#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 6.54 -0.04 1.61 0.01 -1.26 -5.02 113.70 115.54 1x5m s SER 2 Ca 0.00 1.22 -0.08 0.00 1.31 0.00 0.00 55.95 58.40 1x5m s SER 2 Cb 0.00 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 1x5m s SER 2 CO 0.00 -0.44 -0.16 -1.20 0.41 0.00 0.00 173.24 171.85 1x5m n SER 3 N -1.37 1.44 0.00 2.44 7.64 -1.26 -5.08 113.62 117.43 1x5m n SER 3 Ca 0.03 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1x5m n SER 3 Cb 0.54 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 2.52 2.71 5.44 0.23 0.00 -1.26 -5.04 105.19 109.79 1x5m n GLY 4 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1x5m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5m n SER 5 N 0.00 0.00 0.10 1.61 7.64 -1.26 -3.37 113.62 118.34 1x5m n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1x5m n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1x5m n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5m n SER 6 N 3.63 0.12 0.00 6.43 2.88 -1.26 -5.17 113.62 120.25 1x5m n SER 6 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x5m n SER 6 Cb 0.00 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5m n GLY 7 N 2.03 -0.91 2.82 0.46 0.00 -1.22 -4.96 105.19 103.41 1x5m n GLY 7 Ca 0.00 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.23 0.82 -0.03 1.61 1.01 -1.26 -5.12 120.40 115.21 1x5m s VAL 8 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1x5m s VAL 8 Cb 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.27 1x5m s VAL 8 CO 0.00 0.00 -0.05 0.54 0.00 0.00 0.00 175.10 175.60 1x5m s VAL 9 N 1.74 0.48 -0.22 2.92 0.11 -1.26 -5.13 120.40 119.04 1x5m s VAL 9 Ca 0.00 -0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 1x5m s VAL 9 Cb -0.16 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 1x5m s VAL 9 CO -0.07 0.19 0.05 0.00 -3.33 0.00 0.00 175.10 171.94 1x5m s ALA 10 N 0.58 3.20 1.02 1.54 0.00 -1.26 -5.10 121.76 121.74 1x5m s ALA 10 Ca -0.07 -0.99 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 1x5m s ALA 10 Cb -0.11 -1.96 0.20 0.00 0.00 0.00 0.00 23.12 21.25 1x5m s ALA 10 CO -0.00 -0.22 1.19 -1.25 0.00 0.00 0.00 175.76 175.47 1x5m s PRO 11 N 1.13 0.26 0.85 0.00 0.04 -1.26 -5.02 135.00 131.00 1x5m s PRO 11 Ca 0.04 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 60.93 1x5m s PRO 11 Cb -0.14 -1.77 0.10 0.00 0.04 0.00 0.00 34.50 32.73 1x5m s PRO 11 CO 0.03 -2.73 1.12 0.96 0.04 0.00 0.00 177.00 176.41 1x5m s ILE 12 N -3.39 2.69 -0.19 0.56 -4.36 -1.26 -5.03 121.20 110.22 1x5m s ILE 12 Ca 0.69 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 61.31 1x5m s ILE 12 Cb -0.10 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.17 1x5m s ILE 12 CO 0.54 -0.29 -0.09 0.42 0.24 0.00 0.00 174.94 175.76 1x5m s THR 13 N -2.78 1.48 0.00 8.37 -4.23 -1.26 -5.08 115.64 112.14 1x5m s THR 13 Ca 0.64 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1x5m s THR 13 Cb -0.20 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1x5m s THR 13 CO 0.57 0.15 0.00 0.35 -0.54 0.00 0.00 174.62 175.16 1x5m n THR 14 N 4.74 0.00 -0.03 3.99 -2.24 -1.26 -5.00 114.28 114.48 1x5m n THR 14 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1x5m n THR 14 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5m n GLY 15 N 0.00 -1.04 3.68 3.38 0.00 -1.26 -5.15 105.19 104.80 1x5m n GLY 15 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.49 -0.04 0.04 1.61 1.13 -1.26 -5.18 117.35 113.16 1x5m s TYR 16 Ca 0.00 -0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.60 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 -0.36 -0.10 0.99 -2.51 0.00 0.00 175.55 173.57 1x5m s THR 17 N -2.47 0.75 0.58 -3.49 2.01 -1.26 -4.63 115.64 107.13 1x5m s THR 17 Ca 0.16 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.04 1x5m s THR 17 Cb 0.03 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1x5m s THR 17 CO -0.03 -0.19 1.04 -0.69 -0.69 0.00 0.00 174.62 174.06 1x5m s VAL 18 N -1.04 4.08 -0.22 3.82 1.01 0.51 -4.77 120.40 123.80 1x5m s VAL 18 Ca -0.04 0.94 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 1x5m s VAL 18 Cb -0.08 