#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m s SER 2 N 0.00 -0.17 0.56 1.61 1.04 -1.26 -5.15 113.70 110.34 1x5m s SER 2 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1x5m s SER 2 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1x5m s SER 2 CO 0.00 -1.22 0.00 -1.20 0.98 0.00 0.00 173.24 171.80 1x5m n SER 3 N -0.67 -7.59 0.00 7.02 7.64 -1.26 -5.05 113.62 113.70 1x5m n SER 3 Ca -0.05 1.58 0.00 0.00 1.01 0.00 0.00 58.87 61.41 1x5m n SER 3 Cb 0.60 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 1x5m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 4 N -3.22 -1.18 2.20 0.23 0.00 -1.26 -5.13 105.19 96.83 1x5m n GLY 4 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1x5m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5m n SER 5 N 0.00 -9.32 -3.64 1.61 2.88 -1.26 -5.08 113.62 98.81 1x5m n SER 5 Ca 0.00 1.58 -0.00 0.00 -1.33 0.00 0.00 58.87 59.12 1x5m n SER 5 Cb 0.00 -5.20 -0.06 0.00 -0.75 0.00 0.00 64.21 58.20 1x5m n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5m s SER 6 N -0.56 -0.30 -0.30 -3.46 0.01 -1.26 -5.16 113.70 102.67 1x5m s SER 6 Ca 0.00 0.48 -0.19 0.00 1.31 0.00 0.00 55.95 57.55 1x5m s SER 6 Cb 0.00 1.13 0.19 0.00 0.21 0.00 0.00 66.02 67.55 1x5m s SER 6 CO 0.00 -0.08 1.26 -0.83 0.41 0.00 0.00 173.24 174.00 1x5m s GLY 7 N 1.23 0.14 -0.03 3.44 0.00 -1.26 -5.16 107.32 105.68 1x5m s GLY 7 Ca -0.08 3.47 -0.00 0.00 0.00 0.00 0.00 44.72 48.10 1x5m s GLY 7 CO -0.13 3.58 0.02 0.54 0.00 0.00 0.00 173.10 177.12 1x5m s VAL 8 N 2.38 4.38 -0.02 1.40 0.11 -1.26 -5.11 120.40 122.27 1x5m s VAL 8 Ca -0.03 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1x5m s VAL 8 Cb -0.03 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.88 1x5m s VAL 8 CO -0.13 0.46 -0.22 0.54 -3.33 0.00 0.00 175.10 172.42 1x5m s VAL 9 N -1.04 1.73 -0.18 2.04 0.11 -1.26 -5.12 120.40 116.68 1x5m s VAL 9 Ca 0.18 -0.93 -0.16 0.00 -2.93 0.00 0.00 61.98 58.14 1x5m s VAL 9 Cb -0.12 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1x5m s VAL 9 CO 0.08 0.49 0.38 0.00 -3.33 0.00 0.00 175.10 172.72 1x5m s ALA 10 N -0.45 3.55 -0.25 1.54 0.00 -1.26 -5.03 121.76 119.86 1x5m s ALA 10 Ca 0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1x5m s ALA 10 Cb -0.09 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 1x5m s ALA 10 CO -0.00 -0.17 1.33 -1.25 0.00 0.00 0.00 175.76 175.67 1x5m s PRO 11 N 1.02 4.00 0.65 0.00 0.04 -1.26 -4.99 135.00 134.46 1x5m s PRO 11 Ca 0.19 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.49 1x5m s PRO 11 Cb -0.14 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.53 1x5m s PRO 11 CO 0.07 -1.01 1.18 0.96 0.04 0.00 0.00 177.00 178.25 1x5m s ILE 12 N 4.19 2.68 -0.12 0.56 -4.36 -1.26 -5.02 121.20 117.87 1x5m s ILE 12 Ca 0.58 0.37 0.00 0.00 -0.26 0.00 0.00 60.65 61.33 1x5m s ILE 12 Cb -0.19 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.49 1x5m s ILE 12 CO 0.21 -0.14 -0.12 0.42 0.24 0.00 0.00 174.94 175.55 1x5m s THR 13 N -1.89 3.18 -0.19 8.37 -4.23 -1.26 -5.05 115.64 114.56 1x5m s THR 13 Ca 0.74 -0.63 -0.32 0.00 -1.18 0.00 0.00 61.69 60.30 1x5m s THR 13 Cb -0.27 -2.33 -0.15 0.00 1.34 0.00 0.00 72.50 71.09 1x5m s THR 13 CO 0.39 0.53 1.00 1.07 -0.54 0.00 0.00 174.62 177.07 1x5m n THR 14 N 3.29 0.00 -3.71 3.99 5.66 -1.26 -4.92 114.28 117.33 1x5m n THR 14 Ca -0.18 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.58 1x5m n THR 14 Cb 0.53 -0.19 -0.17 0.00 -1.55 0.00 0.00 70.33 68.94 1x5m n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x5m s GLY 15 N 1.16 0.44 0.22 1.09 0.00 -1.26 -5.14 107.32 103.83 1x5m s GLY 15 Ca 0.73 -0.20 0.06 0.00 0.00 0.00 0.00 44.72 45.30 1x5m s GLY 15 CO 0.52 1.36 0.24 -2.52 0.00 0.00 0.00 173.10 172.70 1x5m s TYR 16 N 2.02 3.25 0.03 1.90 -0.85 -1.26 -5.13 117.35 117.32 1x5m s TYR 16 Ca 0.03 -0.04 0.02 0.00 -0.52 0.00 0.00 57.07 56.56 1x5m s TYR 16 Cb -0.14 -1.50 -0.02 0.00 0.38 0.00 0.00 41.96 40.69 1x5m s TYR 16 CO -0.06 0.50 -0.07 0.99 -1.52 0.00 0.00 175.55 175.39 1x5m s THR 17 N -1.98 0.52 0.55 -3.49 2.01 -1.26 -4.53 115.64 107.45 1x5m s THR 17 Ca 0.33 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 61.31 1x5m s THR 17 Cb -0.09 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 1x5m s THR 17 CO 0.26 -0.25 1.01 -0.69 -0.69 0.00 0.00 174.62 174.27 