#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj1 h GLY 4 N 0.00 1.10 1.78 0.00 0.00 -1.76 -2.80 103.07 101.38 3gj1 h GLY 4 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3gj1 h GLY 4 CO 0.00 0.39 -0.04 0.83 0.00 0.00 0.00 176.54 177.72 3gj1 h GLU 5 N 1.04 0.28 0.00 4.80 5.08 -1.89 -2.52 114.58 121.36 3gj1 h GLU 5 Ca 0.29 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3gj1 h GLU 5 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gj1 h GLU 5 CO -0.07 0.34 0.00 0.93 -1.00 0.00 0.00 179.01 179.22 3gj1 h GLU 6 N 0.28 0.00 0.00 2.33 5.08 -1.88 -2.10 114.58 118.28 3gj1 h GLU 6 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gj1 h GLU 6 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3gj1 h GLU 6 CO 0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 3gj1 n LEU 7 N -2.31 0.00 -0.14 1.33 4.77 -0.95 -3.64 117.00 116.05 3gj1 n LEU 7 Ca 0.02 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.41 3gj1 n LEU 7 Cb 0.24 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3gj1 n LEU 7 CO 0.20 -0.11 0.39 0.49 -1.33 0.00 0.00 177.39 177.04 3gj1 n PHE 8 N -1.39 0.05 0.22 -1.77 3.72 -0.79 -4.73 117.46 112.76 3gj1 n PHE 8 Ca 0.08 -0.19 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 3gj1 n PHE 8 Cb 0.21 -0.02 0.64 0.00 -0.94 0.00 0.00 39.48 39.38 3gj1 n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3gj1 h THR 9 N 0.59 0.97 -2.00 4.37 1.35 -1.66 -3.36 112.91 113.16 3gj1 h THR 9 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3gj1 h THR 9 Cb 0.29 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3gj1 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3gj1 n GLY 10 N -1.55 5.48 3.70 5.82 0.00 -1.26 -4.74 105.19 112.64 3gj1 n GLY 10 Ca -0.01 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3gj1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gj1 s VAL 11 N 1.71 4.85 -0.10 1.61 1.01 -1.26 -4.41 120.40 123.81 3gj1 s VAL 11 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.05 3gj1 s VAL 11 Cb 0.00 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 3gj1 s VAL 11 CO 0.00 0.11 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 3gj1 s VAL 12 N 1.35 2.29 0.47 2.92 1.01 0.45 -4.95 120.40 123.93 3gj1 s VAL 12 Ca 0.50 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 3gj1 s VAL 12 Cb -0.20 -1.89 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 3gj1 s VAL 12 CO 0.24 0.55 1.16 -2.16 0.00 0.00 0.00 175.10 174.90 3gj1 s PRO 13 N 0.27 3.72 0.01 2.72 0.04 -1.26 -0.80 135.00 139.70 3gj1 s PRO 13 Ca -0.15 1.77 0.08 0.00 0.04 0.00 0.00 61.00 62.73 3gj1 s PRO 13 Cb -0.17 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3gj1 s PRO 13 CO 0.08 -0.58 -0.24 0.42 0.04 0.00 0.00 177.00 176.72 3gj1 s ILE 14 N -1.56 1.90 -0.03 0.56 1.01 0.06 -1.05 121.20 122.09 3gj1 s ILE 14 Ca 0.64 -1.13 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3gj1 s ILE 14 Cb -0.28 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3gj1 s ILE 14 CO 0.34 0.44 -0.17 -0.22 0.00 0.00 0.00 174.94 175.33 3gj1 s LEU 15 N -0.81 1.95 -0.11 2.97 2.96 -0.28 -1.76 118.68 123.61 3gj1 s LEU 15 Ca 0.09 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3gj1 s LEU 15 Cb -0.09 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.68 3gj1 s LEU 15 CO 0.00 0.17 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.34 3gj1 s VAL 16 N -0.11 1.65 -0.09 1.68 1.01 -0.08 -0.34 120.40 124.12 3gj1 s VAL 16 Ca -0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3gj1 s VAL 16 Cb -0.10 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gj1 s VAL 16 CO 0.01 0.47 -0.17 -1.61 0.00 0.00 0.00 175.10 173.80 3gj1 s GLU 17 N 0.80 2.32 -0.05 2.72 0.41 -0.48 0.61 118.70 125.03 3gj1 s GLU 17 Ca -0.10 -0.62 0.03 0.00 -0.41 0.00 0.00 54.97 53.88 3gj1 s GLU 17 Cb -0.16 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 3gj1 s GLU 17 CO 0.01 0.05 -0.13 -1.17 -0.49 0.00 0.00 175.26 173.52 3gj1 s LEU 18 N 0.66 1.78 -0.18 1.80 0.20 -0.14 -0.13 118.68 122.67 3gj1 s LEU 18 Ca -0.13 -0.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 3gj1 s LEU 18 Cb -0.16 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.78 3gj1 s LEU 18 CO 0.04 0.09 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.27 3gj1 s ASP 19 N 0.32 3.98 0.26 3.68 1.01 -0.76 -1.30 116.67 123.86 3gj1 s ASP 19 Ca -0.08 -0.42 0.11 0.00 0.71 0.00 0.00 52.55 52.87 3gj1 s ASP 19 Cb -0.13 -1.64 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 3gj1 s ASP 19 CO 0.02 0.05 -0.18 -0.83 0.21 0.00 0.00 175.17 174.44 3gj1 s GLY 20 N 1.05 1.75 -0.28 0.21 0.00 -0.28 -0.83 107.32 108.92 3gj1 s GLY 20 Ca -0.00 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.91 3gj1 s GLY 20 CO -0.02 -1.90 0.53 -0.35 0.00 0.00 0.00 173.10 171.35 3gj1 s ASP 21 N -3.45 -0.86 -0.26 1.64 -1.08 -0.68 -1.74 116.67 110.23 3gj1 s ASP 21 Ca 0.28 0.46 -0.03 0.00 -0.52 0.00 0.00 52.55 52.74 3gj1 s ASP 21 Cb -0.03 1.78 0.02 0.00 -1.46 0.00 0.00 42.92 43.23 3gj1 s ASP 21 CO 0.12 -0.29 -0.03 -0.69 0.52 0.00 0.00 175.17 174.81 3gj1 s VAL 22 N 2.75 3.11 -1.49 1.11 1.01 -0.51 0.40 120.40 126.78 3gj1 s VAL 22 Ca 0.16 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 3gj1 s VAL 22 Cb -0.14 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.70 3gj1 s VAL 22 CO -0.22 0.15 0.84 0.59 0.00 0.00 0.00 175.10 176.46 3gj1 n ASN 23 N 4.71 -3.35 0.00 3.32 4.13 0.27 -0.82 115.26 123.52 3gj1 n ASN 23 Ca -0.16 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.26 3gj1 n ASN 23 Cb 0.47 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.00 3gj1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gj1 n GLY 24 N -1.66 2.47 3.62 7.41 0.00 -1.26 -4.98 105.19 110.78 3gj1 n GLY 24 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3gj1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gj1 s HIS 25 N -2.80 3.19 -0.13 1.61 3.76 0.00 -5.02 115.29 115.90 3gj1 s HIS 25 Ca 0.00 0.91 -0.08 0.00 -0.15 0.00 0.00 55.06 55.74 3gj1 s HIS 25 Cb 0.00 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 3gj1 s HIS 25 CO 0.00 -0.62 0.16 0.15 -0.85 0.00 0.00 174.74 173.58 3gj1 s LYS 26 N 3.14 3.63 0.19 1.40 1.02 -1.26 -1.42 119.74 126.45 3gj1 s LYS 26 Ca 0.36 -0.11 -0.09 0.00 0.02 0.00 0.00 55.97 56.15 3gj1 s LYS 26 Cb -0.14 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 3gj1 s LYS 26 CO 0.13 0.67 0.32 -0.59 -0.92 0.00 0.00 175.35 174.96 3gj1 s PHE 27 N -0.72 0.49 0.06 3.18 -0.12 -0.71 -4.99 117.98 115.17 3gj1 s PHE 27 Ca 0.14 -0.83 0.03 0.00 -0.05 0.00 0.00 56.93 56.22 3gj1 s PHE 27 Cb -0.12 -0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.19 3gj1 s PHE 27 CO 0.03 -0.79 -0.09 -1.12 -0.05 0.00 0.00 175.22 173.20 3gj1 s SER 28 N -3.01 1.11 -0.04 1.98 0.01 -1.26 -1.13 113.70 111.36 3gj1 s SER 28 Ca 0.22 -0.68 -0.01 0.00 1.31 0.00 0.00 55.95 56.80 3gj1 s SER 28 Cb 0.03 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.31 3gj1 s SER 28 CO 0.04 -0.24 0.02 -0.69 0.41 0.00 0.00 173.24 172.78 3gj1 s VAL 29 N -1.90 0.14 -0.11 3.43 1.01 -0.42 -1.58 120.40 120.96 3gj1 s VAL 29 Ca -0.03 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3gj1 s VAL 29 Cb -0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3gj1 s VAL 29 CO -0.00 0.17 -0.04 -0.44 0.00 0.00 0.00 175.10 174.79 3gj1 s SER 30 N 1.49 4.81 0.10 3.32 0.01 -0.34 -0.97 113.70 122.12 3gj1 s SER 30 Ca -0.03 -0.04 0.06 0.00 1.31 0.00 0.00 55.95 57.25 3gj1 s SER 30 Cb -0.13 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 3gj1 s SER 30 CO -0.03 0.27 -0.16 -0.83 0.41 0.00 0.00 173.24 172.91 3gj1 s GLY 31 N -0.27 1.04 -0.03 3.44 0.00 0.20 -1.04 107.32 110.65 3gj1 s GLY 31 Ca 0.05 -1.15 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 