#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 -1.09 0.12 5.14 0.00 -1.26 -4.72 105.19 103.38 2c4o n GLY -1 Ca 0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 2c4o n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4o n SER 0 N 2.26 1.51 -0.08 1.61 7.64 -1.26 -3.86 113.62 121.43 2c4o n SER 0 Ca 0.00 -0.03 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 2c4o n SER 0 Cb 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 2c4o n SER 0 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2c4o h MET 1 N 0.01 0.70 -0.13 1.43 1.85 -1.94 -2.46 114.93 114.39 2c4o h MET 1 Ca -0.54 -0.40 -0.14 0.00 -0.61 0.00 0.00 59.70 58.01 2c4o h MET 1 Cb 2.00 0.03 0.01 0.00 0.43 0.00 0.00 31.60 34.07 2c4o h MET 1 CO -0.03 1.01 -0.47 0.00 -0.40 0.00 0.00 176.91 177.02 2c4o h ALA 2 N 0.67 0.23 -0.99 0.39 0.00 -1.80 -1.60 119.26 116.16 2c4o h ALA 2 Ca 0.03 -0.49 0.07 0.00 0.00 0.00 0.00 54.91 54.52 2c4o h ALA 2 Cb 0.92 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 2c4o h ALA 2 CO 0.08 0.39 0.64 1.25 0.00 0.00 0.00 179.25 181.62 2c4o h LEU 3 N 0.17 1.02 -0.47 0.00 5.85 -1.67 0.34 115.31 120.56 2c4o h LEU 3 Ca -0.02 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 2c4o h LEU 3 Cb 1.11 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 2c4o h LEU 3 CO 0.10 0.65 -0.59 0.11 -0.34 0.00 0.00 178.44 178.37 2c4o h LYS 4 N 1.16 0.56 -0.30 1.25 6.56 -1.41 -2.96 116.57 121.43 2c4o h LYS 4 Ca 0.43 -0.37 -0.10 0.00 -1.06 0.00 0.00 60.65 59.54 2c4o h LYS 4 Cb 0.18 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.88 2c4o h LYS 4 CO -0.17 0.99 -0.25 -0.09 -2.06 0.00 0.00 179.45 177.87 2c4o h ARG 5 N 0.42 0.58 0.39 3.15 9.65 -0.13 -2.65 114.38 125.79 2c4o h ARG 5 Ca -0.00 -0.23 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 2c4o h ARG 5 Cb 1.14 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2c4o h ARG 5 CO 0.11 0.78 -0.19 0.82 2.80 0.00 0.00 179.97 184.30 2c4o h ILE 6 N 0.51 0.00 0.00 1.20 2.04 -0.27 -2.19 117.51 118.79 2c4o h ILE 6 Ca 0.07 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2c4o h ILE 6 Cb 0.70 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2c4o h ILE 6 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2c4o n HIS 7 N -3.67 0.00 -0.04 1.37 1.44 -1.13 -1.37 115.22 111.83 2c4o n HIS 7 Ca -0.06 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.43 2c4o n HIS 7 Cb 0.21 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.18 2c4o n HIS 7 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2c4o n LYS 8 N -0.51 0.71 0.10 -1.40 0.00 -1.00 -2.99 118.16 113.07 2c4o n LYS 8 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 58.31 58.55 2c4o n LYS 8 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 35.03 33.38 2c4o n LYS 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2c4o h GLU 9 N -0.12 0.04 -0.40 1.64 5.08 -0.58 -2.47 114.58 117.77 2c4o h GLU 9 Ca -0.45 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 2c4o h GLU 9 Cb 1.90 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.15 2c4o h GLU 9 CO 0.00 0.83 0.08 1.25 -1.00 0.00 0.00 179.01 180.17 2c4o h LEU 10 N 0.02 0.62 -0.53 1.33 6.46 -1.42 0.51 115.31 122.29 2c4o h LEU 10 Ca -0.01 -0.25 0.06 0.00 -0.12 0.00 0.00 57.88 57.56 2c4o h LEU 10 Cb 1.43 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.14 2c4o h LEU 10 CO 0.11 0.71 0.25 -1.13 -0.62 0.00 0.00 178.44 177.75 2c4o h ASN 11 N 0.50 0.32 0.08 1.25 -1.24 -1.43 0.14 115.58 115.21 2c4o h ASN 11 Ca 0.12 0.04 -0.18 0.00 0.71 0.00 0.00 56.30 56.99 2c4o h ASN 11 Cb 0.34 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 2c4o h ASN 11 CO 0.00 0.22 -0.66 0.44 -1.29 0.00 0.00 177.43 176.14 2c4o h ASP 12 N 0.47 0.63 -0.33 1.15 3.32 -1.09 -1.75 116.42 118.81 2c4o h ASP 12 Ca 0.25 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 2c4o h ASP 12 Cb 0.20 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2c4o h ASP 12 CO -0.20 1.12 -0.04 0.25 -1.72 0.00 0.00 179.24 178.65 2c4o h LEU 13 N 0.39 0.69 -0.01 1.55 7.12 0.59 -2.29 115.31 123.35 2c4o h LEU 13 Ca -0.02 -0.17 -0.26 0.00 0.13 0.00 0.00 57.88 57.56 2c4o h LEU 13 Cb 1.23 -0.18 0.02 0.00 -0.53 0.00 0.00 40.66 41.20 2c4o h LEU 13 CO 0.12 0.79 -1.06 0.00 -0.13 0.00 0.00 178.44 178.16 2c4o h ALA 14 N 1.29 0.15 0.00 1.25 0.00 -0.66 -2.60 119.26 118.69 2c4o h ALA 14 Ca 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2c4o h ALA 14 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2c4o h ALA 14 CO 0.02 0.71 0.00 0.54 0.00 0.00 0.00 179.25 180.53 2c4o n ARG 15 N -3.82 0.14 -3.04 0.00 1.74 -0.67 -3.68 116.66 107.33 2c4o n ARG 15 Ca -0.11 0.09 -0.16 0.00 -0.77 0.00 0.00 57.85 56.90 2c4o n ARG 15 Cb 0.89 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 2c4o n ARG 15 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2c4o n ASP 16 N -1.41 -0.41 -4.54 0.55 2.03 -0.87 -5.07 116.55 106.82 2c4o n ASP 16 Ca 0.08 -3.16 -0.15 0.00 0.52 0.00 0.00 54.79 