#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj5 s HIS 4 N 0.00 3.25 0.57 -1.40 4.02 -1.26 -5.08 115.29 115.39 1rj5 s HIS 4 Ca 0.00 -0.89 -0.18 0.00 1.02 0.00 0.00 55.06 55.01 1rj5 s HIS 4 Cb 0.00 -2.53 -0.05 0.00 -1.02 0.00 0.00 32.58 28.99 1rj5 s HIS 4 CO 0.00 -0.65 1.08 1.67 1.02 0.00 0.00 174.74 177.86 1rj5 s TRP 5 N 1.58 2.85 0.40 1.40 1.48 -1.26 -4.96 118.94 120.43 1rj5 s TRP 5 Ca 0.03 1.54 0.05 0.00 -1.06 0.00 0.00 56.10 56.66 1rj5 s TRP 5 Cb -0.19 -3.12 -0.02 0.00 -1.16 0.00 0.00 33.47 28.98 1rj5 s TRP 5 CO 0.07 -1.25 0.16 0.95 -4.06 0.00 0.00 176.95 172.83 1rj5 s THR 6 N -2.15 0.44 -0.17 0.66 -4.23 -0.99 -5.05 115.64 104.15 1rj5 s THR 6 Ca 0.67 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.92 1rj5 s THR 6 Cb -0.19 -2.36 -0.23 0.00 1.34 0.00 0.00 72.50 71.06 1rj5 s THR 6 CO 0.31 0.00 0.54 1.88 -0.54 0.00 0.00 174.62 176.81 1rj5 h TYR 7 N 1.85 0.00 -3.07 3.99 -1.99 -1.89 -3.27 116.97 112.59 1rj5 h TYR 7 Ca -0.33 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 59.75 1rj5 h TYR 7 Cb 1.27 0.00 -0.18 0.00 2.00 0.00 0.00 36.73 39.82 1rj5 h TYR 7 CO 1.59 1.19 -0.82 -1.21 -0.00 0.00 0.00 178.16 178.92 1rj5 s GLU 8 N -2.27 1.54 0.00 4.88 0.41 -1.26 0.32 118.70 122.31 1rj5 s GLU 8 Ca -0.23 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 52.77 1rj5 s GLU 8 Cb 0.01 -1.83 0.00 0.00 -1.78 0.00 0.00 34.13 30.52 1rj5 s GLU 8 CO 0.65 0.39 0.00 0.41 -0.49 0.00 0.00 175.26 176.22 1rj5 n GLY 9 N 0.15 -0.20 0.29 -1.39 0.00 -1.26 -4.26 105.19 98.53 1rj5 n GLY 9 Ca -0.12 -2.22 0.09 0.00 0.00 0.00 0.00 46.02 43.78 1rj5 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rj5 h PRO 10 N 1.81 0.13 -0.08 1.61 0.11 -1.99 -2.02 132.00 131.58 1rj5 h PRO 10 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1rj5 h PRO 10 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1rj5 h PRO 10 CO 0.00 0.09 -0.21 0.72 -0.21 0.00 0.00 178.00 178.39 1rj5 n HIS 11 N -4.50 0.25 -0.97 0.65 8.25 -1.26 -4.82 115.22 112.82 1rj5 n HIS 11 Ca 0.01 -1.28 -0.30 0.00 -0.26 0.00 0.00 57.72 55.89 1rj5 n HIS 11 Cb 0.18 -0.26 0.25 0.00 1.12 0.00 0.00 29.99 31.28 1rj5 n HIS 11 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1rj5 s GLY 12 N -2.89 1.56 0.63 -1.41 0.00 -0.76 -2.36 107.32 102.09 1rj5 s GLY 12 Ca 0.37 -0.94 0.27 0.00 0.00 0.00 0.00 44.72 44.42 1rj5 s GLY 12 CO -0.01 -0.03 1.81 0.06 0.00 0.00 0.00 173.10 174.93 1rj5 h GLN 13 N -2.74 0.00 0.00 2.90 3.07 -0.19 0.34 115.11 118.50 1rj5 h GLN 13 Ca -0.44 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.22 1rj5 h GLN 13 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 1rj5 h GLN 13 CO 0.32 0.00 -0.34 -0.44 0.09 0.00 0.00 178.83 178.47 1rj5 h ASP 14 N 0.00 0.00 -0.15 0.06 3.32 -1.89 -3.09 116.42 114.67 1rj5 h ASP 14 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1rj5 h ASP 14 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1rj5 h ASP 14 CO -0.00 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.27 1rj5 n HIS 15 N -3.92 0.17 -0.29 4.55 8.25 0.12 -4.59 115.22 119.52 1rj5 n HIS 15 Ca -0.02 -0.11 0.04 0.00 -0.26 0.00 0.00 57.72 57.37 1rj5 n HIS 15 Cb 0.40 -0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.69 1rj5 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1rj5 h TRP 16 N 3.71 0.84 -0.70 4.41 6.55 -1.44 -1.37 115.95 127.94 1rj5 h TRP 16 Ca 0.00 0.03 0.15 0.00 0.95 0.00 0.00 58.89 60.02 1rj5 h TRP 16 Cb 0.82 -0.25 -0.04 0.00 -0.86 0.00 0.00 29.16 28.83 1rj5 h TRP 16 CO 0.09 0.31 0.48 -1.35 -1.05 0.00 0.00 178.44 176.91 1rj5 h PRO 17 N 0.75 0.29 0.30 0.49 0.11 -1.81 0.92 132.00 133.04 1rj5 h PRO 17 Ca 0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 1rj5 h PRO 17 Cb 0.43 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1rj5 h PRO 17 CO -0.27 0.19 -0.16 1.15 -0.21 0.00 0.00 178.00 178.70 1rj5 h THR 18 N 0.29 0.67 0.00 -1.15 2.02 -1.58 -3.07 112.91 110.10 1rj5 h THR 18 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1rj5 h THR 18 Cb 0.92 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1rj5 h THR 18 CO -0.08 0.00 -1.04 -1.54 0.37 0.00 0.00 175.52 173.22 1rj5 n SER 19 N -5.28 0.63 -3.58 4.18 3.41 -0.91 -4.65 113.62 107.42 1rj5 n SER 19 Ca -0.10 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.21 1rj5 n SER 19 Cb 0.20 0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 64.73 1rj5 n SER 19 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1rj5 s TYR 20 N -3.26 1.19 0.27 7.33 1.51 0.31 -5.01 117.35 119.70 1rj5 s TYR 20 Ca 0.02 -1.84 0.01 0.00 -1.01 0.00 0.00 57.07 54.24 1rj5 s TYR 20 Cb 0.13 -1.31 0.62 0.00 -0.11 0.00 0.00 41.96 41.29 1rj5 s TYR 20 CO 0.79 -0.82 1.72 -1.35 -1.11 0.00 0.00 175.55 174.79 1rj5 h PRO 21 N 7.12 0.47 -0.37 -1.71 0.11 -1.74 -0.40 132.00 135.48 1rj5 h PRO 21 Ca -0.00 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.19 1rj5 h PRO 21 Cb 0.96 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1rj5 h PRO 21 CO 0.37 0.31 0.32 0.93 -0.21 0.00 0.00 178.00 179.71 1rj5 h GLU 22 N 0.48 0.00 0.00 1.05 4.39 -1.88 -1.22 114.58 117.41 1rj5 h GLU 22 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1rj5 h GLU 22 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1rj5 h GLU 22 CO -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.40 1rj5 n GLY 24 N -0.82 3.66 3.46 0.00 0.00 -0.46 -4.77 105.19 106.26 1rj5 n GLY 24 Ca -0.01 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1rj5 n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rj5 s GLY 25 N -1.35 1.51 0.24 -0.02 0.00 -0.02 -4.96 107.32 102.72 1rj5 s GLY 25 Ca 0.50 -0.43 0.24 0.00 0.00 0.00 0.00 44.72 45.03 1rj5 s GLY 25 CO 0.12 0.38 1.40 1.29 0.00 0.00 0.00 173.10 176.29 1rj5 h ASP 26 N -2.81 0.00 -2.13 1.64 2.03 -1.95 -3.37 116.42 109.82 1rj5 h ASP 26 Ca -0.55 -0.06 -0.56 0.00 -0.73 0.00 0.00 57.03 55.12 1rj5 h ASP 26 Cb 1.34 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.42 1rj5 h ASP 26 CO 0.44 0.03 -0.77 0.00 -1.03 0.00 0.00 179.24 177.91 1rj5 n ALA 27 N -1.99 4.16 -2.32 4.15 0.00 -1.26 -4.61 120.51 118.63 1rj5 n ALA 27 Ca 0.03 -4.38 -0.27 0.00 0.00 0.00 0.00 53.44 48.82 1rj5 n ALA 27 Cb 0.49 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1rj5 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rj5 s GLN 28 N -3.27 3.58 0.25 0.00 -1.52 -1.26 -3.37 119.66 114.07 1rj5 s GLN 28 Ca 0.47 0.16 0.09 0.00 -1.95 0.00 0.00 55.36 54.12 1rj5 s GLN 28 Cb 0.31 -2.43 -0.05 0.00 -0.22 0.00 0.00 33.01 30.61 1rj5 s GLN 28 CO -0.13 -0.11 -0.13 -1.12 -0.25 0.00 0.00 175.29 173.56 1rj5 s SER 29 N -3.88 2.96 0.97 5.90 0.01 -1.26 -4.67 113.70 113.73 1rj5 s SER 29 Ca 0.47 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 56.49 1rj5 s SER 29 Cb -0.10 -0.20 0.22 0.00 0.21 0.00 0.00 66.02 66.14 1rj5 s SER 29 CO 0.41 -0.17 1.33 -2.16 0.41 0.00 0.00 173.24 173.06 1rj5 s PRO 30 N -3.63 0.48 0.07 12.44 0.04 -1.26 -4.61 135.00 138.52 1rj5 s PRO 30 Ca 0.27 -0.54 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1rj5 s PRO 30 Cb -0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1rj5 s PRO 30 CO 0.11 -2.50 -0.05 0.96 0.04 0.00 0.00 177.00 175.56 1rj5 s ILE 31 N -3.90 0.45 -0.45 0.56 -4.36 -1.26 0.11 121.20 112.34 1rj5 s ILE 31 Ca 0.76 -1.74 -0.21 0.00 -0.26 0.00 0.00 60.65 59.19 1rj5 s ILE 31 Cb -0.03 -1.42 0.03 0.00 1.25 0.00 0.00 42.46 42.29 1rj5 s ILE 31 CO 0.53 -0.86 0.69 0.21 0.24 0.00 0.00 174.94 175.76 1rj5 s ASN 32 N -2.75 6.34 -0.35 4.36 2.47 -1.26 -3.10 114.94 120.65 1rj5 s ASN 32 Ca 0.06 -0.31 -0.29 0.00 0.42 0.00 0.00 52.86 52.74 1rj5 s ASN 32 Cb 0.04 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 1rj5 s ASN 32 CO -0.06 -0.84 1.07 -0.63 -3.72 0.00 0.00 177.10 172.92 1rj5 s ILE 33 N 2.99 4.47 -0.52 -5.21 1.01 -0.51 -4.86 121.20 118.57 1rj5 s ILE 33 Ca 0.24 1.61 -0.18 0.00 0.00 0.00 0.00 60.65 62.32 1rj5 s ILE 33 Cb -0.14 -4.44 0.08 0.00 0.01 0.00 0.00 42.46 37.97 1rj5 s ILE 33 CO 0.20 -0.57 0.58 -1.58 0.00 0.00 0.00 174.94 173.57 1rj5 s GLN 34 N 3.76 3.06 0.63 2.79 2.00 -1.26 -0.30 119.66 130.34 1rj5 s GLN 34 Ca 0.45 -1.16 0.25 0.00 -2.00 0.00 0.00 55.36 52.91 1rj5 s GLN 34 Cb -0.11 -4.16 1.28 0.00 0.80 0.00 0.00 33.01 30.82 1rj5 s GLN 34 CO 0.18 -1.26 1.72 1.79 -0.50 0.00 0.00 175.29 177.22 1rj5 h THR 35 N 5.85 0.13 -0.07 -0.34 1.35 -1.95 0.34 112.91 118.23 1rj5 h THR 35 Ca -0.28 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.40 1rj5 h THR 35 Cb 1.10 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1rj5 h THR 35 CO 0.98 0.00 -0.71 -0.78 -0.25 0.00 0.00 175.52 174.77 1rj5 h ASP 36 N 0.00 0.42 0.65 5.36 1.82 -2.02 -3.12 116.42 119.53 1rj5 h ASP 36 Ca 0.13 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1rj5 h ASP 36 Cb 1.28 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1rj5 h ASP 36 CO -0.00 0.99 -0.21 -1.20 -1.61 0.00 0.00 179.24 177.21 1rj5 n SER 37 N -3.83 0.31 -4.69 2.28 7.64 0.09 -4.89 113.62 110.53 1rj5 n SER 37 Ca -0.04 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.37 1rj5 n SER 37 Cb 0.69 -0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1rj5 