#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 2.21 0.13 1.61 1.04 -1.26 -4.91 113.70 112.51 1x5m s SER 2 Ca 0.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1x5m s SER 2 Cb 0.00 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1x5m s SER 2 CO 0.00 -0.23 0.00 -0.24 0.98 0.00 0.00 173.24 173.75 1x5m n SER 3 N 5.07 -1.13 0.00 7.02 2.88 -1.26 -5.15 113.62 121.05 1x5m n SER 3 Ca -0.09 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x5m n SER 3 Cb 0.49 1.35 0.00 0.00 -0.75 0.00 0.00 64.21 65.29 1x5m n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5m n GLY 4 N -1.16 1.93 2.74 0.46 0.00 -1.26 -5.12 105.19 102.78 1x5m n GLY 4 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 3.58 -0.23 1.61 0.15 -1.26 -5.03 113.70 114.52 1x5m s SER 5 Ca 0.00 -1.28 -0.11 0.00 0.70 0.00 0.00 55.95 55.26 1x5m s SER 5 Cb 0.00 -0.77 0.08 0.00 -1.71 0.00 0.00 66.02 63.62 1x5m s SER 5 CO 0.00 -0.36 0.53 -0.55 1.20 0.00 0.00 173.24 174.06 1x5m s SER 6 N 1.71 -0.68 0.00 5.45 0.15 -1.26 -5.15 113.70 113.91 1x5m s SER 6 Ca 0.04 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1x5m s SER 6 Cb -0.17 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1x5m s SER 6 CO -0.18 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x5m n GLY 7 N 4.63 3.88 3.18 9.45 0.00 -1.26 -5.04 105.19 120.03 1x5m n GLY 7 Ca -0.18 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 1x5m n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5m s VAL 8 N -2.00 1.24 0.34 1.61 0.11 -1.26 -5.15 120.40 115.29 1x5m s VAL 8 Ca 0.00 -1.24 -0.08 0.00 -2.93 0.00 0.00 61.98 57.73 1x5m s VAL 8 Cb 0.00 -1.15 -0.06 0.00 -1.53 0.00 0.00 36.38 33.64 1x5m s VAL 8 CO 0.00 -0.10 0.66 0.54 -3.33 0.00 0.00 175.10 172.87 1x5m s VAL 9 N -1.09 4.90 -0.38 2.04 0.11 -1.26 -5.06 120.40 119.66 1x5m s VAL 9 Ca 0.01 0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1x5m s VAL 9 Cb -0.09 -3.72 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 1x5m s VAL 9 CO 0.02 -0.39 0.15 0.00 -3.33 0.00 0.00 175.10 171.55 1x5m s ALA 10 N -2.19 3.07 -0.73 1.54 0.00 -1.26 -5.05 121.76 117.13 1x5m s ALA 10 Ca 0.48 -2.46 -0.26 0.00 0.00 0.00 0.00 51.96 49.71 1x5m s ALA 10 Cb -0.11 -2.27 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1x5m s ALA 10 CO 0.30 -1.73 1.59 -1.25 0.00 0.00 0.00 175.76 174.67 1x5m s PRO 11 N 1.10 2.94 0.02 0.00 0.04 -1.26 -4.95 135.00 132.89 1x5m s PRO 11 Ca 0.08 0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.82 1x5m s PRO 11 Cb -0.22 -4.46 -0.07 0.00 0.04 0.00 0.00 34.50 29.79 1x5m s PRO 11 CO -0.05 -2.50 1.72 -1.50 0.04 0.00 0.00 177.00 174.71 1x5m s ILE 12 N 7.40 3.23 -0.19 0.56 -1.16 -1.26 -4.97 121.20 124.81 1x5m s ILE 12 Ca 0.52 0.47 0.01 0.00 -0.51 0.00 0.00 60.65 61.14 1x5m s ILE 12 Cb -0.09 -3.30 0.04 0.00 0.61 0.00 0.00 42.46 39.71 1x5m s ILE 12 CO 0.13 -0.02 -0.13 0.42 -2.81 0.00 0.00 174.94 172.53 1x5m s THR 13 N 3.52 1.75 0.00 4.00 -4.23 -1.26 -5.07 115.64 114.35 1x5m s THR 13 Ca 0.77 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1x5m s THR 13 Cb -0.38 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.72 1x5m s THR 13 CO 0.33 0.28 0.00 0.35 -0.54 0.00 0.00 174.62 175.05 1x5m n THR 14 N 4.67 0.00 -3.66 3.99 -2.24 -1.26 -4.84 114.28 110.94 1x5m n THR 14 Ca -0.16 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.47 1x5m n THR 14 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1x5m n THR 14 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x5m s GLY 15 N -0.54 -0.39 0.51 3.38 0.00 -1.26 -5.17 107.32 103.85 1x5m s GLY 15 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 