#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h87 n ASP 18 N 0.00 0.00 -4.72 1.09 8.00 -1.26 -4.87 116.55 114.79 3h87 n ASP 18 Ca 0.00 -0.33 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 3h87 n ASP 18 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 3h87 n ASP 18 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3h87 s GLN 19 N -2.42 4.37 0.14 -1.24 0.74 -1.26 -5.03 119.66 114.96 3h87 s GLN 19 Ca 0.31 1.99 0.04 0.00 0.05 0.00 0.00 55.36 57.76 3h87 s GLN 19 Cb 0.19 -3.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 3h87 s GLN 19 CO 0.40 -0.34 -0.10 -0.98 -0.55 0.00 0.00 175.29 173.73 3h87 s ARG 20 N 0.73 1.03 0.18 1.67 3.03 -1.26 -5.01 118.95 119.33 3h87 s ARG 20 Ca 0.61 -1.42 0.10 0.00 2.03 0.00 0.00 55.73 57.05 3h87 s ARG 20 Cb -0.35 -0.60 -0.04 0.00 -1.03 0.00 0.00 34.95 32.92 3h87 s ARG 20 CO 0.32 0.07 -0.21 -1.58 -1.13 0.00 0.00 175.30 172.78 3h87 s TRP 21 N -3.25 2.05 -0.24 5.89 0.51 -0.27 -1.07 118.94 122.56 3h87 s TRP 21 Ca 0.15 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.73 3h87 s TRP 21 Cb 0.02 -1.01 0.04 0.00 -0.81 0.00 0.00 33.47 31.71 3h87 s TRP 21 CO 0.00 0.43 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.60 3h87 s LEU 22 N -2.72 3.13 -0.18 2.99 2.96 0.08 -0.34 118.68 124.60 3h87 s LEU 22 Ca 0.19 -1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 52.84 3h87 s LEU 22 Cb -0.07 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3h87 s LEU 22 CO 0.08 -0.14 0.63 -0.51 -1.32 0.00 0.00 176.35 175.10 3h87 s ILE 23 N 1.23 5.03 0.62 6.68 2.07 -0.39 -1.18 121.20 135.26 3h87 s ILE 23 Ca -0.03 1.21 -0.11 0.00 -1.41 0.00 0.00 60.65 60.32 3h87 s ILE 23 Cb -0.17 -3.95 -0.04 0.00 0.13 0.00 0.00 42.46 38.43 3h87 s ILE 23 CO -0.06 0.14 1.03 -0.62 -1.91 0.00 0.00 174.94 173.52 3h87 s ASP 24 N 1.11 6.18 0.42 4.50 2.15 -0.27 -4.69 116.67 126.07 3h87 s ASP 24 Ca 0.30 1.44 0.16 0.00 0.43 0.00 0.00 52.55 54.88 3h87 s ASP 24 Cb -0.16 -2.47 1.05 0.00 -0.30 0.00 0.00 42.92 41.04 3h87 s ASP 24 CO 0.11 -0.90 1.88 0.07 -0.17 0.00 0.00 175.17 176.16 3h87 h LYS 25 N -0.30 0.42 -0.09 4.34 2.10 -1.95 -1.18 116.57 119.91 3h87 h LYS 25 Ca -0.44 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.12 3h87 h LYS 25 Cb 1.19 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 3h87 h LYS 25 CO 0.62 0.28 -0.23 0.66 -2.00 0.00 0.00 179.45 178.77 3h87 h SER 26 N 0.43 0.15 0.18 7.07 4.64 -1.91 -2.53 113.55 121.59 3h87 h SER 26 Ca 0.43 -0.04 -0.35 0.00 -0.47 0.00 0.00 61.79 61.36 3h87 h SER 26 Cb 1.03 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3h87 h SER 26 CO -0.16 0.39 -1.77 0.00 -0.87 0.00 0.00 176.83 174.42 3h87 h ALA 27 N 1.63 0.17 -0.65 5.18 0.00 -1.60 -3.35 119.26 120.64 3h87 h ALA 27 Ca 0.02 -1.16 0.13 0.00 0.00 0.00 0.00 54.91 53.90 3h87 h ALA 27 Cb 0.49 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 3h87 h ALA 27 CO 0.03 1.04 0.13 1.25 0.00 0.00 0.00 179.25 181.70 3h87 h LEU 28 N 0.09 -0.03 0.00 0.00 5.85 -0.99 -1.35 115.31 118.89 3h87 h LEU 28 Ca -0.35 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3h87 h LEU 28 Cb 2.09 0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.30 3h87 h LEU 28 CO 0.17 -0.02 0.00 0.55 -0.34 0.00 0.00 178.44 178.80 3h87 n VAL 29 N -5.16 0.03 0.38 1.05 3.14 -0.97 -3.48 118.33 113.32 3h87 n VAL 29 Ca 0.11 0.01 0.06 0.00 -2.96 0.00 0.00 64.34 61.55 3h87 n VAL 29 Cb 0.37 -0.51 0.07 0.00 -1.06 0.00 0.00 33.84 32.70 3h87 n VAL 29 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3h87 n ARG 30 N -1.46 0.95 -0.38 1.45 1.74 -0.57 -4.65 116.66 113.75 3h87 n ARG 30 Ca 0.08 -1.32 -0.02 0.00 -0.77 0.00 0.00 57.85 55.82 3h87 n ARG 30 Cb 0.31 -1.23 0.12 0.00 -1.02 0.00 0.00 32.46 30.64 3h87 n ARG 30 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3h87 h LEU 31 N 2.24 1.15 -2.57 0.55 3.38 -1.42 -2.14 115.31 116.50 3h87 h LEU 31 Ca 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h87 h LEU 31 Cb 0.52 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h87 h LEU 31 CO 0.00 0.83 -0.00 0.00 0.09 0.00 0.00 178.44 179.36 3h87 h THR 32 N 1.36 0.40 -0.49 0.22 1.03 -1.84 -1.42 112.91 112.16 3h87 h THR 32 Ca 0.37 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 3h87 h THR 32 Cb -0.15 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.94 3h87 h THR 32 CO -0.08 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 175.90 3h87 n ASP 33 N -3.66 4.37 -4.80 0.00 8.00 -0.81 -4.99 116.55 114.66 3h87 n ASP 33 Ca -0.03 -2.58 -0.38 0.00 0.71 0.00 0.00 54.79 52.51 3h87 n ASP 33 Cb 0.08 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.60 3h87 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h87 s SER 34 N -1.17 6.71 0.31 -2.24 0.15 -0.54 -0.75 113.70 116.17 3h87 s SER 34 