#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr4 n LEU 4 N 0.00 -1.71 -4.81 1.08 4.77 -1.26 -5.08 117.00 109.99 3hr4 n LEU 4 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 3hr4 n LEU 4 Cb 0.00 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.17 3hr4 n LEU 4 CO 0.00 0.00 -0.23 0.42 -1.33 0.00 0.00 177.39 176.25 3hr4 s THR 5 N 0.00 4.98 0.36 -5.08 -4.23 -1.26 -4.93 115.64 105.49 3hr4 s THR 5 Ca 0.00 -0.12 0.27 0.00 -1.18 0.00 0.00 61.69 60.66 3hr4 s THR 5 Cb 0.00 -3.20 0.42 0.00 1.34 0.00 0.00 72.50 71.05 3hr4 s THR 5 CO 0.00 0.50 1.27 -0.62 -0.54 0.00 0.00 174.62 175.23 3hr4 n GLU 6 N 1.66 -0.03 0.25 3.99 1.02 -1.26 0.17 120.64 126.44 3hr4 n GLU 6 Ca -0.17 1.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.83 3hr4 n GLU 6 Cb 0.54 -2.01 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 3hr4 n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3hr4 h GLU 7 N 0.00 -0.60 -0.13 3.49 4.57 -1.99 0.24 114.58 120.16 3hr4 h GLU 7 Ca 0.72 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.95 3hr4 h GLU 7 Cb 2.34 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 31.05 3hr4 h GLU 7 CO -0.37 -0.40 0.04 1.96 -1.18 0.00 0.00 179.01 179.06 3hr4 h GLN 8 N -0.62 0.10 -0.29 1.92 4.20 0.13 -1.72 115.11 118.83 3hr4 h GLN 8 Ca -0.05 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.72 3hr4 h GLN 8 Cb 0.50 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 3hr4 h GLN 8 CO 0.07 0.06 -0.24 0.82 -0.67 0.00 0.00 178.83 178.87 3hr4 h ILE 9 N 0.10 0.38 -0.32 2.54 2.04 -1.14 -0.20 117.51 120.91 3hr4 h ILE 9 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 3hr4 h ILE 9 Cb 0.04 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hr4 h ILE 9 CO -0.07 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.31 3hr4 h ALA 10 N 0.86 2.30 -0.04 1.87 0.00 -0.56 0.19 119.26 123.88 3hr4 h ALA 10 Ca 0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 3hr4 h ALA 10 Cb 0.46 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hr4 h ALA 10 CO -0.42 -0.39 -0.91 0.93 0.00 0.00 0.00 179.25 178.47 3hr4 h GLU 11 N 0.00 0.68 0.00 0.00 5.08 -0.25 -2.72 114.58 117.38 3hr4 h GLU 11 Ca 0.15 -0.68 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 3hr4 h GLU 11 Cb 0.60 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3hr4 h GLU 11 CO -0.00 1.28 -0.09 0.74 -1.00 0.00 0.00 179.01 179.93 3hr4 h PHE 12 N 0.36 0.00 -0.15 4.33 0.04 0.64 0.93 116.94 123.09 3hr4 h PHE 12 Ca -0.10 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.54 3hr4 h PHE 12 Cb 1.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.72 3hr4 h PHE 12 CO 0.11 0.09 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.27 3hr4 h LYS 13 N 0.00 0.54 0.00 1.51 1.63 -1.06 0.13 116.57 119.31 3hr4 h LYS 13 Ca -0.00 -0.39 -0.09 0.00 -0.85 0.00 0.00 60.65 59.33 3hr4 h LYS 13 Cb 0.18 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3hr4 h LYS 13 CO 0.01 1.00 -0.41 0.93 -3.45 0.00 0.00 179.45 177.54 3hr4 h GLU 14 N 0.17 0.00 -0.22 1.90 5.08 -1.07 0.76 114.58 121.20 3hr4 h GLU 14 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 3hr4 h GLU 14 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3hr4 h GLU 14 CO 0.09 0.41 -0.31 0.00 -1.00 0.00 0.00 179.01 178.20 3hr4 h ALA 15 N 1.59 0.33 -0.56 3.43 0.00 -0.68 -2.65 119.26 120.71 3hr4 h ALA 15 Ca -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 54.91 54.55 3hr4 h ALA 15 Cb 0.81 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3hr4 h ALA 15 CO 0.05 0.36 0.27 0.35 0.00 0.00 0.00 179.25 180.28 3hr4 h PHE 16 N 0.28 0.49 -0.67 0.00 3.57 -0.16 -1.82 116.94 118.63 3hr4 h PHE 16 Ca 0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3hr4 h PHE 16 Cb 0.89 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 3hr4 h PHE 16 CO 0.08 0.21 0.44 0.66 -2.23 0.00 0.00 178.31 177.48 3hr4 h SER 17 N 0.51 0.62 -0.74 0.41 4.64 -0.68 -0.60 113.55 117.70 3hr4 h SER 17 Ca 0.26 -0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.72 3hr4 h SER 17 Cb 0.21 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.11 3hr4 h SER 17 CO -0.20 0.41 0.49 0.25 -0.87 0.00 0.00 176.83 176.91 3hr4 h LEU 18 N 0.71 0.40 0.03 5.97 6.46 -0.97 -2.01 115.31 125.91 3hr4 h LEU 18 Ca 0.28 0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.94 3hr4 h LEU 18 Cb 0.21 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3hr4 h LEU 18 CO -0.09 0.21 -0.62 -0.26 -0.62 0.00 0.00 178.44 177.06 3hr4 h PHE 19 N 0.43 0.13 0.00 1.25 -1.00 -1.18 -3.37 116.94 113.19 3hr4 h PHE 19 Ca 0.36 -0.10 -0.60 0.00 2.81 0.00 0.00 57.97 60.44 3hr4 h PHE 19 Cb 0.79 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 40.36 3hr4 h PHE 19 CO -0.00 1.24 2.87 -3.47 -1.61 0.00 0.00 178.31 177.34 3hr4 n ASP 20 N -4.41 4.59 -0.19 2.17 2.03 -0.63 -4.71 116.55 115.41 3hr4 n ASP 20 Ca -0.18 -2.61 -0.02 0.00 0.52 0.00 0.00 54.79 52.50 3hr4 n ASP 20 Cb 0.63 -1.32 0.09 0.00 -0.72 0.00 0.00 41.12 39.80 3hr4 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hr4 h LYS 21 N 6.49 0.44 0.00 -0.67 1.57 -1.73 -1.36 116.57 121.31 3hr4 h LYS 21 Ca 0.56 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3hr4 h LYS 21 Cb 0.46 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hr4 h LYS 21 CO 1.78 0.29 0.00 -0.40 -0.57 0.00 0.00 179.45 180.55 3hr4 n ASP 22 N -4.95 0.01 -1.38 0.86 5.68 -1.26 -4.91 116.55 110.61 3hr4 n ASP 22 Ca 0.07 0.50 -0.11 0.00 -0.50 0.00 0.00 54.79 54.76 3hr4 n ASP 22 Cb 0.22 -0.50 0.01 0.00 -1.14 0.00 0.00 41.12 39.70 3hr4 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hr4 n GLY 23 N 0.06 0.02 0.16 6.12 0.00 -0.51 -4.94 105.19 106.09 3hr4 n GLY 23 Ca 0.04 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.78 3hr4 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hr4 n ASP 24 N -0.14 0.99 0.00 1.61 3.85 -1.26 -4.95 116.55 116.65 3hr4 n ASP 24 Ca -0.09 -0.78 0.00 0.00 -0.71 0.00 0.00 54.79 53.21 3hr4 n ASP 24 Cb 0.58 0.37 0.00 0.00 -1.35 0.00 0.00 41.12 40.71 3hr4 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hr4 n GLY 25 N 1.43 0.69 3.07 6.12 0.00 -1.26 -5.07 105.19 110.18 3hr4 n GLY 25 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 3hr4 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hr4 s THR 26 N -2.17 0.56 -0.18 2.61 -4.23 -1.26 -3.90 115.64 107.07 3hr4 s THR 26 Ca 0.00 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3hr4 s THR 26 Cb 0.00 -0.65 -0.03 0.00 1.34 0.00 0.00 72.50 73.16 3hr4 s THR 26 CO 0.00 -0.39 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.04 3hr4 s ILE 27 N -1.44 3.90 0.35 2.99 1.01 0.66 -4.72 121.20 123.96 3hr4 s ILE 27 Ca -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3hr4 s ILE 27 Cb -0.10 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 3hr4 s ILE 27 CO 0.00 0.46 0.53 0.42 0.00 0.00 0.00 174.94 176.35 3hr4 s THR 28 N 0.69 4.54 0.58 2.92 -4.23 -1.26 -2.30 115.64 116.58 3hr4 s THR 28 Ca -0.01 -0.72 0.28 0.00 -1.18 0.00 0.00 61.69 60.06 3hr4 s THR 28 Cb -0.14 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.42 3hr4 s THR 28 CO 0.02 -0.34 2.19 0.71 -0.54 0.00 0.00 174.62 176.66 3hr4 h THR 29 N 0.77 0.56 0.07 3.99 1.35 -1.90 -1.02 112.91 116.72 3hr4 h THR 29 Ca -0.48 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.17 3hr4 h THR 29 Cb 1.24 0.94 0.02 0.00 -1.73 0.00 0.00 68.15 68.62 3hr4 h THR 29 CO 0.58 0.00 -0.87 0.50 -0.25 0.00 0.00 175.52 175.48 3hr4 h LYS 30 N 0.00 0.47 0.00 4.72 3.64 -1.97 -2.71 116.57 120.72 3hr4 h LYS 30 Ca 0.03 -0.59 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 3hr4 h LYS 30 Cb 0.18 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hr4 h LYS 30 CO -0.00 1.23 -0.06 0.93 -2.27 0.00 0.00 179.45 179.29 3hr4 h GLU 31 N -0.03 0.00 0.02 1.90 5.08 -1.62 -2.54 114.58 117.40 3hr4 h GLU 31 Ca -0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3hr4 h GLU 31 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3hr4 h GLU 31 CO 0.17 0.06 -0.01 1.25 -1.00 0.00 0.00 179.01 179.47 3hr4 h LEU 32 N 0.00 -0.03 -0.69 1.33 5.85 -1.27 -3.20 115.31 117.30 3hr4 h LEU 32 Ca -0.00 -0.66 0.10 0.00 0.84 0.00 0.00 57.88 58.16 3hr4 h LEU 32 Cb 0.55 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3hr4 h LEU 32 CO 0.01 0.77 0.30 1.23 -0.34 0.00 0.00 178.44 180.41 3hr4 h GLY 33 N -0.95 1.02 0.31 3.75 0.00 -1.42 -1.21 103.07 104.57 3hr4 h GLY 33 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.21 3hr4 h GLY 33 CO 0.01 0.00 -0.18 -0.84 0.00 0.00 0.00 176.54 175.53 3hr4 h THR 34 N 0.51 0.52 -0.40 4.70 2.02 -1.56 0.41 112.91 119.11 3hr4 h THR 34 Ca 0.35 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.38 3hr4 h THR 34 Cb 0.43 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3hr4 h THR 34 CO -0.31 0.00 -0.33 0.58 0.37 0.00 0.00 175.52 175.83 3hr4 h VAL 35 N -0.18 1.27 -0.72 3.16 2.07 -1.44 -1.89 116.25 118.51 3hr4 h VAL 35 Ca 0.12 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 66.08 3hr4 h VAL 35 Cb 0.37 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3hr4 h VAL 35 CO -0.32 0.50 0.22 0.24 0.02 0.00 0.00 177.57 178.24 3hr4 h MET 36 N 0.75 1.12 -0.05 1.57 2.86 -0.93 -0.61 114.93 119.63 3hr4 h MET 36 Ca 0.07 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 3hr4 h MET 36 Cb 0.92 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3hr4 h MET 36 CO 0.09 0.95 -0.52 0.00 1.06 0.00 0.00 176.91 178.49 3hr4 h ARG 37 N 1.08 0.14 -0.32 1.72 3.08 -0.88 0.40 114.38 119.59 3hr4 h ARG 37 Ca 0.23 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3hr4 h ARG 37 Cb 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3hr4 h ARG 37 CO -0.01 0.63 0.02 0.77 -1.07 0.00 0.00 179.97 180.31 3hr4 h SER 38 N 0.11 0.45 -0.09 7.04 0.02 -0.55 -1.72 113.55 118.81 3hr4 h SER 38 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3hr4 h SER 38 Cb 0.96 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3hr4 h SER 38 CO 0.08 0.50 0.00 0.18 -1.14 0.00 0.00 176.83 176.45 3hr4 n LEU 39 N -4.31 1.16 0.00 5.07 4.77 -0.31 -4.71 117.00 118.67 3hr4 n LEU 39 Ca 0.01 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3hr4 n LEU 39 Cb 