#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4o n GLY -1 N 0.00 2.92 0.09 -0.13 0.00 -1.26 -4.32 105.19 102.48 2c4o n GLY -1 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.07 2c4o n GLY -1 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2c4o h SER 0 N 0.00 0.00 -0.28 1.61 0.02 -1.99 -3.29 113.55 109.62 2c4o h SER 0 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2c4o h SER 0 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2c4o h SER 0 CO 0.00 0.75 -0.40 -0.03 -1.14 0.00 0.00 176.83 176.01 2c4o h MET 1 N 0.00 0.76 -0.09 3.45 1.85 -1.92 -2.42 114.93 116.56 2c4o h MET 1 Ca -0.14 -0.45 -0.10 0.00 -0.61 0.00 0.00 59.70 58.40 2c4o h MET 1 Cb 1.69 0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.77 2c4o h MET 1 CO 0.07 1.08 -0.33 0.00 -0.40 0.00 0.00 176.91 177.33 2c4o h ALA 2 N 0.68 0.16 -0.97 0.39 0.00 -1.74 -2.29 119.26 115.49 2c4o h ALA 2 Ca 0.03 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2c4o h ALA 2 Cb 1.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2c4o h ALA 2 CO 0.09 0.22 0.63 1.25 0.00 0.00 0.00 179.25 181.44 2c4o h LEU 3 N -0.07 1.00 -0.72 0.00 5.85 -1.63 0.22 115.31 119.96 2c4o h LEU 3 Ca -0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 2c4o h LEU 3 Cb 0.96 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2c4o h LEU 3 CO 0.07 0.65 -0.57 0.11 -0.34 0.00 0.00 178.44 178.36 2c4o h LYS 4 N 1.14 0.20 -0.06 1.25 6.56 -1.44 -2.82 116.57 121.39 2c4o h LYS 4 Ca 0.41 -0.13 -0.18 0.00 -1.06 0.00 0.00 60.65 59.69 2c4o h LYS 4 Cb 0.14 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2c4o h LYS 4 CO -0.15 0.71 -0.73 -0.09 -2.06 0.00 0.00 179.45 177.13 2c4o h ARG 5 N 0.15 0.34 0.61 3.15 9.65 -0.53 -2.62 114.38 125.13 2c4o h ARG 5 Ca -0.00 -0.28 -0.03 0.00 -1.10 0.00 0.00 59.98 58.57 2c4o h ARG 5 Cb 1.05 0.06 0.01 0.00 -1.39 0.00 0.00 29.97 29.70 2c4o h ARG 5 CO 0.09 0.93 -0.29 0.82 2.80 0.00 0.00 179.97 184.31 2c4o h ILE 6 N 0.23 0.19 0.00 1.20 2.04 -0.56 -1.84 117.51 118.76 2c4o h ILE 6 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2c4o h ILE 6 Cb 1.30 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 2c4o h ILE 6 CO 0.12 0.03 0.00 1.57 0.00 0.00 0.00 178.15 179.87 2c4o n HIS 7 N -5.34 0.00 0.01 1.37 -0.00 -1.07 -1.00 115.22 109.19 2c4o n HIS 7 Ca -0.11 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.90 2c4o n HIS 7 Cb 0.35 -0.18 -0.14 0.00 -0.12 0.00 0.00 29.99 29.90 2c4o n HIS 7 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 2c4o h LYS 8 N 0.00 0.18 0.01 1.57 3.11 -1.25 -2.96 116.57 117.24 2c4o h LYS 8 Ca 0.00 -0.31 -0.19 0.00 -2.81 0.00 0.00 60.65 57.34 2c4o h LYS 8 Cb 0.09 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 2c4o h LYS 8 CO 0.00 0.97 -0.87 0.93 -2.81 0.00 0.00 179.45 177.67 2c4o h GLU 9 N 0.05 0.06 -0.48 1.90 5.08 -0.20 -2.74 114.58 118.25 2c4o h GLU 9 Ca -0.34 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 2c4o h GLU 9 Cb 2.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 2c4o h GLU 9 CO 0.10 0.89 -0.16 1.25 -1.00 0.00 0.00 179.01 180.10 2c4o h LEU 10 N 0.03 0.96 -0.95 1.33 6.46 -1.34 0.25 115.31 122.06 2c4o h LEU 10 Ca -0.02 -0.38 -0.07 0.00 -0.12 0.00 0.00 57.88 57.29 2c4o h LEU 10 Cb 1.53 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 2c4o h LEU 10 CO 0.12 1.12 -0.01 -0.55 -0.62 0.00 0.00 178.44 178.50 2c4o h ASN 11 N 0.79 0.73 0.19 1.25 7.08 -1.48 0.12 115.58 124.26 2c4o h ASN 11 Ca 0.12 -0.17 -0.21 0.00 -3.08 0.00 0.00 56.30 52.95 2c4o h ASN 11 Cb 0.72 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 2c4o h ASN 11 CO 0.06 0.80 -0.82 0.44 -2.08 0.00 0.00 177.43 175.82 2c4o h ASP 12 N 0.71 0.61 -0.03 6.14 3.32 -1.21 -1.43 116.42 124.53 2c4o h ASP 12 Ca 0.14 -0.43 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 2c4o h ASP 12 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2c4o h ASP 12 CO 0.02 1.20 -0.29 0.25 -1.72 0.00 0.00 179.24 178.70 2c4o h LEU 13 N 0.32 0.49 -0.02 1.55 7.12 -0.14 -2.54 115.31 122.08 2c4o h LEU 13 Ca -0.06 -0.18 -0.20 0.00 0.13 0.00 0.00 57.88 57.58 2c4o h LEU 13 Cb 1.43 -0.14 0.01 0.00 -0.53 0.00 0.00 40.66 41.44 2c4o h LEU 13 CO 0.15 0.77 -0.76 0.00 -0.13 0.00 0.00 178.44 178.47 2c4o h ALA 14 N 1.27 0.13 0.00 1.25 0.00 -0.70 -2.72 119.26 118.49 2c4o h ALA 14 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2c4o h ALA 14 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2c4o h ALA 14 CO 0.06 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.34 2c4o n ARG 15 N -4.07 0.55 -3.02 0.00 3.00 -0.55 -3.59 116.66 108.98 2c4o n ARG 15 Ca -0.10 0.03 -0.15 0.00 -0.01 0.00 0.00 57.85 57.62 2c4o n ARG 15 Cb 0.74 -1.50 0.01 0.00 0.00 0.00 0.00 32.46 31.71 2c4o n ARG 15 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2c4o n ASP 16 N -1.14 -0.45 -4.50 0.55 2.03 -0.96 -5.07 116.55 107.02 2c4o n ASP 16 Ca 0.15 -3.22 -0.41 0.00 0.52 0.00 0.00 54.79 51.82 2c4o n ASP 16 Cb 0.13 0.33 -0.11 0.00 -0.72 0.00 0.00 41.12 40.75 2c4o n ASP 16 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2c4o n PRO 17 N 0.48 0.36 -1.89 -0.67 -0.02 -1.03 -4.78 135.00 127.45 2c4o n PRO 17 Ca 0.18 0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 61.29 2c4o n PRO 17 Cb 0.66 -2.10 0.02 0.00 -0.02 0.00 0.00 33.50 32.07 2c4o n PRO 17 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2c4o s PRO 18 N 8.45 3.47 -0.13 0.52 0.02 -1.26 -4.80 135.00 141.27 2c4o s PRO 18 Ca 1.23 2.21 -0.31 0.00 0.02 0.00 0.00 61.00 64.15 2c4o s PRO 18 Cb -0.95 -2.44 -0.14 0.00 0.02 0.00 0.00 34.50 30.98 2c4o s PRO 18 CO 0.44 -0.92 0.91 0.00 -0.33 0.00 0.00 177.00 177.10 2c4o n ALA 19 N -0.59 -2.12 0.00 -1.55 0.00 -1.26 -3.13 120.51 111.86 2c4o n ALA 19 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2c4o n ALA 19 Cb 0.44 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2c4o n ALA 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2c4o n GLN 20 N 1.74 0.00 -5.12 0.00 1.13 -1.26 -4.78 117.38 109.09 2c4o n GLN 20 Ca 0.17 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 2c4o n GLN 20 Cb 0.02 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.20 2c4o n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2c4o s SER 22 N 0.13 4.24 -0.29 0.00 0.15 0.66 -4.67 113.70 113.92 2c4o s SER 22 Ca -0.10 -0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 2c4o s SER 22 Cb -0.15 -0.84 0.11 0.00 -1.71 0.00 0.00 66.02 63.42 2c4o s SER 22 CO 0.05 0.25 0.69 0.00 1.20 0.00 0.00 173.24 175.44 2c4o s ALA 23 N -1.00 -2.00 -0.13 5.45 0.00 -1.25 -0.60 121.76 122.22 2c4o s ALA 23 Ca 0.17 2.37 -0.34 0.00 0.00 0.00 0.00 51.96 54.16 2c4o s ALA 23 Cb -0.11 -1.62 0.13 0.00 0.00 0.00 0.00 23.12 21.53 2c4o s ALA 23 CO 0.08 -0.65 1.25 0.20 0.00 0.00 0.00 175.76 176.64 2c4o s GLY 24 N 2.22 -0.33 0.32 0.00 0.00 -0.53 -4.97 107.32 104.03 2c4o s GLY 24 Ca -0.08 1.28 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 2c4o s GLY 24 CO -0.19 0.39 1.54 -1.55 0.00 0.00 0.00 173.10 173.28 2c4o n PRO 25 N -0.23 2.63 -1.49 2.90 -0.04 -1.26 -0.48 135.00 137.02 2c4o n PRO 25 Ca -0.03 0.93 -0.33 0.00 -0.04 0.00 0.00 63.50 64.04 2c4o n PRO 25 Cb 0.60 -2.68 -0.05 0.00 -0.04 0.00 0.00 33.50 31.33 2c4o n PRO 25 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2c4o n VAL 26 N 1.45 4.24 0.00 0.52 0.31 -0.34 -4.80 118.33 119.71 2c4o n VAL 26 Ca 0.06 -2.99 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 2c4o n VAL 26 Cb 0.37 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 2c4o n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c4o n GLY 27 N 2.43 0.45 0.12 2.92 0.00 -1.26 -4.77 105.19 105.08 2c4o n GLY 27 Ca 0.63 -0.99 0.02 0.00 0.00 0.00 0.00 46.02 45.69 2c4o n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4o n ASP 28 N 0.00 2.22 -4.53 1.61 9.92 -1.26 -4.95 116.55 119.55 2c4o n ASP 28 Ca 0.00 -2.14 -0.38 0.00 -0.53 0.00 0.00 54.79 51.74 2c4o n ASP 28 Cb 0.00 -0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.27 2c4o n ASP 28 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2c4o s ASP 29 N -1.22 5.79 0.44 -2.24 -1.08 -1.26 -4.96 116.67 112.14 2c4o s ASP 29 Ca 0.08 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.20 2c4o s ASP 29 Cb 0.06 -2.07 0.84 0.00 -1.46 0.00 0.00 42.92 40.28 2c4o s ASP 29 CO 0.03 -0.10 1.78 -0.03 0.52 0.00 0.00 175.17 177.37 2c4o h MET 30 N 8.36 0.00 -0.01 4.34 1.85 -1.98 -3.04 114.93 124.45 2c4o h MET 30 Ca -0.35 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 2c4o h MET 30 Cb 1.18 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.21 2c4o h MET 30 CO 0.58 0.00 -0.07 1.19 -0.40 0.00 0.00 176.91 178.21 2c4o n PHE 31 N -2.92 0.00 -3.95 1.39 3.01 -1.26 -4.68 117.46 109.05 2c4o n PHE 31 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 2c4o n PHE 31 Cb 0.41 -0.05 -0.16 0.00 -0.01 0.00 0.00 39.48 39.67 2c4o n PHE 31 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2c4o s HIS 32 N -2.17 2.37 0.42 1.38 2.46 -1.15 -1.58 115.29 117.03 2c4o s HIS 32 Ca 0.35 -1.68 0.07 0.00 0.47 0.00 0.00 55.06 54.27 2c4o s HIS 32 Cb 0.21 -1.58 -0.05 0.00 -0.13 0.00 0.00 32.58 31.03 2c4o s HIS 32 CO 0.40 -0.76 0.17 -1.58 -2.47 0.00 0.00 174.74 170.50 2c4o s TRP 33 N 1.41 2.52 0.01 3.88 0.52 0.85 -1.20 118.94 126.93 2c4o s TRP 33 Ca -0.04 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.46 2c4o s TRP 33 Cb -0.18 -1.93 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2c4o s TRP 33 CO -0.07 0.18 -0.03 -1.14 0.02 0.00 0.00 176.95 175.91 2c4o s GLN 34 N -3.90 0.28 0.01 4.98 0.74 0.36 -1.29 119.66 120.83 2c4o s GLN 34 Ca 0.39 -0.35 0.01 0.00 0.05 0.00 0.00 55.36 55.45 2c4o s GLN 34 Cb 0.04 -0.11 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 2c4o s GLN 34 CO 0.21 0.02 -0.04 0.00 -0.55 0.00 0.00 175.29 174.94 2c4o s ALA 35 N -0.69 0.25 -0.08 1.58 0.00 -0.22 -1.45 121.76 121.15 2c4o s ALA 35 Ca -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 51.96 51.61 2c4o s ALA 35 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2c4o s ALA 35 CO -0.00 -0.01 -0.21 0.95 0.00 0.00 0.00 175.76 176.49 2c4o s THR 36 N -0.59 1.78 -0.17 0.00 -4.23 0.23 0.33 115.64 112.98 2c4o s THR 36 Ca -0.05 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2c4o