Ca 0.45 0.84 0.23 0.00 0.70 0.00 0.00 55.95 58.17 3h87 s SER 34 Cb 0.31 -2.24 1.12 0.00 -1.71 0.00 0.00 66.02 63.50 3h87 s SER 34 CO 0.18 0.23 1.70 -0.81 1.20 0.00 0.00 173.24 175.74 3h87 n PRO 35 N 2.46 0.17 -0.70 5.44 -0.04 -1.26 -1.58 135.00 139.49 3h87 n PRO 35 Ca -0.13 0.55 0.07 0.00 -0.04 0.00 0.00 63.50 63.96 3h87 n PRO 35 Cb 0.52 -1.94 0.35 0.00 -0.04 0.00 0.00 33.50 32.39 3h87 n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3h87 n ASP 36 N -2.29 4.90 -0.24 3.54 10.43 -1.26 -4.66 116.55 126.98 3h87 n ASP 36 Ca 0.00 -2.64 0.04 0.00 2.57 0.00 0.00 54.79 54.76 3h87 n ASP 36 Cb 0.12 -0.62 0.15 0.00 1.84 0.00 0.00 41.12 42.62 3h87 n ASP 36 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 3h87 h MET 37 N 3.71 0.15 -0.45 -1.24 4.05 -1.55 -1.73 114.93 117.87 3h87 h MET 37 Ca 0.00 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3h87 h MET 37 Cb 1.62 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.37 3h87 h MET 37 CO 0.34 0.10 0.18 1.49 0.23 0.00 0.00 176.91 179.25 3h87 h GLU 38 N 0.16 0.68 -0.59 0.39 4.81 -1.86 0.84 114.58 119.01 3h87 h GLU 38 Ca 0.39 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3h87 h GLU 38 Cb 0.67 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 3h87 h GLU 38 CO -0.58 0.62 0.09 0.97 -0.73 0.00 0.00 179.01 179.38 3h87 h ILE 39 N 0.59 1.26 -0.50 2.32 6.09 -1.79 -1.92 117.51 123.55 3h87 h ILE 39 Ca 0.15 -1.00 -0.11 0.00 -1.37 0.00 0.00 64.86 62.53 3h87 h ILE 39 Cb 0.19 0.76 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 3h87 h ILE 39 CO -0.01 0.37 -0.12 -0.50 -3.07 0.00 0.00 178.15 174.81 3h87 h TRP 40 N 0.88 1.05 -0.74 2.19 4.06 -1.08 -2.05 115.95 120.26 3h87 h TRP 40 Ca 0.18 -0.21 0.05 0.00 2.06 0.00 0.00 58.89 60.97 3h87 h TRP 40 Cb 0.43 -0.26 -0.05 0.00 -1.00 0.00 0.00 29.16 28.28 3h87 h TRP 40 CO 0.03 0.99 0.44 0.77 -3.56 0.00 0.00 178.44 177.12 3h87 h SER 41 N 0.84 0.69 -0.64 -3.49 0.02 -0.62 -0.98 113.55 109.36 3h87 h SER 41 Ca 0.13 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3h87 h SER 41 Cb 0.66 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3h87 h SER 41 CO 0.05 0.45 0.18 -1.13 -1.14 0.00 0.00 176.83 175.24 3h87 h ASN 42 N 0.82 0.95 -0.61 3.07 -0.73 -1.14 -1.82 115.58 116.13 3h87 h ASN 42 Ca 0.32 -0.22 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 3h87 h ASN 42 Cb 0.13 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 3h87 h ASN 42 CO -0.16 0.92 0.14 0.03 -0.37 0.00 0.00 177.43 177.99 3h87 h ARG 43 N 0.94 1.01 -0.34 6.67 3.08 -1.06 -2.51 114.38 122.15 3h87 h ARG 43 Ca 0.20 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3h87 h ARG 43 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3h87 h ARG 43 CO -0.00 0.90 0.11 0.82 -1.07 0.00 0.00 179.97 180.72 3h87 h ILE 44 N 0.96 1.21 -0.80 2.04 2.04 -0.99 -1.75 117.51 120.22 3h87 h ILE 44 Ca 0.20 -0.68 0.15 0.00 1.00 0.00 0.00 64.86 65.52 3h87 h ILE 44 Cb 0.36 1.01 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3h87 h ILE 44 CO 0.00 0.23 0.53 -0.33 0.00 0.00 0.00 178.15 178.59 3h87 h GLU 45 N 0.40 0.50 -0.01 2.37 5.08 -1.08 -2.07 114.58 119.78 3h87 h GLU 45 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3h87 h GLU 45 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3h87 h GLU 45 CO -0.00 0.33 -0.07 0.54 -1.00 0.00 0.00 179.01 178.81 3h87 n ARG 46 N -4.51 1.14 -0.76 2.33 1.74 -0.97 -4.93 116.66 110.70 3h87 n ARG 46 Ca 0.15 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3h87 n ARG 46 Cb 0.50 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3h87 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h87 n GLY 47 N 1.20 0.57 0.12 -0.13 0.00 -0.78 -4.96 105.19 101.21 3h87 n GLY 47 Ca 0.18 -0.44 0.14 0.00 0.00 0.00 0.00 46.02 45.89 3h87 n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h87 n LEU 48 N 0.00 0.55 -4.07 0.99 4.77 -0.69 -4.69 117.00 113.86 3h87 n LEU 48 Ca 0.00 -0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.65 3h87 n LEU 48 Cb 0.00 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 3h87 n LEU 48 CO 0.00 0.11 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.05 3h87 s VAL 49 N -2.60 2.24 0.43 4.08 1.01 -1.26 -1.12 120.40 123.17 3h87 s VAL 49 Ca 0.24 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.49 3h87 s VAL 49 Cb 0.19 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3h87 s VAL 49 CO 0.52 -0.14 0.62 -1.00 0.00 0.00 0.00 175.10 175.10 3h87 s HIS 50 N 1.07 3.08 0.01 5.22 3.76 0.54 -4.00 115.29 124.98 3h87 s HIS 50 Ca -0.05 -0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 3h87 s HIS 50 Cb -0.20 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 3h87 s HIS 50 CO -0.05 -0.35 -0.01 -1.50 -0.85 0.00 0.00 174.74 171.98 3h87 s ILE 51 N -2.45 0.08 