44.72 45.80 1x5m s GLY 15 CO 0.00 0.92 0.36 1.58 0.00 0.00 0.00 173.10 175.96 1x5m n TYR 16 N 1.93 -2.95 -3.48 1.90 0.18 -1.26 -4.91 117.16 108.58 1x5m n TYR 16 Ca -0.17 -0.33 -0.33 0.00 1.88 0.00 0.00 57.90 58.95 1x5m n TYR 16 Cb 0.56 -0.44 -0.05 0.00 -0.38 0.00 0.00 39.34 39.03 1x5m n TYR 16 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1x5m s THR 17 N -1.54 4.99 0.56 -3.48 2.01 -1.26 -4.53 115.64 112.39 1x5m s THR 17 Ca 0.25 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1x5m s THR 17 Cb -0.04 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1x5m s THR 17 CO 0.20 0.11 1.03 -0.69 -0.69 0.00 0.00 174.62 174.58 1x5m s VAL 18 N -1.60 4.15 -0.30 3.82 1.01 0.50 -4.77 120.40 123.20 1x5m s VAL 18 Ca 0.40 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.31 1x5m s VAL 18 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1x5m s VAL 18 CO 0.20 -0.62 0.11 -0.75 0.00 0.00 0.00 175.10 174.05 1x5m s LYS 19 N -4.14 3.19 -0.93 2.72 2.20 -1.26 0.17 119.74 121.68 1x5m s LYS 19 Ca 0.61 -0.80 -0.24 0.00 -0.36 0.00 0.00 55.97 55.18 1x5m s LYS 19 Cb -0.13 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1x5m s LYS 19 CO 0.36 -0.43 1.79 0.42 -0.36 0.00 0.00 175.35 177.12 1x5m s ILE 20 N 1.55 3.59 -0.05 5.43 1.01 -0.37 -4.78 121.20 127.57 1x5m s ILE 20 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 1x5m s ILE 20 Cb -0.17 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 1x5m s ILE 20 CO 0.04 -1.25 0.34 -1.28 0.00 0.00 0.00 174.94 172.79 1x5m h SER 21 N 10.90 -0.23 -3.24 3.58 0.87 -1.95 -3.43 113.55 120.05 1x5m h SER 21 Ca 0.12 0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 60.10 1x5m h SER 21 Cb 1.01 0.06 -0.08 0.00 -0.44 0.00 0.00 62.40 62.95 1x5m h SER 21 CO 1.28 0.17 0.54 0.21 -0.53 0.00 0.00 176.83 178.49 1x5m s ASN 22 N -4.85 6.90 -0.14 6.23 2.47 -1.26 -5.02 114.94 119.27 1x5m s ASN 22 Ca -0.04 1.12 -0.08 0.00 0.42 0.00 0.00 52.86 54.28 1x5m s ASN 22 Cb 0.00 -2.46 0.05 0.00 -1.45 0.00 0.00 41.25 37.39 1x5m s ASN 22 CO 0.12 -0.54 0.34 -0.72 -3.72 0.00 0.00 177.10 172.57 1x5m s TYR 23 N 2.88 -0.46 0.11 0.43 -0.85 -1.26 -4.79 117.35 113.41 1x5m s TYR 23 Ca 0.37 1.03 -0.27 0.00 -0.52 0.00 0.00 57.07 57.68 1x5m s TYR 23 Cb -0.15 0.16 -0.06 0.00 0.38 0.00 0.00 41.96 42.28 1x5m s TYR 23 CO 0.07 -0.27 0.85 0.20 -1.52 0.00 0.00 175.55 174.89 1x5m s GLY 24 N 1.11 2.93 -0.02 5.49 0.00 -0.23 -4.96 107.32 111.64 1x5m s GLY 24 Ca -0.08 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.04 1x5m s GLY 24 CO -0.09 1.19 0.10 0.66 0.00 0.00 0.00 173.10 174.96 1x5m s TRP 25 N -0.36 -0.01 0.02 1.90 1.48 -1.26 0.16 118.94 120.86 1x5m s TRP 25 Ca 0.41 0.02 0.00 0.00 -1.06 0.00 0.00 56.10 55.48 1x5m s TRP 25 Cb -0.23 -0.03 -0.00 0.00 -1.16 0.00 0.00 33.47 32.06 1x5m s TRP 25 CO 0.27 -0.16 0.01 -0.25 -4.06 0.00 0.00 176.95 172.76 1x5m n ASP 26 N 2.26 0.77 -3.57 -2.66 8.00 -0.53 -4.94 116.55 115.88 1x5m n ASP 26 Ca -0.18 -1.09 -0.15 0.00 0.71 0.00 0.00 54.79 54.08 1x5m n ASP 26 Cb 0.57 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 1x5m n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x5m s GLN 27 N -2.06 0.88 0.01 -1.24 -2.07 -1.26 -3.75 119.66 110.17 1x5m s GLN 27 Ca 0.01 0.48 -0.02 0.00 -1.82 0.00 0.00 55.36 54.02 1x5m s GLN 27 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 1x5m s GLN 27 CO 0.01 -0.22 0.02 -1.12 -1.32 0.00 0.00 175.29 172.65 1x5m s SER 28 N -0.61 0.12 -0.90 12.60 0.01 -0.92 -5.02 113.70 118.99 1x5m s SER 28 Ca -0.05 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 1x5m s SER 28 Cb -0.02 0.11 -0.22 0.00 0.21 