3gj1 s GLY 31 CO 0.02 -1.18 0.18 -0.54 0.00 0.00 0.00 173.10 171.58 3gj1 s GLU 32 N -2.05 0.39 0.00 2.90 2.02 -0.56 -0.90 118.70 120.50 3gj1 s GLU 32 Ca 0.03 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.94 3gj1 s GLU 32 Cb -0.09 0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.31 3gj1 s GLU 32 CO 0.03 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3gj1 n GLY 33 N 2.10 -1.00 3.44 -1.39 0.00 -0.72 -0.98 105.19 106.65 3gj1 n GLY 33 Ca -0.18 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 3gj1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gj1 s GLU 34 N -0.17 1.28 0.10 1.61 -1.05 -0.61 -0.76 118.70 119.10 3gj1 s GLU 34 Ca 0.00 -0.67 0.03 0.00 -0.15 0.00 0.00 54.97 54.19 3gj1 s GLU 34 Cb 0.00 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.19 3gj1 s GLU 34 CO 0.00 -0.54 -0.10 0.20 0.95 0.00 0.00 175.26 175.77 3gj1 s GLY 35 N -2.81 0.83 -0.42 -3.83 0.00 0.02 -2.05 107.32 99.06 3gj1 s GLY 35 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.59 3gj1 s GLY 35 CO -0.09 -1.27 0.26 -0.35 0.00 0.00 0.00 173.10 171.65 3gj1 s ASP 36 N -2.49 3.24 0.56 1.64 -1.08 -0.06 -0.41 116.67 118.06 3gj1 s ASP 36 Ca 0.06 -2.61 0.24 0.00 -0.52 0.00 0.00 52.55 49.72 3gj1 s ASP 36 Cb -0.02 -0.80 1.59 0.00 -1.46 0.00 0.00 42.92 42.23 3gj1 s ASP 36 CO -0.00 -0.26 2.21 0.00 0.52 0.00 0.00 175.17 177.64 3gj1 h ALA 37 N 6.62 1.71 -0.49 3.66 0.00 -1.73 -0.54 119.26 128.48 3gj1 h ALA 37 Ca 0.05 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.03 3gj1 h ALA 37 Cb 0.93 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3gj1 h ALA 37 CO 0.41 0.01 0.33 1.15 0.00 0.00 0.00 179.25 181.15 3gj1 h THR 38 N 0.00 0.93 -0.00 0.00 2.02 -1.85 -2.11 112.91 111.90 3gj1 h THR 38 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3gj1 h THR 38 Cb 0.01 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3gj1 h THR 38 CO 0.00 0.06 -0.57 -1.22 0.37 0.00 0.00 175.52 174.17 3gj1 n TYR 39 N -4.47 0.00 -1.64 3.16 4.01 -0.49 -4.93 117.16 112.80 3gj1 n TYR 39 Ca 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.75 3gj1 n TYR 39 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.32 3gj1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gj1 n GLY 40 N 1.27 0.50 3.76 2.72 0.00 -0.33 -4.79 105.19 108.32 3gj1 n GLY 40 Ca 0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 3gj1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gj1 s LYS 41 N -3.40 3.47 0.03 1.61 2.20 -0.85 -0.58 119.74 122.21 3gj1 s LYS 41 Ca 0.00 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 3gj1 s LYS 41 Cb 0.00 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 3gj1 s LYS 41 CO 0.00 0.63 -0.10 -0.51 -0.36 0.00 0.00 175.35 175.01 3gj1 s LEU 42 N -0.62 2.15 -0.04 5.43 1.43 0.57 -0.89 118.68 126.72 3gj1 s LEU 42 Ca 0.12 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 3gj1 s LEU 42 Cb -0.12 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.77 3gj1 s LEU 42 CO 0.02 -0.04 0.07 0.42 0.23 0.00 0.00 176.35 177.05 3gj1 s THR 43 N -0.83 -0.11 0.02 5.49 -4.23 -0.87 -1.06 115.64 114.04 3gj1 s THR 43 Ca -0.02 0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 3gj1 s THR 43 Cb -0.07 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.60 3gj1 s THR 43 CO 0.01 0.15 0.03 -0.76 -0.54 0.00 0.00 174.62 173.51 3gj1 s LEU 44 N 1.91 2.01 -0.04 4.79 1.43 0.42 -1.57 118.68 127.64 3gj1 s LEU 44 Ca 0.01 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3gj1 s LEU 44 Cb -0.12 0.32 0.01 0.00 0.03 0.00 0.00 46.19 46.42 3gj1 s LEU 44 CO -0.03 -0.36 -0.11 -0.75 0.23 0.00 0.00 176.35 175.33 3gj1 s LYS 45 N -1.67 1.25 0.00 1.70 2.20 -0.15 -0.80 119.74 122.27 3gj1 s LYS 45 Ca -0.13 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.18 3gj1 s LYS 45 Cb -0.08 -1.12 -0.02 0.00 -1.51 0.00 0.00 37.83 35.10 3gj1 s LYS 45 CO -0.01 0.11 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.79 3gj1 s PHE 46 N 0.31 2.08 -0.11 4.03 0.08 0.59 -1.50 117.98 123.47 3gj1 s PHE 46 Ca -0.06 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.62 3gj1 s PHE 46 Cb -0.11 -1.31 0.01 0.00 -0.57 0.00 0.00 43.02 41.04 3gj1 s PHE 46 CO 0.01 0.02 -0.20 0.42 -0.10 0.00 0.00 175.22 175.37 3gj1 s ILE 47 N -0.64 1.82 -0.46 0.64 -1.09 -0.21 -1.53 121.20 119.73 3gj1 s ILE 47 Ca 0.09 -0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 57.38 3gj1 s ILE 47 Cb -0.09 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 3gj1 s ILE 47 CO 0.00 0.50 1.53 0.00 -1.23 0.00 0.00 174.94 175.74 3gj1 n THR 49 N 7.09 0.45 1.23 0.00 -2.24 -0.62 -3.22 114.28 116.97 3gj1 n THR 49 Ca 0.17 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 3gj1 n THR 49 Cb 0.49 -0.35 0.30 0.00 -2.10 0.00 0.00 70.33 68.66 3gj1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gj1 n THR 50 N -2.14 0.00 0.00 4.28 -2.24 -1.25 -4.99 114.28 107.94 3gj1 n THR 50 Ca 0.05 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3gj1 n THR 50 Cb 0.43 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 3gj1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj1 n GLY 51 N 1.30 0.44 3.80 3.38 0.00 -1.20 -5.00 105.19 107.91 3gj1 n GLY 51 Ca 0.14 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 3gj1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj1 s LYS 52 N 0.00 4.40 -0.20 1.61 -0.14 -1.26 -4.48 119.74 119.67 3gj1 s LYS 52 Ca 0.00 1.04 -0.29 0.00 -1.36 0.00 0.00 55.97 55.35 3gj1 s LYS 52 Cb 0.00 -2.95 0.00 0.00 -1.68 0.00 0.00 37.83 33.21 3gj1 s LYS 52 CO 0.00 0.41 1.10 -1.17 -0.76 0.00 0.00 175.35 174.93 3gj1 s LEU 53 N -1.81 4.13 0.00 3.17 2.96 -1.26 -4.94 118.68 120.94 3gj1 s LEU 53 Ca 0.43 1.48 0.19 0.00 -0.22 0.00 0.00 54.13 56.01 3gj1 s LEU 53 Cb -0.19 -3.54 1.09 0.00 0.50 0.00 0.00 46.19 44.05 3gj1 s LEU 53 CO 0.23 -0.68 1.56 -0.81 -1.32 0.00 0.00 176.35 175.33 3gj1 n PRO 54 N 6.29 0.49 -4.26 0.98 -0.04 -1.26 -4.78 135.00 132.42 3gj1 n PRO 54 Ca 0.12 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.48 3gj1 n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 3gj1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gj1 s VAL 55 N -2.19 0.80 0.24 0.52 -7.23 -1.26 -4.47 120.40 106.81 3gj1 s VAL 55 Ca 0.25 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.13 3gj1 s VAL 55 Cb 0.13 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 3gj1 s VAL 55 CO 0.24 -0.45 1.05 -2.84 -0.31 0.00 0.00 175.10 172.79 3gj1 s PRO 56 N -3.89 4.69 0.26 4.82 0.02 -1.26 -4.94 135.00 134.70 3gj1 s PRO 56 Ca 0.25 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.84 3gj1 s PRO 56 Cb 0.06 -3.24 0.38 0.00 0.02 0.00 0.00 34.50 31.72 3gj1 s PRO 56 CO 0.05 0.27 1.56 -1.49 -0.33 0.00 0.00 177.00 177.06 3gj1 h TRP 57 N 4.24 -0.71 -0.00 6.54 4.06 -1.97 0.05 115.95 128.15 3gj1 h TRP 57 Ca -0.46 0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.59 3gj1 h TRP 57 Cb 1.21 0.47 -0.00 0.00 -1.00 0.00 0.00 29.16 29.83 3gj1 h TRP 57 CO 0.60 -0.42 0.04 -1.35 -3.56 0.00 0.00 178.44 173.75 3gj1 h PRO 58 N -0.00 0.00 0.00 0.49 0.11 -1.89 -1.08 132.00 129.63 3gj1 h PRO 58 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3gj1 h PRO 58 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 3gj1 h PRO 58 CO -1.01 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 178.57 3gj1 h THR 59 N 0.00 0.00 -0.18 -1.15 1.35 -1.36 -2.95 112.91 108.62 3gj1 h THR 59 Ca 0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3gj1 h THR 59 Cb 0.07 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3gj1 h THR 59 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3gj1 n LEU 60 N -2.70 3.17 -0.09 3.87 4.77 -0.41 -4.64 117.00 120.96 3gj1 n LEU 60 Ca 0.02 -1.21 -0.10 0.00 -0.03 0.00 0.00 56.01 54.68 3gj1 n LEU 60 Cb 0.29 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3gj1 n LEU 60 CO 0.25 0.60 0.88 0.58 -1.33 0.00 0.00 177.39 178.37 3gj1 h VAL 61 N 4.53 1.18 0.00 4.08 2.07 -1.58 -1.57 116.25 124.96 3gj1 h VAL 61 Ca 0.00 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3gj1 h VAL 61 Cb 0.98 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3gj1 h VAL 61 CO 0.00 0.19 -0.19 0.71 0.02 0.00 0.00 177.57 178.29 3gj1 h THR 62 N 0.32 1.03 0.02 2.57 1.35 -1.82 -2.70 112.91 113.67 3gj1 h THR 62 Ca 0.10 -0.69 -0.14 0.00 -0.55 0.00 0.00 66.41 65.13 3gj1 h THR 62 Cb 0.19 1.38 0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3gj1 h THR 62 CO -0.01 0.19 -0.55 0.74 -0.25 0.00 0.00 175.52 175.65 3gj1 h THR 63 N 0.00 1.47 0.00 6.82 2.02 -1.71 -3.45 112.91 118.05 3gj1 h THR 63 Ca -0.00 -2.11 -0.39 0.00 0.77 0.00 0.00 66.41 64.67 3gj1 h THR 63 Cb 0.37 2.