00 -0.16 1.81 0.21 -0.10 0.00 0.00 175.22 176.97 3gj2 s LYS 101 N 1.78 4.13 -1.20 0.44 2.47 -0.08 -1.36 119.74 125.91 3gj2 s LYS 101 Ca 0.43 2.62 -0.00 0.00 -1.56 0.00 0.00 55.97 57.45 3gj2 s LYS 101 Cb -0.18 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 3gj2 s LYS 101 CO 0.17 -0.82 0.06 -0.25 0.16 0.00 0.00 175.35 174.66 3gj2 n ASP 102 N 5.18 -4.42 -0.65 1.43 8.00 -1.26 -4.86 116.55 119.97 3gj2 n ASP 102 Ca 0.17 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.63 3gj2 n ASP 102 Cb 0.37 -3.54 0.00 0.00 -0.02 0.00 0.00 41.12 37.93 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 -0.80 0.00 -2.54 -2.24 -0.08 -0.47 -4.95 116.55 105.47 3gj2 n ASP 103 Ca -0.16 -0.65 -0.06 0.00 -1.51 0.00 0.00 54.79 52.42 3gj2 n ASP 103 Cb 0.62 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.13 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 -1.82 3.04 0.27 0.00 -1.15 -4.52 105.19 101.02 3gj2 n GLY 104 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.04 0.60 0.04 1.61 2.20 -1.01 -1.52 114.94 114.81 3gj2 s ASN 105 Ca 0.15 -0.61 0.01 0.00 -0.94 0.00 0.00 52.86 51.47 3gj2 s ASN 105 Cb -0.01 0.08 -0.04 0.00 -2.00 0.00 0.00 41.25 39.28 3gj2 s ASN 105 CO 0.11 -0.30 0.11 -0.31 -2.94 0.00 0.00 177.10 173.77 3gj2 s TYR 106 N -1.84 3.32 -0.11 1.54 2.02 1.00 -2.50 117.35 120.77 3gj2 s TYR 106 Ca -0.09 0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.82 3gj2 s TYR 106 Cb -0.07 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3gj2 s TYR 106 CO -0.02 0.56 -0.20 0.15 -1.57 0.00 0.00 175.55 174.47 3gj2 s LYS 107 N -2.13 2.72 0.12 -0.62 1.02 0.02 0.21 119.74 121.07 3gj2 s LYS 107 Ca 0.28 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.60 3gj2 s LYS 107 Cb -0.12 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 3gj2 s LYS 107 CO 0.20 0.04 -0.21 0.95 -0.92 0.00 0.00 175.35 175.41 3gj2 s THR 108 N 0.68 1.77 -0.05 2.17 -4.23 0.87 -1.40 115.64 115.45 3gj2 s THR 108 Ca -0.12 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 3gj2 s THR 108 Cb -0.16 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 72.07 3gj2 s THR 108 CO 0.02 -0.10 0.03 -0.60 -0.54 0.00 0.00 174.62 173.44 3gj2 s ARG 109 N -2.08 0.22 0.07 3.99 3.52 -0.66 -1.04 118.95 122.98 3gj2 s ARG 109 Ca 0.09 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.96 3gj2 s ARG 109 Cb -0.09 -0.65 -0.03 0.00 -1.56 0.00 0.00 34.95 32.62 3gj2 s ARG 109 CO 0.05 -0.28 -0.15 0.00 -0.81 0.00 0.00 175.30 174.11 3gj2 s ALA 110 N 1.84 1.23 -0.15 6.12 0.00 0.17 -1.04 121.76 129.94 3gj2 s ALA 110 Ca 0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3gj2 s ALA 110 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3gj2 s ALA 110 CO -0.03 0.19 -0.09 -1.21 0.00 0.00 0.00 175.76 174.62 3gj2 s GLU 111 N -1.69 3.47 -0.23 0.00 2.02 -0.39 -0.47 118.70 121.41 3gj2 s GLU 111 Ca -0.01 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3gj2 s GLU 111 Cb -0.10 -2.77 0.03 0.00 0.10 0.00 0.00 34.13 31.39 3gj2 s GLU 111 CO 0.02 0.17 -0.11 0.08 0.02 0.00 0.00 175.26 175.44 3gj2 s VAL 112 N 0.51 2.53 0.21 2.63 1.01 0.29 -1.22 120.40 126.36 3gj2 s VAL 112 Ca -0.06 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 3gj2 s VAL 112 Cb -0.15 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 33.99 3gj2 s VAL 112 CO 0.04 0.24 0.59 -1.59 0.00 0.00 0.00 175.10 174.37 3gj2 s LYS 113 N 1.27 1.47 0.27 2.72 -2.85 -0.49 -1.09 119.74 121.04 3gj2 s LYS 113 Ca -0.01 -0.83 -0.27 0.00 -1.00 0.00 0.00 55.97 53.86 3gj2 s LYS 113 Cb -0.16 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.07 3gj2 s LYS 113 CO -0.07 -0.64 0.92 -0.06 0.10 0.00 0.00 175.35 175.60 3gj2 s PHE 114 N -3.86 3.83 -0.23 1.78 0.40 -0.94 -1.16 117.98 117.79 3gj2 s PHE 114 Ca 0.08 1.81 -0.03 0.00 -0.60 0.00 0.00 56.93 58.20 3gj2 s PHE 114 Cb -0.02 -2.92 0.07 0.00 0.51 0.00 0.00 43.02 40.66 3gj2 s PHE 114 CO -0.02 0.34 0.06 -2.00 0.70 0.00 0.00 175.22 174.30 3gj2 s GLU 115 N -1.63 0.57 6.68 0.44 2.12 0.54 -4.92 118.70 122.50 3gj2 s GLU 115 Ca 0.45 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.24 3gj2 s GLU 115 Cb -0.22 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.21 3gj2 s GLU 115 CO 0.27 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.65 3gj2 n GLY 116 N 5.05 3.07 0.87 -1.50 0.00 -1.26 -2.44 105.19 108.97 3gj2 n GLY 116 Ca -0.07 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.76 3gj2 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj2 n ASP 117 N 2.79 2.58 -4.83 1.61 8.00 -1.26 -4.88 116.55 120.56 3gj2 n ASP 117 Ca 0.00 -1.89 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 3gj2 n ASP 117 Cb 0.00 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 3gj2 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gj2 s THR 118 N -1.56 5.47 -0.19 -3.53 2.01 -1.02 -4.44 115.64 112.38 3gj2 s THR 118 Ca 0.35 0.