#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gj0 n ALA 2 N 0.00 5.50 -3.47 -0.43 0.00 -1.26 -4.83 120.51 116.03 3gj0 n ALA 2 Ca 0.00 -4.04 -0.13 0.00 0.00 0.00 0.00 53.44 49.27 3gj0 n ALA 2 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 19.45 16.08 3gj0 n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gj0 s ALA 3 N 2.16 -1.69 0.75 0.00 0.00 -1.26 -5.17 121.76 116.56 3gj0 s ALA 3 Ca 0.44 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.13 3gj0 s ALA 3 Cb 0.12 0.51 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3gj0 s ALA 3 CO -0.06 -0.62 1.08 -0.65 0.00 0.00 0.00 175.76 175.51 3gj0 s GLN 4 N -2.82 2.53 0.00 0.00 -0.21 -1.26 -4.18 119.66 113.72 3gj0 s GLN 4 Ca -0.02 0.74 0.00 0.00 0.02 0.00 0.00 55.36 56.10 3gj0 s GLN 4 Cb -0.01 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.04 3gj0 s GLN 4 CO -0.05 -1.33 0.00 0.41 -2.12 0.00 0.00 175.29 172.19 3gj0 n GLY 5 N -2.18 0.57 3.79 3.09 0.00 -1.26 -5.03 105.19 104.17 3gj0 n GLY 5 Ca 0.07 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3gj0 n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gj0 s GLU 6 N -0.24 4.02 0.34 1.61 0.41 -1.26 -5.01 118.70 118.58 3gj0 s GLU 6 Ca 0.00 1.46 -0.29 0.00 -0.41 0.00 0.00 54.97 55.74 3gj0 s GLU 6 Cb 0.00 -2.37 -0.10 0.00 -1.78 0.00 0.00 34.13 29.87 3gj0 s GLU 6 CO 0.00 -0.26 1.37 -2.14 -0.49 0.00 0.00 175.26 173.74 3gj0 s PRO 7 N -2.77 4.28 0.53 0.39 0.02 -1.26 -4.97 135.00 131.21 3gj0 s PRO 7 Ca 0.61 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.78 3gj0 s PRO 7 Cb -0.20 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.21 3gj0 s PRO 7 CO 0.25 -0.30 1.05 1.14 -0.33 0.00 0.00 177.00 178.81 3gj0 s GLN 8 N -1.84 3.61 -0.38 5.54 -2.07 -1.26 -4.99 119.66 118.26 3gj0 s GLN 8 Ca 0.50 1.32 -0.25 0.00 -1.82 0.00 0.00 55.36 55.11 3gj0 s GLN 8 Cb -0.42 -2.07 0.02 0.00 -1.09 0.00 0.00 33.01 29.45 3gj0 s GLN 8 CO 0.56 -0.59 0.91 0.08 -1.32 0.00 0.00 175.29 174.93 3gj0 s VAL 9 N -2.14 4.58 0.02 3.63 1.01 -1.26 -5.02 120.40 121.22 3gj0 s VAL 9 Ca 0.66 1.09 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 3gj0 s VAL 9 Cb -0.17 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 3gj0 s VAL 9 CO 0.26 -0.57 0.10 0.00 0.00 0.00 0.00 175.10 174.89 3gj0 s GLN 10 N 3.48 0.49 -0.01 2.72 -2.07 -1.26 -1.05 119.66 121.96 3gj0 s GLN 10 Ca 0.37 -0.54 0.01 0.00 -1.82 0.00 0.00 55.36 53.39 3gj0 s GLN 10 Cb -0.12 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 32.00 3gj0 s GLN 10 CO 0.20 -0.12 -0.04 -0.06 -1.32 0.00 0.00 175.29 173.95 3gj0 s PHE 11 N -1.77 0.45 -0.18 9.60 0.08 -0.16 -4.98 117.98 121.02 3gj0 s PHE 11 Ca -0.12 -0.08 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 3gj0 s PHE 11 Cb -0.06 -0.34 -0.00 0.00 -0.57 0.00 0.00 43.02 42.05 3gj0 s PHE 11 CO -0.01 -0.04 1.10 0.21 -0.10 0.00 0.00 175.22 176.38 3gj0 s LYS 12 N 0.15 4.28 -0.17 0.44 2.20 -1.26 -0.44 119.74 124.94 3gj0 s LYS 12 Ca -0.01 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.06 3gj0 s LYS 12 Cb -0.05 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3gj0 s LYS 12 CO -0.00 -0.59 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.05 3gj0 s LEU 13 N 3.05 2.33 -0.15 5.43 0.20 -0.34 -0.85 118.68 128.35 3gj0 s LEU 13 Ca 0.48 -0.55 -0.11 0.00 0.69 0.00 0.00 54.13 54.64 3gj0 s LEU 13 Cb -0.18 -1.53 -0.05 0.00 -0.43 0.00 0.00 46.19 44.00 3gj0 s LEU 13 CO 0.11 0.04 0.22 0.68 -0.29 0.00 0.00 176.35 177.11 3gj0 s VAL 14 N 1.07 5.35 -0.31 1.68 -7.23 -0.85 -0.78 120.40 119.33 3gj0 s VAL 14 Ca -0.00 0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 60.52 3gj0 s VAL 14 Cb -0.14 -3.54 0.04 0.00 0.56 0.00 0.00 36.38 33.30 3gj0 s VAL 14 CO -0.06 0.47 0.04 -0.22 -0.31 0.00 0.00 175.10 175.02 3gj0 s LEU 15 N 0.00 4.05 0.24 1.32 2.96 -1.17 -1.23 118.68 124.85 3gj0 s LEU 15 Ca 0.14 -1.20 0.05 0.00 -0.22 0.00 0.00 54.13 52.90 3gj0 s LEU 15 Cb -0.12 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3gj0 s LEU 15 CO 0.03 -0.28 -0.05 0.68 -1.32 0.00 0.00 176.35 175.41 3gj0 s VAL 16 N 1.32 1.35 0.00 1.68 -7.23 -0.54 -4.60 120.40 112.38 3gj0 s VAL 16 Ca -0.04 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 3gj0 s VAL 16 Cb -0.20 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.42 3gj0 s VAL 16 CO 0.00 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 3gj0 n GLY 17 N -0.47 3.19 3.62 2.32 0.00 -1.26 -0.30 105.19 112.30 3gj0 n GLY 17 Ca -0.06 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 3gj0 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gj0 n ASP 18 N 0.00 0.55 -4.73 1.61 9.92 -1.26 -4.92 116.55 117.72 3gj0 n ASP 18 Ca 0.00 0.66 -0.40 0.00 -0.53 0.00 0.00 54.79 54.51 3gj0 n ASP 18 Cb 0.00 -1.42 0.01 0.00 -0.64 0.00 0.00 41.12 39.08 3gj0 n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gj0 n GLY 19 N 1.04 0.78 2.08 0.44 0.00 -1.26 -2.73 105.19 105.54 3gj0 n GLY 19 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3gj0 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj0 n GLY 20 N 0.69 0.74 0.08 -0.02 0.00 -1.26 -4.92 105.19 100.51 3gj0 n GLY 20 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3gj0 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gj0 n THR 21 N -2.44 0.47 0.00 2.61 -2.24 -1.11 -4.92 114.28 106.65 3gj0 n THR 21 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3gj0 n THR 21 Cb 0.00 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3gj0 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gj0 n GLY 22 N 1.34 1.50 0.09 3.38 0.00 -1.26 -4.57 105.19 105.67 3gj0 n GLY 22 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3gj0 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gj0 h LYS 23 N 0.00 -0.10 -0.45 1.61 1.57 -1.91 -0.19 116.57 117.10 3gj0 h LYS 23 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3gj0 h LYS 23 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3gj0 h LYS 23 CO 0.00 -0.06 -0.06 1.15 -0.57 0.00 0.00 179.45 179.90 3gj0 h THR 24 N -0.10 1.27 -1.00 -0.16 2.02 -1.96 -1.49 112.91 111.50 3gj0 h THR 24 Ca 0.01 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.07 3gj0 h THR 24 Cb 0.11 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 3gj0 h THR 24 CO -0.03 0.39 0.66 0.74 0.37 0.00 0.00 175.52 177.65 3gj0 h THR 25 N 0.67 1.19 0.43 3.16 2.02 -1.94 -1.76 112.91 116.69 3gj0 h THR 25 Ca 0.12 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3gj0 h THR 25 Cb 0.59 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3gj0 h THR 25 CO 0.04 0.24 -0.21 0.15 0.37 0.00 0.00 175.52 176.10 3gj0 h PHE 26 N 1.29 -0.54 -0.37 3.16 3.57 -0.72 -3.13 116.94 120.19 3gj0 h PHE 26 Ca 0.39 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3gj0 h PHE 26 Cb -0.04 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3gj0 h PHE 26 CO -0.00 -0.24 0.17 -0.24 -2.23 0.00 0.00 178.31 175.77 3gj0 h VAL 27 N -0.79 1.13 0.00 1.41 3.04 -1.13 -2.27 116.25 117.64 3gj0 h VAL 27 Ca -0.06 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3gj0 h VAL 27 Cb 0.54 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3gj0 h VAL 27 CO 0.10 0.16 0.00 0.29 -1.01 0.00 0.00 177.57 177.10 3gj0 n LYS 28 N -4.41 0.02 0.22 4.17 5.02 -0.67 -2.75 118.16 119.76 3gj0 n LYS 28 Ca 0.02 0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.65 3gj0 n LYS 28 Cb 0.12 -1.54 0.58 0.00 -0.02 0.00 0.00 35.03 34.17 3gj0 n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gj0 h ARG 29 N 0.00 0.07 -6.56 1.97 2.47 -1.36 -3.39 114.38 107.58 3gj0 h ARG 29 Ca 0.00 -0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3gj0 h ARG 29 Cb 0.27 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.50 3gj0 h ARG 29 CO 0.00 0.09 0.87 -1.58 0.56 0.00 0.00 179.97 179.91 3gj0 s HIS 30 N -5.01 2.78 0.16 3.04 2.46 -1.11 -0.97 115.29 116.63 3gj0 s HIS 30 Ca -0.05 0.56 -0.10 0.00 0.47 0.00 0.00 55.06 55.93 3gj0 s HIS 30 Cb 0.17 -4.37 0.02 0.00 -0.13 0.00 0.00 32.58 28.26 3gj0 s HIS 30 CO 0.68 -1.33 1.57 -0.07 -2.47 0.00 0.00 174.74 173.13 3gj0 h LEU 31 N 11.28 1.01 -0.52 8.88 3.38 -1.56 -2.10 115.31 135.68 3gj0 h LEU 31 Ca -0.24 -0.37 -0.16 0.00 0.09 0.00 0.00 57.88 57.21 3gj0 h LEU 31 Cb 1.