52.08 2c4o n ASP 16 Cb 0.24 0.24 -0.11 0.00 -0.72 0.00 0.00 41.12 40.77 2c4o n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2c4o n PRO 17 N 0.61 0.42 -1.89 -0.67 -0.04 -0.98 -4.78 135.00 127.67 2c4o n PRO 17 Ca 0.18 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.53 2c4o n PRO 17 Cb 0.65 -3.11 -0.03 0.00 -0.04 0.00 0.00 33.50 30.97 2c4o n PRO 17 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2c4o s PRO 18 N 8.48 3.80 -0.02 0.54 0.04 -1.26 -4.85 135.00 141.74 2c4o s PRO 18 Ca 1.01 2.03 0.02 0.00 0.04 0.00 0.00 61.00 64.10 2c4o s PRO 18 Cb -0.28 -4.13 0.01 0.00 0.04 0.00 0.00 34.50 30.14 2c4o s PRO 18 CO 0.19 -1.31 -0.06 0.00 0.04 0.00 0.00 177.00 175.86 2c4o s ALA 19 N 5.48 0.58 0.00 8.56 0.00 -1.26 -4.13 121.76 130.98 2c4o s ALA 19 Ca 0.81 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2c4o s ALA 19 Cb -0.32 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2c4o s ALA 19 CO 0.33 0.08 0.00 1.04 0.00 0.00 0.00 175.76 177.21 2c4o n GLN 20 N 3.34 0.00 -4.28 0.00 1.13 -1.26 -5.10 117.38 111.21 2c4o n GLN 20 Ca -0.18 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.68 2c4o n GLN 20 Cb 0.55 0.00 -0.16 0.00 0.11 0.00 0.00 30.24 30.74 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 0.61 2.89 -0.28 0.00 0.15 -0.03 -4.82 113.70 112.22 2c4o s SER 22 Ca -0.09 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 55.75 2c4o s SER 22 Cb -0.12 -0.20 0.09 0.00 -1.71 0.00 0.00 66.02 64.08 2c4o s SER 22 CO 0.01 0.15 0.70 0.00 1.20 0.00 0.00 173.24 175.31 2c4o s ALA 23 N -0.99 -1.95 -0.17 5.45 0.00 -1.26 -0.91 121.76 121.94 2c4o s ALA 23 Ca 0.10 2.40 -0.35 0.00 0.00 0.00 0.00 51.96 54.11 2c4o s ALA 23 Cb -0.10 -1.52 0.14 0.00 0.00 0.00 0.00 23.12 21.65 2c4o s ALA 23 CO 0.04 -0.48 1.31 0.20 0.00 0.00 0.00 175.76 176.82 2c4o s GLY 24 N 1.86 -0.32 0.29 0.00 0.00 -0.57 -4.97 107.32 103.61 2c4o s GLY 24 Ca -0.09 1.41 -0.30 0.00 0.00 0.00 0.00 44.72 45.74 2c4o s GLY 24 CO -0.19 0.43 1.50 -1.55 0.00 0.00 0.00 173.10 173.28 2c4o n PRO 25 N -0.21 2.45 0.00 2.90 -0.04 -1.26 -0.37 135.00 138.48 2c4o n PRO 25 Ca -0.01 0.87 0.05 0.00 -0.04 0.00 0.00 63.50 64.37 2c4o n PRO 25 Cb 0.59 -2.59 0.25 0.00 -0.04 0.00 0.00 33.50 31.72 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 1.69 1.04 0.00 0.52 0.31 0.08 -4.79 118.33 117.18 2c4o n VAL 26 Ca 0.08 0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 2c4o n VAL 26 Cb 0.35 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 -0.34 -1.13 0.09 2.92 0.00 -1.26 -4.96 105.19 100.50 2c4o n GLY 27 Ca 0.04 0.69 0.04 0.00 0.00 0.00 0.00 46.02 46.78 2c4o n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2c4o n ASP 28 N 0.00 0.70 -4.64 1.61 -0.08 -1.26 -4.96 116.55 107.91 2c4o n ASP 28 Ca 0.00 -0.85 -0.40 0.00 -1.51 0.00 0.00 54.79 52.03 2c4o n ASP 28 Cb 0.00 0.76 -0.07 0.00 2.34 0.00 0.00 41.12 44.15 2c4o n ASP 28 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2c4o s ASP 29 N -1.49 6.57 0.30 1.67 2.15 -1.26 -4.94 116.67 119.67 2c4o s ASP 29 Ca 0.05 0.69 0.24 0.00 0.43 0.00 0.00 52.55 53.96 2c4o s ASP 29 Cb 0.06 -2.31 0.51 0.00 -0.30 0.00 0.00 42.92 40.88 2c4o s ASP 29 CO 0.27 -0.26 1.61 -0.03 -0.17 0.00 0.00 175.17 176.59 2c4o h MET 30 N 7.67 0.00 -0.01 4.34 1.85 -1.97 -3.17 114.93 123.63 2c4o h MET 30 Ca -0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 2c4o h MET 30 Cb 1.14 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.17 2c4o h MET 30 CO 0.75 0.00 -0.12 1.19 -0.40 0.00 0.00 176.91 178.33 2c4o n PHE 31 N -2.64 0.00 -3.95 1.39 3.01 -1.26 -4.67 117.46 109.34 2c4o n PHE 31 Ca 0.04 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 2c4o n PHE 31 Cb 0.48 -0.07 -0.15 0.00 -0.01 0.00 0.00 39.48 39.73 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 -2.26 2.74 0.44 1.38 2.46 -1.20 -1.71 115.29 117.15 2c4o s HIS 32 Ca 0.32 -2.12 0.07 0.00 0.47 0.00 0.00 55.06 53.80 2c4o s HIS 32 Cb 0.20 -1.95 -0.02 0.00 -0.13 0.00 0.00 32.58 30.68 2c4o s HIS 32 CO 0.43 -0.84 0.30 -1.58 -2.47 0.00 0.00 174.74 170.58 2c4o s TRP 33 N 1.27 2.42 -0.01 3.88 0.52 0.23 -0.74 118.94 126.51 2c4o s TRP 33 Ca -0.01 -0.61 -0.03 0.00 0.02 0.00 0.00 56.10 55.47 2c4o s TRP 33 Cb -0.19 -2.03 -0.00 0.00 -1.15 0.00 0.00 33.47 30.10 2c4o s TRP 33 CO -0.09 -0.08 0.06 -1.14 0.02 0.00 0.00 176.95 175.73 2c4o s GLN 34 N -4.07 0.22 0.03 4.98 0.74 0.50 -1.42 119.66 120.64 2c4o s GLN 34 Ca 0.42 -0.17 0.01 0.00 0.05 0.00 0.00 55.36 55.67 2c4o s GLN 34 Cb -0.00 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 2c4o s GLN 34 CO 0.24 -0.04 -0.06 0.00 -0.55 0.00 0.00 175.29 174.88 2c4o s ALA 35 N -0.61 0.40 -0.07 1.58 0.00 -0.27 -1.51 121.76 121.28 2c4o s ALA 35 Ca -0.07 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2c4o s ALA 35 Cb -0.04 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2c4o s ALA 35 CO 0.00 -0.03 -0.18 0.95 0.00 0.00 0.00 175.76 176.50 2c4o s THR 36 N -1.13 1.54 -0.20 0.00 -4.23 -0.09 0.17 115.64 