#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h6u s SER 7 N 0.00 6.29 0.00 -1.43 0.15 -1.26 -4.87 113.70 112.58 2h6u s SER 7 Ca 0.00 3.02 0.17 0.00 0.70 0.00 0.00 55.95 59.84 2h6u s SER 7 Cb 0.00 -2.67 0.76 0.00 -1.71 0.00 0.00 66.02 62.40 2h6u s SER 7 CO 0.00 -0.90 1.52 -0.81 1.20 0.00 0.00 173.24 174.25 2h6u n PRO 8 N 0.38 0.08 -4.50 5.44 -0.04 -1.26 -4.60 135.00 130.49 2h6u n PRO 8 Ca 0.01 0.19 -0.32 0.00 -0.04 0.00 0.00 63.50 63.34 2h6u n PRO 8 Cb 0.40 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 2h6u n PRO 8 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2h6u s LEU 9 N -2.86 2.03 0.21 1.53 2.96 -1.26 -0.49 118.68 120.81 2h6u s LEU 9 Ca 0.11 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2h6u s LEU 9 Cb 0.11 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 2h6u s LEU 9 CO 0.29 0.05 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.36 2h6u s SER 10 N 0.97 2.11 0.22 3.68 1.04 -0.50 -4.47 113.70 116.76 2h6u s SER 10 Ca -0.04 -1.13 -0.00 0.00 0.48 0.00 0.00 55.95 55.26 2h6u s SER 10 Cb -0.15 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 2h6u s SER 10 CO -0.04 -0.38 0.17 0.28 0.98 0.00 0.00 173.24 174.25 2h6u s THR 11 N -3.25 0.00 -0.30 2.02 -1.32 -1.26 -0.49 115.64 111.04 2h6u s THR 11 Ca 0.25 -1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 58.64 2h6u s THR 11 Cb 0.03 -2.49 0.12 0.00 -1.51 0.00 0.00 72.50 68.66 2h6u s THR 11 CO 0.07 0.00 0.66 -2.28 -2.21 0.00 0.00 174.62 170.86 2h6u s HIS 12 N -4.02 -1.30 -0.22 9.09 2.46 -1.26 -4.17 115.29 115.87 2h6u s HIS 12 Ca 0.39 2.29 -0.08 0.00 0.47 0.00 0.00 55.06 58.12 2h6u s HIS 12 Cb 0.06 0.78 -0.04 0.00 -0.13 0.00 0.00 32.58 33.25 2h6u s HIS 12 CO 0.15 -0.64 0.08 0.08 -2.47 0.00 0.00 174.74 171.94 2h6u s VAL 13 N 2.71 4.72 -0.13 0.89 1.01 0.59 -1.08 120.40 129.11 2h6u s VAL 13 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.88 2h6u s VAL 13 Cb -0.11 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.10 2h6u s VAL 13 CO -0.19 0.39 -0.18 -0.76 0.00 0.00 0.00 175.10 174.36 2h6u s LEU 14 N 0.98 2.40 -0.78 3.92 1.43 0.15 0.02 118.68 126.79 2h6u s LEU 14 Ca 0.05 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 2h6u s LEU 14 Cb -0.14 -1.52 0.06 0.00 0.03 0.00 0.00 46.19 44.62 2h6u s LEU 14 CO 0.03 0.13 1.16 0.21 0.23 0.00 0.00 176.35 178.11 2h6u s ASN 15 N 0.53 6.29 0.00 2.29 3.84 0.31 -0.62 114.94 127.58 2h6u s ASN 15 Ca -0.11 -1.06 0.30 0.00 0.21 0.00 0.00 52.86 52.20 2h6u s ASN 15 Cb -0.16 -2.48 1.39 0.00 -0.55 0.00 0.00 41.25 39.45 2h6u s ASN 15 CO 0.04 -1.52 1.96 2.30 -2.79 0.00 0.00 177.10 177.10 2h6u n ILE 16 N 6.14 0.00 0.06 -5.21 -5.35 -0.29 -0.78 119.36 113.93 2h6u n ILE 16 Ca 0.08 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.45 2h6u n ILE 16 Cb 0.48 -0.24 -0.11 0.00 -1.74 0.00 0.00 39.64 38.03 2h6u n ILE 16 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2h6u h ALA 17 N 3.64 0.36 0.00 -1.28 0.00 -1.90 -3.37 119.26 116.73 2h6u h ALA 17 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2h6u h ALA 17 Cb 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2h6u h ALA 17 CO 0.00 1.24 -0.21 1.04 0.00 0.00 0.00 179.25 181.32 2h6u n GLN 18 N -3.36 5.57 -2.64 0.00 6.02 -1.13 -5.02 117.38 116.83 2h6u n GLN 18 Ca -0.00 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2h6u n GLN 18 Cb 0.93 -0.69 0.02 0.00 1.02 0.00 0.00 30.24 31.52 2h6u n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h6u n GLY 19 N 1.12 -0.04 3.22 1.08 0.00 0.04 -5.04 105.19 105.57 2h6u n GLY 19 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2h6u n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2h6u s VAL 20 N -2.87 1.00 0.55 1.61 -7.23 -1.05 -5.01 120.40 107.40 2h6u s VAL 20 Ca 0.15 -2.02 -0.21 0.00 -1.81 0.00 0.00 61.98 58.09 2h6u s VAL 20 Cb -0.07 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2h6u s VAL 