#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h7h s GLY 1 N 0.00 2.19 -0.08 3.03 0.00 -1.26 -4.55 107.32 106.65 3h7h s GLY 1 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.29 3h7h s GLY 1 CO 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 173.10 172.49 3h7h s ALA 2 N -1.77 2.19 0.38 3.20 0.00 -1.26 -5.02 121.76 119.48 3h7h s ALA 2 Ca 0.43 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.45 3h7h s ALA 2 Cb -0.12 -0.77 0.76 0.00 0.00 0.00 0.00 23.12 22.99 3h7h s ALA 2 CO 0.24 0.34 2.02 1.25 0.00 0.00 0.00 175.76 179.61 3h7h h LEU 3 N 6.44 0.60 -2.13 0.00 5.85 -1.98 -1.57 115.31 122.53 3h7h h LEU 3 Ca -0.25 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.54 3h7h h LEU 3 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3h7h h LEU 3 CO 0.47 0.43 0.23 -0.08 -0.34 0.00 0.00 178.44 179.15 3h7h h GLU 4 N 0.71 0.00 0.00 1.25 4.81 -2.02 -1.53 114.58 117.80 3h7h h GLU 4 Ca 0.22 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 3h7h h GLU 4 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3h7h h GLU 4 CO -0.05 0.00 -0.47 1.15 -0.73 0.00 0.00 179.01 178.91 3h7h h THR 5 N 0.00 1.13 -3.75 0.32 2.02 -1.66 -3.46 112.91 107.52 3h7h h THR 5 Ca 0.12 -1.73 -0.51 0.00 0.77 0.00 0.00 66.41 65.06 3h7h h THR 5 Cb 0.59 1.99 0.02 0.00 -1.74 0.00 0.00 68.15 69.01 3h7h h THR 5 CO -0.00 0.46 0.51 -0.69 0.37 0.00 0.00 175.52 176.17 3h7h s VAL 6 N -3.66 3.42 0.18 3.16 1.01 -0.58 -4.73 120.40 119.20 3h7h s VAL 6 Ca -0.01 1.38 -0.33 0.00 0.00 0.00 0.00 61.98 63.02 3h7h s VAL 6 Cb 0.12 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.47 3h7h s VAL 6 CO 0.72 0.31 1.41 -2.65 0.00 0.00 0.00 175.10 174.88 3h7h n PRO 7 N 1.41 1.76 0.13 2.72 -0.02 -1.26 -4.87 135.00 134.86 3h7h n PRO 7 Ca 0.00 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 3h7h n PRO 7 Cb 0.44 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 3h7h n PRO 7 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3h7h h LYS 8 N 4.67 0.00 0.00 -0.52 2.10 -1.93 -3.48 116.57 117.41 3h7h h LYS 8 Ca -0.45 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.16 3h7h h LYS 8 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3h7h h LYS 8 CO 0.79 0.57 0.12 -0.40 -2.00 0.00 0.00 179.45 178.53 3h7h n ASP 9 N -3.28 -1.17 -0.85 7.07 5.68 -1.26 -5.07 116.55 117.67 3h7h n ASP 9 Ca 0.01 -1.89 0.12 0.00 -0.50 0.00 0.00 54.79 52.54 3h7h n ASP 9 Cb 0.75 1.98 0.16 0.00 -1.14 0.00 0.00 41.12 42.86 3h7h n ASP 9 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3h7h n LEU 10 N 0.00 2.68 -4.81 -2.12 4.77 -1.26 -4.80 117.00 111.46 3h7h n LEU 10 Ca -0.04 -0.90 -0.38 0.00 -0.03 0.00 0.00 56.01 54.66 3h7h n LEU 10 Cb 0.32 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3h7h n LEU 10 CO 0.15 0.45 0.21 -0.60 -1.33 0.00 0.00 177.39 176.27 3h7h s ARG 11 N -2.05 4.12 -1.43 3.23 3.52 -1.26 -4.32 118.95 120.77 3h7h s ARG 11 Ca 0.29 0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 56.39 3h7h s ARG 11 Cb 0.20 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.38 3h7h s ARG 11 CO 0.33 0.59 1.04 0.72 -0.81 0.00 0.00 175.30 177.18 3h7h n HIS 12 N 2.01 -2.50 -2.27 5.12 8.25 -1.26 -4.74 115.22 119.82 3h7h n HIS 12 Ca -0.11 0.95 -0.39 0.00 -0.26 0.00 0.00 57.72 57.91 3h7h n HIS 12 Cb 0.51 -4.50 -0.02 0.00 1.12 0.00 0.00 29.99 27.10 3h7h n HIS 12 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h7h s LEU 13 N -7.20 4.31 0.06 2.41 1.43 -1.26 -1.46 118.68 116.97 3h7h s LEU 13 Ca 0.54 2.43 0.01 0.00 -1.03 0.00 0.00 54.13 56.08 3h7h s LEU 13 Cb -0.26 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 3h7h s LEU 13 CO 0.78 -0.56 -0.05 -0.13 0.23 0.00 0.00 176.35 176.63 3h7h s ARG 14 N -2.02 0.61 -0.10 1.70 0.52 -0.25 -4.58 118.95 114.82 3h7h s ARG 14 Ca 0.53 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 3h7h s ARG 14 Cb -0.33 -0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.07 3h7h s ARG 14 CO 0.43 -0.03 -0.17 0.00 0.02 0.00 0.00 175.30 175.55 3h7h s ALA 15 N -2.81 2.48 0.18 2.13 0.00 0.06 -2.00 121.76 121.80 3h7h s ALA 15 Ca 0.01 -0.94 -0.32 0.00 0.00 0.00 0.00 51.96 50.71 3h7h s ALA 15 Cb -0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 23.12 21.98 3h7h s ALA 15 CO -0.04 0.33 1.76 0.00 0.00 0.00 0.00 175.76 177.80 3h7h h LEU 17 N 7.43 0.00 0.12 0.00 3.38 -1.45 0.22 115.31 125.01 3h7h h LEU 17 Ca -0.44 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.17 3h7h h LEU 17 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3h7h h LEU 17 CO 0.95 0.00 -1.94 -0.11 0.09 0.00 0.00 178.44 177.44 3h7h n LEU 18 N -2.82 2.58 -0.00 1.67 7.94 -1.26 -4.37 117.00 120.73 3h7h n LEU 18 Ca 0.02 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.16 3h7h n LEU 18 Cb 0.33 -1.12 -0.01 0.00 0.53 0.00 0.00 43.42 43.15 3h7h n LEU 18 CO 0.27 0.81 -0.13 0.00 -1.11 0.00 0.00 177.39 177.22 3h7h n SER 20 N -1.15 -1.37 -4.77 0.00 3.41 0.06 -4.95 113.62 104.85 3h7h n SER 20 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 3h7h n SER 20 Cb 0.02 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3h7h n SER 20 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3h7h n LEU 21 N 0.00 4.73 -4.35 1.04 7.94 -1.26 -0.99 117.00 124.11 3h7h n LEU 21 Ca 0.00 1.21 -0.34 0.00 -1.11 0.00 0.00 56.01 55.77 3h7h n LEU 21 Cb 0.01 -1.61 -0.14 0.00 0.53 0.00 0.00 43.42 42.21 3h7h n LEU 21 CO 0.00 0.06 -0.42 -0.69 -1.11 0.00 0.00 177.39 175.24 3h7h s VAL 22 N -1.13 3.22 0.27 1.96 1.01 0.69 -0.13 120.40 126.30 3h7h s VAL 22 Ca 0.54 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3h7h s VAL 22 Cb -0.48 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3h7h s VAL 22 CO 0.63 0.48 0.42 -0.54 0.00 0.00 0.00 175.10 176.09 3h7h s LYS 23 N 0.83 1.61 0.65 2.72 1.02 -0.85 -4.36 119.74 121.36 3h7h s LYS 23 Ca -0.03 -1.48 -0.13 0.00 0.02 0.00 0.00 55.97 54.35 3h7h s LYS 23 Cb -0.15 0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 37.57 3h7h s LYS 23 CO 0.01 -0.65 1.05 0.95 -0.92 0.00 0.00 175.35 175.79 3h7h s THR 24 N -3.71 4.02 0.25 2.17 -4.23 -1.26 -1.09 115.64 111.79 3h7h s THR 24 Ca 0.28 0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 61.53 3h7h s THR 24 Cb 0.01 -3.44 0.22 0.00 1.34 0.00 0.00 72.50 70.63 3h7h s THR 24 CO 0.13 -0.75 1.78 -0.29 -0.54 0.00 0.00 174.62 174.96 3h7h h ILE 25 N -0.22 0.82 -0.42 2.99 2.10 -1.55 -1.49 117.51 119.74 3h7h h ILE 25 Ca -0.45 -0.24 -0.04 0.00 1.08 0.00 0.00 64.86 65.22 3h7h h ILE 25 Cb 1.21 0.07 -0.02 0.00 -1.09 0.00 0.00 36.82 36.99 3h7h h ILE 25 CO 0.57 0.13 0.10 0.44 -1.08 0.00 0.00 178.15 178.31 3h7h h ASP 26 N 0.69 0.58 -0.34 2.19 3.32 -1.92 -1.12 116.42 119.82 3h7h h ASP 26 Ca 0.42 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 57.23 3h7h h ASP 26 Cb 0.50 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3h7h h ASP 26 CO -0.30 0.58 -0.40 1.56 -1.72 0.00 0.00 179.24 178.95 3h7h h GLN 27 N 0.61 0.90 -0.67 3.56 4.20 -1.66 0.11 115.11 122.17 3h7h h GLN 27 Ca 0.14 -0.48 -0.03 0.00 0.06 0.00 0.00 58.65 58.34 3h7h h GLN 27 Cb 0.23 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3h7h h GLN 27 CO -0.00 1.13 0.29 0.74 -0.67 0.00 0.00 178.83 180.32 3h7h h PHE 28 N 0.73 0.99 -0.28 2.96 -1.00 -1.09 0.22 116.94 119.47 3h7h h PHE 28 Ca 0.06 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 3h7h h PHE 28 Cb 0.99 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3h7h h PHE 28 CO 0.06 0.76 0.17 1.49 -1.61 0.00 0.00 178.31 179.18 3h7h h GLU 29 N 0.93 0.37 -0.16 1.51 4.81 -1.01 0.27 114.58 121.31 3h7h h GLU 29 Ca 0.23 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 3h7h h GLU 29 Cb 0.