#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m n SER 2 N 0.00 -2.98 -3.91 1.61 7.64 -1.26 -5.05 113.62 109.68 1x5m n SER 2 Ca 0.00 1.35 -0.12 0.00 1.01 0.00 0.00 58.87 61.11 1x5m n SER 2 Cb 0.00 -4.45 -0.13 0.00 -1.01 0.00 0.00 64.21 58.62 1x5m n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5m s SER 3 N -0.51 0.17 0.00 6.43 0.15 -1.26 -5.15 113.70 113.54 1x5m s SER 3 Ca -0.19 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1x5m s SER 3 Cb 0.01 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1x5m s SER 3 CO 0.50 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1x5m n GLY 4 N 2.66 -0.33 2.58 9.45 0.00 -1.26 -5.10 105.19 113.19 1x5m n GLY 4 Ca -0.15 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 1x5m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5m s SER 5 N 0.00 2.88 0.00 1.61 0.15 -1.26 -5.08 113.70 112.00 1x5m s SER 5 Ca 0.00 -2.93 0.00 0.00 0.70 0.00 0.00 55.95 53.72 1x5m s SER 5 Cb 0.00 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1x5m s SER 5 CO 0.00 -0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.03 1x5m n SER 6 N 3.10 0.00 0.00 5.45 7.64 -1.26 -5.15 113.62 123.40 1x5m n SER 6 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1x5m n SER 6 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 7 N -0.15 0.56 3.12 0.23 0.00 -1.26 -5.17 105.19 102.53 1x5m n GLY 7 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 1x5m n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5m s VAL 8 N 0.00 1.32 0.04 1.61 1.01 -1.26 -5.14 120.40 117.98 1x5m s VAL 8 Ca 0.00 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.39 1x5m s VAL 8 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1x5m s VAL 8 CO 0.00 0.38 -0.25 0.54 0.00 0.00 0.00 175.10 175.77 1x5m s VAL 9 N -0.06 2.00 -0.16 2.92 0.11 -1.26 -5.12 120.40 118.84 1x5m s VAL 9 Ca -0.01 -1.30 -0.01 0.00 -2.93 0.00 0.00 61.98 57.73 1x5m s VAL 9 Cb -0.10 -1.71 0.04 0.00 -1.53 0.00 0.00 36.38 33.08 1x5m s VAL 9 CO 0.01 0.35 -0.04 0.00 -3.33 0.00 0.00 175.10 172.09 1x5m s ALA 10 N -0.77 1.35 -1.00 1.54 0.00 -1.26 -5.07 121.76 116.56 1x5m s ALA 10 Ca 0.10 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 1x5m s ALA 10 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1x5m s ALA 10 CO 0.02 -0.78 1.71 -1.25 0.00 0.00 0.00 175.76 175.46 1x5m s PRO 11 N 1.69 3.10 0.74 0.00 0.04 -1.26 -4.97 135.00 134.35 1x5m s PRO 11 Ca 0.01 -0.82 -0.14 0.00 0.04 0.00 0.00 61.00 60.09 1x5m s PRO 11 Cb -0.15 -5.24 0.05 0.00 0.04 0.00 0.00 34.50 29.20 1x5m s PRO 11 CO -0.07 -2.82 1.16 0.96 0.04 0.00 0.00 177.00 176.26 1x5m s ILE 12 N 7.49 2.62 -0.06 0.56 -5.25 -1.26 -5.03 121.20 120.27 1x5m s ILE 12 Ca 0.58 0.27 0.04 0.00 -0.99 0.00 0.00 60.65 60.56 1x5m s ILE 12 Cb -0.03 -2.74 0.00 0.00 2.95 0.00 0.00 42.46 42.65 1x5m s ILE 12 CO -0.03 -0.20 -0.19 0.42 -1.79 0.00 0.00 174.94 173.15 1x5m s THR 13 N -2.28 1.61 0.37 8.37 -4.23 -1.26 -5.10 115.64 113.11 1x5m s THR 13 Ca 0.70 -0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 1x5m s THR 13 Cb -0.25 -1.39 -0.12 0.00 1.34 0.00 0.00 72.50 72.08 1x5m s THR 13 CO 0.47 0.46 -0.05 1.07 -0.54 0.00 0.00 174.62 176.03 1x5m n THR 14 N 3.35 0.13 0.00 3.99 5.66 -1.26 -4.93 114.28 121.22 1x5m n THR 14 Ca -0.19 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1x5m n THR 14 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5m n GLY 15 N 1.92 4.39 3.75 1.09 0.00 -1.26 -5.20 105.19 109.88 1x5m n GLY 15 Ca 0.07 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.39 1x5m n GLY 15 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5m s TYR 16 N -1.36 -0.02 0.02 1.61 1.13 -1.26 -5.18 117.35 112.30 1x5m s TYR 16 Ca 0.00 -0.11 0.01 0.00 -1.41 0.00 0.00 57.07 55.56 1x5m s TYR 16 Cb 0.00 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.40 1x5m s TYR 16 CO 0.00 -0.31 -0.05 0.99 -2.51 0.00 0.00 175.55 173.67 1x5m s THR 17 N -2.29 0.32 0.56 -3.49 2.01 -1.26 -4.59 115.64 106.90 1x5m s THR 17 Ca 0.19 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1x5m s THR 17 Cb 0.03 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1x5m s THR 17 CO -0.02 -0.28 1.02 -0.69 -0.69 0.00 0.00 174.62 173.96 1x5m s VAL 18 N -1.01 4.18 -0.21 3.82 1.01 0.56 -4.78 120.40 123.98 1x5m s VAL 18 Ca -0.08 1.