#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h25 h ARG 5 N 0.00 0.00 0.14 -1.24 3.08 -1.99 -3.09 114.38 111.27 3h25 h ARG 5 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3h25 h ARG 5 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h25 h ARG 5 CO 0.00 0.36 -0.07 1.15 -1.07 0.00 0.00 179.97 180.34 3h25 h THR 6 N 0.00 0.98 -0.81 2.04 2.02 -1.95 -2.32 112.91 112.87 3h25 h THR 6 Ca -0.00 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3h25 h THR 6 Cb 0.86 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3h25 h THR 6 CO 0.05 0.12 0.42 0.25 0.37 0.00 0.00 175.52 176.72 3h25 h LEU 7 N -0.43 1.03 -0.96 2.58 5.85 -1.89 -1.98 115.31 119.52 3h25 h LEU 7 Ca -0.02 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3h25 h LEU 7 Cb 0.34 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3h25 h LEU 7 CO 0.03 0.85 0.35 1.56 -0.34 0.00 0.00 178.44 180.90 3h25 h GLN 8 N 1.13 1.10 -0.33 1.25 7.50 -1.56 -1.64 115.11 122.56 3h25 h GLN 8 Ca 0.28 -0.16 -0.09 0.00 0.50 0.00 0.00 58.65 59.18 3h25 h GLN 8 Cb 0.08 -0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 3h25 h GLN 8 CO -0.04 0.86 -0.15 0.00 -1.50 0.00 0.00 178.83 178.00 3h25 h ALA 9 N 1.30 0.46 0.13 3.87 0.00 -0.98 -1.82 119.26 122.22 3h25 h ALA 9 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h25 h ALA 9 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h25 h ALA 9 CO -0.03 0.35 -0.06 0.82 0.00 0.00 0.00 179.25 180.33 3h25 h ILE 10 N 0.44 0.94 -0.18 0.00 2.04 -1.30 -1.68 117.51 117.76 3h25 h ILE 10 Ca 0.07 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3h25 h ILE 10 Cb 0.67 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 3h25 h ILE 10 CO 0.05 0.06 -0.11 1.23 0.00 0.00 0.00 178.15 179.37 3h25 h GLY 11 N -0.29 0.03 0.81 5.37 0.00 -1.30 0.10 103.07 107.79 3h25 h GLY 11 Ca -0.02 0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3h25 h GLY 11 CO 0.03 -0.13 0.52 3.21 0.00 0.00 0.00 176.54 180.17 3h25 h ARG 12 N -0.11 0.96 -0.28 4.80 3.08 -1.33 -1.55 114.38 119.95 3h25 h ARG 12 Ca 0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3h25 h ARG 12 Cb 0.26 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3h25 h ARG 12 CO -0.25 0.64 0.02 0.37 -1.07 0.00 0.00 179.97 179.67 3h25 h GLN 13 N 0.99 0.48 -0.75 0.04 4.15 -0.55 -0.45 115.11 119.02 3h25 h GLN 13 Ca 0.35 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 3h25 h GLN 13 Cb 0.08 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 3h25 h GLN 13 CO -0.14 0.62 0.44 -0.07 -1.93 0.00 0.00 178.83 177.75 3h25 h LEU 14 N 0.28 0.90 -0.42 -2.39 3.38 -0.63 0.96 115.31 117.39 3h25 h LEU 14 Ca 0.08 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3h25 h LEU 14 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3h25 h LEU 14 CO 0.01 0.70 -0.01 0.50 0.09 0.00 0.00 178.44 179.73 3h25 h LYS 15 N 1.03 0.75 -0.35 1.13 3.64 -1.13 -0.68 116.57 120.96 3h25 h LYS 15 Ca 0.27 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 3h25 h LYS 15 Cb -0.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3h25 h LYS 15 CO -0.05 0.83 -0.38 0.00 -2.27 0.00 0.00 179.45 177.58 3h25 h ALA 16 N 0.89 0.66 -0.27 5.00 0.00 -0.53 -2.96 119.26 122.05 3h25 h ALA 16 Ca 0.12 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 3h25 h ALA 16 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h25 h ALA 16 CO 0.02 0.67 -0.43 0.52 0.00 0.00 0.00 179.25 180.04 3h25 h MET 17 N 0.69 0.67 0.00 0.00 2.86 -0.85 -3.41 114.93 114.89 3h25 h MET 17 Ca 0.06 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3h25 h MET 17 Cb 0.95 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.63 3h25 h MET 17 CO 0.09 0.97 0.00 0.41 1.06 0.00 0.00 176.91 179.44 3h25 n GLY 18 N 0.08 1.22 3.78 8.32 0.00 -0.26 -4.97 105.19 113.36 3h25 n GLY 18 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3h25 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h25 h GLU 20 N 1.43 0.24 -4.62 0.00 5.08 -1.94 -3.43 114.58 111.33 3h25 h GLU 20 Ca -0.50 -0.33 -0.34 0.00 -1.00 0.00 0.00 59.36 57.19 3h25 h GLU 20 Cb 1.24 0.11 -0.26 0.00 0.50 0.00 0.00 28.75 30.35 3h25 h GLU 20 CO 0.58 1.10 -0.76 1.03 -1.00 0.00 0.00 179.01 179.96 3h25 s ARG 21 N -2.92 0.59 0.09 2.33 0.52 -1.26 -1.46 118.95 116.83 3h25 s ARG 21 Ca -0.03 -0.46 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 3h25 s ARG 21 Cb 0.09 -0.52 -0.03 0.00 0.52 0.00 0.00 34.95 35.00 3h25 s ARG 21 CO 0.86 0.13 -0.16 -0.06 0.02 0.00 0.00 175.30 176.08 3h25 s PHE 22 N -0.61 1.44 -0.20 -0.53 0.40 0.21 -1.53 117.98 117.16 3h25 s PHE 22 Ca -0.01 -0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 55.69 3h25 s PHE 22 Cb -0.05 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.65 3h25 s PHE 22 CO 0.00 0.12 0.47 -0.51 0.70 0.00 0.00 175.22 176.00 3h25 s ASP 23 N -1.91 6.50 -0.29 1.36 1.01 0.13 -0.46 116.67 123.01 3h25 s ASP 23 Ca 0.02 0.60 -0.07 0.00 0.71 0.00 0.00 52.55 53.81 3h25 s ASP 23 Cb -0.09 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.57 3h25 s ASP 23 CO 0.03 -0.14 0.09 -0.63 0.21 0.00 0.00 175.17 174.73 3h25 s ILE 24 N 1.54 4.09 -0.18 0.77 -1.09 0.35 -1.98 121.20 124.70 3h25 s ILE 24 Ca 0.22 -0.59 -0.13 0.00 -2.23 0.00 0.00 60.65 57.92 3h25 s ILE 24 Cb -0.15 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3h25 s ILE 24 CO 0.09 0.11 0.25 -0.83 -1.23 0.00 0.00 174.94 173.33 3h25 s GLY 25 N 1.53 2.13 -0.32 6.18 0.00 -0.43 -1.65 107.32 114.75 3h25 s GLY 25 Ca 0.03 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.21 3h25 s GLY 25 CO 0.03 0.41 0.02 0.14 0.00 0.00 0.00 173.10 173.70 3h25 s VAL 26 N 0.62 2.41 -0.23 1.40 1.01 0.62 0.37 120.40 126.61 3h25 s VAL 26 Ca 0.14 -2.07 -0.15 0.00 0.00 0.00 0.00 61.98 59.90 3h25 s VAL 26 Cb -0.13 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3h25 s VAL 26 CO 0.03 -0.43 0.36 -0.60 0.00 0.00 0.00 175.10 174.46 3h25 s ARG 27 N 1.00 4.11 -0.07 2.72 3.52 -0.08 -1.35 118.95 128.81 3h25 s ARG 27 Ca 0.05 0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.44 3h25 s ARG 27 Cb -0.20 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 3h25 s ARG 27 CO -0.06 -0.10 1.29 0.34 -0.81 0.00 0.00 175.30 175.96 3h25 s ASP 28 N 1.23 6.95 0.51 -2.12 -1.08 -0.23 -1.23 116.67 120.70 3h25 s ASP 28 Ca 0.16 1.89 0.26 0.00 -0.52 0.00 0.00 52.55 54.34 3h25 s ASP 28 Cb -0.15 -2.55 1.36 0.00 -1.46 0.00 0.00 42.92 40.12 3h25 s ASP 28 CO 0.08 -0.68 2.03 0.00 0.52 0.00 0.00 175.17 177.13 3h25 h ALA 29 N 7.84 1.26 0.00 3.66 0.00 -1.88 0.11 119.26 130.26 3h25 h ALA 29 Ca -0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3h25 