0.22 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hr4 n LEU 39 CO 0.38 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hr4 n GLY 40 N 1.05 0.59 3.85 -0.72 0.00 -0.65 -4.96 105.19 104.37 3hr4 n GLY 40 Ca 0.17 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 3hr4 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr4 s GLN 41 N -0.81 3.81 -0.54 1.61 -0.21 0.13 -4.98 119.66 118.67 3hr4 s GLN 41 Ca 0.00 0.27 0.07 0.00 0.02 0.00 0.00 55.36 55.72 3hr4 s GLN 41 Cb 0.00 -3.16 0.32 0.00 1.00 0.00 0.00 33.01 31.16 3hr4 s GLN 41 CO 0.00 0.68 0.83 0.27 -2.12 0.00 0.00 175.29 174.95 3hr4 n ASN 42 N 1.62 3.32 -4.79 5.90 2.04 -1.26 -3.19 115.26 118.90 3hr4 n ASN 42 Ca -0.13 -3.43 -0.36 0.00 -0.44 0.00 0.00 54.58 50.22 3hr4 n ASN 42 Cb 0.53 -0.60 -0.05 0.00 -2.53 0.00 0.00 39.78 37.13 3hr4 n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3hr4 s PRO 43 N -2.90 4.21 0.59 -0.53 0.04 -1.26 -5.04 135.00 130.11 3hr4 s PRO 43 Ca 0.44 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 3hr4 s PRO 43 Cb 0.26 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3hr4 s PRO 43 CO -0.10 -0.08 0.98 0.95 0.04 0.00 0.00 177.00 178.79 3hr4 s THR 44 N -1.78 4.70 0.23 1.26 -4.23 -1.26 -4.80 115.64 109.76 3hr4 s THR 44 Ca 0.58 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.75 3hr4 s THR 44 Cb -0.18 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.01 3hr4 s THR 44 CO 0.23 -1.07 1.70 -0.33 -0.54 0.00 0.00 174.62 174.61 3hr4 h GLU 45 N -0.22 0.28 0.00 3.99 4.39 -1.99 0.34 114.58 121.37 3hr4 h GLU 45 Ca -0.45 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.20 3hr4 h GLU 45 Cb 1.20 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hr4 h GLU 45 CO 0.62 0.19 -0.17 0.00 -1.16 0.00 0.00 179.01 178.49 3hr4 h ALA 46 N 1.56 1.68 0.02 3.43 0.00 -2.00 -1.64 119.26 122.31 3hr4 h ALA 46 Ca 0.38 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.93 3hr4 h ALA 46 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3hr4 h ALA 46 CO -0.46 0.21 -0.95 0.93 0.00 0.00 0.00 179.25 178.98 3hr4 h GLU 47 N 0.00 0.12 -0.47 0.00 5.08 -0.85 -2.76 114.58 115.70 3hr4 h GLU 47 Ca -0.00 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3hr4 h GLU 47 Cb 0.30 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3hr4 h GLU 47 CO 0.02 0.98 0.29 -0.07 -1.00 0.00 0.00 179.01 179.23 3hr4 h LEU 48 N 0.06 0.56 -1.48 1.33 3.38 0.26 -0.95 115.31 118.47 3hr4 h LEU 48 Ca -0.04 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hr4 h LEU 48 Cb 1.63 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3hr4 h LEU 48 CO 0.14 0.45 -0.23 1.56 0.09 0.00 0.00 178.44 180.45 3hr4 h GLN 49 N 0.63 0.05 0.33 1.13 1.08 -1.42 -0.97 115.11 115.94 3hr4 h GLN 49 Ca 0.17 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 3hr4 h GLN 49 Cb -0.01 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3hr4 h GLN 49 CO -0.03 0.28 -0.16 -0.44 -0.95 0.00 0.00 178.83 177.53 3hr4 h ASP 50 N 0.05 -0.38 -0.19 1.46 3.32 -0.91 0.51 116.42 120.28 3hr4 h ASP 50 Ca 0.01 -0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3hr4 h ASP 50 Cb 0.43 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3hr4 h ASP 50 CO 0.03 -0.20 -0.12 0.24 -1.72 0.00 0.00 179.24 177.48 3hr4 h MET 51 N -0.54 -0.11 -0.43 3.56 2.86 -1.00 0.20 114.93 119.47 3hr4 h MET 51 Ca -0.05 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 3hr4 h MET 51 Cb 0.40 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3hr4 h MET 51 CO 0.08 -0.07 0.19 0.82 1.06 0.00 0.00 176.91 178.98 3hr4 h ILE 52 N -0.11 0.92 0.00 -1.22 1.08 -1.01 -2.17 117.51 114.99 3hr4 h ILE 52 Ca 0.11 -0.13 -0.03 0.00 -0.39 0.00 0.00 64.86 64.42 3hr4 h ILE 52 Cb 0.27 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3hr4 h ILE 52 CO -0.26 0.07 -0.13 0.78 -0.69 0.00 0.00 178.15 177.92 3hr4 h ASN 53 N 0.38 0.00 -0.27 1.72 2.35 0.13 -1.76 115.58 118.13 3hr4 h ASN 53 Ca 0.20 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 3hr4 h ASN 53 Cb 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3hr4 h ASN 53 CO -0.17 0.13 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.08 3hr4 h GLU 54 N 0.00 0.70 0.00 0.81 5.08 -0.01 -3.27 114.58 117.89 3hr4 h GLU 54 Ca -0.00 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 3hr4 h GLU 54 Cb 0.24 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hr4 h GLU 54 CO 0.02 1.01 -0.82 0.28 -1.00 0.00 0.00 179.01 178.50 3hr4 h VAL 55 N 0.43 0.24 -0.66 3.13 2.07 -1.46 -3.43 116.25 116.58 3hr4 h VAL 55 Ca 0.04 -1.41 -0.30 0.00 0.82 0.00 0.00 66.70 65.84 3hr4 h VAL 55 Cb 0.91 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3hr4 h VAL 55 CO 0.08 0.14 0.81 -0.62 0.02 0.00 0.00 177.57 178.00 3hr4 s ASP 56 N -5.80 5.13 0.10 0.57 2.15 -0.67 -4.76 116.67 113.38 3hr4 s ASP 56 Ca 0.01 -0.91 -0.13 0.00 0.43 0.00 0.00 52.55 51.95 3hr4 s ASP 56 Cb 0.08 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 39.97 3hr4 s ASP 56 CO 0.76 -2.81 1.29 0.00 -0.17 0.00 0.00 175.17 174.24 3hr4 h ALA 57 N 10.92 0.29 0.00 3.66 0.00 -1.86 -3.11 