#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h07 h SER 7 N 0.00 0.00 -0.98 1.96 0.02 -2.02 -2.93 113.55 109.60 3h07 h SER 7 Ca 0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 3h07 h SER 7 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 3h07 h SER 7 CO 0.00 0.03 0.68 0.44 -1.14 0.00 0.00 176.83 176.84 3h07 h ASP 8 N 0.00 0.16 0.46 3.07 3.45 -2.03 -1.81 116.42 119.73 3h07 h ASP 8 Ca -0.00 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3h07 h ASP 8 Cb 0.75 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3h07 h ASP 8 CO 0.00 0.05 -0.37 0.49 -1.57 0.00 0.00 179.24 177.84 3h07 n PHE 9 N -4.37 0.00 0.00 4.55 3.72 -1.11 -5.06 117.46 115.20 3h07 n PHE 9 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3h07 n PHE 9 Cb 0.95 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 3h07 n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h07 n GLY 10 N 1.44 0.32 3.86 1.37 0.00 -0.68 -4.35 105.19 107.15 3h07 n GLY 10 Ca 0.08 -2.31 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 3h07 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h07 s THR 11 N -0.17 2.96 0.22 2.61 -4.23 -1.26 -4.52 115.64 111.25 3h07 s THR 11 Ca 0.00 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 3h07 s THR 11 Cb 0.00 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.83 3h07 s THR 11 CO 0.00 -0.41 1.67 -0.65 -0.54 0.00 0.00 174.62 174.69 3h07 h PRO 12 N -0.92 0.13 -0.52 3.99 0.11 -1.97 0.37 132.00 133.19 3h07 h PRO 12 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 3h07 h PRO 12 Cb 1.28 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3h07 h PRO 12 CO 0.63 0.09 0.07 -0.39 -0.21 0.00 0.00 178.00 178.18 3h07 h VAL 13 N 0.14 1.25 0.00 3.15 -1.51 -1.94 -3.09 116.25 114.25 3h07 h VAL 13 Ca 0.34 -0.98 -0.04 0.00 -1.23 0.00 0.00 66.70 64.79 3h07 h VAL 13 Cb 0.55 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 3h07 h VAL 13 CO -0.53 0.35 -0.20 -0.33 -1.23 0.00 0.00 177.57 175.63 3h07 h GLU 14 N 0.75 0.00 -0.26 5.19 5.08 -1.57 -0.65 114.58 123.12 3h07 h GLU 14 Ca 0.16 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.33 3h07 h GLU 14 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3h07 h GLU 14 CO 0.01 0.20 -0.56 0.00 -1.00 0.00 0.00 179.01 177.66 3h07 h ARG 15 N 0.00 0.81 0.08 2.33 3.08 -0.26 -0.97 114.38 119.45 3h07 h ARG 15 Ca -0.00 -0.52 -0.26 0.00 0.07 0.00 0.00 59.98 59.27 3h07 h ARG 15 Cb 0.48 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.62 3h07 h ARG 15 CO 0.03 1.15 -1.05 0.28 -1.07 0.00 0.00 179.97 179.31 3h07 h VAL 16 N 0.62 1.33 -0.44 2.04 2.07 -1.40 -1.49 116.25 118.98 3h07 h VAL 16 Ca 0.01 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3h07 h VAL 16 Cb 1.16 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.57 3h07 h VAL 16 CO 0.12 0.71 0.28 -0.33 0.02 0.00 0.00 177.57 178.36 3h07 h GLU 17 N 0.17 0.59 0.00 1.57 5.08 -1.15 -1.38 114.58 119.46 3h07 h GLU 17 Ca -0.15 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 57.96 3h07 h GLU 17 Cb 1.74 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.83 3h07 h GLU 17 CO 0.20 0.40 -1.07 0.00 -1.00 0.00 0.00 179.01 177.55 3h07 h ARG 18 N 0.60 0.00 -0.02 2.33 3.08 -1.07 -2.21 114.38 117.08 3h07 h ARG 18 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3h07 h ARG 18 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3h07 h ARG 18 CO -0.03 0.85 -0.00 0.00 -1.07 0.00 0.00 179.97 179.71 3h07 h ALA 19 N 1.07 0.03 -0.72 0.04 0.00 -0.94 -0.88 119.26 117.86 3h07 h ALA 19 Ca -0.06 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.78 3h07 h ALA 19 Cb 1.76 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 3h07 h ALA 19 CO 0.11 -0.28 0.32 0.82 0.00 0.00 0.00 179.25 180.23 3h07 h ILE 20 N -0.30 0.77 -0.42 0.00 2.04 -1.27 -0.94 117.51 117.39 3h07 h ILE 20 Ca 0.01 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 3h07 h ILE 20 Cb 0.37 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3h07 h ILE 20 CO 0.00 0.10 -0.10 0.44 0.00 0.00 0.00 178.15 178.58 3h07 h ASP 21 N 0.53 0.82 -0.46 1.72 3.32 -1.31 -0.12 116.42 120.91 3h07 h ASP 21 Ca 0.37 -0.36 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3h07 h ASP 21 Cb 0.46 -0.22 -0.08 0.00 0.22 0.00 0.00 39.33 39.71 3h07 h ASP 21 CO -0.32 0.99 -0.05 0.00 -1.72 0.00 0.00 179.24 178.14 3h07 h ALA 22 N 0.85 0.37 -0.17 3.45 0.00 -0.34 -1.93 119.26 121.50 3h07 h ALA 22 Ca 0.11 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3h07 h ALA 22 Cb 0.63 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3h07 h ALA 22 CO 0.04 -0.42 -0.00 -0.07 0.00 0.00 0.00 179.25 178.80 3h07 h LEU 23 N 0.06 0.29 -1.77 0.00 3.38 -0.91 -1.18 115.31 115.18 3h07 h LEU 23 Ca 0.23 -0.31 0.30 0.00 0.09 0.00 0.00 57.88 58.18 3h07 h LEU 23 Cb 0.35 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3h07 h LEU 23 CO -0.43 0.53 0.74 0.03 0.09 0.00 0.00 178.44 179.41 3h07 h ARG 24 N 0.04 0.14 -0.87 1.13 3.08 -0.50 0.22 114.38 117.63 3h07 h ARG 24 Ca 0.05 -0.01 -0.37 0.00 0.07 0.00 0.00 59.98 59.72 3h07 h ARG 24 Cb 0.38 -0.03 -0.22 0.00 0.08 0.00 0.00 29.97 30.18 3h07 h ARG 24 CO 0.01 0.09 0.46 0.09 -1.07 0.00 0.00 179.97 179.56 3h07 n ASN 25 N -4.36 4.27 -1.88 7.04 3.02 -0.77 -4.91 115.26 117.66 3h07 n ASN 25 Ca 0.24 -3.43 -0.16 0.00 -0.03 0.00 0.00 54.58 51.20 3h07 n ASN 25 Cb 1.05 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 39.42 3h07 n ASN 25 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h07 n GLY 26 N -0.67 -0.30 3.77 7.41 0.00 0.78 -5.02 105.19 111.15 3h07 n GLY 26 Ca 0.51 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 3h07 n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h07 s ARG 27 N -4.83 2.28 0.52 1.61 0.52 -0.49 -4.91 118.95 113.65 3h07 s ARG 27 Ca 0.01 -1.79 -0.02 0.00 -0.52 0.00 0.00 55.73 53.41 3h07 s ARG 27 Cb -0.00 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3h07 s ARG 27 CO 0.01 -0.14 0.77 0.20 0.02 0.00 0.00 175.30 176.16 3h07 s GLY 28 N -3.95 1.62 0.11 -3.53 0.00 -1.26 -3.95 107.32 96.36 3h07 s GLY 28 Ca 0.42 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 44.21 3h07 s GLY 28 CO 0.23 -0.74 -0.11 -1.34 0.00 0.00 0.00 173.10 171.14 3h07 s VAL 29 N -2.75 1.05 -0.38 1.40 -7.23 -0.15 -4.08 120.40 108.26 3h07 s VAL 29 Ca 0.52 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.91 3h07 s VAL 29 Cb -0.10 -1.42 0.04 0.00 0.56 0.00 0.00 36.38 35.45 3h07 s VAL 29 CO 0.41 -0.53 0.22 -0.04 -0.31 0.00 0.00 175.10 174.84 3h07 s MET 30 N -2.79 2.79 -0.28 4.82 -1.94 0.50 -0.23 119.30 122.16 3h07 s MET 30 Ca 0.07 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 52.71 3h07 s MET 30 Cb -0.03 -3.