111.71 2c4o s THR 36 Ca -0.09 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 2c4o s THR 36 Cb -0.08 -1.35 0.05 0.00 1.34 0.00 0.00 72.50 72.45 2c4o s THR 36 CO -0.00 0.44 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.82 2c4o s ILE 37 N 0.39 1.44 -0.37 2.99 1.09 0.26 -0.85 121.20 126.15 2c4o s ILE 37 Ca -0.13 -0.92 -0.27 0.00 -1.10 0.00 0.00 60.65 58.22 2c4o s ILE 37 Cb -0.16 -1.59 0.02 0.00 -1.06 0.00 0.00 42.46 39.67 2c4o s ILE 37 CO 0.05 0.10 1.01 -0.04 -0.10 0.00 0.00 174.94 175.96 2c4o s MET 38 N 1.48 3.89 0.27 2.79 -1.94 -1.06 -0.46 119.30 124.26 2c4o s MET 38 Ca -0.01 0.72 -0.26 0.00 -1.71 0.00 0.00 55.69 54.43 2c4o s MET 38 Cb -0.16 -3.80 -0.16 0.00 2.01 0.00 0.00 34.83 32.71 2c4o s MET 38 CO -0.08 -1.01 0.39 0.41 -0.01 0.00 0.00 175.02 174.72 2c4o n GLY 39 N 4.31 -2.04 3.33 -0.03 0.00 0.95 -4.84 105.19 106.86 2c4o n GLY 39 Ca 0.09 0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 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 1.10 0.10 -0.07 1.61 -0.02 -1.26 -4.35 135.00 132.10 2c4o n PRO 40 Ca 0.16 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.59 2c4o n PRO 40 Cb 0.30 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.63 0.35 -0.64 2.55 4.21 -1.94 -3.25 115.58 116.23 2c4o h ASN 41 Ca -0.44 -0.24 -0.19 0.00 1.21 0.00 0.00 56.30 56.63 2c4o h ASN 41 Cb 1.34 -0.09 -0.12 0.00 -1.12 0.00 0.00 38.32 38.34 2c4o h ASN 41 CO 0.37 0.50 0.21 -0.67 -1.29 0.00 0.00 177.43 176.55 2c4o n ASP 42 N -4.73 4.41 -4.67 5.81 2.03 -1.26 -4.74 116.55 113.40 2c4o n ASP 42 Ca -0.04 -3.28 -0.24 0.00 0.52 0.00 0.00 54.79 51.76 2c4o n ASP 42 Cb 0.18 -0.71 -0.08 0.00 -0.72 0.00 0.00 41.12 39.80 2c4o n ASP 42 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2c4o s SER 43 N -1.35 4.40 0.00 1.67 1.04 -1.23 -5.01 113.70 113.22 2c4o s SER 43 Ca 0.52 -0.88 0.04 0.00 0.48 0.00 0.00 55.95 56.12 2c4o s SER 43 Cb 0.43 -0.63 0.18 0.00 0.10 0.00 0.00 66.02 66.10 2c4o s SER 43 CO 0.11 -0.23 1.02 -0.81 0.98 0.00 0.00 173.24 174.31 2c4o n PRO 44 N -1.02 0.03 -0.43 4.02 -0.04 -1.26 -1.56 135.00 134.75 2c4o n PRO 44 Ca -0.04 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 2c4o n PRO 44 Cb 0.62 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.38 1.06 -1.55 0.54 4.01 -1.26 -3.50 117.16 115.08 2c4o n TYR 45 Ca 0.01 -0.45 -0.46 0.00 -0.16 0.00 0.00 57.90 56.84 2c4o n TYR 45 Cb 0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.04 1.06 -0.60 -0.72 10.64 -0.60 -1.83 117.38 126.37 2c4o n GLN 46 Ca 0.21 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.75 2c4o n GLN 46 Cb 0.65 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.32 2c4o n GLN 46 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2c4o n GLY 47 N 1.55 0.74 3.91 2.61 0.00 -1.26 -4.96 105.19 107.78 2c4o n GLY 47 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 2.14 -0.13 -0.02 0.00 -0.76 -4.70 107.32 101.85 2c4o s GLY 48 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.04 2c4o s GLY 48 CO 0.00 -0.64 -0.20 0.14 0.00 0.00 0.00 173.10 172.39 2c4o s VAL 49 N -1.65 2.24 -0.10 1.40 1.01 -0.59 -0.04 120.40 122.68 2c4o s VAL 49 Ca 0.39 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2c4o s VAL 49 Cb -0.12 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 2c4o s VAL 49 CO 0.26 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.34 2c4o s PHE 50 N 0.69 2.61 0.01 5.22 0.40 0.39 -4.68 117.98 122.63 2c4o s PHE 50 Ca -0.09 -0.88 -0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2c4o s PHE 50 Cb -0.16 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 2c4o s PHE 50 CO 0.01 -0.32 0.18 -0.06 0.70 0.00 0.00 175.22 175.72 2c4o s PHE 51 N 0.25 3.50 0.04 0.36 0.40 -1.26 0.91 117.98 122.19 2c4o s PHE 51 Ca -0.14 0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2c4o s PHE 51 Cb -0.17 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.54 2c4o s PHE 51 CO 0.07 0.62 -0.08 -0.51 0.70 0.00 0.00 175.22 176.02 2c4o s LEU 52 N -2.08 2.25 -0.15 -0.37 1.02 0.13 -0.70 118.68 118.79 2c4o s LEU 52 Ca 0.29 -0.55 -0.05 0.00 0.02 0.00 0.00 54.13 53.84 2c4o s LEU 52 Cb -0.13 -0.20 -0.03 0.00 0.02 0.00 0.00 46.19 45.85 2c4o s LEU 52 CO 0.21 -0.19 0.01 -0.89 0.02 0.00 0.00 176.35 175.51 2c4o s THR 53 N -1.35 4.34 -0.05 5.49 2.01 0.16 -1.12 115.64 125.12 2c4o s THR 53 Ca -0.09 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 61.77 2c4o s THR 53 Cb -0.10 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 2c4o s THR 53 CO 0.01 0.51 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.57 2c4o s ILE 54 N 0.04 2.01 -0.21 1.82 1.01 -0.51 -1.89 121.20 123.46 2c4o s ILE 54 Ca 0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 2c4o s ILE 54 Cb -0.13 -1.69 0.07 0.00 0.01 0.00 0.00 42.46 40.72 2c4o s ILE 54 CO 0.02 0.56 0.05 -1.00 0.00 0.00 0.00 174.94 174.57 2c4o s HIS 55 N -0.28 1.00 0.08 3.97 3.76 -0.62 -0.60 115.29 122.60 2c4o s HIS 55 Ca 0.00 -0.93 -0.30 0.00 -0.15 0.00 0.00 55.06 53.68 2c4o s HIS 55 Cb -0.13 -1.