s THR 36 Cb -0.04 -1.54 0.04 0.00 1.34 0.00 0.00 72.50 72.29 2c4o s THR 36 CO -0.00 0.50 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.87 2c4o s ILE 37 N 0.33 1.28 -0.31 2.99 1.09 0.30 -0.25 121.20 126.63 2c4o s ILE 37 Ca -0.15 -0.70 -0.26 0.00 -1.10 0.00 0.00 60.65 58.45 2c4o s ILE 37 Cb -0.16 -1.39 0.01 0.00 -1.06 0.00 0.00 42.46 39.85 2c4o s ILE 37 CO 0.06 0.19 0.92 -0.04 -0.10 0.00 0.00 174.94 175.97 2c4o s MET 38 N 1.57 4.01 0.21 2.79 -1.94 -1.25 -0.06 119.30 124.62 2c4o s MET 38 Ca 0.01 0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 54.51 2c4o s MET 38 Cb -0.15 -3.73 -0.17 0.00 2.01 0.00 0.00 34.83 32.79 2c4o s MET 38 CO -0.08 -0.78 0.66 0.41 -0.01 0.00 0.00 175.02 175.22 2c4o n GLY 39 N 4.04 -1.35 3.41 -0.03 0.00 0.79 -4.84 105.19 107.22 2c4o n GLY 39 Ca 0.07 0.36 -0.38 0.00 0.00 0.00 0.00 46.02 46.08 2c4o n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c4o n PRO 40 N 0.99 0.35 -0.12 1.61 -0.02 -1.26 -4.29 135.00 132.26 2c4o n PRO 40 Ca 0.16 0.14 -0.07 0.00 -2.02 0.00 0.00 63.50 61.72 2c4o n PRO 40 Cb 0.25 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.15 2c4o n PRO 40 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2c4o h ASN 41 N -0.01 0.28 -1.01 2.55 4.21 -1.94 -3.17 115.58 116.48 2c4o h ASN 41 Ca -0.45 0.02 -0.59 0.00 1.21 0.00 0.00 56.30 56.49 2c4o h ASN 41 Cb 1.39 -0.04 -0.40 0.00 -1.12 0.00 0.00 38.32 38.16 2c4o h ASN 41 CO 0.44 0.21 -0.44 0.47 -1.29 0.00 0.00 177.43 176.81 2c4o n ASP 42 N -4.93 5.45 -4.64 5.81 8.00 -1.26 -4.67 116.55 120.31 2c4o n ASP 42 Ca 0.01 -3.75 -0.24 0.00 0.71 0.00 0.00 54.79 51.52 2c4o n ASP 42 Cb 0.09 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.61 2c4o n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c4o s SER 43 N -3.19 4.32 0.00 -2.24 1.04 -1.21 -5.00 113.70 107.42 2c4o s SER 43 Ca 0.53 -0.86 0.07 0.00 0.48 0.00 0.00 55.95 56.16 2c4o s SER 43 Cb 0.42 -0.63 0.36 0.00 0.10 0.00 0.00 66.02 66.27 2c4o s SER 43 CO -0.04 -0.17 1.08 -0.81 0.98 0.00 0.00 173.24 174.28 2c4o n PRO 44 N -0.95 0.10 -0.36 4.02 -0.04 -1.26 -1.77 135.00 134.74 2c4o n PRO 44 Ca -0.05 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2c4o n PRO 44 Cb 0.61 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.87 2c4o n PRO 44 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2c4o n TYR 45 N -1.28 0.94 -1.71 0.54 4.01 -1.26 -3.54 117.16 114.86 2c4o n TYR 45 Ca 0.03 -0.46 -0.40 0.00 -0.16 0.00 0.00 57.90 56.91 2c4o n TYR 45 Cb 0.06 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 2c4o n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4o n GLN 46 N 1.44 1.86 -0.10 -0.72 0.00 -0.73 -1.99 117.38 117.14 2c4o n GLN 46 Ca 0.23 0.67 0.00 0.00 0.00 0.00 0.00 57.00 57.89 2c4o n GLN 46 Cb 0.59 -2.42 0.00 0.00 0.00 0.00 0.00 30.24 28.41 2c4o n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2c4o n GLY 47 N 0.82 2.73 3.91 2.61 0.00 -1.26 -4.96 105.19 109.03 2c4o n GLY 47 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2c4o n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4o s GLY 48 N -2.00 2.10 -0.16 -0.02 0.00 -0.84 -4.65 107.32 101.75 2c4o s GLY 48 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2c4o s GLY 48 CO 0.00 -0.60 -0.20 0.14 0.00 0.00 0.00 173.10 172.44 2c4o s VAL 49 N -1.72 2.19 -0.13 1.40 1.01 -0.50 -0.15 120.40 122.50 2c4o s VAL 49 Ca 0.40 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2c4o s VAL 49 Cb -0.12 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 2c4o s VAL 49 CO 0.26 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.38 2c4o s PHE 50 N 0.96 2.75 -0.02 5.22 0.08 0.91 -4.70 117.98 123.18 2c4o s PHE 50 Ca -0.03 -0.79 -0.02 0.00 0.12 0.00 0.00 56.93 56.21 2c4o s PHE 50 Cb -0.15 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2c4o s PHE 50 CO -0.05 -0.30 0.13 -0.06 -0.10 0.00 0.00 175.22 174.84 2c4o s PHE 51 N 0.42 3.42 0.07 0.36 0.40 -1.26 0.11 117.98 121.51 2c4o s PHE 51 Ca -0.12 0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.55 2c4o s PHE 51 Cb -0.16 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 2c4o s PHE 51 CO 0.06 0.61 -0.11 -0.51 0.70 0.00 0.00 175.22 175.96 2c4o s LEU 52 N -1.72 2.32 -0.12 -0.37 1.43 0.15 -0.60 118.68 119.77 2c4o s LEU 52 Ca 0.24 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 2c4o s LEU 52 Cb -0.12 -0.35 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2c4o s LEU 52 CO 0.15 -0.18 -0.01 -0.89 0.23 0.00 0.00 176.35 175.64 2c4o s THR 53 N -1.75 4.14 -0.06 5.49 2.01 0.06 -1.06 115.64 124.48 2c4o s THR 53 Ca -0.01 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.74 2c4o s THR 53 Cb -0.07 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 2c4o s THR 53 CO 0.01 0.55 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.66 2c4o s ILE 54 N -0.27 1.66 -0.21 1.82 1.01 -0.41 -1.89 121.20 122.92 2c4o s ILE 54 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 2c4o s ILE 54 Cb -0.12 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 40.98 2c4o s ILE 54 CO 0.02 0.47 0.03 -1.00 0.00 0.00 0.00 174.94 174.46 2c4o s