119.26 129.16 3hr4 h ALA 57 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hr4 h ALA 57 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hr4 h ALA 57 CO 1.21 0.68 0.00 -0.40 0.00 0.00 0.00 179.25 180.75 3hr4 n ASP 58 N -3.93 0.00 -2.07 0.00 3.85 -1.26 -4.86 116.55 108.27 3hr4 n ASP 58 Ca -0.08 -1.68 -0.08 0.00 -0.71 0.00 0.00 54.79 52.24 3hr4 n ASP 58 Cb 0.76 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.52 3hr4 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hr4 n GLY 59 N 0.57 -0.10 0.67 6.12 0.00 -1.18 -4.80 105.19 106.47 3hr4 n GLY 59 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3hr4 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hr4 n ASN 60 N -1.14 1.94 0.00 1.61 6.94 -1.26 -4.93 115.26 118.42 3hr4 n ASN 60 Ca -0.09 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 3hr4 n ASN 60 Cb 0.48 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 3hr4 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hr4 n GLY 61 N 1.08 3.23 3.29 4.83 0.00 -1.26 -5.03 105.19 111.32 3hr4 n GLY 61 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3hr4 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hr4 s THR 62 N -2.91 0.01 -0.19 2.61 -4.23 -1.26 -4.79 115.64 104.87 3hr4 s THR 62 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 3hr4 s THR 62 Cb 0.00 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 3hr4 s THR 62 CO 0.00 0.00 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.40 3hr4 s ILE 63 N -3.47 3.46 0.40 2.99 1.01 -0.97 -4.70 121.20 119.92 3hr4 s ILE 63 Ca 0.40 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.65 3hr4 s ILE 63 Cb 0.03 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.95 3hr4 s ILE 63 CO 0.27 0.45 0.54 1.51 0.00 0.00 0.00 174.94 177.71 3hr4 s ASP 64 N 1.06 5.75 0.24 3.58 1.47 -1.26 -0.25 116.67 127.25 3hr4 s ASP 64 Ca 0.01 -0.36 -0.05 0.00 1.18 0.00 0.00 52.55 53.33 3hr4 s ASP 64 Cb -0.15 -0.82 0.44 0.00 -0.34 0.00 0.00 42.92 42.05 3hr4 s ASP 64 CO -0.00 -0.66 1.72 0.15 0.68 0.00 0.00 175.17 177.06 3hr4 h PHE 65 N 0.72 0.46 -1.00 2.11 3.57 -1.99 -1.16 116.94 119.65 3hr4 h PHE 65 Ca -0.42 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.25 3hr4 h PHE 65 Cb 1.27 -0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 3hr4 h PHE 65 CO 0.41 0.04 0.63 -1.35 -2.23 0.00 0.00 178.31 175.81 3hr4 h PRO 66 N 0.41 0.92 -0.11 6.41 0.11 -1.94 1.13 132.00 138.92 3hr4 h PRO 66 Ca 0.40 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 3hr4 h PRO 66 Cb 0.61 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3hr4 h PRO 66 CO -0.41 0.61 -0.56 0.93 -0.21 0.00 0.00 178.00 178.35 3hr4 h GLU 67 N 0.94 0.33 -0.09 1.05 5.08 -1.55 0.30 114.58 120.63 3hr4 h GLU 67 Ca 0.51 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3hr4 h GLU 67 Cb 0.57 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3hr4 h GLU 67 CO -0.28 0.80 -0.08 0.35 -1.00 0.00 0.00 179.01 178.81 3hr4 h PHE 68 N 0.25 0.26 0.07 4.33 3.57 -0.25 -1.88 116.94 123.29 3hr4 h PHE 68 Ca 0.00 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 3hr4 h PHE 68 Cb 1.06 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3hr4 h PHE 68 CO 0.03 0.62 -0.04 1.25 -2.23 0.00 0.00 178.31 177.94 3hr4 h LEU 69 N -0.18 -0.09 -0.82 0.59 7.12 0.14 -1.38 115.31 120.69 3hr4 h LEU 69 Ca 0.02 -0.17 0.20 0.00 0.13 0.00 0.00 57.88 58.06 3hr4 h LEU 69 Cb 0.57 0.02 -0.15 0.00 -0.53 0.00 0.00 40.66 40.58 3hr4 h LEU 69 CO 0.02 0.12 0.02 0.74 -0.13 0.00 0.00 178.44 179.21 3hr4 h THR 70 N -0.29 0.26 0.43 1.05 2.02 -0.39 0.28 112.91 116.27 3hr4 h THR 70 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3hr4 h THR 70 Cb 0.25 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3hr4 h THR 70 CO 0.02 0.02 -0.21 -0.03 0.37 0.00 0.00 175.52 175.69 3hr4 h MET 71 N 0.09 -0.55 -0.98 6.66 1.85 -1.10 -3.03 114.93 117.87 3hr4 h MET 71 Ca 0.46 0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.71 3hr4 h MET 71 Cb 0.85 0.13 -0.08 0.00 0.43 0.00 0.00 31.60 32.93 3hr4 h MET 71 CO -0.73 -0.27 0.61 0.52 -0.40 0.00 0.00 176.91 176.64 3hr4 h MET 72 N -1.03 0.93 -0.73 0.39 2.86 -0.93 0.13 114.93 116.54 3hr4 h MET 72 Ca -0.06 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3hr4 h MET 72 Cb 0.54 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3hr4 h MET 72 CO 0.10 0.62 0.35 0.00 1.06 0.00 0.00 176.91 179.03 3hr4 h ALA 73 N 1.53 1.23 0.29 6.32 0.00 -1.03 -0.25 119.26 127.36 3hr4 h ALA 73 Ca 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3hr4 h ALA 73 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hr4 h ALA 73 CO -0.27 0.59 -0.14 -0.09 0.00 0.00 0.00 179.25 179.34 3hr4 h ARG 74 N 1.04 -0.38 -0.82 0.00 2.43 -1.09 -3.20 114.38 112.35 3hr4 h ARG 74 Ca 0.25 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.60 3hr4 h ARG 74 Cb 0.11 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.69 3hr4 h ARG 74 CO -0.03 -0.20 0.54 -0.22 -1.51 0.00 0.00 179.97 178.54 3hr4 h LYS 75 N -1.08 0.50 0.25 0.20 1.63 -0.82 -2.67 116.57 114.58 3hr4 h LYS 75 Ca -0.04 