#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6m s VAL 4 N 0.00 3.75 -0.13 1.12 0.11 -1.26 -5.00 120.40 118.99 1x6m s VAL 4 Ca 0.00 1.20 -0.24 0.00 -2.93 0.00 0.00 61.98 60.02 1x6m s VAL 4 Cb 0.00 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1x6m s VAL 4 CO 0.00 0.05 0.73 -0.62 -3.33 0.00 0.00 175.10 171.93 1x6m s ASP 5 N 1.41 6.92 -0.00 3.54 2.15 -1.26 -4.91 116.67 124.52 1x6m s ASP 5 Ca 0.62 1.11 0.13 0.00 0.43 0.00 0.00 52.55 54.84 1x6m s ASP 5 Cb -0.32 -2.41 -0.15 0.00 -0.30 0.00 0.00 42.92 39.74 1x6m s ASP 5 CO 0.28 -0.25 0.54 0.41 -0.17 0.00 0.00 175.17 175.98 1x6m n THR 6 N 4.30 0.00 -1.53 1.71 -1.04 -1.26 -4.79 114.28 111.68 1x6m n THR 6 Ca 0.01 -0.20 -0.58 0.00 -2.04 0.00 0.00 64.05 61.24 1x6m n THR 6 Cb 0.50 0.95 -0.08 0.00 -1.82 0.00 0.00 70.33 69.89 1x6m n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1x6m n SER 7 N -1.35 0.37 -0.73 8.00 7.64 -1.26 -1.70 113.62 124.58 1x6m n SER 7 Ca 0.02 1.15 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 1x6m n SER 7 Cb 0.21 -0.97 -0.04 0.00 -1.01 0.00 0.00 64.21 62.40 1x6m n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6m n GLY 8 N 1.79 1.02 3.64 0.23 0.00 -1.26 -4.97 105.19 105.64 1x6m n GLY 8 Ca 0.20 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1x6m n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 9 N -2.06 4.75 -0.17 1.61 1.01 -0.69 -5.05 120.40 119.80 1x6m s VAL 9 Ca 0.00 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1x6m s VAL 9 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1x6m s VAL 9 CO 0.00 -0.17 0.02 -0.54 0.00 0.00 0.00 175.10 174.41 1x6m s LYS 10 N 3.06 3.85 -0.08 2.72 -0.14 -1.26 -5.02 119.74 122.87 1x6m s LYS 10 Ca 0.39 -0.41 -0.10 0.00 -1.36 0.00 0.00 55.97 54.48 1x6m s LYS 10 Cb -0.15 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 1x6m s LYS 10 CO 0.08 0.27 -0.20 -0.89 -0.76 0.00 0.00 175.35 173.85 1x6m n ILE 11 N 3.50 1.12 -3.60 2.17 2.08 -1.26 -4.61 119.36 118.76 1x6m n ILE 11 Ca -0.17 0.25 -0.16 0.00 0.56 0.00 0.00 62.75 63.23 1x6m n ILE 11 Cb 0.52 -1.98 -0.07 0.00 -0.75 0.00 0.00 39.64 37.37 1x6m n ILE 11 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1x6m s HIS 12 N -2.30 -0.60 0.51 1.39 2.46 -1.26 -1.93 115.29 113.55 1x6m s HIS 12 Ca -0.17 1.18 0.28 0.00 0.47 0.00 0.00 55.06 56.83 1x6m s HIS 12 Cb 0.02 0.31 1.63 0.00 -0.13 0.00 0.00 32.58 34.42 1x6m s HIS 12 CO 0.25 -0.50 2.17 -1.35 -2.47 0.00 0.00 174.74 172.84 1x6m h PRO 13 N 3.76 0.00 0.00 2.88 0.11 -1.97 -1.25 132.00 135.53 1x6m h PRO 13 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1x6m h PRO 13 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1x6m h PRO 13 CO 0.30 0.06 -0.33 0.00 -0.21 0.00 0.00 178.00 177.82 1x6m h ALA 14 N 1.94 1.35 -0.00 -0.75 0.00 -1.97 -3.34 119.26 116.49 1x6m h ALA 14 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1x6m h ALA 14 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1x6m h ALA 14 CO 0.01 0.41 -0.19 1.33 0.00 0.00 0.00 179.25 180.81 1x6m n VAL 15 N -3.99 0.00 -0.37 0.00 0.24 -0.93 -4.61 118.33 108.67 1x6m n VAL 15 Ca -0.02 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.34 61.86 1x6m n VAL 15 Cb 0.39 1.05 0.11 0.00 -1.47 0.00 0.00 33.84 33.92 1x6m n VAL 15 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1x6m h ASP 16 N 0.50 1.15 -1.47 -1.34 3.32 -1.36 0.28 116.42 117.50 1x6m h ASP 16 Ca 0.00 -0.04 -0.67 0.00 0.02 0.00 0.00 57.03 56.35 1x6m h ASP 16 Cb 0.20 -0.29 -0.25 0.00 0.22 0.00 0.00 39.33 39.22 1x6m h ASP 16 CO 0.00 0.84 0.86 0.59 -1.72 0.00 0.00 179.24 179.81 1x6m n ASN 17 N -4.38 7.33 -0.21 6.45 3.02 -1.26 -5.03 115.26 121.18 1x6m n ASN 17 Ca 0.12 -3.67 0.03 0.00 -0.03 0.00 0.00 54.58 51.03 1x6m n ASN 17 Cb 0.02 -1.07 -0.01 0.00 -0.61 0.00 0.00 39.78 38.11 1x6m n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x6m n GLY 18 N -0.34 -2.17 3.57 7.41 0.00 0.09 -4.96 105.19 108.78 1x6m n GLY 18 Ca 0.54 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1x6m n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x6m s ILE 19 N -1.02 4.79 -0.01 -0.61 -1.09 -1.26 -4.21 121.20 117.79 1x6m s ILE 19 Ca 0.00 -0.02 -0.28 0.00 -2.23 0.00 0.00 60.65 58.12 1x6m s ILE 19 Cb 0.00 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1x6m s ILE 19 CO 0.00 0.38 0.88 -0.54 -1.23 0.00 0.00 174.94 174.43 1x6m s LYS 20 N 1.03 4.52 0.49 2.79 1.02 -1.26 -5.03 119.74 123.29 1x6m s LYS 20 Ca 0.05 1.23 -0.20 0.00 0.02 0.00 0.00 55.97 57.08 1x6m s LYS 20 Cb -0.14 -3.45 -0.08 0.00 -0.52 0.00 0.00 37.83 33.64 1x6m s LYS 20 CO 0.03 0.01 1.02 -1.25 -0.92 0.00 0.00 175.35 174.24 1x6m s PRO 21 N 0.85 3.86 0.81 -1.68 0.04 -1.26 -4.47 135.00 133.15 1x6m s PRO 21 Ca 0.47 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 1x6m s PRO 21 Cb -0.20 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.31 1x6m s PRO 21 CO 0.25 -0.37 1.19 0.00 0.04 0.00 0.00 177.00 178.12 1x6m s ALA 22 N -2.13 1.84 -0.21 8.56 0.00 -1.24 -4.30 121.76 124.27 1x6m s ALA 22 Ca 0.65 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.27 1x6m s ALA 22 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1x6m s ALA 22 CO 0.21 -2.29 0.30 -1.14 0.00 0.00 0.00 175.76 172.84 1x6m s GLN 23 N -4.20 4.14 0.26 0.00 0.74 -0.96 -4.91 119.66 114.74 1x6m s GLN 23 Ca 0.72 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.85 1x6m s GLN 23 Cb -0.28 -3.53 -0.11 0.00 1.10 0.00 0.00 33.01 30.20 1x6m s GLN 23 CO 0.51 0.02 1.55 -2.14 -0.55 0.00 0.00 175.29 174.68 1x6m s PRO 24 N 1.14 4.18 0.00 1.67 0.02 -1.26 -2.15 135.00 138.60 1x6m s PRO 24 Ca 0.15 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1x6m s PRO 24 Cb -0.14 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1x6m s PRO 24 CO 0.06 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 1x6m n GLY 25 N 2.45 1.08 3.71 0.52 0.00 -1.26 -5.01 105.19 106.67 1x6m n GLY 25 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1x6m n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1x6m s PHE 26 N -2.81 2.60 -1.01 1.61 5.36 -0.91 -4.86 117.98 117.95 1x6m s PHE 26 Ca 0.00 0.19 0.11 0.00 -0.96 0.00 0.00 56.93 56.28 1x6m s PHE 26 Cb 0.00 -4.16 0.31 0.00 -0.34 0.00 0.00 43.02 38.84 1x6m s PHE 26 CO 0.00 -4.54 1.25 0.00 -1.46 0.00 0.00 175.22 170.47 1x6m n ALA 27 N 4.68 2.20 0.00 11.12 0.00 -1.26 -4.19 120.51 133.05 1x6m n ALA 27 Ca 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1x6m n ALA 27 Cb 0.36 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1x6m