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3gj0 h LEU 31 CO 1.13 1.14 -0.54 0.74 0.09 0.00 0.00 178.44 181.00 3gj0 h THR 32 N 0.86 1.32 -0.26 0.22 2.02 -1.91 -1.26 112.91 113.90 3gj0 h THR 32 Ca 0.13 -1.78 0.01 0.00 0.77 0.00 0.00 66.41 65.54 3gj0 h THR 32 Cb 0.71 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 3gj0 h THR 32 CO 0.05 0.56 0.18 1.23 0.37 0.00 0.00 175.52 177.91 3gj0 h GLY 33 N 1.05 0.33 0.86 2.16 0.00 -1.60 -0.01 103.07 105.87 3gj0 h GLY 33 Ca 0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 3gj0 h GLY 33 CO 0.10 0.11 -0.85 -2.09 0.00 0.00 0.00 176.54 173.81 3gj0 h GLU 34 N 0.30 0.42 -0.92 4.80 4.57 -1.01 -2.60 114.58 120.15 3gj0 h GLU 34 Ca 0.10 -0.57 0.07 0.00 -1.18 0.00 0.00 59.36 57.78 3gj0 h GLU 34 Cb 0.04 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 3gj0 h GLU 34 CO -0.02 1.23 0.60 0.35 -1.18 0.00 0.00 179.01 179.99 3gj0 h PHE 35 N -0.11 1.06 -0.64 0.92 3.57 -0.84 -2.99 116.94 117.90 3gj0 h PHE 35 Ca -0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3gj0 h PHE 35 Cb 1.60 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3gj0 h PHE 35 CO 0.16 0.53 0.00 0.39 -2.23 0.00 0.00 178.31 177.16 3gj0 n GLU 36 N -4.50 3.49 -1.69 1.11 1.02 -0.05 -5.00 120.64 115.01 3gj0 n GLU 36 Ca 0.14 -2.81 -0.34 0.00 -0.02 0.00 0.00 57.16 54.13 3gj0 n GLU 36 Cb 0.22 -1.80 0.06 0.00 -0.02 0.00 0.00 31.44 29.90 3gj0 n GLU 36 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3gj0 s LYS 37 N -1.68 2.62 -0.05 3.49 -2.85 -0.98 -4.64 119.74 115.66 3gj0 s LYS 37 Ca 0.49 1.56 0.02 0.00 -1.00 0.00 0.00 55.97 57.04 3gj0 s LYS 37 Cb 0.31 -1.91 0.02 0.00 -2.06 0.00 0.00 37.83 34.18 3gj0 s LYS 37 CO 0.26 -1.43 -0.08 -1.59 0.10 0.00 0.00 175.35 172.61 3gj0 s LYS 38 N -3.92 1.17 -0.21 1.78 -2.85 -0.16 -4.95 119.74 110.59 3gj0 s LYS 38 Ca 0.71 -0.25 -0.19 0.00 -1.00 0.00 0.00 55.97 55.24 3gj0 s LYS 38 Cb -0.24 -1.05 -0.03 0.00 -2.06 0.00 0.00 37.83 34.45 3gj0 s LYS 38 CO 0.41 -0.01 0.54 -0.47 0.10 0.00 0.00 175.35 175.92 3gj0 s TYR 39 N 0.70 3.35 -0.46 1.78 5.04 -1.26 -0.12 117.35 126.38 3gj0 s TYR 39 Ca -0.12 0.77 -0.17 0.00 -2.44 0.00 0.00 57.07 55.12 3gj0 s TYR 39 Cb -0.14 -2.70 0.05 0.00 0.35 0.00 0.00 41.96 39.52 3gj0 s TYR 39 CO 0.02 -0.15 0.44 0.08 -1.34 0.00 0.00 175.55 174.60 3gj0 s VAL 40 N 1.82 5.13 0.20 3.14 1.01 0.46 -4.98 120.40 127.18 3gj0 s VAL 40 Ca 0.24 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 3gj0 s VAL 40 Cb -0.15 -4.12 0.14 0.00 0.00 0.00 0.00 36.38 32.25 3gj0 s VAL 40 CO 0.10 -0.56 1.81 0.00 0.00 0.00 0.00 175.10 176.44 3gj0 h ALA 41 N 8.79 0.97 -0.20 5.51 0.00 -1.96 0.86 119.26 133.22 3gj0 h ALA 41 Ca -0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3gj0 h ALA 41 Cb 1.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gj0 h ALA 41 CO 0.86 0.51 0.03 1.79 0.00 0.00 0.00 179.25 182.45 3gj0 h THR 42 N 1.05 1.11 0.00 0.00 1.35 -1.97 -2.97 112.91 111.48 3gj0 h THR 42 Ca 0.26 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3gj0 h THR 42 Cb 0.08 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3gj0 h THR 42 CO -0.04 0.14 -1.80 0.18 -0.25 0.00 0.00 175.52 173.75 3gj0 n LEU 43 N -4.40 0.01 -2.65 3.87 4.77 -1.10 -5.02 117.00 112.48 3gj0 n LEU 43 Ca 0.00 -0.01 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3gj0 n LEU 43 Cb 0.16 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 3gj0 n LEU 43 CO 0.36 0.00 0.12 0.61 -1.33 0.00 0.00 177.39 177.16 3gj0 n GLY 44 N 1.49 -0.72 2.93 -0.72 0.00 0.28 -4.95 105.19 103.49 3gj0 n GLY 44 Ca -0.03 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 3gj0 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gj0 s VAL 45 N -3.15 0.05 -0.24 1.61 0.11 -1.14 -3.03 120.40 114.61 3gj0 s VAL 45 Ca 0.17 -0.38 -0.07 0.00 -2.93 0.00 0.00 61.98 58.78 3gj0 s VAL 45 Cb -0.02 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 3gj0 s VAL 45 CO 0.52 -0.21 0.05 -1.61 -3.33 0.00 0.00 175.10 170.52 3gj0 s GLU 46 N -0.61 3.60 -0.27 1.54 2.02 -0.30 -0.41 118.70 124.27 3gj0 s GLU 46 Ca -0.07 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.27 3gj0 s GLU 46 Cb -0.04 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3gj0 s GLU 46 CO -0.00 -0.19 0.36 0.08 0.02 0.00 0.00 175.26 175.53 3gj0 s VAL 47 N 1.59 5.18 -0.28 2.63 1.01 0.83 -1.22 120.40 130.14 3gj0 s VAL 47 Ca 0.06 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 3gj0 s VAL 47 Cb -0.15 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 3gj0 s VAL 47 CO 0.02 0.17 0.15 -1.00 0.00 0.00 0.00 175.10 174.44 3gj0 s HIS 48 N 2.00 3.17 -0.62 5.22 3.76 0.17 -0.99 115.29 128.00 3gj0 s HIS 48 Ca 0.15 -0.23 -0.25 0.00 -0.15 0.00 0.00 55.06 54.58 3gj0 s HIS 48 Cb -0.16 -2.34 0.05 0.00 1.11 0.00 0.00 32.58 31.24 3gj0 s HIS 48 CO 0.10 -0.31 1.03 -1.25 -0.85 0.00 0.00 174.74 173.46 3gj0 s PRO 49 N 1.68 3.26 -0.46 8.40 0.04 -1.26 -0.68 135.00 145.98 3gj0 s PRO 49 Ca 0.06 -0.38 -0.15 0.00 0.04 0.00 0.00 61.00 60.57 3gj0 s PRO 49 Cb -0.16 -4.13 0.07 0.00 0.04 0.00 0.00 34.50 30.32 3gj0 s PRO 49 CO 0.08 -1.72 0.37 -0.51 0.04 0.00 0.00 177.00 175.25 3gj0 s LEU 50 N 4.39 5.51 0.03 -3.56 1.02 0.48 -3.82 118.68 122.73 3gj0 s LEU 50 Ca 0.30 -1.30 -0.22 0.00 0.02 0.00 0.00 54.13 52.93 3gj0 s LEU 50 Cb -0.13 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.87 3gj0 s LEU 50 CO 0.16 -0.61 0.65 -0.69 0.02 0.00 0.00 176.35 175.88 3gj0 s VAL 51 N 1.62 4.82 0.04 -1.59 1.01 -1.26 -0.89 120.40 124.15 3gj0 s VAL 51 Ca 0.04 1.37 0.08 0.00 0.00 0.00 0.00 61.98 63.46 3gj0 s VAL 51 Cb -0.24 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3gj0 s VAL 51 CO 0.06 0.42 -0.22 -0.36 0.00 0.00 0.00 175.10 175.01 3gj0 s PHE 52 N -0.29 1.94 -0.30 5.22 0.40 0.39 -4.79 117.98 120.54 3gj0 s PHE 52 Ca 0.33 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 3gj0 s PHE 52 Cb -0.19 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3gj0 s PHE 52 CO 0.19 0.10 0.12 -1.01 0.70 0.00 0.00 175.22 175.32 3gj0 s HIS 53 N -0.80 3.16 0.45 0.36 3.76 -1.26 -0.69 115.29 120.27 3gj0 s HIS 53 Ca 0.08 -0.78 0.08 0.00 -0.15 0.00 0.00 55.06 54.29 3gj0 s HIS 53 Cb -0.09 -2.31 0.01 0.00 1.11 0.00 0.00 32.58 31.30 3gj0 s