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 3hr4 h LYS 75 Cb 0.35 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3hr4 h LYS 75 CO 0.07 0.33 -0.16 0.52 -3.45 0.00 0.00 179.45 176.76 3hr4 h MET 76 N 0.52 -0.37 -5.79 1.90 2.86 -1.13 -3.28 114.93 109.63 3hr4 h MET 76 Ca 0.41 0.03 -0.37 0.00 -2.06 0.00 0.00 59.70 57.70 3hr4 h MET 76 Cb 0.84 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 3hr4 h MET 76 CO -0.16 -0.25 0.96 0.15 1.06 0.00 0.00 176.91 178.67 3hr4 s LYS 77 N -3.94 2.81 0.13 1.72 -0.14 -1.00 -4.73 119.74 114.59 3hr4 s LYS 77 Ca -0.06 -0.57 -0.24 0.00 -1.36 0.00 0.00 55.97 53.74 3hr4 s LYS 77 Cb 0.01 -5.15 0.08 0.00 -1.68 0.00 0.00 37.83 31.09 3hr4 s LYS 77 CO 0.19 -3.13 1.09 0.34 -0.76 0.00 0.00 175.35 173.09 3hr4 s ASP 78 N 7.17 -0.02 -0.19 2.83 2.15 -1.24 -4.88 116.67 122.49 3hr4 s ASP 78 Ca 0.64 -0.51 0.08 0.00 0.43 0.00 0.00 52.55 53.20 3hr4 s ASP 78 Cb -0.05 0.41 -0.22 0.00 -0.30 0.00 0.00 42.92 42.76 3hr4 s ASP 78 CO -0.02 -0.80 0.08 0.35 -0.17 0.00 0.00 175.17 174.62 3hr4 n THR 79 N -0.69 1.51 0.15 1.71 -2.24 -1.26 -4.23 114.28 109.23 3hr4 n THR 79 Ca -0.03 -0.72 0.18 0.00 -2.27 0.00 0.00 64.05 61.21 3hr4 n THR 79 Cb 0.60 -1.05 0.69 0.00 -2.10 0.00 0.00 70.33 68.47 3hr4 n THR 79 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hr4 h ASP 80 N 0.01 0.00 -0.89 3.42 5.19 -1.94 0.18 116.42 122.39 3hr4 h ASP 80 Ca -0.51 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.09 3hr4 h ASP 80 Cb 2.07 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.46 3hr4 h ASP 80 CO 0.00 0.00 0.44 0.77 -3.12 0.00 0.00 179.24 177.33 3hr4 h SER 81 N 0.00 0.47 -0.35 6.45 4.64 -1.80 -1.30 113.55 121.66 3hr4 h SER 81 Ca 0.16 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.63 3hr4 h SER 81 Cb 1.22 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 3hr4 h SER 81 CO -0.00 0.11 -0.21 1.21 -0.87 0.00 0.00 176.83 177.08 3hr4 n GLU 82 N -4.94 -0.15 -0.09 4.77 0.00 0.64 0.15 120.64 121.00 3hr4 n GLU 82 Ca 0.20 1.07 -0.11 0.00 0.00 0.00 0.00 57.16 58.32 3hr4 n GLU 82 Cb 0.57 -1.58 -0.04 0.00 0.00 0.00 0.00 31.44 30.39 3hr4 n GLU 82 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3hr4 h GLU 83 N 0.00 0.49 -0.28 5.31 4.57 -1.56 -2.78 114.58 120.34 3hr4 h GLU 83 Ca 0.06 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3hr4 h GLU 83 Cb 0.14 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3hr4 h GLU 83 CO -0.33 0.65 0.15 0.93 -1.18 0.00 0.00 179.01 179.23 3hr4 h GLU 84 N 0.28 0.30 -0.95 1.92 5.08 -0.23 0.34 114.58 121.31 3hr4 h GLU 84 Ca 0.08 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3hr4 h GLU 84 Cb 0.44 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3hr4 h GLU 84 CO 0.02 0.20 0.62 0.82 -1.00 0.00 0.00 179.01 179.66 3hr4 h ILE 85 N 0.30 1.05 -0.33 3.13 2.04 0.13 0.18 117.51 124.02 3hr4 h ILE 85 Ca 0.11 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.48 3hr4 h ILE 85 Cb 0.02 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 3hr4 h ILE 85 CO -0.07 0.20 -0.33 -0.09 0.00 0.00 0.00 178.15 177.85 3hr4 h ARG 86 N 1.07 0.72 0.00 2.37 2.43 -1.02 -1.82 114.38 118.13 3hr4 h ARG 86 Ca 0.42 -0.34 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3hr4 h ARG 86 Cb 0.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3hr4 h ARG 86 CO -0.17 0.95 -0.24 0.93 -1.51 0.00 0.00 179.97 179.93 3hr4 h GLU 87 N 0.61 0.00 0.00 0.20 5.08 0.14 -0.96 114.58 119.64 3hr4 h GLU 87 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3hr4 h GLU 87 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3hr4 h GLU 87 CO 0.07 0.24 -0.49 0.00 -1.00 0.00 0.00 179.01 177.83 3hr4 h ALA 88 N 1.76 1.19 0.23 3.43 0.00 -0.25 -2.94 119.26 122.69 3hr4 h ALA 88 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hr4 h ALA 88 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hr4 h ALA 88 CO 0.03 0.61 -0.11 0.35 0.00 0.00 0.00 179.25 180.13 3hr4 h PHE 89 N 0.00 -0.29 -1.03 0.00 3.04 -0.46 -3.16 116.94 115.04 3hr4 h PHE 89 Ca -0.00 -0.01 0.26 0.00 3.98 0.00 0.00 57.97 62.20 3hr4 h PHE 89 Cb 0.86 0.10 -0.11 0.00 2.56 0.00 0.00 35.95 39.36 3hr4 h PHE 89 CO 0.00 0.06 0.64 0.00 -2.02 0.00 0.00 178.31 176.99 3hr4 h ARG 90 N -0.68 0.45 -0.94 1.11 3.08 -1.37 0.41 114.38 116.44 3hr4 h ARG 90 Ca -0.03 -0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.13 3hr4 h ARG 90 Cb 0.47 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.34 3hr4 h ARG 90 CO 0.05 0.30 0.60 0.28 -1.07 0.00 0.00 179.97 180.13 3hr4 h VAL 91 N 0.46 0.85 0.00 2.04 2.07 -1.48 -2.98 116.25 117.21 3hr4 h VAL 91 Ca 0.62 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.87 3hr4 h VAL 91 Cb 1.42 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hr4 h VAL 91 CO -0.38 0.15 -0.19 -0.26 0.02 0.00 0.00 177.57 176.91 3hr4 h PHE 92 N 0.80 0.00 -0.54 1.57 0.04 -0.43 -3.42 116.94 114.96 3hr4 h PHE 92 Ca 0.48 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.96 3hr4 h PHE 92 Cb 0.67 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.78 3hr4 h PHE 92 CO -0.00 0.00 