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3h7h h GLU 29 CO -0.02 0.29 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.19 3h7h h TYR 30 N 0.35 0.74 -0.00 0.92 3.20 -0.61 0.31 116.97 121.89 3h7h h TYR 30 Ca 0.10 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.68 3h7h h TYR 30 Cb 0.01 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3h7h h TYR 30 CO -0.05 1.05 -0.11 -0.25 -1.64 0.00 0.00 178.16 177.17 3h7h n ASP 31 N -4.25 0.24 -0.55 -2.11 8.00 0.05 -4.68 116.55 113.26 3h7h n ASP 31 Ca -0.07 -0.62 0.04 0.00 0.71 0.00 0.00 54.79 54.85 3h7h n ASP 31 Cb 0.56 0.89 -0.01 0.00 -0.02 0.00 0.00 41.12 42.54 3h7h n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h7h n GLY 32 N 0.96 -1.76 3.70 0.44 0.00 0.95 -4.73 105.19 104.75 3h7h n GLY 32 Ca 0.01 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3h7h n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h7h h ASP 34 N 7.00 0.14 0.06 0.00 3.32 -1.98 -2.15 116.42 122.81 3h7h h ASP 34 Ca -0.35 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.35 3h7h h ASP 34 Cb 1.17 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 3h7h h ASP 34 CO 0.80 0.09 -1.93 0.59 -1.72 0.00 0.00 179.24 177.07 3h7h n ASN 35 N -4.47 2.02 -0.50 6.45 3.02 -1.26 -4.75 115.26 115.78 3h7h n ASN 35 Ca 0.05 0.22 0.07 0.00 -0.03 0.00 0.00 54.58 54.89 3h7h n ASN 35 Cb 0.32 -0.82 0.04 0.00 -0.61 0.00 0.00 39.78 38.71 3h7h n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h7h h ASP 37 N 2.43 0.00 -0.29 0.00 3.58 -1.69 0.38 116.42 120.84 3h7h h ASP 37 Ca 0.00 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.53 3h7h h ASP 37 Cb 0.55 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 3h7h h ASP 37 CO 0.00 0.18 0.25 0.00 -2.88 0.00 0.00 179.24 176.79 3h7h h ALA 38 N 1.82 2.08 0.00 -0.78 0.00 -1.86 0.70 119.26 121.22 3h7h h ALA 38 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3h7h h ALA 38 Cb 0.56 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3h7h h ALA 38 CO 0.02 -0.40 -2.21 0.66 0.00 0.00 0.00 179.25 177.33 3h7h n TYR 39 N -4.09 0.00 0.01 0.00 4.01 -0.07 -4.70 117.16 112.32 3h7h n TYR 39 Ca 0.04 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.65 3h7h n TYR 39 Cb 0.40 -0.82 -0.14 0.00 -0.31 0.00 0.00 39.34 38.48 3h7h n TYR 39 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3h7h h LEU 40 N 0.00 0.17 -2.40 7.72 3.38 -0.93 -3.49 115.31 119.77 3h7h h LEU 40 Ca -0.47 -0.33 -0.41 0.00 0.09 0.00 0.00 57.88 56.75 3h7h h LEU 40 Cb 1.74 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 42.50 3h7h h LEU 40 CO -0.07 1.29 -0.88 0.00 0.09 0.00 0.00 178.44 178.87 3h7h n GLN 41 N -3.25 -3.04 0.00 1.13 1.13 0.23 -4.91 117.38 108.67 3h7h n GLN 41 Ca -0.19 0.56 0.11 0.00 -1.94 0.00 0.00 57.00 55.54 3h7h n GLN 41 Cb 1.04 -4.79 0.03 0.00 0.11 0.00 0.00 30.24 26.63 3h7h n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h7h n MET 42 N -4.13 0.01 -1.69 -1.09 0.00 -1.26 -4.87 117.12 104.09 3h7h n MET 42 Ca -0.20 -0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.06 3h7h n MET 42 Cb 0.64 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.32 3h7h n MET 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3h7h n LYS 43 N -1.51 2.44 -1.00 3.17 4.81 -1.26 -1.52 118.16 123.30 3h7h n LYS 43 Ca 0.05 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3h7h n LYS 43 Cb 0.33 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.69 3h7h n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h7h n GLY 44 N 3.72 0.82 2.55 3.14 0.00 0.11 -4.95 105.19 110.57 3h7h n GLY 44 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3h7h n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h7h s ASN 45 N -2.65 3.40 0.37 1.61 3.84 -0.57 -5.00 114.94 115.93 3h7h s ASN 45 Ca 0.00 -1.77 0.11 0.00 0.21 0.00 0.00 52.86 51.41 3h7h s ASN 45 Cb 0.00 -0.49 0.87 0.00 -0.55 0.00 0.00 41.25 41.09 3h7h s ASN 45 CO 0.00 -0.38 1.88 0.03 -2.79 0.00 0.00 177.10 175.84 3h7h h ARG 46 N 7.73 0.61 -0.66 0.43 3.08 -1.93 -1.87 114.38 121.77 3h7h h ARG 46 Ca -0.08 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3h7h h ARG 46 Cb 0.99 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3h7h h ARG 46 CO 0.38 0.40 