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 1x5m s VAL 18 Cb -0.07 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1x5m s VAL 18 CO -0.00 -0.63 0.06 -1.59 0.00 0.00 0.00 175.10 172.94 1x5m s LYS 19 N -4.17 3.81 -0.85 2.72 -2.85 -1.26 0.16 119.74 117.29 1x5m s LYS 19 Ca 0.61 -0.42 -0.24 0.00 -1.00 0.00 0.00 55.97 54.93 1x5m s LYS 19 Cb -0.13 -3.26 0.06 0.00 -2.06 0.00 0.00 37.83 32.44 1x5m s LYS 19 CO 0.36 0.05 1.26 0.42 0.10 0.00 0.00 175.35 177.53 1x5m s ILE 20 N 0.99 4.05 -0.10 3.79 1.01 -0.56 -4.83 121.20 125.54 1x5m s ILE 20 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1x5m s ILE 20 Cb -0.14 -4.90 -0.01 0.00 0.01 0.00 0.00 42.46 37.42 1x5m s ILE 20 CO 0.03 -1.76 0.03 -1.28 0.00 0.00 0.00 174.94 171.96 1x5m h SER 21 N 9.69 -0.02 -3.29 3.58 0.87 -1.96 -3.44 113.55 118.98 1x5m h SER 21 Ca -0.06 -0.01 -0.60 0.00 -1.23 0.00 0.00 61.79 59.90 1x5m h SER 21 Cb 1.04 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.91 1x5m h SER 21 CO 1.29 0.48 0.46 0.21 -0.53 0.00 0.00 176.83 178.74 1x5m s ASN 22 N -5.53 6.82 -0.14 6.23 3.84 -1.26 -5.02 114.94 119.88 1x5m s ASN 22 Ca -0.01 1.02 -0.08 0.00 0.21 0.00 0.00 52.86 54.01 1x5m s ASN 22 Cb 0.00 -2.43 0.05 0.00 -0.55 0.00 0.00 41.25 38.32 1x5m s ASN 22 CO 0.02 -0.51 0.34 -0.72 -2.79 0.00 0.00 177.10 173.44 1x5m s TYR 23 N 2.83 -0.48 0.17 0.43 -0.85 -1.26 -4.75 117.35 113.44 1x5m s TYR 23 Ca 0.35 1.06 -0.27 0.00 -0.52 0.00 0.00 57.07 57.68 1x5m s TYR 23 Cb -0.15 0.17 -0.08 0.00 0.38 0.00 0.00 41.96 42.28 1x5m s TYR 23 CO 0.07 -0.29 0.85 0.20 -1.52 0.00 0.00 175.55 174.87 1x5m s GLY 24 N 1.24 2.98 -0.01 5.49 0.00 -0.51 -4.96 107.32 111.54 1x5m s GLY 24 Ca -0.09 0.46 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 1x5m s GLY 24 CO -0.10 1.07 0.15 0.66 0.00 0.00 0.00 173.10 174.88 1x5m s TRP 25 N -0.90 -0.02 -0.01 1.90 1.48 -1.26 0.13 118.94 120.26 1x5m s TRP 25 Ca 0.39 0.02 -0.07 0.00 -1.06 0.00 0.00 56.10 55.38 1x5m s TRP 25 Cb -0.24 -0.02 0.01 0.00 -1.16 0.00 0.00 33.47 32.06 1x5m s TRP 25 CO 0.28 -0.24 0.15 -0.51 -4.06 0.00 0.00 176.95 172.58 1x5m s ASP 26 N -1.01 -0.03 0.08 -2.66 1.01 -0.56 -4.94 116.67 108.56 1x5m s ASP 26 Ca -0.11 -0.07 0.08 0.00 0.71 0.00 0.00 52.55 53.16 1x5m s ASP 26 Cb -0.06 0.25 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 1x5m s ASP 26 CO 0.01 -0.30 -0.21 0.00 0.21 0.00 0.00 175.17 174.88 1x5m s GLN 27 N -1.04 1.24 0.02 8.23 0.00 -1.26 -2.31 119.66 124.54 1x5m s GLN 27 Ca -0.11 -1.07 -0.00 0.00 -0.00 0.00 0.00 55.36 54.18 1x5m s GLN 27 Cb -0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 33.01 31.49 1x5m s GLN 27 CO 0.01 0.35 -0.03 -1.12 0.00 0.00 0.00 175.29 174.51 1x5m s SER 28 N -1.59 0.26 -1.06 12.60 0.01 -0.95 -4.99 113.70 117.99 1x5m s SER 28 Ca 0.07 -0.55 -0.25 0.00 1.31 0.00 0.00 55.95 56.52 1x5m s SER 28 Cb -0.09 0.12 -0.19 0.00 0.21 0.00 0.00 66.02 66.06 1x5m s SER 28 CO 0.03 -0.34 2.02 0.47 0.41 0.00 0.00 173.24 175.83 1x5m n ASP 29 N 1.42 1.98 0.00 2.44 8.00 -1.26 -1.98 116.55 127.14 1x5m n ASP 29 Ca -0.23 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1x5m n ASP 29 Cb 0.56 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 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 8.14 0.00 -3.86 -1.24 5.02 -1.26 -4.49 118.16 120.47 1x5m n LYS 30 Ca 0.43 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1x5m n LYS 30 Cb 0.46 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.44 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1x5m s PHE 31 N 0.00 0.02 -0.05 2.13 0.08 -0.84 -4.15 117.98 115.17 1x5m s PHE 31 Ca 0.00 -0.41 0.04 0.00 0.12 0.00 0.00 56.93 56.68 1x5m s PHE 31 Cb 0.00 0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.85 1x5m s PHE 31 CO 0.00 -1.04 -0.15 0.08 -0.10 0.00 0.00 175.22 174.01 1x5m s VAL 32 N -3.94 3.04 -0.03 -0.44 1.01 -0.01 -2.23 120.40 117.81 1x5m s VAL 32 Ca 0.14 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1x5m s VAL 32 Cb -0.02 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1x5m s VAL 32 CO 0.04 0.59 0.16 -0.75 0.00 0.00 0.00 175.10 175.13 1x5m s LYS 33 N -0.74 0.36 0.15 2.72 2.20 -0.98 0.16 119.74 123.61 1x5m s LYS 33 Ca 0.12 -0.12 0.11 0.00 -0.36 0.00 0.00 55.97 55.72 1x5m s LYS 33 Cb -0.11 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1x5m s LYS 33 CO 0.01 -0.08 -0.25 0.42 -0.36 0.00 0.00 175.35 175.08 1x5m s ILE 34 N -0.74 2.32 -0.20 5.43 1.09 -0.86 -1.50 121.20 126.74 1x5m s ILE 34 Ca -0.08 -1.85 -0.03 0.00 -1.10 0.00 0.00 60.65 57.59 1x5m s ILE 34 Cb -0.05 -2.06 0.06 0.00 -1.06 0.00 0.00 42.46 39.35 1x5m s ILE 34 CO 0.01 0.01 0.05 -0.31 -0.10 0.00 0.00 174.94 174.60 1x5m s TYR 35 N -1.29 0.93 0.14 3.97 1.51 0.35 -1.96 117.35 121.00 1x5m s TYR 35 Ca 0.17 -0.83 0.06 0.00 -1.01 0.00 0.00 57.07 55.45 1x5m s TYR 35 Cb -0.09 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1x5m s TYR 35 CO 0.08 -0.62 0.05 0.42 -1.11 0.00 0.00 175.55 174.37 1x5m s ILE 36 N 1.89 4.11 -0.51 2.71 1.09 -0.99 -1.43 121.20 128.08 1x5m s ILE 36 Ca 0.00 -1.16 -0.17 0.00 -1.10 0.00 0.00 60.65 58.22 1x5m s ILE 36 Cb -0.17 -3.05 0.07 0.00 -1.06 0.00 0.00 42.46 38.26 1x5m s ILE 36 CO -0.10 -0.04 0.54 -0.89 -0.10 0.00 0.00 174.94 174.35 1x5m s THR 37 N -1.62 5.03 -0.29 2.92 2.01 -1.26 -1.84 115.64 120.59 1x5m s THR 37 Ca 0.28 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 1x5m s THR 37 Cb -0.10 -4.26 0.10 0.00 0.01 0.00 0.00 72.50 68.25 1x5m s THR 37 CO 0.20 -0.76 0.11 -0.22 -0.69 0.00 0.00 174.62 173.27 1x5m s LEU 38 N 2.18 1.24 -0.06 4.42 1.98 -0.10 -4.95 118.68 123.39 1x5m s LEU 38 Ca 0.10 -1.41 -0.30 0.00 -2.89 0.00 0.00 54.13 49.63 1x5m s LEU 38 Cb -0.22 -0.56 -0.04 0.00 0.66 0.00 0.00 46.19 46.02 1x5m s LEU 38 CO 0.09 -0.43 1.34 -0.89 -1.89 0.00 0.00 176.35 174.57 1x5m s THR 39 N 1.90 3.98 0.00 3.68 2.01 -1.24 -2.47 115.64 123.49 1x5m s THR 39 Ca 0.09 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.38 1x5m s THR 39 Cb -0.17 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.51 1x5m s THR 39 CO -0.31 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 1x5m n GLY 40 N 3.61 2.75 0.27 4.40 0.00 -1.26 -3.97 105.19 110.99 1x5m n GLY 40 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.83 1.34 116.25 120.40 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 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1x5m h VAL 41 CO 0.00 0.00 -0.31 0.00 -1.01 0.00 0.00 177.57 176.25 1x5m n HIS 42 N -2.73 0.00 -0.04 3.17 1.44 -1.26 -3.89 115.22 111.91 1x5m n HIS 42 Ca -0.02 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.68 1x5m n HIS 42 Cb 0.13 -0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.05 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 -0.53 1.33 -1.87 -1.40 6.02 0.43 -5.00 117.38 116.36 1x5m n GLN 43 Ca 0.11 -0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.72 1x5m n GLN 43 Cb 0.37 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.56 3.57 0.89 5.09 -7.23 0.35 -5.03 120.40 115.47 1x5m s VAL 44 Ca -0.06 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 1x5m s VAL 44 Cb 0.06 -3.25 0.13 0.00 0.56 0.00 0.00 36.38 33.88 1x5m s VAL 44 CO 0.55 -0.46 1.13 -2.16 -0.31 0.00 0.00 175.10 173.84 1x5m s PRO 45 N -4.16 1.28 0.00 4.82 0.04 -1.26 -4.93 135.00 130.79 1x5m s PRO 45 Ca 0.65 0.34 0.23 0.00 0.04 0.00 0.00 61.00 62.26 1x5m s PRO 45 Cb -0.18 -1.85 1.23 0.00 0.04 0.00 0.00 34.50 33.74 1x5m s PRO 45 CO 0.40 -2.11 1.77 -2.37 0.04 0.00 0.00 177.00 174.74 1x5m n THR 46 N -3.72 0.22 0.05 1.26 5.66 -1.26 -2.44 114.28 114.05 1x5m n THR 46 Ca 0.07 0.05 -0.02 0.00 -3.05 0.00 0.00 64.05 61.10 1x5m n THR 46 Cb 0.59 -0.67 -0.07 0.00 -1.55 0.00 0.00 70.33 68.62 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 -3.27 114.58 114.51 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 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x5m h GLU 47 CO 0.00 0.46 -0.46 -0.91 0.07 0.00 0.00 179.01 178.17 1x5m h ASN 48 N 0.00 0.00 -3.53 3.06 2.35 -1.79 -3.41 115.58 112.26 1x5m h ASN 48 Ca -0.13 -0.15 -0.72 0.00 -0.55 0.00 0.00 56.30 54.76 1x5m h ASN 48 Cb 1.64 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.69 1x5m h ASN 48 CO 0.07 0.07 -0.40 -0.69 -1.65 0.00 0.00 177.43 174.83 1x5m s VAL 49 N -3.16 3.93 -0.28 2.81 1.01 -1.19 -0.11 120.40 123.41 1x5m s VAL 49 Ca 0.07 -2.12 -0.03 0.00 0.00 