0.56 0.60 2.07 -0.43 -1.26 121.20 120.36 3h87 s ILE 51 Ca 0.50 -0.64 -0.08 0.00 -1.41 0.00 0.00 60.65 59.02 3h87 s ILE 51 Cb -0.10 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 3h87 s ILE 51 CO 0.35 -0.35 0.91 0.42 -1.91 0.00 0.00 174.94 174.37 3h87 s THR 52 N -1.03 4.73 0.26 4.00 -4.23 -1.26 -0.59 115.64 117.53 3h87 s THR 52 Ca -0.11 0.52 -0.05 0.00 -1.18 0.00 0.00 61.69 60.87 3h87 s THR 52 Cb -0.07 -3.84 0.25 0.00 1.34 0.00 0.00 72.50 70.17 3h87 s THR 52 CO -0.01 -0.97 1.92 1.23 -0.54 0.00 0.00 174.62 176.25 3h87 h GLY 53 N -0.07 1.31 1.01 3.99 0.00 -1.94 -2.30 103.07 105.07 3h87 h GLY 53 Ca -0.45 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3h87 h GLY 53 CO 0.62 0.51 0.41 -2.08 0.00 0.00 0.00 176.54 175.99 3h87 h VAL 54 N 1.25 1.22 -0.30 4.60 2.07 -1.94 -2.16 116.25 121.00 3h87 h VAL 54 Ca 0.33 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3h87 h VAL 54 Cb -0.09 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3h87 h VAL 54 CO -0.07 0.24 -0.10 0.74 0.02 0.00 0.00 177.57 178.40 3h87 h THR 55 N 0.99 1.22 -0.81 2.57 2.02 -1.89 -1.62 112.91 115.40 3h87 h THR 55 Ca 0.26 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 3h87 h THR 55 Cb 0.02 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3h87 h THR 55 CO -0.04 0.32 0.35 0.03 0.37 0.00 0.00 175.52 176.55 3h87 h ARG 56 N 0.46 1.19 -0.13 6.66 3.08 -1.04 -1.06 114.38 123.54 3h87 h ARG 56 Ca 0.09 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3h87 h ARG 56 Cb 0.45 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3h87 h ARG 56 CO 0.02 0.94 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.69 3h87 h LEU 57 N 1.16 0.19 -0.35 3.04 3.38 -0.74 -1.03 115.31 120.96 3h87 h LEU 57 Ca 0.27 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3h87 h LEU 57 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3h87 h LEU 57 CO -0.03 0.33 -0.13 -0.33 0.09 0.00 0.00 178.44 178.37 3h87 h GLU 58 N 0.20 0.71 -0.34 1.13 5.08 -0.54 -0.89 114.58 119.93 3h87 h GLU 58 Ca 0.04 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3h87 h GLU 58 Cb 0.32 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3h87 h GLU 58 CO 0.02 0.89 0.05 0.28 -1.00 0.00 0.00 179.01 179.25 3h87 h VAL 59 N 0.49 0.81 -0.55 3.13 2.07 -0.91 -2.09 116.25 119.21 3h87 h VAL 59 Ca 0.08 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3h87 h VAL 59 Cb 0.66 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3h87 h VAL 59 CO 0.04 0.03 0.12 1.23 0.02 0.00 0.00 177.57 179.02 3h87 h GLY 60 N 0.17 0.91 1.29 2.17 0.00 -1.09 -2.07 103.07 104.45 3h87 h GLY 60 Ca 0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3h87 h GLY 60 CO -0.22 0.50 0.25 -2.75 0.00 0.00 0.00 176.54 174.31 3h87 h PHE 61 N 0.81 0.91 0.00 5.60 3.57 -0.85 -2.95 116.94 124.03 3h87 h PHE 61 Ca 0.18 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h87 h PHE 61 Cb 0.31 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3h87 h PHE 61 CO 0.02 0.70 -0.11 0.66 -2.23 0.00 0.00 178.31 177.35 3h87 h SER 62 N 0.89 0.00 -3.94 0.41 4.64 -0.91 -3.46 113.55 111.19 3h87 h SER 62 Ca 0.21 -0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 61.02 3h87 h SER 62 Cb 0.17 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.32 3h87 h SER 62 CO -0.02 0.00 0.52 0.00 -0.87 0.00 0.00 176.83 176.46 3h87 s ALA 63 N -3.21 3.18 0.32 5.18 0.00 -0.82 -4.96 121.76 121.45 3h87 s ALA 63 Ca 0.07 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.13 3h87 s ALA 63 Cb 0.07 -3.39 0.52 0.00 0.00 0.00 0.00 23.12 20.32 3h87 s ALA 63 CO 0.67 -0.56 1.72 1.49 0.00 0.00 0.00 175.76 179.09 3h87 h GLU 64 N 2.70 0.11 -3.36 0.00 4.81 -1.89 -3.47 114.58 113.49 3h87 h GLU 64 Ca -0.49 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 3h87 h GLU 64 Cb 1.23 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 3h87 h GLU 64 CO 0.63 0.54 0.09 0.00 -0.73 0.00 0.00 179.01 179.53 3h87 h GLY 66 N 2.08 0.58 0.98 0.00 0.00 -1.97 -2.24 103.07 102.50 3h87 h GLY 66 Ca -0.27 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3h87 h GLY 66 CO 0.35 0.38 0.17 0.83 0.00 0.00 0.00 176.54 178.27 3h87 h GLU 67 N 0.50 0.38 -0.55 4.80 4.39 -1.99 -1.52 114.58 120.58 3h87 h GLU 67 Ca 0.09 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 3h87 h GLU 67 Cb 0.52 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3h87 h GLU 67 CO 0.03 0.29 -0.00 0.82 -1.16 0.00 0.00 179.01 178.99 3h87 h ILE 68 N 0.36 1.26 -0.40 3.13 2.04 -1.93 -2.17 117.51 119.81 3h87 h ILE 68 Ca 0.10 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3h87 h ILE 68 Cb 0.00 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3h87 h ILE 68 CO -0.02 0.40 0.26 0.00 0.00 0.00 0.00 178.15 178.79 3h87 h ALA 69 N 0.96 0.51 -0.99 1.87 