0.84 0.34 -0.60 0.00 0.00 178.31 178.89 3hr4 s ASP 93 N -5.50 4.94 0.25 2.17 2.15 0.42 -4.77 116.67 116.33 3hr4 s ASP 93 Ca -0.05 -1.17 -0.01 0.00 0.43 0.00 0.00 52.55 51.75 3hr4 s ASP 93 Cb 0.01 -2.58 0.29 0.00 -0.30 0.00 0.00 42.92 40.34 3hr4 s ASP 93 CO 0.08 -3.08 1.68 0.11 -0.17 0.00 0.00 175.17 173.79 3hr4 h LYS 94 N 10.56 0.65 0.00 4.34 1.79 -1.81 -2.80 116.57 129.30 3hr4 h LYS 94 Ca 0.15 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3hr4 h LYS 94 Cb 0.97 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3hr4 h LYS 94 CO 1.20 0.82 -0.19 -0.40 -1.08 0.00 0.00 179.45 179.80 3hr4 n ASP 95 N -4.12 0.26 -2.85 0.86 5.68 -1.26 -4.92 116.55 110.19 3hr4 n ASP 95 Ca 0.00 0.25 -0.21 0.00 -0.50 0.00 0.00 54.79 54.33 3hr4 n ASP 95 Cb 0.41 -0.26 0.03 0.00 -1.14 0.00 0.00 41.12 40.17 3hr4 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hr4 n GLY 96 N 1.48 -0.46 0.42 6.12 0.00 -1.06 -4.87 105.19 106.82 3hr4 n GLY 96 Ca 0.06 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3hr4 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hr4 n ASN 97 N -2.29 1.29 0.00 1.61 6.94 -1.26 -4.90 115.26 116.65 3hr4 n ASN 97 Ca -0.11 -1.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.91 3hr4 n ASN 97 Cb 0.62 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 3hr4 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hr4 n GLY 98 N 1.10 0.78 2.86 4.83 0.00 -1.26 -5.02 105.19 108.48 3hr4 n GLY 98 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 3hr4 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hr4 s TYR 99 N -2.94 0.35 -0.64 1.61 1.51 -1.26 -3.88 117.35 112.10 3hr4 s TYR 99 Ca 0.00 -0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 3hr4 s TYR 99 Cb 0.00 -0.36 0.10 0.00 -0.11 0.00 0.00 41.96 41.59 3hr4 s TYR 99 CO 0.00 -0.09 0.79 0.42 -1.11 0.00 0.00 175.55 175.56 3hr4 s ILE 100 N 0.62 4.73 0.86 2.71 1.01 0.06 -4.78 121.20 126.41 3hr4 s ILE 100 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 3hr4 s ILE 100 Cb -0.10 -4.55 0.11 0.00 0.01 0.00 0.00 42.46 37.93 3hr4 s ILE 100 CO -0.01 -1.23 1.13 -0.94 0.00 0.00 0.00 174.94 173.89 3hr4 s SER 101 N 3.60 3.93 0.19 3.58 1.04 -1.26 -3.08 113.70 121.69 3hr4 s SER 101 Ca 0.15 1.06 -0.12 0.00 0.48 0.00 0.00 55.95 57.52 3hr4 s SER 101 Cb -0.21 -1.68 0.15 0.00 0.10 0.00 0.00 66.02 64.38 3hr4 s SER 101 CO 0.06 -2.30 1.79 0.00 0.98 0.00 0.00 173.24 173.77 3hr4 h ALA 102 N -1.32 0.70 0.41 5.32 0.00 -1.96 -2.61 119.26 119.79 3hr4 h ALA 102 Ca -0.49 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hr4 h ALA 102 Cb 1.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hr4 h ALA 102 CO 0.61 -0.05 -0.25 0.00 0.00 0.00 0.00 179.25 179.57 3hr4 h ALA 103 N 1.28 -0.62 -0.79 0.00 0.00 -1.98 -0.01 119.26 117.14 3hr4 h ALA 103 Ca 0.24 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.21 3hr4 h ALA 103 Cb 0.13 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.09 3hr4 h ALA 103 CO -0.15 -0.86 0.14 0.93 0.00 0.00 0.00 179.25 179.31 3hr4 h GLU 104 N -0.63 0.19 -0.47 0.00 5.08 -1.86 1.29 114.58 118.19 3hr4 h GLU 104 Ca -0.05 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3hr4 h GLU 104 Cb 0.51 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3hr4 h GLU 104 CO 0.05 0.13 0.01 1.25 -1.00 0.00 0.00 179.01 179.44 3hr4 h LEU 105 N 0.20 0.73 0.65 1.33 6.46 -1.13 -2.21 115.31 121.34 3hr4 h LEU 105 Ca 0.46 -0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3hr4 h LEU 105 Cb 0.85 -0.19 0.01 0.00 -0.73 0.00 0.00 40.66 40.59 3hr4 h LEU 105 CO -0.61 0.80 -0.31 -0.09 -0.62 0.00 0.00 178.44 177.61 3hr4 h ARG 106 N 0.72 -0.84 -0.64 1.25 2.43 0.32 -2.60 114.38 115.02 3hr4 h ARG 106 Ca 0.14 0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3hr4 h ARG 106 Cb 0.43 0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 30.09 3hr4 h ARG 106 CO 0.02 -0.54 -0.40 1.25 -1.51 0.00 0.00 179.97 178.79 3hr4 h HIS 107 N -0.96 -1.27 -0.69 2.20 2.76 0.92 0.16 115.15 118.27 3hr4 h HIS 107 Ca -0.09 0.08 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 3hr4 h HIS 107 Cb 0.70 0.64 -0.09 0.00 1.55 0.00 0.00 27.41 30.20 3hr4 h HIS 107 CO -0.01 -0.26 0.20 0.28 -1.30 0.00 0.00 177.93 176.84 3hr4 h VAL 108 N -0.02 0.62 -0.26 5.26 2.07 -1.43 0.09 116.25 122.57 3hr4 h VAL 108 Ca 0.10 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hr4 h VAL 108 Cb 0.29 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3hr4 h VAL 108 CO -0.61 0.06 0.08 0.24 0.02 0.00 0.00 177.57 177.35 3hr4 h MET 109 N 0.33 0.41 -0.52 1.57 2.07 -0.68 -0.77 114.93 117.34 3hr4 h MET 109 Ca 0.37 -0.09 -0.03 0.00 -2.07 0.00 0.00 59.70 57.88 3hr4 h MET 109 Cb 0.58 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.23 3hr4 h MET 109 CO -0.43 0.49 0.18 1.79 1.07 0.00 0.00 176.91 180.01 3hr4 h THR 110 N 0.26 1.20 0.00 2.22 1.35 -0.19 0.25 112.91 118.00 3hr4 h THR 110 Ca 0.08 -0.65 -0.04 0.00 -0.55 0.00 0.00 66.41 65.25 3hr4 h THR 110 Cb 0.25 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 3hr4 h THR 110 CO -0.00 0.25 -0.21 0.78 -0.25 0.00 0.00 175.52 176.09 3hr4 h ASN 111 N 0.74 0.00 -0.25 5.36 4.21 -0.61 0.20 115.58 125.24 3hr4 h ASN 111 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3hr4 h ASN 111 Cb 0.