HIS 55 N 0.06 1.24 0.13 3.97 3.76 -0.65 -0.10 115.29 123.71 2c4o s HIS 55 Ca -0.06 -1.02 -0.30 0.00 -0.15 0.00 0.00 55.06 53.53 2c4o s HIS 55 Cb -0.13 -1.13 -0.06 0.00 1.11 0.00 0.00 32.58 32.36 2c4o s HIS 55 CO 0.04 -0.65 1.01 -0.06 -0.85 0.00 0.00 174.74 174.23 2c4o s PHE 56 N 1.78 3.74 0.46 1.40 0.40 -0.61 -0.86 117.98 124.28 2c4o s PHE 56 Ca -0.01 1.72 -0.23 0.00 -0.60 0.00 0.00 56.93 57.81 2c4o s PHE 56 Cb -0.17 -3.14 -0.07 0.00 0.51 0.00 0.00 43.02 40.15 2c4o s PHE 56 CO -0.08 -0.10 1.16 -1.25 0.70 0.00 0.00 175.22 175.65 2c4o s PRO 57 N -0.12 3.77 0.00 0.24 0.04 -1.26 -4.86 135.00 132.81 2c4o s PRO 57 Ca 0.48 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2c4o s PRO 57 Cb -0.26 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 31.88 2c4o s PRO 57 CO 0.31 -0.54 0.28 -2.37 0.04 0.00 0.00 177.00 174.73 2c4o n THR 58 N -0.47 0.00 -1.37 1.26 5.66 -1.26 -0.75 114.28 117.35 2c4o n THR 58 Ca 0.07 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.12 2c4o n THR 58 Cb 0.48 -0.76 0.06 0.00 -1.55 0.00 0.00 70.33 68.56 2c4o n THR 58 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2c4o n ASP 59 N -0.77 1.19 -4.64 1.09 8.00 -1.26 -4.42 116.55 115.74 2c4o n ASP 59 Ca 0.00 -2.41 -0.38 0.00 0.71 0.00 0.00 54.79 52.71 2c4o n ASP 59 Cb 0.00 -0.27 0.05 0.00 -0.02 0.00 0.00 41.12 40.88 2c4o n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c4o n TYR 60 N -0.67 1.13 0.36 1.24 9.36 0.07 -2.00 117.16 126.65 2c4o n TYR 60 Ca 0.07 0.44 0.06 0.00 3.32 0.00 0.00 57.90 61.79 2c4o n TYR 60 Cb 0.63 -2.18 0.21 0.00 -0.63 0.00 0.00 39.34 37.36 2c4o n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2c4o n PRO 61 N -1.05 2.46 0.00 2.98 -0.04 -1.26 -3.73 135.00 134.36 2c4o n PRO 61 Ca 0.13 -1.68 0.10 0.00 -0.04 0.00 0.00 63.50 62.02 2c4o n PRO 61 Cb 0.47 -1.55 0.47 0.00 -0.04 0.00 0.00 33.50 32.85 2c4o n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c4o n PHE 62 N 0.64 0.00 -4.35 0.54 3.01 -0.85 -3.94 117.46 112.52 2c4o n PHE 62 Ca 0.15 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.43 2c4o n PHE 62 Cb 0.52 -0.39 -0.15 0.00 -0.01 0.00 0.00 39.48 39.46 2c4o n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2c4o s LYS 63 N -2.77 0.71 0.52 -1.08 1.02 -1.25 -4.91 119.74 111.98 2c4o s LYS 63 Ca 0.15 -0.34 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 2c4o s LYS 63 Cb 0.13 -0.69 -0.06 0.00 -0.52 0.00 0.00 37.83 36.70 2c4o s LYS 63 CO 0.33 0.19 1.15 -1.25 -0.92 0.00 0.00 175.35 174.86 2c4o s PRO 64 N -0.27 3.44 0.53 -1.68 0.04 -1.26 -4.54 135.00 131.27 2c4o s PRO 64 Ca 0.03 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 2c4o s PRO 64 Cb -0.04 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 2c4o s PRO 64 CO -0.00 -0.80 1.02 -1.25 0.04 0.00 0.00 177.00 176.01 2c4o s PRO 65 N -3.09 3.69 -0.49 0.56 0.04 -1.26 -4.49 135.00 129.96 2c4o s PRO 65 Ca 0.70 1.16 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2c4o s PRO 65 Cb -0.26 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2c4o s PRO 65 CO 0.30 -0.50 0.65 0.15 0.04 0.00 0.00 177.00 177.64 2c4o s LYS 66 N -3.81 3.17 -0.12 4.56 -0.14 -0.04 -4.90 119.74 118.45 2c4o s LYS 66 Ca 0.63 -0.74 -0.01 0.00 -1.36 0.00 0.00 55.97 54.49 2c4o s LYS 66 Cb -0.14 -4.06 -0.03 0.00 -1.68 0.00 0.00 37.83 31.93 2c4o s LYS 66 CO 0.29 -1.19 -0.07 0.08 -0.76 0.00 0.00 175.35 173.71 2c4o s VAL 67 N 2.76 3.68 -0.00 3.17 1.01 -1.26 -1.63 120.40 128.12 2c4o s VAL 67 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2c4o s VAL 67 Cb -0.18 -2.56 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 2c4o s VAL 67 CO 0.14 0.54 0.12 0.00 0.00 0.00 0.00 175.10 175.89 2c4o s ALA 68 N -0.07 -0.28 -0.01 5.51 0.00 -0.79 -4.44 121.76 121.68 2c4o s ALA 68 Ca 0.01 -0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 2c4o s ALA 68 Cb -0.13 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2c4o s ALA 68 CO 0.03 -0.19 0.83 -0.06 0.00 0.00 0.00 175.76 176.37 2c4o s PHE 69 N -1.26 3.65 -0.03 0.00 0.40 0.12 -0.76 117.98 120.10 2c4o s PHE 69 Ca -0.13 1.49 0.19 0.00 -0.60 0.00 0.00 56.93 57.88 2c4o s PHE 69 Cb -0.07 -2.94 -0.30 0.00 0.51 0.00 0.00 43.02 40.21 2c4o s PHE 69 CO 0.01 0.09 0.41 2.41 0.70 0.00 0.00 175.22 178.84 2c4o n THR 70 N 3.61 0.04 -3.52 0.64 -1.04 0.24 -4.24 114.28 110.00 2c4o n THR 70 Ca 0.02 -0.45 -0.37 0.00 -2.04 0.00 0.00 64.05 61.20 2c4o n THR 70 Cb 0.51 0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.99 2c4o n THR 70 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2c4o s THR 71 N -3.32 5.22 0.45 12.58 2.01 -1.18 -4.96 115.64 126.44 2c4o s THR 71 Ca -0.07 0.67 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 2c4o s THR 71 Cb 0.12 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 2c4o s THR 71 CO 0.80 0.46 1.34 -0.13 -0.69 0.00 0.00 174.62 176.41 2c4o s ARG 72 N -0.16 3.73 -0.09 4.92 0.52 -1.26 -4.89 118.95 121.73 2c4o s ARG 72 Ca 0.20 2.23 -0.23 0.00 -0.52 0.00 0.00 55.73 57.41 2c4o s ARG 72 Cb -0.14 -2.62 0.05 0.00 0.52 0.00 0.00 34.95 32.76 2c4o s ARG 72 CO 0.08 -0.71 0.54 -1.50 0.02 0.00 0.00 175.30 