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 3h07 s MET 30 CO 0.01 -0.75 0.58 0.08 -0.01 0.00 0.00 175.02 174.94 3h07 s VAL 31 N 1.54 5.00 -0.21 -6.03 1.01 -0.69 -0.70 120.40 120.31 3h07 s VAL 31 Ca 0.02 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 3h07 s VAL 31 Cb -0.20 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3h07 s VAL 31 CO 0.06 -0.03 -0.01 -0.22 0.00 0.00 0.00 175.10 174.90 3h07 s LEU 32 N 2.47 3.15 -0.30 3.92 2.96 0.76 -1.40 118.68 130.24 3h07 s LEU 32 Ca 0.24 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3h07 s LEU 32 Cb -0.15 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.74 3h07 s LEU 32 CO 0.10 0.03 1.26 -0.62 -1.32 0.00 0.00 176.35 175.80 3h07 s ASP 33 N 1.23 6.73 -0.09 3.68 -1.08 0.08 -1.61 116.67 125.60 3h07 s ASP 33 Ca 0.03 1.20 0.13 0.00 -0.52 0.00 0.00 52.55 53.40 3h07 s ASP 33 Cb -0.15 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.01 3h07 s ASP 33 CO 0.01 -1.03 1.14 -0.90 0.52 0.00 0.00 175.17 174.91 3h07 n ASP 34 N 7.44 2.45 0.00 -0.34 3.85 -1.26 -3.22 116.55 125.46 3h07 n ASP 34 Ca 0.14 -2.74 0.00 0.00 -0.71 0.00 0.00 54.79 51.49 3h07 n ASP 34 Cb 0.47 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3h07 n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3h07 n GLU 35 N -0.99 4.16 -2.34 0.11 1.02 -1.26 -5.06 120.64 116.28 3h07 n GLU 35 Ca 0.12 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 3h07 n GLU 35 Cb 0.55 -0.69 0.08 0.00 -0.02 0.00 0.00 31.44 31.35 3h07 n GLU 35 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3h07 s SER 36 N -1.38 4.72 0.23 1.62 0.01 -1.26 -4.97 113.70 112.68 3h07 s SER 36 Ca 0.00 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 3h07 s SER 36 Cb 0.00 -0.83 0.25 0.00 0.21 0.00 0.00 66.02 65.65 3h07 s SER 36 CO 0.00 -1.62 1.72 -0.09 0.41 0.00 0.00 173.24 173.66 3h07 h ARG 37 N -0.51 0.87 -4.45 12.44 2.43 -1.98 -3.35 114.38 119.82 3h07 h ARG 37 Ca -0.43 -0.26 -0.72 0.00 -0.81 0.00 0.00 59.98 57.77 3h07 h ARG 37 Cb 1.30 -0.09 -0.25 0.00 -0.42 0.00 0.00 29.97 30.51 3h07 h ARG 37 CO 0.54 0.88 -0.44 -1.21 -1.51 0.00 0.00 179.97 178.23 3h07 s GLU 38 N -4.96 2.81 0.28 0.20 8.01 -1.26 -5.07 118.70 118.71 3h07 s GLU 38 Ca -0.10 -1.28 -0.29 0.00 0.01 0.00 0.00 54.97 53.31 3h07 s GLU 38 Cb 0.14 -3.89 -0.09 0.00 -4.31 0.00 0.00 34.13 25.98 3h07 s GLU 38 CO 0.83 -0.88 1.11 -0.80 0.01 0.00 0.00 175.26 175.52 3h07 s ASN 39 N 2.05 7.24 -0.14 -0.19 0.01 -1.26 -5.00 114.94 117.66 3h07 s ASN 39 Ca 0.03 2.28 -0.10 0.00 -0.71 0.00 0.00 52.86 54.36 3h07 s ASN 39 Cb -0.22 -2.63 0.04 0.00 0.41 0.00 0.00 41.25 38.86 3h07 s ASN 39 CO 0.06 -0.17 0.35 -0.70 -1.51 0.00 0.00 177.10 175.12 3h07 s GLU 40 N -1.38 0.37 -0.13 -0.60 2.12 -1.20 -4.88 118.70 113.01 3h07 s GLU 40 Ca 0.45 0.57 0.00 0.00 0.36 0.00 0.00 54.97 56.35 3h07 s GLU 40 Cb -0.32 0.10 -0.01 0.00 0.26 0.00 0.00 34.13 34.15 3h07 s GLU 40 CO 0.41 -0.09 -0.14 0.20 -0.54 0.00 0.00 175.26 175.10 3h07 s GLY 41 N 0.64 1.52 -0.00 -1.50 0.00 -1.26 -0.74 107.32 105.97 3h07 s GLY 41 Ca -0.04 -0.90 0.07 0.00 0.00 0.00 0.00 44.72 43.85 3h07 s GLY 41 CO -0.04 -0.19 -0.23 0.99 0.00 0.00 0.00 173.10 173.63 3h07 s ASP 42 N 0.37 2.69 0.07 1.64 1.11 -0.50 -0.34 116.67 121.71 3h07 s ASP 42 Ca -0.11 -0.44 -0.31 0.00 0.18 0.00 0.00 52.55 51.87 3h07 s ASP 42 Cb -0.16 -0.28 -0.06 0.00 1.07 0.00 0.00 42.92 43.49 3h07 s ASP 42 CO 0.06 0.26 1.21 -0.04 1.18 0.00 0.00 175.17 177.84 3h07 s MET 43 N -0.68 4.43 -0.04 8.23 -1.94 0.12 -1.70 119.30 127.71 3h07 s MET 43 Ca 0.09 1.79 0.02 0.00 -1.71 0.00 0.00 55.69 55.88 3h07 s MET 43 Cb -0.09 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.43 3h07 s MET 43 CO -0.00 -0.25 -0.10 0.08 -0.01 0.00 0.00 175.02 174.74 3h07 s VAL 44 N 0.98 0.90 0.09 -6.03 1.01 0.68 -1.55 120.40 116.47 3h07 s VAL 44 Ca 0.58 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3h07 s VAL 44 Cb -0.30 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3h07 s VAL 44 CO 0.30 0.29 -0.12 -0.36 0.00 0.00 0.00 175.10 175.21 3h07 s PHE 45 N 0.48 1.16 0.12 5.22 0.08 -0.35 -0.98 117.98 123.71 3h07 s PHE 45 Ca -0.09 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.10 3h07 s PHE 45 Cb -0.12 -0.63 -0.06 0.00 -0.57 0.00 0.00 43.02 41.63 3h07 s PHE 45 CO 0.02 0.05 1.10 0.00 -0.10 0.00 0.00 175.22 176.28 3h07 s ALA 46 N -1.92 3.34 0.05 5.36 0.00 -1.26 -0.75 121.76 126.58 3h07 s ALA 46 Ca 0.03 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.52 3h07 s ALA 46 Cb -0.06 -3.37 -0.16 0.00 0.00 0.00 0.00 23.12 19.53 3h07 s ALA 46 CO 0.01 -0.26 1.54 0.00 0.00 0.00 0.00 175.76 177.06 3h07 h ALA 47 N 5.79 0.05 -0.09 0.00 0.00 -1.47 -1.65 119.26 121.88 3h07 h ALA 47 Ca -0.43 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.39 3h07 h ALA 47 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3h07 h ALA 47 CO 0.75 -0.34 0.16 1.49 0.00 0.00 0.00 179.25 181.31 3h07 h GLU 48 N -0.14 0.00 -0.01 0.00 4.81 -1.88 -2.57 114.58 114.80 3h07 h GLU 48 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3h07 h GLU 48 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3h07 h GLU 48 CO -0.00 0.00 -0.53 0.00 -0.73 0.00 0.00 179.01 177.75 3h07 n ALA 49 N -2.21 3.59 -2.04 2.92 0.00 -0.73 -5.04 120.51 117.00 3h07 n ALA 49 Ca -0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 3h07 n ALA 49 Cb 0.25 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3h07 n ALA 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3h07 s MET 50 N -2.16 4.50 0.48 0.00 0.00 -0.70 -4.93 119.30 116.49 3h07 s MET 50 Ca 0.09 1.86 0.06 0.00 0.00 0.00 0.00 55.69 57.70 3h07 s MET 50 Cb 0.12 -3.24 0.02 0.00 0.00 0.00 0.00 34.83 31.73 3h07 s MET 50 CO 0.51 -0.06 0.66 0.95 0.00 0.00 0.00 175.02 177.08 3h07 s THR 51 N -0.12 2.84 0.13 10.11 -4.23 -1.26 -4.99 115.64 118.12 3h07 s THR 51 Ca 0.52 -0.88 -0.18 0.00 -1.18 0.00 0.00 61.69 59.98 3h07 s THR 51 Cb -0.32 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 3h07 s THR 51 CO 0.37 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.43 3h07 h LEU 52 N 0.41 0.40 -1.15 4.79 5.85 -1.95 -1.38 115.31 122.28 3h07 h LEU 52 Ca -0.40 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 3h07 h LEU 52 Cb 1.29 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3h07 h LEU 52 CO 0.47 0.37 0.13 -0.33 -0.34 0.00 0.00 178.44 178.74 3h07 h GLU 53 N 0.40 0.73 -0.40 1.25 3.07 -1.98 -0.78 114.58 116.86 3h07 h GLU 53 Ca 0.11 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3h07 h GLU 53 Cb 0.06 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3h07 h GLU 53 CO -0.02 0.65 -0.02 1.96 -1.40 0.00 0.00 179.01 180.19 3h07 h GLN 54 N 0.71 0.66 -0.22 2.33 4.20 -1.86 0.27 115.11 121.21 3h07 h GLN 54 Ca 0.16 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3h07 h GLN 54 Cb 0.25 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3h07 h GLN 54 CO -0.00 0.69 -0.34 1.98 -0.67 0.00 0.00 178.83 180.48 3h07 h MET 55 N 0.62 0.61 -0.37 1.46 4.05 -0.21 -0.91 114.93 120.18 3h07 h MET 55 Ca 0.12 -0.37 0.07 0.00 -0.28 0.00 0.00 59.70 59.24 3h07 h MET 55 Cb 0.42 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 3h07 h MET 55 CO 0.02 0.98 -0.01 0.00 0.23 0.00 0.00 176.91 178.13 3h07 h ALA 56 N 0.62 0.33 -0.71 0.39 0.00 -1.06 -0.15 119.26 118.69 3h07 h ALA 56 Ca 0.02 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3h07 h ALA 56 Cb 0.93 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 3h07 h ALA 56 CO 0.08 -0.40 0.41 1.25 0.00 0.00 0.00 179.25 180.59 3h07 h LEU 57 N 0.09 0.63 -0.69 0.00 5.85 -0.70 0.94 115.31 121.43 3h07 h LEU 57 Ca 0.18 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3h07 h LEU 57 Cb 0.26 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3h07 h LEU 57 CO -0.31 0.41 -0.14 0.74 -0.34 0.00 0.00 178.44 178.80 3h07 h THR 58 N 0.77 1.27 -0.24 1.05 2.02 -0.67 0.31 112.91 117.42 3h07 h THR 58 Ca 0.31 -1.