1x5m s VAL 18 N -1.04 4.26 -0.29 3.82 1.01 0.51 -4.77 120.40 123.90 1x5m s VAL 18 Ca -0.07 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 1x5m s VAL 18 Cb -0.08 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1x5m s VAL 18 CO 0.00 -0.63 0.09 -0.75 0.00 0.00 0.00 175.10 173.82 1x5m s LYS 19 N -4.09 3.25 -0.67 2.72 2.20 -1.26 0.18 119.74 122.08 1x5m s LYS 19 Ca 0.61 -0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 55.19 1x5m s LYS 19 Cb -0.12 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1x5m s LYS 19 CO 0.34 -0.39 1.55 0.42 -0.36 0.00 0.00 175.35 176.91 1x5m s ILE 20 N 1.54 3.56 -0.15 5.43 1.01 -0.43 -4.81 121.20 127.35 1x5m s ILE 20 Ca 0.04 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1x5m s ILE 20 Cb -0.17 -4.45 -0.12 0.00 0.01 0.00 0.00 42.46 37.74 1x5m s ILE 20 CO 0.03 -1.38 0.16 0.28 0.00 0.00 0.00 174.94 174.02 1x5m h SER 21 N 12.29 0.00 -3.39 3.58 0.02 -1.96 -3.45 113.55 120.64 1x5m h SER 21 Ca -0.27 -0.34 -0.60 0.00 -0.84 0.00 0.00 61.79 59.74 1x5m h SER 21 Cb 1.10 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 1x5m h SER 21 CO 1.24 0.97 0.30 0.21 -1.14 0.00 0.00 176.83 178.42 1x5m s ASN 22 N -6.13 6.70 -0.13 3.07 3.84 -1.26 -5.03 114.94 116.00 1x5m s ASN 22 Ca -0.17 0.87 -0.11 0.00 0.21 0.00 0.00 52.86 53.66 1x5m s ASN 22 Cb 0.02 -2.38 0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1x5m s ASN 22 CO 0.38 -0.43 0.34 -0.72 -2.79 0.00 0.00 177.10 173.87 1x5m s TYR 23 N 2.61 -0.40 0.04 0.43 -0.85 -1.26 -4.76 117.35 113.17 1x5m s TYR 23 Ca 0.30 0.95 -0.23 0.00 -0.52 0.00 0.00 57.07 57.58 1x5m s TYR 23 Cb -0.15 0.14 -0.06 0.00 0.38 0.00 0.00 41.96 42.27 1x5m s TYR 23 CO 0.08 -0.21 0.68 0.20 -1.52 0.00 0.00 175.55 174.78 1x5m s GLY 24 N 0.50 2.72 0.03 5.49 0.00 -0.74 -4.98 107.32 110.35 1x5m s GLY 24 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1x5m s GLY 24 CO -0.03 0.87 -0.04 0.66 0.00 0.00 0.00 173.10 174.56 1x5m s TRP 25 N -0.35 0.40 0.26 1.90 1.48 -1.26 0.16 118.94 121.53 1x5m s TRP 25 Ca 0.34 -0.63 0.06 0.00 -1.06 0.00 0.00 56.10 54.81 1x5m s TRP 25 Cb -0.20 -0.27 -0.02 0.00 -1.16 0.00 0.00 33.47 31.82 1x5m s TRP 25 CO 0.21 -0.20 0.20 -0.25 -4.06 0.00 0.00 176.95 172.85 1x5m n ASP 26 N 1.27 -0.33 -3.64 -2.66 9.92 -0.56 -4.91 116.55 115.64 1x5m n ASP 26 Ca -0.22 -2.68 -0.09 0.00 -0.53 0.00 0.00 54.79 51.27 1x5m n ASP 26 Cb 0.56 1.22 -0.07 0.00 -0.64 0.00 0.00 41.12 42.20 1x5m n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5m s GLN 27 N -3.06 0.65 -0.03 -1.24 -2.07 -1.26 -3.68 119.66 108.97 1x5m s GLN 27 Ca 0.29 0.89 -0.01 0.00 -1.82 0.00 0.00 55.36 54.71 1x5m s GLN 27 Cb 0.01 0.26 0.03 0.00 -1.09 0.00 0.00 33.01 32.22 1x5m s GLN 27 CO 0.20 -0.10 0.06 0.45 -1.32 0.00 0.00 175.29 174.59 1x5m s SER 28 N 0.75 0.16 -0.98 12.60 0.15 -1.09 -5.05 113.70 120.23 1x5m s SER 28 Ca -0.03 0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.60 1x5m s SER 28 Cb -0.05 -0.02 -0.31 0.00 -1.71 0.00 0.00 66.02 63.93 1x5m s SER 28 CO -0.08 -0.15 2.23 0.47 1.20 0.00 0.00 173.24 176.92 1x5m n ASP 29 N 4.33 -1.02 0.00 5.45 8.00 -1.26 -0.92 116.55 131.13 1x5m n ASP 29 Ca -0.25 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1x5m n ASP 29 Cb 0.50 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5m n LYS 30 N 6.10 0.00 -3.79 -1.24 4.76 -1.26 -4.65 118.16 118.07 1x5m n LYS 30 Ca 0.66 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 56.01 1x5m n LYS 30 Cb 0.15 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.31 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1x5m s PHE 31 N 0.00 -0.08 -0.06 2.13 0.08 -0.10 -4.20 117.98 115.75 1x5m s PHE 31 Ca 0.00 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.78 1x5m s PHE 31 Cb 0.00 0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 42.87 1x5m s PHE 31 CO 0.00 -1.01 -0.10 0.08 -0.10 0.00 0.00 175.22 174.09 1x5m s VAL 32 N -3.90 3.44 -0.01 -0.44 1.01 0.03 -2.68 120.40 117.84 1x5m s VAL 32 Ca 0.11 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1x5m s VAL 32 Cb -0.02 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1x5m s VAL 32 CO 0.01 0.60 0.16 -0.75 0.00 0.00 0.00 175.10 175.11 1x5m s LYS 33 N -0.77 0.45 0.11 2.72 2.20 -1.24 0.17 119.74 123.38 1x5m s LYS 33 Ca 0.12 -0.28 0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1x5m