HIS 53 CO 0.02 -0.52 0.50 0.95 -0.85 0.00 0.00 174.74 174.84 3gj0 s THR 54 N 1.56 2.60 -1.55 1.30 -4.23 -0.21 -0.74 115.64 114.36 3gj0 s THR 54 Ca 0.04 -1.20 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 3gj0 s THR 54 Cb -0.17 -2.80 0.29 0.00 1.34 0.00 0.00 72.50 71.16 3gj0 s THR 54 CO 0.04 0.00 1.38 -0.46 -0.54 0.00 0.00 174.62 175.04 3gj0 n ASN 55 N -1.77 0.00 -0.14 3.99 6.94 -0.61 -1.65 115.26 122.03 3gj0 n ASN 55 Ca 0.06 -0.04 0.09 0.00 -0.02 0.00 0.00 54.58 54.68 3gj0 n ASN 55 Cb 0.61 -0.23 0.14 0.00 -2.36 0.00 0.00 39.78 37.94 3gj0 n ASN 55 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3gj0 n ARG 56 N -1.23 1.57 0.00 -3.83 1.74 -1.26 -5.05 116.66 108.60 3gj0 n ARG 56 Ca 0.08 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.65 3gj0 n ARG 56 Cb 0.10 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3gj0 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gj0 n GLY 57 N -1.27 -2.42 3.79 -0.13 0.00 -0.66 -5.02 105.19 99.47 3gj0 n GLY 57 Ca 0.15 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 3gj0 n GLY 57 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gj0 s PRO 58 N -0.57 4.26 -0.01 1.61 0.02 -1.26 -1.05 135.00 138.00 3gj0 s PRO 58 Ca 0.00 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.49 3gj0 s PRO 58 Cb 0.00 -2.56 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 3gj0 s PRO 58 CO 0.00 -0.04 -0.11 -1.50 -0.33 0.00 0.00 177.00 175.02 3gj0 s ILE 59 N -1.70 0.88 -0.14 2.83 2.07 0.13 -4.58 121.20 120.70 3gj0 s ILE 59 Ca 0.56 -0.46 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 3gj0 s ILE 59 Cb -0.20 -0.75 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 3gj0 s ILE 59 CO 0.25 0.26 -0.15 -0.75 -1.91 0.00 0.00 174.94 172.64 3gj0 s LYS 60 N -0.16 3.27 -0.33 3.50 2.20 -0.22 -0.46 119.74 127.55 3gj0 s LYS 60 Ca 0.03 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 3gj0 s LYS 60 Cb -0.05 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 3gj0 s LYS 60 CO -0.00 0.11 0.20 -0.06 -0.36 0.00 0.00 175.35 175.24 3gj0 s PHE 61 N 0.58 3.21 -0.69 4.03 0.08 -0.07 -0.98 117.98 124.14 3gj0 s PHE 61 Ca -0.09 -0.37 -0.24 0.00 0.12 0.00 0.00 56.93 56.35 3gj0 s PHE 61 Cb -0.16 -2.42 0.06 0.00 -0.57 0.00 0.00 43.02 39.93 3gj0 s PHE 61 CO 0.03 -0.40 1.07 -0.80 -0.10 0.00 0.00 175.22 175.03 3gj0 s ASN 62 N 1.67 6.17 -0.23 1.36 0.02 0.41 -0.39 114.94 123.96 3gj0 s ASN 62 Ca 0.05 -0.80 -0.20 0.00 -1.02 0.00 0.00 52.86 50.89 3gj0 s ASN 62 Cb -0.17 -2.47 -0.02 0.00 0.02 0.00 0.00 41.25 38.61 3gj0 s ASN 62 CO 0.09 -1.58 0.61 -0.69 0.02 0.00 0.00 177.10 175.55 3gj0 s VAL 63 N 4.64 5.01 -0.49 1.60 1.01 0.14 -1.20 120.40 131.12 3gj0 s VAL 63 Ca 0.27 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 3gj0 s VAL 63 Cb -0.14 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3gj0 s VAL 63 CO 0.12 0.07 0.75 0.26 0.00 0.00 0.00 175.10 176.30 3gj0 s TRP 64 N 2.20 2.97 -0.15 5.22 0.52 0.04 -0.65 118.94 129.08 3gj0 s TRP 64 Ca 0.26 -0.12 -0.07 0.00 0.02 0.00 0.00 56.10 56.19 3gj0 s TRP 64 Cb -0.16 -3.66 -0.04 0.00 -1.15 0.00 0.00 33.47 28.47 3gj0 s TRP 64 CO 0.09 -1.06 0.10 0.34 0.02 0.00 0.00 176.95 176.44 3gj0 s ASP 65 N 2.43 5.99 0.91 2.95 2.15 -0.36 -3.05 116.67 127.69 3gj0 s ASP 65 Ca 0.24 0.27 -0.11 0.00 0.43 0.00 0.00 52.55 53.38 3gj0 s ASP 65 Cb -0.15 -1.96 0.14 0.00 -0.30 0.00 0.00 42.92 40.65 3gj0 s ASP 65 CO 0.18 0.29 1.09 0.42 -0.17 0.00 0.00 175.17 176.98 3gj0 s THR 66 N -0.32 2.61 -0.49 1.71 -4.23 -1.26 -1.15 115.64 112.50 3gj0 s THR 66 Ca 0.10 0.20 0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3gj0 s THR 66 Cb -0.12 -2.61 0.63 0.00 1.34 0.00 0.00 72.50 71.74 3gj0 s THR 66 CO 0.01 -0.26 1.93 0.00 -0.54 0.00 0.00 174.62 175.77 3gj0 n ALA 67 N -3.97 5.73 -0.56 3.99 0.00 -1.17 -4.66 120.51 119.87 3gj0 n ALA 67 Ca 0.07 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.50 3gj0 n ALA 67 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3gj0 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gj0 n GLY 68 N -1.11 0.74 0.28 0.00 0.00 -1.26 -4.94 105.19 98.90 3gj0 n GLY 68 Ca 0.60 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.80 3gj0 n GLY 68 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3gj0 h GLN 69 N 2.95 0.00 0.00 1.61 -0.00 -1.91 -1.74 115.11 116.01 3gj0 h GLN 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3gj0 h GLN 69 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3gj0 h GLN 69 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 178.83 179.88 3gj0 h GLU 70 N 0.00 0.00 0.00 0.06 9.09 -1.85 -1.73 114.58 120.15 3gj0 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3gj0 h GLU 70 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 3gj0 h GLU 70 CO 0.00 0.00 0.00 0.87 0.05 0.00 0.00 179.01 179.93 3gj0 h LYS 71 N 0.00 0.00 0.00 1.06 1.57 -1.71 -3.28 116.57 114.22 3gj0 h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gj0 h LYS 71 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3gj0 h LYS 71 CO 0.00 0.00 -0.05 1.97 -0.57 0.00 0.00 179.45 180.80 3gj0 n PHE 72 N -2.67 0.00 -3.82 -1.35 1.16 -0.68 -5.06 117.46 105.05 3gj0 n PHE 72 Ca 0.03 -0.43 0.00 0.00 -1.87 0.00 0.00 57.45 55.18 3gj0 n PHE 72 Cb 0.36 -0.06 0.00 0.00 -1.61 0.00 0.00 39.48 38.17 3gj0 n PHE 72 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gj0 n GLY 73 N -0.52 -1.07 3.40 4.97 0.00 -1.06 -5.15 105.19 105.76 3gj0 n GLY 73 Ca 0.03 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 3gj0 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gj0 n GLY 74 N 0.00 -1.01 3.90 -0.02 0.00 -1.26 -4.03 105.19 102.77 3gj0 n GLY 74 Ca 0.00 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3gj0 n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gj0 s LEU 75 N 0.00 4.33 0.71 0.99 1.43 -1.26 -4.73 118.68 120.15 3gj0 s LEU 75 Ca 0.65 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 3gj0 s LEU 75 Cb -0.02 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.47 3gj0 s LEU 75 CO 0.45 0.22 1.07 -0.13 0.23 0.00 0.00 176.35 178.19 3gj0 s ARG 76 N -2.20 2.74 0.32 1.70 0.52 -1.26 -4.93 118.95 115.85 3gj0 s ARG 76 Ca 0.31 1.05 0.01 0.00 -0.52 0.00 0.00 55.73 56.58 3gj0 s ARG 76 Cb -0.13 -1.96 0.57 0.00 0.52 0.00 0.00 34.95 33.95 3gj0 s ARG 76 CO 0.23 -1.26 1.94 -0.44 0.02 0.00 0.00 175.30 175.79 3gj0 h ASP 77 N -0.77 0.85 -0.09 0.23 5.19 -2.00 -0.60 116.42 119.23 3gj0 h ASP 77 Ca -0.44 -0.00 0.02 0.00 -0.62 0.00 0.00 57.03 55.99 3gj0 h ASP 77 Cb 1.22 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 3gj0 h ASP 77 CO 0.55 0.56 0.09 1.23 -3.12 0.00 0.00 179.24 178.55 3gj0 h GLY 78 N 0.97 0.00 0.70 2.75 0.00 -1.96 0.37 103.07 105.91 3gj0 h GLY 78 Ca 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 3gj0 h GLY 78 CO -0.12 0.00 -0.05 -1.82 0.00 0.00 0.00 176.54 174.55 3gj0 h TYR 79 N 0.00 0.26 0.00 5.60 5.03 -1.46 -3.31 116.97 123.09 3gj0 h TYR 79 Ca 0.04 -0.06 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 3gj0 h TYR 79 Cb 0.22 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 3gj0 h TYR 79 CO 0.00 0.58 -0.67 1.88 -1.32 0.00 0.00 178.16 178.63 3gj0 h TYR 80 N -0.13 0.00 -3.07 -3.82 0.05 -1.22 -3.46 116.97 105.32 3gj0 h TYR 80 Ca 0.02 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.24 3gj0 h TYR 80 Cb 0.51 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.34 3gj0 h TYR 80 CO 0.07 0.67 0.66 1.51 -1.05 0.00 0.00 178.16 180.02 3gj0 n ILE 81 N -3.39 1.31 -1.04 -2.88 0.13 -0.00 -1.53 119.36 111.96 3gj0 n ILE 81 Ca 0.01 -0.33 -0.01 0.00 -1.10 0.00 0.00 62.75 61.32 3gj0 n ILE 81 Cb 0.75 -1.65 -0.01 0.00 -0.84 0.00 0.00 39.64 37.90 3gj0 n ILE 81 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3gj0 n GLN 82 N 1.58 -1.15 -1.80 9.51 1.13 -1.26 -4.97 117.38 120.42 3gj0 n GLN 82 Ca 0.08 0.36 -0.41 0.00 -1.94 0.00 0.00 57.00 55.09 3gj0 n GLN 82 Cb 0.34 -4.26 -0.00 0.00 0.11 0.00 0.00 30.24 26.43 3gj0 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gj0 s ALA 83 N -1.51 3.58 -0.57 -1.58 0.00 -0.58 -4.72 121.76 116.38 3gj0 s ALA 83 Ca 0.00 1.58 0.16 0.00 0.00 0.00 0.00 51.96 53.70 3gj0 s ALA 83 Cb 0.00 -3.61 -0.20 0.00 0.00 0.00 0.00 23.12 19.31 3gj0 s ALA 83 CO 0.00 -1.06 0.60 1.04 0.00 0.00 0.00 175.76 176.35 3gj0 n GLN 84 N 0.49 1.31 -3.70 0.00 6.02 -0.03 -4.98 117.38 116.49 3gj0 n GLN 84 Ca 0.01 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 56.92 3gj0 n GLN 84 Cb 0.39 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.33 3gj0 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gj0 s ALA 86 N -3.19 -1.08 -0.11 0.00 0.00 -0.85 -2.01 121.76 114.53 3gj0 s ALA 86 Ca 0.11 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3gj0 s ALA 86 Cb -0.01 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.60 3gj0 s ALA 86 CO -0.00 -0.54 -0.20 0.42 0.00 0.00 0.00 175.76 175.44 3gj0 s ILE 87 N -2.94 1.81 -0.24 0.00 1.01 -0.37 -1.56 121.20 118.93 3gj0 s ILE 87 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 3gj0 s ILE 87 Cb 0.00 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3gj0 s ILE 87 CO -0.06 0.50 0.11 -0.63 0.00 0.00 0.00 174.94 174.87 3gj0 s ILE 88 N 0.61 4.83 0.03 2.92 1.01 0.15 -1.47 121.20 129.28 3gj0 s ILE 88 Ca -0.13 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3gj0 s ILE 88 Cb -0.17 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 3gj0 s ILE 88 CO 0.04 0.35 -0.03 -0.32 0.00 0.00 0.00 174.94 174.98 3gj0 s MET 89 N 1.21 2.60 0.29 2.79 1.75 0.59 -0.75 119.30 127.78 3gj0 s MET 89 Ca 0.06 -0.73 0.03 0.00 -1.25 0.00 0.00 55.69 53.79 3gj0 s MET 89 Cb -0.14 -2.55 -0.04 0.00 2.84 0.00 0.00 34.83 34.94 3gj0 s MET 89 CO 0.05 0.59 0.16 -0.59 -0.65 0.00 0.00 175.02 174.57 3gj0 s PHE 90 N -1.11 1.54 -0.21 4.11 -0.12 -0.40 -4.06 117.98 117.72 3gj0 s PHE 90 Ca 0.20 -1.38 -0.03 0.00 -0.05 0.00 0.00 56.93 55.67 3gj0 s PHE 90 Cb -0.11 -0.80 -0.00 0.00 -0.63 0.00 0.00 43.02 41.47 3gj0 s PHE 90 CO 0.11 -0.56 -0.07 0.34 -0.05 0.00 0.00 175.22 175.00 3gj0 s ASP 91 N -3.33 4.12 0.00 1.98 -1.08 -1.26 -0.51 116.67 116.59 3gj0 s ASP 91 Ca 0.37 -0.43 0.13 0.00 -0.52 0.00 0.00 52.55 52.10 3gj0 s ASP 91 Cb 0.05 -1.70 0.64 0.00 -1.46 0.00 0.00 42.92 40.46 3gj0 s ASP 91 CO 0.17 -0.02 1.34 1.33 0.52 0.00 0.00 175.17 178.52 3gj0 n VAL 92 N 4.76 0.71 0.99 1.11 0.24 -0.39 -1.48 118.33 124.28 3gj0 n VAL 92 Ca -0.19 0.18 0.12 0.00 -2.04 0.00 0.00 64.34 62.41 3gj0 n VAL 92 Cb 0.51 -0.96 0.24 0.00 -1.47 0.00 0.00 33.84 32.16 3gj0 n VAL 92 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3gj0 n THR 93 N -1.31 0.12 -3.66 3.34 -2.24 -1.26 -0.60 114.28 108.66 3gj0 n THR 93 Ca 0.06 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 3gj0 n THR 93 Cb 0.11 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 3gj0 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3gj0 s SER 94 N -1.86 3.73 0.36 3.42 0.15 -0.55 -4.75 113.70 114.22 3gj0 s SER 94 Ca 0.33 -1.43 0.05 0.00 0.70 0.00 0.00 55.95 55.60 3gj0 s SER 94 Cb 0.21 -0.65 0.71 0.00 -1.71 0.00 0.00 66.02 64.58 3gj0 s SER 94 CO 0.31 -0.41 1.98 0.03 1.20 0.00 0.00 173.24 176.35 3gj0 h ARG 95 N 8.22 0.76 -0.53 5.44 3.08 -1.87 -1.78 114.38 127.70 3gj0 h ARG 95 Ca -0.16 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 59.90 3gj0 h ARG 95 Cb 1.02 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3gj0 h ARG 95 CO 0.45 0.50 0.35 -0.24 -1.07 0.00 0.00 179.97 179.96 3gj0 h VAL 96 N 0.78 0.99 -0.06 2.04 3.04 -1.95 -1.15 116.25 119.94 3gj0 h VAL 96 Ca 0.28 -0.17 -0.11 0.00 -1.01 0.00 0.00 66.70 65.69 3gj0 h VAL 96 Cb 0.12 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.84 3gj0 h VAL 96 CO -0.08 0.09 -0.45 0.71 -1.01 0.00 0.00 177.57 176.83 3gj0 h THR 97 N 0.49 1.33 -0.18 3.17 1.35 -1.63 -1.40 112.91 116.04 3gj0 h THR 97 Ca 0.23 -1.59 -0.19 0.00 -0.55 0.00 0.00 66.41 64.31 3gj0 h THR 97 Cb 0.29 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3gj0 h THR 97 CO -0.06 0.47 -0.65 0.22 -0.25 0.00 0.00 175.52 175.25 3gj0 h TYR 98 N 0.11 0.84 0.00 4.73 3.20 -1.34 -3.13 116.97 121.40 3gj0 h TYR 98 Ca 0.01 -0.33 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 3gj0 h TYR 98 Cb 0.84 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 3gj0 h TYR 98 CO 0.01 1.12 -0.08 0.87 -1.64 0.00 0.00 178.16 178.44 3gj0 h LYS 99 N 0.47 0.00 -0.00 1.82 1.79 -0.61 -2.08 116.57 117.96 3gj0 h LYS 99 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3gj0 h LYS 99 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3gj0 h LYS 99 CO 0.13 0.08 -0.23 0.09 -1.08 0.00 0.00 179.45 178.44 3gj0 n ASN 100 N -3.69 0.53 -0.28 0.86 3.02 -0.59 -4.23 115.26 110.89 3gj0 n ASN 100 Ca -0.02 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3gj0 n ASN 100 Cb 0.19 -0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3gj0 n ASN 100 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3gj0 h VAL 101 N 0.47 1.01 -0.55 2.41 2.07 -1.36 -1.99 116.25 118.31 3gj0 h VAL 101 Ca 0.00 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3gj0 h VAL 101 Cb 0.45 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3gj0 h VAL 101 CO 0.00 0.16 0.36 -0.65 0.02 0.00 0.00 177.57 177.46 3gj0 h PRO 102 N 0.86 0.67 -0.54 1.57 0.11 -1.78 -0.50 132.00 132.39 3gj0 h PRO 102 Ca 0.35 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 3gj0 h PRO 102 Cb 0.19 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 3gj0 h PRO 102 CO -0.18 0.45 0.06 -0.91 -0.21 0.00 0.00 178.00 177.20 3gj0 h ASN 103 N 0.69 0.89 -0.50 -2.05 -0.26 -1.65 -0.56 115.58 112.15 3gj0 h ASN 103 Ca 0.21 -0.28 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 3gj0 h ASN 103 Cb -0.00 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 3gj0 h ASN 103 CO -0.05 0.94 0.18 -0.50 -1.06 0.00 0.00 177.43 176.95 3gj0 h TRP 104 N 0.80 0.77 -0.64 1.19 4.06 -0.99 -1.75 115.95 119.39 3gj0 h TRP 104 Ca 0.16 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 3gj0 h TRP 104 Cb 0.45 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 3gj0 h TRP 104 CO 0.03 0.65 0.39 1.25 -3.56 0.00 0.00 178.44 177.21 3gj0 h HIS 105 N 0.66 0.85 -0.28 0.49 2.76 -0.96 -0.71 115.15 117.95 3gj0 h HIS 105 Ca 0.16 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3gj0 h HIS 105 Cb 0.22 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3gj0 h HIS 105 CO 0.01 0.57 0.18 -0.09 -1.30 0.00 0.00 177.93 177.30 