h ALA 29 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3h25 h ALA 29 CO 0.91 0.17 -0.00 1.15 0.00 0.00 0.00 179.25 181.48 3h25 h THR 30 N 0.00 0.83 0.00 0.00 2.02 -1.91 -3.40 112.91 110.45 3h25 h THR 30 Ca -0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3h25 h THR 30 Cb 0.39 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3h25 h THR 30 CO 0.02 0.28 -1.13 0.35 0.37 0.00 0.00 175.52 175.41 3h25 n THR 31 N -4.70 0.51 -1.00 3.16 -2.24 -1.20 -4.96 114.28 103.84 3h25 n THR 31 Ca -0.05 -0.52 -0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3h25 n THR 31 Cb 0.22 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.19 3h25 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h25 n GLY 32 N 1.20 0.47 3.70 3.38 0.00 0.39 -5.01 105.19 109.32 3h25 n GLY 32 Ca -0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3h25 n GLY 32 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h25 s GLN 33 N -0.15 4.44 -0.08 1.61 -1.52 -1.25 -4.76 119.66 117.96 3h25 s GLN 33 Ca 0.00 1.51 -0.18 0.00 -1.95 0.00 0.00 55.36 54.74 3h25 s GLN 33 Cb 0.00 -3.50 -0.05 0.00 -0.22 0.00 0.00 33.01 29.24 3h25 s GLN 33 CO 0.00 -0.27 0.47 1.41 -0.25 0.00 0.00 175.29 176.66 3h25 s MET 34 N 1.67 4.25 -0.21 2.91 -2.45 -1.26 -1.07 119.30 123.14 3h25 s MET 34 Ca 0.52 0.47 -0.05 0.00 -1.25 0.00 0.00 55.69 55.39 3h25 s MET 34 Cb -0.22 -3.38 -0.02 0.00 1.25 0.00 0.00 34.83 32.47 3h25 s MET 34 CO 0.23 0.31 -0.01 1.41 1.05 0.00 0.00 175.02 178.01 3h25 s MET 35 N 0.13 3.53 -0.09 4.11 1.75 -0.46 -4.92 119.30 123.35 3h25 s MET 35 Ca 0.26 -0.56 -0.04 0.00 -1.25 0.00 0.00 55.69 54.11 3h25 s MET 35 Cb -0.16 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.40 3h25 s MET 35 CO 0.12 -0.08 0.06 -0.80 -0.65 0.00 0.00 175.02 173.66 3h25 s ASN 36 N 1.24 5.71 -0.09 1.11 0.02 -1.26 -0.28 114.94 121.39 3h25 s ASN 36 Ca 0.03 0.27 -0.03 0.00 -1.02 0.00 0.00 52.86 52.11 3h25 s ASN 36 Cb -0.15 -1.71 0.04 0.00 0.02 0.00 0.00 41.25 39.46 3h25 s ASN 36 CO 0.00 0.38 0.07 -0.13 0.02 0.00 0.00 177.10 177.45 3h25 s ARG 37 N -0.99 -0.02 -0.35 -0.60 1.81 -0.66 -4.97 118.95 113.17 3h25 s ARG 37 Ca 0.14 0.21 -0.26 0.00 -1.72 0.00 0.00 55.73 54.11 3h25 s ARG 37 Cb -0.12 -1.01 0.01 0.00 -0.45 0.00 0.00 34.95 33.39 3h25 s ARG 37 CO 0.04 -0.46 0.93 -2.00 -0.68 0.00 0.00 175.30 173.12 3h25 s GLU 38 N 2.16 3.88 0.06 3.54 2.12 -1.26 -0.50 118.70 128.70 3h25 s GLU 38 Ca 0.04 0.64 0.05 0.00 0.36 0.00 0.00 54.97 56.06 3h25 s GLU 38 Cb -0.14 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 3h25 s GLU 38 CO -0.05 -0.91 -0.15 -1.58 -0.54 0.00 0.00 175.26 172.03 3h25 s TRP 39 N 3.43 1.31 0.73 5.30 0.51 0.39 -4.98 118.94 125.63 3h25 s TRP 39 Ca 0.38 -0.40 -0.12 0.00 -2.12 0.00 0.00 56.10 53.85 3h25 s TRP 39 Cb -0.12 -0.76 0.03 0.00 -0.81 0.00 0.00 33.47 31.81 3h25 s TRP 39 CO 0.17 0.06 1.09 -1.54 -0.51 0.00 0.00 176.95 176.22 3h25 s SER 40 N -1.42 4.84 0.31 2.95 1.04 -1.26 0.66 113.70 120.82 3h25 s SER 40 Ca 0.01 1.81 0.07 0.00 0.48 0.00 0.00 55.95 58.32 3h25 s SER 40 Cb -0.09 -2.52 0.81 0.00 0.10 0.00 0.00 66.02 64.32 3h25 s SER 40 CO 0.02 -1.81 1.73 0.00 0.98 0.00 0.00 173.24 174.16 3h25 h ALA 41 N -0.78 1.67 -0.17 5.32 0.00 -1.53 0.68 119.26 124.45 3h25 h ALA 41 Ca -0.44 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 3h25 h ALA 41 Cb 1.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3h25 h ALA 41 CO 0.53 -0.23 -0.45 0.00 0.00 0.00 0.00 179.25 179.10 3h25 h ALA 42 N 1.70 0.92 -0.32 0.00 0.00 -1.92 -2.85 119.26 116.79 3h25 h ALA 42 Ca 0.61 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3h25 h ALA 42 Cb 1.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3h25 h ALA 42 CO -0.46 0.64 -0.44 0.93 0.00 0.00 0.00 179.25 179.92 3h25 h GLU 43 N 0.33 0.83 -0.24 0.00 5.08 -1.30 -1.23 114.58 118.05 3h25 h GLU 43 Ca 0.02 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 3h25 h GLU 43 Cb 0.92 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 3h25 h GLU 43 CO 0.08 1.10 -0.08 0.28 -1.00 0.00 0.00 179.01 179.38 3h25 h VAL 44 N 0.66 0.71 -0.21 3.13 2.07 -1.01 -1.06 116.25 120.54 3h25 h VAL 44 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 3h25 h VAL 44 Cb 1.02 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3h25 h VAL 44 CO 0.10 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.37 3h25 h LEU 45 N -0.03 0.39 -0.85 2.57 3.38 -1.44 -2.92 115.31 116.40 3h25 h LEU 45 Ca 0.12 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h25 h LEU 45 Cb 0.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3h25 h LEU 45 CO -0.27 0.65 0.16 -0.61 0.09 0.00 0.00 178.44 178.46 3h25 h GLN 46 N 0.35 1.02 -0.73 1.13 4.15 -0.71 -3.00 115.11 117.31 3h25 h GLN 46 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3h25 h GLN 46 Cb 0.63 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3h25 h GLN 46 CO 0.05 0.90 0.00 0.09 -1.93 0.00 0.00 178.83 177.94 3h25 n ASN 47 N -4.25 3.79 -0.22 -0.69 3.02 -0.45 -4.46 115.26 112.01 3h25 n ASN 47 Ca 0.05 -2.53 -0.06 0.00 -0.03 0.00 0.00 54.58 52.01 3h25 n ASN 47 Cb 0.24 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 38.86 3h25 n ASN 47 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3h25 h THR 48 N 2.43 1.18 -1.01 3.41 2.02 -1.48 -1.26 112.91 118.20 3h25 h THR 48 Ca 0.00 -0.37 0.09 0.00 0.77 0.00 0.00 66.41 66.90 3h25 h THR 48 Cb 1.35 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3h25 h THR 48 CO 0.28 0.18 0.64 -0.65 0.37 0.00 0.00 175.52 176.34 3h25 h PRO 49 N 0.84 1.07 -0.30 6.66 0.11 -1.85 0.31 132.00 138.85 3h25 h PRO 49 Ca 0.22 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3h25 h PRO 49 Cb -0.04 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.81 3h25 h PRO 49 CO -0.04 0.71 -0.06 2.35 -0.21 0.00 0.00 178.00 180.74 3h25 h TRP 50 N 1.10 0.63 -0.58 0.65 7.01 -1.81 -1.62 115.95 121.34 3h25 h TRP 50 Ca 0.46 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 61.33 3h25 h TRP 50 Cb 0.30 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.18 3h25 h TRP 50 CO -0.00 0.75 0.37 -0.07 -2.79 0.00 0.00 178.44 176.69 3h25 h LEU 51 N 0.34 0.67 -0.66 0.65 3.38 -0.72 -0.55 115.31 118.42 3h25 h LEU 51 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3h25 h LEU 51 Cb 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3h25 h LEU 51 CO 0.03 0.50 0.22 0.11 0.09 0.00 0.00 178.44 179.39 3h25 h LYS 52 N 0.78 1.02 0.03 1.13 1.57 -0.20 -2.25 116.57 118.66 3h25 h LYS 52 Ca 0.21 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3h25 h LYS 52 