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.39 3hr4 h ASN 111 CO -0.01 0.21 0.00 0.18 -1.29 0.00 0.00 177.43 176.52 3hr4 n LEU 112 N -3.76 1.43 -0.58 1.61 4.77 -0.23 -4.80 117.00 115.45 3hr4 n LEU 112 Ca -0.02 -0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 55.20 3hr4 n LEU 112 Cb 0.32 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3hr4 n LEU 112 CO 0.33 0.35 -0.07 0.61 -1.33 0.00 0.00 177.39 177.28 3hr4 n GLY 113 N 0.95 0.66 2.94 -0.72 0.00 0.06 -4.99 105.19 104.09 3hr4 n GLY 113 Ca 0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3hr4 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hr4 s GLU 114 N -3.08 2.19 -0.32 1.61 2.56 0.71 -4.98 118.70 117.39 3hr4 s GLU 114 Ca 0.00 -2.88 -0.26 0.00 0.00 0.00 0.00 54.97 51.84 3hr4 s GLU 114 Cb 0.00 -3.39 0.01 0.00 2.00 0.00 0.00 34.13 32.75 3hr4 s GLU 114 CO 0.00 -1.17 0.90 0.15 -0.56 0.00 0.00 175.26 174.58 3hr4 s LYS 115 N -0.69 3.97 0.25 4.30 3.01 -1.26 -3.23 119.74 126.08 3hr4 s LYS 115 Ca 0.20 0.73 0.11 0.00 -1.01 0.00 0.00 55.97 56.00 3hr4 s LYS 115 Cb -0.18 -3.75 -0.05 0.00 -1.01 0.00 0.00 37.83 32.84 3hr4 s LYS 115 CO -0.06 -0.80 -0.16 -0.51 0.51 0.00 0.00 175.35 174.33 3hr4 s LEU 116 N 3.27 2.72 0.80 3.17 1.43 -1.26 -5.08 118.68 123.73 3hr4 s LEU 116 Ca 0.37 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3hr4 s LEU 116 Cb -0.13 -1.30 0.07 0.00 0.03 0.00 0.00 46.19 44.86 3hr4 s LEU 116 CO 0.14 0.06 1.10 -0.89 0.23 0.00 0.00 176.35 176.99 3hr4 s THR 117 N -2.19 3.15 0.27 5.49 2.01 -1.26 -4.90 115.64 118.21 3hr4 s THR 117 Ca 0.28 0.37 0.36 0.00 0.31 0.00 0.00 61.69 63.01 3hr4 s THR 117 Cb -0.06 -2.82 0.38 0.00 0.01 0.00 0.00 72.50 70.00 3hr4 s THR 117 CO 0.15 -0.49 2.09 -0.78 -0.69 0.00 0.00 174.62 174.90 3hr4 h ASP 118 N -1.24 0.00 0.13 3.53 -0.00 -2.00 -3.09 116.42 113.75 3hr4 h ASP 118 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.58 3hr4 h ASP 118 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.57 3hr4 h ASP 118 CO 0.51 0.00 -0.06 -0.08 -0.00 0.00 0.00 179.24 179.61 3hr4 h GLU 119 N 0.00 -0.17 0.00 0.28 4.22 -2.00 -2.84 114.58 114.08 3hr4 h GLU 119 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 3hr4 h GLU 119 Cb 0.16 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hr4 h GLU 119 CO 0.00 -0.11 0.35 1.05 -2.18 0.00 0.00 179.01 178.12 3hr4 h GLU 120 N -0.45 0.00 0.20 1.92 4.11 -1.94 0.17 114.58 118.58 3hr4 h GLU 120 Ca -0.02 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.11 3hr4 h GLU 120 Cb 0.13 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 3hr4 h GLU 120 CO 0.03 0.00 -1.41 0.28 0.07 0.00 0.00 179.01 177.98 3hr4 h VAL 121 N 0.00 1.22 0.00 -1.06 2.07 -1.59 -2.25 116.25 114.64 3hr4 h VAL 121 Ca 0.00 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 64.89 3hr4 h VAL 121 Cb 0.71 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 3hr4 h VAL 121 CO 0.00 0.79 -0.20 0.44 0.02 0.00 0.00 177.57 178.63 3hr4 h ASP 122 N -0.02 0.00 0.43 0.57 3.32 -0.44 -2.59 116.42 117.70 3hr4 h ASP 122 Ca -0.26 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.48 3hr4 h ASP 122 Cb 2.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.55 3hr4 h ASP 122 CO 0.21 0.20 -1.55 -0.08 -1.72 0.00 0.00 179.24 176.29 3hr4 h GLU 123 N 0.00 0.26 0.00 3.56 4.81 -1.43 -2.88 114.58 118.89 3hr4 h GLU 123 Ca -0.00 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3hr4 h GLU 123 Cb 0.58 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3hr4 h GLU 123 CO 0.03 1.12 0.01 -0.12 -0.73 0.00 0.00 179.01 179.31 3hr4 n MET 124 N -3.46 0.00 -0.13 1.92 1.56 -0.85 -1.62 117.12 114.55 3hr4 n MET 124 Ca -0.17 0.34 -0.27 0.00 -0.27 0.00 0.00 57.70 57.33 3hr4 n MET 124 Cb 1.05 -1.51 -0.09 0.00 2.15 0.00 0.00 33.22 34.82 3hr4 n MET 124 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 3hr4 n ILE 125 N -1.33 1.40 0.44 1.12 5.41 -1.14 -4.23 119.36 121.03 3hr4 n ILE 125 Ca 0.00 -0.34 0.03 0.00 1.00 0.00 0.00 62.75 63.44 3hr4 n ILE 125 Cb 0.01 -1.86 0.16 0.00 -0.71 0.00 0.00 39.64 37.24 3hr4 n ILE 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3hr4 n ARG 126 N -4.15 0.22 0.00 0.38 1.74 -0.64 -0.61 116.66 113.60 3hr4 n ARG 126 Ca -0.49 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 56.74 3hr4 n ARG 126 Cb 0.85 -1.38 0.85 0.00 -1.02 0.00 0.00 32.46 31.75 3hr4 n ARG 126 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3hr4 n GLU 127 N -0.88 0.80 0.00 5.56 2.13 -0.65 -3.82 120.64 123.78 3hr4 n GLU 127 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3hr4 n GLU 127 Cb 0.02 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.23 3hr4 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hr4 n ALA 128 N -1.08 0.72 -2.58 4.31 0.00 0.22 -5.06 120.51 117.05 3hr4 n ALA 128 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.21 3hr4 n ALA 128 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 