3gj0 h ARG 106 N 0.87 0.36 -0.57 5.26 2.43 -0.87 -0.89 114.38 120.99 3gj0 h ARG 106 Ca 0.23 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3gj0 h ARG 106 Cb -0.03 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3gj0 h ARG 106 CO -0.04 0.24 0.21 -0.44 -1.51 0.00 0.00 179.97 178.42 3gj0 h ASP 107 N 0.37 0.80 0.49 -3.80 3.32 -1.08 -1.80 116.42 114.73 3gj0 h ASP 107 Ca 0.10 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3gj0 h ASP 107 Cb -0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3gj0 h ASP 107 CO -0.03 0.77 -0.24 0.25 -1.72 0.00 0.00 179.24 178.27 3gj0 h LEU 108 N 0.78 -0.56 -0.32 1.55 5.85 -0.86 -3.21 115.31 118.54 3gj0 h LEU 108 Ca 0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3gj0 h LEU 108 Cb 0.24 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3gj0 h LEU 108 CO -0.01 -0.36 0.00 -0.37 -0.34 0.00 0.00 178.44 177.35 3gj0 h VAL 109 N -0.71 0.00 -0.95 1.05 -1.51 -1.10 0.28 116.25 113.29 3gj0 h VAL 109 Ca -0.07 -0.47 0.03 0.00 -1.23 0.00 0.00 66.70 64.96 3gj0 h VAL 109 Cb 0.53 1.39 -0.05 0.00 -2.13 0.00 0.00 31.29 31.03 3gj0 h VAL 109 CO 0.11 0.00 0.63 -0.09 -1.23 0.00 0.00 177.57 176.99 3gj0 h ARG 110 N 0.00 1.20 0.02 5.19 2.43 -1.32 -3.22 114.38 118.67 3gj0 h ARG 110 Ca 0.00 -0.07 -0.33 0.00 -0.81 0.00 0.00 59.98 58.77 3gj0 h ARG 110 Cb 0.64 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3gj0 h ARG 110 CO 0.00 0.79 -1.96 0.28 -1.51 0.00 0.00 179.97 177.57 3gj0 n VAL 111 N -4.42 1.57 -3.80 0.20 0.31 -0.86 -4.76 118.33 106.57 3gj0 n VAL 111 Ca 0.12 -0.78 -0.30 0.00 -0.01 0.00 0.00 64.34 63.37 3gj0 n VAL 111 Cb 0.07 -1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 31.87 3gj0 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gj0 s GLU 113 N 0.02 4.64 -1.72 0.00 -1.05 -1.22 -4.04 118.70 115.33 3gj0 s GLU 113 Ca 0.18 1.51 0.00 0.00 -0.15 0.00 0.00 54.97 56.51 3gj0 s GLU 113 Cb -0.23 -3.37 0.00 0.00 -0.44 0.00 0.00 34.13 30.08 3gj0 s GLU 113 CO -0.01 0.11 0.00 -1.71 0.95 0.00 0.00 175.26 174.60 3gj0 n ASN 114 N 3.00 -5.36 -4.85 0.83 5.15 -1.26 -5.01 115.26 107.76 3gj0 n ASN 114 Ca 0.03 0.13 -0.31 0.00 -0.60 0.00 0.00 54.58 53.83 3gj0 n ASN 114 Cb 0.49 -4.44 -0.03 0.00 -0.53 0.00 0.00 39.78 35.27 3gj0 n ASN 114 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3gj0 s ILE 115 N -2.86 4.63 0.28 -1.44 -4.36 -1.26 -5.03 121.20 111.16 3gj0 s ILE 115 Ca 0.00 1.00 -0.29 0.00 -0.26 0.00 0.00 60.65 61.10 3gj0 s ILE 115 Cb 0.00 -3.73 -0.10 0.00 1.25 0.00 0.00 42.46 39.88 3gj0 s ILE 115 CO 0.00 -0.65 1.27 -2.16 0.24 0.00 0.00 174.94 173.64 3gj0 s PRO 116 N -4.04 4.42 -0.02 0.37 0.04 -1.26 -4.92 135.00 129.59 3gj0 s PRO 116 Ca 0.56 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3gj0 s PRO 116 Cb -0.10 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.33 3gj0 s PRO 116 CO 0.32 -0.13 -0.00 0.42 0.04 0.00 0.00 177.00 177.65 3gj0 s ILE 117 N -0.78 0.15 -0.11 0.56 1.01 -1.26 -2.00 121.20 118.76 3gj0 s ILE 117 Ca 0.50 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.20 3gj0 s ILE 117 Cb -0.37 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 3gj0 s ILE 117 CO 0.46 0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.79 3gj0 s VAL 118 N 0.79 3.87 -0.18 2.92 1.01 -0.60 -2.79 120.40 125.43 3gj0 s VAL 118 Ca -0.08 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 3gj0 s VAL 118 Cb -0.11 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3gj0 s VAL 118 CO -0.02 0.55 0.23 -0.22 0.00 0.00 0.00 175.10 175.65 3gj0 s LEU 119 N -0.26 4.22 -0.08 3.92 2.96 0.40 -0.68 118.68 129.16 3gj0 s LEU 119 Ca 0.04 0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3gj0 s LEU 119 Cb -0.13 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3gj0 s LEU 119 CO 0.02 0.12 -0.17 0.00 -1.32 0.00 0.00 176.35 175.01 3gj0 s GLY 121 N 0.54 1.97 0.49 0.00 0.00 -0.69 -1.28 107.32 108.34 3gj0 s GLY 121 Ca -0.16 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 42.78 3gj0 s GLY 121 CO 0.06 0.89 0.73 0.21 0.00 0.00 0.00 173.10 174.99 3gj0 s ASN 122 N 1.69 5.72 -0.30 1.64 2.47 0.34 -0.72 114.94 125.78 3gj0 s ASN 122 Ca 0.03 0.35 0.00 0.00 0.42 0.00 0.00 52.86 53.66 3gj0 s ASN 122 Cb -0.20 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 38.10 3gj0 s ASN 122 CO 0.08 -0.83 0.00 0.29 -3.72 0.00 0.00 177.10 172.92 3gj0 n LYS 123 N -2.22 -0.28 0.00 0.43 5.02 -0.91 -1.26 118.16 118.95 3gj0 n LYS 123 Ca 0.03 0.17 0.10 0.00 -2.02 0.00 0.00 58.31 56.59 3gj0 n LYS 123 Cb 0.58 -3.86 0.56 0.00 -0.02 0.00 0.00 35.03 32.28 3gj0 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3gj0 n VAL 124 N -4.00 0.20 0.36 -0.18 0.24 -1.09 -1.80 118.33 112.06 3gj0 n VAL 124 Ca -0.04 0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.45 3gj0 n VAL 124 Cb 0.53 -0.72 0.50 0.00 -1.47 0.00 0.00 33.84 32.68 3gj0 n VAL 124 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3gj0 h ASP 125 N 0.00 0.00 -3.28 -1.34 3.04 -1.92 -3.44 116.42 109.48 3gj0 h ASP 125 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3gj0 h ASP 125 Cb 0.09 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.35 3gj0 h ASP 125 CO 0.00 0.00 0.54 -0.63 -2.04 0.00 0.00 179.24 177.11 3gj0 s ILE 126 N -3.40 4.80 0.16 4.15 1.01 -0.75 -4.95 121.20 122.23 3gj0 s ILE 126 Ca 0.04 2.03 -0.16 0.00 0.00 0.00 0.00 60.65 62.56 3gj0 s ILE 126 Cb 0.09 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.29 3gj0 s ILE 126 CO 0.52 0.02 1.74 0.50 0.00 0.00 0.00 174.94 177.73 3gj0 h LYS 127 N 7.07 0.24 -5.66 2.79 1.63 -1.89 -3.32 116.57 117.42 3gj0 h LYS 127 Ca -0.32 -0.01 -0.69 0.00 -0.85 0.00 0.00 60.65 58.78 3gj0 h LYS 127 Cb 1.15 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.64 3gj0 h LYS 127 CO 0.84 0.16 2.16 -3.47 -3.45 0.00 0.00 179.45 175.69 3gj0 n ASP 128 N -5.05 4.93 -4.72 4.20 2.03 -1.26 -4.97 116.55 111.71 3gj0 n ASP 128 Ca 0.02 -2.92 -0.41 0.00 0.52 0.00 0.00 54.79 51.99 3gj0 n ASP 128 Cb 0.15 -1.73 -0.04 0.00 -0.72 0.00 0.00 41.12 38.78 3gj0 n ASP 128 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3gj0 s ARG 129 N 3.90 4.54 -0.24 -0.67 3.52 -1.25 -4.78 118.95 123.96 3gj0 s ARG 129 Ca 0.53 1.24 0.03 0.00 -0.13 0.00 0.00 55.73 57.40 3gj0 s ARG 129 Cb 0.04 -3.43 -0.18 0.00 -1.56 0.00 0.00 34.95 29.81 3gj0 s ARG 129 CO 0.07 0.06 -0.15 1.63 -0.81 0.00 0.00 175.30 176.09 3gj0 n LYS 130 N 3.59 0.66 -3.43 5.12 4.76 0.23 -4.82 118.16 124.27 3gj0 n LYS 130 Ca 0.03 0.14 -0.44 0.00 -2.87 0.00 0.00 58.31 55.17 3gj0 n LYS 130 Cb 0.51 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.09 3gj0 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3gj0 s VAL 131 N -2.52 4.90 0.36 -0.18 1.01 0.11 -4.98 120.40 119.10 3gj0 s VAL 131 Ca -0.31 -1.36 0.07 0.00 0.00 0.00 0.00 61.98 60.37 3gj0 s VAL 131 Cb 0.09 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3gj0 s VAL 131 CO 0.64 -0.68 0.50 -0.54 0.00 0.00 0.00 175.10 175.02 3gj0 s LYS 132 N 1.55 3.05 0.32 2.72 1.02 -1.26 -4.86 119.74 122.28 3gj0 s LYS 132 Ca 0.04 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 55.08 3gj0 s LYS 132 Cb -0.26 -2.80 0.85 0.00 -0.52 0.00 0.00 37.83 35.10 3gj0 s LYS 132 CO 0.04 -0.03 1.75 0.00 -0.92 0.00 0.00 175.35 176.19 3gj0 h ALA 133 N 0.81 1.78 -0.55 5.17 0.00 -1.94 0.45 119.26 124.98 3gj0 h ALA 133 Ca -0.45 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.64 3gj0 h ALA 133 Cb 1.