s LYS 33 Cb -0.11 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1x5m s LYS 33 CO 0.01 -0.11 -0.25 0.42 -0.36 0.00 0.00 175.35 175.07 1x5m s ILE 34 N -1.14 2.05 -0.27 5.43 1.09 -0.82 -1.50 121.20 126.03 1x5m s ILE 34 Ca -0.12 -1.63 -0.02 0.00 -1.10 0.00 0.00 60.65 57.78 1x5m s ILE 34 Cb -0.06 -1.82 0.09 0.00 -1.06 0.00 0.00 42.46 39.60 1x5m s ILE 34 CO 0.02 0.07 0.08 -0.31 -0.10 0.00 0.00 174.94 174.69 1x5m s TYR 35 N -1.06 1.36 0.01 3.97 1.51 0.42 -1.82 117.35 121.75 1x5m s TYR 35 Ca 0.11 -1.36 -0.04 0.00 -1.01 0.00 0.00 57.07 54.77 1x5m s TYR 35 Cb -0.10 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1x5m s TYR 35 CO 0.05 -0.78 0.23 0.42 -1.11 0.00 0.00 175.55 174.35 1x5m s ILE 36 N 1.74 5.37 -0.58 2.71 1.09 -0.87 -1.79 121.20 128.88 1x5m s ILE 36 Ca 0.06 -0.06 -0.20 0.00 -1.10 0.00 0.00 60.65 59.35 1x5m s ILE 36 Cb -0.17 -3.56 0.08 0.00 -1.06 0.00 0.00 42.46 37.75 1x5m s ILE 36 CO -0.20 0.30 0.73 -0.89 -0.10 0.00 0.00 174.94 174.78 1x5m s THR 37 N -1.36 4.74 -0.25 2.92 2.01 -1.26 -1.85 115.64 120.60 1x5m s THR 37 Ca 0.29 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1x5m s THR 37 Cb -0.13 -4.47 0.08 0.00 0.01 0.00 0.00 72.50 67.99 1x5m s THR 37 CO 0.19 -1.09 0.08 -0.22 -0.69 0.00 0.00 174.62 172.89 1x5m s LEU 38 N 2.93 1.29 -0.62 4.42 1.98 -0.12 -4.96 118.68 123.58 1x5m s LEU 38 Ca 0.15 -1.15 -0.28 0.00 -2.89 0.00 0.00 54.13 49.96 1x5m s LEU 38 Cb -0.21 -0.59 0.03 0.00 0.66 0.00 0.00 46.19 46.07 1x5m s LEU 38 CO 0.09 -0.37 1.24 -0.89 -1.89 0.00 0.00 176.35 174.53 1x5m s THR 39 N 1.86 3.90 0.00 3.68 2.01 -1.23 -2.47 115.64 123.40 1x5m s THR 39 Ca 0.05 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1x5m s THR 39 Cb -0.17 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 67.59 1x5m s THR 39 CO -0.19 -1.47 0.00 0.61 -0.69 0.00 0.00 174.62 172.88 1x5m n GLY 40 N 5.18 1.11 0.27 4.40 0.00 -1.26 -4.62 105.19 110.27 1x5m n GLY 40 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 1x5m n GLY 40 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1x5m h VAL 41 N 0.00 0.00 -0.01 1.61 3.04 -1.88 1.62 116.25 120.63 1x5m h VAL 41 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1x5m h VAL 41 Cb 0.00 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1x5m h VAL 41 CO 0.00 0.00 -0.30 0.00 -1.01 0.00 0.00 177.57 176.26 1x5m n HIS 42 N -2.69 0.00 -0.02 3.17 1.44 -1.26 -3.66 115.22 112.21 1x5m n HIS 42 Ca -0.02 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.77 1x5m n HIS 42 Cb 0.19 -0.15 -0.15 0.00 0.12 0.00 0.00 29.99 30.00 1x5m n HIS 42 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1x5m n GLN 43 N -0.83 0.63 -2.91 -1.40 6.02 0.54 -4.96 117.38 114.47 1x5m n GLN 43 Ca 0.11 -0.16 -0.33 0.00 -0.01 0.00 0.00 57.00 56.61 1x5m n GLN 43 Cb 0.34 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 1x5m n GLN 43 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1x5m s VAL 44 N -3.25 4.50 0.91 5.09 -7.23 -0.63 -5.06 120.40 114.73 1x5m s VAL 44 Ca -0.07 1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 61.25 1x5m s VAL 44 Cb 0.12 -3.61 0.14 0.00 0.56 0.00 0.00 36.38 33.58 1x5m s VAL 44 CO 0.79 -0.30 1.14 -2.16 -0.31 0.00 0.00 175.10 174.26 1x5m s PRO 45 N -3.17 1.16 0.00 4.82 0.04 -1.26 -4.92 135.00 131.67 1x5m s PRO 45 Ca 0.59 0.30 0.18 0.00 0.04 0.00 0.00 61.00 62.11 1x5m s PRO 45 Cb -0.09 -1.84 0.82 0.00 0.04 0.00 0.00 34.50 33.42 1x5m s PRO 45 CO 0.16 -2.18 1.57 -2.37 0.04 0.00 0.00 177.00 174.21 1x5m n THR 46 N -3.76 0.67 0.19 1.26 5.66 -1.26 -2.04 114.28 115.00 1x5m n THR 46 Ca 0.07 0.17 0.08 0.00 -3.05 0.00 0.00 64.05 61.31 1x5m n THR 46 Cb 0.59 -0.86 0.12 0.00 -1.55 0.00 0.00 70.33 68.63 1x5m n THR 46 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x5m h GLU 47 N 0.00 0.00 0.00 1.09 4.11 -2.00 -3.15 114.58 114.63 1x5m h GLU 47 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1x5m h GLU 47 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1x5m h GLU 47 CO 0.00 0.20 -1.46 0.09 0.07 0.00 0.00 179.01 177.91 1x5m n ASN 48 N -3.15 0.46 -4.31 3.06 3.02 -0.87 -4.71 115.26 108.76 1x5m n ASN 48 Ca 0.03 0.17 -0.46 0.00 -0.03 0.00 0.00 54.58 54.29 1x5m n ASN 48 Cb 0.61 1.16 -0.05 0.00 -0.61 0.00 0.00 39.78 40.89 1x5m n ASN 48 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x5m