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1x5m s VAL 18 CO 0.01 -0.63 0.07 -1.59 0.00 0.00 0.00 175.10 172.96 1x5m s LYS 19 N -4.23 3.77 -0.93 2.72 -2.85 -1.26 0.19 119.74 117.16 1x5m s LYS 19 Ca 0.61 -0.43 -0.22 0.00 -1.00 0.00 0.00 55.97 54.93 1x5m s LYS 19 Cb -0.14 -3.28 0.08 0.00 -2.06 0.00 0.00 37.83 32.43 1x5m s LYS 19 CO 0.38 -0.01 1.28 0.42 0.10 0.00 0.00 175.35 177.52 1x5m s ILE 20 N 1.14 4.21 -0.09 3.79 1.01 -0.27 -4.82 121.20 126.17 1x5m s ILE 20 Ca 0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1x5m s ILE 20 Cb -0.14 -4.92 -0.04 0.00 0.01 0.00 0.00 42.46 37.37 1x5m s ILE 20 CO 0.03 -1.74 0.19 0.28 0.00 0.00 0.00 174.94 173.70 1x5m h SER 21 N 9.48 -0.09 -3.25 3.58 0.02 -1.96 -3.44 113.55 117.90 1x5m h SER 21 Ca 0.09 -0.07 -0.59 0.00 -0.84 0.00 0.00 61.79 60.38 1x5m h SER 21 Cb 1.02 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.51 1x5m h SER 21 CO 1.28 0.43 0.57 0.21 -1.14 0.00 0.00 176.83 178.18 1x5m s ASN 22 N -5.47 6.89 -0.14 3.07 3.84 -1.26 -5.01 114.94 116.85 1x5m s ASN 22 Ca -0.03 1.09 -0.09 0.00 0.21 0.00 0.00 52.86 54.04 1x5m s ASN 22 Cb -0.00 -2.47 0.05 0.00 -0.55 0.00 0.00 41.25 38.28 1x5m s ASN 22 CO 0.10 -0.58 0.34 -0.72 -2.79 0.00 0.00 177.10 173.45 1x5m s TYR 23 N 2.99 -0.46 0.09 0.43 -0.85 -1.26 -4.78 117.35 113.50 1x5m s TYR 23 Ca 0.38 1.05 -0.27 0.00 -0.52 0.00 0.00 57.07 57.70 1x5m s TYR 23 Cb -0.15 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.30 1x5m s TYR 23 CO 0.08 -0.27 0.85 0.20 -1.52 0.00 0.00 175.55 174.89 1x5m s GLY 24 N 1.05 2.90 0.01 5.49 0.00 -0.47 -4.96 107.32 111.33 1x5m s GLY 24 Ca -0.07 0.42 -0.03 0.00 0.00 0.00 0.00 44.72 45.03 1x5m s GLY 24 CO -0.08 1.22 0.05 0.66 0.00 0.00 0.00 173.10 174.95 1x5m s TRP 25 N -0.16 0.13 0.01 1.90 1.48 -1.26 0.17 118.94 121.20 1x5m s TRP 25 Ca 0.42 -0.27 -0.08 0.00 -1.06 0.00 0.00 56.10 55.11 1x5m s TRP 25 Cb -0.22 -0.10 0.00 0.00 -1.16 0.00 0.00 33.47 31.99 1x5m s TRP 25 CO 0.26 -0.20 0.14 -0.51 -4.06 0.00 0.00 176.95 172.59 1x5m s ASP 26 N -1.18 0.04 0.04 -2.66 1.11 -0.46 -4.93 116.67 108.62 1x5m s ASP 26 Ca -0.13 -0.25 0.05 0.00 0.18 0.00 0.00 52.55 52.40 1x5m s ASP 26 Cb -0.08 0.22 -0.02 0.00 1.07 0.00 0.00 42.92 44.11 1x5m s ASP 26 CO 0.00 -0.40 -0.14 0.00 1.18 0.00 0.00 175.17 175.80 1x5m s GLN 27 N -1.61 0.96 0.02 8.23 0.00 -1.26 -2.25 119.66 123.75 1x5m s GLN 27 Ca -0.13 -0.77 -0.00 0.00 -0.00 0.00 0.00 55.36 54.46 1x5m s GLN 27 Cb -0.06 -0.98 -0.02 0.00 0.00 0.00 0.00 33.01 31.95 1x5m s GLN 27 CO 0.01 0.24 -0.03 -1.12 0.00 0.00 0.00 175.29 174.39 1x5m s SER 28 N -1.13 0.27 -1.03 12.60 0.01 -1.01 -4.97 113.70 118.44 1x5m s SER 28 Ca 0.02 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.47 1x5m s SER 28 Cb -0.08 0.11 -0.20 0.00 0.21 0.00 0.00 66.02 66.06 1x5m s SER 28 CO 0.01 -0.33 2.01 0.47 0.41 0.00 0.00 173.24 175.81 1x5m n ASP 29 N 1.45 1.94 0.00 2.44 8.00 -1.26 -2.00 116.55 127.11 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 -1.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 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 8.13 0.00 -3.77 -1.24 5.02 -1.26 -4.46 118.16 120.58 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 -0.10 -0.03 2.13 0.08 -0.85 -4.09 117.98 115.13 1x5m s PHE 31 Ca 0.00 -0.26 0.03 0.00 0.12 0.00 0.00 56.93 56.82 1x5m s PHE 31 Cb 0.00 0.42 -0.03 0.00 -0.57 0.00 0.00 43.02 42.84 1x5m s PHE 31 CO 0.00 -0.97 -0.09 0.08 -0.10 0.00 0.00 175.22 174.15 1x5m s VAL 32 N -3.89 3.53 -0.01 -0.44 1.01 0.48 -2.39 120.40 118.69 1x5m s VAL 32 Ca 0.10 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.32 1x5m s VAL 32 Cb -0.02 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1x5m s VAL 32 CO -0.01 0.50 0.17 -0.75 0.00 0.00 0.00 175.10 175.01 1x5m s LYS 33 N -1.08 0.50 0.08 2.72 2.20 -0.95 0.18 119.74 123.38 1x5m s LYS 33 Ca 0.14 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 55.51 1x5m s LYS 33 Cb -0.11 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1x5m s LYS 33 CO 0.04 -0.12 -0.21 0.42 -0.36 0.00 0.00 175.35 175.12 1x5m s ILE 34 N -1.27 1.70 -0.23 5.43 1.09 -0.92 -1.35 121.20 125.66 