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3gj0 h ALA 133 CO 0.51 -0.22 0.37 -0.22 0.00 0.00 0.00 179.25 179.69 3gj0 h LYS 134 N 0.63 0.46 -0.00 0.00 3.64 -1.94 -2.33 116.57 117.02 3gj0 h LYS 134 Ca 0.62 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3gj0 h LYS 134 Cb 1.13 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3gj0 h LYS 134 CO -0.43 0.30 -0.55 0.43 -2.27 0.00 0.00 179.45 176.94 3gj0 n SER 135 N -4.47 0.59 -4.43 4.20 7.64 0.13 -4.77 113.62 112.51 3gj0 n SER 135 Ca 0.08 -0.37 -0.44 0.00 1.01 0.00 0.00 58.87 59.15 3gj0 n SER 135 Cb 0.28 0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 3gj0 n SER 135 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gj0 s ILE 136 N -2.98 4.54 0.00 0.44 1.01 -0.88 -4.74 121.20 118.60 3gj0 s ILE 136 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3gj0 s ILE 136 Cb 0.17 -4.65 0.00 0.00 0.01 0.00 0.00 42.46 38.00 3gj0 s ILE 136 CO 0.71 -1.37 0.00 1.33 0.00 0.00 0.00 174.94 175.61 3gj0 n VAL 137 N 5.73 0.00 -0.18 2.92 0.24 -1.26 -4.83 118.33 120.95 3gj0 n VAL 137 Ca -0.01 -0.23 0.06 0.00 -2.04 0.00 0.00 64.34 62.12 3gj0 n VAL 137 Cb 0.45 0.83 0.35 0.00 -1.47 0.00 0.00 33.84 34.00 3gj0 n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3gj0 h PHE 138 N 0.00 0.76 0.00 6.34 3.57 -2.00 -2.25 116.94 123.36 3gj0 h PHE 138 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3gj0 h PHE 138 Cb 0.00 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 3gj0 h PHE 138 CO 0.00 0.40 -0.09 1.12 -2.23 0.00 0.00 178.31 177.51 3gj0 h HIS 139 N 0.75 0.00 0.03 0.41 2.07 -1.88 -3.30 115.15 113.23 3gj0 h HIS 139 Ca 0.31 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.83 3gj0 h HIS 139 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 3gj0 h HIS 139 CO -0.00 0.09 -0.02 0.00 -3.07 0.00 0.00 177.93 174.93 3gj0 h ARG 140 N 0.00 -0.04 0.00 5.12 3.08 -1.65 -0.56 114.38 120.32 3gj0 h ARG 140 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gj0 h ARG 140 Cb 0.22 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gj0 h ARG 140 CO 0.01 0.37 0.00 1.63 -1.07 0.00 0.00 179.97 180.91 3gj0 n LYS 141 N -4.91 0.21 -0.09 0.04 4.76 -1.24 -2.97 118.16 113.96 3gj0 n LYS 141 Ca -0.08 0.42 0.07 0.00 -2.87 0.00 0.00 58.31 55.84 3gj0 n LYS 141 Cb 0.22 -1.88 0.11 0.00 -1.84 0.00 0.00 35.03 31.64 3gj0 n LYS 141 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3gj0 n LYS 142 N -2.27 1.65 -2.81 1.97 4.76 -1.05 -4.99 118.16 115.43 3gj0 n LYS 142 Ca 0.02 -1.63 -0.21 0.00 -2.87 0.00 0.00 58.31 53.62 3gj0 n LYS 142 Cb 0.24 -1.28 0.02 0.00 -1.84 0.00 0.00 35.03 32.18 3gj0 n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gj0 n ASN 143 N 0.72 -5.92 -4.87 4.39 5.03 -0.35 -5.00 115.26 109.26 3gj0 n ASN 143 Ca 0.10 -0.20 -0.32 0.00 0.87 0.00 0.00 54.58 55.03 3gj0 n ASN 143 Cb 0.38 -4.79 -0.06 0.00 -1.02 0.00 0.00 39.78 34.29 3gj0 n ASN 143 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gj0 s LEU 144 N -6.24 4.15 0.10 3.41 1.43 -0.42 -4.80 118.68 116.32 3gj0 s LEU 144 Ca 0.20 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.11 3gj0 s LEU 144 Cb -0.09 -3.75 -0.07 0.00 0.03 0.00 0.00 46.19 42.31 3gj0 s LEU 144 CO 0.25 -0.09 0.59 -1.58 0.23 0.00 0.00 176.35 175.75 3gj0 s GLN 145 N -2.82 4.19 -0.08 1.70 2.00 -1.12 -4.60 119.66 118.93 3gj0 s GLN 145 Ca 0.48 0.74 0.00 0.00 -2.00 0.00 0.00 55.36 54.58 3gj0 s GLN 145 Cb -0.11 -3.16 -0.03 0.00 0.80 0.00 0.00 33.01 30.51 3gj0 s GLN 145 CO 0.20 0.59 -0.06 -0.47 -0.50 0.00 0.00 175.29 175.05 3gj0 s TYR 146 N -1.21 2.96 0.00 1.67 5.04 -1.26 -0.45 117.35 124.10 3gj0 s TYR 146 Ca 0.32 -0.00 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3gj0 s TYR 146 Cb -0.19 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.38 3gj0 s TYR 146 CO 0.20 0.30 -0.02 0.71 -1.34 0.00 0.00 175.55 175.40 3gj0 s TYR 147 N -0.69 0.17 0.28 4.97 2.02 -0.55 -4.98 117.35 118.57 3gj0 s TYR 147 Ca 0.11 -0.07 -0.29 0.00 -0.37 0.00 0.00 57.07 56.44 3gj0 s TYR 147 Cb -0.11 -0.11 -0.10 0.00 -0.40 0.00 0.00 41.96 41.24 3gj0 s TYR 147 CO 0.02 -0.02 1.18 -0.51 -1.57 0.00 0.00 175.55 174.65 3gj0 s ASP 148 N -0.16 7.08 0.07 2.29 1.01 -1.26 -1.71 116.67 123.99 3gj0 s ASP 148 Ca -0.01 2.39 0.01 0.00 0.71 0.00 0.00 52.55 55.66 3gj0 s ASP 148 Cb -0.01 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 3gj0 s ASP 148 CO -0.00 -0.31 -0.06 0.27 0.21 0.00 0.00 175.17 175.28 3gj0 s ILE 149 N -0.94 0.54 -0.23 0.77 -4.36 0.11 -4.69 121.20 112.39 3gj0 s ILE 149 Ca 0.47 -1.63 -0.02 0.00 -0.26 0.00 0.00 60.65 59.22 3gj0 s ILE 149 Cb -0.35 -1.29 0.07 0.00 1.25 0.00 0.00 42.46 42.15 3gj0 s ILE 149 CO 0.44 -0.74 0.04 -0.55 0.24 0.00 0.00 174.94 174.36 3gj0 s SER 150 N -2.54 3.35 0.20 4.36 0.15 -0.91 -2.13 113.70 116.17 3gj0 s SER 150 Ca 0.04 -1.09 -0.11 0.00 0.70 0.00 0.00 55.95 55.49 3gj0 s SER 150 Cb 0.01 -0.75 0.16 0.00 -1.71 0.00 0.00 66.02 63.72 3gj0 s SER 150 CO -0.04 -0.32 1.85 0.00 1.20 0.00 0.00 173.24 175.93 3gj0 h ALA 151 N 8.16 0.87 0.00 5.45 0.00 -1.93 -1.45 119.26 130.36 3gj0 h ALA 151 Ca -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gj0 h ALA 151 Cb 1.08 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3gj0 h ALA 151 CO 0.38 0.22 -0.01 0.87 0.00 0.00 0.00 179.25 180.71 3gj0 h LYS 152 N 0.86 0.00 -0.09 0.00 1.79 -1.95 -2.74 116.57 114.43 3gj0 h LYS 152 Ca 0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3gj0 h LYS 152 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3gj0 h LYS 152 CO -0.09 0.01 0.00 -1.13 -1.08 0.00 0.00 179.45 177.17 3gj0 n SER 153 N -3.12 2.17 -0.62 0.86 3.41 -1.04 -0.33 113.62 114.95 3gj0 n SER 153 Ca -0.01 -1.59 -0.08 0.00 -0.26 0.00 0.00 58.87 56.93 3gj0 n SER 153 Cb 0.24 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3gj0 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gj0 n ASN 154 N 0.60 -5.48 -4.68 4.04 3.02 -0.62 -4.69 115.26 107.45 3gj0 n ASN 154 Ca 0.08 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.40 3gj0 n ASN 154 Cb 0.31 -3.69 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 3gj0 n ASN 154 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gj0 s TYR 155 N -1.79 2.34 -1.75 3.10 5.04 -0.78 -2.17 117.35 121.35 3gj0 s TYR 155 Ca 0.00 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3gj0 s TYR 155 Cb 0.00 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.40 3gj0 s TYR 155 CO 0.00 -3.68 0.00 0.09 -1.34 0.00 0.00 175.55 170.62 3gj0 n ASN 156 N 6.02 -5.02 -0.23 4.32 3.02 -1.26 -2.15 115.26 119.97 3gj0 n ASN 156 Ca 0.16 0.37 0.02 0.00 -0.03 0.00 0.00 54.58 55.10 3gj0 n ASN 156 Cb 0.42 -4.01 0.14 0.00 -0.61 0.00 0.00 39.78 35.72 3gj0 n ASN 156 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gj0 h PHE 157 N 0.00 0.46 0.00 3.10 3.57 -1.78 -1.72 116.94 120.56 3gj0 h PHE 157 Ca -0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3gj0 h PHE 157 Cb 1.12 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.76 3gj0 h PHE 157 CO 