0.00 0.00 61.98 59.90 1x5m s VAL 49 Cb 0.13 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.93 1x5m s VAL 49 CO 0.69 -0.79 -0.00 -1.10 0.00 0.00 0.00 175.10 173.90 1x5m s GLN 50 N 0.97 2.82 -0.04 2.72 -0.21 -0.49 -4.85 119.66 120.58 1x5m s GLN 50 Ca 0.09 -1.01 0.04 0.00 0.02 0.00 0.00 55.36 54.50 1x5m s GLN 50 Cb -0.23 -3.15 -0.00 0.00 1.00 0.00 0.00 33.01 30.62 1x5m s GLN 50 CO -0.03 -0.47 -0.15 0.54 -2.12 0.00 0.00 175.29 173.07 1x5m s VAL 51 N 1.36 1.22 -0.05 1.09 0.11 -1.26 0.18 120.40 123.06 1x5m s VAL 51 Ca -0.00 -0.60 0.05 0.00 -2.93 0.00 0.00 61.98 58.49 1x5m s VAL 51 Cb -0.18 -1.06 -0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1x5m s VAL 51 CO -0.02 0.36 -0.20 -2.28 -3.33 0.00 0.00 175.10 169.64 1x5m s HIS 52 N 0.07 1.97 0.03 1.54 5.04 0.20 -4.96 115.29 119.17 1x5m s HIS 52 Ca -0.03 -0.60 0.01 0.00 -1.54 0.00 0.00 55.06 52.89 1x5m s HIS 52 Cb -0.10 -1.32 -0.04 0.00 0.04 0.00 0.00 32.58 31.16 1x5m s HIS 52 CO 0.01 -0.21 0.10 -0.06 -2.34 0.00 0.00 174.74 172.25 1x5m s PHE 53 N 0.04 3.30 0.00 3.88 0.08 -1.26 -0.34 117.98 123.69 1x5m s PHE 53 Ca -0.06 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.18 1x5m s PHE 53 Cb -0.13 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1x5m s PHE 53 CO 0.03 0.55 0.00 0.25 -0.10 0.00 0.00 175.22 175.96 1x5m n THR 54 N 0.84 0.00 0.10 0.64 -2.24 -0.52 -4.80 114.28 108.29 1x5m n THR 54 Ca -0.11 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.45 1x5m n THR 54 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.61 -1.83 -0.78 4.11 -1.95 -3.36 114.58 111.38 1x5m h GLU 55 Ca 0.00 -0.85 -0.46 0.00 0.07 0.00 0.00 59.36 58.12 1x5m h GLU 55 Cb 0.00 0.29 -0.38 0.00 0.50 0.00 0.00 28.75 29.16 1x5m h GLU 55 CO 0.00 1.39 -1.13 0.54 0.07 0.00 0.00 179.01 179.88 1x5m n ARG 56 N -3.77 0.97 0.00 1.06 5.12 -1.26 0.19 116.66 118.97 1x5m n ARG 56 Ca -0.14 -3.25 0.00 0.00 -1.93 0.00 0.00 57.85 52.53 1x5m n ARG 56 Cb 1.01 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.66 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 0.31 0.00 -3.61 0.55 3.41 -1.26 -2.43 113.62 110.58 1x5m n SER 57 Ca 0.23 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.82 1x5m n SER 57 Cb 0.66 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 -0.72 -0.09 7.33 -0.12 -0.05 -1.44 117.98 120.89 1x5m s PHE 58 Ca 0.00 1.39 -0.02 0.00 -0.05 0.00 0.00 56.93 58.25 1x5m s PHE 58 Cb 0.00 0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 1x5m s PHE 58 CO 0.00 -0.36 0.01 0.16 -0.05 0.00 0.00 175.22 174.98 1x5m s ASP 59 N 1.65 5.26 -0.14 1.98 -4.77 0.54 -0.28 116.67 120.90 1x5m s ASP 59 Ca -0.08 0.15 -0.03 0.00 -3.30 0.00 0.00 52.55 49.29 1x5m s ASP 59 Cb -0.05 -1.50 0.05 0.00 -1.09 0.00 0.00 42.92 40.33 1x5m s ASP 59 CO -0.16 0.37 0.04 -0.22 0.70 0.00 0.00 175.17 175.89 1x5m s LEU 60 N -0.84 0.80 0.06 2.11 0.20 0.56 0.60 118.68 122.18 1x5m s LEU 60 Ca 0.13 -0.51 0.02 0.00 0.69 0.00 0.00 54.13 54.45 1x5m s LEU 60 Cb -0.11 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 1x5m s LEU 60 CO 0.02 -0.28 0.11 -0.22 -0.29 0.00 0.00 176.35 175.70 1x5m s LEU 61 N 1.96 3.96 -0.20 -0.68 1.98 0.48 0.41 118.68 126.59 1x5m s LEU 61 Ca 0.02 0.09 -0.04 0.00 -2.89 0.00 0.00 54.13 51.31 1x5m s LEU 61 Cb -0.15 -2.57 0.10 0.00 0.66 0.00 0.00 46.19 44.23 1x5m s LEU 61 CO -0.07 0.19 0.27 -0.69 -1.89 0.00 0.00 176.35 174.16 1x5m s VAL 62 N -1.39 -0.42 0.37 1.68 1.01 0.66 -1.39 120.40 120.92 1x5m s VAL 62 Ca 0.30 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1x5m s VAL 62 Cb -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1x5m s VAL 62 CO 0.22 -0.11 0.21 -0.54 0.00 0.00 0.00 175.10 174.88 1x5m s LYS 63 N 2.41 2.40 0.00 2.72 1.02 0.84 0.46 119.74 129.58 1x5m s LYS 63 Ca 0.07 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1x5m s LYS 63 Cb -0.15 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1x5m s LYS 63 CO -0.12 0.00 0.00 -1.71 -0.92 0.00 0.00 175.35 172.60 1x5m n ASN 64 N -1.26 -6.21 0.00 2.83 5.15 -1.25 -4.78 115.26 109.74 1x5m n ASN 64 Ca -0.01 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1x5m n ASN 64 Cb 0.62 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1x5m n LEU 65 N 1.27 0.00 -3.91 1.20 7.94 0.63 -4.77 117.00 119.37 1x5m n LEU 65 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1x5m n LEU 65 Cb 0.46 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.39 1x5m n LEU 65 CO 0.00 0.00 2.31 -3.20 -1.11 0.00 0.00 177.39 175.39 1x5m n ASN 66 N 0.00 3.59 -1.21 1.96 2.85 -1.26 -4.02 115.26 117.17 1x5m n ASN 66 Ca 0.00 -2.80 -0.16 0.00 -0.11 0.00 0.00 54.58 51.52 1x5m n ASN 66 Cb 0.00 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.43 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5m n GLY 67 N 4.57 1.60 2.40 8.20 0.00 -1.26 -4.89 105.19 115.81 1x5m n GLY 67 Ca 0.50 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.53 0.46 -4.28 1.61 2.85 -1.26 -5.12 118.16 109.89 1x5m n LYS 68 Ca -0.16 -1.02 -0.23 0.00 -1.05 0.00 0.00 58.31 55.86 1x5m n LYS 68 Cb 0.52 1.35 -0.12 0.00 -0.65 0.00 0.00 35.03 36.13 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 -2.49 2.45 0.06 -5.58 0.01 -1.26 0.23 113.70 107.12 1x5m s SER 69 Ca 0.14 -0.73 0.05 0.00 1.31 0.00 0.00 55.95 56.72 1x5m s SER 69 Cb -0.02 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.05 1x5m s SER 69 CO 0.04 0.01 -0.14 -0.31 0.41 0.00 0.00 173.24 173.25 1x5m s TYR 70 N -1.44 1.20 0.00 2.43 1.51 0.17 0.21 117.35 121.43 1x5m s TYR 70 Ca 0.08 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1x5m s TYR 70 Cb -0.09 -0.69 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1x5m s TYR 70 CO 0.04 0.04 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.90 1x5m s SER 71 N -1.44 1.04 -0.16 2.29 1.04 0.41 -0.25 113.70 116.64 1x5m s SER 71 Ca -0.01 -0.22 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 1x5m s SER 71 Cb -0.09 -0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.01 1x5m s SER 71 CO 0.02 0.07 0.31 -0.32 0.98 0.00 0.00 173.24 174.29 1x5m s MET 72 N -0.43 0.20 0.02 4.02 0.00 0.17 -1.50 119.30 121.78 1x5m s MET 72 Ca 0.02 0.78 0.02 0.00 0.00 0.00 0.00 55.69 56.51 1x5m s MET 72 Cb -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.75 1x5m s MET 72 CO -0.00 -0.31 -0.06 0.42 0.00 0.00 0.00 175.02 175.06 1x5m s ILE 73 N 2.47 0.45 -0.11 10.11 1.01 -1.26 0.21 121.20 134.08 1x5m s ILE 73 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1x5m s ILE 73 Cb -0.12 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.91 1x5m s ILE 73 CO -0.10 -0.13 -0.10 0.68 0.00 0.00 0.00 174.94 175.29 1x5m s VAL 74 N -0.73 1.19 -0.12 2.92 -7.23 0.61 -4.97 120.40 112.06 1x5m s VAL 74 Ca -0.04 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.74 1x5m s VAL 74 Cb -0.06 -1.16 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 1x5m s VAL 74 CO 0.00 0.39 -0.18 0.20 -0.31 0.00 0.00 175.10 175.20 1x5m s ASN 75 N 1.48 3.53 0.00 4.85 0.01 -1.26 -0.87 114.94 122.67 1x5m s ASN 75 Ca 0.02 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1x5m s ASN 75 Cb -0.13 -1.51 0.00 0.00 0.41 0.00 0.00 41.25 40.02 1x5m s ASN 75 CO -0.07 0.15 0.00 0.59 -1.51 0.00 0.00 177.10 176.26 1x5m n ASN 76 N 3.62 -1.78 -4.68 -1.22 3.02 -1.02 -4.81 115.26 108.39 1x5m n ASN 76 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 1x5m n ASN 76 Cb 0.53 -0.89 -0.09 0.00 -0.61 0.00 0.00 39.78 38.72 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 0.00 3.80 0.28 3.41 1.43 -1.15 -2.57 118.68 123.89 1x5m s LEU 77 Ca 0.00 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1x5m s LEU 77 Cb 0.00 -1.92 0.61 0.00 0.03 0.00 0.00 46.19 44.91 1x5m s LEU 77 CO 0.00 0.28 1.48 -0.11 0.23 0.00 0.00 176.35 178.23 1x5m n LEU 78 N 2.80 -0.20 -4.36 1.79 7.94 -1.18 -4.42 117.00 119.37 1x5m n LEU 78 Ca -0.18 1.61 -0.20 0.00 -1.11 0.00 0.00 56.01 56.13 1x5m n LEU 78 Cb 0.53 -0.55 -0.10 0.00 0.53 0.00 0.00 43.42 43.83 1x5m n LEU 78 CO 0.32 -1.60 -0.46 -0.54 -1.11 0.00 0.00 177.39 174.00 1x5m s LYS 79 N -6.03 1.38 0.83 1.96 -0.14 -1.26 -4.95 119.74 111.52 1x5m s LYS 79 Ca -0.13 -1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 52.79 1x5m s LYS 79 Cb 0.27 -1.30 0.09 0.00 -1.68 0.00 0.00 37.83 35.21 1x5m s LYS 79 CO 0.74 0.24 1.11 -1.25 -0.76 0.00 0.00 175.35 175.42 1x5m s PRO 80 N -3.38 1.81 -0.10 -1.68 0.04 -1.26 -4.80 135.00 125.64 1x5m s PRO 80 Ca 0.22 0.53 -0.08 0.00 0.04 0.00 0.00 61.00 