n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rj5 s VAL 38 N -2.87 2.94 -0.40 0.44 1.01 -1.12 -4.72 120.40 115.68 1rj5 s VAL 38 Ca 0.17 0.43 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 1rj5 s VAL 38 Cb 0.19 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1rj5 s VAL 38 CO 0.58 0.00 0.70 -0.63 0.00 0.00 0.00 175.10 175.75 1rj5 s ILE 39 N 2.51 4.78 0.26 2.22 -1.09 -0.55 -4.91 121.20 124.42 1rj5 s ILE 39 Ca 0.74 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 59.33 1rj5 s ILE 39 Cb -0.41 -4.20 -0.11 0.00 -1.58 0.00 0.00 42.46 36.17 1rj5 s ILE 39 CO 0.33 -0.52 1.52 0.12 -1.23 0.00 0.00 174.94 175.16 1rj5 s PHE 40 N 2.96 2.90 -0.41 3.97 5.36 -1.26 -2.17 117.98 129.32 1rj5 s PHE 40 Ca 0.26 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1rj5 s PHE 40 Cb -0.14 -3.94 0.14 0.00 -0.34 0.00 0.00 43.02 38.74 1rj5 s PHE 40 CO 0.18 -3.14 0.23 0.34 -1.46 0.00 0.00 175.22 171.37 1rj5 s ASP 41 N 0.47 3.46 0.03 6.13 -1.08 -0.56 -4.87 116.67 120.24 1rj5 s ASP 41 Ca 0.62 -2.49 0.05 0.00 -0.52 0.00 0.00 52.55 50.21 1rj5 s ASP 41 Cb -0.45 -0.85 0.24 0.00 -1.46 0.00 0.00 42.92 40.40 1rj5 s ASP 41 CO 0.45 -0.28 1.16 -0.81 0.52 0.00 0.00 175.17 176.21 1rj5 n PRO 42 N 3.70 0.01 -0.05 4.34 -0.04 -1.26 -1.84 135.00 139.86 1rj5 n PRO 42 Ca 0.09 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1rj5 n PRO 42 Cb 0.35 -1.54 0.32 0.00 -0.04 0.00 0.00 33.50 32.59 1rj5 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rj5 n ASP 43 N -1.57 2.31 -4.68 3.54 8.00 -1.26 -4.89 116.55 118.01 1rj5 n ASP 43 Ca 0.01 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 1rj5 n ASP 43 Cb 0.05 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1rj5 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rj5 s LEU 44 N -1.82 4.25 0.67 0.64 1.43 -0.77 -5.01 118.68 118.08 1rj5 s LEU 44 Ca 0.34 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.17 1rj5 s LEU 44 Cb 0.20 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.87 1rj5 s LEU 44 CO 0.31 -0.69 1.06 -2.16 0.23 0.00 0.00 176.35 175.10 1rj5 s PRO 45 N 2.79 3.01 0.34 1.29 0.04 -1.26 -4.99 135.00 136.22 1rj5 s PRO 45 Ca 0.58 1.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 1rj5 s PRO 45 Cb -0.25 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1rj5 s PRO 45 CO 0.21 -1.04 1.22 0.00 0.04 0.00 0.00 177.00 177.42 1rj5 s ALA 46 N -2.92 3.36 -0.38 8.56 0.00 -1.26 -4.95 121.76 124.17 1rj5 s ALA 46 Ca 0.59 1.09 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 1rj5 s ALA 46 Cb -0.14 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1rj5 s ALA 46 CO 0.51 -0.50 1.23 0.08 0.00 0.00 0.00 175.76 177.08 1rj5 s VAL 47 N -1.23 4.17 -0.28 0.00 1.01 -1.26 -4.32 120.40 118.50 1rj5 s VAL 47 Ca 0.50 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.78 1rj5 s VAL 47 Cb -0.35 -4.35 0.07 0.00 0.00 0.00 0.00 36.38 31.75 1rj5 s VAL 47 CO 0.46 -0.70 -0.05 0.00 0.00 0.00 0.00 175.10 174.80 1rj5 s GLN 48 N 4.33 1.88 -0.41 2.72 -2.07 -0.83 -4.97 119.66 120.32 1rj5 s GLN 48 Ca 0.53 -1.43 -0.29 0.00 -1.82 0.00 0.00 55.36 52.35 1rj5 s GLN 48 Cb -0.12 -2.90 0.01 0.00 -1.09 0.00 0.00 33.01 28.90 1rj5 s GLN 48 CO 0.26 -0.69 1.45 -2.14 -1.32 0.00 0.00 175.29 172.85 1rj5 s PRO 49 N 1.11 3.55 -0.45 9.60 0.02 -1.26 -2.01 135.00 145.55 1rj5 s PRO 49 Ca -0.02 0.98 -0.28 0.00 0.02 0.00 0.00 61.00 61.70 1rj5 s PRO 49 Cb -0.19 -4.04 0.00 0.00 0.02 0.00 0.00 34.50 30.28 1rj5 s PRO 49 CO -0.07 -1.60 1.54 -1.01 -0.33 0.00 0.00 177.00 175.54 1rj5 s HIS 50 N 5.58 2.17 -1.28 6.54 3.76 -0.65 -4.02 115.29 127.40 1rj5 s HIS 50 Ca 0.63 0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 56.13 1rj5 s HIS 50 Cb -0.14 -4.27 -0.01 0.00 1.11 0.00 0.00 32.58 29.27 1rj5 s HIS 50 CO 0.33 -2.23 0.68 0.41 -0.85 0.00 0.00 174.74 173.08 1rj5 n GLY 50 N 5.26 -0.44 0.38 -2.22 0.00 -1.26 -3.99 105.19 102.91 1rj5 n GLY 50 Ca 0.17 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.42 1rj5 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rj5 n TYR 51 N -4.21 0.23 0.73 1.61 4.02 -1.26 -2.50 117.16 115.78 1rj5 n TYR 51 Ca -0.26 -0.10 0.08 0.00 -0.01 0.00 0.00 57.90 57.61 1rj5 n TYR 51 Cb 0.66 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.88 1rj5 n TYR 51 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1rj5 n ASP 52 N -0.05 1.03 -4.07 7.72 3.85 -1.26 -1.52 116.55 122.25 1rj5 n ASP 52 Ca 0.05 -1.02 -0.35 0.00 -0.71 0.00 0.00 54.79 52.76 1rj5 n ASP 52 Cb 0.19 0.82 -0.11 0.00 -1.35 0.00 0.00 41.12 40.68 1rj5 n ASP 52 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1rj5 s GLN 53 N -2.27 2.35 -0.31 0.11 -1.52 -1.04 -4.42 119.66 112.56 1rj5 s GLN 53 Ca 0.08 -2.42 0.09 0.00 -1.95 0.00 0.00 55.36 51.16 1rj5 s GLN 53 Cb 0.12 -3.63 0.69 0.00 -0.22 0.00 0.00 33.01 29.98 1rj5 s GLN 53 CO 0.56 -1.14 1.74 1.28 -0.25 0.00 0.00 175.29 177.48 1rj5 n LEU 54 N 3.61 5.89 0.00 2.90 4.77 -1.26 -4.91 117.00 128.00 1rj5 n LEU 54 Ca 0.06 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.97 1rj5 n LEU 54 Cb 0.38 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1rj5 n LEU 54 CO 0.33 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1rj5 n GLY 54 N -0.17 0.84 0.00 -0.72 0.00 -1.26 -4.52 105.19 99.36 1rj5 n GLY 54 Ca 0.40 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1rj5 n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rj5 n THR 54 N 0.00 0.00 -2.33 2.61 -1.04 -1.26 -4.88 114.28 107.38 1rj5 n THR 54 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1rj5 n THR 54 Cb 0.00 -0.77 -0.03 0.00 -1.82 0.00 0.00 70.33 67.71 1rj5 n THR 54 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1rj5 s GLU 55 N -1.95 4.40 0.35 -2.82 2.02 -1.26 -4.77 118.70 114.67 1rj5 s GLU 55 Ca 0.00 1.91 -0.27 0.00 0.02 0.00 0.00 54.97 56.63 1rj5 s GLU 55 Cb 0.00 -3.00 -0.12 0.00 0.10 0.00 0.00 34.13 31.10 1rj5 s GLU 55 CO 0.00 -0.04 1.11 -2.30 0.02 0.00 0.00 175.26 174.05 1rj5 n PRO 56 N 0.75 1.64 -3.57 0.39 -0.02 -1.26 -4.49 135.00 128.43 1rj5 n PRO 56 Ca 0.01 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 1rj5 n PRO 56 Cb 0.45 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.80 1rj5 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rj5 s LEU 57 N -0.37 4.28 -0.16 2.45 1.43 -0.55 -4.80 118.68 120.96 1rj5 s LEU 57 Ca 0.59 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 1rj5 s LEU 57 Cb -0.61 -3.26 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 1rj5 s LEU 57 CO 0.60 0.07 0.61 -0.62 0.23 0.00 0.00 176.35 177.25 1rj5 s ASP 58 N -2.14 6.74 -0.25 2.29 -1.08 -1.26 -0.82 116.67 120.15 1rj5 s ASP 58 Ca 0.39 0.89 0.03 0.00 -0.52 0.00 0.00 52.55 53.34 1rj5 s ASP 58 Cb -0.13 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1rj5 s ASP 58 CO 0.21 -0.19 -0.11 -0.22 0.52 0.00 0.00 175.17 175.38 1rj5 s LEU 59 N 1.47 3.33 0.41 -1.34 2.96 0.30 0.07 118.68 125.89 1rj5 s LEU 59 Ca 0.30 -1.35 0.03 0.00 -0.22 0.00 0.00 54.13 52.89 1rj5 s LEU 59 Cb -0.16 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1rj5 s LEU 59 CO 0.12 -0.18 0.10 -1.38 -1.32 0.00 0.00 176.35 173.68 1rj5 s HIS 60 N 1.13 1.84 -0.18 5.38 -3.43 0.31 -2.06 115.29 118.27 1rj5 s HIS 60 Ca -0.08 -1.17 -0.02 0.00 -0.80 0.00 0.00 55.06 52.99 1rj5 s HIS 60 Cb -0.20 -1.25 -0.00 0.00 -1.43 0.00 0.00 32.58 29.70 1rj5 s HIS 60 CO -0.05 -0.16 -0.10 1.21 -2.00 0.00 0.00 174.74 173.64 1rj5 s ASN 61 N -3.62 3.95 0.00 7.38 3.84 -0.89 -1.15 114.94 124.46 1rj5 s ASN 61 Ca 0.24 -0.43 0.22 0.00 0.21 0.00 0.00 52.86 53.10 1rj5 s ASN 61 Cb 0.04 -1.64 -0.09 0.00 -0.55 0.00 0.00 41.25 39.00 1rj5 s ASN 61 CO 0.13 0.04 0.96 0.59 -2.79 0.00 0.00 177.10 176.03 1rj5 n ASN 62 N 4.38 0.80 0.00 -4.21 5.03 -0.82 -0.20 115.26 120.23 1rj5 n ASN 62 Ca -0.19 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.55 1rj5 n ASN 62 Cb 0.51 0.94 0.00 0.00 -1.02 0.00 0.00 39.78 40.21 1rj5 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rj5 n GLY 63 N 1.47 1.42 0.00 7.41 0.00 -1.26 -4.72 105.19 109.51 1rj5 n GLY 63 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1rj5 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rj5 n HIS 64 N -2.00 0.00 -3.67 1.61 -0.00 -1.26 -4.63 115.22 105.27 1rj5 n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1rj5 n HIS 64 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 29.98 1rj5 n HIS 64 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1rj5 s THR 65 N -2.01 0.00 -0.23 1.59 -1.32 -1.26 -4.82 115.64 107.60 1rj5 s THR 65 Ca -0.00 -0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 1rj5 s THR 65 Cb 0.00 -2.15 -0.05 0.00 -1.51 0.00 0.00 72.50 68.79 1rj5 s THR 65 CO 0.01 0.00 0.17 0.54 -2.21 0.00 0.00 174.62 173.13 1rj5 s VAL 66 N -2.32 5.36 -0.07 5.08 0.11 -1.26 -1.95 120.40 125.35 1rj5 s VAL 66 Ca 0.17 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1rj5 s VAL 66 Cb 0.04 -3.51 0.01 0.00 -1.53 0.00 0.00 36.38 31.39 1rj5 s VAL 66 CO -0.04 0.37 -0.17 -1.58 -3.33 0.00 0.00 175.10 170.35 1rj5 s GLN 67 N 0.87 2.09 0.01 1.54 0.74 -0.30 -3.18 