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.13 3h07 h THR 58 Cb 0.15 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3h07 h THR 58 CO -0.16 0.43 -0.27 0.40 0.37 0.00 0.00 175.52 176.29 3h07 h ILE 59 N 0.77 1.32 0.13 3.11 2.04 -0.80 -1.33 117.51 122.75 3h07 h ILE 59 Ca 0.12 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3h07 h ILE 59 Cb 0.66 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3h07 h ILE 59 CO 0.05 0.45 -0.06 -0.09 0.00 0.00 0.00 178.15 178.50 3h07 h ARG 60 N 0.30 -0.17 -0.02 2.37 1.12 -0.44 -3.23 114.38 114.31 3h07 h ARG 60 Ca 0.03 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 3h07 h ARG 60 Cb 0.84 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 3h07 h ARG 60 CO 0.07 -0.09 -0.11 0.72 -3.11 0.00 0.00 179.97 177.44 3h07 n HIS 61 N -5.15 0.00 -2.98 2.20 8.25 0.06 -4.98 115.22 112.62 3h07 n HIS 61 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3h07 n HIS 61 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3h07 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h07 n GLY 62 N 1.33 3.28 0.25 -1.41 0.00 -0.50 -1.48 105.19 106.66 3h07 n GLY 62 Ca 0.14 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.16 3h07 n GLY 62 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h07 h SER 63 N 0.00 0.00 0.00 1.61 4.64 -1.51 -3.42 113.55 114.87 3h07 h SER 63 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h07 h SER 63 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h07 h SER 63 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3h07 n GLY 64 N -0.71 1.78 3.49 -0.77 0.00 -1.26 -4.95 105.19 102.76 3h07 n GLY 64 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3h07 n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h07 s ILE 65 N -2.58 4.74 -0.29 -0.61 1.01 -1.26 -4.97 121.20 117.24 3h07 s ILE 65 Ca 0.00 -2.24 -0.23 0.00 0.00 0.00 0.00 60.65 58.18 3h07 s ILE 65 Cb 0.00 -4.96 -0.00 0.00 0.01 0.00 0.00 42.46 37.51 3h07 s ILE 65 CO 0.00 -1.71 0.76 -0.69 0.00 0.00 0.00 174.94 173.30 3h07 s VAL 66 N 2.46 4.84 -0.00 2.92 1.01 -1.26 -4.72 120.40 125.65 3h07 s VAL 66 Ca 0.44 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.64 3h07 s VAL 66 Cb -0.02 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3h07 s VAL 66 CO -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 175.10 174.95 3h07 s LEU 68 N -1.61 4.90 -0.21 0.00 2.96 -0.41 -1.86 118.68 122.45 3h07 s LEU 68 Ca 0.20 -1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 52.66 3h07 s LEU 68 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3h07 s LEU 68 CO 0.11 -0.46 0.56 0.00 -1.32 0.00 0.00 176.35 175.25 3h07 s ILE 70 N 1.90 0.82 0.76 0.00 -4.36 -0.50 -1.32 121.20 118.51 3h07 s ILE 70 Ca 0.25 -1.31 -0.12 0.00 -0.26 0.00 0.00 60.65 59.21 3h07 s ILE 70 Cb -0.16 -0.97 0.05 0.00 1.25 0.00 0.00 42.46 42.64 3h07 s ILE 70 CO 0.10 -0.39 1.12 0.42 0.24 0.00 0.00 174.94 176.43 3h07 s THR 71 N -1.67 2.97 0.24 8.37 -4.23 -1.26 -1.04 115.64 119.03 3h07 s THR 71 Ca -0.03 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.79 3h07 s THR 71 Cb -0.08 -2.80 0.21 0.00 1.34 0.00 0.00 72.50 71.18 3h07 s THR 71 CO 0.01 -0.36 1.87 -0.78 -0.54 0.00 0.00 174.62 174.82 3h07 h ASP 72 N -0.83 0.91 -0.61 3.99 3.58 -1.96 -1.18 116.42 120.31 3h07 h ASP 72 Ca -0.45 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.10 3h07 h ASP 72 Cb 1.25 -0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 3h07 h ASP 72 CO 0.50 0.61 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.76 3h07 h GLU 73 N 1.06 -0.18 -0.60 0.28 5.08 -1.98 0.89 114.58 119.13 3h07 h GLU 73 Ca 0.36 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3h07 h GLU 73 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3h07 h GLU 73 CO -0.14 -0.12 0.14 -0.09 -1.00 0.00 0.00 179.01 177.80 3h07 h ARG 74 N -0.18 0.97 -0.74 2.33 9.65 -1.80 0.05 114.38 124.66 3h07 h ARG 74 Ca 0.21 -0.24 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3h07 h ARG 74 Cb 0.56 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 3h07 h ARG 74 CO -0.71 0.90 0.30 -0.09 2.80 0.00 0.00 179.97 183.17 3h07 h ARG 75 N 0.88 1.09 -0.00 0.20 2.43 -0.08 -1.01 114.38 117.90 3h07 h ARG 75 Ca 0.19 -0.19 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 3h07 h ARG 75 Cb 0.37 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3h07 h ARG 75 CO 0.00 0.88 -0.90 1.96 -1.51 0.00 0.00 179.97 180.40 3h07 h GLN 76 N 1.07 0.31 -1.00 0.20 4.20 -0.55 -1.62 115.11 117.72 3h07 h GLN 76 Ca 0.25 -0.33 0.14 0.00 0.06 0.00 0.00 58.65 58.77 3h07 h GLN 76 Cb 0.19 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 27.97 3h07 h GLN 76 CO -0.02 1.03 0.62 0.37 -0.67 0.00 0.00 178.83 180.16 3h07 h GLN 77 N 0.18 0.88 -0.03 1.46 4.15 -0.63 -2.45 115.11 118.66 3h07 h GLN 77 Ca -0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.31 3h07 h GLN 77 Cb 1.53 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.02 3h07 h GLN 77 CO 0.15 0.58 0.00 1.28 -1.93 0.00 0.00 178.83 178.91 3h07 n LEU 78 N -4.66 1.42 -4.08 -2.39 4.77 -0.41 -3.99 117.00 107.65 3h07 n LEU 78 Ca 0.20 -0.49 -0.28 0.00 -0.03 0.00 0.00 56.01 55.42 3h07 n LEU 78 Cb 0.43 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 3h07 n LEU 78 CO 0.26 0.24 -0.29 -0.67 -1.33 0.00 0.00 177.39 175.60 3h07 n ASP 79 N 0.11 -0.18 -4.44 -1.43 2.03 -0.77 -4.16 116.55 107.72 3h07 n ASP 79 Ca 0.19 -1.08 -0.43 0.00 0.52 0.00 0.00 54.79 53.98 3h07 n ASP 79 Cb 0.34 -2.62 -0.04 0.00 -0.72 0.00 0.00 41.12 38.08 3h07 n ASP 79 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3h07 s LEU 80 N -7.11 4.60 0.75 -2.67 1.43 -0.68 -5.04 118.68 109.96 3h07 s LEU 80 Ca 0.06 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.96 3h07 s LEU 80 Cb -0.04 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.83 3h07 s LEU 80 CO 0.92 -1.37 1.10 -2.16 0.23 0.00 0.00 176.35 175.08 3h07 s PRO 81 N 3.76 2.34 0.50 1.29 0.04 -1.26 -4.77 135.00 136.91 3h07 s PRO 81 Ca 0.20 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.27 3h07 s PRO 81 Cb -0.18 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 3h07 s PRO 81 CO 0.09 -1.59 1.38 -1.64 0.04 0.00 0.00 177.00 175.29 3h07 s MET 82 N -4.64 3.40 0.16 4.56 -1.94 -1.26 -0.95 119.30 118.62 3h07 s MET 82 Ca 0.63 2.30 -0.16 0.00 -1.71 0.00 0.00 55.69 56.75 3h07 s MET 82 Cb -0.19 -2.44 0.07 0.00 2.01 0.00 0.00 34.83 34.28 3h07 s MET 82 CO 0.52 -1.00 1.75 1.98 -0.01 0.00 0.00 175.02 178.25 3h07 h MET 83 N 1.86 0.27 -6.58 2.03 4.05 -1.21 -3.40 114.93 111.95 3h07 h MET 