20 CO 0.19 -0.77 1.34 -2.84 -0.31 0.00 0.00 175.10 172.71 2h6u s PRO 21 N -3.78 3.11 -1.05 4.82 0.02 -1.26 -0.53 135.00 136.33 2h6u s PRO 21 Ca 0.16 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 63.15 2h6u s PRO 21 Cb 0.04 -2.22 0.06 0.00 0.02 0.00 0.00 34.50 32.40 2h6u s PRO 21 CO -0.01 -1.20 1.46 0.20 -0.33 0.00 0.00 177.00 177.12 2h6u s GLY 22 N -1.02 1.40 0.34 0.52 0.00 0.10 -4.54 107.32 104.12 2h6u s GLY 22 Ca 0.72 -2.42 -0.20 0.00 0.00 0.00 0.00 44.72 42.83 2h6u s GLY 22 CO 0.46 2.62 0.84 0.00 0.00 0.00 0.00 173.10 177.02 2h6u s ALA 23 N 4.60 3.23 -1.14 3.20 0.00 -1.26 -4.22 121.76 126.16 2h6u s ALA 23 Ca 0.46 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2h6u s ALA 23 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2h6u s ALA 23 CO -0.07 0.24 0.07 0.09 0.00 0.00 0.00 175.76 176.09 2h6u n ASN 24 N -0.10 -4.28 -4.69 0.00 5.03 -0.29 -4.95 115.26 105.98 2h6u n ASN 24 Ca 0.03 -0.04 -0.37 0.00 0.87 0.00 0.00 54.58 55.07 2h6u n ASN 24 Cb 0.53 -3.40 -0.08 0.00 -1.02 0.00 0.00 39.78 35.81 2h6u n ASN 24 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2h6u s MET 25 N -4.79 4.18 0.28 3.52 1.75 -1.26 -4.77 119.30 118.22 2h6u s MET 25 Ca 0.03 0.01 -0.29 0.00 -1.25 0.00 0.00 55.69 54.19 2h6u s MET 25 Cb -0.02 -3.49 -0.10 0.00 2.84 0.00 0.00 34.83 34.07 2h6u s MET 25 CO 0.04 0.12 1.20 0.99 -0.65 0.00 0.00 175.02 176.72 2h6u s THR 26 N 0.86 3.20 -0.02 10.11 2.01 -1.26 -0.97 115.64 129.57 2h6u s THR 26 Ca 0.14 1.17 0.02 0.00 0.31 0.00 0.00 61.69 63.33 2h6u s THR 26 Cb -0.13 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2h6u s THR 26 CO 0.05 0.26 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.53 2h6u s ILE 27 N -0.92 0.68 -0.09 1.82 1.01 -0.12 -1.24 121.20 122.33 2h6u s ILE 27 Ca 0.48 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2h6u s ILE 27 Cb -0.35 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2h6u s ILE 27 CO 0.44 0.22 -0.15 -0.69 0.00 0.00 0.00 174.94 174.77 2h6u s VAL 28 N 0.22 1.39 -0.12 2.92 1.01 -0.44 0.08 120.40 125.47 2h6u s VAL 28 Ca -0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2h6u s VAL 28 Cb -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2h6u s VAL 28 CO 0.00 0.42 -0.01 -0.22 0.00 0.00 0.00 175.10 175.29 2h6u s LEU 29 N 0.79 3.46 0.12 3.92 2.96 0.62 -0.65 118.68 129.89 2h6u s LEU 29 Ca -0.11 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2h6u s LEU 29 Cb -0.16 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2h6u s LEU 29 CO 0.02 0.29 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.24 2h6u s HIS 30 N -0.36 1.18 -0.02 5.38 3.76 -0.05 -0.72 115.29 124.46 2h6u s HIS 30 Ca 0.07 -0.70 0.07 0.00 -0.15 0.00 0.00 55.06 54.34 2h6u s HIS 30 Cb -0.12 -0.62 -0.02 0.00 1.11 0.00 0.00 32.58 32.93 2h6u s HIS 30 CO 0.02 0.04 -0.23 0.50 -0.85 0.00 0.00 174.74 174.23 2h6u s ARG 31 N -3.24 1.90 0.32 1.40 3.52 0.16 -1.18 118.95 121.83 2h6u s ARG 31 Ca 0.11 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 2h6u s ARG 31 Cb -0.00 -1.80 -0.10 0.00 -1.56 0.00 0.00 34.95 31.49 2h6u s ARG 31 CO 0.00 0.46 1.30 -1.17 -0.81 0.00 0.00 175.30 175.09 2h6u s LEU 32 N -0.46 4.43 0.10 -0.88 2.96 0.25 -0.52 118.68 124.56 2h6u s LEU 32 Ca 0.07 2.64 -0.31 0.00 -0.22 0.00 0.00 54.13 56.31 2h6u s LEU 32 Cb -0.09 -3.64 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 2h6u s LEU 32 CO -0.00 -0.51 1.39 -0.62 -1.32 0.00 0.00 176.35 175.28 2h6u s ASP 33 N -0.43 6.83 0.56 3.68 -1.08 -0.34 -4.74 116.67 121.16 2h6u s ASP 33 Ca 0.49 2.29 0.29 0.00 -0.52 0.00 0.00 52.55 55.11 2h6u s ASP 33 Cb -0.39 -2.58 1.66 0.00 -1.46 0.00 0.00 42.92 40.14 2h6u s ASP 33 CO 0.51 -0.66 2.17 1.55 0.52 0.00 0.00 175.17 179.25 2h6u h PRO 34 N 6.98 0.00 0.00 4.34 0.13 -1.93 -3.21 132.00 138.31 2h6u h PRO 34 Ca -0.42 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.35 2h6u h PRO 34 