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 3gj1 h THR 63 CO 0.03 0.60 2.53 0.49 0.37 0.00 0.00 175.52 179.54 3gj1 n PHE 64 N -4.27 1.37 0.00 3.16 3.72 -0.65 -5.03 117.46 115.76 3gj1 n PHE 64 Ca -0.11 -2.01 0.00 0.00 -0.05 0.00 0.00 57.45 55.28 3gj1 n PHE 64 Cb 0.65 -1.73 0.00 0.00 -0.94 0.00 0.00 39.48 37.47 3gj1 n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3gj1 n VAL 68 N 3.99 0.00 0.48 -4.37 0.24 -1.26 -4.98 118.33 112.42 3gj1 n VAL 68 Ca 0.47 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.83 3gj1 n VAL 68 Cb 0.18 0.00 0.28 0.00 -1.47 0.00 0.00 33.84 32.83 3gj1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gj1 n GLN 69 N 0.00 0.06 0.23 7.34 6.02 -1.26 -1.75 117.38 128.02 3gj1 n GLN 69 Ca 0.00 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.38 3gj1 n GLN 69 Cb 0.00 -1.50 0.72 0.00 1.02 0.00 0.00 30.24 30.48 3gj1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj1 n PHE 71 N -2.49 0.45 -2.11 0.00 3.72 -0.72 -4.72 117.46 111.59 3gj1 n PHE 71 Ca -0.02 -0.22 -0.38 0.00 -0.05 0.00 0.00 57.45 56.78 3gj1 n PHE 71 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3gj1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3gj1 s SER 72 N -1.19 5.97 -0.36 4.37 0.01 -0.82 -4.13 113.70 117.54 3gj1 s SER 72 Ca 0.29 2.47 -0.28 0.00 1.31 0.00 0.00 55.95 59.75 3gj1 s SER 72 Cb 0.16 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.79 3gj1 s SER 72 CO 0.22 -1.07 1.02 -0.60 0.41 0.00 0.00 173.24 173.22 3gj1 s ARG 73 N -2.68 3.93 -0.17 12.44 3.52 -0.52 -4.79 118.95 130.68 3gj1 s ARG 73 Ca 0.65 0.80 -0.15 0.00 -0.13 0.00 0.00 55.73 56.89 3gj1 s ARG 73 Cb -0.33 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 3gj1 s ARG 73 CO 0.40 -0.98 0.35 0.71 -0.81 0.00 0.00 175.30 174.97 3gj1 s TYR 74 N 3.69 3.44 0.65 5.12 1.51 -1.26 -0.21 117.35 130.29 3gj1 s TYR 74 Ca 0.43 0.65 -0.17 0.00 -1.01 0.00 0.00 57.07 56.96 3gj1 s TYR 74 Cb -0.11 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.29 3gj1 s TYR 74 CO 0.19 0.15 1.07 -2.30 -1.11 0.00 0.00 175.55 173.56 3gj1 n PRO 75 N 3.85 0.85 -0.28 -1.71 -0.02 -1.26 -4.71 135.00 131.72 3gj1 n PRO 75 Ca -0.10 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 3gj1 n PRO 75 Cb 0.52 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.81 3gj1 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gj1 h ASP 76 N 0.28 -0.66 0.43 2.55 3.45 -2.00 0.98 116.42 121.45 3gj1 h ASP 76 Ca -0.49 0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.20 3gj1 h ASP 76 Cb 1.35 0.47 0.00 0.00 -0.56 0.00 0.00 39.33 40.59 3gj1 h ASP 76 CO 0.50 -0.26 0.00 0.00 -1.57 0.00 0.00 179.24 177.92 3gj1 n HIS 77 N -5.49 0.45 0.41 4.55 1.44 -1.26 -2.53 115.22 112.79 3gj1 n HIS 77 Ca 0.13 0.20 0.06 0.00 -2.01 0.00 0.00 57.72 56.09 3gj1 n HIS 77 Cb 0.44 -0.81 0.06 0.00 0.12 0.00 0.00 29.99 29.80 3gj1 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3gj1 n MET 78 N -1.93 0.91 -0.11 -1.40 2.81 0.32 -4.60 117.12 113.12 3gj1 n MET 78 Ca 0.02 -1.31 0.25 0.00 -1.81 0.00 0.00 57.70 54.85 3gj1 n MET 78 Cb 0.15 -1.23 0.71 0.00 -0.71 0.00 0.00 33.22 32.13 3gj1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gj1 h LYS 79 N 2.29 0.01 0.00 0.03 1.57 -1.26 -0.95 116.57 118.26 3gj1 h LYS 79 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj1 h LYS 79 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3gj1 h LYS 79 CO 0.00 0.01 0.00 0.07 -0.57 0.00 0.00 179.45 178.96 3gj1 h ARG 80 N 0.01 0.00 -0.13 3.15 0.11 -1.84 -2.24 114.38 113.45 3gj1 h ARG 80 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3gj1 h ARG 80 Cb 1.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.51 3gj1 h ARG 80 CO -0.01 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.78 3gj1 n HIS 81 N -2.45 0.16 -2.76 4.08 8.25 -0.36 -4.78 115.22 117.35 3gj1 n HIS 81 Ca 0.04 -0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 3gj1 n HIS 81 Cb 0.35 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 3gj1 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gj1 s ASP 82 N -1.66 6.89 0.38 0.41 -1.08 -0.84 -4.56 116.67 116.22 3gj1 s ASP 82 Ca 0.33 -2.56 0.06 0.00 -0.52 0.00 0.00 52.55 49.86 3gj1 s ASP 82 Cb 0.18 -2.49 0.76 0.00 -1.46 0.00 0.00 42.92 39.91 3gj1 s ASP 82 CO 0.28 -1.01 2.00 0.15 0.52 0.00 0.00 175.17 177.10 3gj1 h PHE 83 N 7.69 0.54 -0.51 -5.34 3.57 -1.87 -2.90 116.94 118.13 3gj1 h PHE 83 Ca 0.35 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 3gj1 h PHE 83 Cb 0.90 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 3gj1 h PHE 83 CO 1.26 0.40 -0.11 0.74 -2.23 0.00 0.00 178.31 178.37 3gj1 h PHE 84 N 0.55 1.05 0.12 0.41 0.04 -1.91 -2.64 116.94 114.56 3gj1 h PHE 84 Ca 0.14 -0.21 -0.30 0.00 2.80 0.00 0.00 57.97 60.40 3gj1 h PHE 84 Cb 0.06 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.95 3gj1 h PHE 84 CO 0.00 0.99 -1.46 0.87 -0.60 0.00 0.00 178.31 178.12 3gj1 h LYS 85 N 0.84 0.26 -1.01 1.51 1.57 -1.84 -3.30 116.57 114.60 3gj1 h LYS 85 Ca 0.13 -0.44 0.23 0.00 -1.87 0.00 0.00 60.65 58.71 3gj1 h LYS 85 Cb 0.65 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.03 3gj1 h LYS 85 CO 0.05 1.14 0.63 0.66 -0.57 0.00 0.00 179.45 181.35 3gj1 h SER 86 N 0.07 0.57 0.97 0.86 4.64 -1.43 0.12 113.55 119.36 3gj1 h SER 86 Ca -0.21 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3gj1 h SER 86 Cb 2.01 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 3gj1 h SER 86 CO 0.17 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.28 3gj1 n ALA 87 N -2.41 1.92 -1.99 5.18 0.00 -1.00 -4.66 120.51 117.54 3gj1 n ALA 87 Ca 0.24 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 3gj1 n ALA 87 Cb 0.75 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3gj1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gj1 s MET 88 N -3.19 3.68 0.33 0.00 1.00 0.41 -1.53 119.30 120.00 3gj1 s MET 88 Ca 0.07 0.64 0.25 0.00 0.00 0.00 0.00 55.69 56.65 3gj1 s MET 88 Cb 0.11 -2.19 0.65 0.00 0.00 0.00 0.00 34.83 33.39 3gj1 s MET 88 CO 0.46 -0.37 1.71 -1.00 0.00 0.00 0.00 175.02 175.82 3gj1 h PRO 89 N 0.23 0.00 -0.88 2.03 0.13 -1.87 -3.35 132.00 128.29 3gj1 h PRO 89 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3gj1 h PRO 89 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 3gj1 h PRO 89 CO 0.62 0.00 0.58 0.93 -0.23 0.00 0.00 178.00 179.90 3gj1 h GLU 90 N 0.00 1.01 0.00 0.86 3.07 -1.91 -2.51 114.58 115.11 3gj1 h GLU 90 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3gj1 h GLU 90 Cb 0.82 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 3gj1 h GLU 90 CO 0.00 0.67 0.00 0.41 -1.40 0.00 0.00 179.01 178.69 3gj1 n GLY 91 N -1.40 -1.35 3.04 -3.84 0.00 -0.58 -4.74 105.19 96.31 3gj1 n GLY 91 Ca 0.13 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 3gj1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gj1 s TYR 