0.00 -1.23 -0.99 119.26 119.38 3h87 h ALA 69 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h87 h ALA 69 Cb 0.54 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3h87 h ALA 69 CO 0.03 -0.05 0.65 0.00 0.00 0.00 0.00 179.25 179.88 3h87 h ARG 70 N 0.53 1.31 -0.31 0.00 3.08 -1.18 -2.06 114.38 115.75 3h87 h ARG 70 Ca 0.15 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 3h87 h ARG 70 Cb -0.05 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 3h87 h ARG 70 CO -0.04 0.87 0.08 -0.09 -1.07 0.00 0.00 179.97 179.72 3h87 h ARG 71 N 1.35 0.50 -0.94 0.04 2.43 -1.06 -2.42 114.38 114.28 3h87 h ARG 71 Ca 0.36 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 3h87 h ARG 71 Cb -0.15 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 3h87 h ARG 71 CO -0.08 0.57 0.62 0.93 -1.51 0.00 0.00 179.97 180.50 3h87 h GLU 72 N 0.35 1.22 0.00 0.20 4.39 -0.73 -1.82 114.58 118.20 3h87 h GLU 72 Ca 0.10 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3h87 h GLU 72 Cb 0.29 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3h87 h GLU 72 CO 0.00 0.81 -0.19 0.74 -1.16 0.00 0.00 179.01 179.22 3h87 h PHE 73 N 1.26 0.00 -0.00 4.33 0.04 -1.15 -3.21 116.94 118.21 3h87 h PHE 73 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 3h87 h PHE 73 Cb -0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3h87 h PHE 73 CO -0.01 0.19 -0.84 2.89 -0.60 0.00 0.00 178.31 179.94 3h87 n ARG 74 N -3.36 0.16 -4.09 1.51 1.85 -0.90 -3.72 116.66 108.12 3h87 n ARG 74 Ca 0.00 -0.13 -0.23 0.00 -1.00 0.00 0.00 57.85 56.50 3h87 n ARG 74 Cb 0.40 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.27 3h87 n ARG 74 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3h87 s GLU 75 N -2.93 3.00 0.54 2.89 0.41 -0.74 -4.74 118.70 117.14 3h87 s GLU 75 Ca 0.10 -0.98 -0.20 0.00 -0.41 0.00 0.00 54.97 53.48 3h87 s GLU 75 Cb 0.17 -2.63 -0.06 0.00 -1.78 0.00 0.00 34.13 29.83 3h87 s GLU 75 CO 0.80 0.42 1.18 -2.14 -0.49 0.00 0.00 175.26 175.03 3h87 s PRO 76 N -3.72 3.33 0.20 0.39 0.02 -1.26 -1.94 135.00 132.02 3h87 s PRO 76 Ca 0.33 1.77 0.23 0.00 0.02 0.00 0.00 61.00 63.34 3h87 s PRO 76 Cb -0.08 -2.11 0.13 0.00 0.02 0.00 0.00 34.50 32.45 3h87 s PRO 76 CO 0.25 -0.90 1.18 -1.00 -0.33 0.00 0.00 177.00 176.20 3h87 h PRO 77 N 1.35 0.00 -0.17 5.54 0.13 -1.99 -3.46 132.00 133.41 3h87 h PRO 77 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 3h87 h PRO 77 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3h87 h PRO 77 CO 0.57 0.00 0.03 -0.07 -0.23 0.00 0.00 178.00 178.30 3h87 h LEU 78 N 0.00 0.21 -1.96 1.56 3.38 -1.73 -1.52 115.31 115.25 3h87 h LEU 78 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h87 h LEU 78 Cb 0.93 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3h87 h LEU 78 CO 0.00 0.23 0.00 0.77 0.09 0.00 0.00 178.44 179.53 3h87 h SER 79 N 0.23 0.00 -0.22 -0.43 4.64 -1.47 -2.44 113.55 113.87 3h87 h SER 79 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3h87 h SER 79 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3h87 h SER 79 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3h87 n ALA 80 N -2.00 2.43 -2.77 5.18 0.00 -0.57 -4.91 120.51 117.87 3h87 n ALA 80 Ca -0.01 -0.85 -0.40 0.00 0.00 0.00 0.00 53.44 52.17 3h87 n ALA 80 Cb 0.16 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 3h87 n ALA 80 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3h87 s MET 81 N -1.57 3.03 0.47 0.00 1.00 -0.92 -4.45 119.30 116.85 3h87 s MET 81 Ca 0.31 -0.95 -0.25 0.00 0.00 0.00 0.00 55.69 54.81 3h87 s MET 81 Cb 0.20 -3.72 -0.08 0.00 0.00 0.00 0.00 34.83 31.23 3h87 s MET 81 CO 0.28 -0.61 1.42 -2.14 0.00 0.00 0.00 175.02 173.97 3h87 s PRO 82 N 1.60 3.60 -0.12 2.03 0.02 -1.26 -4.58 135.00 136.29 3h87 s PRO 82 Ca 0.03 2.40 -0.18 0.00 0.02 0.00 0.00 61.00 63.28 3h87 s PRO 82 Cb -0.18 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3h87 s PRO 82 CO 0.07 -0.88 0.46 0.08 -0.33 0.00 0.00 177.00 176.40 3h87 s VAL 83 N -1.21 5.20 -0.32 3.83 1.01 -1.26 -1.32 120.40 126.32 3h87 s VAL 83 Ca 0.63 0.91 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 3h87 s VAL 83 Cb -0.43 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.15 3h87 s VAL 83 CO 0.55 0.34 0.15 -1.61 0.00 0.00 0.00 175.10 174.53 3h87 s GLU 84 N 0.57 3.19 0.34 2.72 0.41 0.25 -4.94 118.70 121.23 3h87 s GLU 84 Ca 0.25 -0.82 -0.02 0.00 -0.41 0.00 0.00 54.97 53.97 3h87 s GLU 84 Cb -0.15 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.59 3h87 s GLU 84 CO 0.10 -0.48 0.58 0.71 -0.49 0.00 0.00 175.26 175.67 3h87 s TYR 85 N 1.58 3.50 0.63 1.61 2.02 -1.26 -3.28 117.35 122.14 3h87 s TYR 85 Ca 0.04 0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 3h87 s TYR 85 Cb -0.18 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3h87 