#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h86 n ASN 3 N 0.00 -0.40 -4.17 -5.58 3.02 -1.26 -5.03 115.26 101.84 3h86 n ASN 3 Ca 0.00 -0.85 -0.35 0.00 -0.03 0.00 0.00 54.58 53.35 3h86 n ASN 3 Cb 0.00 -0.08 -0.14 0.00 -0.61 0.00 0.00 39.78 38.95 3h86 n ASN 3 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3h86 s LYS 4 N -3.21 2.45 -0.30 3.52 2.20 -1.26 -5.01 119.74 118.13 3h86 s LYS 4 Ca 0.06 -1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 54.25 3h86 s LYS 4 Cb -0.00 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.15 3h86 s LYS 4 CO 0.04 -0.60 0.46 0.08 -0.36 0.00 0.00 175.35 174.97 3h86 s VAL 5 N 1.25 5.09 -0.22 4.02 1.01 -1.26 -2.09 120.40 128.19 3h86 s VAL 5 Ca -0.05 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 3h86 s VAL 5 Cb -0.20 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 3h86 s VAL 5 CO -0.02 0.00 -0.04 -0.69 0.00 0.00 0.00 175.10 174.36 3h86 s VAL 6 N 2.24 3.39 -0.09 2.92 1.01 0.15 0.76 120.40 130.78 3h86 s VAL 6 Ca 0.18 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 3h86 s VAL 6 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 3h86 s VAL 6 CO 0.11 0.40 0.41 -0.69 0.00 0.00 0.00 175.10 175.34 3h86 s VAL 7 N 1.48 5.16 -0.13 2.92 1.01 -0.55 -0.38 120.40 129.91 3h86 s VAL 7 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3h86 s VAL 7 Cb -0.14 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3h86 s VAL 7 CO -0.03 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 3h86 s VAL 8 N 0.02 2.90 0.30 2.92 1.01 0.11 -0.44 120.40 127.23 3h86 s VAL 8 Ca 0.23 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3h86 s VAL 8 Cb -0.15 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3h86 s VAL 8 CO 0.10 0.53 0.12 0.42 0.00 0.00 0.00 175.10 176.27 3h86 s THR 9 N 0.36 0.57 0.00 3.92 -4.23 0.61 0.27 115.64 117.15 3h86 s THR 9 Ca -0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3h86 s THR 9 Cb -0.16 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3h86 s THR 9 CO 0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 3h86 n GLY 10 N -0.59 4.17 3.79 3.99 0.00 -1.26 -2.00 105.19 113.29 3h86 n GLY 10 Ca -0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3h86 n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h86 s VAL 11 N -0.67 3.60 -0.10 1.61 -7.23 -1.26 -4.83 120.40 111.52 3h86 s VAL 11 Ca 0.00 0.78 -0.37 0.00 -1.81 0.00 0.00 61.98 60.58 3h86 s VAL 11 Cb 0.00 -3.30 -0.15 0.00 0.56 0.00 0.00 36.38 33.50 3h86 s VAL 11 CO 0.00 -0.43 1.67 -2.65 -0.31 0.00 0.00 175.10 173.39 3h86 n PRO 12 N -2.05 1.54 -0.15 4.82 -0.02 -1.26 -2.05 135.00 135.84 3h86 n PRO 12 Ca 0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3h86 n PRO 12 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3h86 n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h86 n GLY 13 N 3.79 0.92 0.00 -1.23 0.00 -1.26 -4.90 105.19 102.51 3h86 n GLY 13 Ca 0.23 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.20 3h86 n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3h86 n VAL 14 N -2.15 0.00 0.00 1.61 3.14 -0.87 -4.63 118.33 115.44 3h86 n VAL 14 Ca 0.00 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 3h86 n VAL 14 Cb 0.00 0.86 0.00 0.00 -1.06 0.00 0.00 33.84 33.64 3h86 n VAL 14 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3h86 n GLY 15 N 1.38 0.81 0.17 7.55 0.00 -1.26 -4.79 105.19 109.04 3h86 n GLY 15 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3h86 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h86 n GLY 16 N -0.83 -2.86 0.18 -0.02 0.00 -1.26 -1.46 105.19 98.93 3h86 n GLY 16 Ca 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 46.02 46.80 3h86 n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h86 h THR 17 N 0.00 0.60 0.00 2.61 2.02 -1.96 -2.85 112.91 113.33 3h86 h THR 17 Ca 0.06 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 3h86 h THR 17 Cb 0.17 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3h86 h THR 17 CO -0.38 0.01 -0.16 0.71 0.37 0.00 0.00 175.52 176.07 3h86 h THR 18 N 0.04 0.54 0.11 3.16 1.35 -1.70 -2.34 112.91 114.07 3h86 h THR 18 Ca 0.21 -0.77 -0.31 0.00 -0.55 0.00 0.00 66.41 65.00 3h86 h THR 18 Cb 0.32 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3h86 h THR 18 CO -0.41 0.16 -1.60 0.58 -0.25 0.00 0.00 175.52 173.99 3h86 h VAL 19 N 0.00 1.07 -0.06 6.82 2.07 -1.03 -3.15 116.25 121.97 3h86 h VAL 19 Ca -0.00 -2.73 -0.02 0.00 0.82 0.00 0.00 66.70 64.77 3h86 h VAL 19 Cb 0.50 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3h86 h VAL 19 CO 0.02 0.80 -0.04 0.74 0.02 0.00 0.00 177.57 179.11 3h86 h THR 20 N 0.06 1.34 0.16 2.57 2.02 -1.40 -2.68 112.91 114.98 3h86 h THR 20 Ca -0.27 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 65.84 3h86 h THR 20 Cb 2.02 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 70.35 3h86 h THR 20 CO 0.15 0.30 -0.27 0.06 0.37 0.00 0.00 175.52 176.13 3h86 h GLN 21 N -0.28 -0.48 -0.04 6.66 3.07 -1.55 -0.25 115.11 122.23 3h86 h GLN 21 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 58.65 58.77 3h86 h GLN 21 Cb 0.50 0.11 -0.00 0.00 0.08 0.00 0.00 27.48 28.16 3h86 h GLN 21 CO 0.01 -0.32 -0.06 0.87 0.09 0.00 0.00 178.83 179.42 3h86 h LYS 22 N -0.50 0.06 -0.49 0.06 1.57 -1.66 0.21 116.57 115.82 3h86 h LYS 22 Ca 0.02 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3h86 h LYS 22 Cb 0.51 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3h86 h LYS 22 CO -0.13 0.13 0.25 0.00 -0.57 0.00 0.00 179.45 179.13 3h86 h ALA 23 N 1.88 0.63 0.00 3.86 0.00 -1.02 -2.97 119.26 121.64 3h86 h ALA 23 Ca 0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 3h86 h ALA 23 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h86 h ALA 23 CO 0.01 0.18 -0.71 0.52 0.00 0.00 0.00 179.25 179.24 3h86 h MET 24 N 0.65 0.00 -0.08 0.00 2.86 0.75 -1.95 114.93 117.16 3h86 h MET 24 Ca 0.17 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 3h86 h MET 24 Cb 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.75 3h86 h MET 24 CO -0.02 0.71 0.20 -0.44 1.06 0.00 0.00 176.91 178.42 3h86 h ASP 25 N 0.00 0.00 0.00 1.22 3.32 -0.55 0.50 116.42 120.91 3h86 h ASP 25 Ca -0.01 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.66 3h86 h ASP 25 Cb 1.51 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 3h86 h ASP 25 CO 0.09 0.00 -2.44 -0.38 -1.72 0.00 0.00 179.24 174.79 3h86 n ILE 26 N -3.28 1.47 0.05 0.35 5.41 -0.80 -4.42 119.36 118.14 3h86 n ILE 26 Ca -0.01 -0.65 -0.15 0.00 1.00 0.00 0.00 62.75 62.94 3h86 n ILE 26 Cb 0.28 -1.18 -0.14 0.00 -0.71 0.00 0.00 39.64 37.89 3h86 n ILE 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h86 h LEU 27 N 0.00 0.31 -0.88 1.39 3.38 -1.13 -3.17 115.31 115.22 3h86 h LEU 27 Ca -0.57 