1x5m s ILE 34 Ca -0.13 -1.40 -0.01 0.00 -1.10 0.00 0.00 60.65 58.00 1x5m s ILE 34 Cb -0.07 -1.52 0.07 0.00 -1.06 0.00 0.00 42.46 39.88 1x5m s ILE 34 CO 0.02 0.06 0.02 -0.31 -0.10 0.00 0.00 174.94 174.62 1x5m s TYR 35 N -1.00 1.60 0.04 3.97 1.51 0.45 -2.05 117.35 121.87 1x5m s TYR 35 Ca 0.07 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.85 1x5m s TYR 35 Cb -0.09 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1x5m s TYR 35 CO 0.03 -0.71 0.05 0.42 -1.11 0.00 0.00 175.55 174.23 1x5m s ILE 36 N 1.66 4.39 -0.54 2.71 1.09 -0.96 -1.37 121.20 128.18 1x5m s ILE 36 Ca -0.01 -0.69 -0.19 0.00 -1.10 0.00 0.00 60.65 58.65 1x5m s ILE 36 Cb -0.18 -3.05 0.07 0.00 -1.06 0.00 0.00 42.46 38.24 1x5m s ILE 36 CO -0.10 0.23 0.67 -0.89 -0.10 0.00 0.00 174.94 174.75 1x5m s THR 37 N -1.26 4.82 -0.31 2.92 2.01 -1.26 -1.53 115.64 121.04 1x5m s THR 37 Ca 0.25 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 1x5m s THR 37 Cb -0.12 -4.37 0.10 0.00 0.01 0.00 0.00 72.50 68.12 1x5m s THR 37 CO 0.17 -0.92 0.11 -0.22 -0.69 0.00 0.00 174.62 173.07 1x5m s LEU 38 N 2.74 1.61 -0.40 4.42 1.98 -0.43 -4.94 118.68 123.67 1x5m s LEU 38 Ca 0.15 -1.54 -0.29 0.00 -2.89 0.00 0.00 54.13 49.57 1x5m s LEU 38 Cb -0.20 -0.67 0.01 0.00 0.66 0.00 0.00 46.19 45.98 1x5m s LEU 38 CO 0.11 -0.42 1.38 -0.89 -1.89 0.00 0.00 176.35 174.64 1x5m s THR 39 N 1.77 3.95 0.00 3.68 2.01 -1.25 -2.59 115.64 123.21 1x5m s THR 39 Ca 0.10 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1x5m s THR 39 Cb -0.17 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1x5m s THR 39 CO -0.29 -0.72 0.00 0.61 -0.69 0.00 0.00 174.62 173.53 1x5m n GLY 40 N 4.94 1.28 0.34 4.40 0.00 -1.26 -4.11 105.19 110.78 1x5m n GLY 40 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 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 0.33 -0.09 1.61 3.04 -1.86 1.43 116.25 120.72 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 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 1x5m h VAL 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1x5m n HIS 42 N -3.56 0.11 -0.02 3.17 1.44 -1.26 -3.56 115.22 111.53 1x5m n HIS 42 Ca 0.00 -0.06 -0.00 0.00 -2.01 0.00 0.00 57.72 55.65 1x5m n HIS 42 Cb 0.29 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 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 0.06 1.80 -2.31 -1.40 6.02 0.47 -4.99 117.38 117.03 1x5m n GLN 43 Ca 0.17 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 1x5m n GLN 43 Cb 0.29 -1.17 -0.02 0.00 1.02 0.00 0.00 30.24 30.36 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 -2.29 4.29 0.89 5.09 -7.23 -0.09 -5.05 120.40 116.00 1x5m s VAL 44 Ca -0.03 1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 61.14 1x5m s VAL 44 Cb 0.03 -3.61 0.12 0.00 0.56 0.00 0.00 36.38 33.48 1x5m s VAL 44 CO 0.28 -0.61 1.13 -2.16 -0.31 0.00 0.00 175.10 173.43 1x5m s PRO 45 N -4.02 1.35 0.00 4.82 0.04 -1.26 -4.92 135.00 131.01 1x5m s PRO 45 Ca 0.61 0.36 0.22 0.00 0.04 0.00 0.00 61.00 62.22 1x5m s PRO 45 Cb -0.12 -1.86 1.17 0.00 0.04 0.00 0.00 34.50 33.73 1x5m s PRO 45 CO 0.32 -2.07 1.69 -2.37 0.04 0.00 0.00 177.00 174.61 1x5m n THR 46 N -3.69 0.22 0.72 1.26 5.66 -1.26 -2.09 114.28 115.10 1x5m n THR 46 Ca 0.07 0.05 0.12 0.00 -3.05 0.00 0.00 64.05 61.25 1x5m n THR 46 Cb 0.59 -0.70 0.30 0.00 -1.55 0.00 0.00 70.33 68.96 1x5m n THR 46 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1x5m n GLU 47 N -1.18 0.19 -0.06 1.09 0.28 -1.26 -3.22 120.64 116.47 1x5m n GLU 47 Ca 0.12 0.09 0.09 0.00 -0.16 0.00 0.00 57.16 57.30 1x5m n GLU 47 Cb 0.14 -1.65 0.11 0.00 1.43 0.00 0.00 31.44 31.47 1x5m n GLU 47 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1x5m n ASN 48 N -1.95 2.74 -4.03 -1.84 3.02 -0.89 -4.80 115.26 107.52 1x5m n ASN 48 Ca 0.05 -1.81 -0.31 0.00 -0.03 0.00 0.00 54.58 52.47 1x5m n ASN 48 Cb 0.40 -0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.41 2.27 -0.25 2.41 1.01 -1.20 -0.21 120.40 123.02 1x5m s VAL 49 Ca 0.25 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 59.99 1x5m s VAL 49 Cb 0.16 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1x5m s VAL 