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2h6u h PRO 34 CO 0.87 0.06 -2.29 0.28 -0.23 0.00 0.00 178.00 176.69 2h6u n VAL 35 N -3.70 1.28 -3.25 1.56 0.31 -1.26 -5.05 118.33 108.22 2h6u n VAL 35 Ca -0.02 -0.42 -0.21 0.00 -0.01 0.00 0.00 64.34 63.68 2h6u n VAL 35 Cb 0.16 -1.51 0.03 0.00 -0.91 0.00 0.00 33.84 31.62 2h6u n VAL 35 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2h6u s SER 36 N -6.55 5.06 -0.03 4.52 1.04 -1.21 -5.02 113.70 111.51 2h6u s SER 36 Ca -0.31 -0.88 0.16 0.00 0.48 0.00 0.00 55.95 55.41 2h6u s SER 36 Cb 0.10 0.15 0.51 0.00 0.10 0.00 0.00 66.02 66.88 2h6u s SER 36 CO 0.47 -1.17 1.42 -1.54 0.98 0.00 0.00 173.24 173.40 2h6u n SER 37 N -2.04 3.23 -4.94 7.02 3.41 -1.26 -4.15 113.62 114.88 2h6u n SER 37 Ca 0.10 -2.10 -0.24 0.00 -0.26 0.00 0.00 58.87 56.37 2h6u n SER 37 Cb 0.62 -0.41 0.03 0.00 -0.26 0.00 0.00 64.21 64.19 2h6u n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h6u s ALA 38 N -1.41 3.57 0.00 7.33 0.00 -1.26 -4.89 121.76 125.10 2h6u s ALA 38 Ca 0.38 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2h6u s ALA 38 Cb 0.21 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 2h6u s ALA 38 CO 0.24 -0.77 -0.13 -1.58 0.00 0.00 0.00 175.76 173.52 2h6u s TRP 39 N -2.86 2.71 -0.28 0.00 0.52 -1.26 -1.19 118.94 116.58 2h6u s TRP 39 Ca 0.55 -0.15 -0.13 0.00 0.02 0.00 0.00 56.10 56.38 2h6u s TRP 39 Cb -0.10 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 2h6u s TRP 39 CO 0.41 0.27 0.27 -0.80 0.02 0.00 0.00 176.95 177.12 2h6u s ASN 40 N -1.21 6.12 -0.01 2.95 0.01 0.33 -4.93 114.94 118.20 2h6u s ASN 40 Ca 0.14 0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 52.07 2h6u s ASN 40 Cb -0.11 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.35 2h6u s ASN 40 CO 0.04 -0.12 1.28 -0.63 -1.51 0.00 0.00 177.10 176.17 2h6u s ILE 41 N 1.89 3.96 -0.24 0.60 1.01 -1.26 -0.66 121.20 126.49 2h6u s ILE 41 Ca 0.10 1.34 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 2h6u s ILE 41 Cb -0.16 -3.86 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 2h6u s ILE 41 CO 0.11 0.02 -0.28 0.18 0.00 0.00 0.00 174.94 174.97 2h6u n LEU 42 N 4.98 2.12 -3.66 2.97 4.32 0.11 -4.95 117.00 122.89 2h6u n LEU 42 Ca 0.11 0.17 -0.15 0.00 -0.02 0.00 0.00 56.01 56.12 2h6u n LEU 42 Cb 0.45 -0.75 -0.08 0.00 -1.62 0.00 0.00 43.42 41.42 2h6u n LEU 42 CO 0.57 0.63 0.24 -0.89 -1.22 0.00 0.00 177.39 176.72 2h6u s THR 43 N -2.45 0.01 -0.01 -5.08 2.01 -1.10 -5.01 115.64 104.02 2h6u s THR 43 Ca -0.33 -0.12 0.07 0.00 0.31 0.00 0.00 61.69 61.62 2h6u s THR 43 Cb 0.12 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2h6u s THR 43 CO 0.46 -0.06 -0.22 0.42 -0.69 0.00 0.00 174.62 174.53 2h6u s THR 44 N -0.53 1.76 0.35 -0.82 -4.23 -1.26 -0.28 115.64 110.64 2h6u s THR 44 Ca -0.06 -0.99 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2h6u s THR 44 Cb -0.03 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.34 2h6u s THR 44 CO 0.04 0.46 0.46 -0.83 -0.54 0.00 0.00 174.62 174.21 2h6u s GLY 45 N -0.62 1.67 -0.05 3.99 0.00 0.11 -5.00 107.32 107.41 2h6u s GLY 45 Ca 0.09 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.18 2h6u s GLY 45 CO -0.00 -1.07 -0.04 -0.42 0.00 0.00 0.00 173.10 171.56 2h6u s ILE 46 N -3.01 0.53 0.43 0.90 1.01 -1.26 -0.95 121.20 118.85 2h6u s ILE 46 Ca 0.32 -0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 2h6u s ILE 46 Cb -0.00 -0.58 -0.09 0.00 0.01 0.00 0.00 42.46 41.80 2h6u s ILE 46 CO 0.22 0.24 1.41 0.42 0.00 0.00 0.00 174.94 177.23 2h6u s THR 47 N 1.15 2.19 0.66 2.92 -4.23 -0.14 -4.86 115.64 113.33 2h6u s THR 47 Ca -0.07 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.50 2h6u s THR 47 Cb -0.14 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.75 2h6u s THR 47 CO -0.01 0.03 0.87 -0.46 -0.54 0.00 0.00 174.62 174.50 2h6u n ASN 48 N -0.02 -0.09 0.27 3.99 0.23 -0.23 -1.14 115.26 118.27 2h6u n