n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6m n GLY 28 N 0.58 -0.33 0.00 0.00 0.00 -1.26 -3.28 105.19 100.90 1x6m n GLY 28 Ca 0.12 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1x6m n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x6m n GLY 29 N 0.00 -0.59 2.85 -0.02 0.00 0.19 -4.97 105.19 102.65 1x6m n GLY 29 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1x6m n GLY 29 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x6m s THR 30 N -3.27 0.55 -0.00 2.61 -1.32 -1.26 -1.75 115.64 111.20 1x6m s THR 30 Ca 0.00 -0.06 -0.24 0.00 -1.21 0.00 0.00 61.69 60.18 1x6m s THR 30 Cb 0.00 -0.62 -0.05 0.00 -1.51 0.00 0.00 72.50 70.32 1x6m s THR 30 CO 0.00 0.26 0.74 -0.76 -2.21 0.00 0.00 174.62 172.64 1x6m s LEU 31 N 1.39 4.39 0.03 9.08 1.02 0.04 -4.30 118.68 130.32 1x6m s LEU 31 Ca -0.03 1.33 0.06 0.00 0.02 0.00 0.00 54.13 55.51 1x6m s LEU 31 Cb -0.13 -3.16 -0.02 0.00 0.02 0.00 0.00 46.19 42.89 1x6m s LEU 31 CO -0.03 -0.04 -0.16 -1.38 0.02 0.00 0.00 176.35 174.76 1x6m s HIS 32 N 0.30 1.42 1.38 0.29 -3.43 -0.90 0.49 115.29 114.85 1x6m s HIS 32 Ca 0.38 -0.34 -0.22 0.00 -0.80 0.00 0.00 55.06 54.08 1x6m s HIS 32 Cb -0.19 -0.86 0.35 0.00 -1.43 0.00 0.00 32.58 30.45 1x6m s HIS 32 CO 0.21 0.04 0.79 0.00 -2.00 0.00 0.00 174.74 173.78 1x6m n LYS 34 N -5.15 1.73 -1.72 0.00 5.02 -1.26 -4.83 118.16 111.94 1x6m n LYS 34 Ca 0.13 -1.29 -0.43 0.00 -2.02 0.00 0.00 58.31 54.70 1x6m n LYS 34 Cb 0.55 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 1x6m n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6m h SER 36 N 4.42 0.00 -3.76 0.00 0.02 -2.02 -3.40 113.55 108.81 1x6m h SER 36 Ca -0.46 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.10 1x6m h SER 36 Cb 1.24 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.48 1x6m h SER 36 CO 0.77 0.54 -0.77 0.28 -1.14 0.00 0.00 176.83 176.50 1x6m s THR 37 N -3.36 0.56 -0.86 -2.27 -1.32 -1.26 -4.89 115.64 102.24 1x6m s THR 37 Ca 0.01 -0.23 -0.04 0.00 -1.21 0.00 0.00 61.69 60.21 1x6m s THR 37 Cb 0.10 -0.52 -0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1x6m s THR 37 CO 0.73 0.19 0.68 0.59 -2.21 0.00 0.00 174.62 174.60 1x6m n ASN 38 N 3.37 -6.02 -4.81 8.08 5.03 -1.26 -4.96 115.26 114.68 1x6m n ASN 38 Ca -0.18 -0.65 -0.32 0.00 0.87 0.00 0.00 54.58 54.29 1x6m n ASN 38 Cb 0.55 -3.33 0.01 0.00 -1.02 0.00 0.00 39.78 35.99 1x6m n ASN 38 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1x6m s PRO 39 N -4.45 3.31 0.12 3.52 0.02 -1.26 -4.91 135.00 131.35 1x6m s PRO 39 Ca 0.09 1.15 -0.31 0.00 0.02 0.00 0.00 61.00 61.95 1x6m s PRO 39 Cb -0.03 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 1x6m s PRO 39 CO 0.84 -0.81 1.69 0.08 -0.33 0.00 0.00 177.00 178.46 1x6m s VAL 40 N -2.56 2.70 -0.17 3.83 1.01 -1.26 -4.49 120.40 119.47 1x6m s VAL 40 Ca 0.62 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1x6m s VAL 40 Cb -0.15 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.04 1x6m s VAL 40 CO 0.39 0.01 -0.19 -0.13 0.00 0.00 0.00 175.10 175.18 1x6m s ARG 41 N 2.19 3.06 -0.17 2.72 0.52 -0.07 -1.77 118.95 125.43 1x6m s ARG 41 Ca 0.75 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 55.14 1x6m s ARG 41 Cb -0.43 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 1x6m s ARG 41 CO 0.33 -0.12 -0.11 0.08 0.02 0.00 0.00 175.30 175.50 1x6m s VAL 42 N 1.09 2.97 -0.00 3.52 1.01 0.18 0.74 120.40 129.90 1x6m s VAL 42 Ca -0.00 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1x6m s VAL 42 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1x6m s VAL 42 CO -0.07 0.49 0.61 0.00 0.00 0.00 0.00 175.10 176.13 1x6m s ALA 43 N 0.90 3.47 -0.27 5.51 0.00 0.12 -0.78 121.76 130.72 1x6m s ALA 43 Ca -0.03 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1x6m s ALA 43 Cb -0.15 -2.77 0.07 0.00 0.00 0.00 0.00 23.12 20.28 1x6m s ALA 43 CO -0.00 0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.96 1x6m s VAL 44 N -0.17 1.70 -0.47 0.00 1.01 -0.72 -1.70 120.40 120.05 1x6m s VAL 44 Ca 0.32 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1x6m s VAL 44 Cb -0.18 -2.02 0.47 0.00 0.00 0.00 0.00 36.38 34.64 1x6m s VAL 44 CO 0.18 -0.24 1.63 0.54 0.00 0.00 0.00 175.10 177.20 1x6m n ARG 45 N 4.57 2.98 -3.77 2.72 1.74 0.32 -0.64 116.66 124.59 1x6m n ARG 45 Ca -0.08 -3.64 -0.10 0.00 -0.77 0.00 0.00 57.85 53.26 1x6m n ARG 45 Cb 0.43 -2.24 -0.05 0.00 -1.02 0.00 0.00 32.46 29.58 1x6m n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x6m s ALA 46 N -3.67 -0.63 0.56 7.54 0.00 -1.21 -4.80 121.76 119.56 1x6m s ALA 46 Ca 0.57 -0.36 -0.20 0.00 0.00 0.00 0.00 51.96 51.97 1x6m s ALA 46 Cb 0.46 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 24.29 1x6m s ALA 46 CO 0.02 -0.68 1.21 -1.14 0.00 0.00 0.00 175.76 175.17 1x6m s GLN 47 N -3.87 3.16 0.74 0.00 2.00 -1.26 -4.08 119.66 116.36 1x6m s GLN 47 Ca 0.08 1.85 -0.06 0.00 -2.00 0.00 0.00 55.36 55.23 1x6m s GLN 47 Cb 0.02 -2.06 0.10 0.00 0.80 0.00 0.00 33.01 31.87 1x6m s GLN 47 CO -0.06 -1.06 1.05 0.95 -0.50 0.00 0.00 175.29 175.67 1x6m s THR 48 N -1.56 2.22 0.10 -0.34 -4.23 -1.26 -4.83 115.64 105.73 1x6m s THR 48 Ca 0.74 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.89 1x6m s THR 48 Cb -0.31 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 1x6m s THR 48 CO 0.35 0.00 0.08 0.00 -0.54 0.00 0.00 174.62 174.51 1x6m s ALA 49 N -3.31 0.40 -1.52 3.99 0.00 0.03 -4.60 121.76 116.75 1x6m s ALA 49 Ca 0.64 -1.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1x6m s ALA 49 Cb -0.08 0.56 0.08 0.00 0.00 0.00 0.00 23.12 23.68 1x6m s ALA 49 CO 0.46 -0.47 0.89 0.72 0.00 0.00 0.00 175.76 177.36 1x6m n HIS 50 N -0.02 -2.15 -2.25 0.00 8.25 -1.26 -1.67 115.22 116.12 1x6m n HIS 50 Ca -0.11 0.88 -0.41 0.00 -0.26 0.00 0.00 57.72 57.82 1x6m n HIS 50 Cb 0.62 -3.90 -0.03 0.00 1.12 0.00 0.00 29.99 27.80 1x6m n HIS 50 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1x6m s ASN 51 N -3.51 6.94 0.26 0.41 2.47 -1.26 -4.53 114.94 115.72 1x6m s ASN 51 Ca 0.55 2.41 -0.17 0.00 0.42 0.00 0.00 52.86 56.07 1x6m s ASN 51 Cb -0.28 -2.62 0.01 0.00 -1.45 0.00 0.00 41.25 36.91 1x6m s ASN 51 CO 0.84 -0.47 0.58 -1.38 -3.72 0.00 0.00 177.10 172.95 1x6m s HIS 52 N -0.20 0.08 -0.04 0.43 -3.43 -0.42 0.17 115.29 111.88 1x6m s HIS 52 Ca 0.54 -0.48 -0.13 0.00 -0.80 0.00 0.00 55.06 54.18 1x6m s HIS 52 Cb -0.36 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1x6m s HIS 52 CO 0.40 -1.09 0.36 0.14 -2.00 0.00 0.00 174.74 172.55 1x6m s VAL 53 N -3.96 5.14 -0.09 -5.38 -7.23 -0.74 -1.16 120.40 106.98 1x6m s VAL 53 Ca 0.16 0.72 0.02 0.00 -1.81 0.00 0.00 61.98 61.07 1x6m s VAL 53 Cb -0.03 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.27 1x6m s VAL 53 CO 0.07 0.56 -0.15 0.00 -0.31 0.00 0.00 175.10 175.27 1x6m n GLY 55 N 3.94 0.42 3.74 0.00 0.00 0.28 -0.11 105.19 113.47 1x6m n GLY 55 Ca -0.21 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 1x6m n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h THR 57 N -0.99 1.09 -0.05 0.00 1.35 -1.93 -3.34 112.91 109.04 1x6m h THR 57 Ca -0.44 -2.57 -0.05 0.00 -0.55 0.00 0.00 66.41 62.79 1x6m h THR 57 Cb 1.25 2.52 -0.01 0.00 -1.73 0.00 0.00 68.15 70.18 1x6m h THR 57 CO 0.49 0.62 -0.23 0.11 -0.25 0.00 0.00 175.52 176.27 1x6m h LYS 58 N 0.00 0.08 -6.63 4.72 1.79 -1.99 -3.46 116.57 111.08 1x6m h LYS 58 Ca -0.02 -0.02 -0.50 0.00 -2.18 0.00 0.00 60.65 57.93 1x6m h LYS 58 Cb 1.53 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1x6m h LYS 58 CO 0.08 0.30 -0.07 0.00 -1.08 0.00 0.00 179.45 178.68 1x6m s TRP 60 N -2.32 1.83 -0.01 0.00 -0.00 -1.26 -4.93 118.94 112.24 1x6m s TRP 60 Ca 0.44 -0.03 0.05 0.00 -0.00 0.00 0.00 56.10 56.57 1x6m s TRP 60 Cb -0.10 -4.06 -0.03 0.00 -0.00 0.00 0.00 33.47 29.28 1x6m s TRP 60 CO 0.35 -4.52 -0.16 0.15 -0.00 0.00 0.00 176.95 172.77 1x6m s LYS 61 N 3.84 2.33 0.69 5.86 1.02 -1.26 -4.60 119.74 127.62 1x6m s LYS 61 Ca 0.79 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.82 1x6m s LYS 61 Cb -0.39 -2.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 1x6m s LYS 61 CO 0.35 0.59 1.15 -1.25 -0.92 0.00 0.00 175.35 175.27 1x6m s PRO 62 N -1.01 2.48 0.11 -1.68 0.04 -1.26 -4.88 135.00 128.80 1x6m s PRO 62 Ca 0.13 1.56 -0.34 0.00 0.04 0.00 0.00 61.00 62.39 1x6m s PRO 62 Cb -0.11 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.40 1x6m s PRO 62 CO 0.02 -1.53 1.58 0.39 0.04 0.00 0.00 177.00 177.51 1x6m n GLU 63 N -2.56 1.98 0.00 4.56 -0.58 -1.26 -1.77 120.64 121.01 1x6m n GLU 63 Ca 0.12 0.72 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 1x6m n GLU 63 Cb 0.51 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.91 1x6m n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x6m n GLY 64 N 3.42 2.18 3.72 0.62 0.00 -1.26 -5.04 105.19 108.83 1x6m n GLY 64 Ca 0.18 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1x6m n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m s ALA 65 N -0.68 3.90 -0.41 4.61 0.00 -0.73 -4.92 121.76 123.53 1x6m s ALA 65 Ca 0.00 1.54 0.26 0.00 0.00 0.00 0.00 51.96 53.76 1x6m s ALA 65 Cb 0.00 -3.68 0.94 0.00 0.00 0.00 0.00 23.12 20.38 1x6m s ALA 65 CO 0.00 -0.91 1.78 -0.84 0.00 0.00 0.00 175.76 175.79 1x6m h ILE 66 N 3.89 0.00 -3.97 0.00 3.07 -1.80 -3.45 117.51 115.25 1x6m h ILE 66 Ca -0.43 -0.45 -0.68 0.00 1.55 0.00 0.00 64.86 64.85 1x6m h ILE 66 Cb 1.20 1.34 -0.23 0.00 -0.27 0.00 0.00 36.82 38.86 1x6m h ILE 66 CO 0.95 0.00 -0.87 -0.36 -1.05 0.00 0.00 178.15 176.82 1x6m s PHE 67 N -3.32 2.26 0.32 0.16 0.40 -0.81 -4.76 117.98 112.22 1x6m s PHE 67 Ca 0.06 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.86 1x6m s PHE 67 Cb 0.09 -1.25 -0.08 0.00 0.51 0.00 0.00 43.02 42.30 1x6m s PHE 67 CO 0.51 0.29 0.71 0.45 0.70 0.00 0.00 175.22 177.88 1x6m s SER 68 N -1.91 6.72 -0.35 1.36 0.15 0.84 -4.70 113.70 115.80 1x6m s SER 68 Ca 0.13 1.20 -0.02 0.00 0.70 0.00 0.00 55.95 57.96 1x6m s SER 68 Cb -0.10 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 61.95 1x6m s SER 68 CO 0.05 -0.21 0.10 -1.58 1.20 0.00 0.00 173.24 172.81 1x6m s GLN 69 N -3.05 2.15 0.10 5.44 0.74 -1.26 0.87 119.66 124.64 1x6m s GLN 69 Ca 0.53 -1.58 0.09 0.00 0.05 0.00 0.00 55.36 54.45 1x6m s GLN 69 Cb -0.10 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 1x6m s GLN 69 CO 0.20 -0.86 -0.24 0.54 -0.55 0.00 0.00 175.29 174.38 1x6m s VAL 70 N 1.17 1.98 0.35 1.34 0.11 -0.31 -4.39 120.40 120.65 1x6m s VAL 70 Ca 0.03 -1.58 0.06 0.00 -2.93 0.00 0.00 61.98 57.55 1x6m s VAL 70 Cb -0.21 -1.76 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1x6m s VAL 70 CO -0.03 0.07 0.23 0.00 -3.33 0.00 0.00 175.10 172.04 1x6m s ALA 71 N -1.05 2.18 0.02 1.54 0.00 -0.35 -1.30 121.76 122.81 1x6m s ALA 71 Ca 0.10 -1.78 0.07 0.00 0.00 0.00 0.00 51.96 50.35 1x6m s ALA 71 Cb -0.10 1.25 -0.02 0.00 0.00 0.00 0.00 23.12 24.25 1x6m s ALA 71 CO 0.04 -0.56 -0.21 0.54 0.00 0.00 0.00 175.76 175.58 1x6m s VAL 72 N -3.40 1.64 0.06 0.00 0.11 -0.67 -0.19 120.40 117.95 1x6m s VAL 72 Ca 0.35 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1x6m s VAL 72 Cb 0.02 -1.40 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 1x6m s VAL 72 CO 0.23 0.31 -0.06 0.54 -3.33 0.00 0.00 175.10 172.78 1x6m s VAL 73 N -0.67 0.52 0.11 2.04 0.11 0.57 -0.78 120.40 122.29 1x6m s VAL 73 Ca 0.08 -1.45 -0.32 0.00 -2.93 0.00 0.00 61.98 57.36 1x6m s VAL 73 Cb -0.08 -1.06 -0.11 0.00 -1.53 0.00 0.00 36.38 33.60 1x6m s VAL 73 CO 0.01 -0.64 1.83 0.61 -3.33 0.00 0.00 175.10 173.58 1x6m n GLY 74 N 0.79 1.63 0.36 6.54 0.00 -1.26 -0.34 105.19 112.91 1x6m n GLY 74 Ca -0.18 0.73 0.31 0.00 0.00 0.00 0.00 46.02 46.87 1x6m n GLY 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x6m h ARG 75 N 8.50 0.13 -0.75 1.61 2.43 -0.96 -0.15 114.38 125.20 1x6m h ARG 75 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1x6m h ARG 75 Cb 1.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1x6m h ARG 75 CO 0.94 0.09 0.00 -0.40 -1.51 0.00 0.00 179.97 179.09 1x6m n ASP 76 N -5.03 3.03 -0.26 -3.80 5.68 -1.26 -2.59 116.55 112.32 1x6m n ASP 76 Ca 0.36 -2.38 0.13 0.00 -0.50 0.00 0.00 54.79 52.39 1x6m n ASP 76 Cb 1.22 -0.54 0.31 0.00 -1.14 0.00 0.00 41.12 40.97 1x6m n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x6m n ALA 77 N 0.32 3.20 -3.23 2.12 0.00 -0.07 -4.93 120.51 117.93 1x6m n ALA 77 Ca 0.13 -0.44 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 1x6m n ALA 77 Cb 0.64 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 1x6m n ALA 77 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x6m s LEU 78 N -2.54 2.79 -0.04 0.00 2.96 -1.07 -0.52 118.68 120.26 1x6m s LEU 78 Ca 0.22 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1x6m s LEU 78 Cb 0.19 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 45.25 1x6m s LEU 78 CO 0.54 0.11 0.04 -0.70 -1.32 0.00 0.00 176.35 175.02 1x6m s GLU 79 N 0.70 0.05 -0.12 1.98 2.12 -0.69 -4.99 118.70 117.75 1x6m s GLU 79 Ca -0.05 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 1x6m s GLU 79 Cb -0.15 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.70 