83 Ca -0.51 -0.02 -0.65 0.00 -0.28 0.00 0.00 59.70 58.24 3h07 h MET 83 Cb 1.28 -0.06 -0.17 0.00 -0.80 0.00 0.00 31.60 31.86 3h07 h MET 83 CO 0.59 0.18 -0.77 0.14 0.23 0.00 0.00 176.91 177.27 3h07 s VAL 84 N -6.16 2.92 -0.58 -5.77 -7.23 -1.26 -4.86 120.40 97.45 3h07 s VAL 84 Ca -0.13 -1.65 0.25 0.00 -1.81 0.00 0.00 61.98 58.63 3h07 s VAL 84 Cb 0.12 -2.40 0.26 0.00 0.56 0.00 0.00 36.38 34.92 3h07 s VAL 84 CO 0.71 -0.02 1.61 0.74 -0.31 0.00 0.00 175.10 177.83 3h07 h THR 85 N 3.15 0.00 -1.88 5.32 2.02 -2.00 -3.43 112.91 116.09 3h07 h THR 85 Ca -0.48 -0.70 -0.20 0.00 0.77 0.00 0.00 66.41 65.81 3h07 h THR 85 Cb 1.19 1.61 -0.30 0.00 -1.74 0.00 0.00 68.15 68.91 3h07 h THR 85 CO 0.50 0.00 -0.53 -2.28 0.37 0.00 0.00 175.52 173.58 3h07 s HIS 86 N -3.16 -0.82 -0.42 3.16 5.65 -1.26 -5.13 115.29 113.30 3h07 s HIS 86 Ca 0.08 0.48 -0.24 0.00 0.25 0.00 0.00 55.06 55.62 3h07 s HIS 86 Cb 0.10 -0.13 0.02 0.00 -1.18 0.00 0.00 32.58 31.39 3h07 s HIS 86 CO 0.65 -0.84 0.85 1.21 -0.65 0.00 0.00 174.74 175.95 3h07 s ASN 87 N 2.51 6.51 0.00 9.88 3.04 -1.26 -4.92 114.94 130.70 3h07 s ASN 87 Ca 0.11 0.19 0.29 0.00 0.04 0.00 0.00 52.86 53.49 3h07 s ASN 87 Cb -0.14 -2.42 1.26 0.00 -1.54 0.00 0.00 41.25 38.41 3h07 s ASN 87 CO -0.23 -0.90 1.87 -1.54 -3.04 0.00 0.00 177.10 173.26 3h07 n SER 88 N 6.78 0.93 0.00 -4.21 3.41 -1.26 -5.04 113.62 114.23 3h07 n SER 88 Ca 0.04 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 3h07 n SER 88 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3h07 n SER 88 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3h07 n SER 89 N -0.36 0.00 0.00 4.04 2.88 -1.26 -5.30 113.62 113.62 3h07 n SER 89 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 3h07 n SER 89 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3h07 n SER 89 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3h07 n THR 93 N 0.00 0.00 -1.33 2.46 -1.04 -1.26 -5.26 114.28 107.85 3h07 n THR 93 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 3h07 n THR 93 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3h07 n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h07 n ALA 94 N 1.44 6.52 -1.89 2.41 0.00 -1.26 -4.95 120.51 122.78 3h07 n ALA 94 Ca 0.00 -2.69 -0.42 0.00 0.00 0.00 0.00 53.44 50.33 3h07 n ALA 94 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 3h07 n ALA 94 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3h07 s PHE 95 N -0.41 3.02 0.61 0.00 0.08 -1.26 -1.93 117.98 118.09 3h07 s PHE 95 Ca 0.62 0.63 -0.08 0.00 0.12 0.00 0.00 56.93 58.22 3h07 s PHE 95 Cb 0.33 -3.96 -0.01 0.00 -0.57 0.00 0.00 43.02 38.82 3h07 s PHE 95 CO -0.12 -3.49 0.96 0.99 -0.10 0.00 0.00 175.22 173.46 3h07 s THR 96 N 0.98 4.04 0.41 0.64 2.01 -0.52 -0.95 115.64 122.25 3h07 s THR 96 Ca 0.69 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.82 3h07 s THR 96 Cb -0.45 -3.62 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 3h07 s THR 96 CO 0.33 -0.72 0.60 1.33 -0.69 0.00 0.00 174.62 175.48 3h07 n VAL 97 N -2.68 1.84 -2.21 3.82 0.24 -0.13 -4.19 118.33 115.02 3h07 n VAL 97 Ca 0.05 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 3h07 n VAL 97 Cb 0.56 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3h07 n VAL 97 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3h07 s THR 98 N -1.42 4.79 0.05 3.34 -4.23 -1.26 -4.59 115.64 112.32 3h07 s THR 98 Ca 0.63 0.61 0.05 0.00 -1.18 0.00 0.00 61.69 61.80 3h07 s THR 98 Cb -0.62 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.34 3h07 s THR 98 CO 0.58 -1.01 -0.14 0.27 -0.54 0.00 0.00 174.62 173.78 3h07 s ILE 99 N -2.97 1.11 0.06 2.99 -4.36 -0.75 -3.25 121.20 114.02 3h07 s ILE 99 Ca 0.52 -1.07 0.07 0.00 -0.26 0.00 0.00 60.65 59.91 3h07 s ILE 99 Cb -0.11 -1.02 -0.03 0.00 1.25 0.00 0.00 42.46 42.56 3h07 s ILE 99 CO 0.49 -0.05 -0.19 -1.61 0.24 0.00 0.00 174.94 173.82 3h07 s GLU 100 N -1.27 1.22 0.09 0.37 0.41 0.12 -2.60 118.70 117.05 3h07 s GLU 100 Ca 0.01 -0.95 -0.36 0.00 -0.41 0.00 0.00 54.97 53.26 3h07 s GLU 100 Cb -0.08 -1.34 -0.15 0.00 -1.78 0.00 0.00 34.13 30.77 3h07 s GLU 100 CO 0.01 0.33 1.47 0.00 -0.49 0.00 0.00 175.26 176.59 3h07 n ALA 101 N 1.67 0.07 0.19 5.21 0.00 -1.26 0.96 120.51 127.35 3h07 n ALA 101 Ca -0.18 0.47 0.03 0.00 0.00 0.00 0.00 53.44 53.77 3h07 n ALA 101 Cb 0.54 -2.21 0.40 0.00 0.00 0.00 0.00 19.45 18.18 3h07 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h07 h ALA 102 N 5.40 1.49 -3.22 0.00 0.00 -0.84 -3.42 119.26 118.68 3h07 h ALA 102 Ca -0.47 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 53.82 3h07 h ALA 102 Cb 1.30 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.83 3h07 h ALA 102 CO 0.84 0.38 -0.76 -1.83 0.00 0.00 0.00 179.25 177.88 3h07 s GLU 103 N -4.39 0.73 0.00 0.00 -1.05 -1.26 -4.92 118.70 107.82 3h07 s GLU 103 Ca -0.03 -0.93 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 3h07 s GLU 103 Cb 0.15 -0.61 0.00 0.00 -0.44 0.00 0.00 34.13 33.23 3h07 s GLU 103 CO 0.72 0.12 0.00 0.41 0.95 0.00 0.00 175.26 177.46 3h07 n GLY 104 N 1.21 0.99 3.28 -3.83 0.00 -1.26 -4.98 105.19 100.61 3h07 n GLY 104 Ca -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3h07 n GLY 104 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h07 s VAL 105 N -2.00 0.01 0.00 1.61 -7.23 -1.26 -4.93 120.40 106.60 3h07 s VAL 105 Ca 0.00 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 3h07 s VAL 105 Cb 0.00 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.58 3h07 s VAL 105 CO 0.00 -0.06 0.00 0.35 -0.31 0.00 0.00 175.10 175.08 3h07 n THR 106 N -0.27 0.00 0.32 5.32 -2.24 -1.26 -4.88 114.28 111.27 3h07 n THR 106 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3h07 n THR 106 Cb 0.65 -0.07 0.30 0.00 -2.10 0.00 0.00 70.33 69.11 3h07 n THR 106 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3h07 h THR 107 N 0.00 0.00 0.00 4.28 1.35 -2.01 -3.47 112.91 113.06 3h07 h THR 107 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3h07 h THR 107 Cb 0.00 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3h07 h THR 107 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3h07 n GLY 108 N 0.95 1.90 0.07 5.82 0.00 -1.26 -4.91 105.19 107.76 3h07 n GLY 108 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 3h07 n GLY 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3h07 n VAL 109 N -2.00 0.82 -0.77 1.61 3.14 -1.26 -3.83 118.33 116.05 3h07 n VAL 109 Ca 0.00 -0.68 -0.31 0.00 -2.96 0.00 0.00 64.34 60.39 3h07 n VAL 109 Cb 0.00 -0.38 0.16 0.00 -1.06 0.00 0.00 33.84 32.56 3h07 n VAL 109 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3h07 s SER 110 N -5.23 3.08 0.22 6.55 1.04 -1.26 -4.71 113.70 113.38 3h07 s SER 110 Ca -0.07 2.