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 2c4o s HIS 55 CO 0.02 -0.65 0.99 -0.06 -0.85 0.00 0.00 174.74 174.19 2c4o s PHE 56 N 1.87 3.73 0.49 1.40 0.40 -0.69 -0.63 117.98 124.55 2c4o s PHE 56 Ca 0.01 1.73 -0.22 0.00 -0.60 0.00 0.00 56.93 57.85 2c4o s PHE 56 Cb -0.17 -3.11 -0.07 0.00 0.51 0.00 0.00 43.02 40.18 2c4o s PHE 56 CO -0.12 0.01 1.18 -1.25 0.70 0.00 0.00 175.22 175.74 2c4o s PRO 57 N 0.29 3.60 0.00 0.24 0.04 -1.26 -4.80 135.00 133.11 2c4o s PRO 57 Ca 0.49 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2c4o s PRO 57 Cb -0.24 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2c4o s PRO 57 CO 0.30 -0.69 0.42 2.41 0.04 0.00 0.00 177.00 179.48 2c4o n THR 58 N -0.70 0.00 -1.60 1.26 -1.04 -1.26 -0.81 114.28 110.13 2c4o n THR 58 Ca 0.08 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.15 2c4o n THR 58 Cb 0.48 -0.99 0.08 0.00 -1.82 0.00 0.00 70.33 68.09 2c4o n THR 58 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2c4o n ASP 59 N -0.92 1.28 -4.65 8.00 5.75 -1.26 -2.81 116.55 121.93 2c4o n ASP 59 Ca 0.00 -2.67 -0.36 0.00 -0.01 0.00 0.00 54.79 51.75 2c4o n ASP 59 Cb 0.00 -0.34 0.07 0.00 -1.03 0.00 0.00 41.12 39.82 2c4o n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2c4o n TYR 60 N -0.69 1.11 0.65 2.11 9.36 0.01 -2.07 117.16 127.64 2c4o n TYR 60 Ca 0.09 0.41 0.06 0.00 3.32 0.00 0.00 57.90 61.79 2c4o n TYR 60 Cb 0.71 -2.15 0.18 0.00 -0.63 0.00 0.00 39.34 37.45 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 -1.72 2.05 0.00 2.98 -0.04 -1.26 -3.75 135.00 133.25 2c4o n PRO 61 Ca 0.14 -1.47 0.08 0.00 -0.04 0.00 0.00 63.50 62.21 2c4o n PRO 61 Cb 0.49 -1.37 0.38 0.00 -0.04 0.00 0.00 33.50 32.96 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 -4.37 0.54 3.72 -0.88 -4.07 117.46 113.05 2c4o n PHE 62 Ca 0.14 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.35 2c4o n PHE 62 Cb 0.38 -0.40 -0.15 0.00 -0.94 0.00 0.00 39.48 38.37 2c4o n PHE 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2c4o s LYS 63 N -2.80 0.77 0.49 -1.08 -0.14 -1.25 -4.92 119.74 110.81 2c4o s LYS 63 Ca 0.12 -0.31 -0.22 0.00 -1.36 0.00 0.00 55.97 54.19 2c4o s LYS 63 Cb 0.11 -0.74 -0.07 0.00 -1.68 0.00 0.00 37.83 35.45 2c4o s LYS 63 CO 0.28 0.17 1.18 -1.25 -0.76 0.00 0.00 175.35 174.97 2c4o s PRO 64 N -0.12 3.61 0.59 -1.68 0.04 -1.26 -4.56 135.00 131.62 2c4o s PRO 64 Ca 0.02 1.79 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 2c4o s PRO 64 Cb -0.05 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2c4o s PRO 64 CO -0.00 -0.68 1.05 -1.25 0.04 0.00 0.00 177.00 176.16 2c4o s PRO 65 N -2.83 3.34 -0.55 0.56 0.04 -1.26 -4.54 135.00 129.75 2c4o s PRO 65 Ca 0.66 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 2c4o s PRO 65 Cb -0.29 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.28 2c4o s PRO 65 CO 0.34 -0.79 0.76 0.15 0.04 0.00 0.00 177.00 177.50 2c4o s LYS 66 N -4.10 3.17 -0.13 4.56 -0.14 0.20 -4.90 119.74 118.39 2c4o s LYS 66 Ca 0.63 -0.76 -0.02 0.00 -1.36 0.00 0.00 55.97 54.46 2c4o s LYS 66 Cb -0.16 -4.12 -0.03 0.00 -1.68 0.00 0.00 37.83 31.85 2c4o s LYS 66 CO 0.37 -1.41 -0.06 0.08 -0.76 0.00 0.00 175.35 173.58 2c4o s VAL 67 N 3.17 3.73 -0.02 3.17 1.01 -1.26 -1.59 120.40 128.62 2c4o s VAL 67 Ca 0.20 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2c4o s VAL 67 Cb -0.18 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2c4o s VAL 67 CO 0.13 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.91 2c4o s ALA 68 N 0.05 -0.38 0.06 5.51 0.00 -0.79 -4.44 121.76 121.77 2c4o s ALA 68 Ca -0.01 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 2c4o s ALA 68 Cb -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2c4o s ALA 68 CO 0.03 -0.18 0.92 -0.06 0.00 0.00 0.00 175.76 176.47 2c4o s PHE 69 N -0.99 3.74 -0.08 0.00 0.08 0.15 -0.67 117.98 120.21 2c4o s PHE 69 Ca -0.11 1.69 0.17 0.00 0.12 0.00 0.00 56.93 58.80 2c4o s PHE 69 Cb -0.06 -3.02 -0.26 0.00 -0.57 0.00 0.00 43.02 39.11 2c4o s PHE 69 CO 0.01 0.14 0.27 2.41 -0.10 0.00 0.00 175.22 177.96 2c4o n THR 70 N 3.19 0.43 -3.39 0.64 -1.04 0.12 -4.25 114.28 109.99 2c4o n THR 70 Ca 0.03 -0.53 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 2c4o n THR 70 Cb 0.50 -0.15 -0.06 0.00 -1.82 0.00 0.00 70.33 68.80 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 -2.95 5.11 0.41 12.58 2.01 -1.18 -4.95 115.64 126.65 2c4o s THR 71 Ca -0.07 0.91 -0.25 0.00 0.31 0.00 0.00 61.69 62.58 2c4o s THR 71 Cb 0.09 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.74 2c4o s THR 71 CO 0.74 0.43 1.23 -0.60 -0.69 0.00 0.00 174.62 175.73 2c4o s ARG 72 N -0.08 3.99 -0.02 4.92 3.52 -1.26 -4.88 118.95 125.14 2c4o s ARG 72 Ca 0.25 1.98 -0.22 0.00 -0.13 0.00 0.00 55.73 57.61 2c4o s ARG 72 Cb -0.16 -2.69 0.04 0.00 -1.56 0.00 0.00 34.95 30.58 2c4o s ARG 72 CO 0.11 -0.42 0.47 -1.50 -0.81 0.00 0.00 175.30 173.16 2c4o s ILE 73 N -1.35 0.03 -0.75 4.11 2.07 -1.26 -4.60 121.20 