ASN 48 Ca 0.04 -1.29 0.18 0.00 -0.53 0.00 0.00 54.58 52.98 2h6u n ASN 48 Cb 0.42 -0.67 0.88 0.00 -2.08 0.00 0.00 39.78 38.32 2h6u n ASN 48 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2h6u h ASP 49 N -1.25 0.00 -0.43 0.53 3.32 -1.94 0.12 116.42 116.78 2h6u h ASP 49 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2h6u h ASP 49 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2h6u h ASP 49 CO 0.20 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.05 2h6u n ASP 50 N -3.27 3.09 -0.11 6.45 2.03 -1.26 -4.73 116.55 118.74 2h6u n ASP 50 Ca 0.00 -1.95 -0.01 0.00 0.52 0.00 0.00 54.79 53.35 2h6u n ASP 50 Cb 0.35 -0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 2h6u n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h6u n GLY 51 N 1.43 0.50 3.86 0.27 0.00 0.42 -4.76 105.19 106.92 2h6u n GLY 51 Ca 0.19 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2h6u n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h6u s ARG 52 N -1.06 2.53 -0.42 1.61 0.52 -1.26 -0.30 118.95 120.57 2h6u s ARG 52 Ca 0.00 -1.53 0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2h6u s ARG 52 Cb 0.00 -2.36 0.17 0.00 0.52 0.00 0.00 34.95 33.28 2h6u s ARG 52 CO 0.00 -0.15 0.41 0.00 0.02 0.00 0.00 175.30 175.59 2h6u s PRO 54 N 0.68 2.29 -0.64 0.00 0.02 -1.26 -4.10 135.00 131.99 2h6u s PRO 54 Ca 0.27 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 63.19 2h6u s PRO 54 Cb -0.05 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.65 2h6u s PRO 54 CO -0.10 -1.76 0.38 0.41 -0.33 0.00 0.00 177.00 175.60 2h6u n GLY 55 N 0.70 0.23 0.16 0.52 0.00 -1.26 -4.97 105.19 100.57 2h6u n GLY 55 Ca 0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2h6u n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h6u h LEU 56 N -0.88 0.50 -8.03 0.99 3.38 -1.78 -3.47 115.31 106.01 2h6u h LEU 56 Ca -0.24 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 2h6u h LEU 56 Cb 1.16 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 2h6u h LEU 56 CO 0.25 0.86 -0.33 -0.51 0.09 0.00 0.00 178.44 178.80 2h6u s ILE 57 N -4.35 0.08 0.21 1.22 2.07 -1.26 -4.62 121.20 114.54 2h6u s ILE 57 Ca -0.14 -1.35 0.06 0.00 -1.41 0.00 0.00 60.65 57.82 2h6u s ILE 57 Cb 0.06 -1.76 -0.04 0.00 0.13 0.00 0.00 42.46 40.86 2h6u s ILE 57 CO 0.78 -0.35 0.19 0.42 -1.91 0.00 0.00 174.94 174.06 2h6u s THR 58 N -3.95 4.55 0.35 4.00 -4.23 -1.26 -4.34 115.64 110.76 2h6u s THR 58 Ca 0.15 -1.21 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2h6u s THR 58 Cb 0.04 -3.40 0.30 0.00 1.34 0.00 0.00 72.50 70.77 2h6u s THR 58 CO -0.02 -0.24 1.93 0.50 -0.54 0.00 0.00 174.62 176.25 2h6u h LYS 59 N 1.87 0.77 -0.59 3.99 1.63 -1.93 -0.41 116.57 121.90 2h6u h LYS 59 Ca -0.48 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.18 2h6u h LYS 59 Cb 1.22 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2h6u h LYS 59 CO 0.62 0.51 0.01 0.93 -3.45 0.00 0.00 179.45 178.07 2h6u h GLU 60 N 0.79 1.04 0.00 1.90 5.08 -2.01 -2.74 114.58 118.64 2h6u h GLU 60 Ca 0.36 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2h6u h GLU 60 Cb 0.35 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2h6u h GLU 60 CO -0.13 1.02 -0.26 0.09 -1.00 0.00 0.00 179.01 178.73 2h6u n ASN 61 N -4.21 0.58 -4.30 1.42 3.02 -0.86 -4.60 115.26 106.31 2h6u n ASN 61 Ca 0.03 0.31 -0.43 0.00 -0.03 0.00 0.00 54.58 54.46 2h6u n ASN 61 Cb 0.34 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2h6u n ASN 61 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2h6u n PHE 62 N -1.96 4.31 -3.57 3.10 7.35 -0.22 -4.94 117.46 121.54 2h6u n PHE 62 Ca 0.05 -2.94 -0.20 0.00 -0.76 0.00 0.00 57.45 53.61 2h6u n PHE 62 Cb 0.40 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 37.70 2h6u n PHE 62 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2h6u s ILE 63 N 3.42 4.39 0.25 -2.13 -4.36 -1.26 -4.84 121.20 116.67 2h6u s ILE 63 Ca 0.50 -0.96 -0.31 0.00 -0.26 0.00 0.00 60.65 59.63 2h6u s ILE 63 Cb 0.06 -3.54 -0.13 0.00 1.25 0.00 0.00 42.46 40.10 2h6u s ILE 63 CO 0.02 -0.22 1.35 0.00 0.24 0.00 0.00 174.94 176.34 2h6u n ALA 64 N -1.61 0.91 0.00 2.27 0.00 -1.26 -4.90 120.51 115.92 2h6u n ALA 64 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2h6u n ALA 64 Cb 0.58 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2h6u n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h6u n GLY 65 N 1.92 -1.61 3.73 0.00 0.00 -0.53 -5.01 105.19 103.68 2h6u n GLY 65 Ca 0.11 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 2h6u n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h6u s VAL 66 N -2.84 5.36 0.27 1.61 1.01 -1.26 -1.02 120.40 123.53 2h6u s VAL 66 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 61.98 62.47 2h6u s VAL 66 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2h6u s VAL 66 CO 0.00 0.41 -0.13 -0.31 0.00 0.00 0.00 175.10 175.07 2h6u s TYR 67 N 0.43 2.44 -0.06 5.22 2.02 -0.07 -0.59 117.35 126.75 2h6u s TYR 67 Ca 0.12 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.51 2h6u s TYR 67 Cb -0.12 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 2h6u s TYR 67 CO 0.01 0.68 0.10 0.21 -1.57 0.00 0.00 175.55 174.98 2h6u s LYS 68 N -3.55 -0.01 -0.22 -0.62 2.20 -0.32 -1.31 119.74 115.91 2h6u s LYS 68 Ca 0.30 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.28 2h6u s LYS 68 Cb -0.06 -0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 35.92 2h6u s LYS 68 CO 0.17 -0.27 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.22 2h6u s MET 69 N 1.87 3.45 -0.19 4.03 -1.94 -0.14 -0.87 119.30 125.51 2h6u s MET 69 Ca -0.00 -0.59 -0.08 0.00 -1.71 0.00 0.00 55.69 53.31 2h6u s MET 69 Cb -0.12 -3.04 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 2h6u s MET 69 CO -0.04 -0.14 0.08 0.50 -0.01 0.00 0.00 175.02 175.41 2h6u s ARG 70 N 1.35 4.01 -0.20 2.03 3.52 0.18 -0.62 118.95 129.23 2h6u s ARG 70 Ca 0.04 -0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2h6u s ARG 70 Cb -0.14 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 2h6u s ARG 70 CO -0.01 0.25 0.04 -0.06 -0.81 0.00 0.00 175.30 174.71 2h6u s PHE 71 N 0.44 3.13 -1.31 5.12 0.08 0.65 -1.33 117.98 124.75 2h6u s PHE 71 Ca 0.04 -0.20 -0.10 0.00 0.12 0.00 0.00 56.93 56.79 2h6u s PHE 71 Cb -0.12 -2.10 0.15 0.00 -0.57 0.00 0.00 43.02 40.37 2h6u s PHE 71 CO 0.00 -0.08 1.96 0.39 -0.10 0.00 0.00 175.22 177.39 2h6u n GLU 72 N 4.03 3.56 -0.23 0.44 -0.58 -0.38 -1.27 120.64 126.21 2h6u n GLU 72 Ca -0.17 -3.38 -0.08 0.00 -0.42 0.00 0.00 57.16 53.11 2h6u n GLU 72 Cb 0.52 -2.96 0.03 0.00 -0.57 0.00 0.00 31.44 28.46 2h6u n GLU 72 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2h6u h THR 73 N 3.72 1.25 -0.25 2.62 1.35 -1.84 -1.83 112.91 117.93 2h6u h THR 73 Ca 0.44 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2h6u h THR 73 Cb 0.61 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 2h6u h THR 73 CO 1.66 0.34 0.16 1.23 -0.25 0.00 0.00 175.52 178.66 2h6u h GLY 74 N 0.92 0.36 0.99 5.82 0.00 -1.17 -0.73 103.07 109.26 2h6u h GLY 74 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2h6u h GLY 74 CO -0.00 0.14 0.28 0.50 0.00 0.00 0.00 176.54 177.46 2h6u h LYS 75 N 0.33 0.80 0.14 4.80 1.57 -1.72 0.01 116.57 122.49 2h6u h LYS 75 Ca 0.09 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2h6u h LYS 75 Cb -0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.10 2h6u h LYS 75 CO -0.02 0.64 -0.41 -0.92 -0.57 0.00 0.00 179.45 178.17 2h6u h TYR 76 N 0.75 -1.14 -0.51 -1.35 3.20 -0.93 -0.77 116.97 116.22 2h6u h TYR 76 Ca 0.19 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 2h6u h TYR 76 Cb 0.09 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2h6u h TYR 76 CO -0.01 -0.51 0.17 -1.49 -1.64 0.00 0.00 178.16 174.69 2h6u h TRP 77 N -0.65 0.80 -0.76 -3.82 4.06 -1.02 -2.68 115.95 