49 CO 0.24 -0.51 -0.07 -1.10 0.00 0.00 0.00 175.10 173.66 1x5m s GLN 50 N 0.93 2.77 -0.01 2.72 -0.21 -0.72 -4.91 119.66 120.23 1x5m s GLN 50 Ca 0.08 -1.02 0.02 0.00 0.02 0.00 0.00 55.36 54.46 1x5m s GLN 50 Cb -0.19 -2.97 -0.00 0.00 1.00 0.00 0.00 33.01 30.84 1x5m s GLN 50 CO -0.07 -0.42 -0.07 0.54 -2.12 0.00 0.00 175.29 173.15 1x5m s VAL 51 N 1.30 0.57 -0.04 1.09 0.11 -1.26 0.20 120.40 122.38 1x5m s VAL 51 Ca -0.01 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.77 1x5m s VAL 51 Cb -0.17 -0.48 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 1x5m s VAL 51 CO -0.05 0.16 -0.11 -2.28 -3.33 0.00 0.00 175.10 169.49 1x5m s HIS 52 N -0.15 1.26 -0.00 1.54 5.04 0.88 -4.96 115.29 118.90 1x5m s HIS 52 Ca 0.02 -0.38 -0.02 0.00 -1.54 0.00 0.00 55.06 53.15 1x5m s HIS 52 Cb -0.03 -0.90 -0.04 0.00 0.04 0.00 0.00 32.58 31.65 1x5m s HIS 52 CO -0.00 -0.17 0.15 -0.06 -2.34 0.00 0.00 174.74 172.32 1x5m s PHE 53 N 0.34 3.47 0.00 3.88 0.08 -1.26 -0.17 117.98 124.31 1x5m s PHE 53 Ca -0.07 0.31 0.00 0.00 0.12 0.00 0.00 56.93 57.28 1x5m s PHE 53 Cb -0.12 -1.80 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1x5m s PHE 53 CO 0.02 0.62 0.00 0.25 -0.10 0.00 0.00 175.22 176.00 1x5m n THR 54 N 0.99 0.00 0.00 0.64 -2.24 -0.29 -4.78 114.28 108.60 1x5m n THR 54 Ca -0.11 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.49 1x5m n THR 54 Cb 0.53 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.62 -1.37 -0.78 4.11 -1.95 -3.38 114.58 111.82 1x5m h GLU 55 Ca 0.00 -0.59 -0.40 0.00 0.07 0.00 0.00 59.36 58.44 1x5m h GLU 55 Cb 0.00 0.15 -0.38 0.00 0.50 0.00 0.00 28.75 29.02 1x5m h GLU 55 CO 0.00 1.20 -1.14 0.54 0.07 0.00 0.00 179.01 179.68 1x5m n ARG 56 N -4.04 1.06 0.00 1.06 5.12 -1.26 0.17 116.66 118.77 1x5m n ARG 56 Ca -0.09 -3.21 0.00 0.00 -1.93 0.00 0.00 57.85 52.61 1x5m n ARG 56 Cb 0.74 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 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 0.09 0.00 -3.57 0.55 3.41 -1.26 -2.60 113.62 110.24 1x5m n SER 57 Ca 0.16 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1x5m n SER 57 Cb 0.75 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.50 0.03 7.33 -0.12 -0.86 -1.14 117.98 120.72 1x5m s PHE 58 Ca 0.00 0.96 0.00 0.00 -0.05 0.00 0.00 56.93 57.84 1x5m s PHE 58 Cb 0.00 0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 42.65 1x5m s PHE 58 CO 0.00 -0.25 0.12 0.16 -0.05 0.00 0.00 175.22 175.20 1x5m s ASP 59 N 1.58 5.85 -0.16 1.98 -4.77 0.75 -1.35 116.67 120.56 1x5m s ASP 59 Ca -0.07 0.16 -0.04 0.00 -3.30 0.00 0.00 52.55 49.29 1x5m s ASP 59 Cb -0.04 -1.70 0.08 0.00 -1.09 0.00 0.00 42.92 40.17 1x5m s ASP 59 CO -0.15 0.23 0.26 -0.22 0.70 0.00 0.00 175.17 175.99 1x5m s LEU 60 N -2.05 -0.27 0.11 2.11 0.20 0.29 -0.08 118.68 118.99 1x5m s LEU 60 Ca 0.27 0.31 0.06 0.00 0.69 0.00 0.00 54.13 55.45 1x5m s LEU 60 Cb -0.12 0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 46.23 1x5m s LEU 60 CO 0.19 -0.27 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.75 1x5m s LEU 61 N 2.40 3.38 -0.18 -0.68 1.98 0.54 0.41 118.68 126.53 1x5m s LEU 61 Ca 0.04 -0.24 -0.04 0.00 -2.89 0.00 0.00 54.13 51.00 1x5m s LEU 61 Cb -0.13 -2.11 0.08 0.00 0.66 0.00 0.00 46.19 44.69 1x5m s LEU 61 CO -0.10 0.16 0.21 -0.69 -1.89 0.00 0.00 176.35 174.03 1x5m s VAL 62 N -1.38 -0.31 0.23 1.68 1.01 0.91 -1.76 120.40 120.78 1x5m s VAL 62 Ca 0.26 -0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.28 1x5m s VAL 62 Cb -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1x5m s VAL 62 CO 0.18 -0.14 0.11 -0.54 0.00 0.00 0.00 175.10 174.71 1x5m s LYS 63 N 2.32 2.70 -0.06 2.72 1.02 0.70 0.23 119.74 129.37 1x5m s LYS 63 Ca 0.06 -1.12 -0.02 0.00 0.02 0.00 0.00 55.97 54.91 1x5m s LYS 63 Cb -0.15 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1x5m s LYS 63 CO -0.11 0.41 0.03 -1.71 -0.92 0.00 0.00 175.35 173.06 1x5m n ASN 64 N -0.84 -6.40 0.00 2.83 2.85 -1.25 -4.78 115.26 107.67 1x5m n ASN 64 Ca -0.08 0.85 0.00 0.00 -0.11 0.00 0.00 54.58 55.24 1x5m n ASN 64 Cb 0.57 -2.47 0.00 0.00 1.24 0.00 0.00 39.78 39.12 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 