119.45 2c4o s ILE 73 Ca 0.57 -0.28 -0.17 0.00 -1.41 0.00 0.00 60.65 59.36 2c4o s ILE 73 Cb -0.34 -0.81 0.15 0.00 0.13 0.00 0.00 42.46 41.59 2c4o s ILE 73 CO 0.43 -0.15 0.81 -0.47 -1.91 0.00 0.00 174.94 173.65 2c4o s TYR 74 N -1.45 3.29 -0.00 3.50 6.14 -1.26 -4.97 117.35 122.60 2c4o s TYR 74 Ca -0.11 -1.43 -0.02 0.00 0.64 0.00 0.00 57.07 56.15 2c4o s TYR 74 Cb -0.03 -4.00 -0.00 0.00 0.42 0.00 0.00 41.96 38.35 2c4o s TYR 74 CO 0.05 -1.23 0.04 -1.58 0.64 0.00 0.00 175.55 173.48 2c4o s HIS 75 N 1.79 0.06 -0.25 4.97 2.46 -1.26 -4.82 115.29 118.24 2c4o s HIS 75 Ca 0.18 -0.11 0.28 0.00 0.47 0.00 0.00 55.06 55.88 2c4o s HIS 75 Cb -0.15 -0.06 0.91 0.00 -0.13 0.00 0.00 32.58 33.15 2c4o s HIS 75 CO -0.03 -0.12 1.80 -1.00 -2.47 0.00 0.00 174.74 172.92 2c4o h PRO 76 N 5.33 0.00 -0.32 2.88 0.13 -1.87 -3.17 132.00 134.98 2c4o h PRO 76 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 2c4o h PRO 76 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2c4o h PRO 76 CO 0.44 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.30 2c4o n ASN 77 N -2.89 3.37 -3.42 1.44 3.02 -1.26 0.67 115.26 116.19 2c4o n ASN 77 Ca 0.02 -3.31 -0.15 0.00 -0.03 0.00 0.00 54.58 51.12 2c4o n ASN 77 Cb 0.38 -0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.00 -0.44 0.00 2.41 1.01 -1.20 -1.14 121.20 118.84 2c4o s ILE 78 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2c4o s ILE 78 Cb 0.37 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2c4o s ILE 78 CO 0.06 -0.24 0.00 -0.46 0.00 0.00 0.00 174.94 174.29 2c4o n ASN 79 N 5.33 -0.19 0.17 3.58 2.04 -1.08 -4.37 115.26 120.74 2c4o n ASN 79 Ca -0.04 -0.49 0.02 0.00 -0.44 0.00 0.00 54.58 53.63 2c4o n ASN 79 Cb 0.49 0.00 0.30 0.00 -2.53 0.00 0.00 39.78 38.03 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 -0.19 0.00 0.36 0.53 4.64 -1.94 -2.63 113.55 114.32 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 0.46 0.00 0.59 -0.87 0.00 0.00 176.83 177.01 2c4o n ASN 81 N -3.91 0.00 0.00 4.97 3.02 -1.26 -4.85 115.26 113.23 2c4o n ASN 81 Ca -0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 2c4o n ASN 81 Cb 0.49 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.98 0.81 3.77 7.41 0.00 -0.99 -4.70 105.19 112.47 2c4o n GLY 82 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.75 6.34 -0.15 1.61 0.01 -1.26 -0.68 113.70 116.82 2c4o s SER 83 Ca 0.00 3.04 -0.04 0.00 1.31 0.00 0.00 55.95 60.26 2c4o s SER 83 Cb 0.00 -2.66 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2c4o s SER 83 CO 0.00 -0.89 -0.03 -0.63 0.41 0.00 0.00 173.24 172.10 2c4o s ILE 84 N -0.86 3.93 -1.05 1.44 1.01 -1.26 -2.64 121.20 121.77 2c4o s ILE 84 Ca 0.55 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2c4o s ILE 84 Cb -0.47 -2.72 0.23 0.00 0.01 0.00 0.00 42.46 39.51 2c4o s ILE 84 CO 0.60 0.50 1.10 0.00 0.00 0.00 0.00 174.94 177.13 2c4o s LEU 86 N 0.04 1.17 0.23 0.00 2.96 -1.26 -4.96 118.68 116.86 2c4o s LEU 86 Ca 0.30 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 2c4o s LEU 86 Cb -0.08 -0.79 0.40 0.00 0.50 0.00 0.00 46.19 46.22 2c4o s LEU 86 CO -0.07 -0.11 1.68 -2.24 -1.32 0.00 0.00 176.35 174.29 2c4o h ASP 87 N 8.06 -0.06 -0.14 3.68 2.03 -1.97 -1.17 116.42 126.84 2c4o h ASP 87 Ca -0.29 0.15 0.04 0.00 -0.73 0.00 0.00 57.03 56.20 2c4o h ASP 87 Cb 1.14 0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.84 2c4o h ASP 87 CO 0.40 -0.05 0.14 0.16 -1.03 0.00 0.00 179.24 178.86 2c4o h ILE 88 N 0.23 0.59 -0.03 4.15 3.07 -1.94 0.69 117.51 124.27 2c4o h ILE 88 Ca 0.38 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.79 2c4o h ILE 88 Cb 0.64 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2c4o h ILE 88 CO -0.51 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 176.77 2c4o n LEU 89 N -3.98 0.16 0.00 0.16 4.77 -0.44 -3.34 117.00 114.33 2c4o n LEU 89 Ca 0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2c4o n LEU 89 Cb 0.26 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2c4o n LEU 89 CO 0.29 0.04 0.00 0.54 -1.33 0.00 0.00 177.39 176.93 2c4o n ARG 90 N -0.49 0.00 0.11 3.23 1.74 -0.05 -4.82 116.66 116.38 2c4o n ARG 90 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2c4o n ARG 90 Cb 0.04 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.42 2c4o n ARG 90 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2c4o h SER 91 N 0.00 -0.31 -0.19 0.55 0.87 -1.68 -2.82 113.55 109.98 2c4o h SER 91 Ca 0.00 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2c4o h SER 91 Cb 0.00 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 2c4o h SER 91 CO 0.00 -0.18 0.09 0.00 -0.53 0.00 0.00 176.83 176.20 2c4o n GLN 92 N -5.24 1.53 -2.96 2.24 3.00 0.03 -4.92 117.38 111.07 2c4o n GLN 92 Ca -0.08 -0.69 -0.32 0.00 -0.01 0.00 0.00 57.00 55.90 2c4o n GLN 92 Cb 0.16 -1.43 -0.05 0.00 0.00 0.00 0.00 30.24 28.91 2c4o n GLN 92 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.06 176.60 2c4o s TRP 93 N -1.01 3.40 -0.02 1.08 -0.11 -1.06 -4.44 118.94 