0.22 0.93 -1.07 0.00 0.00 179.97 180.83 3h7h h GLU 47 N 0.63 1.02 -0.48 0.04 5.08 -1.94 -1.52 114.58 117.40 3h7h h GLU 47 Ca 0.43 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3h7h h GLU 47 Cb 0.76 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3h7h h GLU 47 CO -0.19 0.89 -0.06 1.98 -1.00 0.00 0.00 179.01 180.63 3h7h h MET 48 N 0.96 0.85 -0.30 2.33 4.05 -1.70 -2.19 114.93 118.93 3h7h h MET 48 Ca 0.22 -0.27 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3h7h h MET 48 Cb 0.28 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 3h7h h MET 48 CO -0.01 0.89 0.07 0.28 0.23 0.00 0.00 176.91 178.37 3h7h h VAL 49 N 0.77 0.87 -0.06 -5.77 2.07 -0.72 -0.06 116.25 113.36 3h7h h VAL 49 Ca 0.14 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 3h7h h VAL 49 Cb 0.55 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3h7h h VAL 49 CO 0.03 0.03 -0.00 1.88 0.02 0.00 0.00 177.57 179.53 3h7h h TYR 50 N 0.18 0.08 0.05 1.57 0.05 -1.05 -0.90 116.97 116.95 3h7h h TYR 50 Ca 0.14 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.68 3h7h h TYR 50 Cb 0.13 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3h7h h TYR 50 CO -0.16 0.09 -1.07 -0.44 -1.05 0.00 0.00 178.16 175.53 3h7h h ASP 51 N 0.08 0.24 0.01 3.88 3.32 -0.76 -3.37 116.42 119.83 3h7h h ASP 51 Ca 0.02 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3h7h h ASP 51 Cb 0.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3h7h h ASP 51 CO 0.00 1.15 -1.06 0.00 -1.72 0.00 0.00 179.24 177.61 3h7h s THR 53 N -3.04 1.22 -0.02 0.00 -4.23 -0.37 -1.09 115.64 108.11 3h7h s THR 53 Ca 0.07 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3h7h s THR 53 Cb 0.16 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 3h7h s THR 53 CO 0.87 -0.64 -0.14 -0.55 -0.54 0.00 0.00 174.62 173.61 3h7h s SER 54 N -3.21 1.72 0.00 3.99 0.15 0.20 -4.71 113.70 111.84 3h7h s SER 54 Ca 0.20 -0.27 0.28 0.00 0.70 0.00 0.00 55.95 56.86 3h7h s SER 54 Cb 0.03 -0.26 1.08 0.00 -1.71 0.00 0.00 66.02 65.16 3h7h s SER 54 CO 0.03 0.16 1.81 -1.54 1.20 0.00 0.00 173.24 174.90 3h7h n SER 55 N 2.83 0.15 -4.32 5.45 3.41 -1.26 -0.76 113.62 119.12 3h7h n SER 55 Ca -0.15 0.21 -0.45 0.00 -0.26 0.00 0.00 58.87 58.22 3h7h n SER 55 Cb 0.55 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 64.16 3h7h n SER 55 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3h7h s SER 56 N -2.94 6.14 0.10 4.04 0.01 -1.26 -4.92 113.70 114.87 3h7h s SER 56 Ca 0.15 -1.67 -0.07 0.00 1.31 0.00 0.00 55.95 55.68 3h7h s SER 56 Cb 0.19 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 3h7h s SER 56 CO 0.56 -0.79 0.16 0.72 0.41 0.00 0.00 173.24 174.31 3h7h s PHE 57 N 1.59 0.33 -0.11 2.43 -0.12 -1.26 -0.81 117.98 120.02 3h7h s PHE 57 Ca 0.03 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.17 3h7h s PHE 57 Cb -0.28 -0.15 0.02 0.00 -0.63 0.00 0.00 43.02 41.97 3h7h s PHE 57 CO 0.04 -0.55 -0.15 -0.51 -0.05 0.00 0.00 175.22 173.99 3h7h s ASP 58 N -2.91 2.48 0.24 1.98 1.01 0.27 -4.98 116.67 114.76 3h7h s ASP 58 Ca 0.10 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.92 3h7h s ASP 58 Cb 0.05 -1.10 0.00 0.00 1.01 0.00 0.00 42.92 42.88 3h7h s ASP 58 CO -0.07 0.00 0.00 0.61 0.21 0.00 0.00 175.17 175.92 3h7h n GLY 59 N 4.29 -2.96 3.23 0.21 0.00 -1.26 -1.65 105.19 107.04 3h7h n GLY 59 Ca -0.19 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 3h7h n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h7h s ILE 60 N -3.62 1.23 -0.12 -0.61 -4.36 -1.26 -2.37 121.20 110.10 3h7h s ILE 60 Ca 0.00 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.62 3h7h s ILE 60 Cb 0.00 -1.55 0.03 0.00 1.25 0.00 0.00 42.46 42.19 3h7h s ILE 60 CO 0.00 -0.50 -0.04 -0.63 0.24 0.00 0.00 174.94 174.01 3h7h s ILE 61 N -2.41 0.79 -0.65 8.37 1.01 0.11 -4.83 121.20 123.59 3h7h s ILE 61 Ca 0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 3h7h s ILE 61 Cb -0.03 -0.92 0.05 0.00 0.01 0.00 0.00 