0.47 0.09 -0.08 1.05 -2.23 0.00 0.00 178.31 177.61 3gj0 h GLU 158 N 0.44 0.00 -0.35 1.11 9.09 -1.90 -3.38 114.58 119.58 3gj0 h GLU 158 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.77 3gj0 h GLU 158 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 3gj0 h GLU 158 CO -0.35 0.00 0.23 0.87 0.05 0.00 0.00 179.01 179.82 3gj0 h LYS 159 N 0.00 0.46 -0.89 1.06 1.57 -1.71 -0.67 116.57 116.39 3gj0 h LYS 159 Ca 0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3gj0 h LYS 159 Cb 0.81 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3gj0 h LYS 159 CO 0.00 0.31 0.53 -1.35 -0.57 0.00 0.00 179.45 178.37 3gj0 h PRO 160 N 0.48 1.22 -0.49 3.15 0.11 -1.74 -1.90 132.00 132.83 3gj0 h PRO 160 Ca 0.13 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 3gj0 h PRO 160 Cb -0.05 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.79 3gj0 h PRO 160 CO -0.03 0.86 -0.13 0.74 -0.21 0.00 0.00 178.00 179.23 3gj0 h PHE 161 N 1.23 1.02 -0.41 0.65 0.04 -1.68 -1.43 116.94 116.37 3gj0 h PHE 161 Ca 0.32 -0.21 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 3gj0 h PHE 161 Cb -0.04 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3gj0 h PHE 161 CO 0.00 0.98 -0.09 1.25 -0.60 0.00 0.00 178.31 179.85 3gj0 h LEU 162 N 0.81 0.78 -0.31 1.54 5.85 -0.84 0.46 115.31 123.60 3gj0 h LEU 162 Ca 0.13 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3gj0 h LEU 162 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3gj0 h LEU 162 CO 0.05 0.96 0.17 -0.25 -0.34 0.00 0.00 178.44 179.03 3gj0 h TRP 163 N 0.60 0.43 -0.46 1.25 7.01 -1.20 -1.35 115.95 122.22 3gj0 h TRP 163 Ca 0.10 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3gj0 h TRP 163 Cb 0.62 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 3gj0 h TRP 163 CO 0.05 0.35 0.23 -0.07 -2.79 0.00 0.00 178.44 176.22 3gj0 h LEU 164 N 0.38 0.59 -0.73 0.65 3.38 -1.16 -2.24 115.31 116.18 3gj0 h LEU 164 Ca 0.11 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3gj0 h LEU 164 Cb 0.07 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3gj0 h LEU 164 CO -0.02 0.54 0.44 0.00 0.09 0.00 0.00 178.44 179.49 3gj0 h ALA 165 N 1.08 0.98 -0.83 1.53 0.00 -0.65 0.50 119.26 121.86 3gj0 h ALA 165 Ca 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gj0 h ALA 165 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3gj0 h ALA 165 CO -0.02 0.17 0.38 0.00 0.00 0.00 0.00 179.25 179.78 3gj0 h ARG 166 N 0.83 1.21 -0.20 0.00 3.08 -0.93 -0.95 114.38 117.43 3gj0 h ARG 166 Ca 0.31 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3gj0 h ARG 166 Cb 0.12 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gj0 h ARG 166 CO -0.15 0.94 -0.34 0.87 -1.07 0.00 0.00 179.97 180.22 3gj0 h LYS 167 N 1.20 0.58 -0.30 0.04 1.79 -0.84 -1.54 116.57 117.50 3gj0 h LYS 167 Ca 0.28 -0.36 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 3gj0 h LYS 167 Cb 0.14 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3gj0 h LYS 167 CO -0.03 0.96 -0.28 -0.07 -1.08 0.00 0.00 179.45 178.95 3gj0 h LEU 168 N 0.25 0.63 0.00 2.94 3.38 -0.69 -3.07 115.31 118.75 3gj0 h LEU 168 Ca 0.01 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3gj0 h LEU 168 Cb 0.92 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3gj0 h LEU 168 CO 0.08 0.88 -0.83 -0.38 0.09 0.00 0.00 178.44 178.28 3gj0 n ILE 169 N -4.09 0.24 -2.34 1.22 2.08 -0.38 -4.96 119.36 111.13 3gj0 n ILE 169 Ca -0.01 -0.24 -0.06 0.00 0.56 0.00 0.00 62.75 63.00 3gj0 n ILE 169 Cb 0.45 0.07 0.01 0.00 -0.75 0.00 0.00 39.64 39.41 3gj0 n ILE 169 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gj0 n GLY 170 N 1.36 0.25 2.75 7.39 0.00 -0.72 -5.02 105.19 111.21 3gj0 n GLY 170 Ca 0.03 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 3gj0 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gj0 s ASP 171 N -2.85 3.95 0.15 1.61 -1.08 -0.66 -4.99 116.67 112.80 3gj0 s ASP 171 Ca 0.05 -2.09 0.18 0.00 -0.52 0.00 0.00 52.55 50.17 3gj0 s ASP 171 Cb -0.02 -1.01 0.77 0.00 -1.46 0.00 0.00 42.92 41.20 3gj0 s ASP 171 CO 0.07 -0.35 1.54 -2.65 0.52 0.00 0.00 175.17 174.30 3gj0 n PRO 172 N 4.26 0.10 -0.21 4.34 -0.02 -1.26 -2.11 135.00 140.09 3gj0 n PRO 172 Ca 0.03 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3gj0 n PRO 172 Cb 0.39 -1.71 0.22 0.00 -0.02 0.00 0.00 33.50 32.37 3gj0 n PRO 172 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3gj0 n ASN 173 N -1.90 3.38 -4.72 2.55 3.02 -1.26 -4.98 115.26 111.35 3gj0 n ASN 173 Ca 0.02 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 3gj0 n ASN 173 Cb 0.16 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 3gj0 n ASN 173 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3gj0 n LEU 174 N 1.32 3.94 -4.19 3.41 7.94 -0.90 -5.01 117.00 123.51 3gj0 n LEU 174 Ca 0.18 1.19 -0.17 0.00 -1.11 0.00 0.00 56.01 56.11 3gj0 n LEU 174 Cb 0.56 -1.53 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 3gj0 n LEU 174 CO 0.14 -0.21 -0.44 -1.61 -1.11 0.00 0.00 177.39 174.16 3gj0 s GLU 175 N -1.52 0.87 -0.19 1.96 0.41 -1.26 -4.98 118.70 114.00 3gj0 s GLU 175 Ca 0.58 -1.08 -0.21 0.00 -0.41 0.00 0.00 54.97 53.84 3gj0 s GLU 175 Cb -0.54 -0.73 -0.03 0.00 -1.78 0.00 0.00 34.13 31.05 3gj0 s GLU 175 CO 0.59 0.14 0.65 -0.06 -0.49 0.00 0.00 175.26 176.09 3gj0 s PHE 176 N -1.87 3.39 -0.63 1.61 0.08 -1.26 -1.57 117.98 117.74 3gj0 s PHE 176 Ca 0.03 0.97 0.24 0.00 0.12 0.00 0.00 56.93 58.29 3gj0 s PHE 176 Cb -0.06 -2.81 0.42 0.00 -0.57 0.00 0.00 43.02 40.00 3gj0 s PHE 176 CO 0.02 -0.16 1.41 -0.39 -0.10 0.00 0.00 175.22 176.00 3gj0 h VAL 177 N 5.15 0.00 -2.45 -0.44 -1.51 -1.20 -3.46 116.25 112.34 3gj0 h VAL 177 Ca -0.32 -0.54 -0.09 0.00 -1.23 0.00 0.00 66.70 64.52 3gj0 h VAL 177 Cb 1.15 1.22 -0.22 0.00 -2.13 0.00 0.00 31.29 31.31 3gj0 h VAL 177 CO 0.78 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 177.05 3gj0 s ALA 178 N -3.17 -1.33 0.29 5.19 0.00 -1.25 -5.09 121.76 116.41 3gj0 s ALA 178 Ca 0.07 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3gj0 s ALA 178 Cb 0.13 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 3gj0 s ALA 178 CO 0.70 -0.27 1.07 -1.64 0.00 0.00 0.00 175.76 175.62 3gj0 s MET 179 N -0.08 4.59 0.81 0.00 1.00 -1.26 -4.44 119.30 119.92 3gj0 s MET 179 Ca -0.03 1.72 -0.13 0.00 0.00 0.00 0.00 55.69 57.25 3gj0 s MET 179 Cb -0.03 -3.10 0.08 0.00 0.00 0.00 0.00 34.83 31.78 3gj0 s MET 179 CO 0.02 0.19 1.18 -0.35 0.00 0.00 0.00 175.02 176.07 3gj0 n PRO 180 N 1.02 0.15 -1.96 2.03 -0.04 -1.26 -4.91 135.00 130.03 3gj0 n PRO 180 Ca -0.00 0.13 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 3gj0 n PRO 180 Cb 0.46 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 3gj0 n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gj0 s ALA 181 N -2.14 3.51 0.07 0.55 0.00 -1.26 -4.99 121.76 117.49 3gj0 s ALA 181 Ca 0.73 0.90 0.07 0.00 0.00 0.00 0.00 51.96 53.66 3gj0 s ALA 181 Cb -0.29 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 3gj0 s ALA 181 CO 0.51 -1.58 -0.16 -0.51 0.00 0.00 0.00 175.76 174.02 3gj0 s LEU 182 N 4.50 2.76 0.22 0.00 1.43 -1.26 -1.84 118.68 124.48 3gj0 s LEU 182 Ca 0.76 -0.43 -0.32 0.00 -1.03 0.00 0.00 54.13 53.12 3gj0 s LEU 182 Cb -0.33 -1.60 -0.14 0.00 