116.77 2c4o s TRP 93 Ca 0.13 1.24 -0.10 0.00 1.22 0.00 0.00 56.10 58.59 2c4o s TRP 93 Cb 0.10 -2.57 0.01 0.00 -1.50 0.00 0.00 33.47 29.51 2c4o s TRP 93 CO 0.03 -0.03 0.21 0.45 -4.62 0.00 0.00 176.95 172.99 2c4o s SER 94 N -2.57 -0.10 0.58 5.86 0.15 -1.26 -5.03 113.70 111.33 2c4o s SER 94 Ca 0.55 0.03 0.27 0.00 0.70 0.00 0.00 55.95 57.49 2c4o s SER 94 Cb -0.10 0.30 1.68 0.00 -1.71 0.00 0.00 66.02 66.19 2c4o s SER 94 CO 0.22 -0.33 2.20 -0.65 1.20 0.00 0.00 173.24 175.89 2c4o h PRO 95 N 4.51 0.00 0.00 5.44 0.11 -1.92 -0.56 132.00 139.58 2c4o h PRO 95 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2c4o h PRO 95 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c4o h PRO 95 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 2c4o n ALA 96 N -2.37 2.22 -2.32 -0.75 0.00 -1.26 -4.80 120.51 111.23 2c4o n ALA 96 Ca -0.02 -0.12 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 2c4o n ALA 96 Cb 0.14 -1.36 0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.34 3.62 0.11 0.00 1.02 -0.22 -5.11 118.68 115.76 2c4o s LEU 97 Ca 0.26 0.52 -0.01 0.00 0.02 0.00 0.00 54.13 54.93 2c4o s LEU 97 Cb 0.15 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.92 2c4o s LEU 97 CO 0.31 -0.69 0.02 0.42 0.02 0.00 0.00 176.35 176.43 2c4o s THR 98 N -2.64 0.20 0.50 5.49 -4.23 -1.26 -5.00 115.64 108.69 2c4o s THR 98 Ca 0.48 -1.89 0.19 0.00 -1.18 0.00 0.00 61.69 59.30 2c4o s THR 98 Cb -0.10 -1.88 0.26 0.00 1.34 0.00 0.00 72.50 72.12 2c4o s THR 98 CO 0.40 -0.64 2.11 0.40 -0.54 0.00 0.00 174.62 176.36 2c4o h ILE 99 N 2.94 0.90 -0.04 2.99 5.03 -1.98 0.23 117.51 127.58 2c4o h ILE 99 Ca -0.35 -0.25 -0.00 0.00 -0.12 0.00 0.00 64.86 64.14 2c4o h ILE 99 Cb 1.18 1.14 -0.00 0.00 -3.03 0.00 0.00 36.82 36.11 2c4o h ILE 99 CO 0.62 0.07 0.02 -1.28 -0.68 0.00 0.00 178.15 176.89 2c4o h SER 100 N 0.00 0.05 -0.72 1.72 0.87 -1.96 -0.45 113.55 113.06 2c4o h SER 100 Ca -0.00 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.38 2c4o h SER 100 Cb 0.14 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2c4o h SER 100 CO 0.01 0.19 0.36 0.50 -0.53 0.00 0.00 176.83 177.35 2c4o h LYS 101 N -0.09 1.05 -0.74 2.24 1.63 -1.68 -2.33 116.57 116.64 2c4o h LYS 101 Ca 0.01 -0.14 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 2c4o h LYS 101 Cb 0.15 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 2c4o h LYS 101 CO -0.00 0.81 0.30 0.28 -3.45 0.00 0.00 179.45 177.39 2c4o h VAL 102 N 1.05 1.25 -0.36 2.00 2.07 -0.61 -0.90 116.25 120.75 2c4o h VAL 102 Ca 0.26 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2c4o h VAL 102 Cb 0.10 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2c4o h VAL 102 CO -0.03 0.32 0.08 -0.07 0.02 0.00 0.00 177.57 177.88 2c4o h LEU 103 N 1.07 0.55 -0.92 2.57 3.38 -0.70 -1.84 115.31 119.41 2c4o h LEU 103 Ca 0.25 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2c4o h LEU 103 Cb 0.21 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2c4o h LEU 103 CO -0.02 0.65 0.25 -0.07 0.09 0.00 0.00 178.44 179.34 2c4o h LEU 104 N 0.42 0.96 -0.97 1.67 -0.00 -1.23 0.57 115.31 116.73 2c4o h LEU 104 Ca 0.11 -0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.79 2c4o h LEU 104 Cb 0.32 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 2c4o h LEU 104 CO 0.00 0.87 0.16 0.28 -0.00 0.00 0.00 178.44 179.76 2c4o h SER 105 N 1.01 0.85 -0.02 -0.43 0.02 -0.95 -1.33 113.55 112.71 2c4o h SER 105 Ca 0.23 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2c4o h SER 105 Cb 0.23 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2c4o h SER 105 CO -0.02 0.82 -0.06 0.40 -1.14 0.00 0.00 176.83 176.83 2c4o h ILE 106 N 0.88 1.49 -0.72 3.27 2.04 -0.87 -1.83 117.51 121.78 2c4o h ILE 106 Ca 0.19 -1.53 0.18 0.00 1.00 0.00 0.00 64.86 64.70 2c4o h ILE 106 Cb 0.29 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 2c4o h ILE 106 CO -0.00 0.41 0.50 0.00 0.00 0.00 0.00 178.15 179.05 2c4o h SER 108 N 0.20 0.74 -0.63 0.00 0.02 -1.17 -3.05 113.55 109.66 2c4o h SER 108 Ca 0.35 -0.58 0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2c4o h SER 108 Cb 1.09 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 2c4o h SER 108 CO -0.07 1.38 0.42 0.25 -1.14 0.00 0.00 176.83 177.67 2c4o h LEU 109 N 0.34 0.47 -1.05 5.07 5.85 0.41 0.67 115.31 127.07 2c4o h LEU 109 Ca -0.10 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2c4o h LEU 109 Cb 1.60 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2c4o h LEU 109 CO 0.18 0.30 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.10 2c4o h LEU 110 N 0.53 0.13 0.00 2.25 -0.00 -1.20 -2.30 115.31 114.74 2c4o h LEU 110 Ca 0.28 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2c4o h LEU 110 Cb 0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2c4o h LEU 110 CO -0.09 0.53 -1.17 0.00 -0.00 0.00 0.00 178.44 177.72 2c4o n ASP 112 N -2.51 -1.25 -4.75 0.00 8.00 0.21 -5.10 116.55 111.16 2c4o n ASP 112 Ca -0.00 -2.53 -0.31 0.00 0.71 0.00 0.00 54.79 52.66 