42.46 41.57 3h7h s ILE 61 CO 0.02 0.24 1.04 0.00 0.00 0.00 0.00 174.94 176.24 3h7h s ALA 62 N 1.79 3.04 -0.44 9.38 0.00 -1.26 -0.68 121.76 133.58 3h7h s ALA 62 Ca 0.04 -1.53 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 3h7h s ALA 62 Cb -0.13 -3.92 0.03 0.00 0.00 0.00 0.00 23.12 19.09 3h7h s ALA 62 CO -0.07 -2.78 0.53 1.41 0.00 0.00 0.00 175.76 174.84 3h7h s MET 63 N 4.45 3.15 -0.24 0.00 1.75 0.54 -4.92 119.30 124.02 3h7h s MET 63 Ca 0.28 -0.70 -0.08 0.00 -1.25 0.00 0.00 55.69 53.94 3h7h s MET 63 Cb -0.13 -3.99 -0.17 0.00 2.84 0.00 0.00 34.83 33.38 3h7h s MET 63 CO 0.14 -0.97 -0.14 -1.33 -0.65 0.00 0.00 175.02 172.07 3h7h n MET 64 N 5.88 0.63 -3.56 4.11 2.81 -1.26 -1.54 117.12 124.19 3h7h n MET 64 Ca -0.06 0.26 -0.27 0.00 -1.81 0.00 0.00 57.70 55.82 3h7h n MET 64 Cb 0.47 -1.56 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 3h7h n MET 64 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3h7h n SER 65 N -3.81 2.14 0.26 7.83 7.64 -1.26 -4.71 113.62 121.71 3h7h n SER 65 Ca -0.46 -3.04 0.14 0.00 1.01 0.00 0.00 58.87 56.53 3h7h n SER 65 Cb 0.92 -0.68 0.84 0.00 -1.01 0.00 0.00 64.21 64.29 3h7h n SER 65 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3h7h h PRO 66 N 4.89 0.00 0.00 1.43 0.13 -1.87 -1.13 132.00 135.45 3h7h h PRO 66 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3h7h h PRO 66 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3h7h h PRO 66 CO 0.65 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 3h7h n GLU 67 N -3.98 0.08 -2.83 0.86 0.00 -1.26 -3.97 120.64 109.54 3h7h n GLU 67 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 57.16 57.12 3h7h n GLU 67 Cb 0.15 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.12 3h7h n GLU 67 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3h7h n ASP 68 N -1.45 0.57 -3.82 -1.84 2.03 -0.43 -5.08 116.55 106.52 3h7h n ASP 68 Ca 0.07 -2.84 -0.13 0.00 0.52 0.00 0.00 54.79 52.41 3h7h n ASP 68 Cb 0.26 -0.19 -0.14 0.00 -0.72 0.00 0.00 41.12 40.33 3h7h n ASP 68 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3h7h s SER 69 N -2.54 -0.08 0.04 1.67 0.15 -1.21 -4.93 113.70 106.81 3h7h s SER 69 Ca 0.30 0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.95 3h7h s SER 69 Cb 0.41 0.15 -0.20 0.00 -1.71 0.00 0.00 66.02 64.66 3h7h s SER 69 CO -0.02 -0.06 1.18 -0.25 1.20 0.00 0.00 173.24 175.29 3h7h h TRP 70 N 6.37 0.74 -0.75 3.44 7.01 -1.93 -3.26 115.95 127.57 3h7h h TRP 70 Ca -0.30 -0.36 0.11 0.00 2.11 0.00 0.00 58.89 60.45 3h7h h TRP 70 Cb 1.18 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 28.07 3h7h h TRP 70 CO 0.42 1.17 0.37 0.28 -2.79 0.00 0.00 178.44 177.89 3h7h h VAL 71 N 0.10 0.81 -0.10 2.65 2.07 -1.97 -1.43 116.25 118.37 3h7h h VAL 71 Ca -0.06 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3h7h h VAL 71 Cb 1.30 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3h7h h VAL 71 CO 0.13 0.11 -0.26 0.77 0.02 0.00 0.00 177.57 178.34 3h7h h SER 72 N 0.60 0.18 -0.06 0.57 4.64 -1.87 -0.62 113.55 117.00 3h7h h SER 72 Ca 0.38 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 3h7h h SER 72 Cb 0.45 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3h7h h SER 72 CO -0.30 0.45 -0.03 0.11 -0.87 0.00 0.00 176.83 176.19 3h7h h LYS 73 N 0.17 0.12 -1.00 4.77 1.57 -1.35 0.16 116.57 121.01 3h7h h LYS 73 Ca 0.03 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3h7h h LYS 73 Cb 0.56 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3h7h h LYS 73 CO 0.04 0.51 0.65 2.35 -0.57 0.00 0.00 179.45 182.43 3h7h h TRP 74 N -0.27 1.20 -0.01 -1.35 2.91 -0.96 -2.49 115.95 114.98 3h7h h TRP 74 Ca 0.01 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 3h7h h TRP 74 Cb 0.47 -0.40 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3h7h h TRP 74 CO 0.07 0.65 -0.10 1.04 -1.03 0.00 0.00 178.44 179.07 3h7h n GLN 75 N -4.48 1.09 -3.65 2.65 1.13 -0.27 -4.93 117.38 108.93 3h7h n GLN 75 Ca 0.15 -0.52 -0.23 0.00 -1.94 0.00 0.00 57.00 54.45 3h7h n GLN 75 Cb 0.15 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.07 3h7h n GLN 75 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3h7h n ARG 76 N -0.49 -6.50 -0.06 -1.09 1.74 -0.49 -4.90 116.66 104.87 3h7h n ARG 76 Ca 0.16 0.74 0.04 0.00 -0.77 0.00 0.00 57.85 58.03 3h7h n ARG 76 Cb 0.30 -5.65 0.06 0.00 -1.02 0.00 0.00 32.46 26.15 3h7h n ARG 76 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3h7h n VAL 77 N -4.58 1.23 0.30 1.55 0.24 -0.08 -4.83 118.33 112.16 3h7h n VAL 77 Ca -0.12 -1.38 0.18 0.00 -2.04 0.00 0.00 64.34 60.98 3h7h n VAL 77 Cb 0.60 0.24 0.80 0.00 -1.47 0.00 0.00 33.84 34.01 3h7h n VAL 77 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3h7h h SER 78 N 0.00 0.00 -0.43 -1.34 4.64 -1.77 -1.81 113.55 112.84 3h7h h SER 78 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h7h h SER 78 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3h7h h SER 78 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3h7h n ASN 79 N -2.95 3.10 -5.03 4.97 5.03 -1.26 -4.11 115.26 115.00 3h7h n ASN 79 Ca -0.00 -1.95 -0.19 0.00 0.87 0.00 0.00 54.58 53.31 3h7h n ASN 79 Cb 0.22 -0.28 0.04 0.00 -1.02 0.00 0.00 39.78 38.75 3h7h n ASN 79 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3h7h s PHE 80 N -1.44 1.87 0.53 3.10 0.08 -0.68 -5.10 117.98 116.34 3h7h s PHE 80 Ca 0.38 -0.62 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 3h7h s PHE 80 Cb 0.21 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 40.33 3h7h s PHE 80 CO 0.30 -0.91 1.00 0.15 -0.10 0.00 0.00 175.22 175.65 3h7h s LYS 81 N -4.56 3.81 0.36 0.44 1.02 -1.26 -4.81 119.74 114.73 3h7h s LYS 81 Ca 0.60 1.00 -0.28 0.00 0.02 0.00 0.00 55.97 57.30 3h7h s LYS 81 Cb -0.07 -2.11 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 3h7h s LYS 81 CO 0.37 -0.39 1.41 -2.30 -0.92 0.00 0.00 175.35 173.52 3h7h n PRO 82 N -1.71 2.45 0.00 -1.68 -0.02 -1.26 -4.89 135.00 127.89 3h7h n PRO 82 Ca 0.07 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3h7h n PRO 82 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3h7h n PRO 82 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h7h n GLY 83 N 0.66 -0.48 3.74 -1.23 0.00 -0.59 -4.65 105.19 102.65 3h7h n GLY 83 Ca 0.03 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3h7h n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h7h s VAL 84 N -2.00 5.24 0.10 1.61 1.01 -1.26 -0.34 120.40 124.75 3h7h s VAL 84 Ca 0.00 0.71 0.07 0.00 0.00 0.00 0.00 61.98 62.76 3h7h s VAL 84 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3h7h s VAL 84 CO 0.00 0.40 -0.18 -0.31 0.00 0.00 0.00 175.10 175.01 3h7h s TYR 85 N 0.27 1.60 0.36 5.22 2.02 0.14 -0.22 117.35 126.74 3h7h s TYR 85 Ca 0.21 -0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 3h7h s TYR 85 Cb -0.14 -0.87 -0.10 0.00 -0.40 0.00 0.00 41.96 40.44 3h7h s TYR 85 CO 0.07 0.17 0.90 0.00 -1.57 0.00 0.00 175.55 175.12 3h7h s ALA 86 N -1.31 3.17 0.06 3.71 0.00 -0.16 0.07 121.76 127.30 3h7h s ALA 86 Ca 0.05 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 3h7h s ALA 86 Cb -0.09 -3.08 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 3h7h s ALA 86 CO 0.04 0.19 1.38 0.28 0.00 0.00 0.00 175.76 177.65 3h7h h VAL 87 N 2.24 1.33 -3.84 0.00 2.07 -0.93 -3.46 116.25 113.66 3h7h h VAL 87 Ca -0.48 -1.34 -0.21 0.00 0.82 0.00 0.00 66.70 65.49 3h7h h VAL 87 Cb 1.18 1.74 -0.25 0.00 -1.52 0.00 0.00 31.29 32.44 3h7h h VAL 87 CO 0.63 0.41 -0.72 -0.55 0.02 0.00 0.00 177.57 177.37 3h7h s SER 88 N -6.27 0.15 -0.09 0.57 0.15 -0.66 -4.70 113.70 102.85 3h7h s SER 88 Ca -0.13 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.35 3h7h s SER 88 Cb 0.07 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.41 3h7h s SER 88 CO 0.78 -0.11 -0.24 -0.69 1.20 0.00 0.00 173.24 174.18 3h7h s VAL 89 N -0.59 2.01 -0.08 4.45 1.01 -0.61 -0.56 120.40 126.03 3h7h s VAL 89 Ca -0.06 