92 N -0.49 0.30 -0.00 1.61 -0.85 -0.65 -0.98 117.35 116.30 3gj1 s TYR 92 Ca 0.00 -0.64 -0.20 0.00 -0.52 0.00 0.00 57.07 55.71 3gj1 s TYR 92 Cb 0.00 -0.22 -0.05 0.00 0.38 0.00 0.00 41.96 42.06 3gj1 s TYR 92 CO 0.00 -0.27 0.58 0.08 -1.52 0.00 0.00 175.55 174.42 3gj1 s VAL 93 N -2.26 4.91 -0.09 -3.49 1.01 0.11 -1.35 120.40 119.25 3gj1 s VAL 93 Ca -0.08 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.15 3gj1 s VAL 93 Cb -0.04 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3gj1 s VAL 93 CO -0.04 0.43 -0.20 -1.58 0.00 0.00 0.00 175.10 173.71 3gj1 s GLN 94 N -0.23 2.60 -0.04 2.72 0.74 0.28 -1.38 119.66 124.35 3gj1 s GLN 94 Ca 0.31 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.02 3gj1 s GLN 94 Cb -0.18 -2.02 0.00 0.00 1.10 0.00 0.00 33.01 31.92 3gj1 s GLN 94 CO 0.17 0.11 -0.12 -1.21 -0.55 0.00 0.00 175.29 173.69 3gj1 s GLU 95 N 0.51 1.38 0.04 1.67 2.02 0.03 -0.24 118.70 124.10 3gj1 s GLU 95 Ca -0.16 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 3gj1 s GLU 95 Cb -0.17 -1.21 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 3gj1 s GLU 95 CO 0.06 0.12 -0.02 1.03 0.02 0.00 0.00 175.26 176.47 3gj1 s ARG 96 N 0.31 0.51 -0.05 1.61 0.52 -0.73 -1.38 118.95 119.74 3gj1 s ARG 96 Ca -0.07 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.21 3gj1 s ARG 96 Cb -0.12 0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 3gj1 s ARG 96 CO 0.02 -0.09 -0.17 0.95 0.02 0.00 0.00 175.30 176.03 3gj1 s THR 97 N -2.97 2.85 -0.14 0.02 -4.23 -0.67 -1.19 115.64 109.31 3gj1 s THR 97 Ca -0.02 -0.80 -0.00 0.00 -1.18 0.00 0.00 61.69 59.69 3gj1 s THR 97 Cb 0.01 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.78 3gj1 s THR 97 CO -0.07 0.58 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.86 3gj1 s ILE 98 N -0.62 1.32 -0.33 2.99 1.01 0.13 -2.09 121.20 123.61 3gj1 s ILE 98 Ca 0.09 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 3gj1 s ILE 98 Cb -0.11 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.08 3gj1 s ILE 98 CO 0.01 0.40 0.14 -0.55 0.00 0.00 0.00 174.94 174.93 3gj1 s SER 99 N 1.58 5.43 -0.16 3.58 0.15 0.01 -0.65 113.70 123.64 3gj1 s SER 99 Ca 0.05 -0.84 -0.22 0.00 0.70 0.00 0.00 55.95 55.64 3gj1 s SER 99 Cb -0.13 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 3gj1 s SER 99 CO -0.09 -0.27 0.66 -0.36 1.20 0.00 0.00 173.24 174.37 3gj1 s PHE 100 N 1.52 3.43 0.25 3.44 0.08 -0.94 0.13 117.98 125.89 3gj1 s PHE 100 Ca 0.02 1.03 -0.31 0.00 0.12 0.00 0.00 56.93 57.79 3gj1 s PHE 100 Cb -0.18 -2.81 -0.12 0.00 -0.57 0.00 0.00 43.02 39.34 3gj1 s PHE 100 CO 0.05 -0.11 1.64 0.21 -0.10 0.00 0.00 175.22 176.91 3gj1 s LYS 101 N 1.64 4.13 -1.66 0.44 2.36 -0.53 -1.73 119.74 124.38 3gj1 s LYS 101 Ca 0.31 2.58 0.00 0.00 -2.55 0.00 0.00 55.97 56.31 3gj1 s LYS 101 Cb -0.16 -3.05 0.00 0.00 -1.05 0.00 0.00 37.83 33.57 3gj1 s LYS 101 CO 0.12 -0.68 0.00 -0.25 1.55 0.00 0.00 175.35 176.09 3gj1 n ASP 102 N 2.95 -5.56 -0.20 1.43 8.00 -1.26 -4.90 116.55 117.02 3gj1 n ASP 102 Ca 0.11 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3gj1 n ASP 102 Cb 0.37 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 3gj1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gj1 n ASP 103 N -1.69 0.00 -2.06 -2.24 -0.08 -0.71 -4.97 116.55 104.80 3gj1 n ASP 103 Ca -0.23 -0.20 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 3gj1 n ASP 103 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 3gj1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gj1 n GLY 104 N 0.00 -0.73 3.09 0.27 0.00 -1.20 -4.57 105.19 102.05 3gj1 n GLY 104 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3gj1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj1 s ASN 105 N -1.00 0.28 0.02 1.61 2.20 -0.88 -2.22 114.94 114.96 3gj1 s ASN 105 Ca 0.00 -0.68 0.01 0.00 -0.94 0.00 0.00 52.86 51.25 3gj1 s ASN 105 Cb 0.00 0.20 -0.04 0.00 -2.00 0.00 0.00 41.25 39.41 3gj1 s ASN 105 CO 0.00 -0.51 0.07 -0.31 -2.94 0.00 0.00 177.10 173.41 3gj1 s TYR 106 N -2.89 3.23 -0.09 1.54 2.02 0.18 -1.58 117.35 119.76 3gj1 s TYR 106 Ca -0.03 0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 3gj1 s TYR 106 Cb 0.00 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3gj1 s TYR 106 CO -0.06 0.53 -0.16 0.15 -1.57 0.00 0.00 175.55 174.44 3gj1 s LYS 107 N -1.89 2.92 0.01 -0.62 1.02 0.41 0.18 119.74 121.77 3gj1 s LYS 107 Ca 0.24 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.54 3gj1 s LYS 107 Cb -0.12 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 3gj1 s LYS 107 CO 0.16 0.39 -0.14 0.95 -0.92 0.00 0.00 175.35 175.79 3gj1 s THR 108 N -0.12 1.07 -0.09 2.17 -4.23 -0.33 -1.17 115.64 112.94 3gj1 s THR 108 Ca -0.02 -0.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 3gj1 s THR 108 Cb -0.14 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.80 3gj1 s THR 108 CO 0.04 0.20 -0.12 -0.60 -0.54 0.00 0.00 174.62 173.59 3gj1 s ARG 109 N -0.59 1.82 0.00 3.99 3.52 -0.59 -1.77 118.95 125.33 3gj1 s ARG 109 Ca 0.04 -0.43 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3gj1 s ARG 109 Cb -0.06 -1.58 -0.01 0.00 -1.56 0.00 0.00 34.95 31.74 3gj1 s ARG 109 CO 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 175.30 174.40 3gj1 s ALA 110 N 0.95 0.31 -0.22 6.12 0.00 0.67 -1.04 121.76 128.55 3gj1 s ALA 110 Ca -0.09 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 3gj1 s ALA 110 Cb -0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3gj1 s ALA 110 CO 0.00 0.06 0.03 -1.21 0.00 0.00 0.00 175.76 174.64 3gj1 s GLU 111 N -0.25 3.65 -0.27 0.00 2.02 -0.50 -0.55 118.70 122.79 3gj1 s GLU 111 Ca -0.00 -0.49 -0.04 0.00 0.02 0.00 0.00 54.97 54.46 3gj1 s GLU 111 Cb -0.02 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 31.04 3gj1 s GLU 111 CO -0.00 -0.06 -0.00 0.08 0.02 0.00 0.00 175.26 175.30 3gj1 s VAL 112 N 1.22 3.31 0.14 2.63 1.01 -0.46 -1.34 120.40 126.90 3gj1 s VAL 112 Ca 0.04 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3gj1 s VAL 112 Cb -0.14 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.60 3gj1 s VAL 112 CO 0.02 0.13 0.66 -1.59 0.00 0.00 0.00 175.10 174.32 3gj1 s LYS 113 N 1.39 1.23 0.21 2.72 -2.85 -0.87 -1.63 119.74 119.94 3gj1 s LYS 113 Ca 0.01 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 3gj1 s LYS 113 Cb -0.17 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 3gj1 s LYS 113 CO -0.02 -0.54 1.02 -0.06 0.10 0.00 0.00 175.35 175.85 3gj1 s PHE 114 N -3.65 3.77 -0.33 1.78 0.40 -0.95 -1.24 117.98 117.77 3gj1 s PHE 114 Ca 0.02 1.77 0.03 0.00 -0.60 0.00 0.00 56.93 58.16 3gj1 s PHE 114 Cb -0.01 -3.13 0.10 0.00 0.51 0.00 0.00 43.02 40.48 3gj1 s PHE 114 CO -0.11 -0.06 0.06 -1.21 0.70 0.00 0.00 175.22 174.59 3gj1 s GLU 115 N -0.86 1.32 7.51 0.44 2.02 0.89 -4.93 118.70 125.09 3gj1 s GLU 115 Ca 0.45 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.74 3gj1 s GLU 115 Cb -0.28 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.01 3gj1 s GLU 115 CO 0.34 -0.95 0.00 0.41 0.02 0.00 0.00 175.26 175.09 3gj1 n GLY 116 N 4.38 3.06 0.53 -1.39 0.00 -1.26 -2.31 105.19 108.21 3gj1 n GLY 116 Ca 0.03 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.96 3gj1 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj1 n ASP 117 N 4.97 1.65 -4.74 1.61 10.43 -1.26 -4.87 116.55 124.35 3gj1 n ASP 117 Ca 0.00 -1.58 -0.35 0.00 2.57 0.00 0.00 54.79 55.43 3gj1 n ASP 117 Cb 0.00 -0.03 -0.08 0.00 1.84 0.00 0.00 41.12 42.85 3gj1 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3gj1 s THR 118 N -1.95 5.11 -0.20 -3.53 2.01 -0.98 -4.38 115.64 111.73 3gj1 s THR 118 Ca 0.36 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 3gj1 s THR 118 Cb 0.20 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 3gj1 s THR 118 CO 0.32 