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.10 3h86 h LEU 27 Cb 1.99 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 42.48 3h86 h LEU 27 CO -0.06 1.39 -0.29 0.77 0.09 0.00 0.00 178.44 180.35 3h86 h SER 28 N 0.05 -1.07 0.86 -0.43 4.64 -0.78 -2.03 113.55 114.80 3h86 h SER 28 Ca -0.25 0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 3h86 h SER 28 Cb 2.00 0.62 0.01 0.00 -0.31 0.00 0.00 62.40 64.72 3h86 h SER 28 CO 0.14 -0.30 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.06 3h86 h GLU 29 N -0.03 -1.11 0.00 4.77 5.08 -1.77 -3.09 114.58 118.44 3h86 h GLU 29 Ca 0.37 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3h86 h GLU 29 Cb 0.62 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3h86 h GLU 29 CO -0.90 -0.74 0.02 -0.85 -1.00 0.00 0.00 179.01 175.53 3h86 n GLU 30 N -5.33 0.00 0.00 2.33 0.28 -0.79 -4.72 120.64 112.40 3h86 n GLU 30 Ca -0.14 0.06 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3h86 n GLU 30 Cb 0.45 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.81 3h86 n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h86 n GLY 31 N -0.96 2.21 3.69 -1.84 0.00 -1.02 -5.08 105.19 102.19 3h86 n GLY 31 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h86 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h86 s LEU 32 N 0.00 4.28 -0.72 0.99 1.43 -1.12 -4.99 118.68 118.55 3h86 s LEU 32 Ca 0.00 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3h86 s LEU 32 Cb 0.00 -3.44 0.29 0.00 0.03 0.00 0.00 46.19 43.07 3h86 s LEU 32 CO 0.00 -0.34 1.02 0.59 0.23 0.00 0.00 176.35 177.84 3h86 n ASN 33 N 4.59 4.72 -4.58 2.29 4.13 -1.26 -2.92 115.26 122.22 3h86 n ASN 33 Ca 0.06 -3.54 -0.43 0.00 1.68 0.00 0.00 54.58 52.35 3h86 n ASN 33 Cb 0.50 -0.77 -0.00 0.00 -1.54 0.00 0.00 39.78 37.96 3h86 n ASN 33 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3h86 n TYR 34 N 0.50 1.02 -4.40 3.10 4.02 -1.26 -4.52 117.16 115.63 3h86 n TYR 34 Ca 0.31 0.63 -0.34 0.00 -0.01 0.00 0.00 57.90 58.50 3h86 n TYR 34 Cb 0.38 -2.21 -0.13 0.00 -0.02 0.00 0.00 39.34 37.36 3h86 n TYR 34 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3h86 s LYS 35 N -1.74 3.58 0.32 -0.72 2.20 -0.62 -4.94 119.74 117.83 3h86 s LYS 35 Ca 0.61 -0.56 -0.28 0.00 -0.36 0.00 0.00 55.97 55.37 3h86 s LYS 35 Cb -0.63 -2.88 -0.10 0.00 -1.51 0.00 0.00 37.83 32.71 3h86 s LYS 35 CO 0.59 0.17 1.16 -1.64 -0.36 0.00 0.00 175.35 175.27 3h86 s MET 36 N 0.52 4.44 -0.01 4.03 -1.94 -1.26 -2.58 119.30 122.50 3h86 s MET 36 Ca -0.04 1.90 0.01 0.00 -1.71 0.00 0.00 55.69 55.85 3h86 s MET 36 Cb -0.15 -3.04 0.00 0.00 2.01 0.00 0.00 34.83 33.66 3h86 s MET 36 CO 0.03 0.00 -0.03 0.08 -0.01 0.00 0.00 175.02 175.09 3h86 s VAL 37 N -1.23 0.24 -0.73 -6.03 1.01 -1.00 -4.92 120.40 107.75 3h86 s VAL 37 Ca 0.48 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 3h86 s VAL 37 Cb -0.33 -0.23 0.19 0.00 0.00 0.00 0.00 36.38 36.01 3h86 s VAL 37 CO 0.43 0.09 0.64 0.21 0.00 0.00 0.00 175.10 176.46 3h86 s ASN 38 N 0.13 6.31 0.57 3.32 3.84 -1.26 0.85 114.94 128.70 3h86 s ASN 38 Ca -0.01 -2.56 0.42 0.00 0.21 0.00 0.00 52.86 50.92 3h86 s ASN 38 Cb -0.04 -2.12 1.49 0.00 -0.55 0.00 0.00 41.25 40.03 3h86 s ASN 38 CO -0.00 -0.57 1.54 0.15 -2.79 0.00 0.00 177.10 175.42 3h86 h PHE 39 N 7.81 0.00 0.08 0.43 3.04 -1.61 0.29 116.94 126.98 3h86 h PHE 39 Ca 0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 3h86 h PHE 39 Cb 1.03 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.54 3h86 h PHE 39 CO 0.91 0.00 -0.04 0.78 -2.02 0.00 0.00 178.31 177.94 3h86 h GLY 40 N 0.00 -0.12 0.85 2.40 0.00 -1.92 -2.56 103.07 101.72 3h86 h GLY 40 Ca 0.75 0.04 0.10 0.00 0.00 0.00 0.00 47.33 48.22 3h86 h GLY 40 CO -0.01 -0.04 0.51 1.76 0.00 0.00 0.00 176.54 178.76 3h86 h SER 41 N -0.59 0.64 0.00 0.19 0.02 -0.84 -0.37 113.55 112.60 3h86 h SER 41 Ca -0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h86 h SER 41 Cb 0.49 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3h86 h SER 41 CO 0.02 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.09 3h86 n ALA 42 N -2.45 -0.06 0.00 3.77 0.00 -0.93 -1.54 120.51 119.30 3h86 n ALA 42 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3h86 n ALA 42 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3h86 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h86 n MET 43 N -0.99 0.00 -0.03 0.00 0.00 -0.95 -0.18 117.12 114.96 3h86 n MET 43 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 57.70 57.53 3h86 n MET 43 Cb 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 31.58 3h86 n MET 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h86 n PHE 44 N -1.02 0.98 -0.36 3.17 7.35 -0.19 -2.28 117.46 125.12 3h86 n PHE 44 Ca 0.00 0.22 0.32 0.00 -0.76 0.00 0.00 57.45 57.23 3h86 n PHE 44 Cb 0.00 -1.13 0.67 0.00 0.35 0.00 0.00 39.48 39.37 3h86 n PHE 44 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3h86 h ASP 45 N -0.01 0.17 0.76 -2.13 5.19 0.50 0.22 116.42 121.12 3h86 h ASP 45 Ca -0.46 0.04 -0.25 0.00 -0.62 0.00 0.00 57.03 55.75 3h86 h ASP 45 Cb 1.97 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.49 3h86 h ASP 45 CO 0.03 0.01 -1.15 0.58 -3.12 0.00 0.00 179.24 175.59 3h86 h VAL 46 N 0.14 1.58 0.07 -1.35 2.07 -1.51 -3.21 116.25 114.04 3h86 h VAL 46 Ca 0.62 -3.18 -0.25 0.00 0.82 0.00 0.00 66.70 64.71 3h86 h VAL 46 Cb 2.13 2.90 0.01 0.00 -1.52 0.00 0.00 31.29 34.81 3h86 h VAL 46 CO -0.15 0.92 -1.10 0.00 0.02 0.00 0.00 177.57 177.26 3h86 h ALA 47 N 0.73 0.22 0.00 1.67 0.00 -0.17 -2.91 119.26 118.80 3h86 h ALA 47 Ca -0.09 -0.80 -0.11 0.00 0.00 0.00 0.00 54.91 53.92 3h86 h ALA 47 Cb 1.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3h86 h ALA 47 CO 0.18 0.88 -1.33 0.09 0.00 0.00 0.00 179.25 179.06 3h86 n ASN 48 N -3.65 0.78 -0.07 0.00 4.13 -0.60 -0.46 115.26 115.40 3h86 n ASN 48 Ca -0.08 0.33 0.21 0.00 1.68 0.00 0.00 54.58 56.72 3h86 n ASN 48 Cb 0.93 0.39 0.65 0.00 -1.54 0.00 0.00 39.78 40.22 3h86 n ASN 48 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 3h86 h GLU 49 N 0.00 0.09 -0.52 3.52 4.22 -1.64 -1.37 114.58 118.88 3h86 h GLU 49 Ca -0.11 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.33 3h86 h GLU 49 Cb 1.37 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3h86 h GLU 49 CO 0.03 0.06 0.00 0.39 -2.18 0.00 0.00 179.01 177.31 3h86 n GLU 50 N -4.38 2.95 -4.37 1.92 1.02 -0.96 -5.02 120.64 111.79 3h86 n GLU 50 Ca 0.12 -2.44 -0.37 0.00 -0.02 0.00 0.00 57.16 54.45 3h86 n GLU 50 Cb 0.66 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.51 3h86 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h86 n GLY 51 N 0.93 -0.34 0.09 0.62 0.00 0.39 -4.87 105.19 102.02 3h86 n GLY 51 Ca 0.19 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 