1x6m s GLU 79 CO 0.02 -0.27 1.37 0.08 -0.54 0.00 0.00 175.26 175.92 1x6m s VAL 80 N 1.79 4.07 -0.11 3.70 1.01 -1.26 0.12 120.40 129.70 1x6m s VAL 80 Ca 0.00 1.31 -0.07 0.00 0.00 0.00 0.00 61.98 63.22 1x6m s VAL 80 Cb -0.12 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1x6m s VAL 80 CO -0.03 -0.10 0.15 -0.07 0.00 0.00 0.00 175.10 175.05 1x6m h LEU 81 N 9.69 0.00 -7.95 3.92 3.38 -0.04 -3.48 115.31 120.83 1x6m h LEU 81 Ca -0.31 -0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.27 1x6m h LEU 81 Cb 1.13 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 1x6m h LEU 81 CO 0.96 0.65 -0.67 -1.83 0.09 0.00 0.00 178.44 177.64 1x6m s GLU 82 N -1.77 0.34 0.00 1.13 -1.05 -1.14 -4.86 118.70 111.35 1x6m s GLU 82 Ca -0.06 -0.58 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 1x6m s GLU 82 Cb -0.00 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1x6m s GLU 82 CO 0.18 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.74 1x6m n GLY 83 N 1.58 0.72 0.37 -3.83 0.00 -1.26 -0.89 105.19 101.87 1x6m n GLY 83 Ca -0.24 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.59 1x6m n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 84 N 0.00 2.18 0.00 4.61 0.00 -1.92 -1.46 119.26 122.67 1x6m h ALA 84 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1x6m h ALA 84 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1x6m h ALA 84 CO 0.00 -0.34 -0.12 1.05 0.00 0.00 0.00 179.25 179.84 1x6m h GLU 85 N 0.28 0.00 -0.01 0.00 9.09 -2.01 -2.58 114.58 119.36 1x6m h GLU 85 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1x6m h GLU 85 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.85 1x6m h GLU 85 CO -0.07 0.12 0.00 1.63 0.05 0.00 0.00 179.01 180.75 1x6m n LYS 86 N -3.58 1.23 -3.34 1.06 5.02 -0.55 -4.92 118.16 113.09 1x6m n LYS 86 Ca -0.02 -0.33 -0.38 0.00 -2.02 0.00 0.00 58.31 55.56 1x6m n LYS 86 Cb 0.26 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1x6m n LYS 86 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x6m s LEU 87 N -1.97 4.36 0.09 -0.35 1.43 -0.97 -0.74 118.68 120.54 1x6m s LEU 87 Ca 0.43 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1x6m s LEU 87 Cb 0.21 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1x6m s LEU 87 CO 0.35 0.11 -0.13 -1.83 0.23 0.00 0.00 176.35 175.08 1x6m s GLU 88 N -0.02 0.87 0.15 1.70 -1.05 -0.70 -4.93 118.70 114.73 1x6m s GLU 88 Ca 0.26 -1.07 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 1x6m s GLU 88 Cb -0.16 -0.77 -0.07 0.00 -0.44 0.00 0.00 34.13 32.69 1x6m s GLU 88 CO 0.13 0.15 0.94 0.42 0.95 0.00 0.00 175.26 177.85 1x6m s ILE 89 N -1.78 4.36 -0.01 1.83 1.01 -1.26 -0.07 121.20 125.28 1x6m s ILE 89 Ca 0.02 2.05 -0.23 0.00 0.00 0.00 0.00 60.65 62.49 1x6m s ILE 89 Cb -0.07 -4.31 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 1x6m s ILE 89 CO 0.02 0.39 1.19 0.58 0.00 0.00 0.00 174.94 177.12 1x6m h VAL 90 N 3.72 1.44 -2.64 2.92 2.07 -1.53 -3.44 116.25 118.78 1x6m h VAL 90 Ca -0.44 -1.59 -0.28 0.00 0.82 0.00 0.00 66.70 65.20 1x6m h VAL 90 Cb 1.21 2.32 -0.35 0.00 -1.52 0.00 0.00 31.29 32.95 1x6m h VAL 90 CO 0.70 0.45 -0.60 0.21 0.02 0.00 0.00 177.57 178.35 1x6m s ASN 91 N -6.18 1.02 0.31 0.57 2.47 -1.26 -5.01 114.94 106.86 1x6m s ASN 91 Ca -0.15 0.05 0.26 0.00 0.42 0.00 0.00 52.86 53.44 1x6m s ASN 91 Cb 0.03 0.47 0.88 0.00 -1.45 0.00 0.00 41.25 41.18 1x6m s ASN 91 CO 0.74 -0.30 1.76 0.00 -3.72 0.00 0.00 177.10 175.59 1x6m h ALA 92 N 8.31 1.00 0.06 1.71 0.00 -1.96 -2.99 119.26 125.39 1x6m h ALA 92 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1x6m h ALA 92 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1x6m h ALA 92 CO 0.23 0.00 -1.07 1.49 0.00 0.00 0.00 179.25 179.90 1x6m h GLU 93 N 0.00 0.17 -6.81 0.00 4.57 -1.97 -3.47 114.58 107.06 1x6m h GLU 93 Ca 0.00 -0.25 -0.54 0.00 -1.18 0.00 0.00 59.36 57.38 1x6m h GLU 93 Cb 0.62 0.09 0.09 0.00 -0.16 0.00 0.00 28.75 29.39 1x6m h GLU 93 CO 0.00 1.08 0.80 0.00 -1.18 0.00 0.00 179.01 179.71 1x6m n ALA 94 N -2.46 2.28 -0.34 2.92 0.00 -1.13 -4.94 120.51 116.84 1x6m n ALA 94 Ca -0.04 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.87 1x6m n ALA 94 Cb 0.94 -2.42 0.30 0.00 0.00 0.00 0.00 19.45 18.27 1x6m n ALA 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1x6m h PRO 95 N 4.07 0.82 -4.81 0.00 0.11 -1.90 -3.33 132.00 126.95 1x6m h PRO 95 Ca -0.48 -0.05 -0.67 0.00 0.11 0.00 0.00 66.00 64.91 1x6m h PRO 95 Cb 1.24 -0.19 -0.23 0.00 0.11 0.00 0.00 31.00 31.93 1x6m h PRO 95 CO 0.74 0.55 -0.58 0.42 -0.21 0.00 0.00 178.00 178.91 1x6m s ILE 96 N -5.86 4.41 -0.36 4.15 1.01 -1.26 -4.36 121.20 118.93 1x6m s ILE 96 Ca -0.11 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.86 1x6m s ILE 96 Cb 0.23 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.49 1x6m s ILE 96 CO 0.80 0.12 0.83 -1.10 0.00 0.00 0.00 174.94 175.59 1x6m s GLN 97 N 1.59 3.79 -0.46 2.79 -0.21 -0.03 -4.80 119.66 122.33 1x6m s GLN 97 Ca 0.04 0.41 -0.21 0.00 0.02 0.00 0.00 55.36 55.63 1x6m s GLN 97 Cb -0.17 -3.80 0.03 0.00 1.00 0.00 0.00 33.01 30.07 1x6m s GLN 97 CO 0.05 -0.87 0.67 1.03 -2.12 0.00 0.00 175.29 174.05 1x6m s ARG 98 N 3.20 3.25 -0.34 2.91 0.52 -1.26 -0.75 118.95 126.48 1x6m s ARG 98 Ca 0.33 -0.47 -0.27 0.00 -0.52 0.00 0.00 55.73 54.81 1x6m s ARG 98 Cb -0.13 -3.99 0.01 0.00 0.52 0.00 0.00 34.95 31.36 1x6m s ARG 98 CO 0.17 -1.10 0.98 -1.01 0.02 0.00 0.00 175.30 174.36 1x6m s HIS 99 N 2.89 3.13 -0.05 -0.53 3.76 0.03 -1.19 115.29 123.34 1x6m s HIS 99 Ca 0.22 0.98 0.06 0.00 -0.15 0.00 0.00 55.06 56.17 1x6m s HIS 99 Cb -0.15 -3.62 -0.02 0.00 1.11 0.00 0.00 32.58 29.90 1x6m s HIS 99 CO 0.18 -0.77 -0.22 0.50 -0.85 0.00 0.00 174.74 173.58 1x6m s ARG 100 N 3.50 2.42 0.06 1.40 3.52 0.90 0.31 118.95 131.06 1x6m s ARG 100 Ca 0.41 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 1x6m s ARG 100 Cb -0.12 -2.20 -0.08 0.00 -1.56 0.00 0.00 34.95 30.99 1x6m s ARG 100 CO 0.16 0.50 1.62 0.00 -0.81 0.00 0.00 175.30 176.77 1x6m h ARG 102 N 8.21 0.00 0.00 0.00 0.11 -1.28 0.52 114.38 121.95 1x6m h ARG 102 Ca -0.42 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.28 1x6m h ARG 102 Cb 1.20 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.21 1x6m h ARG 102 CO 0.93 0.07 -2.41 -0.25 0.10 0.00 0.00 179.97 178.40 1x6m n ASP 103 N -3.53 0.97 -0.00 0.08 10.43 -1.26 -4.62 116.55 118.62 1x6m n ASP 103 Ca -0.02 -0.05 0.02 0.00 2.57 0.00 0.00 54.79 57.31 1x6m n ASP 103 Cb 0.19 0.29 -0.03 0.00 1.84 0.00 0.00 41.12 43.42 