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.41 3h07 s SER 110 Cb 0.10 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.84 3h07 s SER 110 CO 0.85 -2.99 1.82 0.00 0.98 0.00 0.00 173.24 173.90 3h07 h ALA 111 N -1.79 1.06 -0.41 5.32 0.00 -1.93 -0.74 119.26 120.76 3h07 h ALA 111 Ca -0.43 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.35 3h07 h ALA 111 Cb 1.26 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3h07 h ALA 111 CO 0.43 0.60 0.23 0.00 0.00 0.00 0.00 179.25 180.51 3h07 h ALA 112 N 1.22 0.52 -0.26 0.00 0.00 -1.91 -2.63 119.26 116.19 3h07 h ALA 112 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3h07 h ALA 112 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3h07 h ALA 112 CO -0.04 -0.11 -0.25 -0.44 0.00 0.00 0.00 179.25 178.41 3h07 h ASP 113 N 0.46 0.51 -0.32 0.00 5.19 -1.65 -1.44 116.42 119.18 3h07 h ASP 113 Ca 0.17 -0.18 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 3h07 h ASP 113 Cb 0.04 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3h07 h ASP 113 CO -0.10 0.76 -0.22 0.03 -3.12 0.00 0.00 179.24 176.59 3h07 h ARG 114 N 0.45 0.81 -0.43 3.56 3.08 -1.05 -1.35 114.38 119.45 3h07 h ARG 114 Ca 0.07 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 3h07 h ARG 114 Cb 0.68 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3h07 h ARG 114 CO 0.05 0.95 0.08 -0.07 -1.07 0.00 0.00 179.97 179.91 3h07 h LEU 115 N 0.70 0.68 -1.23 3.04 3.38 -1.26 -0.71 115.31 119.91 3h07 h LEU 115 Ca 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3h07 h LEU 115 Cb 0.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3h07 h LEU 115 CO 0.06 0.76 0.38 0.74 0.09 0.00 0.00 178.44 180.47 3h07 h THR 116 N 0.57 1.19 -0.27 0.22 2.02 -1.00 0.01 112.91 115.66 3h07 h THR 116 Ca 0.13 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 3h07 h THR 116 Cb 0.37 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3h07 h THR 116 CO 0.01 0.21 0.02 0.74 0.37 0.00 0.00 175.52 176.87 3h07 h THR 117 N 0.92 1.25 -0.32 3.16 2.02 -0.97 -1.99 112.91 116.97 3h07 h THR 117 Ca 0.24 -0.86 0.04 0.00 0.77 0.00 0.00 66.41 66.60 3h07 h THR 117 Cb 0.00 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3h07 h THR 117 CO -0.04 0.28 0.09 0.40 0.37 0.00 0.00 175.52 176.62 3h07 h ILE 118 N 0.26 0.88 -0.46 3.11 2.04 -0.56 -1.18 117.51 121.60 3h07 h ILE 118 Ca 0.08 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3h07 h ILE 118 Cb 0.38 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3h07 h ILE 118 CO 0.01 0.04 0.29 0.03 0.00 0.00 0.00 178.15 178.52 3h07 h ARG 119 N 0.22 0.62 -0.38 2.37 3.08 -0.89 -1.70 114.38 117.70 3h07 h ARG 119 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3h07 h ARG 119 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3h07 h ARG 119 CO -0.17 0.45 0.25 0.87 -1.07 0.00 0.00 179.97 180.30 3h07 h LYS 120 N 0.62 0.50 -0.90 0.04 1.79 -1.32 -1.65 116.57 115.65 3h07 h LYS 120 Ca 0.17 -0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.64 3h07 h LYS 120 Cb -0.02 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.46 3h07 h LYS 120 CO -0.03 0.34 0.58 0.00 -1.08 0.00 0.00 179.45 179.26 3h07 h ALA 121 N 1.14 1.18 -0.02 3.86 0.00 -0.39 -2.86 119.26 122.17 3h07 h ALA 121 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h07 h ALA 121 Cb -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3h07 h ALA 121 CO -0.03 0.45 -0.07 0.44 0.00 0.00 0.00 179.25 180.04 3h07 n ILE 122 N -4.51 0.00 -2.12 0.00 -5.35 -0.72 -4.84 119.36 101.82 3h07 n ILE 122 Ca 0.11 -0.38 -0.36 0.00 -0.27 0.00 0.00 62.75 61.85 3h07 n ILE 122 Cb 0.08 1.14 0.01 0.00 -1.74 0.00 0.00 39.64 39.14 3h07 n ILE 122 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h07 s ALA 123 N -2.09 2.74 0.17 -1.28 0.00 -0.64 -4.91 121.76 115.75 3h07 s ALA 123 Ca 0.29 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.04 3h07 s ALA 123 Cb 0.20 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 20.00 3h07 s ALA 123 CO 0.35 -0.94 1.62 -0.44 0.00 0.00 0.00 175.76 176.35 3h07 h ASP 124 N 1.36 -0.79 -0.98 0.00 3.32 -1.90 -1.48 116.42 115.96 3h07 h ASP 124 Ca -0.50 0.17 -0.66 0.00 0.02 0.00 0.00 57.03 56.06 3h07 h ASP 124 Cb 1.27 0.41 -0.30 0.00 0.22 0.00 0.00 39.33 40.93 3h07 h ASP 124 CO 0.57 -0.26 0.74 0.59 -1.72 0.00 0.00 179.24 179.17 3h07 n ASN 125 N -5.39 7.21 -4.77 6.45 3.02 -1.26 -5.01 115.26 115.50 3h07 n ASN 125 Ca 0.02 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.39 3h07 n ASN 125 Cb 0.31 -0.92 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 3h07 n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h07 s ALA 126 N -3.77 3.49 0.16 5.41 0.00 -0.56 -5.03 121.76 121.47 3h07 s ALA 126 Ca 0.63 1.25 0.09 0.00 0.00 0.00 0.00 51.96 53.93 3h07 s ALA 126 Cb 0.50 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3h07 s ALA 126 CO 0.00 -0.63 -0.19 -1.59 0.00 0.00 0.00 175.76 173.36 3h07 s LYS 127 N -1.78 1.26 0.33 0.00 -2.85 -1.26 -4.77 119.74 110.67 3h07 s LYS 127 Ca 0.49 -1.38 0.12 0.00 -1.00 0.00 0.00 55.97 54.20 3h07 s LYS 127 Cb -0.39 -1.37 1.02 0.00 -2.06 0.00 0.00 37.83 35.03 3h07 s LYS 127 CO 0.53 0.28 1.64 -1.35 0.10 0.00 0.00 175.35 176.55 3h07 h PRO 128 N 3.37 0.20 0.00 1.78 0.11 -1.72 -0.67 132.00 135.07 3h07 h PRO 128 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3h07 h PRO 128 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h07 h PRO 128 CO 0.49 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3h07 h ALA 129 N 1.87 1.00 0.00 -0.75 0.00 -1.96 -1.47 119.26 117.95 3h07 h ALA 129 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 3h07 h ALA 129 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3h07 h ALA 129 CO -0.68 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.13 3h07 h ASP 130 N 0.00 0.00 -3.31 0.00 3.32 -1.52 -3.44 116.42 111.48 3h07 h ASP 130 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3h07 h ASP 130 Cb 0.24 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.46 3h07 h ASP 130 CO 0.00 0.00 -0.87 -0.76 -1.72 0.00 0.00 179.24 175.89 3h07 s LEU 131 N -5.62 2.12 0.31 1.55 1.43 -0.56 -0.16 118.68 117.75 3h07 s LEU 131 Ca 0.02 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 3h07 s LEU 131 Cb 0.09 -1.43 -0.07 0.00 0.03 0.00 0.00 46.19 44.82 3h07 s LEU 131 CO 0.49 0.14 0.65 0.20 0.23 0.00 0.00 176.35 178.05 3h07 s ASN 132 N 0.45 6.59 -0.01 2.29 0.02 0.27 -4.79 114.94 119.76 3h07 s ASN 132 Ca -0.16 1.01 0.04 0.00 -1.02 0.00 0.00 52.86 52.73 3h07 s ASN 132 Cb -0.17 -2.26 -0.01 0.00 0.02 0.00 0.00 41.25 38.82 3h07 s ASN 132 CO 0.06 -0.22 -0.12 -0.13 0.02 0.00 0.00 177.10 176.71 3h07 s ARG 133 N -3.29 1.03 0.50 -0.60 3.00 -1.26 0.15 118.95 118.47 3h07 s ARG 133 Ca 0.49 -0.44 -0.05 0.00 0.00 0.00 0.00 55.73 55.73 3h07 s ARG 133 Cb -0.11 -0.98 0.11 0.00 0.00 0.00 0.00 34.95 33.97 3h07 s ARG 133 CO 0.25 0.25 0.68 -0.35 0.00 0.00 0.00 175.30 176.14 3h07 n PRO 134 N 2.83 -0.28 0.00 3.54 -0.04 -1.26 -5.04 135.00 134.75 3h07 n PRO 134 Ca -0.14 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 3h07 n PRO 134 Cb 0.56 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.42 3h07 n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h07 n GLY 135 N 0.22 2.26 0.59 0.55 0.00 -1.20 -4.20 105.19 103.40 3h07 n GLY 135 Ca 0.10 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3h07 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3h07 