s TYR 85 CO 0.06 0.09 1.08 -0.51 -1.57 0.00 0.00 175.55 174.70 3h87 s LEU 86 N -4.06 3.44 0.21 -1.29 1.43 -1.26 -5.03 118.68 112.11 3h87 s LEU 86 Ca 0.42 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.44 3h87 s LEU 86 Cb -0.10 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.53 3h87 s LEU 86 CO 0.35 -1.37 -0.01 0.42 0.23 0.00 0.00 176.35 175.96 3h87 s THR 87 N -2.43 0.95 0.28 5.49 -4.23 -1.26 -5.03 115.64 109.41 3h87 s THR 87 Ca 0.65 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3h87 s THR 87 Cb -0.18 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.69 3h87 s THR 87 CO 0.40 -0.40 1.83 -0.65 -0.54 0.00 0.00 174.62 175.26 3h87 h PRO 88 N 2.56 0.93 -0.75 3.99 0.11 -1.99 -1.22 132.00 135.62 3h87 h PRO 88 Ca -0.38 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3h87 h PRO 88 Cb 1.22 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 3h87 h PRO 88 CO 0.64 0.62 0.29 0.00 -0.21 0.00 0.00 178.00 179.33 3h87 h ARG 89 N 0.96 1.14 -0.24 1.05 3.08 -1.99 -0.80 114.38 117.57 3h87 h ARG 89 Ca 0.48 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 3h87 h ARG 89 Cb 0.46 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3h87 h ARG 89 CO -0.26 0.94 -0.03 0.82 -1.07 0.00 0.00 179.97 180.37 3h87 h ILE 90 N 1.09 1.27 -0.81 2.04 2.04 -1.70 -1.20 117.51 120.24 3h87 h ILE 90 Ca 0.25 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3h87 h ILE 90 Cb 0.24 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3h87 h ILE 90 CO -0.02 0.30 0.39 -0.33 0.00 0.00 0.00 178.15 178.49 3h87 h GLU 91 N 0.20 1.17 -0.61 2.37 5.08 -1.04 -0.71 114.58 121.05 3h87 h GLU 91 Ca 0.06 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3h87 h GLU 91 Cb 0.46 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3h87 h GLU 91 CO 0.02 0.91 0.00 -0.44 -1.00 0.00 0.00 179.01 178.50 3h87 h ASP 92 N 1.15 1.05 -0.70 1.42 3.32 -1.13 -2.70 116.42 118.82 3h87 h ASP 92 Ca 0.28 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3h87 h ASP 92 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3h87 h ASP 92 CO -0.03 1.10 0.29 -0.09 -1.72 0.00 0.00 179.24 178.78 3h87 h ARG 93 N 0.97 1.04 -0.67 3.56 9.65 -0.70 -0.85 114.38 127.38 3h87 h ARG 93 Ca 0.17 -0.18 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 3h87 h ARG 93 Cb 0.56 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.91 3h87 h ARG 93 CO 0.03 0.85 0.37 0.00 2.80 0.00 0.00 179.97 184.02 3h87 h ALA 94 N 1.14 0.90 -0.46 2.80 0.00 -1.07 -0.17 119.26 122.39 3h87 h ALA 94 Ca 0.24 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3h87 h ALA 94 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3h87 h ALA 94 CO -0.02 0.03 0.05 1.25 0.00 0.00 0.00 179.25 180.56 3h87 h LEU 95 N 0.67 0.75 -0.42 0.00 5.85 -1.18 -1.18 115.31 119.80 3h87 h LEU 95 Ca 0.31 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3h87 h LEU 95 Cb 0.22 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3h87 h LEU 95 CO -0.20 0.84 0.21 -0.08 -0.34 0.00 0.00 178.44 178.87 3h87 h GLU 96 N 0.64 0.42 -0.74 1.25 4.81 -0.70 -1.72 114.58 118.54 3h87 h GLU 96 Ca 0.14 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3h87 h GLU 96 Cb 0.42 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3h87 h GLU 96 CO 0.01 0.28 0.22 0.28 -0.73 0.00 0.00 179.01 179.07 3h87 h VAL 97 N 0.43 1.26 -0.63 0.32 2.07 -0.95 -1.93 116.25 116.83 3h87 h VAL 97 Ca 0.18 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.80 3h87 h VAL 97 Cb 0.07 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 3h87 h VAL 97 CO -0.12 0.36 0.37 -0.61 0.02 0.00 0.00 177.57 177.60 3h87 h GLN 98 N 1.11 0.69 -0.44 1.57 4.15 -1.00 -0.69 115.11 120.50 3h87 h GLN 98 Ca 0.24 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.54 3h87 h GLN 98 Cb 0.32 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3h87 h GLN 98 CO -0.01 0.46 -0.03 1.15 -1.93 0.00 0.00 178.83 178.47 3h87 h THR 99 N 0.71 1.24 -0.55 2.39 2.02 -0.90 -0.13 112.91 117.70 3h87 h THR 99 Ca 0.26 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 3h87 h THR 99 Cb 0.08 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3h87 h THR 99 CO -0.13 0.36 0.16 -0.07 0.37 0.00 0.00 175.52 176.21 3h87 h LEU 100 N 0.69 0.80 -0.69 2.58 3.38 -0.80 -1.18 115.31 120.09 3h87 h LEU 100 Ca 0.13 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h87 h LEU 100 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3h87 h LEU 100 CO 0.02 0.81 0.45 -0.07 0.09 0.00 0.00 178.44 179.74 3h87 h LEU 101 N 0.76 0.81 -1.58 1.67 3.38 -0.81 -2.85 115.31 116.69 3h87 h LEU 101 Ca 0.17 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3h87 h LEU 101 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3h87 h LEU 101 CO -0.00 0.60 -0.16 0.00 0.09 