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3h25 h LYS 52 CO -0.04 0.88 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.61 3h25 h ARG 53 N 0.95 -0.04 -0.78 3.15 2.43 -0.40 -1.81 114.38 117.89 3h25 h ARG 53 Ca 0.21 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3h25 h ARG 53 Cb 0.28 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 3h25 h ARG 53 CO -0.01 0.31 0.50 0.52 -1.51 0.00 0.00 179.97 179.79 3h25 h MET 54 N -0.39 0.97 -0.38 0.20 2.86 -1.18 0.10 114.93 117.11 3h25 h MET 54 Ca -0.00 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3h25 h MET 54 Cb 0.37 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3h25 h MET 54 CO 0.01 0.64 0.23 -0.97 1.06 0.00 0.00 176.91 177.88 3h25 h ASN 55 N 1.00 0.38 0.42 1.22 -1.24 -1.40 -1.58 115.58 114.38 3h25 h ASN 55 Ca 0.30 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.26 3h25 h ASN 55 Cb -0.04 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 3h25 h ASN 55 CO -0.09 0.27 -0.25 0.00 -1.29 0.00 0.00 177.43 176.07 3h25 h ALA 56 N 1.16 1.34 -0.23 1.57 0.00 -0.83 -1.69 119.26 120.58 3h25 h ALA 56 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h25 h ALA 56 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h25 h ALA 56 CO -0.06 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.55 3h25 n GLN 57 N -3.88 2.17 -1.72 0.00 3.00 0.31 -4.91 117.38 112.35 3h25 n GLN 57 Ca -0.02 -1.09 -0.00 0.00 -0.01 0.00 0.00 57.00 55.88 3h25 n GLN 57 Cb 0.34 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 28.98 3h25 n GLN 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3h25 n GLY 58 N 0.44 0.71 2.96 1.08 0.00 -0.64 -4.99 105.19 104.76 3h25 n GLY 58 Ca 0.10 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 3h25 n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3h25 s ASN 59 N -3.02 1.05 0.17 1.61 0.01 -0.65 -2.91 114.94 111.20 3h25 s ASN 59 Ca 0.01 -0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 51.75 3h25 s ASN 59 Cb -0.00 -0.34 -0.08 0.00 0.41 0.00 0.00 41.25 41.24 3h25 s ASN 59 CO 0.02 0.03 0.78 -1.81 -1.51 0.00 0.00 177.10 174.60 3h25 s ASP 60 N 0.38 7.39 -0.21 -1.22 1.01 -0.37 -3.99 116.67 119.66 3h25 s ASP 60 Ca -0.05 1.65 -0.04 0.00 0.71 0.00 0.00 52.55 54.81 3h25 s ASP 60 Cb -0.10 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3h25 s ASP 60 CO 0.00 0.20 -0.02 -0.69 0.21 0.00 0.00 175.17 174.87 3h25 s VAL 61 N -1.17 3.68 0.28 -1.27 1.01 -1.26 -0.90 120.40 120.77 3h25 s VAL 61 Ca 0.36 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 62.05 3h25 s VAL 61 Cb -0.23 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3h25 s VAL 61 CO 0.26 0.43 -0.18 -0.31 0.00 0.00 0.00 175.10 175.30 3h25 s TYR 62 N 1.19 2.24 -0.04 5.22 2.02 0.16 -2.01 117.35 126.13 3h25 s TYR 62 Ca 0.03 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 3h25 s TYR 62 Cb -0.14 -1.02 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 3h25 s TYR 62 CO 0.00 0.66 0.13 -1.50 -1.57 0.00 0.00 175.55 173.27 3h25 s ILE 63 N -2.57 0.02 0.08 2.71 2.07 0.39 -1.32 121.20 122.58 3h25 s ILE 63 Ca 0.30 -0.19 -0.24 0.00 -1.41 0.00 0.00 60.65 59.11 3h25 s ILE 63 Cb -0.04 -0.25 0.06 0.00 0.13 0.00 0.00 42.46 42.37 3h25 s ILE 63 CO 0.14 -0.10 0.57 0.00 -1.91 0.00 0.00 174.94 173.64 3h25 s ARG 64 N -0.31 1.14 0.62 3.50 1.70 -0.84 -0.61 118.95 124.16 3h25 s ARG 64 Ca -0.04 -0.27 -0.18 0.00 -0.47 0.00 0.00 55.73 54.77 3h25 s ARG 64 Cb -0.03 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 3h25 s ARG 64 CO 0.00 -0.44 1.15 -2.30 -1.08 0.00 0.00 175.30 172.63 3h25 n PRO 65 N 0.14 1.06 -1.43 3.89 -0.02 -1.26 0.17 135.00 137.54 3h25 n PRO 65 Ca -0.18 0.41 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 3h25 n PRO 65 Cb 0.62 -2.38 0.09 0.00 -0.02 0.00 0.00 33.50 31.82 3h25 n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h25 s ALA 66 N -1.43 2.11 0.24 3.55 0.00 -0.58 -4.19 121.76 121.46 3h25 s ALA 66 Ca 0.79 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.62 3h25 s ALA 66 Cb -0.40 -3.49 0.37 0.00 0.00 0.00 0.00 23.12 19.61 3h25 s ALA 66 CO 0.44 -1.90 1.80 1.49 0.00 0.00 0.00 175.76 177.59 3h25 h GLU 67 N -0.26 0.71 -0.65 0.00 4.57 -1.93 -1.73 114.58 115.30 3h25 h GLU 67 Ca -0.48 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3h25 h GLU 67 Cb 1.30 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3h25 h GLU 67 CO 0.50 0.47 0.00 1.04 -1.18 0.00 0.00 179.01 179.84 3h25 n GLN 68 N -4.78 3.67 -2.80 1.92 1.13 -1.26 -4.93 117.38 110.34 3h25 n GLN 68 Ca 0.13 -2.44 -0.41 0.00 -1.94 0.00 0.00 57.00 52.33 3h25 n GLN 68 Cb 0.27 -1.94 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 3h25 n GLN 68 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3h25 s GLU 69 N -2.08 4.53 -0.41 -1.09 2.56 -0.65 -5.02 118.70 116.53 3h25 s GLU 69 Ca 0.43 1.28 -0.27 0.00 0.00 0.00 0.00 54.97 56.41 3h25 s GLU 69 Cb 0.30 -3.46 0.02 0.00 2.00 0.00 0.00 34.13 33.00 3h25 s GLU 69 CO 0.17 -0.02 1.00 1.03 -0.56 0.00 0.00 175.26 176.88 3h25 s ARG 70 N 0.96 3.77 0.22 4.30 0.52 -1.26 -4.92 118.95 122.53 3h25 s ARG 70 Ca 0.48 0.54 -0.17 0.00 -0.52 0.00 0.00 55.73 56.06 3h25 s ARG 70 Cb -0.20 -3.85 0.02 0.00 0.52 0.00 0.00 34.95 31.44 3h25 s ARG 70 CO 0.25 -1.12 0.55 -3.38 0.02 0.00 0.00 175.30 171.63 3h25 s HIS 71 N 3.81 -0.03 -0.14 -0.53 -3.43 -1.25 -4.75 115.29 108.97 3h25 s HIS 71 Ca 0.41 -0.34 0.14 0.00 -0.80 0.00 0.00 55.06 54.47 3h25 s HIS 71 Cb -0.10 0.41 0.35 0.00 -1.43 0.00 0.00 32.58 31.81 3h25 s HIS 71 CO 0.23 -1.00 1.18 0.41 -2.00 0.00 0.00 174.74 173.56 3h25 n GLY 72 N -0.37 4.22 3.73 -1.38 0.00 -1.16 -0.46 105.19 109.76 3h25 n GLY 72 Ca -0.07 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3h25 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h25 s LEU 73 N -2.49 4.46 -0.07 0.99 1.02 -1.26 -1.26 118.68 120.07 3h25 s LEU 73 Ca 0.33 1.67 0.00 0.00 0.02 0.00 0.00 54.13 56.15 3h25 s LEU 73 Cb 0.32 -3.48 0.02 0.00 0.02 0.00 0.00 46.19 43.07 3h25 s LEU 73 CO -0.05 -0.07 -0.05 -0.69 0.02 0.00 0.00 176.35 175.51 3h25 s VAL 74 N 0.15 0.69 0.08 -1.59 1.01 0.60 -4.94 120.40 116.41 3h25 s VAL 74 Ca 0.45 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 62.03 3h25 s VAL 74 Cb -0.22 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3h25 s VAL 74 CO 0.27 0.28 0.78 -0.22 0.00 0.00 0.00 175.10 176.21 3h25 s LEU 75 N 1.29 4.49 -0.20 3.92 2.96 -1.26 -0.08 118.68 129.80 3h25 s LEU 75 Ca -0.05 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.39 3h25 s LEU 75 Cb -0.14 -3.26 0.05 0.00 0.50 0.00 0.00 46.19 43.33 3h25 s LEU 75 CO -0.02 