61.71 1x5m s PRO 80 Cb -0.03 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1x5m s PRO 80 CO 0.08 -1.79 0.25 0.96 0.04 0.00 0.00 177.00 176.55 1x5m s ILE 81 N -3.20 -0.00 0.14 0.56 -5.25 0.51 -3.21 121.20 110.75 1x5m s ILE 81 Ca 0.62 0.02 -0.31 0.00 -0.99 0.00 0.00 60.65 59.98 1x5m s ILE 81 Cb -0.14 -0.36 -0.08 0.00 2.95 0.00 0.00 42.46 44.83 1x5m s ILE 81 CO 0.54 0.01 1.36 -0.55 -1.79 0.00 0.00 174.94 174.50 1x5m s SER 82 N 0.25 6.85 -0.02 4.36 0.15 -0.98 -3.88 113.70 120.44 1x5m s SER 82 Ca -0.01 2.34 -0.02 0.00 0.70 0.00 0.00 55.95 58.97 1x5m s SER 82 Cb -0.03 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1x5m s SER 82 CO -0.01 -0.61 0.19 0.58 1.20 0.00 0.00 173.24 174.60 1x5m h VAL 83 N 4.09 0.00 -0.20 4.45 2.07 -1.88 0.39 116.25 125.18 1x5m h VAL 83 Ca -0.43 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1x5m h VAL 83 Cb 1.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1x5m h VAL 83 CO 0.83 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 178.61 1x5m h GLU 84 N -0.29 0.00 0.01 1.57 5.08 -1.92 0.77 114.58 119.80 1x5m h GLU 84 Ca -0.01 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1x5m h GLU 84 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1x5m h GLU 84 CO 0.01 0.00 -1.91 0.41 -1.00 0.00 0.00 179.01 176.52 1x5m n GLY 85 N -1.37 -0.95 3.68 -3.84 0.00 -1.23 -4.95 105.19 96.53 1x5m n GLY 85 Ca 0.03 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -6.03 3.21 0.16 1.61 0.01 0.27 -4.59 113.70 108.33 1x5m s SER 86 Ca -0.08 2.28 -0.15 0.00 1.31 0.00 0.00 55.95 59.31 1x5m s SER 86 Cb 0.07 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1x5m s SER 86 CO 0.82 -2.92 0.42 -0.44 0.41 0.00 0.00 173.24 171.53 1x5m s SER 87 N -2.42 -0.19 -0.03 2.44 0.01 0.10 -4.92 113.70 108.69 1x5m s SER 87 Ca 0.70 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.54 1x5m s SER 87 Cb -0.26 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1x5m s SER 87 CO 0.54 -0.93 -0.18 -1.59 0.41 0.00 0.00 173.24 171.49 1x5m s LYS 88 N -3.86 1.69 0.15 12.44 0.00 -1.26 -0.39 119.74 128.51 1x5m s LYS 88 Ca 0.07 -0.65 0.02 0.00 0.00 0.00 0.00 55.97 55.41 1x5m s LYS 88 Cb 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 37.83 36.26 1x5m s LYS 88 CO -0.07 0.33 -0.03 0.15 0.00 0.00 0.00 175.35 175.73 1x5m s LYS 89 N -0.22 1.03 -0.02 1.78 1.02 -0.38 -4.91 119.74 118.04 1x5m s LYS 89 Ca 0.02 -1.47 0.02 0.00 0.02 0.00 0.00 55.97 54.56 1x5m s LYS 89 Cb -0.09 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 1x5m s LYS 89 CO 0.01 -0.06 -0.06 0.08 -0.92 0.00 0.00 175.35 174.40 1x5m s VAL 90 N -3.59 0.50 0.44 3.17 1.01 -1.26 0.20 120.40 120.87 1x5m s VAL 90 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1x5m s VAL 90 Cb 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1x5m s VAL 90 CO 0.01 0.16 0.00 2.29 0.00 0.00 0.00 175.10 177.57 1x5m n LYS 91 N 3.26 0.92 -1.65 2.72 2.85 0.58 -4.83 118.16 122.00 1x5m n LYS 91 Ca -0.17 -3.22 -0.43 0.00 -1.05 0.00 0.00 58.31 53.44 1x5m n LYS 91 Cb 0.56 0.89 -0.03 0.00 -0.65 0.00 0.00 35.03 35.79 1x5m n LYS 91 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1x5m n THR 92 N -1.09 0.70 -2.86 0.58 -1.04 -1.26 -1.45 114.28 107.85 1x5m n THR 92 Ca -0.18 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.53 1x5m n THR 92 Cb 0.56 -2.30 -0.01 0.00 -1.82 0.00 0.00 70.33 66.76 1x5m n THR 92 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1x5m n ASP 93 N 7.96 -2.40 -3.69 8.00 5.68 -1.26 -4.87 116.55 125.97 1x5m n ASP 93 Ca 0.22 0.07 -0.14 0.00 -0.50 0.00 0.00 54.79 54.43 1x5m n ASP 93 Cb 0.40 -2.10 -0.09 0.00 -1.14 0.00 0.00 41.12 38.20 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x5m s THR 94 N -2.48 0.02 -0.14 2.12 2.01 -0.53 -0.92 115.64 115.72 1x5m s THR 94 Ca 0.16 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 1x5m s THR 94 Cb -0.09 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1x5m s THR 94 CO 0.20 -0.08 -0.12 0.54 -0.69 0.00 0.00 174.62 174.47 1x5m s VAL 95 N -0.47 3.08 -0.01 3.82 0.11 -0.77 0.22 120.40 126.38 1x5m s VAL 95 Ca -0.06 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.30 1x5m s VAL 95 Cb -0.03 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.47 