173.73 2c4o s ILE 73 N -1.27 0.02 -0.77 1.52 2.07 -1.26 -4.64 121.20 116.87 2c4o s ILE 73 Ca 0.61 -0.14 -0.17 0.00 -1.41 0.00 0.00 60.65 59.54 2c4o s ILE 73 Cb -0.40 -0.82 0.16 0.00 0.13 0.00 0.00 42.46 41.53 2c4o s ILE 73 CO 0.50 -0.08 0.84 -0.47 -1.91 0.00 0.00 174.94 173.82 2c4o s TYR 74 N -0.78 3.33 -0.00 3.50 5.04 -1.26 -4.97 117.35 122.21 2c4o s TYR 74 Ca -0.08 -1.48 -0.04 0.00 -2.44 0.00 0.00 57.07 53.02 2c4o s TYR 74 Cb -0.03 -4.01 -0.00 0.00 0.35 0.00 0.00 41.96 38.27 2c4o s TYR 74 CO 0.06 -1.22 0.07 -1.58 -1.34 0.00 0.00 175.55 171.53 2c4o s HIS 75 N 1.69 0.08 -0.41 4.97 2.46 -1.26 -4.80 115.29 118.02 2c4o s HIS 75 Ca 0.19 -0.16 0.26 0.00 0.47 0.00 0.00 55.06 55.82 2c4o s HIS 75 Cb -0.14 -0.07 0.74 0.00 -0.13 0.00 0.00 32.58 32.98 2c4o s HIS 75 CO -0.04 -0.20 1.74 -1.00 -2.47 0.00 0.00 174.74 172.78 2c4o h PRO 76 N 4.83 0.00 -0.35 2.88 0.13 -1.86 -3.23 132.00 134.41 2c4o h PRO 76 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2c4o h PRO 76 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2c4o h PRO 76 CO 0.42 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.28 2c4o n ASN 77 N -2.79 4.27 -3.44 1.44 3.02 -1.26 0.10 115.26 116.60 2c4o n ASN 77 Ca 0.03 -2.93 -0.14 0.00 -0.03 0.00 0.00 54.58 51.52 2c4o n ASN 77 Cb 0.42 -0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.93 2c4o n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c4o s ILE 78 N -2.68 -0.46 0.00 2.41 1.01 -1.22 -4.42 121.20 115.84 2c4o s ILE 78 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2c4o s ILE 78 Cb 0.35 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 42.09 2c4o s ILE 78 CO 0.11 -0.15 0.00 -0.46 0.00 0.00 0.00 174.94 174.45 2c4o n ASN 79 N 5.34 -0.06 0.17 3.58 2.04 -1.08 -4.39 115.26 120.87 2c4o n ASN 79 Ca -0.05 -0.35 0.03 0.00 -0.44 0.00 0.00 54.58 53.77 2c4o n ASN 79 Cb 0.50 0.00 0.30 0.00 -2.53 0.00 0.00 39.78 38.05 2c4o n ASN 79 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2c4o h SER 80 N -0.06 0.00 0.26 0.53 4.64 -1.94 -2.72 113.55 114.27 2c4o h SER 80 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c4o h SER 80 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2c4o h SER 80 CO 0.00 0.45 0.00 0.59 -0.87 0.00 0.00 176.83 177.00 2c4o n ASN 81 N -3.75 0.00 0.00 4.97 3.02 -1.26 -4.85 115.26 113.38 2c4o n ASN 81 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 2c4o n ASN 81 Cb 0.51 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 2c4o n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c4o n GLY 82 N 1.12 0.79 3.76 7.41 0.00 -1.02 -4.71 105.19 112.53 2c4o n GLY 82 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2c4o n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c4o s SER 83 N -2.64 6.42 0.00 1.61 0.01 -1.26 -0.70 113.70 117.14 2c4o s SER 83 Ca 0.00 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.20 2c4o s SER 83 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2c4o s SER 83 CO 0.00 -0.85 0.00 -0.38 0.41 0.00 0.00 173.24 172.42 2c4o n ILE 84 N 1.48 0.00 0.00 1.44 5.41 -1.26 -2.64 119.36 123.79 2c4o n ILE 84 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2c4o n ILE 84 Cb 0.39 -0.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.90 2c4o n ILE 84 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2c4o n LEU 86 N 0.00 0.00 -0.22 1.39 7.94 -1.26 -5.04 117.00 119.81 2c4o n LEU 86 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2c4o n LEU 86 Cb 0.00 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.09 2c4o n LEU 86 CO 0.00 0.00 0.95 -2.24 -1.11 0.00 0.00 177.39 174.99 2c4o h ASP 87 N 0.00 0.09 -0.12 1.96 3.04 -1.98 -1.24 116.42 118.17 2c4o h ASP 87 Ca 0.00 0.11 0.04 0.00 -3.24 0.00 0.00 57.03 53.94 2c4o h ASP 87 Cb 0.00 0.14 -0.00 0.00 -1.04 0.00 0.00 39.33 38.42 2c4o h ASP 87 CO 0.00 0.04 0.14 0.16 -2.04 0.00 0.00 179.24 177.54 2c4o h ILE 88 N 0.32 0.46 0.00 4.15 3.07 -1.94 0.13 117.51 123.70 2c4o h ILE 88 Ca 0.36 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.77 2c4o h ILE 88 Cb 0.54 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 2c4o h ILE 88 CO -0.41 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 176.87 2c4o n LEU 89 N -3.77 0.00 0.00 0.16 4.77 -0.47 -3.17 117.00 114.52 2c4o n LEU 89 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2c4o n LEU 89 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2c4o n LEU 89 CO 0.27 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.87 2c4o n ARG 90 N -0.82 0.00 -0.05 3.23 3.00 0.31 -4.83 116.66 117.50 2c4o n ARG 90 Ca 0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.89 2c4o n ARG 90 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.50 2c4o n ARG 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2c4o h SER 91 N 0.00 0.13 -0.32 0.55 0.02 -1.75 -2.56 113.55 109.62 2c4o h SER 91 Ca 0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 2c4o h SER 91 Cb 0.00 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2c4o h SER 91 CO 0.00 0.11 0.18 1.67 -1.14 0.00 0.00 176.83 177.65 2c4o n GLN 92 N -5.01 1.64 -3.05 3.45 -0.06 -0.30 -4.91 117.38 