119.66 121.44 1rj5 s GLN 67 Ca 0.09 -0.59 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1rj5 s GLN 67 Cb -0.13 -1.69 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 1rj5 s GLN 67 CO 0.03 0.12 0.16 -1.17 -0.55 0.00 0.00 175.29 173.88 1rj5 s LEU 68 N 0.42 4.24 0.13 3.68 2.96 0.11 -0.53 118.68 129.70 1rj5 s LEU 68 Ca -0.13 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 1rj5 s LEU 68 Cb -0.15 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 1rj5 s LEU 68 CO 0.05 0.24 0.32 -0.44 -1.32 0.00 0.00 176.35 175.20 1rj5 s SER 69 N -2.03 6.41 0.00 3.68 0.01 0.11 -1.77 113.70 120.11 1rj5 s SER 69 Ca 0.28 0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.99 1rj5 s SER 69 Cb -0.13 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 1rj5 s SER 69 CO 0.20 0.06 -0.15 -0.76 0.41 0.00 0.00 173.24 173.00 1rj5 s LEU 70 N -2.85 2.07 0.71 2.44 1.43 -0.74 -4.52 118.68 117.23 1rj5 s LEU 70 Ca 0.38 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1rj5 s LEU 70 Cb -0.12 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1rj5 s LEU 70 CO 0.27 0.14 1.18 -2.84 0.23 0.00 0.00 176.35 175.33 1rj5 s PRO 71 N -0.59 2.31 0.00 1.29 0.02 -1.26 -4.56 135.00 132.20 1rj5 s PRO 71 Ca 0.05 1.68 0.25 0.00 0.02 0.00 0.00 61.00 62.99 1rj5 s PRO 71 Cb -0.06 -1.86 1.43 0.00 0.02 0.00 0.00 34.50 34.03 1rj5 s PRO 71 CO 0.00 -1.69 1.83 -2.30 -0.33 0.00 0.00 177.00 174.51 1rj5 n PRO 72 N -2.62 0.71 0.08 5.54 -0.02 -1.26 -2.81 135.00 134.61 1rj5 n PRO 72 Ca 0.13 0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1rj5 n PRO 72 Cb 0.51 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.95 1rj5 n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rj5 n THR 76 N -1.04 0.52 -2.75 3.45 -2.24 -1.26 -4.69 114.28 106.25 1rj5 n THR 76 Ca 0.17 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 1rj5 n THR 76 Cb 0.10 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.62 1rj5 n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rj5 s LEU 77 N -4.08 4.01 -0.14 3.22 1.43 -1.12 -5.00 118.68 117.00 1rj5 s LEU 77 Ca 0.10 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 1rj5 s LEU 77 Cb 0.13 -3.37 0.01 0.00 0.03 0.00 0.00 46.19 42.99 1rj5 s LEU 77 CO 0.53 -0.75 -0.22 -1.00 0.23 0.00 0.00 176.35 175.14 1rj5 s HIS 78 N 3.34 2.66 -0.26 0.29 3.76 -1.26 -1.29 115.29 122.54 1rj5 s HIS 78 Ca 0.41 -1.31 -0.17 0.00 -0.15 0.00 0.00 55.06 53.84 1rj5 s HIS 78 Cb -0.13 -1.81 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 1rj5 s HIS 78 CO 0.13 -0.59 0.47 -1.17 -0.85 0.00 0.00 174.74 172.73 1rj5 s LEU 79 N 0.76 4.05 0.35 0.89 2.96 -0.15 -1.63 118.68 125.92 1rj5 s LEU 79 Ca -0.08 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.37 1rj5 s LEU 79 Cb -0.16 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1rj5 s LEU 79 CO -0.01 -0.25 0.22 -0.83 -1.32 0.00 0.00 176.35 174.17 1rj5 s GLY 80 N 1.54 1.92 0.00 7.98 0.00 -0.85 -3.24 107.32 114.67 1rj5 s GLY 80 Ca 0.20 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.13 1rj5 s GLY 80 CO 0.09 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 172.11 1rj5 n GLY 81 N -1.28 0.39 3.99 0.20 0.00 -1.26 -1.96 105.19 105.28 1rj5 n GLY 81 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1rj5 n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rj5 s LEU 84 N 0.00 3.33 0.43 0.99 1.43 -1.26 -4.58 118.68 119.01 1rj5 s LEU 84 Ca 0.00 -0.70 0.12 0.00 -1.03 0.00 0.00 54.13 52.52 1rj5 s LEU 84 Cb 0.00 -2.05 1.00 0.00 0.03 0.00 0.00 46.19 45.16 1rj5 s LEU 84 CO 0.00 -0.99 2.00 -0.65 0.23 0.00 0.00 176.35 176.93 1rj5 h PRO 85 N 0.53 0.42 -5.24 1.29 0.11 -1.99 -3.43 132.00 123.69 1rj5 h PRO 85 Ca -0.36 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.16 1rj5 h PRO 85 Cb 1.28 -0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 1rj5 h PRO 85 CO 0.46 0.28 -0.56 1.03 -0.21 0.00 0.00 178.00 179.00 1rj5 s ARG 86 N -5.41 1.88 -0.23 1.05 0.52 -1.26 -5.12 118.95 110.39 1rj5 s ARG 86 Ca -0.08 -2.11 -0.19 0.00 -0.52 0.00 0.00 55.73 52.83 1rj5 s ARG 86 Cb 0.19 -1.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 1rj5 s ARG 86 CO 0.74 -0.28 0.53 0.15 0.02 0.00 0.00 175.30 176.47 1rj5 s LYS 87 N -3.81 4.14 0.09 3.54 1.02 -1.26 -4.84 119.74 118.62 1rj5 s LYS 87 Ca 0.27 0.40 0.05 0.00 0.02 0.00 0.00 55.97 56.71 1rj5 s LYS 87 Cb 0.06 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1rj5 s LYS 87 CO 0.13 -0.26 -0.00 0.71 -0.92 0.00 0.00 175.35 175.01 1rj5 s TYR 88 N 2.00 2.98 -0.13 3.18 1.51 -1.20 -2.85 117.35 122.83 1rj5 s TYR 88 Ca 0.23 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1rj5 s TYR 88 Cb -0.16 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1rj5 s TYR 88 CO 0.09 0.48 -0.22 0.99 -1.11 0.00 0.00 175.55 175.78 1rj5 s THR 89 N -1.32 2.06 0.45 -0.71 2.01 -0.09 -0.97 115.64 117.06 1rj5 s THR 89 Ca 0.26 -0.99 -0.25 0.00 0.31 0.00 0.00 61.69 61.02 1rj5 s THR 89 Cb -0.12 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 1rj5 s THR 89 CO 0.18 0.55 1.41 0.00 -0.69 0.00 0.00 174.62 176.07 1rj5 s ALA 90 N 0.71 3.24 0.00 7.40 0.00 -0.41 -1.84 121.76 130.86 1rj5 s ALA 90 Ca -0.10 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1rj5 s ALA 90 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1rj5 s ALA 90 CO 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 175.76 174.62 1rj5 n ALA 91 N -0.16 2.68 -2.94 0.00 0.00 -0.64 -4.51 120.51 114.95 1rj5 n ALA 91 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 1rj5 n ALA 91 Cb 0.42 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 1rj5 n ALA 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1rj5 s GLN 92 N -1.85 1.56 -0.16 0.00 1.03 -1.14 -1.79 119.66 117.31 1rj5 s GLN 92 Ca 0.00 -1.43 -0.14 0.00 0.04 0.00 0.00 55.36 53.83 1rj5 s GLN 92 Cb 0.00 0.43 0.04 0.00 0.03 0.00 0.00 33.01 33.51 1rj5 s GLN 92 CO 0.00 -0.63 0.42 -1.17 -2.54 0.00 0.00 175.29 171.37 1rj5 s LEU 93 N -3.09 0.36 0.00 2.60 0.20 -0.73 -1.42 118.68 116.61 1rj5 s LEU 93 Ca 0.27 0.85 -0.08 0.00 0.69 0.00 0.00 54.13 55.86 1rj5 s LEU 93 Cb 0.01 1.45 0.03 0.00 -0.43 0.00 0.00 46.19 47.25 1rj5 s LEU 93 CO 0.12 -0.15 0.63 0.00 -0.29 0.00 0.00 176.35 176.66 1rj5 n HIS 94 N 2.91 -1.90 -4.37 5.38 1.44 -0.83 0.10 115.22 117.96 1rj5 n HIS 94 Ca -0.14 -2.07 -0.19 0.00 -2.01 0.00 0.00 57.72 53.32 1rj5 n HIS 94 Cb 0.57 0.73 -0.10 0.00 0.12 0.00 0.00 29.99 31.30 1rj5 n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1rj5 s LEU 95 N 0.00 2.27 -0.01 2.39 1.43 -1.19 -1.87 118.68 121.71 1rj5 s LEU 95 Ca 0.22 -1.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.10 1rj5 s LEU 95 Cb -0.03 -0.38 0.01 0.00 0.03 0.00 0.00 46.19 45.81 1rj5 s LEU 95 CO 0.16 -0.47 -0.01 -1.00 0.23 0.00 0.00 176.35 175.25 1rj5 s HIS 96 N -3.29 0.21 0.15 0.29 3.76 -0.64 -4.60 115.29 111.16 1rj5 s HIS 96 Ca 0.29 -0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 55.06 1rj5 s HIS 96 Cb 0.05 -0.19 0.01 0.00 1.11 0.00 0.00 32.58 33.56 1rj5 s HIS 96 CO 0.10 -0.04 0.36 1.67 -0.85 0.00 0.00 174.74 175.99 1rj5 s TRP 97 N 0.26 0.08 0.61 1.40 -2.14 -1.21 -1.60 118.94 116.34 1rj5 s TRP 97 Ca -0.02 -0.44 0.01 0.00 2.66 0.00 0.00 56.10 58.31 1rj5 s TRP 97 Cb -0.04 0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.54 1rj5 s TRP 97 CO -0.01 -0.75 0.85 0.20 -2.66 0.00 0.00 176.95 174.59 1rj5 s GLY 98 N -2.89 1.80 1.01 3.67 0.00 -1.25 -2.41 107.32 107.25 1rj5 s GLY 98 Ca 0.10 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 1rj5 s GLY 98 CO -0.05 -1.15 1.08 -0.86 0.00 0.00 0.00 173.10 172.12 1rj5 s GLN 99 N -4.88 0.35 0.21 2.90 -2.07 -1.26 -4.19 119.66 110.71 1rj5 s GLN 99 Ca 0.61 0.74 -0.32 0.00 -1.82 0.00 0.00 55.36 54.56 1rj5 s GLN 99 Cb -0.08 -1.71 -0.13 0.00 -1.09 0.00 0.00 33.01 30.00 1rj5 s GLN 99 CO 0.40 -2.84 1.59 0.54 -1.32 0.00 0.00 175.29 173.66 1rj5 n ARG 100 N -4.29 2.38 0.00 9.60 1.74 -1.26 -1.66 116.66 123.17 1rj5 n ARG 100 Ca 0.05 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.99 1rj5 n ARG 100 Cb 0.56 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1rj5 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rj5 n GLY 101 N 3.15 3.03 3.91 -0.13 0.00 -1.26 -5.04 105.19 108.85 1rj5 n GLY 101 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1rj5 n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rj5 s SER 102 N -1.21 6.43 -0.16 1.61 0.15 -0.66 -4.99 113.70 114.86 1rj5 s SER 102 Ca 0.00 0.65 0.16 0.00 0.70 0.00 0.00 55.95 57.46 1rj5 s SER 102 Cb 0.00 -2.12 0.35 0.00 -1.71 0.00 0.00 66.02 62.54 1rj5 s SER 102 CO 0.00 -0.18 1.20 -0.11 1.20 0.00 0.00 173.24 175.35 1rj5 n LEU 102 N -0.95 2.61 -3.78 3.45 7.94 -1.26 -4.84 117.00 120.17 1rj5 n LEU 102 Ca -0.02 -3.35 -0.29 0.00 -1.11 0.00 0.00 56.01 51.24 1rj5 n LEU 102 Cb 0.54 -0.47 -0.16 0.00 0.53 0.00 0.00 43.42 43.86 1rj5 n LEU 102 CO 0.48 0.93 -0.36 -1.61 -1.11 0.00 0.00 177.39 175.72 1rj5 s GLU 103 N -2.99 0.89 0.00 1.96 2.02 -1.25 -2.83 118.70 116.49 1rj5 s GLU 103 Ca 0.35 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.54 1rj5 s GLU 103 Cb 0.31 