1.74 0.00 -3.79 1.20 7.94 0.62 -4.79 117.00 119.93 1x5m n LEU 65 Ca -0.05 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.43 1x5m n LEU 65 Cb 0.27 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.19 1x5m n LEU 65 CO 0.10 0.00 2.28 -3.20 -1.11 0.00 0.00 177.39 175.46 1x5m n ASN 66 N 0.00 3.21 -0.78 1.96 2.85 -1.26 -3.96 115.26 117.28 1x5m n ASN 66 Ca 0.00 -2.76 -0.10 0.00 -0.11 0.00 0.00 54.58 51.61 1x5m n ASN 66 Cb 0.00 -1.40 -0.04 0.00 1.24 0.00 0.00 39.78 39.58 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 4.51 1.09 3.72 8.20 0.00 -1.26 -4.90 105.19 116.55 1x5m n GLY 67 Ca 0.50 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.81 0.80 -4.42 1.61 2.85 -1.25 -5.12 118.16 110.81 1x5m n LYS 68 Ca -0.10 -1.69 -0.27 0.00 -1.05 0.00 0.00 58.31 55.19 1x5m n LYS 68 Cb 0.45 2.21 -0.13 0.00 -0.65 0.00 0.00 35.03 36.91 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5m s SER 69 N -3.25 3.01 0.09 -5.58 1.04 -1.26 0.23 113.70 107.98 1x5m s SER 69 Ca 0.20 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 56.00 1x5m s SER 69 Cb -0.03 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1x5m s SER 69 CO 0.08 0.15 -0.18 -0.31 0.98 0.00 0.00 173.24 173.95 1x5m s TYR 70 N -1.05 1.58 0.01 5.02 1.51 0.14 0.19 117.35 124.75 1x5m s TYR 70 Ca 0.11 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1x5m s TYR 70 Cb -0.10 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1x5m s TYR 70 CO 0.05 0.15 -0.10 -1.54 -1.11 0.00 0.00 175.55 173.00 1x5m s SER 71 N -1.83 1.11 -0.12 2.29 1.04 0.52 -0.06 113.70 116.64 1x5m s SER 71 Ca 0.03 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.14 1x5m s SER 71 Cb -0.10 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.00 1x5m s SER 71 CO 0.03 0.04 0.26 -0.32 0.98 0.00 0.00 173.24 174.23 1x5m s MET 72 N -0.61 0.15 0.03 4.02 0.00 0.16 -1.12 119.30 121.93 1x5m s MET 72 Ca 0.01 0.72 0.03 0.00 0.00 0.00 0.00 55.69 56.44 1x5m s MET 72 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 34.83 34.70 1x5m s MET 72 CO 0.00 -0.27 -0.09 0.42 0.00 0.00 0.00 175.02 175.08 1x5m s ILE 73 N 2.29 0.64 -0.07 10.11 1.01 -1.26 0.11 121.20 134.03 1x5m s ILE 73 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1x5m s ILE 73 Cb -0.12 -0.64 0.02 0.00 0.01 0.00 0.00 42.46 41.73 1x5m s ILE 73 CO -0.08 -0.17 -0.09 0.68 0.00 0.00 0.00 174.94 175.27 1x5m s VAL 74 N -0.95 0.96 -0.08 2.92 -7.23 -0.46 -4.99 120.40 110.57 1x5m s VAL 74 Ca -0.04 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 1x5m s VAL 74 Cb -0.08 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.96 1x5m s VAL 74 CO 0.00 0.32 -0.13 0.20 -0.31 0.00 0.00 175.10 175.19 1x5m s ASN 75 N 0.91 1.96 0.00 4.85 0.01 -1.26 -2.03 114.94 119.39 1x5m s ASN 75 Ca -0.10 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1x5m s ASN 75 Cb -0.15 -0.89 0.00 0.00 0.41 0.00 0.00 41.25 40.62 1x5m s ASN 75 CO 0.01 0.03 0.00 0.59 -1.51 0.00 0.00 177.10 176.22 1x5m n ASN 76 N 3.93 -1.48 -4.74 -1.22 3.02 -1.15 -4.81 115.26 108.81 1x5m n ASN 76 Ca -0.21 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.97 1x5m n ASN 76 Cb 0.52 -0.74 -0.07 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.43 4.28 0.30 3.41 1.43 -1.07 -1.78 118.68 124.83 1x5m s LEU 77 Ca 0.00 0.60 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1x5m s LEU 77 Cb 0.00 -2.43 0.74 0.00 0.03 0.00 0.00 46.19 44.53 1x5m s LEU 77 CO 0.00 0.12 1.52 -0.11 0.23 0.00 0.00 176.35 178.11 1x5m n LEU 78 N 3.34 -0.12 -4.32 1.79 7.94 -1.22 -4.44 117.00 119.96 1x5m n LEU 78 Ca -0.12 1.65 -0.18 0.00 -1.11 0.00 0.00 56.01 56.26 1x5m n LEU 78 Cb 0.52 -0.60 -0.10 0.00 0.53 0.00 0.00 43.42 43.77 1x5m n LEU 78 CO 0.40 -1.67 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.03 1x5m s LYS 79 N -5.97 1.27 0.84 1.96 -0.14 -1.26 -4.92 119.74 111.52 1x5m s LYS 79 Ca -0.13 -1.56 -0.12 0.00 -1.36 0.00 0.00 55.97 52.81 1x5m s LYS 79 Cb 0.29 -1.02 0.09 0.00 -1.68 0.00 0.00 37.83 35.51 1x5m s LYS 79 CO 0.76 0.16 1.11 -1.25 -0.76 0.00 0.00 175.35 175.37 1x5m s PRO 80 N -3.65 1.76 -0.13 -1.68 0.04 -1.26 -4.79 135.00 