109.13 2c4o n GLN 92 Ca -0.02 -1.07 -0.35 0.00 -2.00 0.00 0.00 57.00 53.56 2c4o n GLN 92 Cb 0.07 -1.49 -0.06 0.00 -4.06 0.00 0.00 30.24 24.70 2c4o n GLN 92 CO 0.00 0.00 0.00 -0.46 -0.20 0.00 0.00 177.06 176.40 2c4o s TRP 93 N -1.26 3.53 -0.04 3.69 -0.11 -0.96 -4.38 118.94 119.41 2c4o s TRP 93 Ca 0.20 1.40 -0.06 0.00 1.22 0.00 0.00 56.10 58.85 2c4o s TRP 93 Cb 0.16 -2.65 0.01 0.00 -1.50 0.00 0.00 33.47 29.50 2c4o s TRP 93 CO 0.04 0.20 0.16 0.45 -4.62 0.00 0.00 176.95 173.18 2c4o s SER 94 N -1.90 -0.11 0.63 5.86 0.15 -1.26 -5.02 113.70 112.05 2c4o s SER 94 Ca 0.49 0.16 0.37 0.00 0.70 0.00 0.00 55.95 57.66 2c4o s SER 94 Cb -0.14 0.30 2.09 0.00 -1.71 0.00 0.00 66.02 66.56 2c4o s SER 94 CO 0.19 -0.17 2.29 -0.65 1.20 0.00 0.00 173.24 176.11 2c4o h PRO 95 N 5.33 0.00 0.00 5.44 0.11 -1.92 0.22 132.00 141.18 2c4o h PRO 95 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2c4o h PRO 95 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2c4o h PRO 95 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2c4o n ALA 96 N -2.19 2.54 -2.39 -0.75 0.00 -1.26 -4.83 120.51 111.63 2c4o n ALA 96 Ca -0.03 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.01 2c4o n ALA 96 Cb 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2c4o n ALA 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2c4o s LEU 97 N -1.92 3.71 0.11 0.00 1.02 0.07 -5.12 118.68 116.55 2c4o s LEU 97 Ca 0.39 0.53 0.03 0.00 0.02 0.00 0.00 54.13 55.10 2c4o s LEU 97 Cb 0.18 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.93 2c4o s LEU 97 CO 0.30 -0.59 -0.09 0.42 0.02 0.00 0.00 176.35 176.41 2c4o s THR 98 N -2.57 0.92 0.34 5.49 -4.23 -1.26 -5.01 115.64 109.32 2c4o s THR 98 Ca 0.46 -1.81 0.34 0.00 -1.18 0.00 0.00 61.69 59.50 2c4o s THR 98 Cb -0.10 -1.55 0.37 0.00 1.34 0.00 0.00 72.50 72.56 2c4o s THR 98 CO 0.40 -0.69 2.10 -0.29 -0.54 0.00 0.00 174.62 175.60 2c4o h ILE 99 N 3.22 0.18 0.02 2.99 2.10 -1.98 0.44 117.51 124.49 2c4o h ILE 99 Ca -0.36 -0.42 -0.00 0.00 1.08 0.00 0.00 64.86 65.15 2c4o h ILE 99 Cb 1.18 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2c4o h ILE 99 CO 0.59 0.05 -0.01 -1.28 -1.08 0.00 0.00 178.15 176.41 2c4o h SER 100 N 0.00 -0.02 0.46 2.19 0.87 -1.95 -1.25 113.55 113.85 2c4o h SER 100 Ca -0.00 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 2c4o h SER 100 Cb 0.35 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2c4o h SER 100 CO 0.01 0.28 -0.37 0.11 -0.53 0.00 0.00 176.83 176.32 2c4o h LYS 101 N -0.33 0.00 -0.63 2.24 1.57 -1.73 -2.41 116.57 115.27 2c4o h LYS 101 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2c4o h LYS 101 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2c4o h LYS 101 CO 0.00 0.37 0.08 0.28 -0.57 0.00 0.00 179.45 179.62 2c4o h VAL 102 N 0.00 1.26 -0.31 0.50 2.07 -0.66 -0.71 116.25 118.40 2c4o h VAL 102 Ca -0.00 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.32 2c4o h VAL 102 Cb 0.70 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2c4o h VAL 102 CO 0.05 0.39 -0.38 -0.07 0.02 0.00 0.00 177.57 177.58 2c4o h LEU 103 N 0.98 0.78 -0.62 2.57 4.07 -0.93 -2.10 115.31 120.05 2c4o h LEU 103 Ca 0.19 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 2c4o h LEU 103 Cb 0.46 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 2c4o h LEU 103 CO 0.02 1.07 0.34 -0.07 -1.08 0.00 0.00 178.44 178.71 2c4o h LEU 104 N 0.61 0.77 -0.95 1.67 -0.00 -1.15 0.65 115.31 116.90 2c4o h LEU 104 Ca 0.05 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.80 2c4o h LEU 104 Cb 0.92 -0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 2c4o h LEU 104 CO 0.08 0.64 0.28 0.28 -0.00 0.00 0.00 178.44 179.72 2c4o h SER 105 N 0.84 0.95 -0.07 -0.43 0.02 -0.95 -1.44 113.55 112.48 2c4o h SER 105 Ca 0.22 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2c4o h SER 105 Cb 0.04 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2c4o h SER 105 CO -0.04 0.85 -0.08 0.40 -1.14 0.00 0.00 176.83 176.82 2c4o h ILE 106 N 1.02 1.38 -0.92 3.27 2.04 -0.93 -1.18 117.51 122.18 2c4o h ILE 106 Ca 0.24 -1.28 0.18 0.00 1.00 0.00 0.00 64.86 65.00 2c4o h ILE 106 Cb 0.20 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 2c4o h ILE 106 CO -0.02 0.35 0.59 0.00 0.00 0.00 0.00 178.15 179.08 2c4o h SER 108 N 0.55 0.61 -0.89 0.00 0.02 -1.09 -2.82 113.55 109.93 2c4o h SER 108 Ca 0.48 -0.43 0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2c4o h SER 108 Cb 1.00 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 63.30 2c4o h SER 108 CO -0.22 0.90 0.57 0.25 -1.14 0.00 0.00 176.83 177.19 2c4o h LEU 109 N 0.32 0.65 -0.99 5.07 5.85 0.62 0.77 115.31 127.59 2c4o h LEU 109 Ca 0.06 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2c4o h LEU 109 Cb 0.69 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2c4o h LEU 109 CO 0.05 0.33 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.38 2c4o h LEU 110 N 0.68 0.67 0.00 2.25 -0.00 -0.98 -2.40 115.31 115.54 2c4o h LEU 110 Ca 0.44 -0.16 -0.14 0.00 -0.00 0.00 0.00 57.88 58.03 2c4o h LEU 110 Cb 0.72 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.18 2c4o h LEU 110 