0.00 0.00 178.44 178.97 3h87 h ALA 102 N 1.24 1.66 -0.13 1.53 0.00 -0.64 -0.17 119.26 122.75 3h87 h ALA 102 Ca 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h87 h ALA 102 Cb -0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h87 h ALA 102 CO -0.05 0.26 0.05 -0.44 0.00 0.00 0.00 179.25 179.06 3h87 h ASP 103 N 0.07 0.16 -0.03 0.00 3.32 -0.98 -2.73 116.42 116.22 3h87 h ASP 103 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h87 h ASP 103 Cb 0.32 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3h87 h ASP 103 CO 0.02 0.15 0.00 0.54 -1.72 0.00 0.00 179.24 178.23 3h87 n ARG 104 N -4.48 2.20 -1.29 3.56 1.74 -0.62 -4.96 116.66 112.82 3h87 n ARG 104 Ca -0.01 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 3h87 n ARG 104 Cb 0.11 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3h87 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h87 n GLY 105 N 1.32 0.50 0.00 -0.13 0.00 -0.87 -4.97 105.19 101.02 3h87 n GLY 105 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3h87 n GLY 105 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h87 n HIS 106 N -3.24 0.00 1.78 1.61 -0.00 -0.17 -4.79 115.22 110.41 3h87 n HIS 106 Ca 0.00 -0.31 0.15 0.00 -0.00 0.00 0.00 57.72 57.56 3h87 n HIS 106 Cb 0.20 -0.03 0.87 0.00 -0.00 0.00 0.00 29.99 31.03 3h87 n HIS 106 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3h87 n HIS 107 N -0.31 0.00 -0.35 4.41 1.44 -1.22 -2.46 115.22 116.74 3h87 n HIS 107 Ca 0.00 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.82 3h87 n HIS 107 Cb 0.22 -0.09 0.31 0.00 0.12 0.00 0.00 29.99 30.55 3h87 n HIS 107 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3h87 n ARG 108 N -1.09 2.74 0.00 -1.40 1.74 -1.26 -4.49 116.66 112.89 3h87 n ARG 108 Ca 0.20 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.66 3h87 n ARG 108 Cb 0.15 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3h87 n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h87 n GLY 109 N 1.58 1.62 3.71 -0.13 0.00 -1.03 -4.85 105.19 106.09 3h87 n GLY 109 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3h87 n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h87 n PRO 110 N -0.38 2.72 -1.73 1.61 -0.02 -1.26 -5.00 135.00 130.94 3h87 n PRO 110 Ca 0.00 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 62.17 3h87 n PRO 110 Cb 0.00 -2.82 0.12 0.00 -0.02 0.00 0.00 33.50 30.79 3h87 n PRO 110 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3h87 s SER 111 N 1.12 3.82 0.13 2.55 1.04 -1.26 -4.86 113.70 116.24 3h87 s SER 111 Ca 0.75 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 57.79 3h87 s SER 111 Cb -0.52 -1.26 -0.05 0.00 0.10 0.00 0.00 66.02 64.29 3h87 s SER 111 CO 0.33 -2.34 1.77 0.40 0.98 0.00 0.00 173.24 174.39 3h87 h ILE 112 N -1.35 1.02 -0.86 -1.02 2.04 -1.95 -1.35 117.51 114.03 3h87 h ILE 112 Ca -0.48 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.39 3h87 h ILE 112 Cb 1.32 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 3h87 h ILE 112 CO 0.60 0.05 0.51 -0.65 0.00 0.00 0.00 178.15 178.66 3h87 h PRO 113 N 0.26 0.83 -0.53 2.37 0.11 -1.99 -0.93 132.00 132.12 3h87 h PRO 113 Ca 0.09 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.17 3h87 h PRO 113 Cb -0.00 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 30.89 3h87 h PRO 113 CO -0.04 0.55 0.31 -0.44 -0.21 0.00 0.00 178.00 178.17 3h87 h ASP 114 N 0.86 0.50 -0.57 -2.05 3.32 -1.78 0.16 116.42 116.86 3h87 h ASP 114 Ca 0.41 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 3h87 h ASP 114 Cb 0.35 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3h87 h ASP 114 CO -0.24 0.35 0.28 -0.07 -1.72 0.00 0.00 179.24 177.85 3h87 h LEU 115 N 0.62 0.74 -0.41 1.55 3.38 -0.72 -0.65 115.31 119.83 3h87 h LEU 115 Ca 0.21 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3h87 h LEU 115 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3h87 h LEU 115 CO -0.10 0.66 -0.09 -0.07 0.09 0.00 0.00 178.44 178.93 3h87 h LEU 116 N 0.77 0.79 -0.29 1.67 3.38 -0.73 -1.00 115.31 119.90 3h87 h LEU 116 Ca 0.20 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3h87 h LEU 116 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3h87 h LEU 116 CO -0.03 0.97 0.09 0.40 0.09 0.00 0.00 178.44 179.96 3h87 h ILE 117 N 0.61 1.20 -0.49 1.22 2.04 -0.88 -1.11 117.51 120.10 3h87 h ILE 117 Ca 0.10 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 3h87 h ILE 117 Cb 0.62 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3h87 h ILE 117 CO 0.04 0.21 0.27 0.00 0.00 0.00 0.00 178.15 178.67 3h87 h ALA 118 N 0.92 0.63 -0.25 1.87 0.00 -1.06 -1.24 119.26 120.13 3h87 h ALA 118 Ca 0.09 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3h87 h ALA 118 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h87 