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 3h7h s VAL 89 Cb -0.04 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3h7h s VAL 89 CO -0.00 0.55 0.57 -0.89 0.00 0.00 0.00 175.10 175.32 3h7h s THR 90 N 0.31 5.09 0.00 3.92 2.01 0.01 -2.69 115.64 124.28 3h7h s THR 90 Ca -0.17 1.16 0.00 0.00 0.31 0.00 0.00 61.69 62.98 3h7h s THR 90 Cb -0.17 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.43 3h7h s THR 90 CO 0.08 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3h7h n GLY 91 N 3.03 1.29 2.97 4.40 0.00 -1.26 -4.65 105.19 110.96 3h7h n GLY 91 Ca -0.05 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.80 3h7h n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h7h s ARG 92 N -1.15 0.12 0.45 1.61 3.52 -1.26 -4.81 118.95 117.43 3h7h s ARG 92 Ca 0.00 0.22 -0.25 0.00 -0.13 0.00 0.00 55.73 55.57 3h7h s ARG 92 Cb 0.00 -0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.29 3h7h s ARG 92 CO 0.00 -0.06 1.40 1.28 -0.81 0.00 0.00 175.30 177.11 3h7h n LEU 93 N 3.38 4.94 -4.68 -0.88 4.77 -1.26 -4.94 117.00 118.33 3h7h n LEU 93 Ca -0.17 1.11 -0.40 0.00 -0.03 0.00 0.00 56.01 56.52 3h7h n LEU 93 Cb 0.57 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3h7h n LEU 93 CO 0.21 -0.26 0.81 -2.65 -1.33 0.00 0.00 177.39 174.17 3h7h n PRO 94 N -0.18 1.69 -0.32 3.23 -0.02 -1.26 -4.76 135.00 133.37 3h7h n PRO 94 Ca 0.06 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3h7h n PRO 94 Cb 0.41 -2.34 0.27 0.00 -0.02 0.00 0.00 33.50 31.82 3h7h n PRO 94 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3h7h h GLN 95 N 1.72 0.65 -1.00 -0.52 4.15 -1.99 -0.71 115.11 117.40 3h7h h GLN 95 Ca -0.48 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 58.91 3h7h h GLN 95 Cb 1.31 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.81 3h7h h GLN 95 CO 0.58 0.43 0.66 0.78 -1.93 0.00 0.00 178.83 179.35 3h7h h GLY 96 N 0.67 1.40 1.39 2.39 0.00 -1.99 0.27 103.07 107.19 3h7h h GLY 96 Ca 0.51 -0.52 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 3h7h h GLY 96 CO -0.38 0.51 -0.70 -2.22 0.00 0.00 0.00 176.54 173.75 3h7h h ILE 97 N 1.35 1.32 -0.27 2.60 2.04 -1.54 -2.02 117.51 120.99 3h7h h ILE 97 Ca 0.37 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3h7h h ILE 97 Cb -0.16 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3h7h h ILE 97 CO -0.08 0.62 0.13 0.58 0.00 0.00 0.00 178.15 179.39 3h7h h VAL 98 N 0.43 1.15 -0.75 1.67 2.07 -0.81 0.15 116.25 120.16 3h7h h VAL 98 Ca -0.03 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3h7h h VAL 98 Cb 1.29 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 3h7h h VAL 98 CO 0.13 0.16 0.49 -0.09 0.02 0.00 0.00 177.57 178.28 3h7h h ARG 99 N 0.31 0.95 -0.38 1.57 2.43 -0.97 -0.04 114.38 118.24 3h7h h ARG 99 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3h7h h ARG 99 Cb 0.13 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3h7h h ARG 99 CO -0.01 0.63 0.03 1.49 -1.51 0.00 0.00 179.97 180.59 3h7h h GLU 100 N 0.98 0.65 -0.40 0.20 4.81 -0.98 -1.90 114.58 117.93 3h7h h GLU 100 Ca 0.29 -0.19 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3h7h h GLU 100 Cb -0.05 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.20 3h7h h GLU 100 CO -0.08 0.73 0.01 -0.07 -0.73 0.00 0.00 179.01 178.87 3h7h h LEU 101 N 0.48 -0.14 -1.13 1.64 3.38 -0.39 -2.36 115.31 116.78 3h7h h LEU 101 Ca 0.11 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3h7h h LEU 101 Cb 0.42 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3h7h h LEU 101 CO 0.01 -0.03 0.56 0.50 0.09 0.00 0.00 178.44 179.57 3h7h h LYS 102 N 0.12 1.14 0.00 1.13 3.64 -0.78 -0.76 116.57 121.07 3h7h h LYS 102 Ca 0.20 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 3h7h h LYS 102 Cb 0.27 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3h7h h LYS 102 CO -0.32 0.76 -0.21 0.66 -2.27 0.00 0.00 179.45 178.08 3h7h h SER 103 N 1.17 0.00 -2.21 4.20 4.64 -1.00 -3.41 113.55 116.95 3h7h h SER 103 Ca 0.32 