3h86 n GLY 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h86 n LEU 52 N -4.28 0.56 -3.69 0.99 4.77 -0.34 -4.82 117.00 110.18 3h86 n LEU 52 Ca -0.02 0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.85 3h86 n LEU 52 Cb 0.53 0.26 -0.16 0.00 -2.33 0.00 0.00 43.42 41.72 3h86 n LEU 52 CO 0.90 0.48 -0.35 0.00 -1.33 0.00 0.00 177.39 177.09 3h86 s ALA 53 N -2.54 1.00 0.20 -1.18 0.00 -1.26 -5.00 121.76 113.00 3h86 s ALA 53 Ca -0.09 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.75 3h86 s ALA 53 Cb 0.07 -1.29 0.17 0.00 0.00 0.00 0.00 23.12 22.07 3h86 s ALA 53 CO 0.82 -1.35 1.57 0.77 0.00 0.00 0.00 175.76 177.57 3h86 h SER 54 N 8.25 -1.24 -2.51 0.00 0.02 -1.92 -3.38 113.55 112.76 3h86 h SER 54 Ca -0.16 0.26 -0.57 0.00 -0.84 0.00 0.00 61.79 60.47 3h86 h SER 54 Cb 1.08 0.64 -0.13 0.00 0.14 0.00 0.00 62.40 64.13 3h86 h SER 54 CO 0.38 -0.30 -0.53 1.51 -1.14 0.00 0.00 176.83 176.75 3h86 s ASP 55 N -5.24 3.05 0.35 3.07 -4.77 -1.26 -5.00 116.67 106.87 3h86 s ASP 55 Ca -0.14 -1.61 0.18 0.00 -3.30 0.00 0.00 52.55 47.68 3h86 s ASP 55 Cb 0.18 0.38 0.49 0.00 -1.09 0.00 0.00 42.92 42.88 3h86 s ASP 55 CO 0.70 -0.85 1.64 0.08 0.70 0.00 0.00 175.17 177.44 3h86 h ARG 56 N 1.75 0.00 -0.63 2.11 0.11 -2.00 -2.96 114.38 112.76 3h86 h ARG 56 Ca -0.38 0.00 0.12 0.00 0.10 0.00 0.00 59.98 59.82 3h86 h ARG 56 Cb 1.28 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.27 3h86 h ARG 56 CO 0.63 0.39 0.16 -0.44 0.10 0.00 0.00 179.97 180.82 3h86 h ASP 57 N 0.00 0.06 0.29 0.08 3.45 -1.97 -2.10 116.42 116.22 3h86 h ASP 57 Ca -0.00 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3h86 h ASP 57 Cb 1.06 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3h86 h ASP 57 CO 0.05 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 177.75 3h86 n GLN 58 N -5.10 0.29 0.00 3.56 6.02 -1.12 -3.32 117.38 117.71 3h86 n GLN 58 Ca 0.10 0.10 -0.18 0.00 -0.01 0.00 0.00 57.00 57.01 3h86 n GLN 58 Cb 0.34 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 3h86 n GLN 58 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3h86 h MET 59 N 0.00 0.61 -0.07 -1.09 2.86 -1.54 -2.79 114.93 112.92 3h86 h MET 59 Ca 0.00 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 3h86 h MET 59 Cb 0.14 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.95 3h86 h MET 59 CO 0.00 1.20 0.00 2.89 1.06 0.00 0.00 176.91 182.06 3h86 n ARG 60 N -4.04 1.36 -0.06 1.72 1.85 -1.21 -1.96 116.66 114.32 3h86 n ARG 60 Ca -0.10 -0.53 -0.13 0.00 -1.00 0.00 0.00 57.85 56.09 3h86 n ARG 60 Cb 0.74 -1.37 -0.14 0.00 -1.05 0.00 0.00 32.46 30.64 3h86 n ARG 60 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3h86 n LYS 61 N -0.27 0.68 -1.21 2.89 4.76 -1.17 -4.52 118.16 119.31 3h86 n LYS 61 Ca 0.16 0.16 -0.37 0.00 -2.87 0.00 0.00 58.31 55.39 3h86 n LYS 61 Cb 0.20 -1.64 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3h86 n LYS 61 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h86 n LEU 62 N -3.05 -2.64 -4.57 -0.35 4.77 -0.83 -4.77 117.00 105.56 3h86 n LEU 62 Ca -0.30 0.54 -0.37 0.00 -0.03 0.00 0.00 56.01 55.85 3h86 n LEU 62 Cb 1.08 -0.95 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3h86 n LEU 62 CO 0.41 -4.48 0.38 -0.90 -1.33 0.00 0.00 177.39 171.47 3h86 n ASP 63 N 1.80 0.12 -0.29 -1.43 3.85 -1.26 -4.62 116.55 114.72 3h86 n ASP 63 Ca 0.07 0.75 0.14 0.00 -0.71 0.00 0.00 54.79 55.04 3h86 n ASP 63 Cb 0.50 -1.32 0.39 0.00 -1.35 0.00 0.00 41.12 39.34 3h86 n ASP 63 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 3h86 h PRO 64 N 0.25 0.62 0.48 0.11 0.11 -1.96 -0.64 132.00 130.98 3h86 h PRO 64 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3h86 h PRO 64 Cb 1.37 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3h86 h PRO 64 CO 0.49 0.41 -0.46 0.93 -0.21 0.00 0.00 178.00 179.16 3h86 h GLU 65 N 0.64 -0.89 -0.28 1.05 5.08 -1.98 0.48 114.58 118.67 3h86 h GLU 65 Ca 0.50 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.95 3h86 h GLU 65 Cb 0.91 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3h86 h GLU 65 CO -0.25 -0.59 -0.17 2.41 -1.00 0.00 0.00 179.01 179.40 3h86 n THR 66 N -5.21 -0.19 -0.30 1.13 -1.04 -1.10 -0.29 114.28 107.28 3h86 n THR 66 Ca -0.11 1.72 0.13 0.00 -2.04 0.00 0.00 64.05 63.75 3h86 n THR 66 Cb 0.42 -2.23 0.29 0.00 -1.82 0.00 0.00 70.33 66.99 3h86 n THR 66 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3h86 h GLN 67 N 0.00 0.17 -0.24 -2.82 4.20 -0.57 0.27 115.11 116.12 3h86 h GLN 67 Ca 0.05 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3h86 h GLN 67 Cb 0.12 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3h86 h GLN 67 CO -0.27 0.11 -0.33 0.87 -0.67 0.00 0.00 178.83 178.55 3h86 h LYS 68 N 0.18 0.50 0.27 1.46 1.57 0.11 0.51 116.57 121.17 3h86 h LYS 68 Ca 0.56 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3h86 h LYS 68 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3h86 h LYS 68 CO -0.68 0.77 -0.13 -0.09 -0.57 0.00 0.00 179.45 178.75 3h86 h ARG 69 N 0.43 -0.35 -1.51 3.15 2.43 0.26 0.58 114.38 119.37 3h86 h ARG 69 Ca 0.05 0.02 0.50 0.00 -0.81 0.00 0.00 59.98 59.74 3h86 h ARG 69 Cb 0.78 0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.29 3h86 h ARG 69 CO 0.06 -0.23 1.01 -0.89 -1.51 0.00 0.00 179.97 178.41 3h86 n ILE 70 N -4.34 -0.19 0.00 1.20 2.08 -0.06 -0.40 119.36 117.66 3h86 n ILE 70 Ca -0.04 1.70 -0.12 0.00 0.56 0.00 0.00 62.75 64.84 3h86 n ILE 70 Cb 0.14 -2.80 -0.10 0.00 -0.75 0.00 0.00 39.64 36.14 3h86 n ILE 70 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 3h86 h GLN 71 N 0.00 -0.08 -0.59 0.38 4.15 -0.81 -2.48 115.11 115.68 3h86 h GLN 71 Ca 0.88 0.01 0.10 0.00 0.77 0.00 0.00 58.65 60.41 3h86 h GLN 71 Cb 3.04 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 30.67 3h86 h GLN 71 CO -0.35 0.48 0.19 -0.22 -1.93 0.00 0.00 178.83 177.00 3h86 h LYS 72 N -0.72 0.34 -0.03 1.69 3.64 0.17 -0.92 116.57 120.74 3h86 h LYS 72 Ca -0.01 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3h86 h LYS 72 Cb 0.59 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3h86 h LYS 72 CO 0.01 0.23 -0.05 0.52 -2.27 0.00 0.00 179.45 177.89 3h86 h MET 73 N 0.35 -0.08 0.00 1.90 2.86 -1.37 -2.54 114.93 116.05 3h86 h MET 73 Ca 0.30 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 3h86 h MET 73 Cb 0.40 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3h86 h MET 73 CO -0.33 -0.05 -0.06 0.00 1.06 0.00 0.00 176.91 177.53 3h86 h ALA 74 N 0.94 1.58 0.17 6.32 0.00 -0.71 -0.56 119.26 126.99 3h86 h ALA 74 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h86 h ALA 74 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h86 h ALA 74 CO -0.08 0.07 -0.08 0.78 0.00 0.00 0.00 179.25 179.94 3h86 h GLY 75 N 0.28 -0.24 2.00 0.00 0.00 -0.90 -2.76 103.07 101.45 3h86 h GLY 75 Ca -0.00 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3h86 h GLY 75 CO 0.01 -0.09 -0.01 0.07 0.00 0.00 0.00 176.54 176.52 3h86 h ARG 76 N -0.52 0.00 0.05 4.80 0.11 -0.79 0.12 114.38 118.14 3h86 h ARG 76 Ca -0.02 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.83 3h86 h ARG 76 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 3h86 h ARG 76 CO 0.04 0.01 -1.04 0.87 0.10 0.00 0.00 179.97 179.95 3h86 h LYS 77 N 0.00 0.22 0.14 0.08 1.79 -1.26 -2.18 116.57 115.36 3h86 h LYS 77 Ca -0.00 -0.31 -0.30 0.00 -2.18 0.00 0.00 60.65 57.87 3h86 h LYS 77 Cb 0.13 0.10 0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3h86 h LYS 77 CO 0.00 1.08 -1.24 0.82 -1.08 0.00 0.00 179.45 179.03 3h86 h ILE 78 N 0.10 1.30 -0.90 1.86 2.04 -1.16 -3.05 117.51 117.69 3h86 h ILE 78 Ca -0.08 -2.48 0.16 0.00 1.00 0.00 0.00 64.86 63.46 3h86 h ILE 78 Cb 1.72 2.77 -0.07 0.00 -0.74 0.00 0.00 36.82 40.51 3h86 h ILE 78 CO 0.16 0.75 0.58 0.00 0.00 0.00 0.00 178.15 179.65 3h86 h ALA 79 N 0.25 1.88 -0.30 1.87 0.00 -0.72 -1.38 119.26 120.86 3h86 h ALA 79 Ca -0.19 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 3h86 h ALA 79 Cb 1.92 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.61 3h86 h ALA 79 CO 0.24 -0.14 -0.51 0.93 0.00 0.00 0.00 179.25 179.76 3h86 h GLU 80 N 0.65 0.86 -0.97 0.00 5.08 -1.43 -2.46 114.58 116.31 3h86 h GLU 80 Ca 0.46 -0.52 0.13 0.00 -1.00 0.00 0.00 59.36 58.43 3h86 h GLU 80 Cb 0.81 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.03 3h86 h GLU 80 CO -0.22 1.16 0.62 1.98 -1.00 0.00 0.00 179.01 181.55 3h86 h MET 81 N 0.67 0.89 0.00 2.33 4.05 -1.18 -2.49 114.93 119.20 3h86 h MET 81 Ca 0.02 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 3h86 h MET 81 Cb 1.11 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3h86 h MET 81 CO 0.11 0.59 -0.04 0.00 0.23 0.00 0.00 176.91 177.81 3h86 h ALA 82 N 1.56 1.74 -0.54 0.39 0.00 -0.79 0.92 119.26 122.54 3h86 h ALA 82 Ca 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.31 3h86 h ALA 82 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3h86 h ALA 82 CO -0.25 0.04 0.13 0.87 0.00 0.00 0.00 179.25 180.04 3h86 h LYS 83 N 0.00 0.82 0.00 0.00 1.57 -1.49 -3.12 116.57 114.35 3h86 h LYS 83 Ca -0.00 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 3h86 h LYS 83 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3h86 h LYS 83 CO 0.00 0.74 -0.77 0.93 -0.57 0.00 0.00 179.45 179.78 3h86 h GLU 84 N 0.79 0.00 -1.87 3.15 4.39 -0.94 -3.46 114.58 116.64 3h86 h GLU 84 Ca 0.17 0.00 0.20 0.00 0.34 0.00 0.00 59.36 60.08 3h86 h GLU 84 Cb 0.29 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.78 3h86 h GLU 84 CO -0.00 0.73 0.66 -1.54 -1.16 0.00 0.00 179.01 177.69 3h86 s SER 85 N -6.55 -0.22 0.18 1.42 1.04 -1.10 -5.15 113.70 103.32 3h86 s SER 85 Ca 0.02 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 3h86 s SER 85 Cb 0.09 0.27 -0.08 0.00 0.10 0.00 0.00 66.02 66.41 3h86 s SER 85 CO 0.78 -0.46 1.09 -2.84 0.98 0.00 0.00 173.24 172.79 3h86 s PRO 86 N -2.78 4.60 0.03 4.02 0.02 -1.26 -4.30 135.00 135.34 3h86 s PRO 86 Ca 0.09 1.70 0.05 0.00 0.02 0.00 0.00 61.00 62.86 3h86 s PRO 86 Cb -0.00 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 3h86 s PRO 86 CO -0.05 0.09 -0.11 0.08 -0.33 0.00 0.00 177.00 176.68 3h86 s VAL 87 N -0.28 3.34 -0.48 3.83 1.01 -0.89 -1.59 120.40 125.34 3h86 s VAL 87 Ca 0.49 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3h86 s VAL 87 Cb -0.29 -2.46 0.13 0.00 0.00 0.00 0.00 36.38 33.75 3h86 s VAL 87 CO 0.35 0.32 0.22 0.00 0.00 0.00 0.00 175.10 175.99 3h86 s ALA 88 N -1.02 3.10 -0.17 5.51 0.00 -1.07 0.31 121.76 128.41 3h86 s ALA 88 Ca 0.17 -3.07 -0.27 0.00 0.00 0.00 0.00 51.96 48.79 3h86 s ALA 88 Cb -0.11 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 3h86 s ALA 88 CO 0.08 -1.97 0.94 0.08 0.00 0.00 0.00 175.76 174.89 3h86 s VAL 89 N -0.02 4.79 -0.30 0.00 1.01 0.49 -2.37 120.40 124.00 3h86 s VAL 89 Ca 0.16 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.89 3h86 s VAL 89 Cb -0.25 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3h86 s VAL 89 CO -0.02 -0.04 0.16 -0.62 0.00 0.00 0.00 175.10 174.58 3h86 s ASP 90 N 1.17 5.67 0.00 3.32 -1.08 0.25 0.09 116.67 126.09 3h86 s ASP 90 Ca 0.42 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 3h86 s ASP 90 Cb -0.16 -2.04 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 3h86 s ASP 90 CO 0.12 -0.16 0.00 1.07 0.52 0.00 0.00 175.17 176.72 3h86 n THR 91 N 5.01 0.00 -4.15 1.71 5.66 0.14 -1.45 114.28 121.20 3h86 n THR 91 Ca -0.14 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.70 3h86 n THR 91 Cb 0.50 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.16 3h86 n THR 91 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3h86 s HIS 92 N -0.36 0.83 -0.01 1.09 3.76 -1.26 -4.02 115.29 115.32 3h86 s HIS 92 Ca 0.00 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.28 3h86 s HIS 92 Cb 0.00 -0.49 -0.20 0.00 1.11 0.00 0.00 32.58 33.00 3h86 s HIS 92 CO 0.00 -0.03 1.17 1.03 -0.85 0.00 0.00 174.74 176.07 3h86 h SER 93 N 4.77 0.29 -5.01 1.40 0.87 -1.91 -3.37 113.55 110.59 3h86 h SER 93 Ca -0.36 -0.64 -0.16 0.00 -1.23 0.00 0.00 61.79 59.40 3h86 h SER 93 Cb 1.19 -0.08 -0.20 0.00 -0.44 0.00 0.00 62.40 62.87 3h86 h SER 93 CO 0.43 0.88 -0.66 0.42 -0.53 0.00 0.00 176.83 177.36 3h86 s THR 94 N -3.68 0.12 -0.22 2.23 -4.23 -1.26 -1.21 115.64 107.39 3h86 s THR 94 Ca -0.15 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.31 3h86 s THR 94 Cb 0.03 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 3h86 s THR 94 CO 0.75 -0.54 0.07 -0.69 -0.54 0.00 0.00 174.62 173.67 3h86 s VAL 95 N -1.75 4.54 -0.27 2.29 1.01 -0.65 -4.82 120.40 120.76 3h86 s VAL 95 Ca -0.13 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3h86 s VAL 95 Cb -0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3h86 s VAL 95 CO -0.02 0.39 2.13 -0.54 0.00 0.00 0.00 175.10 177.06 3h86 s LYS 96 N 1.03 3.09 0.22 2.72 1.02 -1.26 -2.18 119.74 124.38 3h86 s LYS 96 Ca 0.04 1.81 0.08 0.00 0.02 0.00 0.00 55.97 57.92 3h86 s LYS 96 Cb -0.14 -4.35 -0.05 0.00 -0.52 0.00 0.00 37.83 32.77 3h86 s LYS 96 CO 0.03 -2.15 -0.15 0.95 -0.92 0.00 0.00 175.35 173.11 3h86 s THR 97 N 8.29 1.86 -1.05 2.17 -4.23 -0.10 -5.01 115.64 117.57 3h86 s THR 97 Ca 0.95 -2.