0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.31 3h25 s VAL 76 N -0.36 1.42 0.10 1.68 1.01 0.11 -4.83 120.40 119.53 3h25 s VAL 76 Ca 0.38 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3h25 s VAL 76 Cb -0.21 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3h25 s VAL 76 CO 0.24 0.09 -0.07 -0.62 0.00 0.00 0.00 175.10 174.74 3h25 s ASP 77 N 1.49 4.55 -0.39 3.32 2.15 -1.26 -0.50 116.67 126.03 3h25 s ASP 77 Ca -0.02 -0.34 -0.01 0.00 0.43 0.00 0.00 52.55 52.61 3h25 s ASP 77 Cb -0.16 -0.92 -0.01 0.00 -0.30 0.00 0.00 42.92 41.52 3h25 s ASP 77 CO -0.08 0.17 0.35 -0.67 -0.17 0.00 0.00 175.17 174.78 3h25 n ASP 78 N 0.63 -4.35 -4.44 -0.34 2.03 -1.10 -1.66 116.55 107.32 3h25 n ASP 78 Ca -0.13 -0.15 -0.28 0.00 0.52 0.00 0.00 54.79 54.75 3h25 n ASP 78 Cb 0.52 -2.77 -0.12 0.00 -0.72 0.00 0.00 41.12 38.03 3h25 n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h25 s LEU 79 N -3.39 2.49 0.46 -2.67 1.43 0.44 -4.51 118.68 112.93 3h25 s LEU 79 Ca 0.09 -0.74 0.08 0.00 -1.03 0.00 0.00 54.13 52.53 3h25 s LEU 79 Cb -0.01 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.94 3h25 s LEU 79 CO 0.33 0.15 0.63 -0.94 0.23 0.00 0.00 176.35 176.75 3h25 s SER 80 N -2.37 5.50 0.46 2.29 1.04 -1.26 -1.75 113.70 117.61 3h25 s SER 80 Ca 0.18 -0.55 0.29 0.00 0.48 0.00 0.00 55.95 56.36 3h25 s SER 80 Cb -0.09 -0.39 1.08 0.00 0.10 0.00 0.00 66.02 66.71 3h25 s SER 80 CO 0.09 -0.92 1.85 1.05 0.98 0.00 0.00 173.24 176.29 3h25 h GLU 81 N 0.52 0.00 -0.01 4.02 4.11 -1.99 -2.31 114.58 118.92 3h25 h GLU 81 Ca -0.37 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.84 3h25 h GLU 81 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h25 h GLU 81 CO 0.44 0.00 -0.90 0.74 0.07 0.00 0.00 179.01 179.36 3h25 h PHE 82 N 0.00 0.55 -0.57 2.06 0.05 -1.99 -2.74 116.94 114.31 3h25 h PHE 82 Ca 0.00 -0.29 -0.08 0.00 3.82 0.00 0.00 57.97 61.42 3h25 h PHE 82 Cb 0.59 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.45 3h25 h PHE 82 CO 0.00 1.10 0.04 -0.44 -0.18 0.00 0.00 178.31 178.83 3h25 h ASP 83 N 0.22 0.92 -0.60 2.17 3.32 -1.84 -1.37 116.42 119.25 3h25 h ASP 83 Ca -0.07 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 3h25 h ASP 83 Cb 1.52 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3h25 h ASP 83 CO 0.15 0.96 0.12 -0.07 -1.72 0.00 0.00 179.24 178.69 3h25 h LEU 84 N 0.89 0.96 -0.91 1.55 3.38 -1.45 -0.25 115.31 119.48 3h25 h LEU 84 Ca 0.17 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3h25 h LEU 84 Cb 0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3h25 h LEU 84 CO 0.02 0.94 -0.02 0.44 0.09 0.00 0.00 178.44 179.91 3h25 h ASP 85 N 0.96 0.75 -0.32 -0.43 5.19 -1.23 -1.22 116.42 120.12 3h25 h ASP 85 Ca 0.20 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3h25 h ASP 85 Cb 0.38 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3h25 h ASP 85 CO 0.01 0.83 -0.00 0.44 -3.12 0.00 0.00 179.24 177.39 3h25 h ASP 86 N 0.72 0.55 -0.07 6.45 3.32 -0.87 -1.80 116.42 124.73 3h25 h ASP 86 Ca 0.14 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.90 3h25 h ASP 86 Cb 0.47 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3h25 h ASP 86 CO 0.02 0.73 -0.04 0.24 -1.72 0.00 0.00 179.24 178.47 3h25 h MET 87 N 0.37 -0.04 -0.42 3.56 2.86 -0.86 -1.36 114.93 119.02 3h25 h MET 87 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3h25 h MET 87 Cb 0.44 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3h25 h MET 87 CO 0.02 -0.03 0.17 0.87 1.06 0.00 0.00 176.91 179.00 3h25 h LYS 88 N -0.05 0.60 0.00 1.72 1.57 -1.22 0.34 116.57 119.54 3h25 h LYS 88 Ca 0.04 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3h25 h LYS 88 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3h25 h LYS 88 CO -0.10 0.49 -0.01 0.00 -0.57 0.00 0.00 179.45 179.27 3h25 h ALA 89 N 1.60 0.99 -0.31 3.86 0.00 -0.98 -3.28 119.26 121.13 3h25 h ALA 89 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3h25 h ALA 89 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h25 h ALA 89 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 3h25 n GLU 90 N -2.31 2.59 -0.62 0.00 1.02 -0.54 -4.97 120.64 115.81 3h25 n GLU 90 Ca 0.05 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.24 3h25 n GLU 90 Cb 0.44 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3h25 n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h25 n GLY 91 N 0.56 0.69 2.53 0.62 0.00 -0.95 -4.80 105.19 103.83 3h25 n GLY 91 Ca 0.11 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3h25 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h25 n ARG 92 N -2.62 2.92 -1.69 1.61 3.00 0.12 -0.42 116.66 119.58 3h25 n ARG 92 Ca 0.00 -3.63 -0.42 0.00 -0.01 0.00 0.00 57.85 53.79 3h25 n ARG 92 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 32.46 30.15 3h25 n ARG 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3h25 n GLU 93 N -0.70 2.83 -1.81 5.56 4.71 -1.24 -4.32 120.64 125.68 3h25 n GLU 93 Ca 0.54 1.03 -0.34 0.00 -0.01 0.00 0.00 57.16 58.38 3h25 n GLU 93 Cb 0.54 -2.93 0.05 0.00 -1.01 0.00 0.00 31.44 28.08 3h25 n GLU 93 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 3h25 s PRO 94 N 2.79 2.77 0.23 3.49 0.02 -1.26 -4.32 135.00 138.72 3h25 s PRO 94 Ca 0.82 1.57 0.12 0.00 0.02 0.00 0.00 61.00 63.53 3h25 s PRO 94 Cb -0.47 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.09 3h25 s PRO 94 CO 0.37 -1.31 1.39 0.00 -0.33 0.00 0.00 177.00 177.12 3h25 h ALA 95 N 0.28 0.57 -1.98 -1.55 0.00 0.80 -3.43 119.26 113.95 3h25 h ALA 95 Ca -0.48 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 53.77 3h25 h ALA 95 Cb 1.27 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 3h25 h ALA 95 CO 0.54 0.83 0.20 -0.48 0.00 0.00 0.00 179.25 180.33 3h25 s LEU 96 N -6.54 -0.66 -0.11 0.00 2.34 -1.18 -0.70 118.68 111.82 3h25 s LEU 96 Ca 0.03 0.86 0.02 0.00 0.06 0.00 0.00 54.13 55.10 3h25 s LEU 96 Cb 0.08 2.49 -0.01 0.00 -0.56 0.00 0.00 46.19 48.20 3h25 s LEU 96 CO 0.77 -0.52 -0.19 -0.69 -1.06 0.00 0.00 176.35 174.66 3h25 s VAL 97 N -0.84 2.50 -0.15 1.48 1.01 0.62 -2.11 120.40 122.92 3h25 s VAL 97 Ca -0.08 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3h25 s VAL 97 Cb -0.01 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3h25 s VAL 97 CO 0.08 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.83 3h25 s VAL 98 N 0.36 1.94 -0.67 2.92 1.01 -0.09 -0.90 120.40 124.96 3h25 s VAL 98 Ca -0.15 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.69 3h25 s VAL 98 Cb -0.17 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.52 3h25 s VAL 98 CO 0.07 0.52 1.09 -0.70 0.00 0.00 0.00 175.10 176.09 