1x6m n ASP 103 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1x6m n GLY 105 N 1.20 0.90 3.72 0.00 0.00 0.17 -4.93 105.19 106.25 1x6m n GLY 105 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1x6m n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 106 N -3.57 3.88 -0.19 1.61 1.01 -1.26 -4.66 120.40 117.23 1x6m s VAL 106 Ca 0.00 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 1x6m s VAL 106 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1x6m s VAL 106 CO 0.00 0.13 1.26 -1.00 0.00 0.00 0.00 175.10 175.49 1x6m s HIS 107 N 0.85 2.83 -0.04 5.22 0.09 -1.26 -0.36 115.29 122.63 1x6m s HIS 107 Ca 0.58 1.00 0.01 0.00 -0.00 0.00 0.00 55.06 56.65 1x6m s HIS 107 Cb -0.31 -3.56 -0.26 0.00 -0.00 0.00 0.00 32.58 28.46 1x6m s HIS 107 CO 0.31 -1.67 0.69 0.52 -0.00 0.00 0.00 174.74 174.59 1x6m h MET 108 N 8.36 0.17 -2.31 1.40 2.07 -0.51 -3.43 114.93 120.68 1x6m h MET 108 Ca -0.26 -0.29 0.08 0.00 -2.07 0.00 0.00 59.70 57.16 1x6m h MET 108 Cb 1.10 0.11 -0.16 0.00 -1.87 0.00 0.00 31.60 30.78 1x6m h MET 108 CO 0.98 0.95 0.44 1.52 1.07 0.00 0.00 176.91 181.87 1x6m s TYR 109 N -2.60 -0.39 -0.07 -0.22 -0.85 -1.20 -4.70 117.35 107.32 1x6m s TYR 109 Ca -0.11 0.31 0.04 0.00 -0.52 0.00 0.00 57.07 56.79 1x6m s TYR 109 Cb 0.07 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.92 1x6m s TYR 109 CO 0.82 -0.57 -0.18 0.20 -1.52 0.00 0.00 175.55 174.30 1x6m s GLY 110 N -2.33 1.44 -0.02 5.49 0.00 0.26 -0.79 107.32 111.37 1x6m s GLY 110 Ca 0.03 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.82 1x6m s GLY 110 CO -0.08 -0.57 -0.19 -1.60 0.00 0.00 0.00 173.10 170.65 1x6m s ARG 111 N -0.23 1.69 -0.23 2.90 3.52 0.07 -1.49 118.95 125.18 1x6m s ARG 111 Ca -0.00 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.83 1x6m s ARG 111 Cb -0.13 -1.58 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 1x6m s ARG 111 CO 0.03 0.38 0.07 0.42 -0.81 0.00 0.00 175.30 175.40 1x6m s ILE 112 N -0.34 4.47 -0.14 4.11 1.01 -1.26 -0.85 121.20 128.20 1x6m s ILE 112 Ca 0.05 -0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1x6m s ILE 112 Cb -0.09 -3.07 -0.23 0.00 0.01 0.00 0.00 42.46 39.08 1x6m s ILE 112 CO 0.00 0.37 0.28 1.21 0.00 0.00 0.00 174.94 176.80 1x6m n GLU 113 N 4.56 0.68 -2.79 2.79 4.07 -1.26 -4.65 120.64 124.03 1x6m n GLU 113 Ca -0.16 0.19 -0.43 0.00 -0.06 0.00 0.00 57.16 56.70 1x6m n GLU 113 Cb 0.52 -1.66 -0.04 0.00 -0.06 0.00 0.00 31.44 30.20 1x6m n GLU 113 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1x6m s ASN 114 N -6.29 6.54 0.55 4.31 2.47 -1.26 -4.92 114.94 116.34 1x6m s ASN 114 Ca -0.16 0.23 0.30 0.00 0.42 0.00 0.00 52.86 53.64 1x6m s ASN 114 Cb 0.07 -2.46 1.63 0.00 -1.45 0.00 0.00 41.25 39.04 1x6m s ASN 114 CO 0.77 -1.04 1.90 -0.09 -3.72 0.00 0.00 177.10 174.92 1x6m h ARG 115 N 9.00 0.00 -0.02 0.43 2.43 -2.00 -1.85 114.38 122.38 1x6m h ARG 115 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1x6m h ARG 115 Cb 1.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1x6m h ARG 115 CO 1.03 0.00 -0.38 -0.25 -1.51 0.00 0.00 179.97 178.86 1x6m n ASP 116 N -2.69 2.22 -4.76 -3.80 10.43 -1.26 -4.90 116.55 111.79 1x6m n ASP 116 Ca -0.02 -1.61 -0.41 0.00 2.57 0.00 0.00 54.79 55.32 1x6m n ASP 116 Cb 0.22 0.38 -0.03 0.00 1.84 0.00 0.00 41.12 43.53 1x6m n ASP 116 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1x6m s HIS 117 N -2.38 3.17 0.51 1.24 2.46 -0.70 -4.94 115.29 114.65 1x6m s HIS 117 Ca 0.21 1.41 0.25 0.00 0.47 0.00 0.00 55.06 57.40 1x6m s HIS 117 Cb 0.18 -3.61 1.35 0.00 -0.13 0.00 0.00 32.58 30.37 1x6m s HIS 117 CO 0.52 -1.70 1.93 -1.35 -2.47 0.00 0.00 174.74 171.67 1x6m h PRO 118 N 3.86 0.09 -0.47 2.88 0.11 -1.92 -2.12 132.00 134.43 1x6m h PRO 118 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1x6m h PRO 118 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1x6m h PRO 118 CO 0.68 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.72 1x6m n PHE 119 N -4.37 1.51 -1.91 0.65 3.72 -1.26 -4.97 117.46 110.83 1x6m n PHE 119 Ca 0.14 -0.75 -0.41 0.00 -0.05 0.00 0.00 57.45 56.38 1x6m n PHE 119 Cb 0.73 -0.37 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1x6m n PHE 119 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1x6m s TYR 120 N -2.54 2.88 0.00 1.38 5.04 -0.80 -2.01 117.35 121.31 1x6m s TYR 120 Ca 0.48 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 1x6m s TYR 120 Cb 0.36 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.75 1x6m s TYR 120 CO 0.15 -3.01 0.00 0.41 -1.34 0.00 0.00 175.55 171.76 1x6m n GLY 121 N 1.98 0.60 3.03 8.97 0.00 -1.26 -5.04 105.19 113.46 1x6m n GLY 121 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1x6m n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 122 N 0.00 1.63 0.03 0.99 1.43 -0.85 -0.26 118.68 121.65 1x6m s LEU 122 Ca 0.00 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.63 1x6m s LEU 122 Cb 0.00 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.22 1x6m s LEU 122 CO 0.00 0.01 0.38 -1.81 0.23 0.00 0.00 176.35 175.17 1x6m s ASP 123 N 0.89 6.69 -0.06 2.29 1.01 0.53 -4.33 116.67 123.68 1x6m s ASP 123 Ca -0.10 0.83 -0.16 0.00 0.71 0.00 0.00 52.55 53.83 1x6m s ASP 123 Cb -0.15 -2.20 -0.05 0.00 1.01 0.00 0.00 42.92 41.53 1x6m s ASP 123 CO 0.01 0.25 0.42 -0.36 0.21 0.00 0.00 175.17 175.70 1x6m s PHE 124 N -1.25 3.62 0.02 4.23 0.08 -0.55 -0.32 117.98 123.81 1x6m s PHE 124 Ca 0.28 0.91 -0.01 0.00 0.12 0.00 0.00 56.93 58.23 1x6m s PHE 124 Cb -0.15 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1x6m s PHE 124 CO 0.15 0.42 -0.01 0.14 -0.10 0.00 0.00 175.22 175.82 1x6m s VAL 125 N -0.26 0.10 -0.49 -0.44 -7.23 0.73 -0.57 120.40 112.24 1x6m s VAL 125 Ca 0.24 -0.84 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1x6m s VAL 125 Cb -0.16 -0.27 0.11 0.00 0.56 0.00 0.00 36.38 36.63 1x6m s VAL 125 CO 0.11 -0.46 0.39 -1.00 -0.31 0.00 0.00 175.10 173.83 1x6m s HIS 126 N -1.38 3.33 -1.07 2.82 3.76 -1.26 -1.21 115.29 120.28 1x6m s HIS 126 Ca -0.15 -1.50 0.29 0.00 -0.15 0.00 0.00 55.06 53.55 1x6m s HIS 126 Cb -0.09 -3.48 1.27 0.00 1.11 0.00 0.00 32.58 31.39 1x6m s HIS 126 CO -0.01 -0.96 1.94 0.25 -0.85 0.00 0.00 174.74 175.12 1x6m n THR 127 N 5.07 0.00 0.21 1.30 -2.24 -1.26 -1.70 114.28 115.65 1x6m n THR 127 Ca -0.11 -0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1x6m n THR 127 Cb 0.41 -0.49 0.73 0.00 -2.10 0.00 0.00 70.33 68.89 1x6m n THR 127 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x6m h GLU 128 N 0.00 0.00 0.00 -0.78 