n HIS 136 N 0.00 0.47 -5.10 1.61 8.25 -1.08 -4.35 115.22 115.02 3h07 n HIS 136 Ca 0.00 -0.57 -0.32 0.00 -0.26 0.00 0.00 57.72 56.57 3h07 n HIS 136 Cb 0.00 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 30.88 3h07 n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3h07 s VAL 137 N -1.33 2.43 -0.44 1.59 1.01 -1.07 -4.82 120.40 117.77 3h07 s VAL 137 Ca 0.24 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 3h07 s VAL 137 Cb 0.14 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.71 3h07 s VAL 137 CO 0.12 0.56 0.23 -0.36 0.00 0.00 0.00 175.10 175.65 3h07 s PHE 138 N -0.10 3.57 0.41 5.22 0.08 -1.18 -1.82 117.98 124.17 3h07 s PHE 138 Ca -0.04 -2.54 -0.25 0.00 0.12 0.00 0.00 56.93 54.21 3h07 s PHE 138 Cb -0.14 -3.18 -0.08 0.00 -0.57 0.00 0.00 43.02 39.04 3h07 s PHE 138 CO 0.04 -0.94 1.19 -2.14 -0.10 0.00 0.00 175.22 173.27 3h07 s PRO 139 N 0.90 4.00 -0.08 0.24 0.02 -1.26 -1.29 135.00 137.53 3h07 s PRO 139 Ca 0.10 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.04 3h07 s PRO 139 Cb -0.22 -2.66 0.01 0.00 0.02 0.00 0.00 34.50 31.65 3h07 s PRO 139 CO -0.04 -0.38 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.58 3h07 s LEU 140 N -2.54 1.77 -0.27 -5.54 1.43 0.06 -1.44 118.68 112.15 3h07 s LEU 140 Ca 0.58 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 53.02 3h07 s LEU 140 Cb -0.32 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 44.91 3h07 s LEU 140 CO 0.40 0.07 1.02 -0.60 0.23 0.00 0.00 176.35 177.47 3h07 s ARG 141 N 0.60 4.15 0.52 1.70 3.52 -0.81 -1.41 118.95 127.22 3h07 s ARG 141 Ca -0.15 1.15 -0.21 0.00 -0.13 0.00 0.00 55.73 56.38 3h07 s ARG 141 Cb -0.16 -3.69 -0.06 0.00 -1.56 0.00 0.00 34.95 29.48 3h07 s ARG 141 CO 0.05 -0.74 1.23 0.20 -0.81 0.00 0.00 175.30 175.23 3h07 s GLY 142 N 1.43 2.80 0.18 8.12 0.00 -0.20 -4.75 107.32 114.90 3h07 s GLY 142 Ca 0.43 1.07 -0.30 0.00 0.00 0.00 0.00 44.72 45.92 3h07 s GLY 142 CO 0.10 1.53 1.05 1.62 0.00 0.00 0.00 173.10 177.41 3h07 s GLN 143 N -2.94 4.65 0.04 2.90 0.74 -1.26 -4.52 119.66 119.27 3h07 s GLN 143 Ca 0.70 1.65 -0.37 0.00 0.05 0.00 0.00 55.36 57.38 3h07 s GLN 143 Cb -0.32 -3.29 -0.17 0.00 1.10 0.00 0.00 33.01 30.33 3h07 s GLN 143 CO 0.38 0.17 1.36 -2.30 -0.55 0.00 0.00 175.29 174.34 3h07 n PRO 144 N 2.25 1.04 0.00 1.67 -0.02 -1.26 -1.44 135.00 137.24 3h07 n PRO 144 Ca 0.02 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3h07 n PRO 144 Cb 0.47 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3h07 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h07 n GLY 145 N 2.60 0.23 7.00 -1.23 0.00 -1.26 -4.74 105.19 107.79 3h07 n GLY 145 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3h07 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h07 n GLY 146 N -1.88 0.47 0.38 -0.02 0.00 -0.52 -3.07 105.19 100.55 3h07 n GLY 146 Ca 0.00 -0.81 0.20 0.00 0.00 0.00 0.00 46.02 45.41 3h07 n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3h07 h VAL 147 N 0.00 0.60 0.00 1.61 -1.51 -1.78 0.16 116.25 115.32 3h07 h VAL 147 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3h07 h VAL 147 Cb 0.00 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 29.88 3h07 h VAL 147 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.27 3h07 h LEU 148 N 0.00 0.00 0.00 4.19 3.38 -1.90 -2.97 115.31 118.02 3h07 h LEU 148 Ca 0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 3h07 h LEU 148 Cb 0.98 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3h07 h LEU 148 CO -0.00 0.00 -2.10 -1.20 0.09 0.00 0.00 178.44 175.23 3h07 n SER 149 N -2.95 0.95 -3.59 -0.43 7.64 0.46 -4.97 113.62 110.73 3h07 n SER 149 Ca -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 3h07 n SER 149 Cb 0.22 0.97 -0.06 0.00 -1.01 0.00 0.00 64.21 64.33 3h07 n SER 149 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3h07 s ARG 150 N -2.46 0.45 -0.74 1.43 3.52 -0.67 -5.04 118.95 115.44 3h07 s ARG 150 Ca -0.08 1.17 -0.06 0.00 -0.13 0.00 0.00 55.73 56.64 3h07 s ARG 150 Cb 0.05 0.52 -0.04 0.00 -1.56 0.00 0.00 34.95 33.93 3h07 s ARG 150 CO 0.68 -0.29 2.93 0.54 -0.81 0.00 0.00 175.30 178.35 3h07 n ARG 151 N 5.42 3.04 -3.98 5.12 1.74 -1.25 -3.74 116.66 123.01 3h07 n ARG 151 Ca -0.09 -2.24 -0.25 0.00 -0.77 0.00 0.00 57.85 54.50 3h07 n ARG 151 Cb 0.49 -2.33 -0.03 0.00 -1.02 0.00 0.00 32.46 29.57 3h07 n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h07 s GLY 152 N 1.08 1.60 0.40 -0.13 0.00 -1.26 -4.99 107.32 104.03 3h07 s GLY 152 Ca 0.62 -1.12 0.12 0.00 0.00 0.00 0.00 44.72 44.33 3h07 s GLY 152 CO -0.11 -1.13 1.93 0.45 0.00 0.00 0.00 173.10 174.24 3h07 h HIS 153 N 1.98 0.59 -0.57 1.90 3.86 -1.97 -1.54 115.15 119.40 3h07 h HIS 153 Ca -0.49 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.74 3h07 h HIS 153 Cb 1.20 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.46 3h07 h HIS 153 CO 0.53 0.26 0.38 1.15 0.86 0.00 0.00 177.93 181.10 3h07 h THR 154 N 0.53 1.14 -0.17 2.45 2.02 -1.94 -1.17 112.91 115.76 3h07 h THR 154 Ca 0.35 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.12 3h07 h THR 154 Cb 0.63 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 3h07 h THR 154 CO -0.12 0.14 -0.47 -0.33 0.37 0.00 0.00 175.52 175.11 3h07 h GLU 155 N 0.77 0.62 -0.84 6.66 3.07 -1.77 -3.12 114.58 119.97 3h07 h GLU 155 Ca 0.21 -0.44 0.11 0.00 -0.50 0.00 0.00 59.36 58.75 3h07 h GLU 155 Cb -0.08 0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 27.82 3h07 h GLU 155 CO -0.05 1.06 0.46 0.00 -1.40 0.00 0.00 179.01 179.08 3h07 h ALA 156 N 0.56 1.22 -0.37 3.43 0.00 -1.11 -0.29 119.26 122.70 3h07 h ALA 156 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h07 h ALA 156 Cb 1.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3h07 h ALA 156 CO 0.10 0.03 0.10 0.66 0.00 0.00 0.00 179.25 180.14 3h07 h SER 157 N 0.74 0.55 -0.53 0.00 4.64 -1.21 0.43 113.55 118.16 3h07 h SER 157 Ca 0.42 -0.23 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3h07 h SER 157 Cb 0.47 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3h07 h SER 157 CO -0.29 0.63 0.06 0.40 -0.87 0.00 0.00 176.83 176.76 3h07 h ILE 158 N 0.44 1.26 -0.45 0.95 2.04 -1.44 -1.20 117.51 119.11 3h07 h ILE 158 Ca 0.12 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 3h07 h ILE 158 Cb 0.29 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3h07 h ILE 158 CO 0.00 0.36 -0.08 0.44 0.00 0.00 0.00 178.15 178.87 3h07 h ASP 159 N 0.78 0.77 -0.20 1.72 3.32 -0.89 -2.41 116.42 119.51 3h07 h ASP 159 Ca 0.16 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.83 3h07 h ASP 159 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3h07 h ASP 159 CO 0.02 0.89 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.92 3h07 h LEU 160 N 0.72 0.82 -0.48 1.55 3.38 -0.83 0.23 115.31 120.71 3h07 h LEU 160 Ca 0.13 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3h07 h LEU 160 Cb 0.56 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3h07 h LEU 160 CO 0.03 1.14 0.29 0.00 0.09 0.00 0.00 178.44 179.99 3h07 h ALA 161 N 0.89 0.61 