3h25 s GLU 99 N 1.05 3.18 0.14 2.72 2.12 0.12 -1.08 118.70 126.95 3h25 s GLU 99 Ca -0.02 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 3h25 s GLU 99 Cb -0.14 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.05 3h25 s GLU 99 CO -0.06 -1.90 1.52 1.79 -0.54 0.00 0.00 175.26 176.07 3h25 h THR 100 N 6.01 1.27 -3.38 -1.70 1.35 -1.31 -2.23 112.91 112.92 3h25 h THR 100 Ca -0.28 -1.38 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 3h25 h THR 100 Cb 1.06 1.22 -0.15 0.00 -1.73 0.00 0.00 68.15 68.55 3h25 h THR 100 CO 1.21 0.47 -0.17 -0.94 -0.25 0.00 0.00 175.52 175.84 3h25 s SER 101 N -6.66 -0.16 -0.38 5.36 1.04 -1.20 -4.61 113.70 107.10 3h25 s SER 101 Ca -0.12 -0.29 -0.40 0.00 0.48 0.00 0.00 55.95 55.62 3h25 s SER 101 Cb 0.11 0.42 -0.17 0.00 0.10 0.00 0.00 66.02 66.48 3h25 s SER 101 CO 0.86 -0.75 1.34 -2.65 0.98 0.00 0.00 173.24 173.02 3h25 n PRO 102 N 0.10 0.00 -1.50 4.02 -0.02 -1.26 0.32 135.00 136.67 3h25 n PRO 102 Ca -0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.14 3h25 n PRO 102 Cb 0.62 -1.31 -0.07 0.00 -0.02 0.00 0.00 33.50 32.72 3h25 n PRO 102 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3h25 n LYS 103 N 3.22 -1.28 -4.77 -0.52 5.02 -1.26 -4.98 118.16 113.59 3h25 n LYS 103 Ca 0.26 1.10 -0.29 0.00 -2.02 0.00 0.00 58.31 57.35 3h25 n LYS 103 Cb -0.04 -5.36 -0.17 0.00 -0.02 0.00 0.00 35.03 29.44 3h25 n LYS 103 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3h25 s ASN 104 N -2.77 2.60 0.21 4.39 0.01 0.15 -4.88 114.94 114.66 3h25 s ASN 104 Ca 0.00 -0.47 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 3h25 s ASN 104 Cb 0.00 -1.19 -0.05 0.00 0.41 0.00 0.00 41.25 40.42 3h25 s ASN 104 CO 0.00 0.08 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.23 3h25 s TYR 105 N 0.67 1.71 0.06 2.20 2.02 -0.72 -0.90 117.35 122.40 3h25 s TYR 105 Ca -0.13 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 55.90 3h25 s TYR 105 Cb -0.16 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 3h25 s TYR 105 CO 0.03 0.33 0.14 1.14 -1.57 0.00 0.00 175.55 175.62 3h25 s GLN 106 N -3.66 0.71 0.01 -0.62 -2.07 -0.24 -0.42 119.66 113.37 3h25 s GLN 106 Ca 0.23 -0.86 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 3h25 s GLN 106 Cb 0.00 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.19 3h25 s GLN 106 CO 0.07 -0.20 -0.03 0.00 -1.32 0.00 0.00 175.29 173.81 3h25 s ALA 107 N -3.22 0.22 -0.20 2.60 0.00 0.35 -0.92 121.76 120.58 3h25 s ALA 107 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 3h25 s ALA 107 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3h25 s ALA 107 CO -0.07 -0.04 0.09 -1.58 0.00 0.00 0.00 175.76 174.16 3h25 s TRP 108 N -0.75 3.26 -0.18 0.00 0.52 -0.89 0.05 118.94 120.95 3h25 s TRP 108 Ca -0.07 0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 3h25 s TRP 108 Cb -0.05 -2.14 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 3h25 s TRP 108 CO -0.00 0.10 -0.07 0.08 0.02 0.00 0.00 176.95 177.08 3h25 s VAL 109 N 0.63 3.36 -0.30 4.03 1.01 0.88 0.13 120.40 130.15 3h25 s VAL 109 Ca 0.05 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3h25 s VAL 109 Cb -0.13 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3h25 s VAL 109 CO 0.01 0.47 0.44 -0.75 0.00 0.00 0.00 175.10 175.27 3h25 s LYS 110 N 0.90 3.88 -0.05 2.72 2.20 -1.26 -0.29 119.74 127.84 3h25 s LYS 110 Ca -0.01 0.01 0.19 0.00 -0.36 0.00 0.00 55.97 55.79 3h25 s LYS 110 Cb -0.15 -3.71 -0.24 0.00 -1.51 0.00 0.00 37.83 32.23 3h25 s LYS 110 CO 0.01 -0.42 0.46 1.33 -0.36 0.00 0.00 175.35 176.37 3h25 n VAL 111 N 5.22 0.85 -3.78 4.02 0.24 -0.39 -0.61 118.33 123.88 3h25 n VAL 111 Ca -0.07 -0.68 -0.04 0.00 -2.04 0.00 0.00 64.34 61.51 3h25 n VAL 111 Cb 0.50 -0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 3h25 n VAL 111 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h25 s ALA 112 N -2.98 -1.56 0.41 2.33 0.00 -1.26 -3.00 121.76 115.70 3h25 s ALA 112 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 51.96 52.01 3h25 s ALA 112 Cb 0.10 0.68 0.86 0.00 0.00 0.00 0.00 23.12 24.76 3h25 s ALA 112 CO 0.85 -1.04 1.93 -0.44 0.00 0.00 0.00 175.76 177.05 3h25 h ASP 113 N 2.00 0.08 -3.56 0.00 3.32 -1.93 -3.06 116.42 113.27 3h25 h ASP 113 Ca -0.24 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 3h25 h ASP 113 Cb 1.23 -0.02 -0.25 0.00 0.22 0.00 0.00 39.33 40.51 3h25 h ASP 113 CO 0.26 0.30 -0.24 0.00 -1.72 0.00 0.00 179.24 177.84 3h25 s ALA 114 N -4.56 -1.10 -0.12 3.45 0.00 -1.26 -3.85 121.76 114.31 3h25 s ALA 114 Ca -0.04 1.42 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 3h25 s ALA 114 Cb 0.15 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3h25 s ALA 114 CO 0.72 -0.24 0.35 0.00 0.00 0.00 0.00 175.76 176.58 3h25 s ALA 115 N 0.81 -0.86 0.76 0.00 0.00 0.39 -4.76 121.76 118.11 3h25 s ALA 115 Ca -0.05 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 3h25 s ALA 115 Cb -0.06 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.64 3h25 s ALA 115 CO -0.06 -0.18 1.13 0.20 0.00 0.00 0.00 175.76 176.85 3h25 s GLY 116 N -0.03 1.95 0.38 0.00 0.00 -1.26 -4.54 107.32 103.82 3h25 s GLY 116 Ca -0.02 0.54 0.08 0.00 0.00 0.00 0.00 44.72 45.31 3h25 s GLY 116 CO 0.01 0.91 1.96 -1.33 0.00 0.00 0.00 173.10 174.65 3h25 h GLY 117 N -0.79 0.89 1.69 0.20 0.00 -1.96 -0.58 103.07 102.53 3h25 h GLY 117 Ca -0.45 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.49 3h25 h GLY 117 CO 0.50 0.19 -0.39 -2.09 0.00 0.00 0.00 176.54 174.74 3h25 h GLU 118 N 0.68 0.35 -0.00 4.80 4.81 -1.99 0.16 114.58 123.39 3h25 h GLU 118 Ca 0.31 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 3h25 h GLU 118 Cb 0.33 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.72 3h25 h GLU 118 CO -0.10 0.69 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.52 3h25 h LEU 119 N 0.29 0.25 -1.75 1.64 3.38 -1.76 -3.00 115.31 114.36 3h25 h LEU 119 Ca 0.03 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.22 3h25 h LEU 119 Cb 0.83 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3h25 h LEU 119 CO 0.07 0.99 0.07 0.03 0.09 0.00 0.00 178.44 179.69 3h25 h ARG 120 N -0.47 0.23 -0.39 1.13 3.08 -1.05 -0.88 114.38 116.04 3h25 h ARG 120 Ca -0.03 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 3h25 h ARG 120 Cb 1.