4.11 -1.92 -1.68 114.58 114.32 1x6m h GLU 128 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x6m h GLU 128 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1x6m h GLU 128 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.36 1x6m n LEU 129 N -2.45 0.00 -4.75 3.06 4.77 -0.69 -4.74 117.00 112.20 1x6m n LEU 129 Ca -0.02 0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1x6m n LEU 129 Cb 0.05 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1x6m n LEU 129 CO 0.12 -0.01 -0.27 -0.55 -1.33 0.00 0.00 177.39 175.35 1x6m s SER 130 N -2.09 5.55 0.21 -1.43 0.15 -0.63 -2.13 113.70 113.32 1x6m s SER 130 Ca 0.37 0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.43 1x6m s SER 130 Cb 0.18 -1.59 0.86 0.00 -1.71 0.00 0.00 66.02 63.76 1x6m s SER 130 CO 0.31 0.31 1.77 0.47 1.20 0.00 0.00 173.24 177.31 1x6m n ASP 131 N 1.54 0.74 -4.89 5.45 8.00 -1.26 -4.90 116.55 121.23 1x6m n ASP 131 Ca -0.15 0.59 -0.27 0.00 0.71 0.00 0.00 54.79 55.66 1x6m n ASP 131 Cb 0.53 -0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 40.81 1x6m n ASP 131 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x6m s GLU 132 N -3.13 3.25 0.33 -1.24 -1.05 -1.26 -5.12 118.70 110.48 1x6m s GLU 132 Ca 0.10 -0.67 0.07 0.00 -0.15 0.00 0.00 54.97 54.31 1x6m s GLU 132 Cb 0.12 -2.86 -0.01 0.00 -0.44 0.00 0.00 34.13 30.94 1x6m s GLU 132 CO 0.56 0.52 0.45 -0.51 0.95 0.00 0.00 175.26 177.23 1x6m s ASP 133 N -3.09 5.94 0.00 0.83 1.01 -1.26 -4.71 116.67 115.39 1x6m s ASP 133 Ca 0.33 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.39 1x6m s ASP 133 Cb -0.11 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1x6m s ASP 133 CO 0.27 -0.41 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1x6m n GLY 134 N -1.62 0.88 3.74 0.21 0.00 -1.26 -4.86 105.19 102.29 1x6m n GLY 134 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x6m n GLY 134 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x6m s TRP 135 N -2.00 2.30 0.05 1.61 0.52 -1.26 -2.25 118.94 117.90 1x6m s TRP 135 Ca 0.00 1.55 -0.37 0.00 0.02 0.00 0.00 56.10 57.30 1x6m s TRP 135 Cb 0.00 -3.43 -0.16 0.00 -1.15 0.00 0.00 33.47 28.73 1x6m s TRP 135 CO 0.00 -2.28 1.41 0.45 0.02 0.00 0.00 176.95 176.55 1x6m n SER 136 N -2.16 1.85 -4.79 2.95 2.88 -1.26 -3.70 113.62 109.40 1x6m n SER 136 Ca 0.13 1.11 -0.35 0.00 -1.33 0.00 0.00 58.87 58.43 1x6m n SER 136 Cb 0.50 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.74 1x6m n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x6m s ALA 137 N 0.91 2.81 0.11 -1.46 0.00 -1.26 -4.71 121.76 118.16 1x6m s ALA 137 Ca 0.86 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 1x6m s ALA 137 Cb -0.94 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 18.79 1x6m s ALA 137 CO 0.48 -0.51 1.49 -1.25 0.00 0.00 0.00 175.76 175.98 1x6m s PRO 138 N -3.22 4.26 -0.04 0.00 0.05 -1.26 -4.15 135.00 130.64 1x6m s PRO 138 Ca 0.69 2.20 0.15 0.00 0.05 0.00 0.00 61.00 64.09 1x6m s PRO 138 Cb -0.20 -3.30 -0.22 0.00 0.05 0.00 0.00 34.50 30.83 1x6m s PRO 138 CO 0.23 -0.55 0.28 0.39 0.05 0.00 0.00 177.00 177.40 1x6m n GLU 139 N 4.35 0.71 -3.85 4.56 1.02 0.13 -4.90 120.64 122.65 1x6m n GLU 139 Ca 0.13 -0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.12 1x6m n GLU 139 Cb 0.41 -1.36 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 1x6m n GLU 139 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1x6m s PHE 140 N -2.91 0.05 -0.13 -0.32 -0.12 -1.26 -4.35 117.98 108.93 1x6m s PHE 140 Ca -0.06 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1x6m s PHE 140 Cb 0.09 0.72 -0.00 0.00 -0.63 0.00 0.00 43.02 43.19 1x6m s PHE 140 CO 0.62 -1.03 -0.18 0.00 -0.05 0.00 0.00 175.22 174.58 1x6m s ALA 141 N -2.37 2.40 0.13 1.99 0.00 -0.57 -1.79 121.76 121.55 1x6m s ALA 141 Ca 0.19 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.22 1x6m s ALA 141 Cb -0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1x6m s ALA 141 CO 0.06 0.13 0.03 0.00 0.00 0.00 0.00 175.76 175.98 1x6m s ALA 142 N 0.56 3.32 -1.53 0.00 0.00 0.12 -1.28 121.76 122.95 1x6m s ALA 142 Ca -0.11 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.54 1x6m s ALA 142 Cb -0.16 -1.17 0.08 0.00 0.00 0.00 0.00 23.12 21.87 1x6m s ALA 142 CO 0.04 0.60 0.76 1.19 0.00 0.00 0.00 175.76 178.35 1x6m n PHE 143 N 0.20 -1.94 -0.24 0.00 3.72 -0.33 -0.56 117.46 118.31 1x6m n PHE 143 Ca -0.10 0.83 0.02 0.00 -0.05 0.00 0.00 57.45 58.16 1x6m n PHE 143 Cb 0.53 -3.67 0.15 0.00 -0.94 0.00 0.00 39.48 35.55 1x6m n PHE 143 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1x6m h VAL 144 N -1.83 0.77 0.00 -4.37 2.07 -0.97 -1.93 116.25 109.98 1x6m h VAL 144 Ca -0.60 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1x6m h VAL 144 Cb 1.38 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1x6m h VAL 144 CO 0.68 0.09 -0.01 0.77 0.02 0.00 0.00 177.57 179.12 1x6m h SER 145 N 0.51 0.00 0.21 0.57 4.64 -1.85 -2.87 113.55 114.76 1x6m h SER 145 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1x6m h SER 145 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1x6m h SER 145 CO -0.32 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.45 1x6m n SER 146 N -3.11 0.00 0.03 4.97 7.64 -0.73 -2.19 113.62 120.23 1x6m n SER 146 Ca -0.00 -0.37 0.13 0.00 1.01 0.00 0.00 58.87 59.64 1x6m n SER 146 Cb 0.26 -0.15 0.55 0.00 -1.01 0.00 0.00 64.21 63.87 1x6m n SER 146 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1x6m n ILE 147 N -1.15 0.20 -0.18 0.44 -5.35 -1.08 -3.00 119.36 109.23 1x6m n ILE 147 Ca 0.14 -0.05 -0.10 0.00 -0.27 0.00 0.00 62.75 62.47 1x6m n ILE 147 Cb 0.13 -0.55 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 1x6m n ILE 147 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 1x6m h ILE 148 N 0.00 1.27 -0.31 7.28 2.04 -1.65 -2.31 117.51 123.82 1x6m h ILE 148 Ca 0.00 -1.20 0.09 0.00 1.00 0.00 0.00 64.86 64.75 1x6m h ILE 148 Cb 0.54 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1x6m h ILE 148 CO 0.00 0.42 0.26 -0.33 0.00 0.00 0.00 178.15 178.51 1x6m h GLU 149 N 0.86 0.00 0.00 2.37 5.08 -1.75 0.17 114.58 121.31 1x6m h GLU 149 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1x6m h GLU 149 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1x6m h GLU 149 CO 0.04 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.48 1x6m n SER 150 N -4.14 0.59 0.00 1.42 7.64 -1.05 -4.88 113.62 113.20 1x6m n SER 150 Ca 0.05 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1x6m n SER 150 Cb 0.43 -0.75 