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 3h86 s THR 97 Cb -0.29 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3h86 s THR 97 CO 0.34 -0.56 0.85 -2.65 -0.54 0.00 0.00 174.62 172.06 3h86 n PRO 98 N -0.42 0.00 -0.07 3.99 -0.02 -1.26 -0.04 135.00 137.17 3h86 n PRO 98 Ca -0.07 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3h86 n PRO 98 Cb 0.60 -1.55 0.10 0.00 -0.02 0.00 0.00 33.50 32.64 3h86 n PRO 98 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h86 n LYS 99 N -1.35 1.58 0.00 -0.52 4.76 -1.26 -5.08 118.16 116.29 3h86 n LYS 99 Ca 0.00 -1.63 0.00 0.00 -2.87 0.00 0.00 58.31 53.81 3h86 n LYS 99 Cb 0.05 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3h86 n LYS 99 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h86 n GLY 100 N 0.82 -0.39 3.73 0.72 0.00 0.94 -5.01 105.19 106.00 3h86 n GLY 100 Ca 0.11 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3h86 n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h86 s TYR 101 N 0.00 3.71 -0.16 1.61 2.02 -1.26 -0.92 117.35 122.35 3h86 s TYR 101 Ca 0.00 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.20 3h86 s TYR 101 Cb 0.00 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.66 3h86 s TYR 101 CO 0.00 0.19 -0.11 -1.17 -1.57 0.00 0.00 175.55 172.89 3h86 s LEU 102 N 0.25 2.71 0.20 -1.29 2.96 -0.93 -4.88 118.68 117.71 3h86 s LEU 102 Ca 0.41 -0.37 -0.33 0.00 -0.22 0.00 0.00 54.13 53.63 3h86 s LEU 102 Cb -0.20 -1.63 -0.13 0.00 0.50 0.00 0.00 46.19 44.72 3h86 s LEU 102 CO 0.24 0.10 1.55 -2.65 -1.32 0.00 0.00 176.35 174.27 3h86 n PRO 103 N 3.96 2.26 0.20 0.98 -0.02 -1.26 -1.63 135.00 139.49 3h86 n PRO 103 Ca -0.18 0.81 0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3h86 n PRO 103 Cb 0.52 -2.56 0.24 0.00 -0.02 0.00 0.00 33.50 31.68 3h86 n PRO 103 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3h86 h GLY 104 N 5.46 0.00 -6.03 -1.23 0.00 -1.33 -3.39 103.07 96.55 3h86 h GLY 104 Ca -0.45 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.33 3h86 h GLY 104 CO 0.85 0.00 -1.05 1.04 0.00 0.00 0.00 176.54 177.38 3h86 n LEU 105 N -3.21 -0.15 -4.78 3.11 4.77 -1.26 -4.96 117.00 110.53 3h86 n LEU 105 Ca 0.02 -4.54 -0.32 0.00 -0.03 0.00 0.00 56.01 51.14 3h86 n LEU 105 Cb 0.55 0.63 0.06 0.00 -2.33 0.00 0.00 43.42 42.33 3h86 n LEU 105 CO 0.35 2.02 0.72 -2.16 -1.33 0.00 0.00 177.39 176.99 3h86 s PRO 106 N -0.80 2.64 0.17 3.23 0.04 -1.26 -4.37 135.00 134.66 3h86 s PRO 106 Ca 0.34 1.26 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 3h86 s PRO 106 Cb 0.14 -1.94 0.34 0.00 0.04 0.00 0.00 34.50 33.09 3h86 s PRO 106 CO -0.14 -1.36 0.93 0.00 0.04 0.00 0.00 177.00 176.48 3h86 n ALA 107 N -2.87 0.21 0.17 8.56 0.00 -1.26 0.11 120.51 125.43 3h86 n ALA 107 Ca 0.10 0.65 0.05 0.00 0.00 0.00 0.00 53.44 54.23 3h86 n ALA 107 Cb 0.53 -0.42 0.22 0.00 0.00 0.00 0.00 19.45 19.77 3h86 n ALA 107 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3h86 h TRP 108 N 0.00 0.00 -0.01 0.00 0.09 -1.99 0.11 115.95 114.15 3h86 h TRP 108 Ca 0.32 0.00 -0.21 0.00 0.09 0.00 0.00 58.89 59.09 3h86 h TRP 108 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.79 3h86 h TRP 108 CO -0.40 0.41 -0.88 0.28 0.09 0.00 0.00 178.44 177.94 3h86 h VAL 109 N 0.00 1.43 0.00 0.12 2.07 0.44 -2.41 116.25 117.90 3h86 h VAL 109 Ca -0.00 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 64.99 3h86 h VAL 109 Cb 1.09 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 3h86 h VAL 109 CO 0.05 0.72 -0.40 -0.07 0.02 0.00 0.00 177.57 177.90 3h86 h LEU 110 N 0.20 0.00 -0.18 2.57 3.38 -0.77 -1.04 115.31 119.46 3h86 h LEU 110 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3h86 h LEU 110 Cb 1.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3h86 h LEU 110 CO 0.15 0.40 0.09 0.74 0.09 0.00 0.00 178.44 179.91 3h86 h THR 111 N 0.00 1.13 0.00 0.22 2.02 -0.98 0.59 112.91 115.89 3h86 h THR 111 Ca -0.00 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 3h86 h THR 111 Cb 1.05 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3h86 h THR 111 CO 0.05 0.12 -0.13 -0.08 0.37 0.00 0.00 175.52 175.85 3h86 h GLU 112 N 0.17 0.00 0.00 6.66 4.57 -0.92 -3.30 114.58 121.76 3h86 h GLU 112 Ca 0.06 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.93 3h86 h GLU 112 Cb 0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 3h86 h GLU 112 CO -0.01 0.13 -2.18 1.28 -1.18 0.00 0.00 179.01 177.06 3h86 n LEU 113 N -3.19 2.83 -3.71 1.64 4.77 -0.44 -4.61 117.00 114.29 3h86 n LEU 113 Ca 0.02 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.65 3h86 n LEU 113 Cb 0.47 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3h86 n LEU 113 CO 0.33 0.81 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.90 3h86 n ASN 114 N -3.19 -5.28 -4.64 -1.43 5.15 0.20 -4.88 115.26 101.18 3h86 n ASN 114 Ca -0.37 -0.93 -0.30 0.00 -0.60 0.00 0.00 54.58 52.38 3h86 n ASN 114 Cb 0.88 -2.72 0.18 0.00 -0.53 0.00 0.00 39.78 37.59 3h86 n ASN 114 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3h86 s PRO 115 N -5.51 0.62 -0.25 1.20 0.02 -1.26 -4.72 135.00 125.10 3h86 s PRO 115 Ca 0.25 1.16 -0.03 0.00 0.02 0.00 0.00 61.00 62.40 3h86 s PRO 115 Cb -0.11 -1.71 -0.17 0.00 0.02 0.00 0.00 34.50 32.53 3h86 s PRO 115 CO 0.88 -2.78 -0.19 -0.25 -0.33 0.00 0.00 177.00 174.33 3h86 n ASP 116 N -4.30 1.99 -4.08 2.53 8.00 0.23 -4.52 116.55 116.40 3h86 n ASP 116 Ca 0.08 0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.37 3h86 n ASP 116 Cb 0.53 -0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 3h86 n ASP 116 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h86 s ILE 117 N -2.52 1.12 -0.18 0.53 1.01 -1.23 -2.63 121.20 117.30 3h86 s ILE 117 Ca -0.35 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 59.66 3h86 s ILE 117 Cb 0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3h86 s ILE 117 CO 0.59 0.33 0.09 -0.69 0.00 0.00 0.00 174.94 175.25 3h86 s VAL 118 N -0.05 5.01 -0.21 2.92 1.01 0.11 -1.49 120.40 127.70 3h86 s VAL 118 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3h86 s VAL 118 Cb -0.08 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3h86 s VAL 118 CO 0.01 0.47 -0.07 -0.63 0.00 0.00 0.00 175.10 174.88 3h86 s ILE 119 N 0.21 3.16 -0.26 2.22 1.01 0.42 0.25 121.20 128.21 3h86 s ILE 119 Ca 0.06 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 3h86 s ILE 119 Cb -0.12 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3h86 s ILE 119 CO -0.00 0.45 0.12 -0.69 0.00 0.00 0.00 174.94 174.82 3h86 s VAL 120 N 1.34 4.75 -0.32 2.92 1.01 0.29 -0.28 120.40 130.11 3h86 s VAL 120 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 3h86 s VAL 120 Cb -0.14 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3h86 s VAL 120 CO -0.04 0.31 0.09 -0.69 0.00 0.00 0.00 175.10 174.77 3h86 s VAL 121 N 1.61 3.86 0.41 2.92 1.01 -0.85 -0.13 120.40 129.23 3h86 s VAL 121 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.15 3h86 s VAL 121 Cb -0.15 -3.10 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3h86 s VAL 121 CO 0.06 -0.07 0.03 -1.61 0.00 0.00 0.00 175.10 173.52 3h86 s GLU 122 N 1.44 1.92 0.00 2.72 2.02 -0.04 -4.36 118.70 122.40 3h86 s GLU 122 Ca 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 54.97 52.87 3h86 s GLU 122 Cb -0.18 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.73 3h86 s GLU 122 CO 0.03 -0.19 0.00 -2.37 0.02 0.00 0.00 175.26 172.75 3h86 n THR 123 N -0.95 0.00 -1.51 3.63 5.66 -1.26 -0.27 114.28 119.58 3h86 n THR 123 Ca -0.07 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.51 3h86 n THR 123 Cb 0.67 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.46 3h86 n THR 123 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3h86 n ASP 124 N 0.00 -0.05 -0.23 1.09 9.92 -1.26 -4.78 116.55 121.23 3h86 n ASP 124 Ca 0.00 0.96 0.10 0.00 -0.53 0.00 0.00 54.79 55.32 3h86 n ASP 124 Cb 0.00 -1.20 0.37 0.00 -0.64 0.00 0.00 41.12 39.65 3h86 n ASP 124 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3h86 h GLY 125 N 1.08 1.09 0.81 0.44 0.00 -1.98 -2.59 103.07 101.93 3h86 h GLY 125 Ca -0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3h86 h GLY 125 CO 0.54 0.15 -0.19 -0.55 0.00 0.00 0.00 176.54 176.48 3h86 h ASP 126 N 0.72 -0.46 -0.53 0.19 3.32 -1.95 -1.91 116.42 115.79 3h86 h ASP 126 Ca 0.39 -0.08 0.11 0.00 0.02 0.00 0.00 57.03 57.46 3h86 h ASP 126 Cb 0.53 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.11 3h86 h ASP 126 CO -0.16 -0.18 0.01 -0.33 -1.72 0.00 0.00 179.24 176.86 3h86 h GLU 127 N -0.73 0.12 -0.85 3.56 5.08 -1.91 -0.96 114.58 118.88 3h86 h GLU 127 Ca -0.05 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3h86 h GLU 127 Cb 0.51 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3h86 h GLU 127 CO 0.09 0.08 0.56 0.82 -1.00 0.00 0.00 179.01 179.56 3h86 h ILE 128 N 0.13 1.06 0.00 3.13 2.04 -1.43 -0.52 117.51 121.92 3h86 h ILE 128 Ca 0.27 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3h86 h ILE 128 Cb 0.42 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3h86 h ILE 128 CO -0.44 0.18 -0.01 0.25 0.00 0.00 0.00 178.15 178.12 3h86 h LEU 129 N 0.96 0.00 -1.76 1.44 5.85 -0.48 -1.69 115.31 119.63 3h86 h LEU 129 Ca 0.36 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 3h86 h LEU 129 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3h86 h LEU 129 CO -0.13 0.00 0.00 0.80 -0.34 0.00 0.00 178.44 178.77 3h86 n MET 130 N -2.34 2.21 -0.10 1.25 1.56 -0.24 -4.19 117.12 115.27 3h86 n MET 130 Ca 0.05 -1.76 -0.12 0.00 -0.27 0.00 0.00 57.70 55.60 3h86 n MET 130 Cb 0.44 -1.47 -0.13 0.00 2.15 0.00 0.00 33.22 34.21 3h86 n MET 130 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3h86 n ARG 131 N 1.13 0.78 0.25 2.12 1.74 -0.66 -3.64 116.66 118.38 3h86 n ARG 131 Ca 0.15 0.05 0.18 0.00 -0.77 0.00 0.00 57.85 57.46 3h86 n ARG 131 Cb 0.55 -1.49 0.85 0.00 -1.02 0.00 0.00 32.46 31.36 3h86 n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h86 h ARG 132 N 0.00 0.00 0.01 5.56 3.08 -1.67 -2.03 114.38 119.33 3h86 h ARG 132 Ca -0.53 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.45 3h86 h ARG 132 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.08 3h86 h ARG 132 CO -0.02 0.00 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.43 3h86 h LEU 133 N 0.00 0.04 0.38 3.04 3.38 -1.73 -3.43 115.31 117.01 3h86 h LEU 133 Ca 0.07 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.13 3h86 h LEU 133 Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h86 h LEU 133 CO -0.00 1.16 -0.18 0.28 0.09 0.00 0.00 178.44 179.78 3h86 h SER 134 N -0.93 -0.44 -2.03 -0.43 0.02 -1.56 -3.38 113.55 104.80 3h86 h SER 134 Ca -0.10 0.02 -0.60 0.00 -0.84 0.00 0.00 61.79 60.26 3h86 h SER 134 Cb 1.14 0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.67 3h86 h SER 134 CO -0.03 -0.30 1.05 -0.62 -1.14 0.00 0.00 176.83 175.79 3h86 s ASP 135 N -2.89 6.35 -0.74 3.07 -1.08 -0.79 -4.85 116.67 115.74 3h86 s ASP 135 Ca -0.08 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.80 3h86 s ASP 135 Cb 0.01 -2.51 0.37 0.00 -1.46 0.00 0.00 42.92 39.33 3h86 s ASP 135 CO 0.23 -1.52 1.73 -0.62 0.52 0.00 0.00 175.17 175.51 3h86 n GLU 136 N 8.38 3.10 0.22 4.34 1.02 -1.26 -3.95 120.64 132.49 3h86 n GLU 136 Ca 0.15 -3.89 0.07 0.00 -0.02 0.00 0.00 57.16 53.46 3h86 n GLU 136 Cb 0.49 -2.27 0.52 0.00 -0.02 0.00 0.00 31.44 30.16 3h86 n GLU 136 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h86 h SER 137 N 2.94 0.00 -2.22 1.62 4.64 -1.96 -3.44 113.55 115.13 3h86 h SER 137 Ca 0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.27 3h86 h SER 137 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.32 3h86 h SER 137 CO 1.24 0.21 -0.58 -0.13 -0.87 0.00 0.00 176.83 176.70 3h86 s ARG 138 N -4.40 2.62 0.22 4.77 0.52 -1.25 -5.13 118.95 116.31 3h86 s ARG 138 Ca -0.03 -1.22 -0.04 0.00 -0.52 0.00 0.00 55.73 53.92 3h86 s ARG 138 Cb 0.15 -2.37 0.06 0.00 0.52 0.00 0.00 34.95 33.30 3h86 s ARG 138 CO 0.67 0.39 0.17 0.36 0.02 0.00 0.00 175.30 176.91 3h86 n LYS 139 N -1.02 -1.76 -3.98 3.54 2.85 -1.26 -5.05 118.16 111.48 3h86 n LYS 139 Ca -0.07 -0.28 -0.24 0.00 -1.05 0.00 0.00 58.31 56.67 3h86 n LYS 139 Cb 0.58 -0.29 -0.17 0.00 -0.65 0.00 0.00 35.03 34.50 3h86 n LYS 139 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 3h86 s ARG 140 N -3.39 1.18 0.19 -1.58 1.70 -1.26 -4.98 118.95 110.82 3h86 s ARG 140 Ca 0.12 -0.15 -0.12 0.00 -0.47 0.00 0.00 55.73 55.11 3h86 s ARG 140 Cb -0.01 -1.29 0.16 0.00 -0.57 0.00 0.00 34.95 33.24 3h86 s ARG 140 CO 0.09 -0.22 1.82 0.22 -1.08 0.00 0.00 175.30 176.13 3h86 h ASP 141 N 7.95 0.54 -5.37 -2.89 -0.00 -1.97 -3.47 116.42 111.21 3h86 h ASP 141 Ca -0.28 0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 56.74 3h86 h ASP 141 Cb 1.14 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.37 3h86 h ASP 141 CO 0.38 0.37 -0.88 -0.11 -0.00 0.00 0.00 179.24 179.01 3h86 n LEU 142 N -4.78 -7.31 0.00 2.28 7.94 -1.26 -5.05 117.00 108.82 3h86 n LEU 142 Ca 0.06 1.02 -0.22 0.00 -1.11 0.00 0.00 56.01 55.76 3h86 n LEU 142 Cb 0.11 -3.11 -0.04 0.00 0.53 0.00 0.00 43.42 40.90 3h86 n LEU 142 CO 0.31 -2.67 -0.15 -1.84 -1.11 0.00 0.00 177.39 171.92 3h86 n GLU 143 N 0.46 1.14 -3.01 1.96 0.28 -1.26 -5.13 120.64 115.07 3h86 n GLU 143 Ca 0.03 -2.55 -0.31 0.00 -0.16 0.00 0.00 57.16 54.17 3h86 n GLU 143 Cb 0.21 0.66 -0.04 0.00 1.43 0.00 0.00 31.44 33.70 3h86 n GLU 143 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3h86 s THR 144 N -2.24 4.79 0.34 3.84 -4.23 -1.26 -4.97 115.64 111.91 3h86 s THR 144 Ca 0.01 0.63 0.38 0.00 -1.18 0.00 0.00 61.69 61.54 3h86 s THR 144 Cb -0.00 -3.69 0.42 0.00 1.34 0.00 0.00 72.50 70.56 3h86 s THR 144 CO 0.01 -0.39 2.15 0.74 -0.54 0.00 0.00 174.62 176.59 3h86 h THR 145 N 1.40 0.00 0.00 3.99 2.02 -1.99 -1.83 112.91 116.50 3h86 h THR 145 Ca -0.47 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 3h86 h