0.00 0.00 66.02 66.10 1x5m s SER 28 CO 0.05 -0.22 1.96 0.47 0.41 0.00 0.00 173.24 175.91 1x5m n ASP 29 N 2.02 1.81 0.00 2.44 8.00 -1.26 -1.71 116.55 127.85 1x5m n ASP 29 Ca -0.20 -2.56 0.00 0.00 0.71 0.00 0.00 54.79 52.74 1x5m n ASP 29 Cb 0.57 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 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 8.05 0.00 -3.78 -1.24 4.76 -1.26 -4.44 118.16 120.25 1x5m n LYS 30 Ca 0.44 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.79 1x5m n LYS 30 Cb 0.45 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.61 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 -0.10 -0.01 2.13 0.08 -0.69 -4.10 117.98 115.29 1x5m s PHE 31 Ca 0.00 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.80 1x5m s PHE 31 Cb 0.00 0.46 -0.03 0.00 -0.57 0.00 0.00 43.02 42.87 1x5m s PHE 31 CO 0.00 -1.01 -0.04 0.08 -0.10 0.00 0.00 175.22 174.16 1x5m s VAL 32 N -3.90 3.89 -0.02 -0.44 1.01 -0.13 -2.16 120.40 118.65 1x5m s VAL 32 Ca 0.11 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1x5m s VAL 32 Cb -0.02 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1x5m s VAL 32 CO 0.01 0.41 0.19 -0.75 0.00 0.00 0.00 175.10 174.96 1x5m s LYS 33 N -1.40 0.46 0.13 2.72 2.20 -1.25 0.20 119.74 122.80 1x5m s LYS 33 Ca 0.17 -0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.67 1x5m s LYS 33 Cb -0.11 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1x5m s LYS 33 CO 0.08 -0.11 -0.20 0.42 -0.36 0.00 0.00 175.35 175.18 1x5m s ILE 34 N -1.02 1.76 -0.15 5.43 1.09 -1.06 -1.45 121.20 125.80 1x5m s ILE 34 Ca -0.11 -1.68 -0.01 0.00 -1.10 0.00 0.00 60.65 57.74 1x5m s ILE 34 Cb -0.06 -1.67 0.04 0.00 -1.06 0.00 0.00 42.46 39.72 1x5m s ILE 34 CO 0.02 -0.15 -0.02 -0.31 -0.10 0.00 0.00 174.94 174.37 1x5m s TYR 35 N -1.49 1.32 0.03 3.97 1.51 0.41 -2.04 117.35 121.06 1x5m s TYR 35 Ca 0.10 -0.83 0.05 0.00 -1.01 0.00 0.00 57.07 55.38 1x5m s TYR 35 Cb -0.08 -1.14 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1x5m s TYR 35 CO 0.05 -0.55 -0.11 0.42 -1.11 0.00 0.00 175.55 174.25 1x5m s ILE 36 N 1.76 3.35 -0.53 2.71 1.09 -1.00 -1.06 121.20 127.51 1x5m s ILE 36 Ca 0.01 -0.96 -0.20 0.00 -1.10 0.00 0.00 60.65 58.41 1x5m s ILE 36 Cb -0.15 -2.46 0.06 0.00 -1.06 0.00 0.00 42.46 38.86 1x5m s ILE 36 CO -0.07 0.35 0.69 -0.89 -0.10 0.00 0.00 174.94 174.91 1x5m s THR 37 N -1.00 4.78 -0.30 2.92 2.01 -1.26 -1.77 115.64 121.02 1x5m s THR 37 Ca 0.17 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 1x5m s THR 37 Cb -0.11 -4.36 0.10 0.00 0.01 0.00 0.00 72.50 68.14 1x5m s THR 37 CO 0.08 -0.90 0.12 -0.22 -0.69 0.00 0.00 174.62 173.01 1x5m s LEU 38 N 2.87 1.17 -0.21 4.42 1.98 0.37 -4.95 118.68 124.32 1x5m s LEU 38 Ca 0.17 -1.47 -0.29 0.00 -2.89 0.00 0.00 54.13 49.65 1x5m s LEU 38 Cb -0.19 -0.54 -0.01 0.00 0.66 0.00 0.00 46.19 46.11 1x5m s LEU 38 CO 0.12 -0.42 1.38 -0.89 -1.89 0.00 0.00 176.35 174.65 1x5m s THR 39 N 1.87 4.05 0.00 3.68 2.01 -1.17 -2.49 115.64 123.59 1x5m s THR 39 Ca 0.10 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1x5m s THR 39 Cb -0.17 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.39 1x5m s THR 39 CO -0.31 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 173.95 1x5m n GLY 40 N 4.12 1.92 0.34 4.40 0.00 -1.26 -3.97 105.19 110.73 1x5m n GLY 40 Ca 0.15 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.38 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 0.06 0.00 1.61 3.04 -1.82 1.15 116.25 120.28 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 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.19 1x5m h VAL 41 CO 0.00 0.00 -0.46 