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 61.17 3h7h h SER 103 Cb -0.12 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.06 3h7h h SER 103 CO -0.07 0.21 0.14 -0.13 -0.87 0.00 0.00 176.83 176.12 3h7h s ARG 104 N -3.98 1.47 -0.75 4.77 0.52 -0.35 -4.95 118.95 115.68 3h7h s ARG 104 Ca -0.02 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.05 3h7h s ARG 104 Cb 0.12 -2.28 0.32 0.00 0.52 0.00 0.00 34.95 33.64 3h7h s ARG 104 CO 0.63 -1.62 2.14 0.41 0.02 0.00 0.00 175.30 176.87 3h7h n GLY 105 N -2.97 5.37 3.42 -3.53 0.00 -1.26 -4.87 105.19 101.35 3h7h n GLY 105 Ca 0.16 -2.33 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 3h7h n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h7h s VAL 106 N -4.56 4.32 0.48 1.61 1.01 -0.87 -5.03 120.40 117.37 3h7h s VAL 106 Ca 0.54 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 3h7h s VAL 106 Cb 0.44 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 3h7h s VAL 106 CO -0.31 0.18 0.96 0.00 0.00 0.00 0.00 175.10 175.93 3h7h s ALA 107 N 1.59 3.07 -0.23 5.51 0.00 -1.26 -2.99 121.76 127.45 3h7h s ALA 107 Ca 0.05 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.26 3h7h s ALA 107 Cb -0.16 -3.10 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3h7h s ALA 107 CO 0.04 -0.10 -0.14 -0.47 0.00 0.00 0.00 175.76 175.10 3h7h s TYR 108 N -2.46 3.05 -0.14 0.00 5.04 -1.26 -5.01 117.35 116.57 3h7h s TYR 108 Ca 0.59 -1.96 -0.01 0.00 -2.44 0.00 0.00 57.07 53.26 3h7h s TYR 108 Cb -0.10 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.26 3h7h s TYR 108 CO 0.25 -0.83 -0.12 0.15 -1.34 0.00 0.00 175.55 173.66 3h7h s LYS 109 N 1.21 3.40 0.26 4.97 1.02 -1.26 -5.09 119.74 124.24 3h7h s LYS 109 Ca -0.02 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 54.99 3h7h s LYS 109 Cb -0.17 -2.67 -0.13 0.00 -0.52 0.00 0.00 37.83 34.34 3h7h s LYS 109 CO -0.08 0.18 1.37 0.45 -0.92 0.00 0.00 175.35 176.35 3h7h n SER 110 N 3.62 2.69 -0.43 2.83 2.88 -1.26 -4.89 113.62 119.06 3h7h n SER 110 Ca -0.18 1.16 0.11 0.00 -1.33 0.00 0.00 58.87 58.63 3h7h n SER 110 Cb 0.53 -1.43 0.46 0.00 -0.75 0.00 0.00 64.21 63.02 3h7h n SER 110 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3h7h n ARG 111 N 1.70 1.57 -2.50 -1.46 5.12 -1.26 -4.75 116.66 115.08 3h7h n ARG 111 Ca 0.10 -0.85 -0.42 0.00 -1.93 0.00 0.00 57.85 54.76 3h7h n ARG 111 Cb 0.32 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 3h7h n ARG 111 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3h7h s ASP 112 N -1.69 6.23 0.00 0.55 -1.08 -1.10 -1.58 116.67 118.02 3h7h s ASP 112 Ca 0.34 -0.00 0.24 0.00 -0.52 0.00 0.00 52.55 52.60 3h7h s ASP 112 Cb 0.18 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.30 3h7h s ASP 112 CO 0.28 -1.68 1.27 0.35 0.52 0.00 0.00 175.17 175.90 3h7h n THR 113 N 6.65 0.00 -1.98 1.71 -2.24 -1.26 -4.94 114.28 112.22 3h7h n THR 113 Ca 0.08 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.99 3h7h n THR 113 Cb 0.49 1.43 -0.01 0.00 -2.10 0.00 0.00 70.33 70.14 3h7h n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h7h s ALA 114 N -2.04 3.42 -0.29 6.98 0.00 -1.26 -4.96 121.76 123.61 3h7h s ALA 114 Ca 0.28 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.32 3h7h s ALA 114 Cb 0.20 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3h7h s ALA 114 CO 0.33 -0.86 1.01 0.42 0.00 0.00 0.00 175.76 176.66 3h7h s ILE 115 N -1.18 4.61 -0.66 0.00 1.01 -1.26 -5.00 121.20 118.72 3h7h s ILE 115 Ca 0.53 1.72 -0.14 0.00 0.00 0.00 0.00 60.65 62.76 3h7h s ILE 115 Cb -0.41 -4.34 0.17 0.00 0.01 0.00 0.00 42.46 37.88 3h7h s ILE 115 CO 0.55 -0.36 0.60 -0.54 0.00 0.00 0.00 174.94 175.20 3h7h s LYS 116 N 3.41 3.21 0.00 2.79 1.02 -1.26 -5.32 119.74 123.58 3h7h s LYS 116 Ca 0.43 -2.06 0.00 0.00 0.02 0.00 0.00 55.97 54.36 3h7h s LYS 116 Cb -0.13 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 32.86 3h7h s LYS 116 CO 0.12 -1.30 0.00 2.41 -0.92 0.00 0.00 175.35 175.66