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 3gj2 s THR 118 Cb 0.19 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 3gj2 s THR 118 CO 0.27 0.56 0.72 -0.22 -0.69 0.00 0.00 174.62 175.26 3gj2 s LEU 119 N -0.55 4.15 -0.09 4.42 1.98 -0.57 -0.34 118.68 127.68 3gj2 s LEU 119 Ca 0.13 0.98 0.04 0.00 -2.89 0.00 0.00 54.13 52.39 3gj2 s LEU 119 Cb -0.12 -3.04 -0.00 0.00 0.66 0.00 0.00 46.19 43.69 3gj2 s LEU 119 CO 0.02 -0.33 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.22 3gj2 s VAL 120 N 2.04 2.04 -0.32 1.68 1.01 -0.31 -1.13 120.40 125.41 3gj2 s VAL 120 Ca 0.33 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 3gj2 s VAL 120 Cb -0.16 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.53 3gj2 s VAL 120 CO 0.11 0.56 0.02 0.21 0.00 0.00 0.00 175.10 176.00 3gj2 s ASN 121 N 0.28 4.87 -0.18 3.32 2.47 0.07 -1.40 114.94 124.37 3gj2 s ASN 121 Ca -0.17 -1.53 -0.03 0.00 0.42 0.00 0.00 52.86 51.55 3gj2 s ASN 121 Cb -0.17 -1.70 -0.02 0.00 -1.45 0.00 0.00 41.25 37.91 3gj2 s ASN 121 CO 0.08 -0.31 -0.05 -0.13 -3.72 0.00 0.00 177.10 172.97 3gj2 s ARG 122 N 1.17 3.50 0.04 0.43 0.52 -0.36 -1.26 118.95 123.00 3gj2 s ARG 122 Ca -0.02 -0.59 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 3gj2 s ARG 122 Cb -0.20 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3gj2 s ARG 122 CO -0.03 0.06 -0.16 0.42 0.02 0.00 0.00 175.30 175.61 3gj2 s ILE 123 N 0.81 1.30 -0.08 1.52 1.01 0.61 -1.26 121.20 125.10 3gj2 s ILE 123 Ca -0.02 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.61 3gj2 s ILE 123 Cb -0.15 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 3gj2 s ILE 123 CO 0.02 0.07 -0.24 -1.61 0.00 0.00 0.00 174.94 173.18 3gj2 s GLU 124 N -1.16 2.75 0.01 2.79 2.02 -0.21 -1.48 118.70 123.43 3gj2 s GLU 124 Ca 0.04 -0.87 0.05 0.00 0.02 0.00 0.00 54.97 54.21 3gj2 s GLU 124 Cb -0.08 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3gj2 s GLU 124 CO 0.01 0.27 -0.16 -1.17 0.02 0.00 0.00 175.26 174.24 3gj2 s LEU 125 N 0.12 2.09 -0.07 1.80 0.20 0.61 -1.65 118.68 121.77 3gj2 s LEU 125 Ca -0.12 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 54.35 3gj2 s LEU 125 Cb -0.16 -0.76 0.02 0.00 -0.43 0.00 0.00 46.19 44.87 3gj2 s LEU 125 CO 0.06 0.14 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.47 3gj2 s LYS 126 N -0.68 1.03 -0.02 1.98 2.47 -0.49 -1.52 119.74 122.51 3gj2 s LYS 126 Ca 0.05 -0.11 0.07 0.00 -1.56 0.00 0.00 55.97 54.41 3gj2 s LYS 126 Cb -0.07 -1.11 -0.02 0.00 -1.46 0.00 0.00 37.83 35.17 3gj2 s LYS 126 CO 0.00 -0.17 -0.23 0.20 0.16 0.00 0.00 175.35 175.31 3gj2 s GLY 127 N 1.37 1.36 0.06 5.54 0.00 0.25 -0.80 107.32 115.09 3gj2 s GLY 127 Ca -0.03 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 3gj2 s GLY 127 CO -0.03 -0.91 0.11 -0.26 0.00 0.00 0.00 173.10 172.01 3gj2 s ILE 128 N -0.67 0.15 -1.03 0.90 -4.36 -1.04 -0.79 121.20 114.36 3gj2 s ILE 128 Ca 0.11 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 3gj2 s ILE 128 Cb -0.10 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.45 3gj2 s ILE 128 CO -0.00 -0.69 0.00 0.47 0.24 0.00 0.00 174.94 174.96 3gj2 n ASP 129 N 0.36 -4.00 -4.78 4.36 8.00 -1.26 -2.39 116.55 116.84 3gj2 n ASP 129 Ca -0.17 0.17 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 3gj2 n ASP 129 Cb 0.60 -2.67 -0.06 0.00 -0.02 0.00 0.00 41.12 38.97 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 -2.43 3.52 0.12 1.24 0.40 -1.26 -2.94 117.98 116.64 3gj2 s PHE 130 Ca 0.00 1.72 -0.30 0.00 -0.60 0.00 0.00 56.93 57.75 3gj2 s PHE 130 Cb 0.00 -3.01 -0.06 0.00 0.51 0.00 0.00 43.02 40.46 3gj2 s PHE 130 CO 0.00 -0.13 1.09 0.15 0.70 0.00 0.00 175.22 177.04 3gj2 s LYS 131 N -2.23 4.56 0.38 0.44 1.02 -1.26 -4.91 119.74 117.74 3gj2 s LYS 131 Ca 0.53 1.67 0.09 0.00 0.02 0.00 0.00 55.97 58.27 3gj2 s LYS 131 Cb -0.20 -3.33 0.77 0.00 -0.52 0.00 0.00 37.83 34.55 3gj2 s LYS 131 CO 0.25 -0.00 1.92 0.93 -0.92 0.00 0.00 175.35 177.53 3gj2 h GLU 132 N 5.77 0.31 -0.08 1.68 5.08 -1.96 -2.20 114.58 123.18 3gj2 h GLU 132 Ca -0.43 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 3gj2 h GLU 132 Cb 1.21 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3gj2 h GLU 132 