0.00 -1.01 0.00 0.00 177.57 176.10 1x5m n HIS 42 N -3.11 0.19 -0.09 3.17 1.44 -1.26 -3.76 115.22 111.79 1x5m n HIS 42 Ca -0.02 0.06 -0.10 0.00 -2.01 0.00 0.00 57.72 55.64 1x5m n HIS 42 Cb 0.16 -0.43 -0.16 0.00 0.12 0.00 0.00 29.99 29.69 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 -1.71 0.68 -1.95 -1.40 6.02 0.37 -4.96 117.38 114.43 1x5m n GLN 43 Ca 0.05 0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 1x5m n GLN 43 Cb 0.37 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.50 3.50 0.89 5.09 -7.23 0.52 -5.03 120.40 115.64 1x5m s VAL 44 Ca -0.11 0.73 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 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 0.82 -0.40 1.13 -2.16 -0.31 0.00 0.00 175.10 174.18 1x5m s PRO 45 N -3.99 1.29 0.00 4.82 0.04 -1.26 -4.92 135.00 130.97 1x5m s PRO 45 Ca 0.66 0.33 0.23 0.00 0.04 0.00 0.00 61.00 62.27 1x5m s PRO 45 Cb -0.19 -1.85 1.27 0.00 0.04 0.00 0.00 34.50 33.77 1x5m s PRO 45 CO 0.38 -2.11 1.78 -2.37 0.04 0.00 0.00 177.00 174.72 1x5m n THR 46 N -3.71 0.17 0.06 1.26 5.66 -1.26 -2.40 114.28 114.06 1x5m n THR 46 Ca 0.07 0.04 -0.00 0.00 -3.05 0.00 0.00 64.05 61.11 1x5m n THR 46 Cb 0.59 -0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 68.64 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 -3.28 114.58 114.50 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 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1x5m h GLU 47 CO 0.00 0.39 -0.37 -0.91 0.07 0.00 0.00 179.01 178.19 1x5m h ASN 48 N 0.00 0.00 -3.62 3.06 4.21 -1.79 -3.42 115.58 114.02 1x5m h ASN 48 Ca -0.12 -0.01 -0.69 0.00 1.21 0.00 0.00 56.30 56.68 1x5m h ASN 48 Cb 1.57 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.51 1x5m h ASN 48 CO 0.06 0.01 -0.58 -0.69 -1.29 0.00 0.00 177.43 174.94 1x5m s VAL 49 N -3.25 4.18 -0.22 2.81 1.01 -1.21 0.01 120.40 123.73 1x5m s VAL 49 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1x5m s VAL 49 Cb 0.07 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.23 1x5m s VAL 49 CO 0.71 -0.08 -0.14 -1.10 0.00 0.00 0.00 175.10 174.48 1x5m s GLN 50 N 1.50 2.49 -0.04 2.72 -0.21 -0.50 -4.84 119.66 120.78 1x5m s GLN 50 Ca 0.02 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.37 1x5m s GLN 50 Cb -0.18 -2.68 0.01 0.00 1.00 0.00 0.00 33.01 31.15 1x5m s GLN 50 CO 0.04 -0.41 -0.11 0.54 -2.12 0.00 0.00 175.29 173.23 1x5m s VAL 51 N 1.23 1.00 -0.03 1.09 0.11 -1.26 0.19 120.40 122.73 1x5m s VAL 51 Ca -0.02 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1x5m s VAL 51 Cb -0.17 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1x5m s VAL 51 CO -0.09 0.31 -0.22 -2.28 -3.33 0.00 0.00 175.10 169.49 1x5m s HIS 52 N 0.34 2.08 0.06 1.54 5.04 0.83 -4.96 115.29 120.23 1x5m s HIS 52 Ca -0.07 -0.49 0.03 0.00 -1.54 0.00 0.00 55.06 52.99 1x5m s HIS 52 Cb -0.12 -1.36 -0.04 0.00 0.04 0.00 0.00 32.58 31.11 1x5m s HIS 52 CO 0.02 -0.10 0.04 -0.06 -2.34 0.00 0.00 174.74 172.29 1x5m s PHE 53 N -0.34 3.11 0.00 3.88 0.08 -1.26 -0.57 117.98 122.88 1x5m s PHE 53 Ca 0.04 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.14 1x5m s PHE 53 Cb -0.10 -1.