111.88 2h6u h TRP 77 Ca 0.02 -0.07 0.16 0.00 2.06 0.00 0.00 58.89 61.06 2h6u h TRP 77 Cb 0.67 -0.23 -0.11 0.00 -1.00 0.00 0.00 29.16 28.49 2h6u h TRP 77 CO -0.35 0.68 0.22 0.22 -3.56 0.00 0.00 178.44 175.66 2h6u h ASP 78 N 0.69 0.10 0.26 -3.49 3.58 -0.48 0.70 116.42 117.76 2h6u h ASP 78 Ca 0.17 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2h6u h ASP 78 Cb 0.25 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2h6u h ASP 78 CO -0.01 -0.01 -0.02 0.00 -2.88 0.00 0.00 179.24 176.32 2h6u h ALA 79 N 1.61 1.12 -0.01 -0.78 0.00 -0.80 -0.69 119.26 119.70 2h6u h ALA 79 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2h6u h ALA 79 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2h6u h ALA 79 CO -0.49 0.03 -0.21 1.28 0.00 0.00 0.00 179.25 179.85 2h6u n LEU 80 N -3.28 1.57 0.00 0.00 4.77 0.17 -4.96 117.00 115.28 2h6u n LEU 80 Ca -0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 2h6u n LEU 80 Cb 0.15 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2h6u n LEU 80 CO 0.24 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2h6u n GLY 81 N 1.32 0.83 3.03 -0.72 0.00 -0.27 -5.08 105.19 104.31 2h6u n GLY 81 Ca 0.13 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2h6u n GLY 81 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h6u s GLU 82 N -2.22 0.42 0.66 1.61 2.02 -0.81 -5.00 118.70 115.38 2h6u s GLU 82 Ca 0.00 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.21 2h6u s GLU 82 Cb 0.00 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.38 2h6u s GLU 82 CO 0.00 -0.08 1.06 -0.08 0.02 0.00 0.00 175.26 176.17 2h6u s THR 83 N -1.90 3.97 0.02 3.63 -1.32 -1.26 -2.17 115.64 116.60 2h6u s THR 83 Ca -0.11 0.60 0.05 0.00 -1.21 0.00 0.00 61.69 61.01 2h6u s THR 83 Cb -0.06 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 2h6u s THR 83 CO -0.02 -0.82 -0.14 0.00 -2.21 0.00 0.00 174.62 171.43 2h6u h PHE 85 N 5.26 0.08 -3.58 0.00 3.57 -1.23 -3.41 116.94 117.63 2h6u h PHE 85 Ca -0.37 -0.01 -0.66 0.00 3.53 0.00 0.00 57.97 60.46 2h6u h PHE 85 Cb 1.17 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 39.64 2h6u h PHE 85 CO 0.48 0.27 -0.64 0.71 -2.23 0.00 0.00 178.31 176.89 2h6u s TYR 86 N -4.61 3.08 0.38 0.41 2.02 -1.26 -4.98 117.35 112.39 2h6u s TYR 86 Ca -0.04 -0.76 0.09 0.00 -0.37 0.00 0.00 57.07 55.99 2h6u s TYR 86 Cb 0.15 -2.22 0.74 0.00 -0.40 0.00 0.00 41.96 40.24 2h6u s TYR 86 CO 0.71 -0.49 1.89 -1.00 -1.57 0.00 0.00 175.55 175.10 2h6u h PRO 87 N 8.21 0.25 -3.12 -1.71 0.13 -1.96 -3.22 132.00 130.59 2h6u h PRO 87 Ca -0.36 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2h6u h PRO 87 Cb 1.15 -0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 2h6u h PRO 87 CO 0.59 0.41 0.16 1.52 -0.23 0.00 0.00 178.00 180.45 2h6u s TYR 88 N -4.68 -0.21 -0.08 1.56 1.13 -1.26 -1.21 117.35 112.59 2h6u s TYR 88 Ca -0.05 -0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.46 2h6u s TYR 88 Cb 0.15 0.57 0.02 0.00 -1.10 0.00 0.00 41.96 41.60 2h6u s TYR 88 CO 0.74 -1.06 -0.10 0.08 -2.51 0.00 0.00 175.55 172.69 2h6u s VAL 89 N -3.88 1.06 -0.16 -3.49 1.01 -0.39 -4.89 120.40 109.67 2h6u s VAL 89 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2h6u s VAL 89 Cb -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 2h6u s VAL 89 CO 0.01 0.35 -0.11 -1.61 0.00 0.00 0.00 175.10 173.73 2h6u s GLU 90 N 1.00 3.34 -0.24 2.72 2.02 -1.26 -0.26 118.70 126.02 2h6u s GLU 90 Ca -0.08 -0.69 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2h6u s GLU 90 Cb -0.15 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 2h6u s GLU 90 CO -0.00 0.06 0.08 0.42 0.02 0.00 0.00 175.26 175.84 2h6u s ILE 91 N 0.75 4.51 -0.16 -1.63 1.01 0.21 -4.94 121.20 120.95 2h6u s ILE 91 Ca -0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2h6u s ILE 91 Cb -0.15 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2h6u s ILE 91 CO 0.01 0.35 -0.04 -0.69 