h ALA 118 CO -0.00 0.15 -0.29 0.00 0.00 0.00 0.00 179.25 179.11 3h87 h ALA 119 N 1.11 1.02 -0.22 0.00 0.00 -1.13 -0.61 119.26 119.42 3h87 h ALA 119 Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h87 h ALA 119 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h87 h ALA 119 CO -0.03 0.59 0.14 1.15 0.00 0.00 0.00 179.25 181.10 3h87 h THR 120 N 0.45 1.08 -0.53 0.00 2.02 -0.95 -1.82 112.91 113.16 3h87 h THR 120 Ca 0.06 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3h87 h THR 120 Cb 0.74 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 3h87 h THR 120 CO 0.06 0.08 0.32 0.00 0.37 0.00 0.00 175.52 176.34 3h87 h ALA 121 N 1.05 0.68 -0.42 6.16 0.00 -0.99 -1.15 119.26 124.59 3h87 h ALA 121 Ca 0.08 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h87 h ALA 121 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3h87 h ALA 121 CO -0.02 0.17 0.25 1.49 0.00 0.00 0.00 179.25 181.14 3h87 h GLU 122 N 0.72 0.50 0.00 0.00 4.81 -0.94 -1.47 114.58 118.19 3h87 h GLU 122 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3h87 h GLU 122 Cb -0.01 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3h87 h GLU 122 CO -0.04 0.33 -0.68 -0.07 -0.73 0.00 0.00 179.01 177.82 3h87 h LEU 123 N 0.51 0.00 -2.18 1.64 3.38 -1.25 -3.33 115.31 114.08 3h87 h LEU 123 Ca 0.16 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h87 h LEU 123 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h87 h LEU 123 CO -0.07 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 3h87 n SER 124 N -2.30 2.86 -0.98 -0.43 7.64 -0.44 -5.00 113.62 114.97 3h87 n SER 124 Ca 0.02 -1.84 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 3h87 n SER 124 Cb 0.47 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 3h87 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h87 n GLY 125 N 1.00 0.68 3.31 0.23 0.00 -0.73 -5.02 105.19 104.66 3h87 n GLY 125 Ca 0.13 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 3h87 n GLY 125 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h87 s LEU 126 N -1.95 2.42 -0.19 0.99 1.43 -0.63 -4.65 118.68 116.10 3h87 s LEU 126 Ca 0.06 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 3h87 s LEU 126 Cb -0.02 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 3h87 s LEU 126 CO 0.09 -0.05 0.52 -0.89 0.23 0.00 0.00 176.35 176.25 3h87 s THR 127 N -2.00 5.11 0.05 5.49 2.01 -0.23 -4.41 115.64 121.66 3h87 s THR 127 Ca 0.13 0.97 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 3h87 s THR 127 Cb -0.06 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 3h87 s THR 127 CO 0.06 0.19 1.46 -0.69 -0.69 0.00 0.00 174.62 174.95 3h87 s VAL 128 N 1.55 3.40 -0.24 3.82 1.01 -1.15 -0.74 120.40 128.05 3h87 s VAL 128 Ca 0.25 0.88 -0.07 0.00 0.00 0.00 0.00 61.98 63.03 3h87 s VAL 128 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3h87 s VAL 128 CO 0.10 0.02 0.07 -0.22 0.00 0.00 0.00 175.10 175.07 3h87 s LEU 129 N 2.07 3.51 0.23 3.92 2.96 -0.33 -0.71 118.68 130.34 3h87 s LEU 129 Ca 0.67 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 54.29 3h87 s LEU 129 Cb -0.35 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.41 3h87 s LEU 129 CO 0.29 0.00 0.49 -1.38 -1.32 0.00 0.00 176.35 174.43 3h87 s HIS 130 N 1.39 0.24 -0.47 5.38 -3.43 -0.77 -1.12 115.29 116.51 3h87 s HIS 130 Ca 0.05 -0.60 0.08 0.00 -0.80 0.00 0.00 55.06 53.79 3h87 s HIS 130 Cb -0.15 0.25 0.26 0.00 -1.43 0.00 0.00 32.58 31.51 3h87 s HIS 130 CO 0.04 -0.98 0.63 0.28 -2.00 0.00 0.00 174.74 172.71 3h87 n VAL 131 N -0.37 0.47 -3.21 -5.38 0.31 -1.26 -1.25 118.33 107.64 3h87 n VAL 131 Ca -0.04 -4.51 -0.00 0.00 -0.01 0.00 0.00 64.34 59.78 3h87 n VAL 131 Cb 0.62 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3h87 n VAL 131 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h87 s ASP 132 N -1.81 -0.86 0.49 4.52 -1.08 -1.26 -4.84 116.67 111.84 3h87 s ASP 132 Ca 0.38 0.63 0.32 0.00 -0.52 0.00 0.00 52.55 53.35 3h87 s ASP 132 Cb 0.19 1.82 1.75 0.00 -1.46 0.00 0.00 42.92 45.21 3h87 s ASP 132 CO -0.08 -0.28 1.98 0.07 0.52 0.00 0.00 175.17 177.39 3h87 h LYS 133 N 8.06 0.00 -0.06 4.34 2.10 -2.02 -1.02 116.57 127.97 3h87 h LYS 133 Ca -0.21 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.46 3h87 h LYS 133 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3h87 h LYS 133 CO 0.26 0.00 0.05 -0.44 -2.00 0.00 0.00 179.45 177.32 3h87 h ASP 134 N 0.00 0.00 0.59 7.07 3.32 -1.96 -0.98 116.42 124.47 3h87 h ASP 134 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3h87 h ASP 134 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3h87 h ASP 134 CO 0.00 0.00 -0.33 -0.26 -1.72 0.00 0.00 179.24 176.93 3h87 h PHE 135 N 0.00 0.00 -0.30 4.55 0.04 -1.59 -2.11 116.94 117.53 3h87 h PHE 135 Ca 0.03 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 3h87 h PHE 135 Cb 0.13 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3h87 h PHE 135 CO 0.00 0.33 -0.39 -0.44 -0.60 0.00 0.00 178.31 177.21 3h87 h ASP 136 N 0.00 0.75 -0.37 2.17 3.32 -1.35 -0.87 116.42 120.06 3h87 h ASP 136 Ca -0.00 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 3h87 h ASP 136 Cb 0.72 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3h87 h ASP 136 CO 0.04 1.05 0.10 0.00 -1.72 0.00 0.00 179.24 178.72 3h87 h ALA 137 N 0.98 0.49 -0.31 3.45 0.00 -1.18 -1.76 119.26 120.92 3h87 h ALA 137 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3h87 h ALA 137 Cb 0.