125.30 1x5m s PRO 80 Ca 0.21 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1x5m s PRO 80 Cb -0.00 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.68 1x5m s PRO 80 CO 0.05 -1.82 0.33 0.96 0.04 0.00 0.00 177.00 176.57 1x5m s ILE 81 N -3.20 -0.01 0.18 0.56 -5.25 0.46 -3.21 121.20 110.73 1x5m s ILE 81 Ca 0.62 0.02 -0.30 0.00 -0.99 0.00 0.00 60.65 59.99 1x5m s ILE 81 Cb -0.14 -0.47 -0.09 0.00 2.95 0.00 0.00 42.46 44.71 1x5m s ILE 81 CO 0.54 0.01 1.35 -0.55 -1.79 0.00 0.00 174.94 174.50 1x5m s SER 82 N 0.35 6.84 -0.02 4.36 0.15 -1.08 -3.94 113.70 120.36 1x5m s SER 82 Ca -0.01 2.41 -0.00 0.00 0.70 0.00 0.00 55.95 59.04 1x5m s SER 82 Cb -0.03 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1x5m s SER 82 CO -0.01 -0.59 0.06 0.58 1.20 0.00 0.00 173.24 174.47 1x5m h VAL 83 N 3.89 0.00 -0.66 4.45 2.07 -1.87 0.17 116.25 124.31 1x5m h VAL 83 Ca -0.44 -0.18 0.19 0.00 0.82 0.00 0.00 66.70 67.09 1x5m h VAL 83 Cb 1.21 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1x5m h VAL 83 CO 0.80 0.00 0.76 -0.33 0.02 0.00 0.00 177.57 178.83 1x5m h GLU 84 N -0.20 0.00 0.00 1.57 5.08 -1.93 1.60 114.58 120.71 1x5m h GLU 84 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1x5m h GLU 84 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1x5m h GLU 84 CO 0.00 0.00 -1.58 0.41 -1.00 0.00 0.00 179.01 176.84 1x5m n GLY 85 N -1.58 -1.17 3.73 -3.84 0.00 -1.24 -4.94 105.19 96.16 1x5m n GLY 85 Ca 0.14 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -5.57 4.25 0.24 1.61 0.01 0.55 -4.60 113.70 110.18 1x5m s SER 86 Ca -0.04 2.17 -0.15 0.00 1.31 0.00 0.00 55.95 59.24 1x5m s SER 86 Cb 0.09 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.76 1x5m s SER 86 CO 0.82 -2.22 0.51 -0.44 0.41 0.00 0.00 173.24 172.33 1x5m s SER 87 N -2.46 -0.14 0.03 2.44 0.01 -0.13 -4.94 113.70 108.51 1x5m s SER 87 Ca 0.69 -0.78 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1x5m s SER 87 Cb -0.24 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.57 1x5m s SER 87 CO 0.48 -1.14 -0.11 -0.75 0.41 0.00 0.00 173.24 172.13 1x5m s LYS 88 N -3.97 0.75 0.15 12.44 2.36 -1.26 -0.44 119.74 129.78 1x5m s LYS 88 Ca 0.17 -0.67 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 1x5m s LYS 88 Cb -0.01 -0.70 -0.04 0.00 -1.05 0.00 0.00 37.83 36.02 1x5m s LYS 88 CO 0.06 0.17 0.04 0.15 1.55 0.00 0.00 175.35 177.31 1x5m s LYS 89 N -1.09 1.01 -0.05 4.03 1.02 0.44 -4.89 119.74 120.21 1x5m s LYS 89 Ca -0.01 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1x5m s LYS 89 Cb -0.07 0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 1x5m s LYS 89 CO 0.01 -0.21 -0.02 0.08 -0.92 0.00 0.00 175.35 174.28 1x5m s VAL 90 N -3.89 0.46 0.44 3.17 1.01 -1.26 0.23 120.40 120.56 1x5m s VAL 90 Ca 0.25 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1x5m s VAL 90 Cb 0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1x5m s VAL 90 CO 0.03 0.23 0.26 -1.59 0.00 0.00 0.00 175.10 174.03 1x5m s LYS 91 N 1.32 2.29 -0.25 2.72 -2.85 0.55 -4.86 119.74 118.66 1x5m s LYS 91 Ca -0.05 -1.84 -0.38 0.00 -1.00 0.00 0.00 55.97 52.70 1x5m s LYS 91 Cb -0.13 -2.07 -0.14 0.00 -2.06 0.00 0.00 37.83 33.43 1x5m s LYS 91 CO -0.02 -0.24 1.88 2.41 0.10 0.00 0.00 175.35 179.48 1x5m n THR 92 N -1.41 0.35 -4.05 3.79 -1.04 -1.26 0.01 114.28 110.68 1x5m n THR 92 Ca -0.01 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 1x5m n THR 92 Cb 0.64 -1.47 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 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 6.69 -2.86 -3.59 8.00 5.68 -1.26 -4.89 116.55 124.32 1x5m n ASP 93 Ca 0.29 -0.86 -0.16 0.00 -0.50 0.00 0.00 54.79 53.56 1x5m n ASP 93 Cb 0.19 -2.39 -0.07 0.00 -1.14 0.00 0.00 41.12 37.71 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 -3.12 0.00 -0.18 2.12 2.01 0.10 -1.31 115.64 115.27 1x5m s THR 94 Ca 0.67 -0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.63 1x5m s THR 94 Cb -0.37 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 1x5m s THR 94 CO 0.82 -0.01 -0.10 0.54 -0.69 0.00 0.00 174.62 175.18 1x5m s VAL 95 N -0.41 3.08 0.04 3.82 0.11 -0.58 0.20 120.40 126.67 