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1rj5 s GLU 103 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1rj5 n GLY 104 N 4.89 1.00 3.79 -1.39 0.00 0.11 -4.04 105.19 109.53 1rj5 n GLY 104 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1rj5 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rj5 s SER 105 N -0.00 4.16 -0.24 1.61 1.04 -0.85 -3.29 113.70 116.12 1rj5 s SER 105 Ca 0.00 1.28 -0.03 0.00 0.48 0.00 0.00 55.95 57.69 1rj5 s SER 105 Cb 0.00 -1.98 -0.18 0.00 0.10 0.00 0.00 66.02 63.96 1rj5 s SER 105 CO 0.00 -2.18 -0.15 -0.62 0.98 0.00 0.00 173.24 171.27 1rj5 n GLU 106 N -3.56 0.65 -3.14 4.02 1.02 -1.26 -4.86 120.64 113.50 1rj5 n GLU 106 Ca 0.07 0.20 -0.35 0.00 -0.02 0.00 0.00 57.16 57.05 1rj5 n GLU 106 Cb 0.57 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1rj5 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rj5 s HIS 107 N -2.52 3.60 0.30 -0.32 3.76 -1.26 -4.16 115.29 114.69 1rj5 s HIS 107 Ca -0.34 1.32 0.10 0.00 -0.15 0.00 0.00 55.06 55.99 1rj5 s HIS 107 Cb 0.09 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.16 1rj5 s HIS 107 CO 0.61 0.31 -0.03 -1.01 -0.85 0.00 0.00 174.74 173.77 1rj5 s HIS 108 N -1.59 2.55 -0.27 1.40 3.76 -1.18 -4.63 115.29 115.34 1rj5 s HIS 108 Ca 0.44 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1rj5 s HIS 108 Cb -0.15 -1.30 0.09 0.00 1.11 0.00 0.00 32.58 32.32 1rj5 s HIS 108 CO 0.20 0.57 0.08 0.42 -0.85 0.00 0.00 174.74 175.15 1rj5 s ILE 109 N -2.45 0.70 -1.21 0.60 -1.09 -0.47 -1.42 121.20 115.85 1rj5 s ILE 109 Ca 0.33 -1.07 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1rj5 s ILE 109 Cb -0.03 -1.41 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 1rj5 s ILE 109 CO 0.19 -0.52 1.02 0.59 -1.23 0.00 0.00 174.94 174.99 1rj5 n ASN 110 N 4.94 -2.96 0.00 3.58 3.02 0.59 -2.14 115.26 122.29 1rj5 n ASN 110 Ca -0.05 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1rj5 n ASN 110 Cb 0.44 -5.03 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 1rj5 n ASN 110 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rj5 n SER 111 N -3.06 -2.17 -4.60 6.41 7.64 -1.26 -5.00 113.62 111.58 1rj5 n SER 111 Ca -0.22 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.30 1rj5 n SER 111 Cb 0.64 -1.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 1rj5 n SER 111 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1rj5 s GLU 112 N -0.80 3.94 0.10 1.43 2.02 -0.91 -5.04 118.70 119.44 1rj5 s GLU 112 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.67 1rj5 s GLU 112 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1rj5 s GLU 112 CO 0.00 0.13 0.11 0.00 0.02 0.00 0.00 175.26 175.53 1rj5 s ALA 113 N 0.78 3.62 0.39 5.21 0.00 -1.26 -1.37 121.76 129.13 1rj5 s ALA 113 Ca 0.05 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 51.02 1rj5 s ALA 113 Cb -0.13 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.59 1rj5 s ALA 113 CO 0.02 0.68 0.52 0.25 0.00 0.00 0.00 175.76 177.24 1rj5 n THR 114 N 0.19 0.00 0.01 0.00 -2.24 -1.26 -4.79 114.28 106.18 1rj5 n THR 114 Ca -0.08 -1.32 -0.02 0.00 -2.27 0.00 0.00 64.05 60.36 1rj5 n THR 114 Cb 0.52 -0.64 0.23 0.00 -2.10 0.00 0.00 70.33 68.34 1rj5 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rj5 h ALA 115 N 0.27 1.18 -2.89 6.98 0.00 -1.08 0.32 119.26 124.04 1rj5 h ALA 115 Ca -0.19 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1rj5 h ALA 115 Cb 0.84 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 1rj5 h ALA 115 CO 0.27 0.52 0.26 0.00 0.00 0.00 0.00 179.25 180.30 1rj5 s ALA 116 N -4.64 -1.53 -0.02 0.00 0.00 -0.77 -2.46 121.76 112.34 1rj5 s ALA 116 Ca -0.07 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1rj5 s ALA 116 Cb 0.14 0.82 0.01 0.00 0.00 0.00 0.00 23.12 24.09 1rj5 s ALA 116 CO 0.78 -0.85 -0.04 -2.00 0.00 0.00 0.00 175.76 173.66 1rj5 s GLU 117 N -3.71 0.54 -0.21 0.00 2.12 -0.63 0.13 118.70 116.95 1rj5 s GLU 117 Ca 0.05 -0.09 -0.09 0.00 0.36 0.00 0.00 54.97 55.19 1rj5 s GLU 117 Cb -0.02 -0.58 -0.05 0.00 0.26 0.00 0.00 34.13 33.74 1rj5 s GLU 117 CO -0.07 -0.02 0.12 -1.17 -0.54 0.00 0.00 175.26 173.59 1rj5 s LEU 118 N 0.53 4.01 -0.18 2.70 2.96 0.12 -1.62 118.68 127.19 1rj5 s LEU 118 Ca -0.06 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1rj5 s LEU 118 Cb -0.10 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 1rj5 s LEU 118 CO -0.00 0.12 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.03 1rj5 s HIS 119 N 0.74 2.86 -0.40 5.38 3.76 -0.78 -0.35 115.29 126.49 1rj5 s HIS 119 Ca 0.06 -1.06 -0.06 0.00 -0.15 0.00 0.00 55.06 53.85 1rj5 s HIS 119 Cb -0.13 -1.98 0.09 0.00 1.11 0.00 0.00 32.58 31.67 1rj5 s HIS 119 CO 0.02 -0.53 0.21 0.08 -0.85 0.00 0.00 174.74 173.67 1rj5 s VAL 120 N 1.11 3.75 -0.10 -0.90 1.01 -0.41 -1.96 120.40 122.89 1rj5 s VAL 120 Ca 0.00 -1.63 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 1rj5 s VAL 120 Cb -0.14 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1rj5 s VAL 120 CO -0.03 -0.52 0.87 -0.69 0.00 0.00 0.00 175.10 174.72 1rj5 s VAL 121 N 1.31 4.89 0.38 2.92 1.01 -0.51 -1.38 120.40 129.02 1rj5 s VAL 121 Ca 0.04 1.75 0.08 0.00 0.00 0.00 0.00 61.98 63.85 1rj5 s VAL 121 Cb -0.23 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1rj5 s VAL 121 CO -0.01 0.09 -0.03 -1.00 0.00 0.00 0.00 175.10 174.16 1rj5 s HIS 122 N 1.63 2.46 -0.01 5.22 3.76 0.73 -1.62 115.29 127.46 1rj5 s HIS 122 Ca 0.43 -0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 54.68 1rj5 s HIS 122 Cb -0.18 -1.62 -0.00 0.00 1.11 0.00 0.00 32.58 31.88 1rj5 s HIS 122 CO 0.18 0.48 0.08 1.52 -0.85 0.00 0.00 174.74 176.15 1rj5 s TYR 123 N -2.69 0.05 -0.81 1.40 -0.85 -0.77 -1.90 117.35 111.78 1rj5 s TYR 123 Ca 0.34 -0.11 -0.25 0.00 -0.52 0.00 0.00 57.07 56.53 1rj5 s TYR 123 Cb 0.07 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 1rj5 s TYR 123 CO 0.17 -0.18 1.91 0.34 -1.52 0.00 0.00 175.55 176.27 1rj5 s ASP 124 N -0.93 5.20 0.00 -0.18 3.68 0.70 -0.91 116.67 124.24 1rj5 s ASP 124 Ca -0.10 -0.36 0.25 0.00 2.13 0.00 0.00 52.55 54.46 1rj5 s ASP 124 Cb -0.06 -2.55 1.17 0.00 -1.45 0.00 0.00 42.92 40.03 1rj5 s ASP 124 CO 0.00 -2.61 1.79 -1.54 0.13 0.00 0.00 175.17 172.94 1rj5 n SER 125 N 13.52 0.86 -0.03 -0.34 3.41 -1.13 -2.18 113.62 127.72 1rj5 n SER 125 Ca 0.34 -1.43 -0.06 0.00 -0.26 0.00 0.00 58.87 57.45 1rj5 n SER 125 Cb 0.49 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1rj5 n SER 125 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1rj5 n GLN 126 N -0.27 0.64 0.00 4.33 7.27 -1.24 -4.37 117.38 123.74 1rj5 n GLN 126 Ca 0.18 0.20 0.04 0.00 0.07 0.00 0.00 57.00 57.48 1rj5 n GLN 126 Cb 0.22 -1.73 -0.03 0.00 2.41 0.00 0.00 30.24 31.12 1rj5 n GLN 126 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1rj5 n SER 127 N -2.92 0.57 -4.03 1.69 7.64 -1.22 -5.04 113.62 110.31 1rj5 n SER 127 Ca -0.18 -0.78 -0.08 0.00 1.01 0.00 0.00 58.87 58.83 1rj5 n SER 127 Cb 1.01 0.85 -0.09 0.00 -1.01 0.00 0.00 64.21 64.97 1rj5 n SER 127 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rj5 s TYR 128 N -1.59 0.45 -0.07 1.43 1.51 -0.93 -5.09 117.35 113.06 1rj5 s TYR 128 Ca 0.04 -0.95 -0.16 0.00 -1.01 0.00 0.00 57.07 54.99 1rj5 s TYR 128 Cb 0.06 -0.31 -0.11 0.00 -0.11 0.00 0.00 41.96 41.49 1rj5 s TYR 128 CO 0.29 -0.44 0.61 0.66 -1.11 0.00 0.00 175.55 175.56 1rj5 h SER 129 N 3.02 -0.20 -2.93 2.29 4.64 -1.87 -3.38 113.55 115.12 1rj5 h SER 129 Ca -0.34 -0.24 -0.50 0.00 -0.47 0.00 0.00 61.79 60.24 1rj5 h SER 129 Cb 1.16 0.05 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 1rj5 h SER 129 CO 0.63 0.35 -0.65 -0.94 -0.87 0.00 0.00 176.83 175.35 1rj5 s SER 130 N -5.42 2.73 0.26 4.97 1.04 -1.26 -4.94 113.70 111.08 1rj5 s SER 130 Ca -0.09 -1.26 -0.04 0.00 0.48 0.00 0.00 55.95 55.05 1rj5 s SER 130 Cb 0.00 -0.16 0.36 0.00 0.10 0.00 0.00 66.02 66.32 1rj5 s SER 130 CO 0.33 -0.43 1.90 0.25 0.98 0.00 0.00 173.24 176.28 1rj5 h LEU 131 N 2.20 1.08 -1.13 2.42 5.85 -1.94 -1.31 115.31 122.47 1rj5 h LEU 131 Ca -0.40 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.22 1rj5 h LEU 131 Cb 1.24 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1rj5 h LEU 131 CO 0.69 0.72 -0.38 0.77 -0.34 0.00 0.00 178.44 179.90 1rj5 h SER 132 N 1.24 0.10 -0.43 1.25 4.64 -1.99 0.11 113.55 118.47 1rj5 h SER 132 Ca 0.41 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.56 1rj5 h SER 132 Cb 0.05 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1rj5 h SER 132 CO -0.14 0.48 -0.25 -0.08 -0.87 0.00 0.00 176.83 175.98 1rj5 h GLU 133 N 0.08 0.95 0.00 4.77 4.81 -1.67 -3.09 114.58 120.43 1rj5 h GLU 133 Ca 0.01 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1rj5 h GLU 133 Cb 0.72 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1rj5 h GLU 133 CO 0.05 1.08 -0.45 0.00 -0.73 0.00 0.00 179.01 178.96 1rj5 h ALA 134 N 0.90 0.77 -0.87 2.92 0.00 -1.11 -3.34 119.26 118.53 1rj5 h ALA 134 Ca 0.10 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.98 1rj5 h ALA 134 Cb 0.82 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1rj5 h ALA 134 CO 0.07 0.37 0.78 0.00 0.00 0.00 0.00 179.25 180.47 1rj5 h ALA 135 N 1.72 2.72 0.00 0.00 0.00 -0.70 -0.23 119.26 122.77 1rj5 h ALA 135 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rj5 h ALA 135 Cb 1.