2c4o n ASP 112 Cb 0.54 0.05 0.11 0.00 -0.02 0.00 0.00 41.12 41.80 2c4o n ASP 112 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2c4o s PRO 113 N 0.23 1.86 -0.85 -0.24 0.04 -0.88 -4.50 135.00 130.66 2c4o s PRO 113 Ca 0.32 1.07 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 2c4o s PRO 113 Cb 0.04 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 32.93 2c4o s PRO 113 CO -0.16 -1.89 0.74 -0.80 0.04 0.00 0.00 177.00 174.92 2c4o s ASN 114 N -3.37 6.05 0.00 6.66 0.01 -1.26 -4.90 114.94 118.13 2c4o s ASN 114 Ca 0.62 -3.39 0.01 0.00 -0.71 0.00 0.00 52.86 49.39 2c4o s ASN 114 Cb -0.18 -1.96 0.04 0.00 0.41 0.00 0.00 41.25 39.55 2c4o s ASN 114 CO 0.56 -0.28 0.96 -0.81 -1.51 0.00 0.00 177.10 176.02 2c4o n PRO 115 N 2.83 0.00 0.17 -0.60 -0.04 -1.26 -0.88 135.00 135.23 2c4o n PRO 115 Ca 0.18 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 2c4o n PRO 115 Cb 0.39 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.44 2c4o n PRO 115 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2c4o h ASP 116 N 0.00 0.00 -2.13 3.54 3.32 -1.93 -3.36 116.42 115.86 2c4o h ASP 116 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2c4o h ASP 116 Cb 0.01 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.15 2c4o h ASP 116 CO 0.00 0.15 -0.80 -0.67 -1.72 0.00 0.00 179.24 176.20 2c4o n ASP 117 N -3.05 2.51 -4.72 6.45 2.03 -0.06 -5.10 116.55 114.62 2c4o n ASP 117 Ca 0.02 -3.20 -0.42 0.00 0.52 0.00 0.00 54.79 51.71 2c4o n ASP 117 Cb 0.60 -0.65 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 2c4o n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2c4o s PRO 118 N -2.18 4.50 0.02 -0.67 0.04 -1.25 -4.74 135.00 130.73 2c4o s PRO 118 Ca 0.39 1.69 0.22 0.00 0.04 0.00 0.00 61.00 63.35 2c4o s PRO 118 Cb 0.18 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2c4o s PRO 118 CO -0.06 -0.13 0.95 -0.11 0.04 0.00 0.00 177.00 177.69 2c4o n LEU 119 N 3.52 0.63 -3.48 -3.56 7.94 0.21 -4.54 117.00 117.72 2c4o n LEU 119 Ca 0.07 -0.14 -0.29 0.00 -1.11 0.00 0.00 56.01 54.54 2c4o n LEU 119 Cb 0.47 -0.07 -0.12 0.00 0.53 0.00 0.00 43.42 44.23 2c4o n LEU 119 CO 0.54 0.10 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.92 2c4o s VAL 120 N -3.17 0.32 0.18 1.96 1.01 -0.94 -4.74 120.40 115.02 2c4o s VAL 120 Ca 0.04 -1.97 -0.19 0.00 0.00 0.00 0.00 61.98 59.85 2c4o s VAL 120 Cb 0.15 -1.24 0.11 0.00 0.00 0.00 0.00 36.38 35.40 2c4o s VAL 120 CO 0.83 -1.02 1.33 -2.65 0.00 0.00 0.00 175.10 173.59 2c4o n PRO 121 N 3.77 -0.26 -0.24 2.72 -0.02 -1.26 -1.92 135.00 137.78 2c4o n PRO 121 Ca 0.15 1.32 0.01 0.00 -2.02 0.00 0.00 63.50 62.96 2c4o n PRO 121 Cb 0.39 -1.95 0.24 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.00 -0.22 -0.52 4.57 -1.98 -1.93 114.58 115.50 2c4o h GLU 122 Ca 0.24 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2c4o h GLU 122 Cb 0.46 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2c4o h GLU 122 CO -0.84 0.66 -0.40 0.82 -1.18 0.00 0.00 179.01 178.07 2c4o h ILE 123 N 1.03 1.30 -0.04 2.32 2.04 -1.76 -2.56 117.51 119.83 2c4o h ILE 123 Ca 0.31 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 2c4o h ILE 123 Cb -0.04 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2c4o h ILE 123 CO -0.08 0.49 -0.28 0.00 0.00 0.00 0.00 178.15 178.28 2c4o h ALA 124 N 1.14 1.45 0.22 1.87 0.00 -1.08 -2.87 119.26 120.00 2c4o h ALA 124 Ca 0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2c4o h ALA 124 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2c4o h ALA 124 CO 0.08 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.62 2c4o h ARG 125 N 0.07 -0.28 0.00 0.00 3.08 -1.06 -3.00 114.38 113.18 2c4o h ARG 125 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2c4o h ARG 125 Cb 0.54 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2c4o h ARG 125 CO 0.04 -0.19 0.29 0.44 -1.07 0.00 0.00 179.97 179.47 2c4o n ILE 126 N -3.72 0.70 0.02 2.04 -6.64 -0.99 0.47 119.36 111.24 2c4o n ILE 126 Ca -0.04 0.71 -0.10 0.00 -1.77 0.00 0.00 62.75 61.56 2c4o n ILE 126 Cb 0.12 -1.71 -0.13 0.00 -1.44 0.00 0.00 39.64 36.47 2c4o n ILE 126 CO 0.00 0.00 0.00 0.22 -1.77 0.00 0.00 176.55 175.00 2c4o h TYR 127 N 0.00 0.08 0.00 4.28 5.03 -1.49 0.33 116.97 125.19 2c4o h TYR 127 Ca 0.00 -0.06 -0.24 0.00 2.58 0.00 0.00 58.73 61.01 2c4o h TYR 127 Cb 0.57 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.81 2c4o h TYR 127 CO 0.00 1.08 -1.45 0.87 -1.32 0.00 0.00 178.16 177.35 2c4o h LYS 128 N 0.01 0.00 0.00 1.82 1.57 0.17 -3.33 116.57 116.80 2c4o h LYS 128 Ca -0.20 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.32 2c4o h LYS 128 Cb 1.