s VAL 49 N -3.43 5.21 -0.28 2.41 1.01 -1.14 -0.93 120.40 123.24 1x5m s VAL 49 Ca -0.04 -1.51 -0.03 0.00 0.00 0.00 0.00 61.98 60.40 1x5m s VAL 49 Cb 0.12 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 32.18 1x5m s VAL 49 CO 0.85 -0.89 0.00 -1.10 0.00 0.00 0.00 175.10 173.96 1x5m s GLN 50 N 1.60 2.70 -0.03 2.72 -0.21 -0.14 -4.84 119.66 121.46 1x5m s GLN 50 Ca 0.04 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.36 1x5m s GLN 50 Cb -0.29 -3.17 0.00 0.00 1.00 0.00 0.00 33.01 30.55 1x5m s GLN 50 CO 0.03 -0.52 -0.11 0.54 -2.12 0.00 0.00 175.29 173.11 1x5m s VAL 51 N 1.33 0.94 -0.05 1.09 0.11 -1.26 0.19 120.40 122.76 1x5m s VAL 51 Ca -0.02 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 1x5m s VAL 51 Cb -0.18 -0.83 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1x5m s VAL 51 CO -0.01 0.29 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.58 1x5m s HIS 52 N 0.22 1.91 -0.03 1.54 5.04 0.50 -4.96 115.29 119.50 1x5m s HIS 52 Ca -0.04 -0.60 -0.03 0.00 -1.54 0.00 0.00 55.06 52.86 1x5m s HIS 52 Cb -0.10 -1.29 -0.04 0.00 0.04 0.00 0.00 32.58 31.19 1x5m s HIS 52 CO 0.01 -0.21 0.12 -0.06 -2.34 0.00 0.00 174.74 172.26 1x5m s PHE 53 N 0.09 3.42 0.00 3.88 0.08 -1.26 -0.57 117.98 123.62 1x5m s PHE 53 Ca -0.06 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.30 1x5m s PHE 53 Cb -0.13 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1x5m s PHE 53 CO 0.03 0.61 0.00 0.25 -0.10 0.00 0.00 175.22 176.02 1x5m n THR 54 N 1.33 0.00 -0.01 0.64 -2.24 -0.40 -4.80 114.28 108.80 1x5m n THR 54 Ca -0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 1x5m n THR 54 Cb 0.53 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.67 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.64 -1.83 -0.78 4.11 -1.94 -3.38 114.58 111.39 1x5m h GLU 55 Ca 0.00 -0.56 -0.46 0.00 0.07 0.00 0.00 59.36 58.41 1x5m h GLU 55 Cb 0.00 0.13 -0.38 0.00 0.50 0.00 0.00 28.75 29.00 1x5m h GLU 55 CO 0.00 1.18 -1.14 0.54 0.07 0.00 0.00 179.01 179.66 1x5m n ARG 56 N -4.06 0.98 0.00 1.06 5.12 -1.26 0.18 116.66 118.67 1x5m n ARG 56 Ca -0.09 -3.27 0.00 0.00 -1.93 0.00 0.00 57.85 52.57 1x5m n ARG 56 Cb 0.71 -1.65 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1x5m n ARG 56 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1x5m n SER 57 N 0.28 0.00 -3.61 0.55 3.41 -1.26 -2.46 113.62 110.52 1x5m n SER 57 Ca 0.23 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.81 1x5m n SER 57 Cb 0.67 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 1x5m n SER 57 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x5m s PHE 58 N -2.00 -0.79 0.03 7.33 -0.12 -0.05 -1.28 117.98 121.11 1x5m s PHE 58 Ca 0.00 1.53 0.01 0.00 -0.05 0.00 0.00 56.93 58.42 1x5m s PHE 58 Cb 0.00 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.82 1x5m s PHE 58 CO 0.00 -0.39 0.06 0.16 -0.05 0.00 0.00 175.22 175.00 1x5m s ASP 59 N 1.69 5.48 -0.15 1.98 -4.77 0.26 -0.28 116.67 120.88 1x5m s ASP 59 Ca -0.08 0.04 -0.04 0.00 -3.30 0.00 0.00 52.55 49.17 1x5m s ASP 59 Cb -0.05 -1.50 0.07 0.00 -1.09 0.00 0.00 42.92 40.35 1x5m s ASP 59 CO -0.17 0.23 0.20 -0.22 0.70 0.00 0.00 175.17 175.92 1x5m s LEU 60 N -1.96 -0.12 0.07 2.11 0.20 0.58 -0.37 118.68 119.18 1x5m s LEU 60 Ca 0.25 0.11 0.05 0.00 0.69 0.00 0.00 54.13 55.23 1x5m s LEU 60 Cb -0.12 0.39 -0.04 0.00 -0.43 0.00 0.00 46.19 45.99 1x5m s LEU 60 CO 0.16 -0.28 -0.03 -0.22 -0.29 0.00 0.00 176.35 175.69 1x5m s LEU 61 N 2.33 3.35 -0.25 -0.68 1.98 0.52 0.85 118.68 126.78 1x5m s LEU 61 Ca 0.04 -0.20 -0.03 0.00 -2.89 0.00 0.00 54.13 51.06 1x5m s LEU 61 Cb -0.14 -2.06 0.11 0.00 0.66 0.00 0.00 46.19 44.76 1x5m s LEU 61 CO -0.09 0.20 0.22 -0.69 -1.89 0.00 0.00 176.35 174.10 1x5m s VAL 62 N -1.23 -0.28 0.33 1.68 1.01 0.62 -0.97 120.40 121.56 1x5m s VAL 62 Ca 0.23 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.87 1x5m s VAL 62 Cb -0.11 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1x5m s VAL 62 CO 0.15 -0.42 0.48 -0.54 0.00 0.00 0.00 175.10 174.78 1x5m s LYS 63 N 2.28 3.21 -0.00 2.72 1.02 -0.10 0.18 119.74 129.04 1x5m s LYS 63 Ca 0.08 -0.82 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 1x5m s LYS 63 Cb -0.15 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1x5m s LYS 63 CO -0.25 0.10 0.00 -1.71 -0.92 0.00 0.00 175.35 172.58 1x5m