CO 0.75 0.40 -0.39 -3.47 -1.00 0.00 0.00 179.01 175.30 3gj2 n ASP 133 N -4.30 1.91 -3.23 1.42 2.03 -1.26 -3.65 116.55 109.46 3gj2 n ASP 133 Ca -0.00 -3.85 -0.20 0.00 0.52 0.00 0.00 54.79 51.25 3gj2 n ASP 133 Cb 0.24 -0.55 0.17 0.00 -0.72 0.00 0.00 41.12 40.26 3gj2 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gj2 n GLY 134 N -1.13 -2.46 0.24 0.27 0.00 -0.83 -4.68 105.19 96.60 3gj2 n GLY 134 Ca 0.22 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.02 0.00 0.00 1.61 2.35 -1.93 -0.11 115.58 115.47 3gj2 h ASN 135 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3gj2 h ASN 135 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 3gj2 h ASN 135 CO 0.19 0.12 -0.24 0.40 -1.65 0.00 0.00 177.43 176.24 3gj2 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -0.39 117.51 123.04 3gj2 h ILE 136 Ca -0.00 -0.77 -0.03 0.00 -0.12 0.00 0.00 64.86 63.95 3gj2 h ILE 136 Cb 0.22 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.01 3gj2 h ILE 136 CO 0.02 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.29 3gj2 h LEU 137 N -0.77 0.00 -0.81 1.44 3.38 -1.72 -1.93 115.31 114.91 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 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gj2 h LEU 137 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3gj2 n GLY 138 N 0.33 -0.08 3.68 0.83 0.00 -0.05 -4.89 105.19 105.00 3gj2 n GLY 138 Ca 0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 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 0.01 -1.93 -0.21 1.61 8.25 -0.72 -4.90 115.22 117.34 3gj2 n HIS 139 Ca 0.16 0.60 0.11 0.00 -0.26 0.00 0.00 57.72 58.34 3gj2 n HIS 139 Cb 0.27 -3.72 0.28 0.00 1.12 0.00 0.00 29.99 27.93 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 -4.13 2.67 -2.98 -0.41 5.02 -0.17 -4.97 118.16 113.19 3gj2 n LYS 140 Ca -0.16 -2.51 -0.37 0.00 -2.02 0.00 0.00 58.31 53.25 3gj2 n LYS 140 Cb 0.62 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 -1.10 4.43 0.50 -0.35 1.02 -1.25 -0.49 118.68 121.43 3gj2 s LEU 141 Ca 0.44 1.60 -0.21 0.00 0.02 0.00 0.00 54.13 55.98 3gj2 s LEU 141 Cb 0.23 -3.60 -0.07 0.00 0.02 0.00 0.00 46.19 42.78 3gj2 s LEU 141 CO 0.31 0.07 1.10 -1.61 0.02 0.00 0.00 176.35 176.24 3gj2 s GLU 142 N -1.72 3.62 -1.27 1.70 0.41 -0.57 -4.78 118.70 116.10 3gj2 s GLU 142 Ca 0.42 1.56 -0.16 0.00 -0.41 0.00 0.00 54.97 56.38 3gj2 s GLU 142 Cb -0.19 -2.15 0.11 0.00 -1.78 0.00 0.00 34.13 30.12 3gj2 s GLU 142 CO 0.24 -0.62 1.65 0.98 -0.49 0.00 0.00 175.26 177.02 3gj2 n TYR 143 N -0.95 4.70 -3.75 1.61 9.36 -1.26 -4.84 117.16 122.02 3gj2 n TYR 143 Ca 0.10 -3.03 -0.03 0.00 3.32 0.00 0.00 57.90 58.25 3gj2 n TYR 143 Cb 0.51 -2.46 0.02 0.00 -0.63 0.00 0.00 39.34 36.78 3gj2 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gj2 n ASN 144 N 7.20 -1.37 -3.56 2.98 0.23 -1.26 -4.82 115.26 114.67 3gj2 n ASN 144 Ca 0.44 -1.76 -0.16 0.00 -0.53 0.00 0.00 54.58 52.58 3gj2 n ASN 144 Cb 0.44 2.23 -0.06 0.00 -2.08 0.00 0.00 39.78 40.31 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 -3.20 -0.67 0.51 -2.53 5.04 -1.26 -4.87 117.35 110.37 3gj2 s TYR 145 Ca 0.16 1.32 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 3gj2 s TYR 145 Cb -0.02 0.37 0.03 0.00 0.35 0.00 0.00 41.96 42.69 3gj2 s TYR 145 CO 0.05 -0.52 0.51 -0.80 -1.34 0.00 0.00 175.55 173.45 3gj2 s ASN 146 N -0.71 4.92 0.19 4.32 0.01 -1.26 -4.76 114.94 117.65 3gj2 s ASN 146 Ca -0.07 -0.97 -0.20 0.00 -0.71 0.00 0.00 52.86 50.92 3gj2 s ASN 146 Cb -0.02 0.07 -0.08 0.00 0.41 0.00 0.00 41.25 41.64 3gj2 s ASN 146 CO 0.07 -1.03 0.70 -0.44 -1.51 0.00 0.00 177.10 174.88 3gj2 s SER 147 N -4.35 7.08 0.02 -1.22 0.01 -1.26 -4.42 113.70 109.57 3gj2 s SER 147 Ca 0.46 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 59.09 3gj2 s SER 147 Cb -0.04 -2.41 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 3gj2 s SER 147 CO 0.28 0.09 0.03 -1.00 0.41 0.00 0.00 173.24 173.06 3gj2 s HIS 148 N -1.42 0.23 -0.17 2.43 3.76 -0.78 -4.98 115.29 114.35 3gj2 s HIS 148 Ca 0.40 -0.51 -0.06 0.00 -0.15 0.00 0.00 55.06 54.74 3gj2 s HIS 148 Cb -0.18 -0.17 -0.04 0.00 1.11 0.00 0.00 32.58 33.30 3gj2 s HIS 148 CO 0.21 -0.27 0.03 -0.80 -0.85 0.00 0.00 174.74 173.05 3gj2 s ASN 149 N -1.78 5.31 -0.39 1.40 0.02 -1.26 -0.89 114.94 117.36 3gj2 s ASN 149 Ca -0.10 -0.00 -0.10 0.00 -1.02 0.00 0.00 52.86 51.64 3gj2 s ASN 149 Cb -0.05 -1.90 0.05 0.00 0.02 0.00 0.00 41.25 39.37 3gj2 s ASN 149 CO -0.02 0.17 0.21 -0.69 0.02 0.00 0.00 177.10 176.78 3gj2 s VAL 150 N 0.39 4.31 -0.26 1.60 1.01 