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 1x5m s PHE 53 CO 0.01 0.50 0.00 0.25 -0.10 0.00 0.00 175.22 175.88 1x5m n THR 54 N 0.74 0.00 0.11 0.64 -2.24 -0.54 -4.84 114.28 108.15 1x5m n THR 54 Ca -0.11 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 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 0.48 -1.58 -0.78 4.11 -1.96 -3.37 114.58 111.48 1x5m h GLU 55 Ca 0.00 -0.69 -0.46 0.00 0.07 0.00 0.00 59.36 58.27 1x5m h GLU 55 Cb 0.00 0.24 -0.34 0.00 0.50 0.00 0.00 28.75 29.15 1x5m h GLU 55 CO 0.00 1.31 -1.01 0.54 0.07 0.00 0.00 179.01 179.92 1x5m n ARG 56 N -3.69 0.84 0.00 1.06 5.12 -1.26 0.14 116.66 118.87 1x5m n ARG 56 Ca -0.12 -2.99 0.00 0.00 -1.93 0.00 0.00 57.85 52.81 1x5m n ARG 56 Cb 1.00 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.90 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 0.93 0.00 -3.65 0.55 3.41 -1.26 -3.03 113.62 110.57 1x5m n SER 57 Ca 0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.75 1x5m n SER 57 Cb 0.60 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.10 -0.03 7.33 -0.12 0.11 -1.47 117.98 120.70 1x5m s PHE 58 Ca 0.00 2.12 -0.00 0.00 -0.05 0.00 0.00 56.93 59.00 1x5m s PHE 58 Cb 0.00 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.00 1x5m s PHE 58 CO 0.00 -0.55 0.03 0.16 -0.05 0.00 0.00 175.22 174.81 1x5m s ASP 59 N 1.90 5.36 -0.09 1.98 -4.77 0.27 -0.24 116.67 121.08 1x5m s ASP 59 Ca -0.09 0.10 -0.03 0.00 -3.30 0.00 0.00 52.55 49.23 1x5m s ASP 59 Cb -0.07 -1.49 0.04 0.00 -1.09 0.00 0.00 42.92 40.32 1x5m s ASP 59 CO -0.19 0.32 0.08 -0.22 0.70 0.00 0.00 175.17 175.86 1x5m s LEU 60 N -1.36 0.18 0.11 2.11 0.20 0.60 -0.12 118.68 120.39 1x5m s LEU 60 Ca 0.18 -0.12 0.05 0.00 0.69 0.00 0.00 54.13 54.93 1x5m s LEU 60 Cb -0.12 -0.12 -0.04 0.00 -0.43 0.00 0.00 46.19 45.48 1x5m s LEU 60 CO 0.08 -0.28 0.02 -0.22 -0.29 0.00 0.00 176.35 175.66 1x5m s LEU 61 N 2.18 3.52 -0.23 -0.68 1.98 0.50 0.54 118.68 126.49 1x5m s LEU 61 Ca 0.04 -0.18 -0.03 0.00 -2.89 0.00 0.00 54.13 51.07 1x5m s LEU 61 Cb -0.13 -2.22 0.11 0.00 0.66 0.00 0.00 46.19 44.60 1x5m s LEU 61 CO -0.05 0.15 0.27 -0.69 -1.89 0.00 0.00 176.35 174.14 1x5m s VAL 62 N -1.42 -0.39 0.30 1.68 1.01 0.94 -1.41 120.40 121.10 1x5m s VAL 62 Ca 0.27 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1x5m s VAL 62 Cb -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1x5m s VAL 62 CO 0.19 -0.26 0.28 -0.54 0.00 0.00 0.00 175.10 174.78 1x5m s LYS 63 N 2.38 2.90 -0.01 2.72 1.02 0.10 0.80 119.74 129.64 1x5m s LYS 63 Ca 0.09 -1.13 -0.00 0.00 0.02 0.00 0.00 55.97 54.94 1x5m s LYS 63 Cb -0.15 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1x5m s LYS 63 CO -0.18 0.24 0.00 -1.71 -0.92 0.00 0.00 175.35 172.78 1x5m n ASN 64 N -1.33 -6.77 0.00 2.83 2.85 -1.25 -4.74 115.26 106.86 1x5m n ASN 64 Ca -0.05 0.55 0.00 0.00 -0.11 0.00 0.00 54.58 54.98 1x5m n ASN 64 Cb 0.59 -1.74 0.00 0.00 1.24 0.00 0.00 39.78 39.86 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 1.51 0.00 -3.76 1.20 7.94 0.57 -4.79 117.00 119.67 1x5m n LEU 65 Ca -0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1x5m n LEU 65 Cb 0.39 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.29 1x5m n LEU 65 CO 0.02 0.00 2.12 -3.20 -1.11 0.00 0.00 177.39 175.22 1x5m n ASN 66 N 0.00 2.81 -1.43 1.96 2.85 -1.25 -3.89 115.26 116.30 1x5m n ASN 66 Ca 0.00 -2.71 -0.18 0.00 -0.11 0.00 0.00 54.58 51.58 1x5m n ASN 66 Cb 0.00 -1.26 -0.07 0.00 1.24 0.00 0.00 39.78 39.68 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 4.63 1.62 2.24 8.20 0.00 -1.26 -4.89 105.19 115.73 1x5m n GLY 67 Ca 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.49 0.51 -4.32 1.61 2.85 -1.25 -5.12 118.16 109.94 1x5m n LYS 68 Ca -0.18 -1.06 -0.24 0.00 -1.05 0.00 0.00 58.31 55.78 1x5m n LYS 68 Cb 0.60 1.37 -0.12 0.00 -0.65 0.00 0.00 35.03 36.23 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 -2.34 2.71 0.06 -5.58 0.01 -1.26 0.21 113.70 107.51 1x5m s SER 69 Ca 0.12 -0.76 0.05 0.00 1.31 0.00 0.00 55.95 56.67 1x5m s SER 69 Cb -0.02 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 1x5m s SER 69 CO 0.05 0.05 -0.13 -0.31 0.41 0.00 0.00 173.24 173.30 1x5m s TYR 70 N -1.44 1.16 0.01 2.43 1.51 0.24 0.19 117.35 121.44 1x5m s TYR 70 Ca 0.11 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1x5m s TYR 70 Cb -0.09 -0.67 -0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1x5m s TYR 70 CO 0.05 0.04 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.92 1x5m s SER 71 N -1.50 0.84 -0.18 2.29 1.04 0.44 -0.04 113.70 116.59 1x5m s SER 71 Ca -0.01 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 1x5m s SER 71 Cb -0.09 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.05 1x5m s SER 71 CO 0.02 0.02 0.38 -0.32 0.98 0.00 0.00 173.24 174.31 1x5m s MET 72 N -0.52 0.29 0.01 4.02 0.00 0.19 -1.24 119.30 122.05 1x5m s MET 72 Ca -0.00 0.94 0.01 0.00 0.00 0.00 0.00 55.69 56.64 1x5m s MET 72 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 34.83 34.98 1x5m s MET 72 CO 0.00 -0.25 -0.04 0.42 0.00 0.00 0.00 175.02 175.15 1x5m s ILE 73 N 2.44 0.27 -0.11 10.11 1.01 -1.26 0.22 121.20 133.88 1x5m s ILE 73 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1x5m s ILE 73 Cb -0.12 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.07 1x5m s ILE 73 CO -0.12 -0.17 -0.09 0.68 0.00 0.00 0.00 174.94 175.24 1x5m s VAL 74 N -0.70 1.13 -0.08 2.92 -7.23 0.67 -4.98 120.40 112.14 1x5m s VAL 74 Ca -0.05 -0.37 0.05 0.00 -1.81 0.00 0.00 61.98 59.79 1x5m s VAL 74 Cb -0.05 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.77 1x5m s VAL 74 CO -0.00 0.38 -0.23 0.20 -0.31 0.00 0.00 175.10 175.14 1x5m s ASN 75 N 1.52 2.91 0.00 4.85 0.01 -1.26 -0.72 114.94 122.25 1x5m s ASN 75 Ca 0.02 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1x5m s ASN 75 Cb -0.13 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.44 1x5m s ASN 75 CO -0.07 0.18 0.00 0.59 -1.51 0.00 0.00 177.10 176.29 1x5m n ASN 76 N 3.29 -1.42 -4.75 -1.22 3.02 -1.17 -4.81 115.26 108.20 1x5m n ASN 76 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.00 1x5m n ASN 76 Cb 0.53 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 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 -0.63 4.29 0.23 3.41 1.43 -1.23 -1.65 118.68 124.53 1x5m s LEU 77 Ca 0.00 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1x5m s LEU 77 Cb 0.00 -2.41 0.33 0.00 0.03 0.00 0.00 46.19 44.14 1x5m s LEU 77 CO 0.00 0.14 1.37 -0.11 0.23 0.00 0.00 176.35 177.97 1x5m n LEU 78 N 3.26 -0.41 -4.45 1.79 7.94 -1.19 -4.44 117.00 119.50 1x5m n LEU 78 Ca -0.12 1.52 -0.23 0.00 -1.11 0.00 0.00 56.01 56.07 1x5m n LEU 78 Cb 0.52 -0.42 -0.10 0.00 0.53 0.00 0.00 43.42 43.95 1x5m n LEU 78 CO 0.39 -1.42 -0.44 -0.54 -1.11 0.00 0.00 177.39 174.28 1x5m s LYS 79 N -6.00 1.61 0.88 1.96 -0.14 -1.26 -4.93 119.74 111.84 1x5m s LYS 79 Ca -0.13 -1.76 -0.12 0.00 -1.36 0.00 0.00 55.97 52.60 1x5m s LYS 79 Cb 0.22 -1.52 0.12 0.00 -1.68 0.00 0.00 37.83 34.96 1x5m s LYS 79 CO 0.66 0.22 1.13 -1.25 -0.76 0.00 0.00 175.35 175.35 1x5m s PRO 80 N -3.59 1.43 -0.09 -1.68 0.04 -1.26 -4.81 135.00 125.05 1x5m s PRO 80 Ca 0.29 0.39 -0.09 0.00 0.04 0.00 0.00 61.00 61.63 1x5m s PRO 80 Cb -0.01 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.69 1x5m s PRO 80 CO 0.13 -2.02 0.25 0.96 0.04 0.00 0.00 177.00 176.36 1x5m s ILE 81 N -3.25 0.01 0.05 0.56 -5.25 0.38 -3.20 121.20 110.50 1x5m s ILE 81 Ca 0.63 -0.06 -0.31 0.00 -0.99 0.00 0.00 60.65 59.93 1x5m s ILE 81 Cb -0.15 -0.37 -0.06 0.00 2.95 0.00 0.00 42.46 44.83 1x5m s ILE 81 CO 0.53 -0.03 1.35 -0.55 -1.79 0.00 0.00 174.94 174.45 1x5m s SER 82 N -0.01 6.89 -0.01 4.36 0.15 -1.06 -3.97 113.70 120.06 1x5m s SER 82 Ca -0.01 2.16 -0.01 0.00 0.70 0.00 0.00 55.95 