0.17 1.53 0.00 -1.06 0.33 119.26 121.71 3h07 h ALA 161 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h07 h ALA 161 Cb 1.00 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3h07 h ALA 161 CO 0.10 -0.01 -0.08 1.15 0.00 0.00 0.00 179.25 180.41 3h07 h THR 162 N 0.58 0.96 -0.89 0.00 2.02 -1.34 -1.41 112.91 112.83 3h07 h THR 162 Ca 0.19 -0.63 0.18 0.00 0.77 0.00 0.00 66.41 66.92 3h07 h THR 162 Cb -0.00 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 3h07 h THR 162 CO -0.08 0.14 0.58 -0.07 0.37 0.00 0.00 175.52 176.47 3h07 h LEU 163 N -0.53 0.52 -0.15 2.58 3.38 -0.84 -0.86 115.31 119.41 3h07 h LEU 163 Ca -0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h07 h LEU 163 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3h07 h LEU 163 CO 0.04 0.23 -0.02 0.00 0.09 0.00 0.00 178.44 178.77 3h07 n ALA 164 N -2.47 2.65 -1.39 1.53 0.00 0.09 -4.92 120.51 116.00 3h07 n ALA 164 Ca 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3h07 n ALA 164 Cb 0.60 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3h07 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h07 n GLY 165 N 1.13 0.59 3.96 0.00 0.00 -0.33 -4.65 105.19 105.89 3h07 n GLY 165 Ca 0.20 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 3h07 n GLY 165 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h07 s TYR 166 N -2.00 2.07 0.48 1.61 2.02 -0.60 -5.02 117.35 115.90 3h07 s TYR 166 Ca 0.00 -0.62 -0.24 0.00 -0.37 0.00 0.00 57.07 55.84 3h07 s TYR 166 Cb 0.00 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.31 3h07 s TYR 166 CO 0.00 -0.60 1.26 1.63 -1.57 0.00 0.00 175.55 176.27 3h07 n LYS 167 N -1.89 1.76 -1.37 -0.62 5.02 -1.26 -4.35 118.16 115.45 3h07 n LYS 167 Ca 0.07 0.64 -0.42 0.00 -2.02 0.00 0.00 58.31 56.58 3h07 n LYS 167 Cb 0.62 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 33.17 3h07 n LYS 167 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h07 n PRO 168 N -0.36 1.83 -3.69 1.97 -0.04 -1.26 -4.56 135.00 128.89 3h07 n PRO 168 Ca 0.08 -2.08 -0.11 0.00 -0.04 0.00 0.00 63.50 61.35 3h07 n PRO 168 Cb 0.42 -3.06 -0.12 0.00 -0.04 0.00 0.00 33.50 30.70 3h07 n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h07 s ALA 169 N 5.02 -0.83 0.24 0.55 0.00 -1.26 -4.10 121.76 121.38 3h07 s ALA 169 Ca 0.56 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.84 3h07 s ALA 169 Cb 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3h07 s ALA 169 CO 0.08 -0.47 0.11 0.20 0.00 0.00 0.00 175.76 175.69 3h07 s GLY 170 N 1.93 1.55 -0.06 0.00 0.00 -0.43 -1.29 107.32 109.01 3h07 s GLY 170 Ca -0.05 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.26 3h07 s GLY 170 CO -0.11 -1.49 -0.17 0.14 0.00 0.00 0.00 173.10 171.47 3h07 s VAL 171 N -2.09 2.78 0.02 1.40 1.01 0.08 -0.24 120.40 123.37 3h07 s VAL 171 Ca 0.32 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3h07 s VAL 171 Cb -0.08 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3h07 s VAL 171 CO 0.23 0.58 0.12 -1.48 0.00 0.00 0.00 175.10 174.54 3h07 s LEU 172 N -0.46 1.68 -0.17 3.92 0.05 -0.78 -1.21 118.68 121.72 3h07 s LEU 172 Ca 0.05 -0.39 -0.15 0.00 0.05 0.00 0.00 54.13 53.69 3h07 s LEU 172 Cb -0.12 0.65 0.05 0.00 -2.05 0.00 0.00 46.19 44.72 3h07 s LEU 172 CO 0.02 -0.46 0.45 0.00 -0.55 0.00 0.00 176.35 175.81 3h07 s GLU 174 N 0.37 4.42 -0.04 0.00 8.01 -1.26 0.12 118.70 130.32 3h07 s GLU 174 Ca -0.01 1.79 -0.30 0.00 0.01 0.00 0.00 54.97 56.46 3h07 s GLU 174 Cb -0.04 -3.35 -0.05 0.00 -4.31 0.00 0.00 34.13 26.38 3h07 s GLU 174 CO -0.01 -0.28 1.45 -1.17 0.01 0.00 0.00 175.26 175.26 3h07 s LEU 175 N 1.13 4.30 0.20 1.80 2.96 0.53 -1.53 118.68 128.07 3h07 s LEU 175 Ca 0.59 2.09 0.09 0.00 -0.22 0.00 0.00 54.13 56.68 3h07 s LEU 175 Cb -0.30 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.80 3h07 s LEU 175 CO 0.29 -0.78 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.57 3h07 s THR 176 N 2.97 3.22 0.43 3.68 2.01 -0.55 -1.68 115.64 125.73 3h07 s THR 176 Ca 0.65 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.94 3h07 s THR 176 Cb -0.31 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3h07 s THR 176 CO 0.25 -0.17 0.63 0.20 -0.69 0.00 0.00 174.62 174.84 3h07 s ASN 177 N -3.03 5.79 0.56 3.53 0.01 0.13 -4.73 114.94 117.21 3h07 s ASN 177 Ca 0.26 0.10 0.34 0.00 -0.71 0.00 0.00 52.86 52.85 3h07 s ASN 177 Cb -0.08 -1.33 1.58 0.00 0.41 0.00 0.00 41.25 41.83 3h07 s ASN 177 CO 0.16 -0.69 2.07 0.44 -1.51 0.00 0.00 177.10 177.57 3h07 h ASP 178 N 0.49 0.00 -0.14 -1.22 3.32 -1.96 0.74 116.42 117.65 3h07 h ASP 178 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3h07 h ASP 178 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3h07 h ASP 178 CO 0.55 0.05 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 3h07 n ASP 179 N -3.23 1.40 0.00 6.45 5.75 -1.26 -4.92 116.55 120.74 3h07 n ASP 179 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3h07 n ASP 179 Cb 0.25 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 3h07 n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h07 n GLY 180 N 1.07 0.97 3.80 6.12 0.00 0.25 -5.04 105.19 112.37 3h07 n GLY 180 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3h07 n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h07 s SER 181 N -2.87 6.97 0.39 1.61 1.04 -1.26 -4.82 113.70 114.77 3h07 s SER 181 Ca 0.00 1.80 -0.24 0.00 0.48 0.00 0.00 55.95 57.99 3h07 s SER 181 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 3h07 s SER 181 CO 0.00 -0.33 1.00 -0.04 0.98 0.00 0.00 173.24 174.85 3h07 s MET 182 N -2.78 4.25 0.33 4.02 -1.94 -1.26 0.22 119.30 122.14 3h07 s MET 182 Ca 0.59 1.37 -0.29 0.00 -1.71 0.00 0.00 55.69 55.65 3h07 s MET 182 Cb -0.14 -2.49 -0.10 0.00 2.01 0.00 0.00 34.83 34.11 3h07 s MET 182 CO 0.19 -0.04 1.31 0.00 -0.01 0.00 0.00 175.02 176.47 3h07 s ALA 183 N -1.79 3.49 0.25 3.03 0.00 -0.67 -4.80 121.76 121.27 3h07 s ALA 183 Ca 0.58 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.83 3h07 s ALA 183 Cb -0.18 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3h07 s ALA 183 CO 0.23 -0.65 0.26 -2.39 0.00 0.00 0.00 175.76 173.22 3h07 n HIS 184 N 0.78 -1.85 -0.11 0.00 1.44 -1.26 -4.43 115.22 109.79 3h07 n HIS 184 Ca 0.00 -0.99 -0.10 0.00 -2.01 0.00 0.00 57.72 54.63 3h07 n HIS 184 Cb 0.42 -0.22 -0.02 0.00 0.12 0.00 0.00 29.99 30.29 3h07 n HIS 184 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3h07 h ALA 185 N 0.53 0.43 -0.96 1.59 0.00 -1.96 0.30 119.26 119.19 3h07 h ALA 185 Ca -0.14 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3h07 h ALA 185 Cb 0.56 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3h07 h ALA 185 CO 0.21 0.02 0.61 -1.35 0.00 0.00 0.00 179.25 178.73 3h07 h PRO 186 N 0.39 1.02 -0.16 0.00 0.11 -1.99 -0.01 132.00 131.36 3h07 h PRO 186 Ca 0.11 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.96 3h07 h PRO 186 Cb 0.17 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.05 3h07 h PRO 186 CO -0.01 0.67 -0.69 0.93 -0.21 0.00 0.00 178.00 178.70 3h07 h GLU 187 N 1.05 0.75 -0.25 1.05 5.08 -1.46 -1.46 114.58 119.33 3h07 h GLU 187 Ca 0.44 -0.59 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3h07 h GLU 187 Cb 0.28 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3h07 h GLU 187 CO -0.21 1.20 0.02 0.28 -1.00 0.00 0.00 179.01 179.31 3h07 h VAL 188 N 0.47 0.84 -0.48 3.13 2.07 0.01 0.21 116.25 122.50 3h07 h VAL 188 Ca -0.04 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3h07 h VAL 188 Cb 1.32 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 3h07 h VAL 188 CO 0.14 0.02 0.09 0.40 0.02 0.00 0.00 177.57 178.25 3h07 h ILE 189 N 0.10 0.73 -0.58 4.57 2.04 -0.96 0.02 117.51 123.43 3h07 h ILE 189 Ca 0.12 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3h07 h ILE 189 Cb 0.14 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3h07 h ILE 189 CO -0.18 0.04 0.38 0.00 0.00 0.00 0.00 178.15 178.39 3h07 h ALA 190 N 1.38 0.74 -0.27 1.87 0.00 -0.95 0.49 119.26 122.51 3h07 h ALA 190 Ca 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3h07 h ALA 190 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3h07 h ALA 190 CO -0.32 0.18 -0.03 0.35 0.00 0.00 0.00 179.25 179.43 3h07 h PHE 191 N 0.79 0.55 -0.03 0.00 3.57 -0.62 0.03 116.94 121.22 3h07 h PHE 191 Ca 0.21 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3h07 h PHE 191 Cb -0.09 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 3h07 h PHE 191 CO -0.03 0.68 -0.28 0.00 -2.23 0.00 0.00 178.31 176.45 3h07 h ALA 192 N 0.80 -0.37 -0.33 2.41 0.00 -0.87 0.58 119.26 121.47 3h07 h ALA 192 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h07 h ALA 192 Cb 0.48 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3h07 h ALA 192 CO 0.02 -0.78 0.19 0.87 0.00 0.00 0.00 179.25 179.55 3h07 h LYS 193 N -0.41 0.45 0.02 0.00 1.57 -0.64 -0.69 116.57 116.87 3h07 h LYS 193 Ca 0.07 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 3h07 h LYS 193 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3h07 h LYS 193 CO -0.27 0.33 -0.99 -0.07 -0.57 0.00 0.00 179.45 177.88 3h07 h LEU 194 N 0.46 0.07 -2.83 2.94 3.38 -0.48 -3.33 115.31 115.52 3h07 h LEU 194 Ca 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h07 h LEU 194 Cb 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3h07 h LEU 194 CO -0.02 1.02 0.00 1.41 0.09 0.00 0.00 178.44 180.94 3h07 n HIS 195 N -3.43 0.76 -3.76 1.13 8.25 0.15 -4.98 115.22 113.34 3h07 n HIS 195 Ca -0.01 -0.51 -0.26 0.00 -0.26 0.00 0.00 57.72 56.68 3h07 n HIS 195 Cb 0.92 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 32.05 3h07 n HIS 195 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3h07 n ASP 196 N 1.10 -4.37 -3.97 0.41 2.03 -0.38 -4.98 116.55 106.39 3h07 n ASP 196 Ca 0.19 -0.71 -0.31 0.00 0.52 0.00 0.00 54.79 54.47 3h07 n ASP 196 Cb 0.54 -4.30 -0.15 0.00 -0.72 0.00 0.00 41.12 36.49 3h07 n ASP 196 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3h07 s MET 197 N -6.34 1.38 0.58 -0.67 -1.94 -0.52 -4.82 119.30 106.96 3h07 s MET 197 Ca 0.48 -1.71 -0.20 0.00 -1.71 0.00 0.00 55.69 52.55 3h07 s MET 197 Cb -0.23 -2.98 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 3h07 s MET 197 CO 0.79 -0.93 1.18 -0.35 -0.01 0.00 0.00 175.02 175.71 3h07 n PRO 198 N 4.36 1.26 -3.38 2.03 -0.04 -1.26 -3.91 135.00 134.06 3h07 n PRO 198 Ca 0.02 0.47 -0.38 0.00 -0.04 0.00 0.00 63.50 63.58 3h07 n PRO 198 Cb 0.42 -2.39 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 3h07 n PRO 198 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3h07 s VAL 199 N -1.39 5.09 0.01 0.52 1.01 -1.26 -0.37 120.40 124.01 3h07 s VAL 199 Ca 0.75 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.68 3h07 s VAL 199 Cb -0.42 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3h07 s VAL 199 CO 0.47 0.44 -0.04 0.54 0.00 0.00 0.00 175.10 176.50 3h07 s VAL 200 N -0.13 0.33 0.35 2.92 0.11 0.12 -4.91 120.40 119.19 3h07 s VAL 200 Ca 0.25 -0.36 -0.04 0.00 -2.93 0.00 0.00 61.98 58.90 3h07 s VAL 200 Cb -0.16 -0.32 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 3h07 s VAL 200 CO 0.12 -0.02 0.61 0.42 -3.33 0.00 0.00 175.10 172.90 3h07 s THR 201 N -0.38 5.01 0.35 5.04 -4.23 -1.26 -0.17 115.64 119.99 3h07 s THR 201 Ca -0.01 -0.01 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 3h07 s THR 201 Cb -0.03 -3.79 0.19 0.00 1.34 0.00 0.00 72.50 70.21 3h07 s THR 201 CO -0.00 -0.49 1.93 0.40 -0.54 0.00 0.00 174.62 175.92 3h07 h ILE 202 N 0.99 1.18 0.36 2.99 2.04 -1.67 -2.55 117.51 120.84 3h07 h ILE 202 Ca -0.48 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 3h07 h ILE 202 Cb 1.20 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3h07 h ILE 202 CO 0.64 0.22 -0.25 -0.78 0.00 0.00 0.00 178.15 177.99 3h07 h ASP 203 N 0.60 -0.63 -0.92 1.72 3.58 -1.94 -0.02 116.42 118.81 3h07 h ASP 203 Ca 0.14 0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.79 3h07 h ASP 203 Cb 0.18 0.20 -0.16 0.00 1.72 0.00 0.00 39.33 41.27 3h07 h ASP 203 CO -0.01 -0.38 -0.32 0.47 -2.88 0.00 0.00 179.24 176.12 3h07 n ASP 204 N -5.38 -0.52 -0.09 2.28 8.00 -1.10 -1.04 116.55 118.71 3h07 n ASP 204 Ca -0.10 1.59 -0.12 0.00 0.71 0.00 0.00 54.79 56.87 3h07 n ASP 204 Cb 0.28 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.94 3h07 n ASP 204 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3h07 h LEU 205 N 0.00 0.57 -0.21 0.64 5.85 -1.07 -1.92 115.31 119.16 3h07 h LEU 205 Ca 0.35 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3h07 h LEU 205 Cb 0.58 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3h07 h LEU 205 CO -0.92 0.84 0.01 0.00 -0.34 0.00 0.00 178.44 178.04 3h07 h ALA 206 N 0.74 0.20 -0.09 1.25 0.00 -0.06 -1.53 119.26 119.76 3h07 h ALA 206 Ca 0.06 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3h07 h ALA 206 Cb 0.62 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3h07 h ALA 206 CO 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 179.25 178.84 3h07 h ALA 207 N 1.17 0.05 -0.73 0.00 0.00 -1.09 -1.16 119.26 117.50 3h07 h ALA 207 Ca 0.10 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3h07 h ALA 207 Cb 0.11 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3h07 h ALA 207 CO -0.15 -0.50 0.41 -0.92 0.00 0.00 0.00 179.25 178.09 3h07 h TYR 208 N -0.01 0.75 -0.29 0.00 5.03 -0.91 -0.93 116.97 120.62 3h07 h TYR 208 Ca 0.05 0.03 -0.13 0.00 2.58 0.00 0.00 58.73 61.25 3h07 h TYR 208 Cb 0.08 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.12 3h07 h TYR 208 CO -0.15 0.35 -0.35 -0.07 -1.32 0.00 0.00 178.16 176.62 3h07 h LEU 209 N 0.74 0.66 -0.18 2.82 3.38 -1.02 -3.08 115.31 118.63 3h07 h LEU 209 Ca 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3h07 h LEU 209 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3h07 h LEU 209 CO -0.20 0.95 0.08 1.56 0.09 0.00 0.00 178.44 180.93 3h07 h GLN 210 N 0.53 0.26 0.00 1.13 4.20 -0.36 -3.52 115.11 117.35 3h07 h GLN 210 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3h07 h GLN 210 Cb 0.85 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3h07 h GLN 210 CO 0.07 0.30 0.00 0.43 -0.67 0.00 0.00 178.83 178.96