0.52 0.82 -0.22 -0.69 0.00 0.00 174.62 175.36 3gj1 s LEU 119 N -0.17 4.13 -0.09 4.42 1.98 -0.22 -0.08 118.68 128.66 3gj1 s LEU 119 Ca 0.09 1.09 0.04 0.00 -2.89 0.00 0.00 54.13 52.47 3gj1 s LEU 119 Cb -0.12 -3.19 -0.01 0.00 0.66 0.00 0.00 46.19 43.54 3gj1 s LEU 119 CO 0.01 -0.44 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.11 3gj1 s VAL 120 N 2.41 2.20 -0.30 1.68 1.01 -0.37 -1.12 120.40 125.90 3gj1 s VAL 120 Ca 0.36 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3gj1 s VAL 120 Cb -0.16 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.42 3gj1 s VAL 120 CO 0.10 0.56 0.03 0.21 0.00 0.00 0.00 175.10 176.00 3gj1 s ASN 121 N 0.13 4.91 -0.25 3.32 2.47 0.54 -2.06 114.94 124.01 3gj1 s ASN 121 Ca -0.12 -1.06 -0.06 0.00 0.42 0.00 0.00 52.86 52.05 3gj1 s ASN 121 Cb -0.16 -1.77 -0.01 0.00 -1.45 0.00 0.00 41.25 37.86 3gj1 s ASN 121 CO 0.06 -0.24 0.02 -0.13 -3.72 0.00 0.00 177.10 173.10 3gj1 s ARG 122 N 1.35 3.40 0.02 0.43 0.52 -0.45 -1.39 118.95 122.82 3gj1 s ARG 122 Ca -0.02 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 3gj1 s ARG 122 Cb -0.19 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 3gj1 s ARG 122 CO -0.00 -0.25 -0.25 0.42 0.02 0.00 0.00 175.30 175.24 3gj1 s ILE 123 N 1.52 1.98 -0.16 1.52 1.01 0.82 -1.42 121.20 126.48 3gj1 s ILE 123 Ca 0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 3gj1 s ILE 123 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3gj1 s ILE 123 CO 0.00 0.43 -0.13 -0.70 0.00 0.00 0.00 174.94 174.54 3gj1 s GLU 124 N -0.93 3.30 -0.09 2.79 2.56 -0.21 -1.83 118.70 124.29 3gj1 s GLU 124 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 54.97 54.40 3gj1 s GLU 124 Cb -0.10 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.35 3gj1 s GLU 124 CO 0.01 0.05 -0.22 -1.17 -0.56 0.00 0.00 175.26 173.37 3gj1 s LEU 125 N 0.76 2.01 -0.10 2.70 0.20 -0.01 -1.54 118.68 122.69 3gj1 s LEU 125 Ca -0.05 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.27 3gj1 s LEU 125 Cb -0.15 -1.29 0.02 0.00 -0.43 0.00 0.00 46.19 44.33 3gj1 s LEU 125 CO 0.01 0.15 -0.11 -1.59 -0.29 0.00 0.00 176.35 174.52 3gj1 s LYS 126 N 0.34 1.74 -0.05 1.98 0.00 -0.32 -1.69 119.74 121.75 3gj1 s LYS 126 Ca -0.16 -0.38 0.06 0.00 0.00 0.00 0.00 55.97 55.49 3gj1 s LYS 126 Cb -0.17 -1.59 -0.02 0.00 0.00 0.00 0.00 37.83 36.05 3gj1 s LYS 126 CO 0.07 -0.12 -0.24 0.20 0.00 0.00 0.00 175.35 175.26 3gj1 s GLY 127 N 1.18 1.31 0.06 0.59 0.00 0.16 -0.44 107.32 110.19 3gj1 s GLY 127 Ca -0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.57 3gj1 s GLY 127 CO -0.03 -0.74 0.07 -0.26 0.00 0.00 0.00 173.10 172.14 3gj1 s ILE 128 N -0.35 0.18 -1.76 0.90 -4.36 -0.61 -0.56 121.20 114.64 3gj1 s ILE 128 Ca 0.02 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 3gj1 s ILE 128 Cb -0.12 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.24 3gj1 s ILE 128 CO 0.02 -0.81 0.00 0.47 0.24 0.00 0.00 174.94 174.86 3gj1 n ASP 129 N 0.15 -5.50 -4.83 4.36 8.00 -1.26 -2.07 116.55 115.40 3gj1 n ASP 129 Ca -0.15 0.11 -0.33 0.00 0.71 0.00 0.00 54.79 55.13 3gj1 n ASP 129 Cb 0.61 -4.58 -0.06 0.00 -0.02 0.00 0.00 41.12 37.07 3gj1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gj1 s PHE 130 N -2.90 3.35 -0.17 1.24 0.40 -1.26 -3.20 117.98 115.44 3gj1 s PHE 130 Ca 0.00 1.53 -0.29 0.00 -0.60 0.00 0.00 56.93 57.57 3gj1 s PHE 130 Cb 0.00 -2.80 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 3gj1 s PHE 130 CO 0.00 -0.15 1.20 0.15 0.70 0.00 0.00 175.22 177.12 3gj1 s LYS 131 N -3.38 4.25 0.44 0.44 1.02 -1.26 -4.92 119.74 116.33 3gj1 s LYS 131 Ca 0.60 1.58 0.30 0.00 0.02 0.00 0.00 55.97 58.48 3gj1 s LYS 131 Cb -0.09 -3.71 1.44 0.00 -0.52 0.00 0.00 37.83 34.94 3gj1 s LYS 131 CO 0.18 -0.66 1.61 1.05 -0.92 0.00 0.00 175.35 176.61 3gj1 h GLU 132 N 7.94 0.06 -0.11 1.68 -0.00 -1.96 0.20 114.58 122.39 3gj1 h GLU 132 Ca -0.25 -0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 58.98 3gj1 h GLU 132 Cb 1.10 -0.01 -0.18 0.00 -0.00 0.00 0.00 28.75 29.65 3gj1 h GLU 132 CO 0.96 0.04 -0.73 -0.40 -0.00 0.00 0.00 179.01 178.89 3gj1 n ASP 133 N -4.72 1.87 -3.12 3.06 5.68 -1.26 -4.16 116.55 113.89 3gj1 n ASP 133 Ca 0.38 -3.24 -0.17 0.00 -0.50 0.00 0.00 54.79 51.26 3gj1 n ASP 133 Cb 1.46 -0.44 0.12 0.00 -1.14 0.00 0.00 41.12 41.11 3gj1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gj1 n GLY 134 N -0.59 -1.22 0.34 6.12 0.00 0.71 -4.74 105.19 105.81 3gj1 n GLY 134 Ca 0.17 -1.71 0.18 0.00 0.00 0.00 0.00 46.02 44.66 3gj1 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3gj1 h ASN 135 N -0.97 0.00 0.00 1.61 2.35 -1.94 -1.53 115.58 115.10 3gj1 h ASN 135 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3gj1 h ASN 135 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3gj1 h ASN 135 CO 0.18 0.00 -0.14 -0.38 -1.65 0.00 0.00 177.43 175.44 3gj1 n ILE 136 N -3.49 0.36 0.28 2.81 -0.00 -1.26 -0.85 119.36 117.21 3gj1 n ILE 136 Ca 0.00 0.43 0.15 0.00 -0.00 0.00 0.00 62.75 63.33 3gj1 n ILE 136 Cb 0.30 -1.73 0.83 0.00 -0.00 0.00 0.00 39.64 39.05 3gj1 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gj1 h LEU 137 N -0.25 0.00 -1.64 1.39 3.38 -1.75 -1.58 115.31 114.85 3gj1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gj1 h LEU 137 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gj1 h LEU 137 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 3gj1 n GLY 138 N -0.90 0.81 3.43 0.83 0.00 -0.58 -4.92 105.19 103.86 3gj1 n GLY 138 Ca -0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 3gj1 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gj1 n HIS 139 N 0.90 -2.23 -0.08 1.61 8.25 -0.60 -4.95 115.22 118.13 3gj1 n HIS 139 Ca 0.17 0.79 0.07 0.00 -0.26 0.00 0.00 57.72 58.49 3gj1 n HIS 139 Cb 0.49 -4.21 0.16 0.00 1.12 0.00 0.00 29.99 27.55 3gj1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gj1 n LYS 140 N -3.72 2.50 -2.96 -0.41 5.02 -0.03 -4.98 118.16 113.58 3gj1 n LYS 140 Ca -0.15 -2.00 -0.40 0.00 -2.02 0.00 0.00 58.31 53.74 3gj1 n LYS 140 Cb 0.63 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 3gj1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gj1 s LEU 141 N -1.02 4.43 0.57 -0.35 1.02 -1.24 -0.83 118.68 121.25 3gj1 s LEU 141 Ca 0.25 1.44 -0.21 0.00 0.02 0.00 0.00 54.13 55.63 3gj1 s LEU 141 Cb 0.14 -3.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 3gj1 s LEU 141 CO 0.18 -0.02 1.34 -0.62 0.02 0.00 0.00 176.35 177.25 3gj1 n GLU 142 N 3.00 1.58 -2.80 1.70 1.02 -0.33 -4.80 120.64 120.02 3gj1 n GLU 142 Ca -0.02 0.59 -0.44 0.00 -0.02 0.00 0.00 57.16 57.27 3gj1 n GLU 142 Cb 0.50 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3gj1 n GLU 142 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3gj1 n TYR 143 N -1.20 4.71 -3.84 -0.32 9.36 -1.26 -4.84 117.16 119.76 3gj1 n TYR 143 Ca 0.11 -3.20 -0.06 0.00 3.32 0.00 0.00 57.90 58.07 3gj1 n TYR 143 Cb 0.45 -2.27 0.02 0.00 -0.63 0.00 0.00 39.34 36.91 3gj1 n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3gj1 s ASN 144 N 2.95 0.01 -0.01 2.98 2.20 -1.26 -4.84 114.94 116.98 3gj1 s ASN 144 Ca 0.45 -0.95 -0.29 0.00 -0.94 0.00 0.00 52.86 51.14 3gj1 s ASN 144 Cb 0.00 0.69 0.08 0.00 -2.00 0.00 0.00 41.25 40.02 3gj1 s ASN 144 CO 0.02 -1.38 0.69 -0.47 -2.94 0.00 0.00 177.10 173.02 3gj1 s TYR 145 N -2.19 -0.60 0.39 1.54 5.04 -1.26 -4.86 117.35 115.41 3gj1 s TYR 145 Ca 0.19 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 55.73 3gj1 s TYR 145 Cb -0.04 0.45 -0.06 0.00 0.35 0.00 0.00 41.96 42.66 3gj1 s TYR 145 CO 0.09 -0.65 0.03 -0.80 -1.34 0.00 0.00 175.55 172.89 3gj1 s ASN 146 N -1.61 3.26 0.26 4.32 0.01 -1.26 -4.84 114.94 115.08 3gj1 s ASN 146 Ca -0.07 -1.42 -0.30 0.00 -0.71 0.00 0.00 52.86 50.37 3gj1 s ASN 146 Cb -0.00 -0.13 -0.09 0.00 0.41 0.00 0.00 41.25 41.43 3gj1 s ASN 146 CO 0.03 -0.58 1.03 -0.94 -1.51 0.00 0.00 177.10 175.13 3gj1 s SER 147 N -3.64 7.44 0.02 -1.22 1.04 -1.26 -4.56 113.70 111.53 3gj1 s SER 147 Ca 0.32 2.12 -0.04 0.00 0.48 0.00 0.00 55.95 58.83 3gj1 s SER 147 Cb 0.08 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 3gj1 s SER 147 CO 0.15 -0.01 0.06 -1.00 0.98 0.00 0.00 173.24 173.43 3gj1 s HIS 148 N -1.15 0.18 -0.16 5.02 3.76 -0.61 -4.98 115.29 117.34 3gj1 s HIS 148 Ca 0.43 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 54.90 3gj1 s HIS 148 Cb -0.29 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.23 3gj1 s HIS 148 CO 0.37 -0.27 -0.02 -0.80 -0.85 0.00 0.00 174.74 173.17 3gj1 s ASN 149 N -1.64 4.94 -0.41 1.40 0.01 -1.26 -0.69 114.94 117.29 3gj1 s ASN 149 Ca -0.12 -0.10 -0.04 0.00 -0.71 0.00 0.00 52.86 51.89 3gj1 s ASN 149 Cb -0.06 -1.81 0.11 0.00 0.41 0.00 0.00 41.25 39.89 3gj1 s ASN 149 CO -0.01 0.17 0.21 -0.69 -1.51 0.00 0.00 177.10 175.27 3gj1 s VAL 150 N 0.38 3.46 -0.14 1.60 1.01 0.09 -4.93 120.40 121.87 3gj1 s VAL 150 Ca -0.03 -1.