THR 145 Cb 1.18 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 3h86 h THR 145 CO 0.65 0.00 -0.64 0.00 0.37 0.00 0.00 175.52 175.90 3h86 h ALA 146 N 2.00 0.68 0.00 6.16 0.00 -1.99 -0.84 119.26 125.27 3h86 h ALA 146 Ca 0.00 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.24 3h86 h ALA 146 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3h86 h ALA 146 CO 0.00 0.80 -1.44 -1.13 0.00 0.00 0.00 179.25 177.48 3h86 n SER 147 N -3.39 0.63 0.00 0.00 3.41 -0.74 -1.90 113.62 111.63 3h86 n SER 147 Ca 0.01 0.26 -0.17 0.00 -0.26 0.00 0.00 58.87 58.70 3h86 n SER 147 Cb 0.74 0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 65.25 3h86 n SER 147 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h86 h ILE 148 N 0.00 1.43 -0.41 -1.33 2.04 -1.26 -2.42 117.51 115.56 3h86 h ILE 148 Ca -0.10 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 3h86 h ILE 148 Cb 1.30 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 39.97 3h86 h ILE 148 CO 0.02 0.61 0.21 -0.33 0.00 0.00 0.00 178.15 178.65 3h86 h GLU 149 N -0.11 0.58 -0.90 2.37 4.39 -1.22 -0.51 114.58 119.17 3h86 h GLU 149 Ca -0.08 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.65 3h86 h GLU 149 Cb 1.32 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.79 3h86 h GLU 149 CO 0.12 0.49 0.58 1.49 -1.16 0.00 0.00 179.01 180.53 3h86 h GLU 150 N 0.52 0.86 -0.11 2.33 4.81 -1.42 0.20 114.58 121.78 3h86 h GLU 150 Ca 0.14 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 3h86 h GLU 150 Cb 0.09 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.28 3h86 h GLU 150 CO -0.02 0.57 -0.21 1.25 -0.73 0.00 0.00 179.01 179.87 3h86 h HIS 151 N 0.89 0.42 0.00 0.92 2.76 -0.82 -0.76 115.15 118.56 3h86 h HIS 151 Ca 0.42 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3h86 h HIS 151 Cb 0.42 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3h86 h HIS 151 CO -0.00 0.82 0.00 1.04 -1.30 0.00 0.00 177.93 178.49 3h86 n GLN 152 N -4.51 0.05 -0.05 5.26 6.02 -0.28 -0.74 117.38 123.13 3h86 n GLN 152 Ca -0.07 0.29 -0.19 0.00 -0.01 0.00 0.00 57.00 57.02 3h86 n GLN 152 Cb 0.42 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.05 3h86 n GLN 152 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3h86 h PHE 153 N 0.00 0.18 -0.09 1.08 3.04 0.73 -3.22 116.94 118.65 3h86 h PHE 153 Ca 0.00 -0.13 0.03 0.00 3.98 0.00 0.00 57.97 61.85 3h86 h PHE 153 Cb 0.13 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3h86 h PHE 153 CO 0.00 1.31 0.07 0.52 -2.02 0.00 0.00 178.31 178.19 3h86 h MET 154 N -0.75 0.00 -0.17 1.11 2.86 -0.12 -2.09 114.93 115.76 3h86 h MET 154 Ca -0.19 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 3h86 h MET 154 Cb 1.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 3h86 h MET 154 CO -0.03 0.00 -0.44 -0.91 1.06 0.00 0.00 176.91 176.59 3h86 h ASN 155 N 0.00 0.44 0.35 1.22 4.21 -1.01 -1.97 115.58 118.82 3h86 h ASN 155 Ca 0.04 -0.20 -0.23 0.00 1.21 0.00 0.00 56.30 57.13 3h86 h ASN 155 Cb 0.19 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 3h86 h ASN 155 CO -0.00 0.83 -0.94 0.03 -1.29 0.00 0.00 177.43 176.06 3h86 h ARG 156 N 0.34 0.40 0.00 0.81 3.08 -1.40 -2.12 114.38 115.49 3h86 h ARG 156 Ca 0.02 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.52 3h86 h ARG 156 Cb 0.92 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 3h86 h ARG 156 CO 0.08 1.10 -0.57 0.00 -1.07 0.00 0.00 179.97 179.51 3h86 h ALA 157 N 0.75 0.80 -0.00 0.04 0.00 -1.35 -2.06 119.26 117.43 3h86 h ALA 157 Ca -0.08 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3h86 h ALA 157 Cb 1.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3h86 h ALA 157 CO 0.16 0.71 -0.01 0.00 0.00 0.00 0.00 179.25 180.11 3h86 h ALA 158 N 1.43 0.01 0.00 0.00 0.00 -1.32 -2.43 119.26 116.95 3h86 h ALA 158 Ca -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3h86 h ALA 158 Cb 1.21 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3h86 h ALA 158 CO 0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.00 3h86 h ALA 159 N 0.37 0.99 0.00 0.00 0.00 -1.41 0.24 119.26 119.45 3h86 h ALA 159 Ca -0.00 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3h86 h ALA 159 Cb 0.64 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3h86 h ALA 159 CO 0.00 0.19 -0.82 1.98 0.00 0.00 0.00 179.25 180.60 3h86 h MET 160 N 0.00 0.00 -0.32 0.00 -1.53 -1.43 -2.32 114.93 109.33 3h86 h MET 160 Ca -0.00 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.21 3h86 h MET 160 Cb 0.76 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.79 3h86 h MET 160 CO 0.02 0.49 -0.02 0.77 0.14 0.00 0.00 176.91 178.31 3h86 h SER 161 N 0.00 0.46 -0.32 1.39 0.02 -0.13 -2.60 113.55 112.36 3h86 h SER 161 Ca -0.05 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 3h86 h SER 161 Cb 1.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3h86 h SER 161 CO 0.07 0.55 -0.29 1.88 -1.14 0.00 0.00 176.83 177.89 3h86 h TYR 162 N 0.48 0.91 -0.67 3.45 0.05 -0.58 -1.69 116.97 118.92 3h86 h TYR 162 Ca 0.10 -0.27 0.05 0.00 0.05 0.00 0.00 58.73 58.66 3h86 h TYR 162 Cb 0.34 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3h86 h TYR 162 CO 0.01 1.03 0.39 0.78 -1.05 0.00 0.00 178.16 179.32 3h86 h GLY 163 N 0.54 0.97 0.98 3.88 0.00 -1.36 0.53 103.07 108.61 3h86 h GLY 163 Ca 0.06 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3h86 h GLY 163 CO 0.07 0.20 0.13 -2.08 0.00 0.00 0.00 176.54 174.86 3h86 h VAL 164 N 0.74 1.24 0.11 4.60 2.07 -1.36 0.63 116.25 124.27 3h86 h VAL 164 Ca 0.29 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3h86 h VAL 164 Cb 0.12 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3h86 h VAL 164 CO -0.15 0.31 -0.05 -0.07 0.02 0.00 0.00 177.57 177.63 3h86 h LEU 165 N 0.72 -0.13 -1.21 2.57 3.38 -0.31 -3.28 115.31 117.06 3h86 h LEU 165 Ca 0.16 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3h86 h LEU 165 Cb 0.33 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3h86 h LEU 165 CO 0.00 0.49 0.00 0.35 0.09 0.00 0.00 178.44 179.37 3h86 n THR 166 N -4.86 0.21 -1.02 0.22 -2.24 0.17 -4.94 114.28 101.83 3h86 n THR 166 Ca -0.08 -0.37 -0.01 0.00 -2.27 0.00 0.00 64.05 61.32 3h86 n THR 166 Cb 0.28 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3h86 n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h86 n GLY 167 N 1.17 0.18 3.79 3.38 0.00 0.22 -4.90 105.19 109.02 3h86 n GLY 167 Ca 0.17 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3h86 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h86 s ALA 168 N -1.29 2.72 0.21 4.61 0.00 -1.15 -5.00 121.76 121.87 3h86 s ALA 168 Ca 0.00 0.63 -0.25 0.00 0.00 0.00 0.00 51.96 52.34 3h86 s ALA 168 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 3h86 s ALA 168 CO 0.00 -0.72 