0.00 0.00 0.00 174.94 174.58 2h6u s VAL 92 N 1.36 3.82 -0.01 2.92 1.01 -1.26 -0.96 120.40 127.28 2h6u s VAL 92 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2h6u s VAL 92 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.56 2h6u s VAL 92 CO 0.04 0.48 0.12 0.72 0.00 0.00 0.00 175.10 176.47 2h6u s PHE 93 N 0.49 0.01 -0.17 5.22 -0.71 -0.43 -4.98 117.98 117.41 2h6u s PHE 93 Ca -0.04 -0.03 -0.15 0.00 -1.04 0.00 0.00 56.93 55.68 2h6u s PHE 93 Cb -0.14 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 2h6u s PHE 93 CO 0.03 -0.22 0.34 0.99 -1.34 0.00 0.00 175.22 175.02 2h6u s THR 94 N -0.97 5.26 -0.23 -4.49 2.01 -1.26 -0.89 115.64 115.06 2h6u s THR 94 Ca -0.11 0.63 -0.06 0.00 0.31 0.00 0.00 61.69 62.47 2h6u s THR 94 Cb -0.06 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 2h6u s THR 94 CO 0.01 0.34 0.03 -0.63 -0.69 0.00 0.00 174.62 173.68 2h6u s ILE 95 N 0.75 4.01 0.00 1.82 -1.09 -0.19 -4.94 121.20 121.57 2h6u s ILE 95 Ca 0.18 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2h6u s ILE 95 Cb -0.14 -2.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 2h6u s ILE 95 CO 0.06 0.38 0.00 0.35 -1.23 0.00 0.00 174.94 174.49 2h6u n THR 96 N 4.78 0.00 -3.74 2.92 -2.24 -1.26 -1.45 114.28 113.28 2h6u n THR 96 Ca -0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 2h6u n THR 96 Cb 0.51 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 68.07 2h6u n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2h6u s ASN 97 N -2.68 5.27 0.00 3.42 3.84 -1.26 -4.87 114.94 118.65 2h6u s ASN 97 Ca 0.00 -2.40 0.22 0.00 0.21 0.00 0.00 52.86 50.89 2h6u s ASN 97 Cb 0.00 -1.85 1.21 0.00 -0.55 0.00 0.00 41.25 40.06 2h6u s ASN 97 CO 0.00 -0.47 1.70 1.07 -2.79 0.00 0.00 177.10 176.60 2h6u n THR 98 N 4.10 0.16 1.35 -5.21 5.66 -1.26 -3.23 114.28 115.85 2h6u n THR 98 Ca 0.02 0.04 0.14 0.00 -3.05 0.00 0.00 64.05 61.20 2h6u n THR 98 Cb 0.40 -0.69 0.57 0.00 -1.55 0.00 0.00 70.33 69.05 2h6u n THR 98 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2h6u n SER 99 N -1.14 0.51 -4.98 1.09 3.41 -1.26 -4.89 113.62 106.36 2h6u n SER 99 Ca 0.14 -0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 58.02 2h6u n SER 99 Cb 0.12 -0.06 -0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2h6u n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2h6u s GLN 100 N -2.53 2.92 0.06 4.33 -0.21 -1.20 -5.11 119.66 117.92 2h6u s GLN 100 Ca 0.27 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.32 2h6u s GLN 100 Cb 0.20 -2.73 -0.06 0.00 1.00 0.00 0.00 33.01 31.42 2h6u s GLN 100 CO 0.49 -0.09 0.49 -1.58 -2.12 0.00 0.00 175.29 172.49 2h6u s HIS 101 N -2.28 3.72 -0.11 0.91 5.65 -1.26 -4.92 115.29 116.99 2h6u s HIS 101 Ca 0.49 1.09 0.02 0.00 0.25 0.00 0.00 55.06 56.91 2h6u s HIS 101 Cb -0.09 -2.37 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 2h6u s HIS 101 CO 0.31 0.57 -0.16 0.71 -0.65 0.00 0.00 174.74 175.52 2h6u s TYR 102 N -1.20 2.08 -0.15 3.88 2.02 0.35 -4.61 117.35 119.72 2h6u s TYR 102 Ca 0.29 -0.99 -0.01 0.00 -0.37 0.00 0.00 57.07 56.00 2h6u s TYR 102 Cb -0.17 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2h6u s TYR 102 CO 0.17 -0.50 -0.11 -1.58 -1.57 0.00 0.00 175.55 171.96 2h6u s HIS 103 N 0.96 2.85 -0.50 2.71 5.65 -0.62 -1.41 115.29 124.94 2h6u s HIS 103 Ca -0.07 -0.72 0.04 0.00 0.25 0.00 0.00 55.06 54.56 2h6u s HIS 103 Cb -0.15 -1.90 0.16 0.00 -1.18 0.00 0.00 32.58 29.51 2h6u s HIS 103 CO -0.02 -0.29 0.36 0.08 -0.65 0.00 0.00 174.74 174.22 2h6u s VAL 104 N 0.60 1.25 0.65 0.89 1.01 0.36 -0.86 120.40 124.30 2h6u s VAL 104 Ca -0.07 -3.04 -0.06 0.00 0.00 0.00 0.00 61.98 58.82 2h6u s VAL 104 Cb -0.15 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2h6u s VAL 104 CO 0.03 -1.09 0.96 -2.16 0.00 0.00 0.00 175.10 172.84 2h6u s PRO 105 N -0.25 2.51 -0.09 2.72 0.04 -1.26 -4.24 135.00 134.43 2h6u s PRO 105 Ca 0.27 -0.16 -0.01 0.00 0.04 0.00 0.00 61.00 61.14 2h6u s PRO 105 Cb -0.06 -2.22 0.03 0.00 0.04 0.00 0.00 34.50 32.29 2h6u s PRO 105 CO -0.14 -1.00 -0.04 -1.17 0.04 0.00 0.00 177.00 174.70 2h6u s LEU 106 N -5.13 0.87 -0.32 -3.56 2.96 -0.24 -4.37 118.68 108.90 2h6u s LEU 106 Ca 0.57 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.19 2h6u s LEU 106 Cb -0.11 -0.