0.66 -4.83 120.40 123.28 3gj2 s VAL 150 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.60 3gj2 s VAL 150 Cb -0.13 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3gj2 s VAL 150 CO 0.01 -0.33 0.95 -0.31 0.00 0.00 0.00 175.10 175.42 3gj2 s TYR 151 N 1.48 3.28 -0.13 5.22 2.02 -1.26 -0.89 117.35 127.07 3gj2 s TYR 151 Ca 0.02 1.24 -0.10 0.00 -0.37 0.00 0.00 57.07 57.85 3gj2 s TYR 151 Cb -0.21 -3.26 -0.05 0.00 -0.40 0.00 0.00 41.96 38.05 3gj2 s TYR 151 CO 0.04 -0.51 0.21 0.42 -1.57 0.00 0.00 175.55 174.14 3gj2 s ILE 152 N 3.13 5.37 0.08 2.71 -1.09 0.34 -3.75 121.20 127.99 3gj2 s ILE 152 Ca 0.40 0.37 0.07 0.00 -2.23 0.00 0.00 60.65 59.25 3gj2 s ILE 152 Cb -0.15 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 3gj2 s ILE 152 CO 0.09 0.52 -0.19 0.42 -1.23 0.00 0.00 174.94 174.55 3gj2 s THR 153 N -0.38 1.52 0.39 2.92 -4.23 0.02 -3.07 115.64 112.82 3gj2 s THR 153 Ca 0.15 -1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 59.02 3gj2 s THR 153 Cb -0.13 -1.38 -0.09 0.00 1.34 0.00 0.00 72.50 72.24 3gj2 s THR 153 CO 0.04 -0.04 1.29 0.00 -0.54 0.00 0.00 174.62 175.37 3gj2 s ALA 154 N -1.08 3.28 -0.63 3.99 0.00 -1.25 -0.88 121.76 125.18 3gj2 s ALA 154 Ca 0.04 1.20 0.02 0.00 0.00 0.00 0.00 51.96 53.22 3gj2 s ALA 154 Cb -0.10 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.71 3gj2 s ALA 154 CO 0.03 -0.76 0.41 0.34 0.00 0.00 0.00 175.76 175.79 3gj2 s ASP 155 N -0.75 4.84 0.26 0.00 -1.08 0.25 -4.77 116.67 115.42 3gj2 s ASP 155 Ca 0.56 -3.23 -0.02 0.00 -0.52 0.00 0.00 52.55 49.33 3gj2 s ASP 155 Cb -0.37 -1.72 0.35 0.00 -1.46 0.00 0.00 42.92 39.71 3gj2 s ASP 155 CO 0.48 -0.23 1.80 0.11 0.52 0.00 0.00 175.17 177.85 3gj2 h LYS 156 N 6.34 0.87 -0.66 4.34 1.57 -1.96 -0.99 116.57 126.08 3gj2 h LYS 156 Ca 0.01 -0.19 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3gj2 h LYS 156 Cb 0.87 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 3gj2 h LYS 156 CO 0.72 0.79 0.34 1.96 -0.57 0.00 0.00 179.45 182.69 3gj2 h GLN 157 N 0.83 0.58 -0.68 3.15 4.20 -1.94 -1.78 115.11 119.47 3gj2 h GLN 157 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gj2 h GLN 157 Cb 0.33 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3gj2 h GLN 157 CO 0.00 0.38 0.00 1.63 -0.67 0.00 0.00 178.83 180.18 3gj2 n LYS 158 N -4.85 3.26 -3.28 1.46 5.02 -1.01 -4.96 118.16 113.79 3gj2 n LYS 158 Ca 0.09 -2.77 -0.24 0.00 -2.02 0.00 0.00 58.31 53.38 3gj2 n LYS 158 Cb 0.23 -1.73 0.04 0.00 -0.02 0.00 0.00 35.03 33.54 3gj2 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3gj2 n ASN 159 N 1.33 -5.73 0.00 4.39 5.15 -0.48 -4.74 115.26 115.17 3gj2 n ASN 159 Ca 0.25 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 3gj2 n ASN 159 Cb 0.76 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.40 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 -1.60 3.64 3.20 8.20 0.00 -0.57 -4.36 105.19 113.70 3gj2 n GLY 160 Ca -0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.24 0.30 0.14 -0.61 -4.36 -0.79 -0.58 121.20 115.05 3gj2 s ILE 161 Ca 0.00 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 3gj2 s ILE 161 Cb 0.00 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 3gj2 s ILE 161 CO 0.00 -0.36 -0.02 -0.54 0.24 0.00 0.00 174.94 174.26 3gj2 s LYS 162 N -4.02 0.97 -0.02 0.37 3.01 -0.06 -1.39 119.74 118.61 3gj2 s LYS 162 Ca 0.27 -1.44 -0.24 0.00 -1.01 0.00 0.00 55.97 53.55 3gj2 s LYS 162 Cb 0.07 -0.18 0.05 0.00 -1.01 0.00 0.00 37.83 36.76 3gj2 s LYS 162 CO 0.05 -0.10 0.53 0.00 0.51 0.00 0.00 175.35 176.34 3gj2 s ALA 163 N -3.69 -1.37 -0.05 5.17 0.00 -0.68 -0.80 121.76 120.34 3gj2 s ALA 163 Ca 0.19 0.86 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 3gj2 s ALA 163 Cb 0.06 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3gj2 s ALA 163 CO 0.00 -0.37 0.17 0.54 0.00 0.00 0.00 175.76 176.11 3gj2 s ASN 164 N -1.41 -0.14 0.14 0.00 4.22 -1.25 -0.90 114.94 115.60 3gj2 s ASN 164 Ca -0.10 0.23 -0.24 0.00 -2.14 0.00 0.00 52.86 50.61 3gj2 s ASN 164 Cb -0.02 0.33 0.07 0.00 1.28 0.00 0.00 41.25 42.92 3gj2 s ASN 164 CO 0.06 -0.14 0.64 0.72 -2.04 0.00 0.00 177.10 176.34 3gj2 s PHE 165 N -0.26 -0.50 -0.15 1.54 -0.12 -0.60 -4.32 117.98 113.57 3gj2 s PHE 165 Ca -0.03 0.30 -0.00 0.00 -0.05 0.00 0.00 56.93 57.14 3gj2 s PHE 165 Cb -0.03 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3gj2 s PHE 165 CO 0.01 -0.82 -0.13 0.15 -0.05 0.00 0.00 175.22 174.38 3gj2 s LYS 166 N -3.67 3.33 0.04 1.99 1.02 -1.26 -0.76 119.74 120.44 3gj2 s LYS 166 Ca 0.02 