1x5m s VAL 95 CO 0.03 0.52 0.20 -0.76 -3.33 0.00 0.00 175.10 171.76 1x5m s LEU 96 N 0.46 4.37 -0.40 2.54 1.43 0.54 -2.34 118.68 125.28 1x5m s LEU 96 Ca -0.09 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1x5m s LEU 96 Cb -0.16 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.61 1x5m s LEU 96 CO 0.04 0.27 0.22 -0.63 0.23 0.00 0.00 176.35 176.49 1x5m s ILE 97 N -1.30 0.90 -0.21 -0.59 -1.09 -0.83 -1.25 121.20 116.84 1x5m s ILE 97 Ca 0.26 -2.19 -0.29 0.00 -2.23 0.00 0.00 60.65 56.21 1x5m s ILE 97 Cb -0.13 -1.64 -0.00 0.00 -1.58 0.00 0.00 42.46 39.11 1x5m s ILE 97 CO 0.17 -0.92 1.18 -0.76 -1.23 0.00 0.00 174.94 173.38 1x5m s LEU 98 N 0.68 4.11 -0.26 2.97 1.43 0.48 -2.03 118.68 126.05 1x5m s LEU 98 Ca 0.17 1.51 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1x5m s LEU 98 Cb -0.24 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1x5m s LEU 98 CO -0.00 -0.77 -0.09 0.00 0.23 0.00 0.00 176.35 175.72 1x5m n ARG 100 N 4.47 1.26 -3.73 0.00 5.12 -1.26 -0.83 116.66 121.70 1x5m n ARG 100 Ca -0.14 0.48 -0.36 0.00 -1.93 0.00 0.00 57.85 55.89 1x5m n ARG 100 Cb 0.43 -2.45 -0.07 0.00 -1.16 0.00 0.00 32.46 29.21 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 -3.03 3.86 0.39 5.56 1.02 -1.26 -2.32 119.74 123.96 1x5m s LYS 101 Ca 0.77 -0.06 0.21 0.00 0.02 0.00 0.00 55.97 56.91 1x5m s LYS 101 Cb -0.41 -3.30 0.66 0.00 -0.52 0.00 0.00 37.83 34.26 1x5m s LYS 101 CO 0.45 0.53 1.71 -0.22 -0.92 0.00 0.00 175.35 176.91 1x5m h LYS 102 N 5.76 0.00 -2.36 1.68 3.64 -1.89 -3.43 116.57 119.97 1x5m h LYS 102 Ca -0.48 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.82 1x5m h LYS 102 Cb 1.19 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.74 1x5m h LYS 102 CO 0.67 0.31 -0.36 0.54 -2.27 0.00 0.00 179.45 178.34 1x5m s VAL 103 N -3.47 -0.69 1.28 2.00 0.11 -1.26 -5.04 120.40 113.32 1x5m s VAL 103 Ca 0.01 0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 1x5m s VAL 103 Cb 0.10 -0.72 0.32 0.00 -1.53 0.00 0.00 36.38 34.54 1x5m s VAL 103 CO 0.67 0.04 1.01 -1.61 -3.33 0.00 0.00 175.10 171.89 1x5m s GLU 104 N 2.64 -1.82 -1.22 1.54 8.01 -1.26 -4.10 118.70 122.49 1x5m s GLU 104 Ca 0.00 0.24 -0.07 0.00 0.01 0.00 0.00 54.97 55.15 1x5m s GLU 104 Cb -0.12 -1.50 -0.01 0.00 -4.31 0.00 0.00 34.13 28.18 1x5m s GLU 104 CO -0.14 -4.17 0.75 0.09 0.01 0.00 0.00 175.26 171.81 1x5m n ASN 105 N -5.14 -3.28 -3.81 -0.19 3.02 -1.26 -4.94 115.26 99.66 1x5m n ASN 105 Ca 0.10 -0.87 -0.17 0.00 -0.03 0.00 0.00 54.58 53.62 1x5m n ASN 105 Cb 0.59 -4.02 -0.16 0.00 -0.61 0.00 0.00 39.78 35.58 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x5m s THR 106 N -3.57 0.14 0.31 3.41 2.01 -1.26 -5.07 115.64 111.61 1x5m s THR 106 Ca 0.22 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1x5m s THR 106 Cb -0.06 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 1x5m s THR 106 CO 0.82 0.14 0.59 -0.60 -0.69 0.00 0.00 174.62 174.87 1x5m s ARG 107 N 1.04 3.64 -0.38 4.92 6.06 -1.26 -4.63 118.95 128.35 1x5m s ARG 107 Ca -0.09 0.05 0.03 0.00 -2.50 0.00 0.00 55.73 53.22 1x5m s ARG 107 Cb -0.13 -2.61 0.11 0.00 0.06 0.00 0.00 34.95 32.38 1x5m s ARG 107 CO -0.02 0.16 0.12 -1.58 -2.50 0.00 0.00 175.30 171.49 1x5m s TRP 108 N -2.15 2.98 0.32 5.12 0.52 -1.26 -4.93 118.94 119.54 1x5m s TRP 108 Ca 0.45 -2.69 0.38 0.00 0.02 0.00 0.00 56.10 54.26 1x5m s TRP 108 Cb -0.11 -2.51 1.87 0.00 -1.15 0.00 0.00 33.47 31.57 1x5m s TRP 108 CO 0.31 -0.87 2.14 -0.44 0.02 0.00 0.00 176.95 178.10 1x5m h ASP 109 N 7.40 0.00 -3.92 2.95 3.32 -1.97 -3.43 116.42 120.78 1x5m h ASP 109 Ca -0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1x5m h ASP 109 Cb 0.98 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.31 1x5m h ASP 109 CO 0.54 0.00 0.25 -0.31 -1.72 0.00 0.00 179.24 178.00 1x5m s TYR 110 N -3.88 -0.66 0.28 4.55 2.02 -1.26 -4.93 117.35 113.47 1x5m s TYR 110 Ca -0.02 1.53 0.02 0.00 -0.37 0.00 0.00 57.07 58.23 1x5m s TYR 110 Cb 0.11 0.33 0.66 0.00 -0.40 0.00 0.00 41.96 42.65 1x5m s TYR 110 CO 0.44 -0.37 1.74 1.25 -1.57 0.00 0.00 175.55 177.04 1x5m h LEU 111 N 4.36 0.49 -9.48 -1.29 6.46 -1.96 -3.36 115.31 110.53 1x5m h LEU 111 Ca -0.28 0.12 -0.55 0.00 -0.12 0.00 0.00 57.88 57.05 