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1x6m n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6m n GLY 151 N 0.51 1.19 3.72 0.23 0.00 0.59 -5.07 105.19 106.37 1x6m n GLY 151 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1x6m n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x6m s VAL 152 N -2.00 3.72 0.12 1.61 1.01 -0.90 -4.98 120.40 118.99 1x6m s VAL 152 Ca 0.00 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.94 1x6m s VAL 152 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1x6m s VAL 152 CO 0.00 0.12 1.47 -0.62 0.00 0.00 0.00 175.10 176.06 1x6m s ASP 153 N 0.92 6.73 0.57 3.32 2.15 -1.26 -4.41 116.67 124.69 1x6m s ASP 153 Ca 0.60 2.43 0.34 0.00 0.43 0.00 0.00 52.55 56.34 1x6m s ASP 153 Cb -0.32 -2.59 1.40 0.00 -0.30 0.00 0.00 42.92 41.11 1x6m s ASP 153 CO 0.31 -0.73 1.67 -0.65 -0.17 0.00 0.00 175.17 175.60 1x6m h PRO 154 N 6.93 0.00 -0.00 4.34 0.11 -1.94 0.21 132.00 141.64 1x6m h PRO 154 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1x6m h PRO 154 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1x6m h PRO 154 CO 0.89 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 177.53 1x6m n SER 155 N -3.78 0.09 -0.29 -2.05 3.41 -1.26 -3.29 113.62 106.45 1x6m n SER 155 Ca 0.23 -0.48 0.15 0.00 -0.26 0.00 0.00 58.87 58.51 1x6m n SER 155 Cb 1.29 -0.17 0.66 0.00 -0.26 0.00 0.00 64.21 65.74 1x6m n SER 155 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x6m n ARG 156 N -1.13 1.36 0.00 4.33 1.74 0.06 -4.52 116.66 118.49 1x6m n ARG 156 Ca 0.17 -0.59 -0.17 0.00 -0.77 0.00 0.00 57.85 56.49 1x6m n ARG 156 Cb 0.21 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.04 1x6m n ARG 156 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1x6m h MET 157 N 1.45 0.30 -0.95 5.56 2.86 -1.72 -1.91 114.93 120.51 1x6m h MET 157 Ca 0.00 -0.37 0.17 0.00 -2.06 0.00 0.00 59.70 57.44 1x6m h MET 157 Cb 0.33 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.02 1x6m h MET 157 CO 0.00 1.08 0.60 1.49 1.06 0.00 0.00 176.91 181.14 1x6m h GLU 158 N -0.31 0.69 0.00 1.72 4.81 -1.84 -0.51 114.58 119.14 1x6m h GLU 158 Ca -0.07 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1x6m h GLU 158 Cb 1.29 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1x6m h GLU 158 CO 0.10 0.46 -0.59 0.00 -0.73 0.00 0.00 179.01 178.25 1x6m h ALA 159 N 1.60 0.68 0.11 2.92 0.00 -1.84 -2.54 119.26 120.19 1x6m h ALA 159 Ca 0.50 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1x6m h ALA 159 Cb 0.83 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.61 1x6m h ALA 159 CO -0.27 0.62 -0.97 0.82 0.00 0.00 0.00 179.25 179.46 1x6m h ILE 160 N 0.00 1.39 -0.04 0.00 2.04 -0.42 -2.42 117.51 118.06 1x6m h ILE 160 Ca -0.02 -2.40 -0.09 0.00 1.00 0.00 0.00 64.86 63.34 1x6m h ILE 160 Cb 1.39 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.31 1x6m h ILE 160 CO 0.06 0.71 -0.39 0.03 0.00 0.00 0.00 178.15 178.55 1x6m h ARG 161 N -0.03 0.08 -0.21 2.37 3.08 -1.22 -1.13 114.38 117.32 1x6m h ARG 161 Ca -0.15 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.68 1x6m h ARG 161 Cb 1.70 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1x6m h ARG 161 CO 0.19 0.47 -0.60 0.00 -1.07 0.00 0.00 179.97 178.95 1x6m h ALA 162 N 1.53 0.36 -0.30 0.04 0.00 -1.55 -0.54 119.26 118.80 1x6m h ALA 162 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1x6m h ALA 162 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x6m h ALA 162 CO 0.05 0.61 -0.22 -0.09 0.00 0.00 0.00 179.25 179.60 1x6m h ARG 163 N 0.51 0.68 -0.89 0.00 9.65 -1.39 0.82 114.38 123.75 1x6m h ARG 163 Ca -0.02 -0.33 0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1x6m h ARG 163 Cb 1.22 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.73 1x6m h ARG 163 CO 0.13 0.93 0.55 -0.07 2.80 0.00 0.00 179.97 184.31 1x6m h LEU 164 N 0.43 0.85 -0.44 3.80 3.38 -1.25 -0.51 115.31 121.56 1x6m h LEU 164 Ca 0.06 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1x6m h LEU 164 Cb 0.77 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1x6m h LEU 164 CO 0.06 0.52 -0.55 0.03 0.09 0.00 0.00 178.44 178.58 1x6m h ARG 165 N 0.97 0.66 -0.41 1.13 3.08 -0.90 -0.67 114.38 118.25 1x6m h ARG 165 Ca 0.41 -0.42 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1x6m h ARG 165 Cb 0.26 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1x6m h ARG 165 CO -0.20 1.04 0.28 1.49 -1.07 0.00 0.00 179.97 181.51 1x6m h GLU 166 N 0.51 0.19 0.00 0.04 4.81 -0.61 -0.55 114.58 118.97 1x6m h GLU 166 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x6m h GLU 166 Cb 1.12 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1x6m h GLU 166 CO 0.11 0.13 -0.13 1.28 -0.73 0.00 0.00 179.01 179.67 1x6m n LEU 167 N -4.46 0.69 -0.39 1.64 4.32 -0.22 -4.93 117.00 113.65 1x6m n LEU 167 Ca 0.06 0.49 -0.03 0.00 -0.02 0.00 0.00 56.01 56.50 1x6m n LEU 167 Cb 0.34 -0.31 -0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1x6m n LEU 167 CO 0.35 -0.13 -0.04 0.61 -1.22 0.00 0.00 177.39 176.96 1x6m n GLY 168 N 1.34 0.25 3.24 -0.72 0.00 -0.21 -4.87 105.19 104.22 1x6m n GLY 168 Ca 0.05 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1x6m n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x6m s LEU 169 N -0.97 4.51 0.01 0.99 1.43 -0.29 -4.77 118.68 119.58 1x6m s LEU 169 Ca 0.00 -1.31 -0.30 0.00 -1.03 0.00 0.00 54.13 51.49 1x6m s LEU 169 Cb -0.00 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 1x6m s LEU 169 CO 0.00 -0.38 1.42 -0.70 0.23 0.00 0.00 176.35 176.93 1x6m s GLU 170 N 1.36 4.28 0.06 1.70 2.56 -1.26 -3.72 118.70 123.68 1x6m s GLU 170 Ca -0.00 2.00 -0.31 0.00 0.00 0.00 0.00 54.97 56.66 1x6m s GLU 170 Cb -0.20 -3.57 -0.07 0.00 2.00 0.00 0.00 34.13 32.29 1x6m s GLU 170 CO 0.01 -0.58 1.42 -1.25 -0.56 0.00 0.00 175.26 174.30 1x6m s PRO 171 N 2.38 4.30 0.05 4.30 0.04 -1.26 -1.52 135.00 143.29 1x6m s PRO 171 Ca 0.65 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.78 1x6m s PRO 171 Cb -0.32 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 1x6m s PRO 171 CO 0.27 -0.52 -0.12 0.71 0.04 0.00 0.00 177.00 177.38 1x6m s TYR 172 N 1.78 1.08 -2.48 0.56 2.02 -0.40 -4.96 117.35 114.95 1x6m s TYR 172 Ca 0.65 -0.42 0.25 0.00 -0.37 0.00 0.00 57.07 57.18 1x6m s TYR 172 Cb -0.35 -0.62 0.82 0.00 -0.40 0.00 0.00 41.96 41.41 1x6m s TYR 172 CO 0.29 0.02 1.61 -0.25 -1.57 0.00 0.00 175.55 175.65 1x6m n ASP 173 N 1.56 1.84 0.00 2.29 8.00 -1.26 -0.40 116.55 128.57 1x6m n ASP 173 Ca -0.20 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.64 