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.12 3gj2 s LYS 166 Cb -0.01 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.57 3gj2 s LYS 166 CO -0.12 0.11 0.54 0.42 -0.92 0.00 0.00 175.35 175.38 3gj2 s ILE 167 N 0.60 4.83 -0.38 2.17 -1.09 0.29 -4.88 121.20 122.75 3gj2 s ILE 167 Ca -0.08 1.14 -0.11 0.00 -2.23 0.00 0.00 60.65 59.37 3gj2 s ILE 167 Cb -0.16 -3.87 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 3gj2 s ILE 167 CO 0.03 0.53 0.22 -0.13 -1.23 0.00 0.00 174.94 174.36 3gj2 s ARG 168 N -0.91 2.88 -0.29 2.79 0.52 -1.26 -1.00 118.95 121.67 3gj2 s ARG 168 Ca 0.28 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.33 3gj2 s ARG 168 Cb -0.19 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 3gj2 s ARG 168 CO 0.17 -0.69 0.19 -1.01 0.02 0.00 0.00 175.30 173.99 3gj2 s HIS 169 N 1.58 3.21 0.27 -0.53 3.76 0.55 -4.45 115.29 119.66 3gj2 s HIS 169 Ca 0.03 -0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 54.62 3gj2 s HIS 169 Cb -0.19 -2.39 -0.09 0.00 1.11 0.00 0.00 32.58 31.01 3gj2 s HIS 169 CO 0.07 -0.23 1.08 -0.80 -0.85 0.00 0.00 174.74 174.01 3gj2 s ASN 170 N 1.74 7.31 0.08 1.40 0.01 -1.26 -0.06 114.94 124.17 3gj2 s ASN 170 Ca 0.07 2.22 0.03 0.00 -0.71 0.00 0.00 52.86 54.46 3gj2 s ASN 170 Cb -0.16 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 3gj2 s ASN 170 CO 0.10 -0.11 0.11 -0.63 -1.51 0.00 0.00 177.10 175.06 3gj2 s ILE 171 N -1.08 4.69 0.63 0.60 -1.09 0.15 -1.50 121.20 123.59 3gj2 s ILE 171 Ca 0.44 -0.72 0.44 0.00 -2.23 0.00 0.00 60.65 58.58 3gj2 s ILE 171 Cb -0.31 -3.28 0.45 0.00 -1.58 0.00 0.00 42.46 37.74 3gj2 s ILE 171 CO 0.39 0.11 2.35 -0.33 -1.23 0.00 0.00 174.94 176.23 3gj2 h GLU 172 N 3.18 0.00 -0.45 2.79 5.08 -1.09 -1.15 114.58 122.94 3gj2 h GLU 172 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 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 0.67 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.28 3gj2 n ASP 173 N -3.08 1.96 0.00 1.42 5.68 -1.26 -4.90 116.55 116.37 3gj2 n ASP 173 Ca -0.03 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 3gj2 n ASP 173 Cb 0.09 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 3gj2 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gj2 n GLY 174 N 0.77 1.92 3.03 6.12 0.00 -0.43 -5.05 105.19 111.54 3gj2 n GLY 174 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3gj2 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gj2 n SER 175 N 0.00 0.24 -3.89 1.61 3.41 -1.25 -4.80 113.62 108.93 3gj2 n SER 175 Ca 0.00 -1.46 -0.18 0.00 -0.26 0.00 0.00 58.87 56.96 3gj2 n SER 175 Cb 0.00 -0.75 -0.16 0.00 -0.26 0.00 0.00 64.21 63.04 3gj2 n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gj2 s VAL 176 N -3.13 0.43 -0.23 -3.33 1.01 -1.26 -0.67 120.40 113.22 3gj2 s VAL 176 Ca 0.58 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.39 3gj2 s VAL 176 Cb -0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 3gj2 s VAL 176 CO 0.40 0.19 0.08 -1.58 0.00 0.00 0.00 175.10 174.19 3gj2 s GLN 177 N 0.74 3.80 0.06 2.72 2.00 0.92 -4.92 119.66 124.98 3gj2 s GLN 177 Ca -0.09 -0.41 -0.17 0.00 -2.00 0.00 0.00 55.36 52.69 3gj2 s GLN 177 Cb -0.12 -3.32 -0.06 0.00 0.80 0.00 0.00 33.01 30.30 3gj2 s GLN 177 CO -0.00 -0.02 0.50 -0.51 -0.50 0.00 0.00 175.29 174.76 3gj2 s LEU 178 N 1.19 4.47 -0.27 3.68 1.43 -1.26 -0.33 118.68 127.58 3gj2 s LEU 178 Ca 0.05 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3gj2 s LEU 178 Cb -0.14 -2.85 0.08 0.00 0.03 0.00 0.00 46.19 43.31 3gj2 s LEU 178 CO 0.04 0.26 0.01 0.00 0.23 0.00 0.00 176.35 176.89 3gj2 s ALA 179 N -1.17 2.01 -0.21 4.21 0.00 -0.17 -0.91 121.76 125.53 3gj2 s ALA 179 Ca 0.29 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 3gj2 s ALA 179 Cb -0.18 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3gj2 s ALA 179 CO 0.17 -1.40 1.12 0.34 0.00 0.00 0.00 175.76 175.99 3gj2 s ASP 180 N 1.37 7.04 -0.20 0.00 2.15 -0.27 -0.55 116.67 126.22 3gj2 s ASP 180 Ca 0.01 1.50 -0.07 0.00 0.43 0.00 0.00 52.55 54.42 3gj2 s ASP 180 Cb -0.18 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 3gj2 s ASP 180 CO -0.11 -0.70 0.06 -1.00 -0.17 0.00 0.00 175.17 173.25 3gj2 s HIS 181 N 3.30 3.21 -0.16 -5.34 3.76 0.06 -0.79 115.29 119.32 3gj2 s HIS 181 Ca 0.48 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 55.36 3gj2 s HIS 181 Cb -0.17 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 3gj2 s HIS 181 CO 0.09 0.05 -0.10 0.71 -0.85 0.00 0.00 174.74 174.64 3gj2 s TYR 182 N 0.63 2.86 0.05 1.40 1.51 -0.55 -1.56 