1x5m s VAL 95 Ca -0.06 -0.62 -0.07 0.00 -2.93 0.00 0.00 61.98 58.31 1x5m s VAL 95 Cb -0.03 -2.35 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 1x5m s VAL 95 CO 0.05 0.48 0.30 -0.76 -3.33 0.00 0.00 175.10 171.84 1x5m s LEU 96 N 0.97 4.35 -0.37 2.54 1.43 0.63 -2.28 118.68 125.96 1x5m s LEU 96 Ca -0.01 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1x5m s LEU 96 Cb -0.15 -2.82 0.14 0.00 0.03 0.00 0.00 46.19 43.39 1x5m s LEU 96 CO -0.01 0.21 0.21 -0.63 0.23 0.00 0.00 176.35 176.36 1x5m s ILE 97 N -1.37 0.49 -0.12 -0.59 -1.09 -0.87 -0.42 121.20 117.23 1x5m s ILE 97 Ca 0.31 -1.88 -0.30 0.00 -2.23 0.00 0.00 60.65 56.55 1x5m s ILE 97 Cb -0.13 -1.36 -0.02 0.00 -1.58 0.00 0.00 42.46 39.37 1x5m s ILE 97 CO 0.18 -0.94 1.19 -0.76 -1.23 0.00 0.00 174.94 173.38 1x5m s LEU 98 N 0.95 4.22 -0.23 2.97 1.43 0.42 -2.17 118.68 126.26 1x5m s LEU 98 Ca 0.17 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.99 1x5m s LEU 98 Cb -0.23 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.49 1x5m s LEU 98 CO -0.02 -0.65 -0.14 0.00 0.23 0.00 0.00 176.35 175.77 1x5m n ARG 100 N 4.51 1.26 -3.71 0.00 5.12 -1.26 -0.39 116.66 122.20 1x5m n ARG 100 Ca -0.17 0.48 -0.36 0.00 -1.93 0.00 0.00 57.85 55.87 1x5m n ARG 100 Cb 0.45 -2.44 -0.10 0.00 -1.16 0.00 0.00 32.46 29.22 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 -3.01 4.02 0.44 5.56 1.02 -1.26 -2.63 119.74 123.88 1x5m s LYS 101 Ca 0.77 -0.30 0.19 0.00 0.02 0.00 0.00 55.97 56.65 1x5m s LYS 101 Cb -0.41 -3.49 1.04 0.00 -0.52 0.00 0.00 37.83 34.45 1x5m s LYS 101 CO 0.45 0.05 1.94 -0.22 -0.92 0.00 0.00 175.35 176.66 1x5m h LYS 102 N 7.52 0.00 -2.32 1.68 3.64 -1.89 -3.41 116.57 121.79 1x5m h LYS 102 Ca -0.38 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 1x5m h LYS 102 Cb 1.17 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 32.71 1x5m h LYS 102 CO 0.65 0.24 -0.42 0.54 -2.27 0.00 0.00 179.45 178.19 1x5m s VAL 103 N -4.24 -0.62 1.13 2.00 0.11 -1.26 -5.05 120.40 112.47 1x5m s VAL 103 Ca -0.03 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 1x5m s VAL 103 Cb 0.14 -0.70 0.25 0.00 -1.53 0.00 0.00 36.38 34.54 1x5m s VAL 103 CO 0.67 0.01 1.06 -1.61 -3.33 0.00 0.00 175.10 171.90 1x5m s GLU 104 N 2.58 -0.62 -1.22 1.54 8.01 -1.26 -4.08 118.70 123.64 1x5m s GLU 104 Ca 0.04 0.41 -0.00 0.00 0.01 0.00 0.00 54.97 55.43 1x5m s GLU 104 Cb -0.13 -1.62 0.00 0.00 -4.31 0.00 0.00 34.13 28.07 1x5m s GLU 104 CO -0.13 -3.42 0.96 0.09 0.01 0.00 0.00 175.26 172.77 1x5m n ASN 105 N -4.64 -2.02 -3.61 -0.19 4.13 -1.26 -4.93 115.26 102.75 1x5m n ASN 105 Ca 0.07 -0.65 -0.27 0.00 1.68 0.00 0.00 54.58 55.40 1x5m n ASN 105 Cb 0.57 -4.95 -0.16 0.00 -1.54 0.00 0.00 39.78 33.70 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5m s THR 106 N -3.41 0.03 0.63 3.41 2.01 -1.26 -5.07 115.64 111.98 1x5m s THR 106 Ca 0.02 -0.45 -0.17 0.00 0.31 0.00 0.00 61.69 61.41 1x5m s THR 106 Cb -0.01 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.69 1x5m s THR 106 CO 0.74 -0.43 1.14 -0.60 -0.69 0.00 0.00 174.62 174.78 1x5m s ARG 107 N 2.07 2.86 -0.46 4.92 3.52 -1.26 -4.83 118.95 125.78 1x5m s ARG 107 Ca 0.04 1.56 0.03 0.00 -0.13 0.00 0.00 55.73 57.23 1x5m s ARG 107 Cb -0.16 -1.94 0.12 0.00 -1.56 0.00 0.00 34.95 31.41 1x5m s ARG 107 CO -0.18 -1.23 0.20 -1.58 -0.81 0.00 0.00 175.30 171.69 1x5m s TRP 108 N -2.05 3.42 0.49 5.12 0.52 -1.26 -4.92 118.94 120.26 1x5m s TRP 108 Ca 0.71 -3.06 0.38 0.00 0.02 0.00 0.00 56.10 54.15 1x5m s TRP 108 Cb -0.24 -2.90 2.05 0.00 -1.15 0.00 0.00 33.47 31.23 1x5m s TRP 108 CO 0.37 -0.83 2.15 -0.44 0.02 0.00 0.00 176.95 178.23 1x5m h ASP 109 N 6.98 0.00 -4.48 2.95 5.19 -1.98 -3.42 116.42 121.66 1x5m h ASP 109 Ca -0.06 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1x5m h ASP 109 Cb 0.95 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.25 1x5m h ASP 109 CO 0.63 0.00 0.27 -0.31 -3.12 0.00 0.00 179.24 176.72 1x5m s TYR 110 N -4.01 -0.61 0.47 4.55 2.02 -1.26 -4.96 117.35 113.55 1x5m s TYR 110 Ca -0.04 1.18 0.14 0.00 -0.37 0.00 0.00 57.07 57.98 1x5m s TYR 110 Cb 0.11 0.39 1.12 0.00 -0.40 0.00 0.00 41.96 43.17 