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.95 2h6u s LEU 106 CO 0.45 -0.16 0.17 -0.76 -1.32 0.00 0.00 176.35 174.73 2h6u s LEU 107 N 1.85 4.24 -0.02 -0.68 1.02 -0.28 -0.68 118.68 124.12 2h6u s LEU 107 Ca 0.05 -0.56 0.04 0.00 0.02 0.00 0.00 54.13 53.69 2h6u s LEU 107 Cb -0.12 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.05 2h6u s LEU 107 CO -0.07 -0.22 -0.15 -0.22 0.02 0.00 0.00 176.35 175.71 2h6u s LEU 108 N 1.62 1.97 0.00 1.79 2.96 0.20 -0.91 118.68 126.33 2h6u s LEU 108 Ca 0.05 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2h6u s LEU 108 Cb -0.17 -0.82 -0.00 0.00 0.50 0.00 0.00 46.19 45.70 2h6u s LEU 108 CO 0.07 0.17 0.03 -1.54 -1.32 0.00 0.00 176.35 173.76 2h6u n SER 109 N 2.87 2.11 0.26 3.68 3.41 -0.06 -1.14 113.62 124.75 2h6u n SER 109 Ca -0.16 -2.12 0.08 0.00 -0.26 0.00 0.00 58.87 56.42 2h6u n SER 109 Cb 0.54 0.31 0.63 0.00 -0.26 0.00 0.00 64.21 65.43 2h6u n SER 109 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2h6u h ARG 110 N 0.00 0.00 0.00 4.33 3.08 -2.00 -3.31 114.38 116.47 2h6u h ARG 110 Ca -0.19 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 2h6u h ARG 110 Cb 0.63 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.56 2h6u h ARG 110 CO 0.32 0.02 -0.58 1.19 -1.07 0.00 0.00 179.97 179.85 2h6u n PHE 111 N -4.50 0.00 -3.53 3.04 3.72 -1.26 -0.65 117.46 114.28 2h6u n PHE 111 Ca -0.03 -0.71 -0.10 0.00 -0.05 0.00 0.00 57.45 56.56 2h6u n PHE 111 Cb 0.11 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 2h6u n PHE 111 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2h6u s SER 112 N -2.21 -0.39 0.05 4.37 1.04 -1.25 -5.04 113.70 110.27 2h6u s SER 112 Ca 0.26 0.21 -0.19 0.00 0.48 0.00 0.00 55.95 56.70 2h6u s SER 112 Cb 0.27 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.80 2h6u s SER 112 CO -0.07 -0.52 0.45 -0.72 0.98 0.00 0.00 173.24 173.37 2h6u s TYR 113 N -2.23 -0.32 0.04 5.02 1.13 -1.26 -0.89 117.35 118.84 2h6u s TYR 113 Ca 0.01 0.29 -0.01 0.00 -1.41 0.00 0.00 57.07 55.95 2h6u s TYR 113 Cb -0.01 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 2h6u s TYR 113 CO -0.04 -0.61 -0.03 -1.54 -2.51 0.00 0.00 175.55 170.83 2h6u s SER 114 N -2.06 0.39 0.10 -0.18 1.04 -0.08 -4.98 113.70 107.93 2h6u s SER 114 Ca -0.05 -0.80 -0.06 0.00 0.48 0.00 0.00 55.95 55.52 2h6u s SER 114 Cb -0.01 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2h6u s SER 114 CO -0.03 -0.48 0.14 0.28 0.98 0.00 0.00 173.24 174.13 2h6u s THR 115 N -2.94 0.14 0.14 2.02 -1.32 -1.26 -1.13 115.64 111.29 2h6u s THR 115 Ca -0.02 -1.47 -0.14 0.00 -1.21 0.00 0.00 61.69 58.85 2h6u s THR 115 Cb 0.01 -1.59 0.02 0.00 -1.51 0.00 0.00 72.50 69.43 2h6u s THR 115 CO -0.06 -0.63 0.37 -0.72 -2.21 0.00 0.00 174.62 171.37 2h6u s TYR 116 N -3.92 -0.01 -0.29 9.09 1.13 -1.26 -5.06 117.35 117.03 2h6u s TYR 116 Ca 0.11 -0.34 -0.24 0.00 -1.41 0.00 0.00 57.07 55.18 2h6u s TYR 116 Cb 0.06 0.17 -0.00 0.00 -1.10 0.00 0.00 41.96 41.09 2h6u s TYR 116 CO -0.07 -0.72 0.82 0.50 -2.51 0.00 0.00 175.55 173.57 2h6u s ARG 117 N -3.86 4.04 0.55 -3.49 3.52 -1.26 -4.19 118.95 114.26 2h6u s ARG 117 Ca 0.07 0.73 0.04 0.00 -0.13 0.00 0.00 55.73 56.45 2h6u s ARG 117 Cb 0.02 -3.70 0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2h6u s ARG 117 CO -0.08 -0.64 0.37 0.41 -0.81 0.00 0.00 175.30 174.56 2h6u n GLY 118 N 4.03 2.83 0.00 8.12 0.00 -0.04 -4.94 105.19 115.19 2h6u n GLY 118 Ca 0.05 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2h6u n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06