117.35 121.69 3gj2 s TYR 182 Ca 0.03 -0.80 0.05 0.00 -1.01 0.00 0.00 57.07 55.34 3gj2 s TYR 182 Cb -0.13 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 3gj2 s TYR 182 CO 0.01 -0.35 -0.14 -1.14 -1.11 0.00 0.00 175.55 172.82 3gj2 s GLN 183 N 0.77 0.92 -0.02 -0.62 0.74 -0.08 -1.53 119.66 119.86 3gj2 s GLN 183 Ca -0.04 -0.81 -0.01 0.00 0.05 0.00 0.00 55.36 54.55 3gj2 s GLN 183 Cb -0.15 -0.94 0.01 0.00 1.10 0.00 0.00 33.01 33.03 3gj2 s GLN 183 CO 0.01 0.23 0.04 -1.14 -0.55 0.00 0.00 175.29 173.88 3gj2 s GLN 184 N -1.27 0.03 -0.03 1.67 0.74 -0.58 -1.68 119.66 118.55 3gj2 s GLN 184 Ca 0.01 0.09 0.07 0.00 0.05 0.00 0.00 55.36 55.57 3gj2 s GLN 184 Cb -0.08 -0.03 -0.01 0.00 1.10 0.00 0.00 33.01 33.98 3gj2 s GLN 184 CO 0.01 -0.04 -0.22 -0.80 -0.55 0.00 0.00 175.29 173.69 3gj2 s ASN 185 N 0.24 2.63 -0.01 6.67 -0.87 -0.48 -0.96 114.94 122.15 3gj2 s ASN 185 Ca -0.02 -0.41 0.01 0.00 -1.57 0.00 0.00 52.86 50.87 3gj2 s ASN 185 Cb -0.03 -0.39 0.01 0.00 -0.02 0.00 0.00 41.25 40.82 3gj2 s ASN 185 CO -0.01 0.26 -0.02 -0.89 -2.57 0.00 0.00 177.10 173.87 3gj2 s THR 186 N -0.42 0.22 0.59 1.60 2.01 -0.37 -1.88 115.64 117.39 3gj2 s THR 186 Ca 0.06 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 3gj2 s THR 186 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 3gj2 s THR 186 CO 0.00 0.10 1.29 -2.84 -0.69 0.00 0.00 174.62 172.48 3gj2 s PRO 187 N 0.37 2.93 -0.06 4.92 0.02 -1.26 -0.47 135.00 141.45 3gj2 s PRO 187 Ca -0.04 2.06 -0.00 0.00 0.02 0.00 0.00 61.00 63.04 3gj2 s PRO 187 Cb -0.06 -2.04 -0.26 0.00 0.02 0.00 0.00 34.50 32.16 3gj2 s PRO 187 CO -0.01 -1.30 0.60 0.82 -0.33 0.00 0.00 177.00 176.78 3gj2 h ILE 188 N 1.02 0.85 -2.57 2.83 2.04 -1.46 -3.44 117.51 116.78 3gj2 h ILE 188 Ca -0.51 -2.58 -0.46 0.00 1.00 0.00 0.00 64.86 62.32 3gj2 h ILE 188 Cb 1.31 2.56 0.08 0.00 -0.74 0.00 0.00 36.82 40.03 3gj2 h ILE 188 CO 0.55 0.76 0.12 -0.83 0.00 0.00 0.00 178.15 178.75 3gj2 s GLY 189 N -5.26 1.77 0.07 5.37 0.00 -1.26 -5.01 107.32 103.00 3gj2 s GLY 189 Ca -0.13 -1.50 0.23 0.00 0.00 0.00 0.00 44.72 43.31 3gj2 s GLY 189 CO 0.81 -1.00 0.93 2.09 0.00 0.00 0.00 173.10 175.93 3gj2 n ASP 190 N -2.81 0.56 -4.66 1.64 5.68 -1.26 -4.99 116.55 110.71 3gj2 n ASP 190 Ca 0.13 -0.05 -0.30 0.00 -0.50 0.00 0.00 54.79 54.07 3gj2 n ASP 190 Cb 0.60 0.94 0.17 0.00 -1.14 0.00 0.00 41.12 41.69 3gj2 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3gj2 s GLY 191 N -3.98 1.63 0.31 6.12 0.00 -1.26 -4.98 107.32 105.15 3gj2 s GLY 191 Ca 0.01 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.57 3gj2 s GLY 191 CO 0.82 0.63 1.17 -4.14 0.00 0.00 0.00 173.10 171.58 3gj2 s PRO 192 N -4.75 4.50 0.42 2.90 0.02 -1.26 -5.04 135.00 131.78 3gj2 s PRO 192 Ca 0.65 1.93 0.07 0.00 0.02 0.00 0.00 61.00 63.67 3gj2 s PRO 192 Cb -0.21 -3.10 -0.06 0.00 0.02 0.00 0.00 34.50 31.15 3gj2 s PRO 192 CO 0.59 0.05 0.13 0.14 -0.33 0.00 0.00 177.00 177.57 3gj2 s VAL 193 N -1.18 2.14 -0.10 3.83 -7.23 -1.26 -4.87 120.40 111.73 3gj2 s VAL 193 Ca 0.47 -1.80 -0.21 0.00 -1.81 0.00 0.00 61.98 58.63 3gj2 s VAL 193 Cb -0.34 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 3gj2 s VAL 193 CO 0.44 0.00 0.60 -0.76 -0.31 0.00 0.00 175.10 175.07 3gj2 s LEU 194 N -3.86 4.29 -0.16 1.32 1.43 -1.26 -5.07 118.68 115.37 3gj2 s LEU 194 Ca 0.37 1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.43 3gj2 s LEU 194 Cb 0.05 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3gj2 s LEU 194 CO 0.20 -0.08 -0.01 -0.76 0.23 0.00 0.00 176.35 175.93 3gj2 s LEU 195 N 0.82 3.41 0.41 1.79 1.43 -1.26 -3.84 118.68 121.43 3gj2 s LEU 195 Ca 0.32 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3gj2 s LEU 195 Cb -0.16 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3gj2 s LEU 195 CO 0.14 0.19 0.60 -2.16 0.23 0.00 0.00 176.35 175.35 3gj2 s PRO 196 N 0.27 3.16 0.69 1.29 0.04 -1.26 -4.86 135.00 134.32 3gj2 s PRO 196 Ca -0.01 -0.56 -0.11 0.00 0.04 0.00 0.00 61.00 60.36 3gj2 s PRO 196 Cb -0.13 -2.63 0.01 0.00 0.04 0.00 0.00 34.50 31.78 3gj2 s PRO 196 CO 0.02 -0.12 1.06 -0.51 0.04 0.00 0.00 177.00 177.49 3gj2 s ASP 197 N -4.17 5.41 0.21 6.66 1.01 -1.26 -3.88 116.67 120.64 3gj2 s ASP 197 Ca 0.46 1.57 -0.32 0.00 0.71 0.00 0.00 52.55 54.97 3gj2 s ASP 197 Cb -0.10 -2.46 -0.14 0.00 1.01 0.00 0.00 42.92 41.24 3gj2 s ASP 197 CO 0.36 -1.42 1.44 0.59 0.21 0.00 0.00 175.17 176.35 3gj2 n ASN 198 N -3.11 2.76 -1.52 0.27 4.13 -1.26 -4.87 115.26 111.65 3gj2 n ASN 198 Ca 0.07 1.13 -0.02 0.00 1.68 0.00 0.00 54.58 57.44 3gj2 n