1x6m n ASP 173 Cb 0.55 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1x6m n ASP 173 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x6m n ALA 174 N 0.43 0.00 -1.96 2.24 0.00 -1.26 -4.26 120.51 115.70 1x6m n ALA 174 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.34 1x6m n ALA 174 Cb 0.39 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.01 1x6m n ALA 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6m s LEU 175 N 0.00 2.82 0.70 0.00 1.43 -1.26 -1.74 118.68 120.62 1x6m s LEU 175 Ca 0.00 -0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1x6m s LEU 175 Cb 0.00 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1x6m s LEU 175 CO 0.00 -2.50 1.19 -0.94 0.23 0.00 0.00 176.35 174.33 1x6m s SER 176 N -4.88 4.49 0.32 2.29 1.04 -1.26 -4.76 113.70 110.94 1x6m s SER 176 Ca 0.73 2.31 0.08 0.00 0.48 0.00 0.00 55.95 59.55 1x6m s SER 176 Cb -0.03 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.31 1x6m s SER 176 CO 0.50 -2.06 1.77 -0.65 0.98 0.00 0.00 173.24 173.78 1x6m h PRO 177 N -0.05 0.66 -0.44 4.02 0.11 -1.98 0.19 132.00 134.51 1x6m h PRO 177 Ca -0.48 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1x6m h PRO 177 Cb 1.29 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1x6m h PRO 177 CO 0.51 0.44 0.15 -1.35 -0.21 0.00 0.00 178.00 177.55 1x6m h PRO 178 N 0.68 0.68 -0.50 1.05 0.11 -1.98 -0.46 132.00 131.58 1x6m h PRO 178 Ca 0.59 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 1x6m h PRO 178 Cb 1.03 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1x6m h PRO 178 CO -0.39 0.64 0.11 -0.07 -0.21 0.00 0.00 178.00 178.08 1x6m h LEU 179 N 0.57 0.72 -0.45 2.35 3.38 -1.76 -1.16 115.31 118.97 1x6m h LEU 179 Ca 0.14 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1x6m h LEU 179 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1x6m h LEU 179 CO -0.01 0.72 -0.74 0.24 0.09 0.00 0.00 178.44 178.74 1x6m h MET 180 N 0.74 0.27 -0.29 1.13 2.86 -0.87 -1.57 114.93 117.21 1x6m h MET 180 Ca 0.16 -0.23 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 1x6m h MET 180 Cb 0.30 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1x6m h MET 180 CO 0.00 0.89 -0.50 -0.44 1.06 0.00 0.00 176.91 177.93 1x6m h ASP 181 N 0.18 0.88 -0.82 1.22 5.19 -0.98 -2.04 116.42 120.05 1x6m h ASP 181 Ca -0.03 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 55.91 1x6m h ASP 181 Cb 1.31 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.53 1x6m h ASP 181 CO 0.12 1.23 0.42 0.00 -3.12 0.00 0.00 179.24 177.88 1x6m h ALA 182 N 0.80 1.06 -0.12 3.45 0.00 -1.16 -1.38 119.26 121.90 1x6m h ALA 182 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1x6m h ALA 182 Cb 1.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x6m h ALA 182 CO 0.11 0.60 0.03 0.82 0.00 0.00 0.00 179.25 180.81 1x6m h ILE 183 N 1.16 1.19 -0.53 0.00 2.04 -1.18 -1.69 117.51 118.50 1x6m h ILE 183 Ca 0.29 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1x6m h ILE 183 Cb 0.08 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1x6m h ILE 183 CO -0.04 0.17 0.08 0.00 0.00 0.00 0.00 178.15 178.36 1x6m h ALA 184 N 0.84 1.15 -0.30 1.87 0.00 -1.34 -0.55 119.26 120.93 1x6m h ALA 184 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1x6m h ALA 184 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x6m h ALA 184 CO -0.00 0.56 0.19 1.15 0.00 0.00 0.00 179.25 181.15 1x6m h THR 185 N 0.79 1.09 0.06 0.00 2.02 -1.19 0.52 112.91 116.21 1x6m h THR 185 Ca 0.17 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1x6m h THR 185 Cb 0.37 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1x6m h THR 185 CO 0.01 0.09 -0.16 -0.74 0.37 0.00 0.00 175.52 175.09 1x6m h HIS 186 N 0.40 -0.43 -0.68 3.16 6.17 -1.00 0.44 115.15 123.22 1x6m h HIS 186 Ca 0.11 0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.27 1x6m h HIS 186 Cb -0.01 0.18 -0.06 0.00 2.52 0.00 0.00 27.41 30.04 1x6m h HIS 186 CO -0.05 -0.24 0.37 0.82 0.71 0.00 0.00 177.93 179.54 1x6m h ILE 187 N -0.30 0.93 -0.24 6.26 2.04 -1.05 -2.02 117.51 123.14 1x6m h ILE 187 Ca 0.03 -0.23 -0.15 0.00 1.00 0.00 0.00 64.86 65.51 1x6m h ILE 187 Cb 0.34 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1x6m h ILE 187 CO -0.11 0.12 -0.48 0.00 0.00 0.00 0.00 178.15 177.68 1x6m h ALA 188 N 1.37 0.71 -0.31 1.87 0.00 -0.59 -1.34 119.26 120.97 1x6m h ALA 188 Ca 0.31 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1x6m h ALA 188 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1x6m h ALA 188 CO -0.21 0.67 0.13 0.87 0.00 0.00 0.00 179.25 180.72 1x6m h LYS 189 N 0.51 0.46 0.00 0.00 1.57 -0.84 -0.81 116.57 117.46 1x6m h LYS 189 Ca 0.03 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1x6m h LYS 189 Cb 1.02 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1x6m h LYS 189 CO 0.10 0.46 -0.05 0.00 -0.57 0.00 0.00 179.45 179.39 1x6m h ARG 190 N 0.36 0.00 0.00 3.15 3.08 -1.16 -3.14 114.38 116.67 1x6m h ARG 190 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1x6m h ARG 190 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1x6m h ARG 190 CO -0.01 0.05 -1.22 -1.13 -1.07 0.00 0.00 179.97 176.59 1x6m n SER 191 N -4.15 0.64 0.00 7.04 3.41 -0.52 -4.98 113.62 115.05 1x6m n SER 191 Ca -0.03 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1x6m n SER 191 Cb 0.14 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.23 1x6m n SER 191 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6m n GLY 192 N 1.41 0.51 0.13 5.00 0.00 -0.84 -4.96 105.19 106.43 1x6m n GLY 192 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1x6m n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6m h ALA 193 N 0.00 0.69 -3.76 4.61 0.00 -1.46 -3.42 119.26 115.93 1x6m h ALA 193 Ca 0.00 -0.58 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 1x6m h ALA 193 Cb 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 17.79 17.40 1x6m h ALA 193 CO 0.00 0.80 -0.83 -0.51 0.00 0.00 0.00 179.25 178.72 1x6m s LEU 194 N -6.84 2.40 -0.11 0.00 1.43 -0.97 -5.01 118.68 109.58 1x6m s LEU 194 Ca 0.01 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 1x6m s LEU 194 Cb 0.10 -1.48 -0.15 0.00 0.03 0.00 0.00 46.19 44.69 1x6m s LEU 194 CO 0.76 0.24 0.90 0.00 0.23 0.00 0.00 176.35 178.47 1x6m n ALA 195 N 3.02 -2.26 1.71 4.21 0.00 -1.26 -4.41 120.51 121.51 1x6m n ALA 195 Ca -0.18 0.42 0.15 0.00 0.00 0.00 0.00 53.44 53.83 1x6m n ALA 195 Cb 0.52 -1.32 0.70 0.00 0.00 0.00 0.00 19.45 19.35 1x6m n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50