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 3gj1 s VAL 150 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 3gj1 s VAL 150 CO 0.02 -0.65 1.47 -0.31 0.00 0.00 0.00 175.10 175.63 3gj1 s TYR 151 N 1.20 2.40 -0.11 5.22 2.02 -1.26 -0.87 117.35 125.94 3gj1 s TYR 151 Ca 0.07 0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 57.27 3gj1 s TYR 151 Cb -0.23 -3.76 -0.05 0.00 -0.40 0.00 0.00 41.96 37.52 3gj1 s TYR 151 CO -0.03 -2.69 0.28 0.42 -1.57 0.00 0.00 175.55 171.96 3gj1 s ILE 152 N 4.03 5.28 0.03 2.71 -1.09 0.15 -4.17 121.20 128.15 3gj1 s ILE 152 Ca 0.64 0.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.62 3gj1 s ILE 152 Cb -0.26 -3.60 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 3gj1 s ILE 152 CO 0.23 0.49 -0.06 0.42 -1.23 0.00 0.00 174.94 174.79 3gj1 s THR 153 N -0.24 0.39 0.71 2.92 -4.23 -0.47 -2.46 115.64 112.25 3gj1 s THR 153 Ca 0.18 -1.01 -0.15 0.00 -1.18 0.00 0.00 61.69 59.53 3gj1 s THR 153 Cb -0.14 -0.48 0.03 0.00 1.34 0.00 0.00 72.50 73.25 3gj1 s THR 153 CO 0.06 -0.42 1.17 0.00 -0.54 0.00 0.00 174.62 174.89 3gj1 s ALA 154 N -1.40 2.23 -0.56 3.99 0.00 -1.25 -1.61 121.76 123.17 3gj1 s ALA 154 Ca -0.12 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.66 3gj1 s ALA 154 Cb -0.10 -3.41 0.24 0.00 0.00 0.00 0.00 23.12 19.84 3gj1 s ALA 154 CO -0.00 -1.68 0.63 -3.47 0.00 0.00 0.00 175.76 171.24 3gj1 n ASP 155 N -2.64 2.33 -0.22 0.00 -0.08 0.88 -4.67 116.55 112.15 3gj1 n ASP 155 Ca 0.12 -3.13 -0.02 0.00 -1.51 0.00 0.00 54.79 50.25 3gj1 n ASP 155 Cb 0.51 -0.66 0.04 0.00 2.34 0.00 0.00 41.12 43.35 3gj1 n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3gj1 h LYS 156 N 4.33 -0.08 0.15 -0.67 1.79 -1.93 -0.03 116.57 120.12 3gj1 h LYS 156 Ca 0.16 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 3gj1 h LYS 156 Cb 0.75 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.38 3gj1 h LYS 156 CO 0.68 -0.05 -0.42 0.37 -1.08 0.00 0.00 179.45 178.95 3gj1 h GLN 157 N -0.08 -0.65 -0.06 3.15 -0.00 -1.94 -1.97 115.11 113.56 3gj1 h GLN 157 Ca 0.29 0.04 0.02 0.00 -0.00 0.00 0.00 58.65 59.00 3gj1 h GLN 157 Cb 0.54 0.15 -0.00 0.00 0.00 0.00 0.00 27.48 28.16 3gj1 h GLN 157 CO -0.71 -0.43 0.08 0.87 0.00 0.00 0.00 178.83 178.65 3gj1 h LYS 158 N -0.67 0.00 -4.08 1.69 6.56 -1.52 -3.46 116.57 115.09 3gj1 h LYS 158 Ca 0.01 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.42 3gj1 h LYS 158 Cb 0.69 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.44 3gj1 h LYS 158 CO -0.22 0.00 -0.44 -1.71 -2.06 0.00 0.00 179.45 175.02 3gj1 n ASN 159 N -3.72 -2.09 0.00 0.86 5.15 -0.20 -4.94 115.26 110.33 3gj1 n ASN 159 Ca -0.01 -0.35 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 3gj1 n ASN 159 Cb 0.18 -3.13 0.00 0.00 -0.53 0.00 0.00 39.78 36.30 3gj1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gj1 n GLY 160 N -1.08 1.50 3.38 8.20 0.00 -1.15 -4.29 105.19 111.75 3gj1 n GLY 160 Ca -0.16 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3gj1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gj1 s ILE 161 N 0.42 0.69 0.15 -0.61 -4.36 -0.89 -0.09 121.20 116.50 3gj1 s ILE 161 Ca 0.00 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.24 3gj1 s ILE 161 Cb 0.00 -2.63 0.03 0.00 1.25 0.00 0.00 42.46 41.11 3gj1 s ILE 161 CO 0.00 0.00 0.41 -1.59 0.24 0.00 0.00 174.94 174.00 3gj1 s LYS 162 N -3.92 1.15 0.01 0.37 0.00 -0.63 -1.79 119.74 114.92 3gj1 s LYS 162 Ca 0.35 -0.81 -0.28 0.00 0.00 0.00 0.00 55.97 55.24 3gj1 s LYS 162 Cb 0.07 0.47 0.08 0.00 0.00 0.00 0.00 37.83 38.45 3gj1 s LYS 162 CO 0.15 -0.46 0.70 0.00 0.00 0.00 0.00 175.35 175.74 3gj1 s ALA 163 N -3.84 -1.74 -0.02 0.59 0.00 -0.72 -1.37 121.76 114.67 3gj1 s ALA 163 Ca 0.06 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 3gj1 s ALA 163 Cb 0.01 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3gj1 s ALA 163 CO -0.08 -0.51 0.04 0.54 0.00 0.00 0.00 175.76 175.74 3gj1 s ASN 164 N -1.76 -0.00 0.06 0.00 4.22 -1.26 0.08 114.94 116.28 3gj1 s ASN 164 Ca -0.05 0.07 -0.25 0.00 -2.14 0.00 0.00 52.86 50.48 3gj1 s ASN 164 Cb -0.00 0.03 0.06 0.00 1.28 0.00 0.00 41.25 42.62 3gj1 s ASN 164 CO 0.01 -0.06 0.60 0.72 -2.04 0.00 0.00 177.10 176.33 3gj1 s PHE 165 N 0.43 -0.54 -0.28 1.54 -0.12 0.42 -4.71 117.98 114.72 3gj1 s PHE 165 Ca -0.03 0.61 -0.08 0.00 -0.05 0.00 0.00 56.93 57.37 3gj1 s PHE 165 Cb -0.05 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3gj1 s PHE 165 CO -0.01 -0.72 0.11 0.15 -0.05 0.00 0.00 175.22 174.70 3gj1 s LYS 166 N -2.61 3.52 -0.05 1.99 1.02 -1.26 0.05 119.74 122.41 3gj1 s LYS 166 Ca -0.04 -0.58 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 3gj1 s LYS 166 Cb -0.01 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3gj1 s LYS 166 CO -0.03 -0.29 0.76 0.42 -0.92 0.00 0.00 175.35 175.30 3gj1 s ILE 167 N 1.61 4.99 -0.43 2.17 -1.09 0.48 -4.87 121.20 124.06 3gj1 s ILE 167 Ca 0.05 1.59 -0.22 0.00 -2.23 0.00 0.00 60.65 59.84 3gj1 s ILE 167 Cb -0.16 -4.10 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 3gj1 s ILE 167 CO 0.05 0.24 0.73 -0.13 -1.23 0.00 0.00 174.94 174.60 3gj1 s ARG 168 N 0.79 3.41 -0.32 2.79 0.52 -1.26 -0.28 118.95 124.60 3gj1 s ARG 168 Ca 0.41 -0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.36 3gj1 s ARG 168 Cb -0.19 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.35 3gj1 s ARG 168 CO 0.20 -1.04 0.19 -1.01 0.02 0.00 0.00 175.30 173.67 3gj1 s HIS 169 N 3.10 3.20 0.21 -0.53 3.76 -0.61 -4.56 115.29 119.86 3gj1 s HIS 169 Ca 0.27 -0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 54.45 3gj1 s HIS 169 Cb -0.13 -2.41 -0.10 0.00 1.11 0.00 0.00 32.58 31.05 3gj1 s HIS 169 CO 0.21 -0.42 1.48 -0.80 -0.85 0.00 0.00 174.74 174.36 3gj1 s ASN 170 N 1.66 6.64 0.13 1.40 0.01 -1.26 -0.86 114.94 122.66 3gj1 s ASN 170 Ca 0.05 2.63 -0.05 0.00 -0.71 0.00 0.00 52.86 54.78 3gj1 s ASN 170 Cb -0.17 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.82 3gj1 s ASN 170 CO 0.08 -0.74 0.37 -0.63 -1.51 0.00 0.00 177.10 174.67 3gj1 s ILE 171 N 0.43 5.18 0.40 0.60 -1.09 -0.77 -1.18 121.20 124.76 3gj1 s ILE 171 Ca 0.63 0.04 0.09 0.00 -2.23 0.00 0.00 60.65 59.17 3gj1 s ILE 171 Cb -0.42 -3.62 0.30 0.00 -1.58 0.00 0.00 42.46 37.13 3gj1 s ILE 171 CO 0.39 0.06 1.99 -0.33 -1.23 0.00 0.00 174.94 175.81 3gj1 h GLU 172 N 2.90 0.58 0.00 2.79 5.08 -1.30 -1.90 114.58 122.72 3gj1 h GLU 172 Ca -0.46 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3gj1 h GLU 172 Cb 1.