CO -0.20 0.76 -1.00 0.00 -0.00 0.00 0.00 178.44 177.99 2c4o s ASP 112 N -6.08 0.71 0.93 0.00 2.15 0.23 -5.10 116.67 109.51 2c4o s ASP 112 Ca 0.00 -2.26 -0.11 0.00 0.43 0.00 0.00 52.55 50.61 2c4o s ASP 112 Cb 0.08 0.44 0.15 0.00 -0.30 0.00 0.00 42.92 43.29 2c4o s ASP 112 CO 0.78 -0.17 1.09 -2.16 -0.17 0.00 0.00 175.17 174.54 2c4o s PRO 113 N 0.72 0.98 -0.68 4.34 0.04 -0.92 -4.50 135.00 134.98 2c4o s PRO 113 Ca 0.27 1.00 -0.00 0.00 0.04 0.00 0.00 61.00 62.30 2c4o s PRO 113 Cb -0.04 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.90 2c4o s PRO 113 CO -0.10 -2.48 0.49 1.21 0.04 0.00 0.00 177.00 176.16 2c4o s ASN 114 N -3.14 5.18 0.45 6.66 2.47 -1.26 -4.92 114.94 120.38 2c4o s ASN 114 Ca 0.65 -3.23 0.29 0.00 0.42 0.00 0.00 52.86 50.99 2c4o s ASN 114 Cb -0.20 -1.80 1.59 0.00 -1.45 0.00 0.00 41.25 39.39 2c4o s ASN 114 CO 0.58 -0.26 1.89 1.55 -3.72 0.00 0.00 177.10 177.14 2c4o h PRO 115 N 6.46 0.00 -0.01 0.43 0.13 -1.94 -0.95 132.00 136.12 2c4o h PRO 115 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2c4o h PRO 115 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2c4o h PRO 115 CO 0.74 0.00 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.11 2c4o n ASP 116 N -2.55 1.22 -3.17 1.44 5.75 -1.26 -3.98 116.55 114.00 2c4o n ASP 116 Ca -0.02 -1.40 -0.21 0.00 -0.01 0.00 0.00 54.79 53.15 2c4o n ASP 116 Cb 0.08 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 2c4o n ASP 116 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2c4o n ASP 117 N -0.05 1.37 -4.71 -1.12 9.92 -0.36 -5.11 116.55 116.49 2c4o n ASP 117 Ca 0.20 -3.06 -0.42 0.00 -0.53 0.00 0.00 54.79 50.98 2c4o n ASP 117 Cb 0.31 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 2c4o n ASP 117 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2c4o s PRO 118 N -2.29 4.45 0.08 -0.24 0.04 -1.25 -4.73 135.00 131.06 2c4o s PRO 118 Ca 0.40 1.69 0.23 0.00 0.04 0.00 0.00 61.00 63.35 2c4o s PRO 118 Cb 0.29 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 2c4o s PRO 118 CO -0.09 -0.23 0.91 -0.11 0.04 0.00 0.00 177.00 177.52 2c4o n LEU 119 N 4.03 0.55 -3.48 -3.56 7.94 0.28 -4.54 117.00 118.23 2c4o n LEU 119 Ca 0.08 0.09 -0.28 0.00 -1.11 0.00 0.00 56.01 54.79 2c4o n LEU 119 Cb 0.47 -0.06 -0.11 0.00 0.53 0.00 0.00 43.42 44.25 2c4o n LEU 119 CO 0.55 -0.03 -0.30 -0.69 -1.11 0.00 0.00 177.39 175.80 2c4o s VAL 120 N -3.32 0.45 0.16 1.96 1.01 -0.86 -4.74 120.40 115.05 2c4o s VAL 120 Ca -0.00 -2.25 -0.13 0.00 0.00 0.00 0.00 61.98 59.60 2c4o s VAL 120 Cb 0.13 -1.32 0.15 0.00 0.00 0.00 0.00 36.38 35.33 2c4o s VAL 120 CO 0.82 -1.08 1.09 -2.65 0.00 0.00 0.00 175.10 173.29 2c4o n PRO 121 N 3.46 -0.18 -0.31 2.72 -0.02 -1.26 -1.58 135.00 137.83 2c4o n PRO 121 Ca 0.19 1.08 -0.02 0.00 -2.02 0.00 0.00 63.50 62.73 2c4o n PRO 121 Cb 0.41 -1.60 0.10 0.00 -0.02 0.00 0.00 33.50 32.39 2c4o n PRO 121 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2c4o h GLU 122 N 0.00 1.06 -0.40 -0.52 4.57 -1.98 -1.49 114.58 115.82 2c4o h GLU 122 Ca 0.23 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 2c4o h GLU 122 Cb 0.41 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2c4o h GLU 122 CO -0.69 0.70 -0.16 0.82 -1.18 0.00 0.00 179.01 178.50 2c4o h ILE 123 N 1.09 1.26 -0.09 2.32 2.04 -1.66 -2.33 117.51 120.15 2c4o h ILE 123 Ca 0.33 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 2c4o h ILE 123 Cb -0.04 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2c4o h ILE 123 CO -0.10 0.41 -0.22 0.00 0.00 0.00 0.00 178.15 178.24 2c4o h ALA 124 N 1.16 1.48 0.34 1.87 0.00 -0.98 -2.55 119.26 120.58 2c4o h ALA 124 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2c4o h ALA 124 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2c4o h ALA 124 CO 0.04 0.37 -0.16 -0.09 0.00 0.00 0.00 179.25 179.42 2c4o h ARG 125 N 0.13 -0.44 -1.24 0.00 2.43 -0.87 -2.93 114.38 111.47 2c4o h ARG 125 Ca 0.02 0.03 0.36 0.00 -0.81 0.00 0.00 59.98 59.58 2c4o h ARG 125 Cb 0.47 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2c4o h ARG 125 CO 0.03 -0.29 0.87 0.82 -1.51 0.00 0.00 179.97 179.89 2c4o h ILE 126 N -1.03 0.37 -0.16 1.20 1.08 -1.45 0.50 117.51 118.02 2c4o h ILE 126 Ca -0.05 -0.03 -0.17 0.00 -0.39 0.00 0.00 64.86 64.23 2c4o h ILE 126 Cb 0.35 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2c4o h ILE 126 CO 0.08 0.01 -0.61 0.22 -0.69 0.00 0.00 178.15 177.16 2c4o h TYR 127 N 0.08 0.69 0.12 1.37 3.20 -1.48 0.18 116.97 121.13 2c4o h TYR 127 Ca 0.62 -0.26 -0.29 0.00 3.14 0.00 0.00 58.73 61.94 2c4o h TYR 127 Cb 2.28 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 40.42 2c4o h TYR 127 CO -0.00 1.01 -1.38 0.87 -1.64 0.00 0.00 178.16 177.02 2c4o h LYS 128 N 0.40 0.25 0.00 1.82 1.57 0.11 -3.32 116.57 117.40 2c4o h LYS 128 Ca -0.01 -0.43 -0.15 0.00 -1.87 0.00 0.00 60.65 58.20 2c4o h LYS 128 Cb 1.16 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 2c4o h LYS 128 CO 0.11 1.15 -2.11 0.25 -0.57 0.00 0.00 179.45 178.28 2c4o n THR 129 N -3.48 0.55 -3.06 -0.16 -2.24 -0.17 -4.76 114.28 100.96 2c4o n THR 129 Ca -0.12 -0.62 -0.19 0.00 -2.27 0.00 0.00 64.05 60.85 2c4o n