58.78 1x5m s SER 82 Cb -0.02 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 1x5m s SER 82 CO 0.01 -0.64 0.28 0.58 1.20 0.00 0.00 173.24 174.67 1x5m h VAL 83 N 4.61 0.00 -0.36 4.45 2.07 -1.89 0.59 116.25 125.73 1x5m h VAL 83 Ca -0.40 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1x5m h VAL 83 Cb 1.20 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1x5m h VAL 83 CO 0.87 0.00 0.66 -0.33 0.02 0.00 0.00 177.57 178.79 1x5m h GLU 84 N -0.16 0.00 0.00 1.57 5.08 -1.92 1.11 114.58 120.26 1x5m h GLU 84 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1x5m h GLU 84 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1x5m h GLU 84 CO 0.01 0.00 -1.89 0.41 -1.00 0.00 0.00 179.01 176.54 1x5m n GLY 85 N -1.46 -0.98 3.61 -3.84 0.00 -1.22 -4.95 105.19 96.35 1x5m n GLY 85 Ca 0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1x5m n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5m n SER 86 N -2.99 -0.23 -3.45 1.61 7.64 0.38 -4.63 113.62 111.94 1x5m n SER 86 Ca -0.22 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1x5m n SER 86 Cb 1.08 -1.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1x5m n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5m s SER 87 N -2.53 -0.57 -0.08 6.43 1.04 0.11 -4.93 113.70 113.16 1x5m s SER 87 Ca 0.66 0.19 0.04 0.00 0.48 0.00 0.00 55.95 57.32 1x5m s SER 87 Cb -0.23 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 1x5m s SER 87 CO 0.60 -0.84 -0.21 -1.59 0.98 0.00 0.00 173.24 172.18 1x5m s LYS 88 N -3.01 2.83 0.21 4.02 0.00 -1.26 -0.29 119.74 122.23 1x5m s LYS 88 Ca -0.02 -0.83 0.10 0.00 0.00 0.00 0.00 55.97 55.23 1x5m s LYS 88 Cb -0.01 -2.32 -0.05 0.00 0.00 0.00 0.00 37.83 35.46 1x5m s LYS 88 CO -0.07 0.33 -0.20 0.21 0.00 0.00 0.00 175.35 175.63 1x5m s LYS 89 N -0.02 1.45 -0.06 1.78 2.47 0.12 -4.91 119.74 120.57 1x5m s LYS 89 Ca -0.07 -1.55 0.00 0.00 -1.56 0.00 0.00 55.97 52.79 1x5m s LYS 89 Cb -0.15 -1.55 0.02 0.00 -1.46 0.00 0.00 37.83 34.70 1x5m s LYS 89 CO 0.05 0.31 -0.04 0.08 0.16 0.00 0.00 175.35 175.91 1x5m s VAL 90 N -2.18 0.58 0.00 4.02 1.01 -1.26 0.25 120.40 122.82 1x5m s VAL 90 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1x5m s VAL 90 Cb -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1x5m s VAL 90 CO 0.10 0.26 0.00 2.29 0.00 0.00 0.00 175.10 177.75 1x5m n LYS 91 N 4.45 1.51 -2.24 2.72 2.85 0.61 -4.86 118.16 123.20 1x5m n LYS 91 Ca -0.18 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.65 1x5m n LYS 91 Cb 0.51 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 1x5m n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1x5m s THR 92 N 0.15 3.89 -1.58 0.58 2.01 -1.26 -2.69 115.64 116.74 1x5m s THR 92 Ca 0.00 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.01 1x5m s THR 92 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1x5m s THR 92 CO 0.00 -0.34 0.00 0.47 -0.69 0.00 0.00 174.62 174.06 1x5m n ASP 93 N 7.96 -3.95 -3.83 3.53 8.00 -1.25 -4.89 116.55 122.12 1x5m n ASP 93 Ca 0.17 0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.91 1x5m n ASP 93 Cb 0.46 -3.62 -0.11 0.00 -0.02 0.00 0.00 41.12 37.83 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 -2.28 0.05 -0.13 -3.53 2.01 -1.10 0.14 115.64 110.80 1x5m s THR 94 Ca 0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1x5m s THR 94 Cb 0.00 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 72.10 1x5m s THR 94 CO 0.00 -0.22 -0.17 0.54 -0.69 0.00 0.00 174.62 174.08 1x5m s VAL 95 N -0.81 2.57 0.05 3.82 0.11 -0.73 0.23 120.40 125.64 1x5m s VAL 95 Ca -0.09 -0.82 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1x5m s