n ASN 64 N -1.67 -6.68 0.00 2.83 2.85 -1.25 -4.80 115.26 106.54 1x5m n ASN 64 Ca -0.02 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.91 1x5m n ASN 64 Cb 0.58 -1.58 0.00 0.00 1.24 0.00 0.00 39.78 40.02 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1x5m n LEU 65 N 1.42 0.00 -4.33 1.20 7.94 0.58 -4.76 117.00 119.06 1x5m n LEU 65 Ca -0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1x5m n LEU 65 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1x5m n LEU 65 CO 0.00 0.00 1.24 0.59 -1.11 0.00 0.00 177.39 178.12 1x5m n ASN 66 N 0.00 5.40 -0.92 1.96 3.02 -1.26 -4.40 115.26 119.06 1x5m n ASN 66 Ca 0.00 -3.05 -0.12 0.00 -0.03 0.00 0.00 54.58 51.38 1x5m n ASN 66 Cb 0.00 -1.48 -0.05 0.00 -0.61 0.00 0.00 39.78 37.64 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5m n GLY 67 N 3.28 1.27 0.24 7.41 0.00 -1.26 -4.89 105.19 111.24 1x5m n GLY 67 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 1x5m n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x5m n LYS 68 N -2.24 0.04 -4.16 1.61 2.85 -1.26 -5.14 118.16 109.86 1x5m n LYS 68 Ca -0.12 -0.09 -0.17 0.00 -1.05 0.00 0.00 58.31 56.88 1x5m n LYS 68 Cb 0.45 0.12 -0.12 0.00 -0.65 0.00 0.00 35.03 34.83 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1x5m s SER 69 N -1.15 1.57 0.07 -5.58 0.01 -1.26 0.22 113.70 107.57 1x5m s SER 69 Ca 0.01 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.71 1x5m s SER 69 Cb -0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.17 1x5m s SER 69 CO 0.00 -0.11 -0.17 -0.31 0.41 0.00 0.00 173.24 173.07 1x5m s TYR 70 N -1.40 1.45 0.01 2.43 1.51 0.13 0.19 117.35 121.67 1x5m s TYR 70 Ca -0.02 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1x5m s TYR 70 Cb -0.09 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1x5m s TYR 70 CO 0.02 0.10 -0.08 -1.54 -1.11 0.00 0.00 175.55 172.94 1x5m s SER 71 N -1.55 0.90 -0.15 2.29 1.04 0.49 -0.28 113.70 116.44 1x5m s SER 71 Ca 0.02 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1x5m s SER 71 Cb -0.09 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.03 1x5m s SER 71 CO 0.02 0.03 0.29 -0.32 0.98 0.00 0.00 173.24 174.25 1x5m s MET 72 N -0.48 0.18 0.02 4.02 0.00 0.25 -1.31 119.30 121.98 1x5m s MET 72 Ca 0.01 0.77 0.02 0.00 0.00 0.00 0.00 55.69 56.49 1x5m s MET 72 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 34.83 34.74 1x5m s MET 72 CO -0.00 -0.31 -0.07 0.42 0.00 0.00 0.00 175.02 175.06 1x5m s ILE 73 N 2.45 0.54 -0.11 10.11 1.01 -1.26 0.21 121.20 134.16 1x5m s ILE 73 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1x5m s ILE 73 Cb -0.12 -0.53 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1x5m s ILE 73 CO -0.10 -0.09 -0.10 0.68 0.00 0.00 0.00 174.94 175.34 1x5m s VAL 74 N -0.71 1.13 -0.09 2.92 -7.23 0.61 -4.97 120.40 112.06 1x5m s VAL 74 Ca -0.03 -0.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1x5m s VAL 74 Cb -0.06 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1x5m s VAL 74 CO 0.00 0.38 -0.21 0.20 -0.31 0.00 0.00 175.10 175.17 1x5m s ASN 75 N 1.48 3.40 -0.01 4.85 0.01 -1.26 -0.87 114.94 122.54 1x5m s ASN 75 Ca 0.01 -0.45 -0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1x5m s ASN 75 Cb -0.13 -1.24 0.00 0.00 0.41 0.00 0.00 41.25 40.29 1x5m s ASN 75 CO -0.06 0.20 0.00 0.59 -1.51 0.00 0.00 177.10 176.32 1x5m n ASN 76 N 3.24 -2.24 -4.76 -1.22 3.02 -1.03 -4.75 115.26 107.52 1x5m n ASN 76 Ca -0.18 0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.08 1x5m n ASN 76 Cb 0.53 -1.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.42 1x5m n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5m s LEU 77 N -0.07 4.26 0.28 3.41 1.43 -1.08 -0.15 118.68 126.75 1x5m s LEU 77 Ca -0.00 0.32 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1x5m s LEU 77 Cb 0.00 -2.12 0.75 0.00 0.03 0.00 0.00 46.19 44.85 1x5m s LEU 77 CO 0.04 0.22 1.35 -0.11 0.23 0.00 0.00 176.35 178.08 1x5m n LEU 78 N 3.17 -0.02 -4.33 1.79 7.94 -1.25 -4.34 117.00 119.95 1x5m n LEU 78 Ca -0.16 1.46 -0.18 0.00 -1.11 0.00 0.00 56.01 56.02 1x5m n LEU 78 Cb 0.53 -0.56 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 1x5m n LEU 78 CO 0.36 -1.51 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.16 1x5m s LYS 79 N -5.72 1.28 0.80 1.96 -0.14 -1.26 -4.83 119.74 111.83 1x5m s LYS 79 Ca -0.11 -1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 52.82 1x5m s LYS 79 Cb 0.26 -1.03 0.07 0.00 -1.68 0.00 0.00 37.83 35.46 1x5m s LYS 79 CO 0.67 0.16 1.10 -1.25 -0.76 0.00 0.00 175.35 175.27 1x5m s PRO 80 N -3.67 2.04 -0.10 -1.68 0.04 -1.26 -4.80 135.00 125.58 1x5m s PRO 80 Ca 0.22 0.62 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 1x5m s PRO 80 Cb -0.00 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.65 1x5m s PRO 80 CO 0.06 -1.65 0.28 0.96 0.04 0.00 0.00 177.00 176.70 1x5m s ILE 81 N -3.16 0.00 0.27 0.56 -5.25 0.49 -3.25 121.20 110.86 1x5m s ILE 81 Ca 0.61 -0.04 -0.29 0.00 -0.99 0.00 0.00 60.65 59.94 1x5m s ILE 81 Cb -0.14 -0.41 -0.09 0.00 2.95 0.00 0.00 42.46 44.76 1x5m s ILE 81 CO 0.54 -0.02 1.20 -0.55 -1.79 0.00 0.00 174.94 174.32 1x5m s SER 82 N 0.04 7.05 -0.02 4.36 0.15 -1.00 -3.93 113.70 120.35 1x5m s SER 82 Ca -0.01 2.41 -0.01 0.00 0.70 0.00 0.00 55.95 59.04 1x5m s SER 82 Cb -0.02 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x5m s SER 82 CO 0.01 -0.34 -0.01 0.58 1.20 0.00 0.00 173.24 174.68 1x5m h VAL 83 N 3.24 0.00 -0.23 4.45 2.07 -1.87 -0.59 116.25 123.31 1x5m h VAL 83 Ca -0.47 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1x5m h VAL 83 Cb 1.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1x5m h VAL 83 CO 0.69 0.00 0.56 -0.33 0.02 0.00 0.00 177.57 178.50 1x5m h GLU 84 N -0.18 0.00 0.00 1.57 5.08 -1.93 0.96 114.58 120.08 1x5m h GLU 84 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1x5m h GLU 84 Cb 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1x5m h GLU 84 CO 0.00 0.00 -1.87 0.41 -1.00 0.00 0.00 179.01 176.55 1x5m n GLY 85 N -1.39 -1.02 3.62 -3.84 0.00 -1.25 -4.95 105.19 96.35 1x5m n GLY 85 Ca 0.04 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1x5m n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 86 N -5.87 2.35 0.15 1.61 0.01 0.33 -4.64 113.70 107.64 1x5m s SER 86 Ca -0.06 1.93 -0.21 0.00 1.31 0.00 0.00 55.95 58.92 1x5m s SER 86 Cb 0.08 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.90 1x5m s SER 86 CO 0.83 -3.41 0.54 -0.44 0.41 0.00 0.00 173.24 171.16 1x5m s SER 87 N -2.68 -0.46 -0.01 2.44 0.01 -0.55 -4.93 113.70 107.52 1x5m s SER 87 Ca 0.67 -0.10 0.07 0.00 1.31 0.00 0.00 55.95 57.90 1x5m s SER 87 Cb -0.23 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 1x5m s SER 87 CO 0.60 -0.93 -0.23 -1.59 0.41 0.00 0.00 173.24 171.51 1x5m s LYS 88 N -3.74 1.81 0.07 12.44 0.00 -1.26 -0.69 119.74 128.36 1x5m s LYS 88 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 55.97 55.17 1x5m s LYS 88 Cb -0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 37.83 36.03 1x5m s LYS 88 CO -0.12 0.48 -0.05 0.15 0.00 0.00 0.00 175.35 175.81 1x5m s LYS 89 N -0.57 0.66 -0.05 1.78 1.02 -0.78 -4.92 119.74 116.89 1x5m s LYS 89 Ca 0.09 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.91 1x5m s LYS 89 Cb -0.09 -0.00 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1x5m s LYS 89 CO -0.01 -0.06 -0.04 0.08 -0.92 0.00 0.00 175.35 174.41 1x5m s VAL 90 N -3.38 0.54 0.55 3.17 1.01 -1.26 0.19 120.40 121.21 1x5m s VAL 90 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1x5m s VAL 90 Cb 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1x5m s VAL 90 CO -0.06 0.24 0.47 -1.59 0.00 0.00 0.00 175.10 174.15 1x5m s LYS 91 N 1.07 2.27 -0.04 2.72 -2.85 0.55 -4.85 119.74 118.61 1x5m s LYS 91 Ca -0.09 -1.95 -0.30 0.00 -1.00 0.00 0.00 55.97 52.64 1x5m s LYS 91 Cb -0.14 -2.20 -0.07 0.00 -2.06 0.00 0.00 37.83 33.37 1x5m s LYS 91 CO -0.01 -0.65 1.85 0.99 0.10 0.00 0.00 175.35 177.63 1x5m s THR 92 N -2.75 3.27 -1.12 3.79 2.01 -1.26 -1.61 115.64 117.97 1x5m s THR 92 Ca 0.39 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1x5m s THR 92 Cb -0.03 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1x5m s THR 92 CO 0.24 -0.05 0.00 0.47 -0.69 0.00 0.00 174.62 174.59 1x5m n ASP 93 N 7.85 -3.81 -3.67 3.53 8.00 -1.25 -4.90 116.55 122.30 1x5m n ASP 93 Ca 0.20 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.77 1x5m n ASP 93 Cb 0.42 -3.30 -0.08 0.00 -0.02 0.00 0.00 41.12 38.14 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5m s THR 94 N -2.51 0.01 -0.13 -3.53 2.01 -0.63 -0.95 115.64 109.91 1x5m s THR 94 Ca 0.00 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 1x5m s THR 