1x5m s TYR 110 CO 0.34 -0.48 2.07 1.25 -1.57 0.00 0.00 175.55 177.17 1x5m h LEU 111 N 3.39 0.21 -7.90 -1.29 6.46 -1.95 -3.37 115.31 110.87 1x5m h LEU 111 Ca -0.26 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.35 1x5m h LEU 111 Cb 1.15 -0.05 -0.20 0.00 -0.73 0.00 0.00 40.66 40.83 1x5m h LEU 111 CO 0.29 0.15 -0.60 0.42 -0.62 0.00 0.00 178.44 178.07 1x5m s THR 112 N -5.25 0.11 0.28 1.05 -4.23 -1.26 -3.40 115.64 102.94 1x5m s THR 112 Ca -0.06 -0.90 -0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1x5m s THR 112 Cb 0.18 -0.46 0.28 0.00 1.34 0.00 0.00 72.50 73.84 1x5m s THR 112 CO 0.71 -0.49 1.89 1.56 -0.54 0.00 0.00 174.62 177.74 1x5m h GLN 113 N 4.31 1.06 -0.64 3.99 4.20 -1.61 -2.60 115.11 123.82 1x5m h GLN 113 Ca -0.32 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.39 1x5m h GLN 113 Cb 1.20 -0.24 -0.09 0.00 0.30 0.00 0.00 27.48 28.65 1x5m h GLN 113 CO 0.43 0.70 -0.51 -0.24 -0.67 0.00 0.00 178.83 178.54 1x5m h VAL 114 N 1.09 0.00 -0.91 -0.54 3.04 -1.88 0.60 116.25 117.65 1x5m h VAL 114 Ca 0.43 0.00 0.26 0.00 -1.01 0.00 0.00 66.70 66.37 1x5m h VAL 114 Cb 0.24 0.00 -0.15 0.00 -2.01 0.00 0.00 31.29 29.37 1x5m h VAL 114 CO -0.18 0.00 0.21 -0.08 -1.01 0.00 0.00 177.57 176.51 1x5m h GLU 115 N -0.17 0.14 -0.33 4.17 4.81 -1.84 1.75 114.58 123.11 1x5m h GLU 115 Ca 0.10 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1x5m h GLU 115 Cb 0.44 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 1x5m h GLU 115 CO -0.69 0.09 0.10 -0.22 -0.73 0.00 0.00 179.01 177.57 1x5m h LYS 116 N 0.15 0.23 0.00 1.92 3.64 0.11 1.36 116.57 123.97 1x5m h LYS 116 Ca 0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 1x5m h LYS 116 Cb 1.23 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1x5m h LYS 116 CO -0.72 0.15 0.00 -0.85 -2.27 0.00 0.00 179.45 175.76 1x5m n GLU 117 N -5.04 0.19 -0.07 1.90 0.28 0.25 -2.29 120.64 115.87 1x5m n GLU 117 Ca 0.01 0.22 -0.06 0.00 -0.16 0.00 0.00 57.16 57.17 1x5m n GLU 117 Cb 0.13 -1.75 -0.04 0.00 1.43 0.00 0.00 31.44 31.21 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x5m h LYS 119 N -1.00 -0.63 -5.68 0.00 1.79 0.16 -1.90 116.57 109.32 1x5m h LYS 119 Ca -0.04 0.04 -0.38 0.00 -2.18 0.00 0.00 60.65 58.10 1x5m h LYS 119 Cb 0.45 0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 31.19 1x5m h LYS 119 CO -0.02 -0.42 1.08 -1.21 -1.08 0.00 0.00 179.45 177.80 1x5m s GLU 120 N -5.06 2.78 -0.17 3.15 0.41 -0.97 -4.29 118.70 114.54 1x5m s GLU 120 Ca -0.13 -0.87 -0.10 0.00 -0.41 0.00 0.00 54.97 53.47 1x5m s GLU 120 Cb 0.04 -5.21 0.04 0.00 -1.78 0.00 0.00 34.13 27.22 1x5m s GLU 120 CO 0.44 -3.37 0.20 1.17 -0.49 0.00 0.00 175.26 173.21 1x5m n LYS 121 N 8.60 -3.85 -1.56 1.61 0.00 -1.24 -4.72 118.16 117.00 1x5m n LYS 121 Ca 0.42 2.98 -0.57 0.00 0.00 0.00 0.00 58.31 61.14 1x5m n LYS 121 Cb 0.47 -4.47 -0.08 0.00 0.00 0.00 0.00 35.03 30.95 1x5m n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1x5m n SER 122 N 1.39 1.90 -3.80 3.14 3.41 -0.71 -4.49 113.62 114.45 1x5m n SER 122 Ca -0.34 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1x5m n SER 122 Cb 0.53 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5m n GLY 123 N 5.41 -3.52 2.81 5.00 0.00 -0.92 -4.69 105.19 109.27 1x5m n GLY 123 Ca 0.36 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.40 2.31 -2.75 1.61 -0.04 -1.26 -4.43 135.00 130.04 1x5m n PRO 124 Ca 0.00 -2.09 -0.03 0.00 -0.04 0.00 0.00 63.50 61.34 1x5m n PRO 124 Cb 0.00 -2.96 0.02 0.00 -0.04 0.00 0.00 33.50 30.52 1x5m n PRO 124 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5m s SER 125 N 3.82 -0.80 -0.03 3.54 0.01 -1.26 -5.14 113.70 113.83 1x5m s SER 125 Ca 0.52 -0.87 -0.28 0.00 1.31 0.00 0.00 55.95 56.63 1x5m s SER 125 Cb 0.14 1.05 -0.03 0.00 0.21 0.00 0.00 66.02 67.39 1x5m s SER 125 CO 0.00 -0.04 0.92 -0.44 0.41 0.00 0.00 173.24 174.10 1x5m s SER 126 N 1.08 7.26 0.00 2.44 0.01 -1.26 -5.05 113.70 118.18 1x5m s SER 126 Ca 0.25 1.53 0.30 0.00 1.31 0.00 0.00 55.95 59.34 1x5m s SER 126 Cb 0.06 -2.53 1.79 0.00 0.21 0.00 0.00 66.02 65.55 1x5m s SER 126 CO -0.09 -0.26 2.12 0.61 0.41 0.00 0.00 173.24 176.04