THR 129 Cb 1.03 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 2c4o n THR 129 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2c4o n ASP 130 N -2.43 -0.73 -0.33 3.42 -0.08 0.61 -4.98 116.55 112.02 2c4o n ASP 130 Ca -0.15 -2.87 0.02 0.00 -1.51 0.00 0.00 54.79 50.28 2c4o n ASP 130 Cb 0.79 0.08 0.16 0.00 2.34 0.00 0.00 41.12 44.49 2c4o n ASP 130 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2c4o h ARG 131 N 4.02 1.02 -0.69 -0.67 2.43 -1.63 -1.65 114.38 117.21 2c4o h ARG 131 Ca 0.01 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 2c4o h ARG 131 Cb 0.92 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 2c4o h ARG 131 CO 0.42 0.67 0.39 1.05 -1.51 0.00 0.00 179.97 180.99 2c4o h GLU 132 N 1.05 0.69 -0.01 0.20 4.11 -1.92 -0.13 114.58 118.57 2c4o h GLU 132 Ca 0.40 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.63 2c4o h GLU 132 Cb 0.18 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2c4o h GLU 132 CO -0.18 0.46 -0.74 0.87 0.07 0.00 0.00 179.01 179.49 2c4o h LYS 133 N 0.71 0.05 -0.53 1.06 1.57 -1.81 -2.83 116.57 114.79 2c4o h LYS 133 Ca 0.31 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2c4o h LYS 133 Cb 0.19 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2c4o h LYS 133 CO -0.18 0.77 0.32 -0.92 -0.57 0.00 0.00 179.45 178.86 2c4o h TYR 134 N 0.03 0.60 -0.57 -1.35 5.03 -0.28 -1.15 116.97 119.29 2c4o h TYR 134 Ca -0.01 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.27 2c4o h TYR 134 Cb 1.30 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.37 2c4o h TYR 134 CO 0.01 0.34 0.17 -0.91 -1.32 0.00 0.00 178.16 176.44 2c4o h ASN 135 N 0.63 0.79 -0.09 -2.11 2.35 -0.95 -0.36 115.58 115.84 2c4o h ASN 135 Ca 0.22 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2c4o h ASN 135 Cb 0.03 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 2c4o h ASN 135 CO -0.10 0.76 0.04 0.03 -1.65 0.00 0.00 177.43 176.50 2c4o h ARG 136 N 0.83 0.13 -0.34 0.81 3.08 -1.08 -0.06 114.38 117.74 2c4o h ARG 136 Ca 0.19 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2c4o h ARG 136 Cb 0.26 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2c4o h ARG 136 CO -0.01 0.25 0.04 0.82 -1.07 0.00 0.00 179.97 180.00 2c4o h ILE 137 N -0.01 1.24 -0.84 2.04 2.04 -1.08 -0.16 117.51 120.75 2c4o h ILE 137 Ca 0.03 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.05 2c4o h ILE 137 Cb 0.16 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 2c4o h ILE 137 CO -0.00 0.29 0.55 0.00 0.00 0.00 0.00 178.15 178.99 2c4o h ALA 138 N 0.88 1.50 -0.30 1.87 0.00 -1.00 -0.79 119.26 121.42 2c4o h ALA 138 Ca 0.10 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2c4o h ALA 138 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2c4o h ALA 138 CO 0.01 0.41 -0.41 -0.09 0.00 0.00 0.00 179.25 179.17 2c4o h ARG 139 N 1.02 0.72 0.07 0.00 2.43 -0.67 -2.85 114.38 115.11 2c4o h ARG 139 Ca 0.34 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2c4o h ARG 139 Cb 0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2c4o h ARG 139 CO -0.10 0.99 -0.03 0.93 -1.51 0.00 0.00 179.97 180.25 2c4o h GLU 140 N 0.59 -0.09 -0.07 0.20 5.08 0.19 -2.82 114.58 117.67 2c4o h GLU 140 Ca 0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2c4o h GLU 140 Cb 0.95 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 2c4o h GLU 140 CO 0.09 0.14 0.05 -1.49 -1.00 0.00 0.00 179.01 176.80 2c4o h TRP 141 N -0.31 0.00 0.00 4.33 4.06 -1.23 -0.07 115.95 122.73 2c4o h TRP 141 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 2c4o h TRP 141 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2c4o h TRP 141 CO -0.00 0.00 -0.30 1.15 -3.56 0.00 0.00 178.44 175.73 2c4o h THR 142 N 0.00 1.17 0.15 1.49 2.02 -1.25 0.02 112.91 116.51 2c4o h THR 142 Ca 0.03 -1.03 -0.29 0.00 0.77 0.00 0.00 66.41 65.89 2c4o h THR 142 Cb 0.14 1.56 0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2c4o h THR 142 CO -0.00 0.29 -1.34 1.56 0.37 0.00 0.00 175.52 176.40 2c4o h GLN 143 N 0.00 0.31 0.00 6.66 1.08 -0.91 0.28 115.11 122.53 2c4o h GLN 143 Ca -0.00 -0.53 -0.11 0.00 -1.45 0.00 0.00 58.65 56.55 2c4o h GLN 143 Cb 0.54 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.15 2c4o h GLN 143 CO 0.04 1.24 -0.68 0.87 -0.95 0.00 0.00 178.83 179.34 2c4o h LYS 144 N 0.09 0.00 0.00 1.46 1.57 -1.18 -3.38 116.57 115.13 2c4o h LYS 144 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2c4o h LYS 144 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 2c4o h LYS 144 CO 0.21 0.45 -0.62 0.66 -0.57 0.00 0.00 179.45 179.58 2c4o n TYR 145 N -3.15 0.00 0.45 -1.35 4.01 -0.03 -4.89 117.16 112.20 2c4o n TYR 145 Ca -0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2c4o n TYR 145 Cb 0.75 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.66 2c4o n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4o n ALA 146 N -1.40 3.57 1.00 -0.72 0.00 -0.74 -4.76 120.51 117.47 2c4o n ALA 146 Ca 0.00 -0.48 0.12 0.00 0.00 0.00 0.00 53.44 53.08 2c4o n ALA 146 Cb 0.29 -0.65 0.10 0.00 0.00 0.00 0.00 19.45 19.20 2c4o n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17