94 Cb 0.00 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1x5m s THR 94 CO 0.00 -0.07 -0.13 0.54 -0.69 0.00 0.00 174.62 174.28 1x5m s VAL 95 N -0.50 3.11 0.03 3.82 0.11 -0.77 0.21 120.40 126.40 1x5m s VAL 95 Ca -0.06 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.34 1x5m s VAL 95 Cb -0.03 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1x5m s VAL 95 CO 0.04 0.53 0.16 -0.76 -3.33 0.00 0.00 175.10 171.74 1x5m s LEU 96 N 0.30 4.22 -0.37 2.54 1.43 0.50 -2.04 118.68 125.25 1x5m s LEU 96 Ca -0.10 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1x5m s LEU 96 Cb -0.16 -2.66 0.14 0.00 0.03 0.00 0.00 46.19 43.54 1x5m s LEU 96 CO 0.05 0.22 0.21 -0.63 0.23 0.00 0.00 176.35 176.44 1x5m s ILE 97 N -1.37 0.49 -0.17 -0.59 -1.09 -0.76 -1.86 121.20 115.85 1x5m s ILE 97 Ca 0.29 -1.91 -0.29 0.00 -2.23 0.00 0.00 60.65 56.51 1x5m s ILE 97 Cb -0.13 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.39 1x5m s ILE 97 CO 0.21 -0.95 1.18 -0.76 -1.23 0.00 0.00 174.94 173.40 1x5m s LEU 98 N 0.91 4.17 -0.26 2.97 1.43 0.13 -1.95 118.68 126.09 1x5m s LEU 98 Ca 0.18 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 1x5m s LEU 98 Cb -0.23 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1x5m s LEU 98 CO -0.00 -0.71 -0.10 0.00 0.23 0.00 0.00 176.35 175.77 1x5m n ARG 100 N 4.44 1.26 -3.76 0.00 5.12 -1.26 -0.79 116.66 121.67 1x5m n ARG 100 Ca -0.13 0.48 -0.36 0.00 -1.93 0.00 0.00 57.85 55.90 1x5m n ARG 100 Cb 0.42 -2.41 -0.07 0.00 -1.16 0.00 0.00 32.46 29.24 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x5m s LYS 101 N -2.95 3.78 0.39 5.56 1.02 -1.26 -2.39 119.74 123.89 1x5m s LYS 101 Ca 0.76 -0.07 0.21 0.00 0.02 0.00 0.00 55.97 56.88 1x5m s LYS 101 Cb -0.41 -3.28 0.55 0.00 -0.52 0.00 0.00 37.83 34.16 1x5m s LYS 101 CO 0.46 0.58 1.66 -0.22 -0.92 0.00 0.00 175.35 176.92 1x5m h LYS 102 N 5.59 0.00 -2.40 1.68 3.64 -1.90 -3.43 116.57 119.76 1x5m h LYS 102 Ca -0.49 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 1x5m h LYS 102 Cb 1.20 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.74 1x5m h LYS 102 CO 0.65 0.28 -0.38 0.54 -2.27 0.00 0.00 179.45 178.27 1x5m s VAL 103 N -3.34 -0.65 1.20 2.00 0.11 -1.26 -5.05 120.40 113.40 1x5m s VAL 103 Ca 0.03 0.13 -0.15 0.00 -2.93 0.00 0.00 61.98 59.06 1x5m s VAL 103 Cb 0.08 -0.69 0.29 0.00 -1.53 0.00 0.00 36.38 34.53 1x5m s VAL 103 CO 0.68 0.04 1.02 -1.61 -3.33 0.00 0.00 175.10 171.90 1x5m s GLU 104 N 2.61 -1.21 -1.09 1.54 8.01 -1.26 -4.10 118.70 123.20 1x5m s GLU 104 Ca 0.00 0.52 -0.16 0.00 0.01 0.00 0.00 54.97 55.35 1x5m s GLU 104 Cb -0.12 -1.55 -0.02 0.00 -4.31 0.00 0.00 34.13 28.13 1x5m s GLU 104 CO -0.13 -3.84 0.82 -1.71 0.01 0.00 0.00 175.26 170.41 1x5m n ASN 105 N -4.95 -5.74 -4.11 -0.19 2.85 -1.26 -4.94 115.26 96.91 1x5m n ASN 105 Ca 0.06 -0.91 -0.18 0.00 -0.11 0.00 0.00 54.58 53.44 1x5m n ASN 105 Cb 0.57 -3.82 -0.13 0.00 1.24 0.00 0.00 39.78 37.63 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5m s THR 106 N -3.41 0.94 -0.12 -0.44 2.01 -1.26 -5.08 115.64 108.29 1x5m s THR 106 Ca 0.44 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.45 1x5m s THR 106 Cb -0.13 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1x5m s THR 106 CO 0.83 -0.07 0.03 -0.60 -0.69 0.00 0.00 174.62 174.12 1x5m s ARG 107 N -1.15 3.34 -0.57 4.92 3.52 -1.26 -4.70 118.95 123.04 1x5m s ARG 107 Ca -0.01 -0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1x5m s ARG 107 Cb -0.08 -2.95 0.15 0.00 -1.56 0.00 0.00 34.95 30.52 1x5m s ARG 107 CO 0.01 0.56 0.38 -1.58 -0.81 0.00 0.00 175.30 173.86 1x5m s TRP 108 N -0.48 3.44 -0.29 5.12 0.52 -1.26 -4.90 118.94 121.09 1x5m s TRP 108 Ca 0.09 -2.68 0.21 0.00 0.02 0.00 0.00 56.10 53.74 1x5m s TRP 108 Cb -0.12 -3.18 1.09 0.00 -1.15 0.00 0.00 33.47 30.11 1x5m s TRP 108 CO 0.02 -0.86 1.65 -0.25 0.02 0.00 0.00 176.95 177.52 1x5m n ASP 109 N 3.70 0.56 -3.63 2.95 9.92 -1.26 -4.59 116.55 124.20 1x5m n ASP 109 Ca 0.05 0.73 -0.13 0.00 -0.53 0.00 0.00 54.79 54.92 1x5m n ASP 109 Cb 0.38 -0.82 -0.07 0.00 -0.64 0.00 0.00 41.12 39.98 1x5m n ASP 109 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1x5m s TYR 110 N -3.48 -0.74 0.39 1.24 2.02 -1.26 -4.96 117.35 110.56 1x5m s TYR 110 Ca -0.01 1.78 0.16 0.00 -0.37 0.00 0.00 57.07 58.64 1x5m s TYR 110 Cb 0.07 0.30 1.04 0.00 -0.40 