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3gj1 h GLU 172 CO 0.72 0.38 0.00 -0.40 -1.00 0.00 0.00 179.01 178.72 3gj1 n ASP 173 N -4.48 0.00 0.00 1.42 3.85 -1.26 -4.87 116.55 111.21 3gj1 n ASP 173 Ca 0.09 -0.21 0.00 0.00 -0.71 0.00 0.00 54.79 53.96 3gj1 n ASP 173 Cb 0.24 -0.16 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3gj1 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gj1 n GLY 174 N 0.09 1.65 0.80 6.12 0.00 -0.72 -5.11 105.19 108.02 3gj1 n GLY 174 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 3gj1 n GLY 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gj1 n SER 175 N 0.00 0.14 -3.99 1.61 3.41 -1.26 -4.84 113.62 108.70 3gj1 n SER 175 Ca 0.00 -1.16 -0.25 0.00 -0.26 0.00 0.00 58.87 57.20 3gj1 n SER 175 Cb 0.00 -0.18 -0.17 0.00 -0.26 0.00 0.00 64.21 63.61 3gj1 n SER 175 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gj1 s VAL 176 N -1.08 1.06 -0.29 -3.33 1.01 -1.26 -1.85 120.40 114.66 3gj1 s VAL 176 Ca 0.15 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 3gj1 s VAL 176 Cb -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3gj1 s VAL 176 CO 0.10 0.35 0.31 -1.10 0.00 0.00 0.00 175.10 174.75 3gj1 s GLN 177 N 0.91 3.87 0.18 2.72 -1.52 -0.04 -4.94 119.66 120.85 3gj1 s GLN 177 Ca -0.10 -0.21 -0.28 0.00 -1.95 0.00 0.00 55.36 52.82 3gj1 s GLN 177 Cb -0.15 -3.70 -0.08 0.00 -0.22 0.00 0.00 33.01 28.86 3gj1 s GLN 177 CO 0.01 -0.31 0.89 -0.51 -0.25 0.00 0.00 175.29 175.12 3gj1 s LEU 178 N 1.94 4.60 -0.23 2.90 1.43 -1.26 -1.58 118.68 126.48 3gj1 s LEU 178 Ca 0.11 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.01 3gj1 s LEU 178 Cb -0.16 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.58 3gj1 s LEU 178 CO 0.11 0.12 -0.08 0.00 0.23 0.00 0.00 176.35 176.73 3gj1 s ALA 179 N -0.88 2.65 -0.36 4.21 0.00 0.62 -1.45 121.76 126.54 3gj1 s ALA 179 Ca 0.40 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 3gj1 s ALA 179 Cb -0.24 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3gj1 s ALA 179 CO 0.30 -0.68 0.63 0.34 0.00 0.00 0.00 175.76 176.35 3gj1 s ASP 180 N 1.34 6.42 -0.17 0.00 2.15 0.12 -0.39 116.67 126.14 3gj1 s ASP 180 Ca 0.02 0.12 -0.06 0.00 0.43 0.00 0.00 52.55 53.05 3gj1 s ASP 180 Cb -0.16 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 3gj1 s ASP 180 CO -0.06 -0.60 0.04 -1.00 -0.17 0.00 0.00 175.17 173.39 3gj1 s HIS 181 N 2.71 3.22 -0.14 -5.34 3.76 0.11 -0.81 115.29 118.79 3gj1 s HIS 181 Ca 0.24 0.04 0.02 0.00 -0.15 0.00 0.00 55.06 55.21 3gj1 s HIS 181 Cb -0.14 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.53 3gj1 s HIS 181 CO 0.15 0.17 -0.20 0.71 -0.85 0.00 0.00 174.74 174.72 3gj1 s TYR 182 N 0.21 2.56 -0.02 1.40 1.51 -0.89 -0.44 117.35 121.68 3gj1 s TYR 182 Ca 0.03 -1.33 0.05 0.00 -1.01 0.00 0.00 57.07 54.81 3gj1 s TYR 182 Cb -0.13 -1.76 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 3gj1 s TYR 182 CO 0.01 -0.63 -0.17 -1.14 -1.11 0.00 0.00 175.55 172.51 3gj1 s GLN 183 N 0.96 1.44 0.04 -0.62 0.74 0.11 -1.67 119.66 120.66 3gj1 s GLN 183 Ca -0.04 -0.59 0.06 0.00 0.05 0.00 0.00 55.36 54.84 3gj1 s GLN 183 Cb -0.15 -1.35 -0.02 0.00 1.10 0.00 0.00 33.01 32.59 3gj1 s GLN 183 CO -0.04 0.33 -0.18 1.14 -0.55 0.00 0.00 175.29 175.98 3gj1 s GLN 184 N -0.27 1.20 -0.05 1.67 -2.07 -0.48 -1.75 119.66 117.91 3gj1 s GLN 184 Ca 0.04 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 52.76 3gj1 s GLN 184 Cb -0.08 -1.27 0.00 0.00 -1.09 0.00 0.00 33.01 30.58 3gj1 s GLN 184 CO 0.00 0.32 -0.15 -0.80 -1.32 0.00 0.00 175.29 173.34 3gj1 s ASN 185 N -1.13 1.96 0.02 12.60 -0.87 -0.74 -0.79 114.94 125.99 3gj1 s ASN 185 Ca 0.05 -0.33 0.07 0.00 -1.57 0.00 0.00 52.86 51.09 3gj1 s ASN 185 Cb -0.08 -0.69 -0.02 0.00 -0.02 0.00 0.00 41.25 40.44 3gj1 s ASN 185 CO 0.01 0.10 -0.22 -0.89 -2.57 0.00 0.00 177.10 173.54 3gj1 s THR 186 N 0.28 1.73 0.68 1.60 2.01 -0.48 -2.10 115.64 119.36 3gj1 s THR 186 Ca -0.08 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.64 3gj1 s THR 186 Cb -0.13 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3gj1 s THR 186 CO 0.03 0.33 1.24 -0.81 -0.69 0.00 0.00 174.62 174.72 3gj1 n PRO 187 N 2.11 0.92 0.00 4.92 -0.04 -1.26 0.10 135.00 141.76 3gj1 n PRO 187 Ca -0.16 0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 3gj1 n PRO 187 Cb 0.53 -2.48 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 3gj1 n PRO 187 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3gj1 h ILE 188 N 0.26 1.01 0.00 0.52 2.04 -1.35 -3.43 117.51 116.56 3gj1 h ILE 188 Ca -0.50 -2.81 0.00 0.00 1.00 0.00 0.00 64.86 62.55 3gj1 h ILE 188 Cb 1.34 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 3gj1 h ILE 188 CO 0.51 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.91 3gj1 n GLY 189 N 1.57 1.02 0.00 5.37 0.00 -1.26 -5.01 105.19 106.87 3gj1 n GLY 189 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3gj1 n GLY 189 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gj1 n VAL 193 N -0.39 0.00 -2.97 1.61 0.31 -1.26 -5.12 118.33 110.51 3gj1 n VAL 193 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3gj1 n VAL 193 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3gj1 n VAL 193 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3gj1 s LEU 194 N 0.00 4.09 -0.24 7.52 0.20 -1.26 -5.03 118.68 123.96 3gj1 s LEU 194 Ca 0.00 0.67 -0.29 0.00 0.69 0.00 0.00 54.13 55.20 3gj1 s LEU 194 Cb 0.00 -3.04 0.01 0.00 -0.43 0.00 0.00 46.19 42.73 3gj1 s LEU 194 CO 0.00 -0.58 1.09 -0.76 -0.29 0.00 0.00 176.35 175.82 3gj1 s LEU 195 N 2.88 4.07 0.45 -0.68 1.43 -1.26 -4.48 118.68 121.09 3gj1 s LEU 195 Ca 0.31 1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 54.56 3gj1 s LEU 195 Cb -0.14 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 3gj1 s LEU 195 CO 0.12 -0.75 0.96 -2.16 0.23 0.00 0.00 176.35 174.75 3gj1 s PRO 196 N 3.38 4.14 0.95 1.29 0.04 -1.26 -4.98 135.00 138.57 3gj1 s PRO 196 Ca 0.46 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 3gj1 s PRO 196 Cb -0.15 -2.17 0.16 0.00 0.04 0.00 0.00 34.50 32.38 3gj1 s PRO 196 CO 0.10 -0.10 1.09 -0.51 0.04 0.00 0.00 177.00 177.61 3gj1 s ASP 197 N -2.38 2.91 0.24 6.66 1.01 -1.26 -3.80 116.67 120.05 3gj1 s ASP 197 Ca 0.62 1.63 -0.31 0.00 0.71 0.00 0.00 52.55 55.20 3gj1 s ASP 197 Cb -0.10 -2.28 -0.13 0.00 1.01 0.00 0.00 42.92 41.42 3gj1 s ASP 197 CO 0.17 -3.02 1.44 0.59 0.21 0.00 0.00 175.17 174.57 3gj1 n ASN 198 N -4.14 2.94 -3.44 0.27 4.13 -1.26 -4.79 115.26 108.96 3gj1 n ASN 198 Ca 0.07 1.14 -0.04 0.00 1.68 0.00 0.00 54.58 57.43 3gj1 n ASN 198 Cb 0.54 -1.45 0.01 0.00 -1.54 0.00 0.00 39.78 37.34 3gj1 n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3gj1 s HIS 199 N -0.01 0.02 0.16 3.10 -3.43 -1.03 -4.69 115.29 109.41 3gj1 s HIS 199 Ca 0.68 -0.41 0.02 0.00 -0.80 0.00 0.00 55.06 54.55 3gj1 s HIS 199 Cb -0.63 0.69 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 3gj1 s HIS 199 CO 0.49 -0.95 -0.03 1.52 -2.00 0.00 0.00 174.74 173.77 3gj1 s TYR 200 N -2.51 1.19 -0.23 0.38 -0.85 -0.49 0.34 117.35 115.18 3gj1 s TYR 200 Ca 0.18 -0.94 -0.07 0.00 -0.52 0.00 0.00 57.07 55.72 3gj1 s TYR 200 Cb -0.02 -0.67 -0.03 0.00 0.38 0.00 0.00 41.96 41.61 3gj1 s TYR 200 CO 0.05 -0.12 0.07 -0.51 -1.52 0.00 0.00 175.55 173.52 3gj1 s LEU 201 N -3.16 3.57 -0.38 -3.49 1.43 -0.05 -0.54 118.68 116.06 3gj1 s LEU 201 Ca 0.21 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.92 3gj1 s LEU 201 Cb 0.05 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3gj1 s LEU 201 CO 0.02 0.02 0.99 -0.55 0.23 0.00 0.00 176.35 177.06 3gj1 s SER 202 N 1.28 6.71 -0.08 2.29 0.15 0.84 -0.73 113.70 124.16 3gj1 s SER 202 Ca 0.05 0.63 -0.03 0.00 0.70 0.00 0.00 55.95 57.30 3gj1 s SER 202 Cb -0.15 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3gj1 s SER 202 CO 0.04 -0.93 0.05 -1.00 1.20 0.00 0.00 173.24 172.59 3gj1 s HIS 203 N 3.67 3.28 0.00 3.44 3.76 0.14 -1.50 115.29 128.08 3gj1 s HIS 203 Ca 0.41 