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3h25 h ARG 120 CO 0.05 0.20 -0.26 0.78 -1.07 0.00 0.00 179.97 179.67 3h25 h GLY 121 N 0.34 0.93 0.82 0.04 0.00 -0.76 -1.66 103.07 102.78 3h25 h GLY 121 Ca 0.06 -0.88 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 3h25 h GLY 121 CO -0.01 0.80 -0.07 -1.61 0.00 0.00 0.00 176.54 175.65 3h25 h GLN 122 N 0.66 0.43 -0.66 4.80 5.75 -1.29 -2.87 115.11 121.94 3h25 h GLN 122 Ca 0.08 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.37 3h25 h GLN 122 Cb 0.83 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 3h25 h GLN 122 CO 0.07 0.69 0.28 0.82 -2.65 0.00 0.00 178.83 178.04 3h25 h ILE 123 N 0.15 1.23 -0.83 2.39 2.04 -1.21 -1.96 117.51 119.32 3h25 h ILE 123 Ca 0.05 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3h25 h ILE 123 Cb 0.54 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3h25 h ILE 123 CO 0.03 0.28 0.52 0.00 0.00 0.00 0.00 178.15 178.98 3h25 h ALA 124 N 1.35 1.06 -0.36 1.87 0.00 -1.27 0.15 119.26 122.07 3h25 h ALA 124 Ca 0.23 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3h25 h ALA 124 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h25 h ALA 124 CO -0.02 0.50 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 3h25 h ARG 125 N 1.14 0.73 -0.15 0.00 3.08 -1.24 -1.80 114.38 116.14 3h25 h ARG 125 Ca 0.30 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3h25 h ARG 125 Cb -0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3h25 h ARG 125 CO -0.06 0.92 -0.16 1.15 -1.07 0.00 0.00 179.97 180.75 3h25 h THR 126 N 0.63 1.34 -0.35 2.04 2.02 -1.00 -2.69 112.91 114.90 3h25 h THR 126 Ca 0.08 -1.32 -0.06 0.00 0.77 0.00 0.00 66.41 65.88 3h25 h THR 126 Cb 0.77 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3h25 h THR 126 CO 0.06 0.39 -0.03 -0.07 0.37 0.00 0.00 175.52 176.25 3h25 h LEU 127 N 0.01 0.53 -0.80 2.58 3.38 -0.69 0.32 115.31 120.64 3h25 h LEU 127 Ca 0.02 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3h25 h LEU 127 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3h25 h LEU 127 CO 0.04 0.62 -0.33 0.00 0.09 0.00 0.00 178.44 178.85 3h25 h ALA 128 N 1.45 0.97 -0.00 1.53 0.00 -1.35 -2.94 119.26 118.92 3h25 h ALA 128 Ca 0.11 -0.40 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 3h25 h ALA 128 Cb 0.38 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h25 h ALA 128 CO 0.02 0.61 -1.03 1.03 0.00 0.00 0.00 179.25 179.87 3h25 h SER 129 N 0.44 0.88 -0.16 0.00 0.87 -1.09 0.26 113.55 114.73 3h25 h SER 129 Ca 0.05 -0.70 -0.01 0.00 -1.23 0.00 0.00 61.79 59.90 3h25 h SER 129 Cb 0.79 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3h25 h SER 129 CO 0.06 1.50 0.08 -0.33 -0.53 0.00 0.00 176.83 177.61 3h25 h GLU 130 N 0.38 0.29 0.00 2.24 5.08 -0.89 -3.23 114.58 118.45 3h25 h GLU 130 Ca -0.12 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3h25 h GLU 130 Cb 1.68 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.77 3h25 h GLU 130 CO 0.20 0.25 -0.53 0.66 -1.00 0.00 0.00 179.01 178.59 3h25 n TYR 131 N -4.44 0.00 -4.12 4.33 4.01 -1.12 -5.00 117.16 110.82 3h25 n TYR 131 Ca 0.00 -0.88 -0.34 0.00 -0.16 0.00 0.00 57.90 56.52 3h25 n TYR 131 Cb 0.13 -0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 38.98 3h25 n TYR 131 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3h25 n ASP 132 N -0.57 -3.65 -4.89 7.72 8.00 -0.97 -4.96 116.55 117.22 3h25 n ASP 132 Ca 0.12 -0.94 -0.29 0.00 0.71 0.00 0.00 54.79 54.39 3h25 n ASP 132 Cb 0.80 -3.12 0.06 0.00 -0.02 0.00 0.00 41.12 38.84 3h25 n ASP 132 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h25 s ALA 133 N -3.32 2.88 -0.18 2.24 0.00 0.86 -4.96 121.76 119.28 3h25 s ALA 133 Ca 0.69 -0.50 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 3h25 s ALA 133 Cb -0.36 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3h25 s ALA 133 CO 0.90 -1.27 1.96 0.34 0.00 0.00 0.00 175.76 177.69 3h25 s ASP 134 N -4.43 5.94 0.51 0.00 2.15 -0.67 -4.76 116.67 115.42 3h25 s ASP 134 Ca 0.59 1.91 0.26 0.00 0.43 0.00 0.00 52.55 55.74 3h25 s ASP 134 Cb -0.11 -2.52 1.35 0.00 -0.30 0.00 0.00 42.92 41.34 3h25 s ASP 134 CO 0.50 -1.57 2.03 -0.65 -0.17 0.00 0.00 175.17 175.31 3h25 h PRO 135 N 12.80 0.00 -0.15 4.34 0.11 -1.91 -2.10 132.00 145.08 3h25 h PRO 135 Ca -0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 3h25 h PRO 135 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3h25 h PRO 135 CO 0.98 0.14 -0.27 0.00 -0.21 0.00 0.00 178.00 178.63 3h25 h ALA 136 N 1.86 1.26 -0.00 -0.75 0.00 -2.00 -2.74 119.26 116.88 3h25 h ALA 136 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3h25 h ALA 136 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3h25 h ALA 136 CO 0.02 0.50 0.00 0.43 0.00 0.00 0.00 179.25 180.19 3h25 n SER 137 N -4.14 0.29 -4.42 0.00 7.64 -0.79 -4.59 113.62 107.61 3h25 n SER 137 Ca -0.01 -1.11 -0.44 0.00 1.01 0.00 0.00 58.87 58.33 3h25 n SER 137 Cb 0.38 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 3h25 n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h25 n ALA 138 N -0.77 3.99 -3.05 -0.43 0.00 -1.04 -4.75 120.51 114.46 3h25 n ALA 138 Ca 0.23 -4.30 -0.11 0.00 0.00 0.00 0.00 53.44 49.25 3h25 n ALA 138 Cb 0.16 -2.98 -0.06 0.00 0.00 0.00 0.00 19.45 16.57 3h25 n ALA 138 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3h25 s ASP 139 N 2.53 -0.24 0.00 0.00 1.47 -1.26 -4.62 116.67 114.56 3h25 s ASP 139 Ca 0.41 -0.18 0.11 0.00 1.18 0.00 0.00 52.55 54.07 3h25 s ASP 139 Cb -0.03 0.44 0.60 0.00 -0.34 0.00 0.00 42.92 43.59 3h25 s ASP 139 CO -0.01 -0.75 1.16 -1.54 0.68 0.00 0.00 175.17 174.71 3h25 n SER 140 N 0.15 0.00 -0.37 2.11 3.41 -1.26 -2.59 113.62 115.08 3h25 n SER 140 Ca -0.17 -0.12 0.04 0.00 -0.26 0.00 0.00 58.87 58.36 3h25 n SER 140 Cb 0.62 -0.14 0.06 0.00 -0.26 0.00 0.00 64.21 64.49 3h25 n SER 140 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3h25 n ARG 141 N -1.14 0.50 -2.39 4.33 3.00 -1.26 -4.96 116.66 114.75 3h25 n ARG 141 Ca 0.07 -1.65 -0.40 0.00 -0.01 0.00 0.00 57.85 55.85 3h25 n ARG 141 Cb 0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.60 3h25 n ARG 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3h25 s HIS 142 N -1.13 3.45 0.18 -1.55 2.46 -1.07 -5.00 115.29 112.63 3h25 s HIS 142 Ca 0.13 1.62 -0.30 0.00 0.47 0.00 0.00 55.06 56.98 3h25 s HIS 142 Cb 0.12 -3.38 -0.08 0.00 -0.13 0.00 0.00 32.58 29.11 3h25 s HIS 142 CO 0.01 -0.89 1.08 0.71 -2.47 0.00 0.00 174.74 173.17 3h25 s TYR 143 N -1.09 3.63 0.23 3.88 2.02 -1.26 -4.83 117.35 119.93 3h25 s TYR 143 Ca 0.46 1.64 0.06 0.00 -0.37 0.00 0.00 57.07 58.86 3h25 s TYR 143 Cb -0.34 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 37.95 3h25 s TYR 143 CO 0.44 -0.47 0.18 0.20 -1.57 0.00 0.00 175.55 174.32 3h25 s GLY 144 N -0.17 1.50 0.31 0.71 0.00 0.22 -4.89 107.32 105.00 3h25 s GLY 144 Ca 0.49 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 3h25 s GLY 