0.82 0.95 0.00 0.00 0.00 175.76 176.81 3h86 s THR 169 N -2.05 4.33 -0.25 0.00 -4.23 -1.08 -4.28 115.64 108.08 3h86 s THR 169 Ca 0.68 1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 62.85 3h86 s THR 169 Cb -0.20 -4.10 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 3h86 s THR 169 CO 0.29 0.40 0.03 -0.69 -0.54 0.00 0.00 174.62 174.11 3h86 s VAL 170 N -1.30 3.80 0.08 2.29 1.01 -1.26 0.04 120.40 125.07 3h86 s VAL 170 Ca 0.40 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.96 3h86 s VAL 170 Cb -0.22 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3h86 s VAL 170 CO 0.26 0.29 -0.03 -0.75 0.00 0.00 0.00 175.10 174.87 3h86 s LYS 171 N 1.52 2.45 -0.22 2.72 2.47 0.14 -4.97 119.74 123.85 3h86 s LYS 171 Ca 0.05 -0.86 0.01 0.00 -1.56 0.00 0.00 55.97 53.61 3h86 s LYS 171 Cb -0.15 -2.48 0.05 0.00 -1.46 0.00 0.00 37.83 33.78 3h86 s LYS 171 CO 0.00 0.54 -0.10 0.42 0.16 0.00 0.00 175.35 176.37 3h86 s ILE 172 N -1.24 1.78 -0.17 5.43 1.01 -1.26 0.11 121.20 126.86 3h86 s ILE 172 Ca 0.23 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 3h86 s ILE 172 Cb -0.11 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3h86 s ILE 172 CO 0.16 0.10 -0.04 -0.69 0.00 0.00 0.00 174.94 174.46 3h86 s VAL 173 N 1.31 3.74 -0.32 2.92 1.01 0.82 -4.96 120.40 124.92 3h86 s VAL 173 Ca -0.04 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.31 3h86 s VAL 173 Cb -0.17 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3h86 s VAL 173 CO -0.07 0.48 0.76 -0.54 0.00 0.00 0.00 175.10 175.72 3h86 s LYS 174 N 0.60 3.89 -1.04 2.72 -0.14 -1.26 -0.86 119.74 123.65 3h86 s LYS 174 Ca -0.03 0.45 -0.06 0.00 -1.36 0.00 0.00 55.97 54.98 3h86 s LYS 174 Cb -0.14 -3.75 0.27 0.00 -1.68 0.00 0.00 37.83 32.52 3h86 s LYS 174 CO 0.03 -0.71 1.08 -1.71 -0.76 0.00 0.00 175.35 173.27 3h86 n ASN 175 N 6.21 5.26 -4.77 2.83 5.15 0.63 -4.44 115.26 126.13 3h86 n ASN 175 Ca 0.03 -3.14 -0.37 0.00 -0.60 0.00 0.00 54.58 50.49 3h86 n ASN 175 Cb 0.48 -1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 38.48 3h86 n ASN 175 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3h86 s LYS 176 N -1.62 3.82 -0.05 1.20 1.02 -1.26 -4.79 119.74 118.06 3h86 s LYS 176 Ca 0.30 1.81 -0.38 0.00 0.02 0.00 0.00 55.97 57.73 3h86 s LYS 176 Cb -0.06 -2.48 -0.16 0.00 -0.52 0.00 0.00 37.83 34.62 3h86 s LYS 176 CO -0.06 -0.51 1.55 0.09 -0.92 0.00 0.00 175.35 175.50 3h86 n ASN 177 N -0.35 2.16 0.00 2.83 4.13 -1.26 -0.30 115.26 122.48 3h86 n ASN 177 Ca 0.06 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.41 3h86 n ASN 177 Cb 0.47 -1.20 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 3h86 n ASN 177 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h86 n GLY 178 N 3.34 2.25 1.73 7.41 0.00 -1.26 -4.91 105.19 113.75 3h86 n GLY 178 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.10 3h86 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h86 n LEU 179 N 0.00 3.97 -0.31 0.99 4.77 0.60 -4.72 117.00 122.30 3h86 n LEU 179 Ca 0.00 -4.30 -0.05 0.00 -0.03 0.00 0.00 56.01 51.63 3h86 n LEU 179 Cb 0.00 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3h86 n LEU 179 CO 0.00 1.79 1.12 0.58 -1.33 0.00 0.00 177.39 179.55 3h86 h VAL 180 N 2.36 1.26 -0.40 4.08 2.07 -1.91 -1.98 116.25 121.71 3h86 h VAL 180 Ca 0.22 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 67.09 3h86 h VAL 180 Cb 1.40 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3h86 h VAL 180 CO 0.50 0.31 0.27 0.44 0.02 0.00 0.00 177.57 179.11 3h86 h ASP 181 N 1.19 0.26 -0.06 0.57 5.19 -1.93 1.51 116.42 123.16 3h86 h ASP 181 Ca 0.29 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.55 3h86 h ASP 181 Cb 0.10 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 39.57 3h86 h ASP 181 CO -0.04 0.17 -0.56 0.78 -3.12 0.00 0.00 179.24 176.47 3h86 h ASN 182 N 0.29 0.59 -0.40 6.45 4.21 -1.74 0.16 115.58 125.14 3h86 h ASN 182 Ca 0.18 -0.69 -0.03 0.00 1.21 0.00 0.00 56.30 56.96 3h86 h ASN 182 Cb 0.33 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 3h86 h ASN 182 CO -0.04 1.20 0.12 0.00 -1.29 0.00 0.00 177.43 177.42 3h86 h ALA 183 N 0.41 0.53 0.20 -0.83 0.00 -0.97 -0.75 119.26 117.85 3h86 h ALA 183 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h86 h ALA 183 Cb 1.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3h86 h ALA 183 CO 0.11 0.19 -0.17 0.28 0.00 0.00 0.00 179.25 179.66 3h86 h VAL 184 N 0.51 0.63 -0.04 0.00 2.07 0.21 -1.38 116.25 118.25 3h86 h VAL 184 Ca 0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3h86 h VAL 184 Cb 0.28 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3h86 h VAL 184 CO -0.00 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 177.26 3h86 h GLU 185 N -0.38 -0.28 -1.00 1.57 4.81 -0.95 -2.03 114.58 116.31 3h86 h GLU 185 Ca -0.01 0.02 0.38 0.00 -0.13 0.00 0.00 59.36 59.62 3h86 h GLU 185 Cb 0.35 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.62 3h86 h GLU 185 CO -0.02 -0.18 0.55 1.49 -0.73 0.00 0.00 179.01 180.12 3h86 h GLU 186 N -0.29 0.14 0.69 1.92 4.81 -1.09 0.20 114.58 120.97 3h86 h GLU 186 Ca 0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3h86 h GLU 186 Cb 0.32 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.68 3h86 h GLU 186 CO -0.19 0.09 -0.33 1.25 -0.73 0.00 0.00 179.01 179.10 3h86 h LEU 187 N 0.14 -0.78 -1.37 1.64 5.85 -0.92 -3.30 115.31 116.57 3h86 h LEU 187 Ca 0.80 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.62 3h86 h LEU 187 Cb 1.99 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 43.16 3h86 h LEU 187 CO -0.70 -0.49 0.52 0.24 -0.34 0.00 0.00 178.44 177.67 3h86 h MET 188 N -1.04 0.68 -0.78 1.25 2.86 0.11 0.18 114.93 118.19 3h86 h MET 188 Ca -0.09 -0.04 0.23 0.00 -2.06 0.00 0.00 59.70 57.73 3h86 h MET 188 Cb 0.74 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3h86 h MET 188 CO 0.16 0.45 0.56 0.66 1.06 0.00 0.00 176.91 179.79 3h86 h SER 189 N 0.70 0.00 0.12 1.22 4.64 -1.49 0.23 113.55 118.98 3h86 h SER 189 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3h86 h SER 189 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3h86 h SER 189 CO -0.14 0.00 -1.09 0.55 -0.87 0.00 0.00 176.83 175.28 3h86 n VAL 190 N -4.30 0.03 1.11 0.95 3.14 0.60 -3.55 118.33 116.29 3h86 n VAL 190 Ca 0.16 -0.11 0.12 0.00 -2.96 0.00 0.00 64.34 61.54 3h86 n VAL 190 Cb 0.85 0.65 0.35 0.00 -1.06 0.00 0.00 33.84 34.63 3h86 n VAL 190 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3h86 n LEU 191 N -1.68 2.06 -0.33 6.55 4.77 0.76 -5.05 117.00 124.08 3h86 n LEU 191 Ca 0.03 -0.82 0.04 0.00 -0.03 0.00 0.00 56.01 55.23 3h86 n LEU 191 Cb 0.38 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3h86 n LEU 191 CO 0.42 0.41 0.38 0.54 -1.33 0.00 0.00 177.39 177.81