0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.57 3gj1 s HIS 203 Cb -0.11 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 3gj1 s HIS 203 CO 0.20 0.55 0.04 -0.65 -0.85 0.00 0.00 174.74 174.03 3gj1 s GLN 204 N -1.09 0.29 -0.04 1.40 -0.21 -0.44 -1.58 119.66 117.99 3gj1 s GLN 204 Ca 0.16 -0.37 -0.17 0.00 0.02 0.00 0.00 55.36 55.00 3gj1 s GLN 204 Cb -0.12 0.11 0.03 0.00 1.00 0.00 0.00 33.01 34.04 3gj1 s GLN 204 CO 0.05 -0.05 0.37 -1.12 -2.12 0.00 0.00 175.29 172.42 3gj1 s SER 205 N -1.03 -0.29 -0.04 5.90 0.01 -1.26 -1.59 113.70 115.40 3gj1 s SER 205 Ca -0.11 0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.42 3gj1 s SER 205 Cb -0.07 0.43 0.03 0.00 0.21 0.00 0.00 66.02 66.62 3gj1 s SER 205 CO -0.00 -0.41 0.08 0.00 0.41 0.00 0.00 173.24 173.31 3gj1 s ALA 206 N -1.05 -0.09 -0.03 1.44 0.00 -0.15 -4.59 121.76 117.28 3gj1 s ALA 206 Ca -0.11 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.30 3gj1 s ALA 206 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3gj1 s ALA 206 CO 0.04 -0.11 -0.08 -0.51 0.00 0.00 0.00 175.76 175.10 3gj1 s LEU 207 N 0.92 3.10 0.00 0.00 1.43 -1.26 -1.89 118.68 120.99 3gj1 s LEU 207 Ca -0.07 -0.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3gj1 s LEU 207 Cb -0.10 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3gj1 s LEU 207 CO -0.04 0.33 0.33 -0.24 0.23 0.00 0.00 176.35 176.96 3gj1 n SER 208 N 1.94 -0.88 -4.16 2.29 2.88 0.22 -4.90 113.62 111.02 3gj1 n SER 208 Ca -0.17 -2.86 -0.14 0.00 -1.33 0.00 0.00 58.87 54.37 3gj1 n SER 208 Cb 0.53 1.82 -0.11 0.00 -0.75 0.00 0.00 64.21 65.70 3gj1 n SER 208 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gj1 s LYS 209 N -3.01 0.81 -0.39 -1.46 -0.14 -1.26 -1.30 119.74 112.98 3gj1 s LYS 209 Ca 0.32 -1.13 -0.20 0.00 -1.36 0.00 0.00 55.97 53.60 3gj1 s LYS 209 Cb 0.01 -0.46 0.01 0.00 -1.68 0.00 0.00 37.83 35.71 3gj1 s LYS 209 CO 0.23 0.06 0.60 0.34 -0.76 0.00 0.00 175.35 175.82 3gj1 s ASP 210 N -2.42 6.34 0.62 2.83 2.15 -1.26 -4.96 116.67 119.97 3gj1 s ASP 210 Ca 0.04 -0.15 0.32 0.00 0.43 0.00 0.00 52.55 53.19 3gj1 s ASP 210 Cb -0.03 -2.30 1.82 0.00 -0.30 0.00 0.00 42.92 42.11 3gj1 s ASP 210 CO -0.01 -0.65 2.13 -0.65 -0.17 0.00 0.00 175.17 175.83 3gj1 h PRO 211 N 8.65 0.00 -0.02 4.34 0.11 -2.03 -0.58 132.00 142.47 3gj1 h PRO 211 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3gj1 h PRO 211 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gj1 h PRO 211 CO 0.84 0.00 -0.06 0.09 -0.21 0.00 0.00 178.00 178.66 3gj1 n ASN 212 N -3.50 2.13 -4.62 -2.05 3.02 -1.26 -4.85 115.26 104.13 3gj1 n ASN 212 Ca -0.00 -1.66 -0.39 0.00 -0.03 0.00 0.00 54.58 52.50 3gj1 n ASN 212 Cb 0.27 0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.41 3gj1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gj1 s GLU 213 N -2.08 4.05 0.11 3.52 2.56 -0.23 -4.96 118.70 121.67 3gj1 s GLU 213 Ca 0.31 0.08 0.22 0.00 0.00 0.00 0.00 54.97 55.58 3gj1 s GLU 213 Cb 0.20 -3.63 -0.12 0.00 2.00 0.00 0.00 34.13 32.57 3gj1 s GLU 213 CO 0.36 -0.24 0.83 1.63 -0.56 0.00 0.00 175.26 177.28 3gj1 n LYS 214 N 5.18 0.63 -1.29 4.30 4.01 -1.26 -4.88 118.16 124.85 3gj1 n LYS 214 Ca -0.08 0.02 -0.33 0.00 -0.51 0.00 0.00 58.31 57.41 3gj1 n LYS 214 Cb 0.51 -1.72 0.11 0.00 -0.51 0.00 0.00 35.03 33.41 3gj1 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3gj1 s ARG 215 N -3.37 1.94 -0.09 1.97 0.52 -1.26 -4.95 118.95 113.71 3gj1 s ARG 215 Ca -0.03 1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 56.56 3gj1 s ARG 215 Cb 0.11 -1.82 -0.02 0.00 0.52 0.00 0.00 34.95 33.74 3gj1 s ARG 215 CO 0.83 -1.97 1.13 0.34 0.02 0.00 0.00 175.30 175.65 3gj1 s ASP 216 N -2.25 7.11 0.20 0.23 2.15 -1.26 -4.97 116.67 117.89 3gj1 s ASP 216 Ca 0.72 1.68 -0.15 0.00 0.43 0.00 0.00 52.55 55.23 3gj1 s ASP 216 Cb -0.27 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.81 3gj1 s ASP 216 CO 0.48 -0.56 0.46 -1.38 -0.17 0.00 0.00 175.17 174.01 3gj1 s HIS 217 N 2.31 0.09 -0.03 -5.34 -3.43 -1.26 -1.71 115.29 105.92 3gj1 s HIS 217 Ca 0.52 -0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 54.32 3gj1 s HIS 217 Cb -0.22 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 3gj1 s HIS 217 CO 0.19 -0.89 0.07 1.41 -2.00 0.00 0.00 174.74 173.52 3gj1 s MET 218 N -3.92 0.05 -0.20 -0.38 1.75 -0.58 -4.96 119.30 111.07 3gj1 s MET 218 Ca 0.13 0.16 -0.08 0.00 -1.25 0.00 0.00 55.69 54.65 3gj1 s MET 218 Cb -0.00 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.57 3gj1 s MET 218 CO 0.00 -0.07 0.08 0.08 -0.65 0.00 0.00 175.02 174.46 3gj1 s VAL 219 N 0.45 4.88 -0.10 10.11 1.01 -0.42 -0.30 120.40 136.04 3gj1 s VAL 219 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3gj1 s VAL 219 Cb -0.05 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.13 3gj1 s VAL 219 CO -0.02 0.43 -0.12 -0.22 0.00 0.00 0.00 175.10 175.17 3gj1 s LEU 220 N 0.56 1.57 -0.03 3.92 2.96 0.02 -0.61 118.68 127.06 3gj1 s LEU 220 Ca 0.04 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3gj1 s LEU 220 Cb -0.13 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 3gj1 s LEU 220 CO 0.01 -0.01 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.03 3gj1 s LEU 221 N 1.07 2.19 0.01 -0.68 1.02 -0.79 -0.43 118.68 121.07 3gj1 s LEU 221 Ca -0.06 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 3gj1 s LEU 221 Cb -0.15 -1.39 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 3gj1 s LEU 221 CO -0.02 0.31 0.05 -1.61 0.02 0.00 0.00 176.35 175.10 3gj1 s GLU 222 N -0.56 0.40 -0.08 1.70 2.02 -0.23 -0.98 118.70 120.97 3gj1 s GLU 222 Ca 0.08 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3gj1 s GLU 222 Cb -0.11 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.29 3gj1 s GLU 222 CO -0.00 -0.08 -0.16 -0.06 0.02 0.00 0.00 175.26 174.98 3gj1 s PHE 223 N -1.46 1.81 -0.10 1.61 0.08 -0.62 -0.31 117.98 118.99 3gj1 s PHE 223 Ca -0.15 -0.72 -0.01 0.00 0.12 0.00 0.00 56.93 56.17 3gj1 s PHE 223 Cb -0.09 -1.29 0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3gj1 s PHE 223 CO 0.00 -0.34 -0.05 0.08 -0.10 0.00 0.00 175.22 174.81 3gj1 s VAL 224 N 0.63 0.80 -0.03 -0.44 1.01 0.26 -1.33 120.40 121.30 3gj1 s VAL 224 Ca -0.15 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3gj1 s VAL 224 Cb -0.16 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 3gj1 s VAL 224 CO 0.04 0.33 -0.18 0.42 0.00 0.00 0.00 175.10 175.72 3gj1 s THR 225 N 1.78 1.44 0.27 3.92 -4.23 -0.57 -1.44 115.64 116.82 3gj1 s THR 225 Ca 0.05 -0.76 -0.25 0.00 -1.18 0.00 0.00 61.69 59.55 3gj1 s THR 225 Cb -0.12 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.41 3gj1 s THR 225 CO -0.07 0.41 0.88 0.00 -0.54 0.00 0.00 174.62 175.30 3gj1 s ALA 226 N -0.24 3.30 0.24 3.99 0.00 0.71 -0.11 121.76 129.66 3gj1 s ALA 226 Ca 0.03 0.45 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 3gj1 s ALA 226 Cb -0.09 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3gj1 s ALA 226 CO 0.00 0.23 0.42 0.00 0.00 0.00 0.00 175.76 176.41 3gj1 n ALA 227 N 0.90 -0.70 0.00 0.00 0.00 0.30 -4.50 120.51 116.52 3gj1 n ALA 227 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3gj1 n ALA 227 Cb 0.49 0.75 0.00 0.00 0.00 0.00 0.00 19.45 20.69 3gj1 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj1 n GLY 228 N -0.36 0.60 3.02 0.00 0.00 -1.26 -1.39 105.19 105.79 3gj1 n GLY 228 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3gj1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gj1 s ILE 229 N -2.00 1.21 -2.00 -0.61 1.01 -1.26 -4.72 121.20 112.83 3gj1 s ILE 229 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 60.65 60.27 3gj1 s ILE 229 Cb 0.00 -1.12 0.34 0.00 0.01 0.00 0.00 42.46 41.69 3gj1 s ILE 229 CO 0.00 0.38 1.15 0.35 0.00 0.00 0.00 174.94 176.82