3hr4 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hr4 s ASP 129 N 0.00 6.80 0.18 0.00 3.68 -0.84 -4.81 116.67 121.68 3hr4 s ASP 129 Ca 0.00 -2.35 -0.22 0.00 2.13 0.00 0.00 52.55 52.11 3hr4 s ASP 129 Cb 0.00 -2.58 0.09 0.00 -1.45 0.00 0.00 42.92 38.98 3hr4 s ASP 129 CO 0.00 -1.21 1.59 0.40 0.13 0.00 0.00 175.17 176.08 3hr4 h ILE 130 N 5.69 0.20 -0.75 4.11 2.04 -1.92 -1.94 117.51 124.94 3hr4 h ILE 130 Ca 0.42 0.00 -0.44 0.00 1.00 0.00 0.00 64.86 65.84 3hr4 h ILE 130 Cb 0.88 0.20 -0.23 0.00 -0.74 0.00 0.00 36.82 36.94 3hr4 h ILE 130 CO 1.46 0.00 0.57 -0.90 0.00 0.00 0.00 178.15 179.27 3hr4 n ASP 131 N -5.42 5.10 -1.45 1.72 5.68 -1.26 -4.93 116.55 115.99 3hr4 n ASP 131 Ca 0.03 -3.31 0.00 0.00 -0.50 0.00 0.00 54.79 51.01 3hr4 n ASP 131 Cb 0.35 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 3hr4 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hr4 n GLY 132 N -0.56 -0.21 1.00 6.12 0.00 -0.73 -4.75 105.19 106.07 3hr4 n GLY 132 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 3hr4 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hr4 n ASP 133 N -0.34 2.52 -2.30 1.61 3.85 -1.26 -4.81 116.55 115.82 3hr4 n ASP 133 Ca 0.00 -2.25 -0.14 0.00 -0.71 0.00 0.00 54.79 51.69 3hr4 n ASP 133 Cb 0.21 -0.55 -0.01 0.00 -1.35 0.00 0.00 41.12 39.42 3hr4 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hr4 n GLY 134 N 0.15 -0.26 3.28 6.12 0.00 -1.26 -4.92 105.19 108.30 3hr4 n GLY 134 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 3hr4 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr4 s GLN 135 N -4.79 0.99 -0.27 1.61 -0.21 -1.26 -4.55 119.66 111.18 3hr4 s GLN 135 Ca 0.00 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 3hr4 s GLN 135 Cb 0.00 0.42 0.04 0.00 1.00 0.00 0.00 33.01 34.47 3hr4 s GLN 135 CO 0.00 -0.36 -0.06 0.08 -2.12 0.00 0.00 175.29 172.83 3hr4 s VAL 136 N -3.83 2.73 0.00 1.09 1.01 -1.18 -4.62 120.40 115.60 3hr4 s VAL 136 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3hr4 s VAL 136 Cb 0.03 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3hr4 s VAL 136 CO -0.11 0.06 0.00 -0.46 0.00 0.00 0.00 175.10 174.59 3hr4 n ASN 137 N 4.60 0.00 -0.04 3.32 2.04 -1.26 -0.76 115.26 123.16 3hr4 n ASN 137 Ca -0.15 -0.77 -0.14 0.00 -0.44 0.00 0.00 54.58 53.07 3hr4 n ASN 137 Cb 0.45 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.58 3hr4 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 3hr4 h TYR 138 N -0.59 0.09 -0.81 -2.53 3.20 -1.99 -2.66 116.97 111.67 3hr4 h TYR 138 Ca 0.00 -0.05 0.16 0.00 3.14 0.00 0.00 58.73 61.98 3hr4 h TYR 138 Cb 0.00 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.16 3hr4 h TYR 138 CO 0.00 0.86 0.35 1.49 -1.64 0.00 0.00 178.16 179.22 3hr4 h GLU 139 N -0.71 0.46 0.00 1.82 4.81 -1.95 0.25 114.58 119.26 3hr4 h GLU 139 Ca -0.01 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3hr4 h GLU 139 Cb 0.88 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3hr4 h GLU 139 CO 0.02 0.31 -0.60 0.93 -0.73 0.00 0.00 179.01 178.94 3hr4 h GLU 140 N 0.48 0.00 -0.14 1.92 5.08 -1.89 -2.45 114.58 117.58 3hr4 h GLU 140 Ca 0.46 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.67 3hr4 h GLU 140 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3hr4 h GLU 140 CO -0.42 0.60 -0.48 0.35 -1.00 0.00 0.00 179.01 178.05 3hr4 h PHE 141 N 0.00 0.75 -0.04 4.33 3.04 -0.50 -2.46 116.94 122.06 3hr4 h PHE 141 Ca -0.01 -0.31 -0.11 0.00 3.98 0.00 0.00 57.97 61.52 3hr4 h PHE 141 Cb 1.18 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 3hr4 h PHE 141 CO 0.00 1.08 -0.50 0.28 -2.02 0.00 0.00 178.31 177.15 3hr4 h VAL 142 N 0.21 1.36 0.00 1.41 2.07 -0.66 -2.61 116.25 118.02 3hr4 h VAL 142 Ca -0.02 -1.73 -0.09 0.00 0.82 0.00 0.00 66.70 65.69 3hr4 h VAL 142 Cb 1.11 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3hr4 h VAL 142 CO 0.10 0.50 -0.41 1.56 0.02 0.00 0.00 177.57 179.35 3hr4 h GLN 143 N 0.08 0.00 0.00 1.57 4.20 -1.42 -2.64 115.11 116.90 3hr4 h GLN 143 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3hr4 h GLN 143 Cb 0.91 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3hr4 h GLN 143 CO 0.07 0.41 -0.30 1.98 -0.67 0.00 0.00 178.83 180.31 3hr4 h MET 144 N 0.00 0.00 0.03 1.46 4.05 -1.11 -3.31 114.93 116.05 3hr4 h MET 144 Ca -0.00 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.14 3hr4 h MET 144 Cb 0.88 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.64 3hr4 h MET 144 CO 0.05 0.22 -1.47 0.52 0.23 0.00 0.00 176.91 176.46 3hr4 h MET 145 N 0.00 0.05 -0.79 0.39 2.86 -1.27 -3.38 114.93 112.80 3hr4 h MET 145 Ca -0.01 -0.09 -0.26 0.00 -2.06 0.00 0.00 59.70 57.27 3hr4 h MET 145 Cb 1.18 0.03 -0.16 0.00 0.06 0.00 0.00 31.60 32.72 3hr4 h MET 145 CO 0.03 0.79 0.33 0.25 1.06 0.00 0.00 176.91 179.37 3hr4 n THR 146 N -3.23 3.00 1.84 2.22 -2.24 -1.02 -5.12 114.28 109.74 3hr4 n THR 146 Ca -0.12 -1.68 0.15 0.00 -2.27 0.00 0.00 64.05 60.13 3hr4 n THR 146 Cb 1.02 -0.38 0.82 0.00 -2.10 0.00 0.00 70.33 69.69 3hr4 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50