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1rj5 h ALA 135 CO 0.03 -1.23 -0.33 1.04 0.00 0.00 0.00 179.25 178.76 1rj5 n GLN 136 N -3.80 1.42 -4.62 0.00 6.02 -1.25 -4.56 117.38 110.58 1rj5 n GLN 136 Ca 0.18 -2.99 -0.33 0.00 -0.01 0.00 0.00 57.00 53.85 1rj5 n GLN 136 Cb 1.08 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.70 1rj5 n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rj5 s LYS 137 N -3.00 2.64 0.04 -1.09 -0.14 -0.10 -5.02 119.74 113.08 1rj5 s LYS 137 Ca 0.35 -0.63 -0.34 0.00 -1.36 0.00 0.00 55.97 54.00 1rj5 s LYS 137 Cb 0.33 -2.52 -0.12 0.00 -1.68 0.00 0.00 37.83 33.84 1rj5 s LYS 137 CO -0.04 0.64 1.76 -2.30 -0.76 0.00 0.00 175.35 174.65 1rj5 n PRO 138 N 2.03 2.27 -1.22 -1.68 -0.02 -1.26 -0.16 135.00 134.96 1rj5 n PRO 138 Ca -0.17 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1rj5 n PRO 138 Cb 0.53 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1rj5 n PRO 138 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rj5 n GLN 139 N 5.27 -1.02 -0.23 -0.52 1.13 -1.19 -4.90 117.38 115.91 1rj5 n GLN 139 Ca 0.20 0.68 -0.07 0.00 -1.94 0.00 0.00 57.00 55.87 1rj5 n GLN 139 Cb 0.31 -4.66 0.04 0.00 0.11 0.00 0.00 30.24 26.03 1rj5 n GLN 139 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1rj5 h GLY 140 N 0.00 1.04 -3.07 1.08 0.00 -0.17 -3.44 103.07 98.51 1rj5 h GLY 140 Ca -0.15 -0.58 -0.52 0.00 0.00 0.00 0.00 47.33 46.09 1rj5 h GLY 140 CO 0.22 0.54 -0.53 1.08 0.00 0.00 0.00 176.54 177.85 1rj5 s LEU 141 N -9.73 3.82 -0.15 3.11 1.43 -0.82 -0.21 118.68 116.14 1rj5 s LEU 141 Ca -0.13 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1rj5 s LEU 141 Cb 0.14 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 44.05 1rj5 s LEU 141 CO 0.81 -0.02 0.18 0.00 0.23 0.00 0.00 176.35 177.55 1rj5 s ALA 142 N -2.06 -0.13 0.12 4.21 0.00 -0.80 -1.76 121.76 121.34 1rj5 s ALA 142 Ca 0.33 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1rj5 s ALA 142 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1rj5 s ALA 142 CO 0.25 -0.93 -0.02 0.08 0.00 0.00 0.00 175.76 175.14 1rj5 s VAL 143 N 2.29 3.81 -0.19 0.00 1.01 -1.24 -0.19 120.40 125.89 1rj5 s VAL 143 Ca 0.04 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 1rj5 s VAL 143 Cb -0.14 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 1rj5 s VAL 143 CO -0.09 0.04 -0.08 -0.76 0.00 0.00 0.00 175.10 174.21 1rj5 s LEU 144 N -2.51 2.79 -0.25 3.92 1.43 -0.48 -2.50 118.68 121.08 1rj5 s LEU 144 Ca 0.26 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1rj5 s LEU 144 Cb -0.11 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1rj5 s LEU 144 CO 0.18 0.04 0.05 -0.83 0.23 0.00 0.00 176.35 176.02 1rj5 s GLY 145 N 1.09 1.74 -0.22 -3.19 0.00 -0.21 -1.28 107.32 105.24 1rj5 s GLY 145 Ca 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 1rj5 s GLY 145 CO -0.01 0.52 -0.05 -0.42 0.00 0.00 0.00 173.10 173.14 1rj5 s ILE 146 N 1.59 3.28 0.19 0.90 1.09 0.52 -1.91 121.20 126.87 1rj5 s ILE 146 Ca 0.06 -0.56 -0.27 0.00 -1.10 0.00 0.00 60.65 58.78 1rj5 s ILE 146 Cb -0.15 -2.51 -0.08 0.00 -1.06 0.00 0.00 42.46 38.66 1rj5 s ILE 146 CO 0.03 0.40 0.85 -0.76 -0.10 0.00 0.00 174.94 175.35 1rj5 s LEU 147 N 1.46 4.61 -0.17 2.97 1.43 -1.26 0.15 118.68 127.86 1rj5 s LEU 147 Ca 0.05 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1rj5 s LEU 147 Cb -0.14 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1rj5 s LEU 147 CO -0.04 0.17 -0.16 -0.63 0.23 0.00 0.00 176.35 175.93 1rj5 s ILE 148 N -1.08 2.54 0.36 -0.59 1.01 0.36 -1.38 121.20 122.41 1rj5 s ILE 148 Ca 0.38 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1rj5 s ILE 148 Cb -0.24 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1rj5 s ILE 148 CO 0.29 0.51 0.28 -1.61 0.00 0.00 0.00 174.94 174.41 1rj5 s GLU 149 N 1.07 2.61 -0.39 2.79 2.02 0.33 -1.43 118.70 125.70 1rj5 s GLU 149 Ca -0.01 -1.40 -0.17 0.00 0.02 0.00 0.00 54.97 53.41 1rj5 s GLU 149 Cb -0.14 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.70 1rj5 s GLU 149 CO -0.05 0.03 0.43 0.08 0.02 0.00 0.00 175.26 175.77 1rj5 s VAL 150 N -2.37 5.09 0.47 2.63 1.01 -1.26 -1.70 120.40 124.27 1rj5 s VAL 150 Ca 0.42 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1rj5 s VAL 150 Cb -0.04 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1rj5 s VAL 150 CO 0.26 -0.30 0.65 0.61 0.00 0.00 0.00 175.10 176.32 1rj5 n GLY 151 N 5.02 1.78 0.05 4.51 0.00 -0.58 -4.88 105.19 111.10 1rj5 n GLY 151 Ca -0.07 -2.18 0.12 0.00 0.00 0.00 0.00 46.02 43.88 1rj5 n GLY 151 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rj5 n GLU 151 N -2.05 0.33 -4.05 1.61 -0.58 -1.26 -3.99 120.64 110.65 1rj5 n GLU 151 Ca 0.13 0.04 -0.28 0.00 -0.42 0.00 0.00 57.16 56.63 1rj5 n GLU 151 Cb 0.47 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 29.63 1rj5 n GLU 151 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1rj5 s THR 152 N -3.21 4.61 0.03 2.62 -1.32 -1.26 -4.93 115.64 112.18 1rj5 s THR 152 Ca 0.04 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 59.35 1rj5 s THR 152 Cb 0.13 -3.29 -0.05 0.00 -1.51 0.00 0.00 72.50 67.78 1rj5 s THR 152 CO 0.77 0.02 1.23 -0.70 -2.21 0.00 0.00 174.62 173.72 1rj5 s GLU 153 N -2.74 4.40 -0.50 7.08 2.56 -1.26 -2.99 118.70 125.24 1rj5 s GLU 153 Ca 0.31 1.78 -0.20 0.00 0.00 0.00 0.00 54.97 56.86 1rj5 s GLU 153 Cb -0.11 -3.41 0.05 0.00 2.00 0.00 0.00 34.13 32.66 1rj5 s GLU 153 CO 0.23 -0.33 0.66 1.21 -0.56 0.00 0.00 175.26 176.47 1rj5 s ASN 154 N 1.23 6.25 0.38 -1.70 3.84 -1.26 -4.92 114.94 118.76 1rj5 s ASN 154 Ca 0.59 -0.76 0.05 0.00 0.21 0.00 0.00 52.86 52.95 1rj5 s ASN 154 Cb -0.29 -2.31 0.74 0.00 -0.55 0.00 0.00 41.25 38.84 1rj5 s ASN 154 CO 0.27 -0.91 2.02 1.55 -2.79 0.00 0.00 177.10 177.25 1rj5 h PRO 155 N 9.01 0.68 -0.67 0.43 0.13 -1.94 -2.56 132.00 137.08 1rj5 h PRO 155 Ca -0.27 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 64.89 1rj5 h PRO 155 Cb 1.09 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 1rj5 h PRO 155 CO 0.96 0.46 0.34 0.00 -0.23 0.00 0.00 178.00 179.54 1rj5 h ALA 156 N 1.66 0.91 0.00 -0.56 0.00 -1.92 -2.42 119.26 116.93 1rj5 h ALA 156 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1rj5 h ALA 156 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1rj5 h ALA 156 CO -0.04 -0.02 -0.10 1.88 0.00 0.00 0.00 179.25 180.97 1rj5 h TYR 157 N 0.61 0.00 0.00 0.00 -1.99 -1.79 -3.17 116.97 110.64 1rj5 h TYR 157 Ca 0.32 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.04 1rj5 h TYR 157 Cb 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 1rj5 h TYR 157 CO -0.10 0.10 -0.05 -0.44 -0.00 0.00 0.00 178.16 177.67 1rj5 h ASP 158 N 0.00 0.00 0.00 3.88 3.32 -1.31 -0.08 116.42 122.23 1rj5 h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rj5 h ASP 158 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1rj5 h ASP 158 CO 0.01 0.05 0.01 1.41 -1.72 0.00 0.00 179.24 179.01 1rj5 n HIS 159 N -3.44 0.37 -0.00 4.55 8.25 -1.20 -1.09 115.22 122.66 1rj5 n HIS 159 Ca -0.02 0.20 -0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1rj5 n HIS 159 Cb 0.18 -0.80 -0.00 0.00 1.12 0.00 0.00 29.99 30.49 1rj5 n HIS 159 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1rj5 n ILE 160 N -1.88 0.00 0.19 1.59 5.41 -0.15 -4.72 119.36 119.80 1rj5 n ILE 160 Ca -0.01 -0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.80 1rj5 n ILE 160 Cb 0.03 -0.66 0.31 0.00 -0.71 0.00 0.00 39.64 38.61 1rj5 n ILE 160 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rj5 h LEU 161 N 0.00 0.00 -0.10 1.39 3.38 -1.04 -3.02 115.31 115.92 1rj5 h LEU 161 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rj5 h LEU 161 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1rj5 h LEU 161 CO -0.00 0.36 -0.00 -1.20 0.09 0.00 0.00 178.44 177.69 1rj5 n SER 162 N -3.43 0.15 -0.01 -0.43 7.64 -0.25 -3.32 113.62 113.97 1rj5 n SER 162 Ca 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1rj5 n SER 162 Cb 0.53 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1rj5 n SER 162 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rj5 n ARG 163 N -0.89 1.64 0.20 1.43 1.74 -1.15 -4.79 116.66 114.84 1rj5 n ARG 163 Ca 0.23 -1.08 0.03 0.00 -0.77 0.00 0.00 57.85 56.26 1rj5 n ARG 163 Cb 0.14 -0.79 0.41 0.00 -1.02 0.00 0.00 32.46 31.19 1rj5 n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1rj5 h LEU 164 N 0.00 0.00 -1.20 0.55 3.38 -1.54 -2.51 115.31 113.98 1rj5 h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rj5 h LEU 164 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1rj5 h LEU 164 CO 0.00 0.31 0.00 1.12 0.09 0.00 0.00 178.44 179.96 1rj5 h HIS 165 N 0.00 0.00 0.00 1.13 2.07 -1.87 -2.34 115.15 114.14 1rj5 h HIS 165 Ca -0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.36 1rj5 h HIS 165 Cb 0.56 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 1rj5 h HIS 165 CO 0.00 0.00 -0.73 0.93 -3.07 0.00 0.00 