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.20 2c4o h LYS 128 CO 0.11 0.55 -2.17 0.25 -0.57 0.00 0.00 179.45 177.62 2c4o n THR 129 N -3.08 0.98 -3.16 -0.16 -2.24 0.04 -4.79 114.28 101.87 2c4o n THR 129 Ca -0.11 -0.70 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 2c4o n THR 129 Cb 0.97 -0.40 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.57 0.07 -0.04 3.42 -0.08 0.10 -5.00 116.55 112.46 2c4o n ASP 130 Ca -0.24 -2.78 -0.13 0.00 -1.51 0.00 0.00 54.79 50.13 2c4o n ASP 130 Cb 0.97 -0.47 -0.07 0.00 2.34 0.00 0.00 41.12 43.88 2c4o n ASP 130 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2c4o h ARG 131 N 3.84 -0.47 -0.50 -0.67 3.08 -1.66 -1.77 114.38 116.23 2c4o h ARG 131 Ca 0.06 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.19 2c4o h ARG 131 Cb 0.90 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.00 2c4o h ARG 131 CO 0.46 -0.31 -0.29 0.39 -1.07 0.00 0.00 179.97 179.14 2c4o n GLU 132 N -5.43 -0.22 0.19 0.04 1.02 -1.26 0.83 120.64 115.81 2c4o n GLU 132 Ca -0.04 0.79 0.06 0.00 -0.02 0.00 0.00 57.16 57.95 2c4o n GLU 132 Cb 0.37 -1.16 0.31 0.00 -0.02 0.00 0.00 31.44 30.94 2c4o n GLU 132 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2c4o h LYS 133 N 0.00 0.00 -0.70 3.49 1.57 -1.84 -2.78 116.57 116.32 2c4o h LYS 133 Ca 0.08 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 2c4o h LYS 133 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2c4o h LYS 133 CO -0.47 0.35 0.25 -0.92 -0.57 0.00 0.00 179.45 178.09 2c4o h TYR 134 N 0.00 1.09 -0.19 -1.35 5.03 0.13 -1.25 116.97 120.43 2c4o h TYR 134 Ca -0.00 -0.10 -0.08 0.00 2.58 0.00 0.00 58.73 61.13 2c4o h TYR 134 Cb 0.95 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 2c4o h TYR 134 CO 0.00 0.86 -0.24 -0.91 -1.32 0.00 0.00 178.16 176.55 2c4o h ASN 135 N 1.01 0.35 0.44 -2.11 2.35 -0.79 -0.30 115.58 116.53 2c4o h ASN 135 Ca 0.23 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2c4o h ASN 135 Cb 0.25 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2c4o h ASN 135 CO -0.01 0.60 -0.21 0.03 -1.65 0.00 0.00 177.43 176.18 2c4o h ARG 136 N 0.32 -0.57 -0.52 0.81 3.08 -1.06 -0.48 114.38 115.96 2c4o h ARG 136 Ca 0.05 0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2c4o h ARG 136 Cb 0.60 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2c4o h ARG 136 CO 0.04 -0.34 0.05 0.82 -1.07 0.00 0.00 179.97 179.47 2c4o h ILE 137 N -0.68 1.26 -0.85 2.04 2.04 -1.17 -0.57 117.51 119.58 2c4o h ILE 137 Ca -0.06 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.85 2c4o h ILE 137 Cb 0.50 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2c4o h ILE 137 CO 0.10 0.36 0.52 0.00 0.00 0.00 0.00 178.15 179.13 2c4o h ALA 138 N 0.96 1.16 -0.38 1.87 0.00 -1.01 -0.20 119.26 121.66 2c4o h ALA 138 Ca 0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2c4o h ALA 138 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2c4o h ALA 138 CO 0.02 0.27 -0.21 -0.09 0.00 0.00 0.00 179.25 179.24 2c4o h ARG 139 N 0.96 0.74 0.38 0.00 9.65 -0.74 -2.80 114.38 122.57 2c4o h ARG 139 Ca 0.37 -0.29 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2c4o h ARG 139 Cb 0.16 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 2c4o h ARG 139 CO -0.17 0.89 -0.18 0.93 2.80 0.00 0.00 179.97 184.24 2c4o h GLU 140 N 0.66 -0.49 -0.63 0.20 5.08 0.24 -2.90 114.58 116.74 2c4o h GLU 140 Ca 0.10 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 2c4o h GLU 140 Cb 0.70 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 2c4o h GLU 140 CO 0.05 -0.24 0.43 -1.49 -1.00 0.00 0.00 179.01 176.76 2c4o h TRP 141 N -0.66 0.34 0.00 4.33 4.06 -1.10 0.16 115.95 123.08 2c4o h TRP 141 Ca -0.05 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2c4o h TRP 141 Cb 0.48 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2c4o h TRP 141 CO -0.01 0.15 -0.16 1.15 -3.56 0.00 0.00 178.44 176.00 2c4o h THR 142 N 0.31 0.62 0.10 1.49 2.02 -1.29 0.36 112.91 116.51 2c4o h THR 142 Ca 0.30 -0.73 -0.29 0.00 0.77 0.00 0.00 66.41 66.46 2c4o h THR 142 Cb 0.76 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2c4o h THR 142 CO -0.07 0.16 -1.45 1.56 0.37 0.00 0.00 175.52 176.09 2c4o h GLN 143 N 0.00 0.22 0.00 6.66 4.20 -0.57 0.51 115.11 126.13 2c4o h GLN 143 Ca -0.00 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 2c4o h GLN 143 Cb 0.45 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 2c4o h GLN 143 CO 0.02 1.09 -0.63 0.87 -0.67 0.00 0.00 178.83 179.51 2c4o h LYS 144 N 0.06 0.00 0.00 1.46 6.56 -1.10 -3.38 116.57 120.17 2c4o h LYS 144 Ca -0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2c4o h LYS 144 Cb 1.99 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.65 2c4o h LYS 144 CO 0.16 0.03 -0.59 0.66 -2.06 0.00 0.00 179.45 177.66 2c4o n TYR 145 N -2.87 0.00 0.75 -1.35 4.01 0.09 -4.88 117.16 112.91 2c4o n TYR 145 Ca 0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.84 2c4o n TYR 145 Cb 0.56 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.48 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 -1.69 4.19 1.32 -0.72 0.00 -0.87 -4.79 120.51 117.95 2c4o n ALA 146 Ca 0.00 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.05 2c4o n ALA 146 Cb 0.29 -0.69 0.37 0.00 0.00 0.00 0.00 19.45 19.42 2c4o n ALA 146 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38