1x5m h LEU 111 Cb 1.16 0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 41.01 1x5m h LEU 111 CO 0.13 0.13 -0.56 0.42 -0.62 0.00 0.00 178.44 177.94 1x5m s THR 112 N -5.91 1.10 0.09 1.05 -4.23 -1.26 -3.12 115.64 103.35 1x5m s THR 112 Ca -0.12 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1x5m s THR 112 Cb 0.24 -2.58 -0.27 0.00 1.34 0.00 0.00 72.50 71.24 1x5m s THR 112 CO 0.78 0.00 1.17 1.56 -0.54 0.00 0.00 174.62 177.60 1x5m h GLN 113 N 1.84 0.22 -0.03 3.99 4.20 -1.76 -3.30 115.11 120.27 1x5m h GLN 113 Ca -0.40 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 57.95 1x5m h GLN 113 Cb 1.26 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.14 1x5m h GLN 113 CO 0.68 1.18 -0.38 0.28 -0.67 0.00 0.00 178.83 179.92 1x5m h VAL 114 N 0.06 0.00 -0.77 -0.54 2.07 -1.90 -1.06 116.25 114.11 1x5m h VAL 114 Ca -0.11 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.55 1x5m h VAL 114 Cb 1.92 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.55 1x5m h VAL 114 CO 0.19 0.00 -0.30 -0.08 0.02 0.00 0.00 177.57 177.40 1x5m h GLU 115 N -0.45 -0.06 -0.31 1.57 4.81 -1.96 0.48 114.58 118.65 1x5m h GLU 115 Ca 0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1x5m h GLU 115 Cb 0.49 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1x5m h GLU 115 CO -0.26 -0.04 -0.38 -0.22 -0.73 0.00 0.00 179.01 177.38 1x5m h LYS 116 N -0.06 -0.24 0.38 1.92 3.64 -1.39 1.14 116.57 121.97 1x5m h LYS 116 Ca 0.32 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1x5m h LYS 116 Cb 0.58 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1x5m h LYS 116 CO -0.81 -0.16 -0.49 0.93 -2.27 0.00 0.00 179.45 176.65 1x5m h GLU 117 N -0.25 -0.87 -0.75 1.90 4.39 0.15 0.12 114.58 119.28 1x5m h GLU 117 Ca 0.05 0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.90 1x5m h GLU 117 Cb 0.39 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.13 1x5m h GLU 117 CO -0.42 -0.58 -0.53 0.00 -1.16 0.00 0.00 179.01 176.32 1x5m h LYS 119 N -0.16 -0.33 -5.63 0.00 1.79 0.17 -3.17 116.57 109.24 1x5m h LYS 119 Ca 0.16 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.99 1x5m h LYS 119 Cb 0.51 0.08 -0.12 0.00 -1.58 0.00 0.00 32.23 31.12 1x5m h LYS 119 CO -0.80 -0.22 1.59 -1.21 -1.08 0.00 0.00 179.45 177.73 1x5m s GLU 120 N -4.68 3.80 -0.09 3.15 0.41 0.40 -4.73 118.70 116.95 1x5m s GLU 120 Ca -0.10 -1.74 -0.06 0.00 -0.41 0.00 0.00 54.97 52.67 1x5m s GLU 120 Cb 0.05 -5.29 -0.02 0.00 -1.78 0.00 0.00 34.13 27.08 1x5m s GLU 120 CO 0.38 -2.08 -0.12 1.17 -0.49 0.00 0.00 175.26 174.12 1x5m n LYS 121 N 7.83 0.29 -3.40 1.61 4.81 -1.16 -4.68 118.16 123.46 1x5m n LYS 121 Ca 0.37 0.39 -0.14 0.00 -0.87 0.00 0.00 58.31 58.06 1x5m n LYS 121 Cb 0.48 -1.31 -0.09 0.00 0.02 0.00 0.00 35.03 34.13 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x5m s SER 122 N -4.93 1.09 0.00 3.14 0.15 -1.26 -5.09 113.70 106.80 1x5m s SER 122 Ca -0.10 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1x5m s SER 122 Cb 0.01 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1x5m s SER 122 CO 0.15 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1x5m n GLY 123 N 5.33 2.92 3.56 9.45 0.00 -1.26 -4.96 105.19 120.23 1x5m n GLY 123 Ca -0.03 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1x5m n GLY 123 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5m s PRO 124 N -4.96 3.11 -0.03 1.61 0.04 -1.26 -4.92 135.00 128.59 1x5m s PRO 124 Ca 0.00 -0.88 0.02 0.00 0.04 0.00 0.00 61.00 60.18 1x5m s PRO 124 Cb 0.00 -5.25 -0.03 0.00 0.04 0.00 0.00 34.50 29.26 1x5m s PRO 124 CO 0.00 -2.85 -0.05 -1.12 0.04 0.00 0.00 177.00 173.02 1x5m s SER 125 N 6.26 4.76 -0.37 6.66 0.01 -1.26 -5.09 113.70 124.67 1x5m s SER 125 Ca 0.58 -0.06 -0.19 0.00 1.31 0.00 0.00 55.95 57.59 1x5m s SER 125 Cb -0.02 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.03 1x5m s SER 125 CO -0.02 0.32 0.58 -0.94 0.41 0.00 0.00 173.24 173.58 1x5m s SER 126 N -1.19 6.36 0.00 2.44 1.04 -1.26 -5.00 113.70 116.09 1x5m s SER 126 Ca 0.16 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1x5m s SER 126 Cb -0.11 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1x5m s SER 126 CO 0.05 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.31