177.93 175.06 1rj5 h GLU 166 N 0.00 0.00 -0.89 5.12 5.08 -1.81 -3.30 114.58 118.77 1rj5 h GLU 166 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 1rj5 h GLU 166 Cb 0.39 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.23 1rj5 h GLU 166 CO 0.00 0.73 -0.61 0.44 -1.00 0.00 0.00 179.01 178.57 1rj5 n ILE 167 N -3.42 2.64 -0.07 3.13 -5.35 -0.90 -4.80 119.36 110.59 1rj5 n ILE 167 Ca 0.00 -4.18 -0.12 0.00 -0.27 0.00 0.00 62.75 58.18 1rj5 n ILE 167 Cb 0.78 -1.16 -0.06 0.00 -1.74 0.00 0.00 39.64 37.45 1rj5 n ILE 167 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1rj5 h ARG 168 N 2.23 -0.41 -6.75 6.28 3.08 -1.60 -3.43 114.38 113.77 1rj5 h ARG 168 Ca 0.39 0.03 -0.50 0.00 0.07 0.00 0.00 59.98 59.97 1rj5 h ARG 168 Cb 1.37 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1rj5 h ARG 168 CO 0.87 -0.27 0.08 0.71 -1.07 0.00 0.00 179.97 180.28 1rj5 s TYR 169 N -5.83 3.43 0.20 3.04 1.51 -1.26 0.33 117.35 118.77 1rj5 s TYR 169 Ca -0.15 1.08 -0.32 0.00 -1.01 0.00 0.00 57.07 56.66 1rj5 s TYR 169 Cb 0.10 -2.45 -0.14 0.00 -0.11 0.00 0.00 41.96 39.36 1rj5 s TYR 169 CO 0.64 0.01 1.37 1.17 -1.11 0.00 0.00 175.55 177.63 1rj5 n LYS 170 N -0.84 1.77 -0.10 -0.62 4.81 0.17 -2.07 118.16 121.27 1rj5 n LYS 170 Ca 0.02 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1rj5 n LYS 170 Cb 0.54 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1rj5 n LYS 170 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rj5 n ASP 171 N 2.35 0.00 -4.79 3.14 8.00 0.72 -4.42 116.55 121.56 1rj5 n ASP 171 Ca 0.14 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 1rj5 n ASP 171 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 1rj5 n ASP 171 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rj5 s GLN 172 N -0.35 4.09 0.35 -1.24 -0.21 -0.88 -4.81 119.66 116.61 1rj5 s GLN 172 Ca 0.00 1.47 0.05 0.00 0.02 0.00 0.00 55.36 56.90 1rj5 s GLN 172 Cb 0.00 -2.43 -0.03 0.00 1.00 0.00 0.00 33.01 31.55 1rj5 s GLN 172 CO 0.00 -0.20 0.20 -1.59 -2.12 0.00 0.00 175.29 171.58 1rj5 s LYS 173 N -2.68 1.77 0.02 2.91 -2.85 -1.26 -2.09 119.74 115.56 1rj5 s LYS 173 Ca 0.60 -2.04 -0.29 0.00 -1.00 0.00 0.00 55.97 53.24 1rj5 s LYS 173 Cb -0.20 -0.08 0.11 0.00 -2.06 0.00 0.00 37.83 35.59 1rj5 s LYS 173 CO 0.25 -0.55 1.24 -0.08 0.10 0.00 0.00 175.35 176.31 1rj5 s THR 174 N -3.42 0.00 0.11 3.79 -1.32 -0.88 -4.83 115.64 109.09 1rj5 s THR 174 Ca 0.34 -0.28 0.10 0.00 -1.21 0.00 0.00 61.69 60.64 1rj5 s THR 174 Cb 0.03 -2.31 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1rj5 s THR 174 CO 0.21 0.00 -0.25 -0.44 -2.21 0.00 0.00 174.62 171.92 1rj5 s SER 175 N -3.22 3.38 0.06 8.08 0.01 -1.26 -0.54 113.70 120.22 1rj5 s SER 175 Ca 0.18 -0.68 0.05 0.00 1.31 0.00 0.00 55.95 56.82 1rj5 s SER 175 Cb 0.02 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1rj5 s SER 175 CO -0.02 0.20 -0.15 0.68 0.41 0.00 0.00 173.24 174.36 1rj5 s VAL 176 N -1.01 1.18 0.20 3.43 -7.23 0.00 -4.86 120.40 112.11 1rj5 s VAL 176 Ca 0.14 -1.21 -0.32 0.00 -1.81 0.00 0.00 61.98 58.78 1rj5 s VAL 176 Cb -0.10 -1.10 -0.12 0.00 0.56 0.00 0.00 36.38 35.62 1rj5 s VAL 176 CO 0.06 -0.12 1.70 -2.84 -0.31 0.00 0.00 175.10 173.59 1rj5 s PRO 177 N -1.52 4.14 0.04 4.82 0.02 -1.26 -1.48 135.00 139.75 1rj5 s PRO 177 Ca 0.00 2.57 -0.33 0.00 0.02 0.00 0.00 61.00 63.26 1rj5 s PRO 177 Cb -0.09 -3.08 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 1rj5 s PRO 177 CO 0.02 -0.73 1.79 -0.35 -0.33 0.00 0.00 177.00 177.40 1rj5 n PRO 178 N 3.93 2.33 -4.53 5.54 -0.04 -1.26 -4.87 135.00 136.10 1rj5 n PRO 178 Ca 0.15 0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 64.17 1rj5 n PRO 178 Cb 0.36 -2.69 -0.08 0.00 -0.04 0.00 0.00 33.50 31.05 1rj5 n PRO 178 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1rj5 s PHE 179 N 2.88 2.12 -0.57 0.54 -0.12 -1.26 -4.89 117.98 116.67 1rj5 s PHE 179 Ca 0.86 -0.81 -0.27 0.00 -0.05 0.00 0.00 56.93 56.66 1rj5 s PHE 179 Cb -0.63 -1.74 0.03 0.00 -0.63 0.00 0.00 43.02 40.05 1rj5 s PHE 179 CO 0.44 0.20 1.14 0.45 -0.05 0.00 0.00 175.22 177.40 1rj5 s SER 180 N -3.88 6.43 0.35 1.98 0.15 -1.26 -4.57 113.70 112.89 1rj5 s SER 180 Ca 0.22 0.02 0.13 0.00 0.70 0.00 0.00 55.95 57.01 1rj5 s SER 180 Cb 0.04 -2.53 0.65 0.00 -1.71 0.00 0.00 66.02 62.47 1rj5 s SER 180 CO 0.12 -1.42 1.78 0.58 1.20 0.00 0.00 173.24 175.50 1rj5 h VAL 181 N 6.13 1.28 -0.85 4.45 2.07 -1.64 -2.71 116.25 124.99 1rj5 h VAL 181 Ca -0.25 -1.48 0.22 0.00 0.82 0.00 0.00 66.70 66.01 1rj5 h VAL 181 Cb 1.06 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1rj5 h VAL 181 CO 1.16 0.42 0.58 -0.09 0.02 0.00 0.00 177.57 179.66 1rj5 h ARG 182 N 0.00 0.19 0.00 1.57 9.65 -1.61 0.41 114.38 124.59 1rj5 h ARG 182 Ca -0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1rj5 h ARG 182 Cb 0.77 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1rj5 h ARG 182 CO 0.06 0.13 0.00 -1.91 2.80 0.00 0.00 179.97 181.04 1rj5 n GLU 183 N -4.40 0.30 0.10 0.20 4.07 -1.02 -2.43 120.64 117.46 1rj5 n GLU 183 Ca 0.18 0.09 0.12 0.00 -0.06 0.00 0.00 57.16 57.48 1rj5 n GLU 183 Cb 0.78 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.72 1rj5 n GLU 183 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1rj5 h LEU 184 N 0.00 0.00-10.11 4.31 3.38 -0.34 -3.44 115.31 109.10 1rj5 h LEU 184 Ca 0.00 -0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.41 1rj5 h LEU 184 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rj5 h LEU 184 CO 0.00 0.03 0.07 -0.36 0.09 0.00 0.00 178.44 178.28 1rj5 s PHE 185 N -3.30 3.45 0.78 1.13 0.08 -1.02 -4.87 117.98 114.23 1rj5 s PHE 185 Ca 0.02 1.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.95 1rj5 s PHE 185 Cb 0.10 -2.42 0.05 0.00 -0.57 0.00 0.00 43.02 40.18 1rj5 s PHE 185 CO 0.77 -0.02 1.07 -0.35 -0.10 0.00 0.00 175.22 176.58 1rj5 n PRO 186 N -1.02 0.30 -0.12 0.24 -0.04 -1.26 -4.89 135.00 128.21 1rj5 n PRO 186 Ca 0.02 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1rj5 n PRO 186 Cb 0.54 -2.32 0.32 0.00 -0.04 0.00 0.00 33.50 31.99 1rj5 n PRO 186 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1rj5 h GLN 187 N -0.67 0.80 -4.94 0.54 4.15 -1.93 -3.40 115.11 109.67 1rj5 h GLN 187 Ca -0.47 -0.05 -0.67 0.00 0.77 0.00 0.00 58.65 58.24 1rj5 h GLN 187 Cb 1.31 -0.18 -0.29 0.00 0.21 0.00 0.00 27.48 28.54 1rj5 h GLN 187 CO 0.46 0.53 -0.71 -0.65 -1.93 0.00 0.00 178.83 176.53 1rj5 s GLN 188 N -5.69 3.17 -0.00 1.69 -0.21 -1.26 -5.00 119.66 112.36 1rj5 s GLN 188 Ca -0.10 -0.77 0.21 0.00 0.02 0.00 0.00 55.36 54.72 1rj5 s GLN 188 Cb 0.18 -3.06 0.60 0.00 1.00 0.00 0.00 33.01 31.73 1rj5 s GLN 188 CO 0.76 -0.30 1.50 1.28 -2.12 0.00 0.00 175.29 176.42 1rj5 n LEU 189 N 4.77 3.83 -0.15 2.90 4.77 -1.26 -4.58 117.00 127.29 1rj5 n LEU 189 Ca -0.17 -2.01 -0.08 0.00 -0.03 0.00 0.00 56.01 53.72 1rj5 n LEU 189 Cb 0.49 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1rj5 n LEU 189 CO 0.29 0.95 1.01 -0.33 -1.33 0.00 0.00 177.39 177.98 1rj5 h GLU 190 N 3.97 0.61 -5.62 3.23 3.07 -1.94 -3.42 114.58 114.48 1rj5 h GLU 190 Ca 0.00 -0.06 -0.61 0.00 -0.50 0.00 0.00 59.36 58.18 1rj5 h GLU 190 Cb 0.96 -0.12 -0.11 0.00 -0.84 0.00 0.00 28.75 28.64 1rj5 h GLU 190 CO 0.00 0.47 0.25 -0.65 -1.40 0.00 0.00 179.01 177.69 1rj5 s GLN 190 N -5.92 3.93 0.16 2.33 -0.21 -1.26 -4.71 119.66 113.99 1rj5 s GLN 190 Ca -0.13 0.43 -0.17 0.00 0.02 0.00 0.00 55.36 55.51 1rj5 s GLN 190 Cb 0.11 -3.73 0.03 0.00 1.00 0.00 0.00 33.01 30.42 1rj5 s GLN 190 CO 0.74 -0.61 0.46 -0.59 -2.12 0.00 0.00 175.29 173.17 1rj5 s PHE 191 N 2.75 -0.13 -0.09 0.91 -0.12 -1.26 -0.18 117.98 119.85 1rj5 s PHE 191 Ca 0.28 -0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.98 1rj5 s PHE 191 Cb -0.15 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.54 1rj5 s PHE 191 CO 0.12 -0.81 -0.12 -0.06 -0.05 0.00 0.00 175.22 174.29 1rj5 s PHE 192 N -3.85 2.79 0.07 3.49 0.40 -0.60 -1.21 117.98 119.07 1rj5 s PHE 192 Ca 0.07 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1rj5 s PHE 192 Cb 0.00 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1rj5 s PHE 192 CO -0.07 0.01 -0.21 0.50 0.70 0.00 0.00 175.22 176.15 1rj5 s ARG 193 N -0.18 1.86 -0.16 0.44 3.52 0.73 -1.60 118.95 123.55 1rj5 s ARG 193 Ca 0.00 -1.10 -0.33 0.00 -0.13 0.00 0.00 55.73 54.17 1rj5 s ARG 193 Cb -0.13 -2.09 0.14 0.00 -1.56 0.00 0.00 34.95 31.31 1rj5 s ARG 193 CO 0.03 0.51 1.14 1.52 -0.81 0.00 0.00 175.30 177.69 1rj5 s TYR 194 N -0.97 -0.19 -0.20 5.12 -0.85 -1.09 -1.40 117.35 117.77 1rj5 s TYR 194 Ca 0.15 0.18 -0.26 0.00 -0.52 0.00 0.00 57.07 56.62 1rj5 s TYR 194 Cb -0.10 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.74 1rj5 s TYR 194 CO 0.06 -0.26 0.88 -0.80 -1.52 0.00 0.00 175.55 173.91 1rj5 s ASN 195 N -1.93 6.95 0.00 -0.18 0.01 -1.26 -1.42 114.94 117.12 1rj5 s ASN 195 Ca 0.07 1.18 0.00 0.00 -0.71 0.00 0.00 52.86 53.40 1rj5 s ASN 195 Cb -0.01 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1rj5 s ASN 195 CO -0.05 -0.50 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 1rj5 n GLY 196 N 3.52 5.73 1.63 0.66 0.00 0.04 -4.84 105.19 111.92 