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3h87 h ALA 137 CO 0.08 0.15 0.12 0.82 0.00 0.00 0.00 179.25 180.43 3h87 h ILE 138 N 0.46 1.18 0.00 0.00 2.04 -1.30 -3.02 117.51 116.86 3h87 h ILE 138 Ca 0.12 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3h87 h ILE 138 Cb 0.29 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3h87 h ILE 138 CO -0.00 0.19 -0.11 0.00 0.00 0.00 0.00 178.15 178.23 3h87 h ALA 139 N 0.97 1.71 0.00 1.87 0.00 -1.02 -0.54 119.26 122.26 3h87 h ALA 139 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h87 h ALA 139 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h87 h ALA 139 CO -0.01 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3h87 h ALA 140 N 1.89 1.00 0.07 0.00 0.00 -1.19 0.14 119.26 121.17 3h87 h ALA 140 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 3h87 h ALA 140 Cb 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3h87 h ALA 140 CO 0.01 0.00 -1.97 1.28 0.00 0.00 0.00 179.25 178.57 3h87 n LEU 141 N -3.03 1.98 0.00 0.00 4.77 -0.30 -4.66 117.00 115.76 3h87 n LEU 141 Ca -0.00 0.23 0.07 0.00 -0.03 0.00 0.00 56.01 56.28 3h87 n LEU 141 Cb 0.25 -0.61 -0.13 0.00 -2.33 0.00 0.00 43.42 40.60 3h87 n LEU 141 CO 0.25 0.70 -0.62 0.35 -1.33 0.00 0.00 177.39 176.74 3h87 n THR 142 N -3.29 0.42 -1.00 -5.08 -2.24 -0.63 -4.98 114.28 97.48 3h87 n THR 142 Ca -0.29 -0.58 -0.00 0.00 -2.27 0.00 0.00 64.05 60.92 3h87 n THR 142 Cb 1.05 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3h87 n THR 142 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h87 n GLY 143 N 1.32 0.30 3.81 3.38 0.00 0.47 -5.03 105.19 109.45 3h87 n GLY 143 Ca -0.08 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3h87 n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h87 s GLN 144 N -0.83 2.48 -0.07 1.61 -2.07 -1.26 -5.02 119.66 114.51 3h87 s GLN 144 Ca 0.00 0.76 -0.24 0.00 -1.82 0.00 0.00 55.36 54.07 3h87 s GLN 144 Cb 0.00 -1.95 -0.04 0.00 -1.09 0.00 0.00 33.01 29.93 3h87 s GLN 144 CO 0.00 -1.38 0.71 0.21 -1.32 0.00 0.00 175.29 173.51 3h87 s LYS 145 N -5.12 4.43 0.13 9.60 2.20 -1.26 -4.85 119.74 124.88 3h87 s LYS 145 Ca 0.59 0.89 0.05 0.00 -0.36 0.00 0.00 55.97 57.14 3h87 s LYS 145 Cb -0.14 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3h87 s LYS 145 CO 0.54 0.05 -0.11 0.95 -0.36 0.00 0.00 175.35 176.42 3h87 s THR 146 N 0.85 1.18 -0.04 3.43 -4.23 -1.26 -2.91 115.64 112.66 3h87 s THR 146 Ca 0.38 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3h87 s THR 146 Cb -0.18 -1.66 0.03 0.00 1.34 0.00 0.00 72.50 72.04 3h87 s THR 146 CO 0.18 -0.61 0.02 -0.70 -0.54 0.00 0.00 174.62 172.97 3h87 s GLU 147 N -3.23 0.23 -0.18 3.99 2.12 0.12 -4.93 118.70 116.81 3h87 s GLU 147 Ca 0.12 0.15 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 3h87 s GLU 147 Cb -0.01 -0.53 -0.02 0.00 0.26 0.00 0.00 34.13 33.83 3h87 s GLU 147 CO 0.01 -0.20 0.66 0.50 -0.54 0.00 0.00 175.26 175.70 3h87 s ARG 148 N 1.39 4.25 0.23 4.30 3.52 -1.26 -1.84 118.95 129.54 3h87 s ARG 148 Ca -0.05 0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 55.94 3h87 s ARG 148 Cb -0.13 -3.56 -0.11 0.00 -1.56 0.00 0.00 34.95 29.59 3h87 s ARG 148 CO -0.03 -0.22 1.55 -1.17 -0.81 0.00 0.00 175.30 174.63 3h87 s LEU 149 N 1.83 4.37 0.19 -0.88 2.96 -0.38 -4.92 118.68 121.84 3h87 s LEU 149 Ca 0.31 2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 56.67 3h87 s LEU 149 Cb -0.16 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.84 3h87 s LEU 149 CO 0.11 -0.83 1.08 0.42 -1.32 0.00 0.00 176.35 175.81 3h87 s THR 150 N 0.49 3.87 0.03 3.68 -4.23 -1.26 -4.89 115.64 113.33 3h87 s THR 150 Ca 0.65 1.66 -0.25 0.00 -1.18 0.00 0.00 61.69 62.58 3h87 s THR 150 Cb -0.45 -4.06 0.06 0.00 1.34 0.00 0.00 72.50 69.39 3h87 s THR 150 CO 0.39 0.31 0.57 -1.38 -0.54 0.00 0.00 174.62 173.97 3h87 s HIS 151 N -0.41 -0.50 -2.30 3.99 -0.00 -1.26 -4.24 115.29 110.57 3h87 s HIS 151 Ca 0.48 0.64 0.18 0.00 -0.00 0.00 0.00 55.06 56.36 3h87 s HIS 151 Cb -0.29 0.39 0.15 0.00 -0.00 0.00 0.00 32.58 32.83 3h87 s HIS 151 CO 0.35 -0.66 1.08 2.89 -0.00 0.00 0.00 174.74 178.41