0.03 0.00 0.00 46.19 44.15 3gj0 s LEU 182 CO 0.31 0.23 1.43 0.00 0.23 0.00 0.00 176.35 178.55 3gj0 n ALA 183 N 1.21 1.06 -1.49 4.21 0.00 -0.15 -4.89 120.51 120.48 3gj0 n ALA 183 Ca -0.15 0.42 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3gj0 n ALA 183 Cb 0.52 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.77 3gj0 n ALA 183 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gj0 s PRO 184 N -0.13 2.41 0.24 0.00 0.04 -1.26 -4.85 135.00 131.44 3gj0 s PRO 184 Ca 0.71 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 3gj0 s PRO 184 Cb -0.67 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 31.87 3gj0 s PRO 184 CO 0.47 -1.63 1.45 -2.30 0.04 0.00 0.00 177.00 175.04 3gj0 n PRO 185 N -2.39 2.13 0.07 0.56 -0.02 -1.26 -4.87 135.00 129.22 3gj0 n PRO 185 Ca 0.13 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.42 3gj0 n PRO 185 Cb 0.50 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3gj0 n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gj0 h GLU 186 N 4.51 0.00 -4.47 -0.52 5.08 -1.01 -3.46 114.58 114.72 3gj0 h GLU 186 Ca -0.45 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.66 3gj0 h GLU 186 Cb 1.27 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.31 3gj0 h GLU 186 CO 0.78 0.20 -0.72 0.14 -1.00 0.00 0.00 179.01 178.41 3gj0 s VAL 187 N -3.08 0.47 -0.13 3.13 -7.23 -1.20 -5.04 120.40 107.31 3gj0 s VAL 187 Ca -0.01 -1.13 -0.21 0.00 -1.81 0.00 0.00 61.98 58.82 3gj0 s VAL 187 Cb 0.09 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 3gj0 s VAL 187 CO 0.79 -0.45 0.63 -0.69 -0.31 0.00 0.00 175.10 175.08 3gj0 s VAL 188 N -1.60 5.06 -0.25 1.32 1.01 -1.26 -4.22 120.40 120.45 3gj0 s VAL 188 Ca -0.09 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.84 3gj0 s VAL 188 Cb -0.09 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3gj0 s VAL 188 CO -0.00 0.20 1.12 -0.32 0.00 0.00 0.00 175.10 176.10 3gj0 s MET 189 N 1.27 4.16 0.05 2.72 1.75 -1.26 -4.98 119.30 123.01 3gj0 s MET 189 Ca 0.32 1.32 -0.30 0.00 -1.25 0.00 0.00 55.69 55.77 3gj0 s MET 189 Cb -0.16 -3.72 -0.09 0.00 2.84 0.00 0.00 34.83 33.70 3gj0 s MET 189 CO 0.13 -0.78 1.86 0.34 -0.65 0.00 0.00 175.02 175.91 3gj0 s ASP 190 N 1.67 6.48 0.31 1.11 2.15 -1.26 -4.88 116.67 122.26 3gj0 s ASP 190 Ca 0.48 2.63 -0.00 0.00 0.43 0.00 0.00 52.55 56.08 3gj0 s ASP 190 Cb -0.16 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.43 3gj0 s ASP 190 CO 0.12 -1.01 1.94 -0.65 -0.17 0.00 0.00 175.17 175.41 3gj0 h PRO 191 N 9.65 0.90 -0.35 4.34 0.11 -1.99 0.21 132.00 144.87 3gj0 h PRO 191 Ca -0.47 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 65.49 3gj0 h PRO 191 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gj0 h PRO 191 CO 0.94 0.66 -0.00 0.00 -0.21 0.00 0.00 178.00 179.39 3gj0 h ALA 192 N 1.49 0.47 -0.54 -0.75 0.00 -1.99 -1.22 119.26 116.71 3gj0 h ALA 192 Ca 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3gj0 h ALA 192 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3gj0 h ALA 192 CO -0.04 0.24 0.21 1.25 0.00 0.00 0.00 179.25 180.92 3gj0 h LEU 193 N 0.43 0.75 -0.41 0.00 5.85 -1.84 -1.23 115.31 118.87 3gj0 h LEU 193 Ca 0.10 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3gj0 h LEU 193 Cb 0.46 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3gj0 h LEU 193 CO 0.02 0.72 0.13 0.00 -0.34 0.00 0.00 178.44 178.97 3gj0 h ALA 194 N 1.06 0.48 -0.83 1.25 0.00 -0.80 -0.46 119.26 119.95 3gj0 h ALA 194 Ca 0.18 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3gj0 h ALA 194 Cb 0.20 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3gj0 h ALA 194 CO -0.01 -0.27 0.45 0.00 0.00 0.00 0.00 179.25 179.42 3gj0 h ALA 195 N 1.28 1.06 -0.21 0.00 0.00 -0.93 -0.90 119.26 119.56 3gj0 h ALA 195 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gj0 h ALA 195 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gj0 h ALA 195 CO -0.21 0.58 0.09 0.37 0.00 0.00 0.00 179.25 180.07 3gj0 h GLN 196 N 1.16 0.31 -0.74 0.00 4.15 -0.77 -1.83 115.11 117.40 3gj0 h GLN 196 Ca 0.29 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.66 3gj0 h GLN 196 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3gj0 h GLN 196 CO -0.05 0.36 0.48 1.88 -1.93 0.00 0.00 178.83 179.58 3gj0 h TYR 197 N 0.19 0.93 -0.34 3.99 0.05 -0.80 0.08 116.97 121.07 3gj0 h TYR 197 Ca 0.07 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.80 3gj0 h TYR 197 Cb 0.17 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 3gj0 h TYR 197 CO -0.01 0.59 -0.05 0.93 -1.05 0.00 0.00 178.16 178.57 3gj0 h GLU 198 N 1.00 0.64 -0.49 4.88 5.08 -0.96 -1.71 114.58 123.01 3gj0 h GLU 198 Ca 0.27 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3gj0 h GLU 198 Cb -0.10 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3gj0 h GLU 198 CO -0.06 0.78 0.30 1.25 -1.00 0.00 0.00 179.01 180.29 3gj0 h HIS 199 N 0.43 0.63 -0.96 4.33 2.76 -1.03 -2.06 115.15 119.25 3gj0 h HIS 199 Ca 0.09 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3gj0 h HIS 199 Cb 0.53 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 3gj0 h HIS 199 CO 0.04 0.42 0.63 -0.44 -1.30 0.00 0.00 177.93 177.29 3gj0 h ASP 200 N 0.65 1.00 -0.54 3.26 3.32 -0.76 -0.70 116.42 122.65 3gj0 h ASP 200 Ca 0.18 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3gj0 h ASP 200 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3gj0 h ASP 200 CO -0.03 0.65 0.05 -0.07 -1.72 0.00 0.00 179.24 178.11 3gj0 h LEU 201 N 1.14 0.93 -0.35 1.55 3.38 -1.02 -1.80 115.31 119.14 3gj0 h LEU 201 Ca 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3gj0 h LEU 201 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3gj0 h LEU 201 CO -0.15 0.96 0.11 -0.33 0.09 0.00 0.00 178.44 179.13 3gj0 h GLU 202 N 0.90 0.55 -0.64 1.13 5.08 -0.48 -0.65 114.58 120.47 3gj0 h GLU 202 Ca 0.17 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3gj0 h GLU 202 Cb 0.46 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3gj0 h GLU 202 CO 0.02 0.57 0.25 0.28 -1.00 0.00 0.00 179.01 179.12 3gj0 h VAL 203 N 0.42 1.24 -0.66 3.13 2.07 -1.15 -2.57 116.25 118.72 3gj0 h VAL 203 Ca 0.11 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 3gj0 h VAL 203 Cb 0.24 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3gj0 h VAL 203 CO -0.00 0.30 0.29 0.00 0.02 0.00 0.00 177.57 178.17 3gj0 h ALA 204 N 1.10 0.86 -0.64 1.67 0.00 -1.09 -2.50 119.26 118.66 3gj0 h ALA 204 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gj0 h ALA 204 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3gj0 h ALA 204 CO -0.02 0.45 0.18 0.37 0.00 0.00 0.00 179.25 180.24 3gj0 h GLN 205 N 0.93 0.99 0.00 0.00 5.75 -0.80 0.10 115.11 122.08 3gj0 h GLN 205 Ca 0.22 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3gj0 h GLN 205 Cb 0.17 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.57 3gj0 h GLN 205 CO -0.02 0.87 0.00 0.25 -2.65 0.00 0.00 178.83 177.27 3gj0 n THR 206 N -4.26 0.00 -0.75 2.39 -2.24 -1.00 -5.11 114.28 103.32 3gj0 n THR 206 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3gj0 n THR 206 Cb 0.23 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 3gj0 n THR 206 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91