1rj5 n GLY 196 Ca 0.07 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1rj5 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rj5 n SER 197 N 0.00 -0.36 -4.81 1.61 3.41 -1.22 -2.96 113.62 109.29 1rj5 n SER 197 Ca 0.00 -2.11 -0.33 0.00 -0.26 0.00 0.00 58.87 56.16 1rj5 n SER 197 Cb 0.00 0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 1rj5 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rj5 s LEU 198 N 0.00 3.81 -0.30 1.04 1.43 -0.17 -4.52 118.68 119.97 1rj5 s LEU 198 Ca 0.20 1.82 0.10 0.00 -1.03 0.00 0.00 54.13 55.23 1rj5 s LEU 198 Cb 0.01 -4.55 0.76 0.00 0.03 0.00 0.00 46.19 42.44 1rj5 s LEU 198 CO 0.14 -0.70 1.78 0.35 0.23 0.00 0.00 176.35 178.15 1rj5 n THR 199 N -1.06 2.86 -3.84 5.49 -2.24 -1.26 -4.52 114.28 109.70 1rj5 n THR 199 Ca 0.08 -1.54 -0.10 0.00 -2.27 0.00 0.00 64.05 60.23 1rj5 n THR 199 Cb 0.53 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 1rj5 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rj5 s THR 200 N -2.89 0.11 0.63 4.28 -4.23 -1.26 -4.66 115.64 107.62 1rj5 s THR 200 Ca 0.54 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.95 1rj5 s THR 200 Cb 0.43 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 73.25 1rj5 s THR 200 CO 0.14 -0.51 1.07 -2.65 -0.54 0.00 0.00 174.62 172.13 1rj5 n PRO 201 N 0.54 0.92 0.00 3.99 -0.02 -1.26 -0.49 135.00 138.68 1rj5 n PRO 201 Ca -0.18 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1rj5 n PRO 201 Cb 0.60 -2.29 0.41 0.00 -0.02 0.00 0.00 33.50 32.19 1rj5 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rj5 n PRO 202 N -1.41 0.26 -2.74 0.52 -0.02 -1.26 -4.97 135.00 125.38 1rj5 n PRO 202 Ca 0.15 0.12 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 1rj5 n PRO 202 Cb 0.48 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1rj5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rj5 n TYR 204 N -3.89 2.18 -2.64 0.00 0.53 -1.26 -4.38 117.16 107.71 1rj5 n TYR 204 Ca -0.05 0.51 -0.41 0.00 -1.02 0.00 0.00 57.90 56.93 1rj5 n TYR 204 Cb 0.56 -2.39 0.01 0.00 -1.03 0.00 0.00 39.34 36.49 1rj5 n TYR 204 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1rj5 n GLN 205 N 0.14 5.06 0.00 -0.72 6.02 -1.26 -1.00 117.38 125.62 1rj5 n GLN 205 Ca 0.06 -4.46 0.00 0.00 -0.01 0.00 0.00 57.00 52.59 1rj5 n GLN 205 Cb 0.39 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.13 1rj5 n GLN 205 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1rj5 n SER 206 N 0.63 0.97 -4.72 1.08 3.41 -1.24 -4.64 113.62 109.11 1rj5 n SER 206 Ca 0.43 -1.00 -0.40 0.00 -0.26 0.00 0.00 58.87 57.64 1rj5 n SER 206 Cb 0.28 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1rj5 n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1rj5 s VAL 207 N -0.01 5.01 -0.75 -3.33 1.01 -1.16 -1.94 120.40 119.24 1rj5 s VAL 207 Ca 0.00 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1rj5 s VAL 207 Cb 0.00 -4.10 0.20 0.00 0.00 0.00 0.00 36.38 32.47 1rj5 s VAL 207 CO 0.00 0.23 0.65 -0.22 0.00 0.00 0.00 175.10 175.77 1rj5 s LEU 208 N 0.84 6.31 0.58 3.92 2.96 -0.72 -0.78 118.68 131.79 1rj5 s LEU 208 Ca 0.41 -2.65 -0.18 0.00 -0.22 0.00 0.00 54.13 51.49 1rj5 s LEU 208 Cb -0.18 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1rj5 s LEU 208 CO 0.20 -0.54 1.11 0.26 -1.32 0.00 0.00 176.35 176.06 1rj5 s TRP 209 N 0.23 2.72 -0.27 5.38 0.52 -0.50 -3.60 118.94 123.41 1rj5 s TRP 209 Ca 0.16 1.55 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 1rj5 s TRP 209 Cb -0.14 -3.20 0.11 0.00 -1.15 0.00 0.00 33.47 29.08 1rj5 s TRP 209 CO -0.07 -1.49 0.19 0.99 0.02 0.00 0.00 176.95 176.59 1rj5 s THR 210 N -2.04 -0.20 -0.39 2.01 2.01 -1.04 -2.69 115.64 113.30 1rj5 s THR 210 Ca 0.69 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1rj5 s THR 210 Cb -0.21 -0.92 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1rj5 s THR 210 CO 0.32 -0.56 0.27 -0.69 -0.69 0.00 0.00 174.62 173.27 1rj5 s VAL 211 N 2.21 5.16 0.62 3.82 1.01 -0.63 -1.05 120.40 131.54 1rj5 s VAL 211 Ca 0.08 -0.57 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 1rj5 s VAL 211 Cb -0.15 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1rj5 s VAL 211 CO -0.31 -0.21 1.23 -0.36 0.00 0.00 0.00 175.10 175.44 1rj5 s PHE 212 N 1.67 2.28 -0.01 5.22 0.40 -0.80 -1.56 117.98 125.18 1rj5 s PHE 212 Ca 0.05 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.76 1rj5 s PHE 212 Cb -0.19 -3.53 -0.33 0.00 0.51 0.00 0.00 43.02 39.48 1rj5 s PHE 212 CO 0.10 -2.42 0.84 -0.97 0.70 0.00 0.00 175.22 173.46 1rj5 h ASN 213 N 0.67 0.73 -4.16 1.36 -1.24 -0.92 -3.44 115.58 108.59 1rj5 h ASN 213 Ca -0.50 -0.93 -0.48 0.00 0.71 0.00 0.00 56.30 55.09 1rj5 h ASN 213 Cb 1.31 -0.24 0.05 0.00 0.73 0.00 0.00 38.32 40.17 1rj5 h ASN 213 CO 0.54 1.74 0.38 -0.13 -1.29 0.00 0.00 177.43 178.67 1rj5 s ARG 214 N -2.58 3.52 0.28 6.67 1.81 -1.26 -5.05 118.95 122.35 1rj5 s ARG 214 Ca -0.13 1.22 0.09 0.00 -1.72 0.00 0.00 55.73 55.19 1rj5 s ARG 214 Cb 0.05 -2.06 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 1rj5 s ARG 214 CO 0.90 -0.65 0.04 1.03 -0.68 0.00 0.00 175.30 175.95 1rj5 s ARG 215 N -3.84 2.34 -0.04 3.54 3.00 -1.26 -4.62 118.95 118.06 1rj5 s ARG 215 Ca 0.64 -1.44 -0.02 0.00 0.00 0.00 0.00 55.73 54.92 1rj5 s ARG 215 Cb -0.15 -2.18 -0.04 0.00 0.00 0.00 0.00 34.95 32.58 1rj5 s ARG 215 CO 0.32 0.30 0.07 0.00 0.00 0.00 0.00 175.30 175.98 1rj5 s ALA 216 N -2.34 3.54 -0.03 2.13 0.00 -0.48 -4.69 121.76 119.89 1rj5 s ALA 216 Ca 0.33 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.54 1rj5 s ALA 216 Cb -0.05 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1rj5 s ALA 216 CO 0.21 0.65 -0.24 -0.65 0.00 0.00 0.00 175.76 175.73 1rj5 s GLN 217 N -1.39 2.26 0.04 0.00 -0.21 -1.26 -0.51 119.66 118.58 1rj5 s GLN 217 Ca 0.19 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1rj5 s GLN 217 Cb -0.12 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.75 1rj5 s GLN 217 CO 0.09 0.54 -0.11 0.96 -2.12 0.00 0.00 175.29 174.65 1rj5 s ILE 218 N -0.55 0.84 0.89 1.08 -4.36 -0.69 -4.48 121.20 113.93 1rj5 s ILE 218 Ca 0.08 -0.92 -0.12 0.00 -0.26 0.00 0.00 60.65 59.43 1rj5 s ILE 218 Cb -0.11 -0.80 0.07 0.00 1.25 0.00 0.00 42.46 42.88 1rj5 s ILE 218 CO 0.00 -0.10 0.80 -1.54 0.24 0.00 0.00 174.94 174.34 1rj5 n SER 219 N 1.90 -0.64 0.24 4.36 3.41 -1.16 -1.53 113.62 120.19 1rj5 n SER 219 Ca -0.19 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 1rj5 n SER 219 Cb 0.55 -1.35 0.58 0.00 -0.26 0.00 0.00 64.21 63.73 1rj5 n SER 219 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1rj5 h MET 220 N -1.42 0.00 -0.49 4.33 4.05 -1.91 -1.80 114.93 117.68 1rj5 h MET 220 Ca -0.44 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.90 1rj5 h MET 220 Cb 1.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.07 1rj5 h MET 220 CO 0.39 0.17 0.00 0.78 0.23 0.00 0.00 176.91 178.48 1rj5 h GLY 221 N 0.66 0.93 1.07 1.39 0.00 -1.93 -2.46 103.07 102.72 1rj5 h GLY 221 Ca -0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1rj5 h GLY 221 CO 0.02 0.63 0.27 1.46 0.00 0.00 0.00 176.54 178.92 1rj5 h GLN 222 N 0.72 1.17 -0.56 4.80 4.20 -1.68 -2.40 115.11 121.36 1rj5 h GLN 222 Ca 0.14 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1rj5 h GLN 222 Cb 0.51 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1rj5 h GLN 222 CO 0.02 0.97 0.12 1.25 -0.67 0.00 0.00 178.83 180.53 1rj5 h LEU 223 N 1.13 0.82 -0.44 1.46 5.85 -1.28 -2.51 115.31 120.33 1rj5 h LEU 223 Ca 0.25 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1rj5 h LEU 223 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1rj5 h LEU 223 CO -0.01 0.81 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.37 1rj5 h GLU 224 N 0.84 0.92 0.03 1.25 5.08 -1.18 -1.58 114.58 119.94 1rj5 h GLU 224 Ca 0.18 -0.40 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1rj5 h GLU 224 Cb 0.33 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1rj5 h GLU 224 CO 0.00 1.05 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.76 1rj5 h LYS 225 N 0.76 -0.15 0.00 2.33 3.64 -1.22 0.22 116.57 122.15 1rj5 h LYS 225 Ca 0.10 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1rj5 h LYS 225 Cb 0.77 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1rj5 h LYS 225 CO 0.06 -0.10 -0.13 1.25 -2.27 0.00 0.00 179.45 178.26 1rj5 h LEU 226 N -0.16 0.00 0.09 5.20 5.85 -1.41 -3.02 115.31 121.87 1rj5 h LEU 226 Ca 0.02 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.46 1rj5 h LEU 226 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1rj5 h LEU 226 CO -0.06 0.13 -1.41 1.56 -0.34 0.00 0.00 178.44 178.32 1rj5 h GLN 227 N 0.00 0.19 -2.23 1.25 4.20 -0.57 -3.40 115.11 114.56 1rj5 h GLN 227 Ca -0.00 -0.33 -0.58 0.00 0.06 0.00 0.00 58.65 57.80 1rj5 h GLN 227 Cb 0.25 0.12 -0.42 0.00 0.30 0.00 0.00 27.48 27.73 1rj5 h GLN 227 CO 0.02 1.06 -0.71 -0.85 -0.67 0.00 0.00 178.83 177.68 1rj5 n GLU 228 N -3.42 2.75 0.00 1.46 0.28 0.73 -4.69 120.64 117.75 1rj5 n GLU 228 Ca -0.12 -4.60 0.00 0.00 -0.16 0.00 0.00 57.16 52.27 1rj5 n GLU 228 Cb 1.02 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1rj5 