ASN 198 Cb 0.54 -1.41 0.01 0.00 -1.54 0.00 0.00 39.78 37.37 3gj2 n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gj2 n HIS 199 N 2.32 -1.17 -3.93 3.10 1.44 -1.17 -4.72 115.22 111.08 3gj2 n HIS 199 Ca 0.13 -0.44 -0.09 0.00 -2.01 0.00 0.00 57.72 55.31 3gj2 n HIS 199 Cb 0.30 0.22 -0.09 0.00 0.12 0.00 0.00 29.99 30.54 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 -6.42 0.25 -0.21 -1.40 -0.85 -0.58 -0.51 117.35 107.62 3gj2 s TYR 200 Ca 0.05 -0.65 -0.07 0.00 -0.52 0.00 0.00 57.07 55.88 3gj2 s TYR 200 Cb -0.01 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 3gj2 s TYR 200 CO 0.03 -0.44 0.07 -0.51 -1.52 0.00 0.00 175.55 173.18 3gj2 s LEU 201 N -2.56 3.66 -0.61 -3.49 1.43 -0.07 -1.01 118.68 116.04 3gj2 s LEU 201 Ca 0.01 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 52.80 3gj2 s LEU 201 Cb 0.03 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3gj2 s LEU 201 CO -0.08 0.08 1.17 -0.55 0.23 0.00 0.00 176.35 177.19 3gj2 s SER 202 N 0.94 6.37 -0.04 2.29 0.15 0.19 -0.25 113.70 123.37 3gj2 s SER 202 Ca 0.04 -0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 3gj2 s SER 202 Cb -0.14 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3gj2 s SER 202 CO 0.03 -1.51 0.26 -1.00 1.20 0.00 0.00 173.24 172.22 3gj2 s HIS 203 N 4.92 3.62 0.04 3.44 3.76 -0.06 -1.27 115.29 129.73 3gj2 s HIS 203 Ca 0.39 0.65 0.03 0.00 -0.15 0.00 0.00 55.06 55.99 3gj2 s HIS 203 Cb -0.09 -2.04 -0.02 0.00 1.11 0.00 0.00 32.58 31.55 3gj2 s HIS 203 CO 0.22 0.66 -0.10 -0.65 -0.85 0.00 0.00 174.74 174.02 3gj2 s GLN 204 N -1.37 0.68 -0.10 1.40 -0.21 0.06 -1.87 119.66 118.25 3gj2 s GLN 204 Ca 0.22 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.85 3gj2 s GLN 204 Cb -0.14 -0.60 0.03 0.00 1.00 0.00 0.00 33.01 33.30 3gj2 s GLN 204 CO 0.11 0.14 0.27 -1.12 -2.12 0.00 0.00 175.29 172.57 3gj2 s SER 205 N -1.17 -0.29 -0.04 5.90 0.01 -1.26 -1.64 113.70 115.22 3gj2 s SER 205 Ca -0.03 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.80 3gj2 s SER 205 Cb -0.08 0.54 0.01 0.00 0.21 0.00 0.00 66.02 66.70 3gj2 s SER 205 CO 0.01 -0.11 -0.08 0.00 0.41 0.00 0.00 173.24 173.47 3gj2 s ALA 206 N 0.33 0.88 -0.11 1.44 0.00 0.65 -4.52 121.76 120.43 3gj2 s ALA 206 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 3gj2 s ALA 206 Cb -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 3gj2 s ALA 206 CO -0.01 0.10 0.05 -0.51 0.00 0.00 0.00 175.76 175.38 3gj2 s LEU 207 N 0.47 3.83 0.00 0.00 1.43 -1.26 -1.62 118.68 121.53 3gj2 s LEU 207 Ca -0.08 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 3gj2 s LEU 207 Cb -0.11 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 3gj2 s LEU 207 CO 0.01 0.35 0.23 -1.54 0.23 0.00 0.00 176.35 175.63 3gj2 n SER 208 N 2.36 -0.62 -4.22 2.29 3.41 0.13 -4.87 113.62 112.10 3gj2 n SER 208 Ca -0.19 -2.12 -0.20 0.00 -0.26 0.00 0.00 58.87 56.10 3gj2 n SER 208 Cb 0.54 1.24 -0.12 0.00 -0.26 0.00 0.00 64.21 65.60 3gj2 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gj2 s LYS 209 N -2.56 0.94 -0.44 4.33 -0.14 -1.26 -1.40 119.74 119.21 3gj2 s LYS 209 Ca 0.18 -1.05 -0.19 0.00 -1.36 0.00 0.00 55.97 53.55 3gj2 s LYS 209 Cb 0.00 -1.03 0.03 0.00 -1.68 0.00 0.00 37.83 35.15 3gj2 s LYS 209 CO 0.13 0.23 0.55 0.34 -0.76 0.00 0.00 175.35 175.85 3gj2 s ASP 210 N -1.86 6.25 0.61 2.83 -1.08 -1.26 -4.96 116.67 117.20 3gj2 s ASP 210 Ca 0.02 -0.57 0.29 0.00 -0.52 0.00 0.00 52.55 51.77 3gj2 s ASP 210 Cb -0.10 -2.27 1.54 0.00 -1.46 0.00 0.00 42.92 40.62 3gj2 s ASP 210 CO 0.03 -0.71 1.93 1.55 0.52 0.00 0.00 175.17 178.49 3gj2 h PRO 211 N 8.83 0.00 -0.01 4.34 0.13 -2.04 -0.75 132.00 142.50 3gj2 h PRO 211 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3gj2 h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3gj2 h PRO 211 CO 0.86 0.00 -0.13 0.09 -0.23 0.00 0.00 178.00 178.59 3gj2 n ASN 212 N -3.54 1.50 -4.62 1.44 5.03 -1.26 -4.86 115.26 108.94 3gj2 n ASN 212 Ca 0.05 -1.31 -0.40 0.00 0.87 0.00 0.00 54.58 53.79 3gj2 n ASN 212 Cb 0.55 0.09 -0.08 0.00 -1.02 0.00 0.00 39.78 39.32 3gj2 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3gj2 s GLU 213 N -2.23 4.08 0.24 3.52 2.56 -0.29 -4.94 118.70 121.64 3gj2 s GLU 213 Ca 0.30 0.28 0.22 0.00 0.00 0.00 0.00 54.97 55.77 3gj2 s GLU 213 Cb 0.20 -3.64 0.06 0.00 2.00 0.00 0.00 34.13 32.75 3gj2 s GLU 213 CO 0.42 -0.30 1.14 0.87 -0.56 0.00 0.00 175.26 176.83 3gj2 h LYS 214 N 7.96 0.00 -7.48 4.30 1.57 -1.89 -3.47 116.57 117.56 3gj2 h LYS 214 Ca -0.30 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.99 