0.00 0.00 41.96 42.96 1x5m s TYR 110 CO 0.23 -0.35 1.81 1.25 -1.57 0.00 0.00 175.55 176.91 1x5m h LEU 111 N 4.90 0.48 -9.00 -1.29 6.46 -1.98 -3.37 115.31 111.51 1x5m h LEU 111 Ca -0.29 0.07 -0.50 0.00 -0.12 0.00 0.00 57.88 57.04 1x5m h LEU 111 Cb 1.16 -0.02 -0.14 0.00 -0.73 0.00 0.00 40.66 40.93 1x5m h LEU 111 CO 0.06 0.15 -0.73 0.42 -0.62 0.00 0.00 178.44 177.72 1x5m s THR 112 N -5.52 1.92 -0.80 1.05 -4.23 -1.26 -3.88 115.64 102.92 1x5m s THR 112 Ca -0.09 -2.26 0.23 0.00 -1.18 0.00 0.00 61.69 58.40 1x5m s THR 112 Cb 0.24 -2.15 0.22 0.00 1.34 0.00 0.00 72.50 72.15 1x5m s THR 112 CO 0.79 -0.52 1.72 1.67 -0.54 0.00 0.00 174.62 177.75 1x5m n GLN 113 N -0.46 0.11 0.16 3.99 7.27 0.79 -3.41 117.38 125.83 1x5m n GLN 113 Ca -0.07 0.22 -0.09 0.00 0.07 0.00 0.00 57.00 57.13 1x5m n GLN 113 Cb 0.61 -1.67 -0.05 0.00 2.41 0.00 0.00 30.24 31.54 1x5m n GLN 113 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1x5m h VAL 114 N 0.00 0.19 -1.83 1.69 2.07 -1.87 -3.02 116.25 113.48 1x5m h VAL 114 Ca 0.00 -0.71 0.53 0.00 0.82 0.00 0.00 66.70 67.35 1x5m h VAL 114 Cb 0.46 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.48 1x5m h VAL 114 CO 0.00 0.05 1.34 -0.08 0.02 0.00 0.00 177.57 178.90 1x5m h GLU 115 N -1.08 0.00 0.04 1.57 4.57 -1.93 1.70 114.58 119.47 1x5m h GLU 115 Ca -0.05 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1x5m h GLU 115 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1x5m h GLU 115 CO 0.08 0.00 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.67 1x5m h LYS 116 N 0.00 -0.06 -0.10 1.92 1.63 -1.66 0.54 116.57 118.85 1x5m h LYS 116 Ca 0.87 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.52 1x5m h LYS 116 Cb 3.54 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 35.17 1x5m h LYS 116 CO -0.01 0.42 -0.60 1.05 -3.45 0.00 0.00 179.45 176.86 1x5m h GLU 117 N -0.56 0.33 0.23 1.90 4.11 0.21 -0.23 114.58 120.57 1x5m h GLU 117 Ca -0.01 -0.23 -0.01 0.00 0.07 0.00 0.00 59.36 59.19 1x5m h GLU 117 Cb 0.50 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1x5m h GLU 117 CO 0.01 0.83 -0.11 0.00 0.07 0.00 0.00 179.01 179.81 1x5m h LYS 119 N -0.77 -0.81 -5.89 0.00 1.79 0.09 -3.30 116.57 107.67 1x5m h LYS 119 Ca -0.03 0.06 -0.49 0.00 -2.18 0.00 0.00 60.65 58.00 1x5m h LYS 119 Cb 0.50 0.19 -0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1x5m h LYS 119 CO 0.05 -0.54 1.32 -1.21 -1.08 0.00 0.00 179.45 177.99 1x5m s GLU 120 N -5.93 3.22 -0.70 3.15 0.41 -0.10 -4.92 118.70 113.82 1x5m s GLU 120 Ca -0.17 -0.99 -0.25 0.00 -0.41 0.00 0.00 54.97 53.15 1x5m s GLU 120 Cb 0.05 -5.28 0.05 0.00 -1.78 0.00 0.00 34.13 27.17 1x5m s GLU 120 CO 0.62 -2.75 1.15 0.21 -0.49 0.00 0.00 175.26 174.00 1x5m s LYS 121 N 5.65 3.16 -0.05 1.61 2.36 -1.25 -4.58 119.74 126.64 1x5m s LYS 121 Ca 0.57 -0.48 -0.04 0.00 -2.55 0.00 0.00 55.97 53.47 1x5m s LYS 121 Cb -0.02 -4.20 0.02 0.00 -1.05 0.00 0.00 37.83 32.58 1x5m s LYS 121 CO -0.02 -2.01 0.08 0.43 1.55 0.00 0.00 175.35 175.38 1x5m n SER 122 N 8.68 -5.32 0.00 1.43 7.64 -1.26 -5.06 113.62 119.72 1x5m n SER 122 Ca 0.00 1.54 0.00 0.00 1.01 0.00 0.00 58.87 61.43 1x5m n SER 122 Cb 0.48 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.12 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 123 N 1.89 -1.22 2.76 0.23 0.00 -1.26 -5.06 105.19 102.53 1x5m n GLY 123 Ca -0.14 0.97 -0.38 0.00 0.00 0.00 0.00 46.02 46.47 1x5m n GLY 123 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5m n PRO 124 N 0.00 2.38 -0.05 1.61 -0.04 -1.26 -4.90 135.00 132.74 1x5m n PRO 124 Ca 0.00 -2.05 0.01 0.00 -0.04 0.00 0.00 63.50 61.42 1x5m n PRO 124 Cb 0.00 -2.91 -0.00 0.00 -0.04 0.00 0.00 33.50 30.54 1x5m n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5m n SER 125 N 5.77 -2.61 -4.51 3.54 2.88 -1.26 -4.35 113.62 113.07 1x5m n SER 125 Ca 0.54 0.05 -0.43 0.00 -1.33 0.00 0.00 58.87 57.70 1x5m n SER 125 Cb 0.32 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.52 1x5m n SER 125 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5m s SER 126 N -3.97 6.29 0.00 -3.46 0.01 -1.26 -5.25 113.70 106.05 1x5m s SER 126 Ca 0.00 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1x5m s SER 126 Cb 0.00 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1x5m s SER 126 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55