n GLU 228 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1rj5 n THR 228 N 0.11 0.00 -3.13 3.84 -1.04 -1.17 -4.85 114.28 108.04 1rj5 n THR 228 Ca 0.30 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.99 1rj5 n THR 228 Cb 0.43 -0.20 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 1rj5 n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rj5 s LEU 229 N -4.03 4.03 0.33 -4.42 1.43 -1.26 -4.71 118.68 110.05 1rj5 s LEU 229 Ca 0.00 1.20 0.10 0.00 -1.03 0.00 0.00 54.13 54.39 1rj5 s LEU 229 Cb 0.00 -4.01 -0.06 0.00 0.03 0.00 0.00 46.19 42.15 1rj5 s LEU 229 CO 0.00 -0.22 -0.05 -0.55 0.23 0.00 0.00 176.35 175.76 1rj5 s SER 230 N -2.46 4.01 0.00 2.29 0.15 0.15 -2.02 113.70 115.82 1rj5 s SER 230 Ca 0.53 -1.03 0.22 0.00 0.70 0.00 0.00 55.95 56.37 1rj5 s SER 230 Cb -0.10 -0.48 0.17 0.00 -1.71 0.00 0.00 66.02 63.90 1rj5 s SER 230 CO 0.21 -0.17 1.18 -1.54 1.20 0.00 0.00 173.24 174.12 1rj5 n SER 231 N -0.86 2.80 -4.85 5.45 3.41 -0.63 -3.83 113.62 115.11 1rj5 n SER 231 Ca -0.05 -1.90 -0.22 0.00 -0.26 0.00 0.00 58.87 56.45 1rj5 n SER 231 Cb 0.62 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1rj5 n SER 231 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rj5 s THR 232 N -1.79 4.46 0.18 6.66 -4.23 -1.26 -4.64 115.64 115.02 1rj5 s THR 232 Ca 0.25 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1rj5 s THR 232 Cb 0.18 -3.44 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 1rj5 s THR 232 CO 0.27 -0.33 1.43 -0.33 -0.54 0.00 0.00 174.62 175.12 1rj5 h GLU 233 N 1.42 0.26 -3.94 3.99 3.07 -1.92 0.49 114.58 117.95 1rj5 h GLU 233 Ca -0.49 -0.24 -0.21 0.00 -0.50 0.00 0.00 59.36 57.92 1rj5 h GLU 233 Cb 1.24 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 29.13 1rj5 h GLU 233 CO 0.60 0.92 -0.14 -1.83 -1.40 0.00 0.00 179.01 177.16 1rj5 s GLU 234 N -3.43 1.87 0.63 2.33 -1.05 -1.26 -4.57 118.70 113.22 1rj5 s GLU 234 Ca -0.04 -1.64 -0.15 0.00 -0.15 0.00 0.00 54.97 52.99 1rj5 s GLU 234 Cb 0.11 0.46 -0.01 0.00 -0.44 0.00 0.00 34.13 34.24 1rj5 s GLU 234 CO 0.83 -0.78 1.09 -0.51 0.95 0.00 0.00 175.26 176.83 1rj5 s ASP 236 N -3.18 5.37 0.26 0.83 1.01 -1.26 -4.28 116.67 115.42 1rj5 s ASP 236 Ca 0.28 1.93 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 1rj5 s ASP 236 Cb -0.01 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1rj5 s ASP 236 CO 0.17 -1.45 1.42 -2.84 0.21 0.00 0.00 175.17 172.68 1rj5 s PRO 237 N -4.08 4.28 0.82 8.23 0.02 -1.26 -5.16 135.00 137.85 1rj5 s PRO 237 Ca 0.66 2.28 -0.12 0.00 0.02 0.00 0.00 61.00 63.84 1rj5 s PRO 237 Cb -0.19 -3.11 0.09 0.00 0.02 0.00 0.00 34.50 31.31 1rj5 s PRO 237 CO 0.40 -0.39 1.16 -1.54 -0.33 0.00 0.00 177.00 176.30 1rj5 s SER 238 N 0.27 4.37 -0.19 2.53 1.04 -1.26 -4.91 113.70 115.55 1rj5 s SER 238 Ca 0.58 0.86 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 1rj5 s SER 238 Cb -0.41 -1.39 0.10 0.00 0.10 0.00 0.00 66.02 64.41 1rj5 s SER 238 CO 0.44 -2.00 0.29 -1.61 0.98 0.00 0.00 173.24 171.34 1rj5 s GLU 239 N -5.49 0.23 -0.15 4.02 2.02 -1.26 -5.02 118.70 113.04 1rj5 s GLU 239 Ca 0.62 0.50 -0.37 0.00 0.02 0.00 0.00 54.97 55.75 1rj5 s GLU 239 Cb -0.12 -0.58 -0.17 0.00 0.10 0.00 0.00 34.13 33.36 1rj5 s GLU 239 CO 0.50 -0.52 1.08 -2.30 0.02 0.00 0.00 175.26 174.04 1rj5 n PRO 240 N 5.34 0.00 -3.00 0.39 -0.02 -1.26 -1.61 135.00 134.85 1rj5 n PRO 240 Ca -0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.98 1rj5 n PRO 240 Cb 0.50 -1.29 -0.02 0.00 -0.02 0.00 0.00 33.50 32.66 1rj5 n PRO 240 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rj5 s LEU 241 N 0.88 5.36 0.19 2.45 0.20 -0.86 -4.64 118.68 122.26 1rj5 s LEU 241 Ca 0.82 -2.25 -0.00 0.00 0.69 0.00 0.00 54.13 53.40 1rj5 s LEU 241 Cb -1.16 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 1rj5 s LEU 241 CO 0.56 -0.95 0.08 0.68 -0.29 0.00 0.00 176.35 176.44 1rj5 s VAL 242 N 2.13 0.27 -1.24 1.68 -7.23 -1.26 -4.84 120.40 109.90 1rj5 s VAL 242 Ca 0.31 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.46 1rj5 s VAL 242 Cb -0.06 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1rj5 s VAL 242 CO -0.09 -0.21 0.61 0.00 -0.31 0.00 0.00 175.10 175.11 1rj5 n GLN 243 N -0.26 -4.63 -1.78 4.82 1.13 -1.08 -4.83 117.38 110.74 1rj5 n GLN 243 Ca -0.02 0.73 -0.34 0.00 -1.94 0.00 0.00 57.00 55.44 1rj5 n GLN 243 Cb 0.65 -5.27 -0.01 0.00 0.11 0.00 0.00 30.24 25.71 1rj5 n GLN 243 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1rj5 n ASN 244 N -1.85 7.06 -4.07 1.08 6.94 -1.01 -4.80 115.26 118.61 1rj5 n ASN 244 Ca -0.07 -3.44 -0.18 0.00 -0.02 0.00 0.00 54.58 50.87 1rj5 n ASN 244 Cb 0.59 -1.19 -0.14 0.00 -2.36 0.00 0.00 39.78 36.68 1rj5 n ASN 244 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1rj5 s TYR 245 N -2.62 0.94 0.27 -2.53 -0.85 -1.26 -4.38 117.35 106.91 1rj5 s TYR 245 Ca 0.55 -0.27 -0.15 0.00 -0.52 0.00 0.00 57.07 56.67 1rj5 s TYR 245 Cb 0.36 -0.58 -0.08 0.00 0.38 0.00 0.00 41.96 42.04 1rj5 s TYR 245 CO -0.26 -0.01 0.69 0.50 -1.52 0.00 0.00 175.55 174.95 1rj5 s ARG 246 N -0.72 4.03 0.45 -3.49 3.52 -1.26 -5.04 118.95 116.45 1rj5 s ARG 246 Ca 0.01 0.64 -0.20 0.00 -0.13 0.00 0.00 55.73 56.05 1rj5 s ARG 246 Cb -0.06 -2.62 -0.10 0.00 -1.56 0.00 0.00 34.95 30.61 1rj5 s ARG 246 CO 0.00 0.27 0.96 0.08 -0.81 0.00 0.00 175.30 175.81 1rj5 s VAL 247 N -1.80 4.34 0.28 7.11 1.01 -1.26 -4.59 120.40 125.48 1rj5 s VAL 247 Ca 0.49 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 1rj5 s VAL 247 Cb -0.12 -3.60 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 1rj5 s VAL 247 CO 0.19 -0.36 1.20 -2.65 0.00 0.00 0.00 175.10 173.48 1rj5 n PRO 248 N -0.81 1.70 -3.91 2.72 -0.02 -1.26 -4.36 135.00 129.07 1rj5 n PRO 248 Ca 0.07 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.94 1rj5 n PRO 248 Cb 0.54 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1rj5 n PRO 248 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rj5 s GLN 249 N -1.22 2.92 0.19 -0.52 -1.52 0.29 -4.93 119.66 114.87 1rj5 s GLN 249 Ca 0.62 -1.12 -0.33 0.00 -1.95 0.00 0.00 55.36 52.58 1rj5 s GLN 249 Cb -0.67 -2.59 -0.13 0.00 -0.22 0.00 0.00 33.01 29.40 1rj5 s GLN 249 CO 0.57 0.24 1.58 -2.30 -0.25 0.00 0.00 175.29 175.14 1rj5 n PRO 250 N -1.33 2.29 0.17 2.91 -0.02 -1.26 -4.54 135.00 133.21 1rj5 n PRO 250 Ca -0.05 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1rj5 n PRO 250 Cb 0.59 -2.59 0.25 0.00 -0.02 0.00 0.00 33.50 31.73 1rj5 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rj5 h LEU 251 N 5.75 0.00 -3.44 2.45 5.85 -1.91 -3.42 115.31 120.60 1rj5 h LEU 251 Ca -0.45 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.70 1rj5 h LEU 251 Cb 1.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1rj5 h LEU 251 CO 0.88 0.45 -0.99 0.59 -0.34 0.00 0.00 178.44 179.02 1rj5 n ASN 252 N -3.50 -3.26 -3.76 1.25 3.02 -1.26 -2.22 115.26 105.53 1rj5 n ASN 252 Ca 0.00 -1.25 -0.25 0.00 -0.03 0.00 0.00 54.58 53.05 1rj5 n ASN 252 Cb 0.57 -1.95 0.04 0.00 -0.61 0.00 0.00 39.78 37.83 1rj5 n ASN 252 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rj5 n GLN 253 N -4.84 -5.81 -4.01 3.52 3.00 -1.26 -5.00 117.38 102.98 1rj5 n GLN 253 Ca -0.15 0.66 -0.36 0.00 -0.01 0.00 0.00 57.00 57.14 1rj5 n GLN 253 Cb 0.59 -5.48 -0.07 0.00 0.00 0.00 0.00 30.24 25.29 1rj5 n GLN 253 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1rj5 s ARG 254 N -6.28 3.31 -0.14 -1.09 0.52 -0.94 -5.08 118.95 109.25 1rj5 s ARG 254 Ca 0.39 -0.24 -0.24 0.00 -0.52 0.00 0.00 55.73 55.12 1rj5 s ARG 254 Cb -0.19 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1rj5 s ARG 254 CO 0.80 0.74 0.78 0.99 0.02 0.00 0.00 175.30 178.63 1rj5 s THR 255 N -1.04 4.94 -0.36 0.02 2.01 -1.26 -5.03 115.64 114.93 1rj5 s THR 255 Ca 0.17 1.54 -0.09 0.00 0.31 0.00 0.00 61.69 63.62 1rj5 s THR 255 Cb -0.12 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1rj5 s THR 255 CO 0.06 0.10 0.16 -0.63 -0.69 0.00 0.00 174.62 173.62 1rj5 s ILE 256 N 1.72 4.23 0.44 1.82 1.01 -1.26 -4.71 121.20 124.44 1rj5 s ILE 256 Ca 0.37 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1rj5 s ILE 256 Cb -0.17 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1rj5 s ILE 256 CO 0.14 -0.19 0.73 -0.36 0.00 0.00 0.00 174.94 175.26 1rj5 s PHE 257 N 1.49 3.54 -0.00 3.97 0.40 -0.49 -1.49 117.98 125.40 1rj5 s PHE 257 Ca 0.01 0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 1rj5 s PHE 257 Cb -0.19 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.10 1rj5 s PHE 257 CO 0.05 -0.16 0.01 0.00 0.70 0.00 0.00 175.22 175.82 1rj5 s ALA 258 N -2.59 -0.03 0.05 5.36 0.00 -0.92 -0.19 121.76 123.44 1rj5 s ALA 258 Ca 0.46 0.01 0.33 0.00 0.00 0.00 0.00 51.96 52.76 1rj5 s ALA 258 Cb -0.10 -0.01 1.37 0.00 0.00 0.00 0.00 23.12 24.37 1rj5 s ALA 258 CO 0.41 -0.02 1.97 0.66 0.00 0.00 0.00 175.76 178.78 1rj5 h SER 259 N 6.03 0.00 0.00 0.00 4.64 -1.42 -1.48 113.55 121.32 1rj5 h SER 259 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1rj5 h SER 259 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rj5 h SER 259 CO 0.49 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.67