3gj2 h LYS 214 Cb 1.15 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.54 3gj2 h LYS 214 CO 0.70 0.01 0.40 1.03 -0.57 0.00 0.00 179.45 181.03 3gj2 s ARG 215 N -3.33 2.67 -0.03 3.15 0.52 -1.26 -4.98 118.95 115.69 3gj2 s ARG 215 Ca 0.01 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.38 3gj2 s ARG 215 Cb 0.09 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 3gj2 s ARG 215 CO 0.77 -1.17 1.22 0.34 0.02 0.00 0.00 175.30 176.48 3gj2 s ASP 216 N -4.31 7.04 0.26 0.23 2.15 -1.26 -4.96 116.67 115.82 3gj2 s ASP 216 Ca 0.59 1.87 -0.20 0.00 0.43 0.00 0.00 52.55 55.24 3gj2 s ASP 216 Cb -0.11 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3gj2 s ASP 216 CO 0.52 -0.57 0.68 -1.38 -0.17 0.00 0.00 175.17 174.25 3gj2 s HIS 217 N 2.02 -0.16 -0.08 -5.34 -3.43 -1.26 -1.36 115.29 105.68 3gj2 s HIS 217 Ca 0.57 -0.27 -0.04 0.00 -0.80 0.00 0.00 55.06 54.52 3gj2 s HIS 217 Cb -0.26 0.64 0.03 0.00 -1.43 0.00 0.00 32.58 31.56 3gj2 s HIS 217 CO 0.24 -1.18 0.18 1.41 -2.00 0.00 0.00 174.74 173.39 3gj2 s MET 218 N -3.92 0.15 -0.15 -0.38 1.75 -0.31 -4.97 119.30 111.48 3gj2 s MET 218 Ca 0.11 0.38 -0.09 0.00 -1.25 0.00 0.00 55.69 54.84 3gj2 s MET 218 Cb -0.05 -0.09 -0.05 0.00 2.84 0.00 0.00 34.83 37.49 3gj2 s MET 218 CO 0.05 -0.13 0.16 0.08 -0.65 0.00 0.00 175.02 174.54 3gj2 s VAL 219 N 0.90 5.43 -0.07 10.11 1.01 -0.49 -0.16 120.40 137.12 3gj2 s VAL 219 Ca -0.07 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.18 3gj2 s VAL 219 Cb -0.08 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3gj2 s VAL 219 CO -0.05 0.52 -0.09 -0.22 0.00 0.00 0.00 175.10 175.26 3gj2 s LEU 220 N -0.30 1.43 -0.13 3.92 2.96 0.12 -0.70 118.68 125.99 3gj2 s LEU 220 Ca 0.12 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3gj2 s LEU 220 Cb -0.12 -0.72 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 3gj2 s LEU 220 CO 0.02 -0.03 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.70 3gj2 s LEU 221 N 0.99 2.90 0.07 -0.68 2.96 -0.64 -0.92 118.68 123.35 3gj2 s LEU 221 Ca -0.09 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3gj2 s LEU 221 Cb -0.15 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3gj2 s LEU 221 CO 0.00 0.19 -0.13 -1.61 -1.32 0.00 0.00 176.35 173.48 3gj2 s GLU 222 N 0.21 0.76 -0.05 1.98 8.01 -0.52 -0.25 118.70 128.84 3gj2 s GLU 222 Ca -0.06 -0.92 0.01 0.00 0.01 0.00 0.00 54.97 54.02 3gj2 s GLU 222 Cb -0.15 -0.72 0.02 0.00 -4.31 0.00 0.00 34.13 28.97 3gj2 s GLU 222 CO 0.04 0.16 -0.06 -0.06 0.01 0.00 0.00 175.26 175.35 3gj2 s PHE 223 N -1.29 0.89 -0.03 1.61 0.08 -0.65 -1.35 117.98 117.23 3gj2 s PHE 223 Ca -0.04 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 3gj2 s PHE 223 Cb -0.10 -0.73 0.03 0.00 -0.57 0.00 0.00 43.02 41.65 3gj2 s PHE 223 CO 0.02 -0.19 0.02 0.08 -0.10 0.00 0.00 175.22 175.04 3gj2 s VAL 224 N 0.78 0.11 0.00 -0.44 1.01 -0.17 -0.76 120.40 120.93 3gj2 s VAL 224 Ca -0.12 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3gj2 s VAL 224 Cb -0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 3gj2 s VAL 224 CO 0.01 0.16 -0.02 0.42 0.00 0.00 0.00 175.10 175.66 3gj2 s THR 225 N 1.34 0.16 0.36 3.92 -4.23 -0.40 -1.22 115.64 115.58 3gj2 s THR 225 Ca -0.05 -0.13 -0.21 0.00 -1.18 0.00 0.00 61.69 60.11 3gj2 s THR 225 Cb -0.13 -0.15 -0.10 0.00 1.34 0.00 0.00 72.50 73.46 3gj2 s THR 225 CO -0.03 0.02 0.89 0.00 -0.54 0.00 0.00 174.62 174.97 3gj2 s ALA 226 N -0.12 3.17 0.37 3.99 0.00 -0.11 -0.63 121.76 128.41 3gj2 s ALA 226 Ca -0.00 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 3gj2 s ALA 226 Cb -0.01 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.08 3gj2 s ALA 226 CO -0.00 0.19 0.76 0.00 0.00 0.00 0.00 175.76 176.71 3gj2 s ALA 227 N -1.92 -0.71 0.00 0.00 0.00 -0.18 -4.58 121.76 114.37 3gj2 s ALA 227 Ca 0.56 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3gj2 s ALA 227 Cb -0.13 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.73 3gj2 s ALA 227 CO 0.18 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3gj2 n GLY 228 N -0.52 0.75 3.15 0.00 0.00 -1.26 -1.53 105.19 105.78 3gj2 n GLY 228 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3gj2 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj2 s ILE 229 N -2.13 1.74 -1.06 -0.61 1.01 -1.26 -4.80 121.20 114.10 3gj2 s ILE 229 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.90 3gj2 s ILE 229 Cb 0.00 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 41.01 3gj2 s ILE 229 CO 0.00 0.49 0.77 0.35 0.00 0.00 0.00 174.94 176.55