144 CO 0.34 -1.39 1.23 0.50 0.00 0.00 0.00 173.10 173.79 3h25 s ARG 145 N -3.63 4.46 -0.29 2.90 1.81 -1.26 0.15 118.95 123.08 3h25 s ARG 145 Ca 0.32 2.07 -0.16 0.00 -1.72 0.00 0.00 55.73 56.24 3h25 s ARG 145 Cb -0.08 -3.11 -0.03 0.00 -0.45 0.00 0.00 34.95 31.28 3h25 s ARG 145 CO 0.24 -0.05 0.42 -1.17 -0.68 0.00 0.00 175.30 174.06 3h25 s LEU 146 N -1.65 4.15 0.65 2.53 2.96 -0.85 -4.65 118.68 121.81 3h25 s LEU 146 Ca 0.47 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 54.40 3h25 s LEU 146 Cb -0.37 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 43.84 3h25 s LEU 146 CO 0.49 -0.27 1.18 0.00 -1.32 0.00 0.00 176.35 176.42 3h25 s ALA 147 N 2.16 2.41 0.00 5.97 0.00 -1.26 -3.77 121.76 127.27 3h25 s ALA 147 Ca 0.16 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3h25 s ALA 147 Cb -0.16 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3h25 s ALA 147 CO 0.11 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.90 3h25 n GLY 148 N 0.20 0.65 3.36 0.00 0.00 -0.53 -3.95 105.19 104.91 3h25 n GLY 148 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 3h25 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h25 s PHE 149 N -2.02 1.81 0.21 1.61 0.08 -1.25 -4.62 117.98 113.80 3h25 s PHE 149 Ca 0.00 -0.52 -0.28 0.00 0.12 0.00 0.00 56.93 56.25 3h25 s PHE 149 Cb 0.00 -0.84 -0.08 0.00 -0.57 0.00 0.00 43.02 41.52 3h25 s PHE 149 CO 0.00 0.40 0.89 0.99 -0.10 0.00 0.00 175.22 177.40 3h25 s THR 150 N -2.70 4.20 -0.28 0.64 2.01 -1.26 0.00 115.64 118.25 3h25 s THR 150 Ca 0.22 1.96 -0.29 0.00 0.31 0.00 0.00 61.69 63.89 3h25 s THR 150 Cb -0.02 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.23 3h25 s THR 150 CO 0.08 0.49 1.13 0.21 -0.69 0.00 0.00 174.62 175.84 3h25 s ASN 151 N -1.08 6.92 0.07 3.53 3.84 0.30 -4.77 114.94 123.76 3h25 s ASN 151 Ca 0.40 1.21 0.19 0.00 0.21 0.00 0.00 52.86 54.87 3h25 s ASN 151 Cb -0.25 -2.54 -0.14 0.00 -0.55 0.00 0.00 41.25 37.77 3h25 s ASN 151 CO 0.30 -0.86 0.78 0.54 -2.79 0.00 0.00 177.10 175.07 3h25 n ARG 152 N 6.81 0.63 -0.03 0.43 5.12 -1.26 -4.24 116.66 124.11 3h25 n ARG 152 Ca 0.13 0.12 -0.15 0.00 -1.93 0.00 0.00 57.85 56.01 3h25 n ARG 152 Cb 0.47 -1.75 -0.10 0.00 -1.16 0.00 0.00 32.46 29.91 3h25 n ARG 152 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3h25 h LYS 153 N 0.00 0.25 -6.91 5.56 6.56 -1.97 -3.43 116.57 116.63 3h25 h LYS 153 Ca -0.13 -0.22 -0.52 0.00 -1.06 0.00 0.00 60.65 58.73 3h25 h LYS 153 Cb 1.39 0.05 0.06 0.00 -0.57 0.00 0.00 32.23 33.16 3h25 h LYS 153 CO 0.03 0.89 0.56 -0.51 -2.06 0.00 0.00 179.45 178.36 3h25 s ASP 154 N -6.31 6.63 -0.26 0.86 1.01 -1.26 -5.20 116.67 112.14 3h25 s ASP 154 Ca -0.15 2.51 0.00 0.00 0.71 0.00 0.00 52.55 55.62 3h25 s ASP 154 Cb 0.02 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3h25 s ASP 154 CO 0.76 -0.61 0.00 2.29 0.21 0.00 0.00 175.17 177.81 3h25 n LYS 155 N 0.43 -0.21 -4.76 8.23 2.85 -1.26 -4.75 118.16 118.69 3h25 n LYS 155 Ca 0.02 0.33 -0.33 0.00 -1.05 0.00 0.00 58.31 57.28 3h25 n LYS 155 Cb 0.44 -3.97 -0.14 0.00 -0.65 0.00 0.00 35.03 30.71 3h25 n LYS 155 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 3h25 s GLN 163 N -3.35 3.36 0.33 -1.58 0.74 -1.26 -5.13 119.66 112.76 3h25 s GLN 163 Ca 0.00 -0.68 -0.27 0.00 0.05 0.00 0.00 55.36 54.47 3h25 s GLN 163 Cb 0.00 -2.63 -0.09 0.00 1.10 0.00 0.00 33.01 31.38 3h25 s GLN 163 CO 0.00 0.24 1.03 -1.25 -0.55 0.00 0.00 175.29 174.76 3h25 s PRO 164 N 0.29 4.48 0.23 1.67 0.04 -1.26 -4.76 135.00 135.69 3h25 s PRO 164 Ca -0.09 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3h25 s PRO 164 Cb -0.16 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 3h25 s PRO 164 CO 0.05 0.13 1.16 -1.58 0.04 0.00 0.00 177.00 176.80 3h25 s TRP 165 N -1.43 3.48 -0.11 0.56 0.52 -1.26 -0.54 118.94 120.16 3h25 s TRP 165 Ca 0.50 1.54 -0.30 0.00 0.02 0.00 0.00 56.10 57.87 3h25 s TRP 165 Cb -0.25 -3.38 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 3h25 s TRP 165 CO 0.32 -0.94 1.10 0.08 0.02 0.00 0.00 176.95 177.53 3h25 s VAL 166 N -0.55 4.54 -0.02 4.03 1.01 0.10 -4.85 120.40 124.66 3h25 s VAL 166 Ca 0.49 1.84 0.04 0.00 0.00 0.00 0.00 61.98 64.35 3h25 s VAL 166 Cb -0.32 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 3h25 s VAL 166 CO 0.39 -0.03 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 3h25 s LEU 167 N 2.33 2.75 -0.55 3.92 1.43 -0.84 -1.46 118.68 126.26 3h25 s LEU 167 Ca 0.51 -0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 3h25 s LEU 167 Cb -0.20 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.51 3h25 s LEU 167 CO 0.18 0.32 0.70 -0.22 0.23 0.00 0.00 176.35 177.55 3h25 s LEU 168 N -0.98 4.97 -0.03 1.79 2.96 -1.26 0.16 118.68 126.29 3h25 s LEU 168 Ca 0.13 -1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 52.79 3h25 s LEU 168 Cb -0.11 -2.44 -0.17 0.00 0.50 0.00 0.00 46.19 43.98 3h25 s LEU 168 CO 0.02 -1.02 1.06 0.03 -1.32 0.00 0.00 176.35 175.12 3h25 h ARG 169 N 9.12 -0.21 -3.78 1.98 2.47 -1.39 -3.47 114.38 119.10 3h25 h ARG 169 Ca -0.28 0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.32 3h25 h ARG 169 Cb 1.09 0.05 -0.18 0.00 -1.65 0.00 0.00 29.97 29.28 3h25 h ARG 169 CO 1.03 0.22 -0.53 -1.83 0.56 0.00 0.00 179.97 179.42 3h25 s GLU 170 N -3.93 0.57 -0.44 0.04 -1.05 -1.21 -4.98 118.70 107.71 3h25 s GLU 170 Ca -0.14 -0.71 0.08 0.00 -0.15 0.00 0.00 54.97 54.05 3h25 s GLU 170 Cb 0.01 0.22 0.33 0.00 -0.44 0.00 0.00 34.13 34.26 3h25 s GLU 170 CO 0.54 -0.14 1.06 -1.13 0.95 0.00 0.00 175.26 176.54 3h25 n SER 171 N 0.87 -1.66 0.10 0.83 3.41 -1.26 -0.28 113.62 115.63 3h25 n SER 171 Ca -0.20 -3.48 -0.05 0.00 -0.26 0.00 0.00 58.87 54.88 3h25 n SER 171 Cb 0.58 1.36 0.09 0.00 -0.26 0.00 0.00 64.21 65.97 3h25 n SER 171 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3h25 h LYS 172 N 2.94 0.16 -0.20 4.33 -0.00 -1.81 -3.43 116.57 118.56 3h25 h LYS 172 Ca -0.07 -0.13 -0.09 0.00 -0.00 0.00 0.00 60.65 60.36 3h25 h LYS 172 Cb 1.09 0.03 -0.03 0.00 -0.00 0.00 0.00 32.23 33.31 3h25 h LYS 172 CO 0.19 0.79 -0.08 0.41 -0.00 0.00 0.00 179.45 180.77 3h25 n GLY 173 N 0.47 0.64 3.83 0.07 0.00 0.13 -4.99 105.19 105.33 3h25 n GLY 173 Ca -0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3h25 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h25 s LYS 174 N -1.74 4.18 0.27 1.61 3.01 -1.26 -4.96 119.74 120.84 3h25 s LYS 174 Ca 0.00 0.83 -0.31 0.00 -1.01 0.00 0.00 55.97 55.49 3h25 s LYS 174 Cb 0.00 -2.68 -0.12 0.00 -1.01 0.00 0.00 37.83 34.02 3h25 s LYS 174 CO 0.00 0.29 1.58 2.41 0.51 0.00 0.00 175.35 180.13 3h25 n THR 175 N 0.27 0.89 -1.82 2.17 -1.04 -1.26 -4.50 114.28 108.98 3h25 n THR 175 Ca 0.00 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 3h25 n THR 175 Cb 0.52 -1.87 0.03 0.00 -1.82 0.00 0.00 70.33 67.19 3h25 n THR 175 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h25 s ALA 176 N 0.12 2.93 0.25 2.41 0.00 0.22 -4.92 121.76 122.78 3h25 s ALA 176 Ca 0.66 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.90 3h25 s ALA 176 Cb -0.53 -3.56 0.26 0.00 0.00 0.00 0.00 23.12 19.30 3h25 s ALA 176 CO 0.47 -1.28 1.92 1.15 0.00 0.00 0.00 175.76 178.02 3h25 h THR 177 N 1.67 1.24 -0.02 0.00 2.02 -1.82 -0.51 112.91 115.49 3h25 h THR 177 Ca -0.51 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3h25 h THR 177 Cb 1.29 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3h25 h THR 177 CO 0.58 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.72 3h25 n ALA 178 N -2.37 2.64 -0.01 6.16 0.00 0.44 -4.47 120.51 122.89 3h25 n ALA 178 Ca 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 3h25 n ALA 178 Cb 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 3h25 n ALA 178 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3h25 h GLY 179 N 5.04 -1.60 0.46 0.00 0.00 -1.29 0.46 103.07 106.15 3h25 h GLY 179 Ca 0.00 0.74 0.16 0.00 0.00 0.00 0.00 47.33 48.23 3h25 h GLY 179 CO 0.00 -0.56 0.57 -2.55 0.00 0.00 0.00 176.54 174.00 3h25 h PRO 180 N -0.11 0.56 -0.39 4.80 0.11 -1.75 -1.99 132.00 133.24 3h25 h PRO 180 Ca 0.01 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 3h25 h PRO 180 Cb 0.14 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3h25 h PRO 180 CO -0.11 0.37 -0.37 0.00 -0.21 0.00 0.00 178.00 177.68 3h25 h ALA 181 N 1.61 0.59 -0.32 -0.75 0.00 -1.69 -2.40 119.26 116.31 3h25 h ALA 181 Ca 0.45 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3h25 h ALA 181 Cb 0.88 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3h25 h ALA 181 CO -0.20 0.68 -0.01 -0.07 0.00 0.00 0.00 179.25 179.65 3h25 h LEU 182 N 0.77 0.46 -0.22 0.00 3.38 0.64 -1.16 115.31 119.17 3h25 h LEU 182 Ca 0.07 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3h25 h LEU 182 Cb 0.96 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3h25 h LEU 182 CO 0.09 0.53 -0.34 0.58 0.09 0.00 0.00 178.44 179.40 3h25 h VAL 183 N 0.47 1.32 -0.56 1.22 2.07 -1.37 -2.31 116.25 117.10 3h25 h VAL 183 Ca 0.10 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.07 3h25 h VAL 183 Cb 0.32 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3h25 h VAL 183 CO 0.01 0.48 0.35 1.56 0.02 0.00 0.00 177.57 179.99 3h25 h GLN 184 N 0.31 0.75 -0.27 1.57 4.20 -1.11 -1.54 115.11 119.02 3h25 h GLN 184 Ca 0.02 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3h25 h GLN 184 Cb 0.93 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 3h25 h GLN 184 CO 0.08 0.53 -0.24 0.37 -0.67 0.00 0.00 178.83 178.90 3h25 h GLN 185 N 0.75 0.64 -0.80 1.46 4.15 -1.27 -2.76 115.11 117.29 3h25 h GLN 185 Ca 0.20 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 3h25 h GLN 185 Cb -0.04 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 3h25 h GLN 185 CO -0.04 0.93 0.36 0.00 -1.93 0.00 0.00 178.83 178.15 3h25 h ALA 186 N 0.70 1.13 -0.48 3.38 0.00 -1.33 -1.29 119.26 121.37 3h25 h ALA 186 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h25 h ALA 186 Cb 0.80 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3h25 h ALA 186 CO 0.06 0.64 0.30 0.78 0.00 0.00 0.00 179.25 181.04 3h25 h GLY 187 N 1.16 0.68 0.91 0.00 0.00 -1.22 0.13 103.07 104.73 3h25 h GLY 187 Ca 0.27 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3h25 h GLY 187 CO -0.03 0.21 0.02 1.46 0.00 0.00 0.00 176.54 178.20 3h25 h GLN 188 N 0.61 0.60 -0.66 4.80 1.08 -1.24 -2.11 115.11 118.19 3h25 h GLN 188 Ca 0.19 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3h25 h GLN 188 Cb -0.02 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.32 3h25 h GLN 188 CO -0.07 0.71 0.32 1.96 -0.95 0.00 0.00 178.83 180.80 3h25 h GLN 189 N 0.42 0.92 -0.01 1.46 4.20 -1.06 -0.36 115.11 120.68 3h25 h GLN 189 Ca 0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3h25 h GLN 189 Cb 0.42 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3h25 h GLN 189 CO 0.01 0.71 -0.00 0.82 -0.67 0.00 0.00 178.83 179.70 3h25 h ILE 190 N 0.92 1.33 0.00 2.54 2.04 -0.87 -2.40 117.51 121.06 3h25 h ILE 190 Ca 0.23 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.05 3h25 h ILE 190 Cb 0.08 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3h25 h ILE 190 CO -0.03 0.25 -0.35 1.05 0.00 0.00 0.00 178.15 179.08 3h25 h GLU 191 N -0.38 0.00 -0.21 2.37 4.11 -1.28 0.12 114.58 119.30 3h25 h GLU 191 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 3h25 h GLU 191 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3h25 h GLU 191 CO 0.00 0.35 -0.52 1.96 0.07 0.00 0.00 179.01 180.87 3h25 h GLN 192 N 0.00 0.61 -0.03 1.06 1.08 -1.11 -0.17 115.11 116.55 3h25 h GLN 192 Ca -0.00 -0.37 -0.14 0.00 -1.45 0.00 0.00 58.65 56.68 3h25 h GLN 192 Cb 0.91 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 3h25 h GLN 192 CO 0.05 0.98 -0.64 0.00 -0.95 0.00 0.00 178.83 178.26 3h25 h ALA 193 N 0.95 0.87 -0.09 3.87 0.00 -1.04 -2.72 119.26 121.10 3h25 h ALA 193 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 3h25 h ALA 193 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3h25 h ALA 193 CO 0.10 0.78 -0.54 -0.56 0.00 0.00 0.00 179.25 179.03 3h25 h GLN 194 N 0.09 0.25 -0.04 0.00 -0.00 -0.62 -2.93 115.11 111.85 3h25 h GLN 194 Ca -0.01 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.65 58.39 3h25 h GLN 194 Cb 1.15 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 28.63 3h25 h GLN 194 CO 0.09 0.72 -0.44 0.00 -0.00 0.00 0.00 178.83 179.20 3h25 h ARG 195 N 0.19 0.10 -3.72 0.06 -0.00 -0.94 -3.29 114.38 106.78 3h25 h ARG 195 Ca 0.00 -0.05 -0.70 0.00 -0.50 0.00 0.00 59.98 58.74 3h25 h ARG 195 Cb 1.01 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.96 3h25 h ARG 195 CO 0.08 0.52 3.33 1.04 0.00 0.00 0.00 179.97 184.95 3h25 n GLN 196 N -4.01 3.07 -0.06 0.04 1.13 -1.03 -4.34 117.38 112.18 3h25 n GLN 196 Ca -0.02 -2.46 -0.04 0.00 -1.94 0.00 0.00 57.00 52.54 3h25 n GLN 196 Cb 0.48 -3.14 -0.12 0.00 0.11 0.00 0.00 30.24 27.58 3h25 n GLN 196 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h25 n GLN 197 N 5.38 1.35 0.00 -1.09 10.64 -1.24 -4.97 117.38 127.44 3h25 n GLN 197 Ca 0.60 -0.04 0.14 0.00 -1.83 0.00 0.00 57.00 55.87 3h25 n GLN 197 Cb 0.34 -1.38 0.52 0.00 -0.86 0.00 0.00 30.24 28.87 3h25 n GLN 197 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62