VAL 95 Cb -0.05 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1x5m s VAL 95 CO 0.01 0.53 0.32 -0.76 -3.33 0.00 0.00 175.10 171.87 1x5m s LEU 96 N 0.58 4.35 -0.47 2.54 1.43 0.70 -2.39 118.68 125.42 1x5m s LEU 96 Ca -0.10 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1x5m s LEU 96 Cb -0.16 -2.88 0.14 0.00 0.03 0.00 0.00 46.19 43.32 1x5m s LEU 96 CO 0.03 0.19 0.28 -0.63 0.23 0.00 0.00 176.35 176.46 1x5m s ILE 97 N -1.40 1.59 -0.25 -0.59 -1.09 -0.87 -0.70 121.20 117.89 1x5m s ILE 97 Ca 0.32 -2.83 -0.29 0.00 -2.23 0.00 0.00 60.65 55.61 1x5m s ILE 97 Cb -0.13 -2.10 -0.00 0.00 -1.58 0.00 0.00 42.46 38.65 1x5m s ILE 97 CO 0.19 -0.93 1.30 -0.76 -1.23 0.00 0.00 174.94 173.51 1x5m s LEU 98 N 0.06 3.98 -0.23 2.97 1.43 0.60 -2.55 118.68 124.93 1x5m s LEU 98 Ca 0.20 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1x5m s LEU 98 Cb -0.20 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1x5m s LEU 98 CO -0.04 -0.98 -0.13 0.00 0.23 0.00 0.00 176.35 175.43 1x5m s ARG 100 N 1.18 2.60 -0.18 0.00 1.81 -1.26 -0.95 118.95 122.15 1x5m s ARG 100 Ca -0.04 2.02 -0.08 0.00 -1.72 0.00 0.00 55.73 55.92 1x5m s ARG 100 Cb -0.18 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 1x5m s ARG 100 CO -0.07 -1.55 0.07 0.15 -0.68 0.00 0.00 175.30 173.22 1x5m s LYS 101 N -3.38 3.96 0.53 3.54 1.02 -1.26 -2.57 119.74 121.57 1x5m s LYS 101 Ca 0.82 -0.31 0.31 0.00 0.02 0.00 0.00 55.97 56.80 1x5m s LYS 101 Cb -0.36 -3.23 1.29 0.00 -0.52 0.00 0.00 37.83 35.00 1x5m s LYS 101 CO 0.39 0.31 1.96 -0.22 -0.92 0.00 0.00 175.35 176.87 1x5m h LYS 102 N 6.56 0.00 -2.27 1.68 3.64 -1.89 -3.42 116.57 120.87 1x5m h LYS 102 Ca -0.39 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.91 1x5m h LYS 102 Cb 1.17 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.72 1x5m h LYS 102 CO 0.71 0.07 -0.37 0.54 -2.27 0.00 0.00 179.45 178.12 1x5m s VAL 103 N -3.71 -0.69 0.85 2.00 0.11 -1.26 -5.05 120.40 112.64 1x5m s VAL 103 Ca 0.01 0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 59.04 1x5m s VAL 103 Cb 0.10 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 1x5m s VAL 103 CO 0.57 0.02 1.10 -1.61 -3.33 0.00 0.00 175.10 171.85 1x5m s GLU 104 N 2.64 1.68 -0.61 1.54 8.01 -1.26 -4.23 118.70 126.47 1x5m s GLU 104 Ca 0.02 0.62 -0.01 0.00 0.01 0.00 0.00 54.97 55.61 1x5m s GLU 104 Cb -0.13 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.82 1x5m s GLU 104 CO -0.14 -1.90 0.51 -1.71 0.01 0.00 0.00 175.26 172.03 1x5m n ASN 105 N -3.62 -2.42 -3.93 -0.19 2.85 -1.26 -4.93 115.26 101.76 1x5m n ASN 105 Ca 0.07 -0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.13 1x5m n ASN 105 Cb 0.57 -2.78 -0.12 0.00 1.24 0.00 0.00 39.78 38.68 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 -3.17 0.07 -0.08 -0.44 2.01 -1.26 -5.07 115.64 107.69 1x5m s THR 106 Ca 0.05 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1x5m s THR 106 Cb -0.02 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1x5m s THR 106 CO 0.36 -0.26 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.76 1x5m s ARG 107 N -0.79 2.88 -0.51 4.92 3.00 -1.26 -4.65 118.95 122.55 1x5m s ARG 107 Ca -0.08 -0.69 -0.17 0.00 0.00 0.00 0.00 55.73 54.79 1x5m s ARG 107 Cb -0.05 -2.49 0.08 0.00 0.00 0.00 0.00 34.95 32.49 1x5m s ARG 107 CO -0.01 0.45 0.51 -1.58 0.00 0.00 0.00 175.30 174.68 1x5m s TRP 108 N -0.28 3.16 0.50 -0.53 0.52 -1.26 -4.89 118.94 116.17 1x5m s TRP 108 Ca 0.02 -0.89 0.38 0.00 0.02 0.00 0.00 56.10 55.63 1x5m s TRP 108 Cb -0.13 -3.47 2.00 0.00 -1.15 0.00 0.00 33.47 30.72 1x5m s TRP 108 CO 0.03 -0.96 2.23 -0.44 0.02 0.00 0.00 176.95 177.84 1x5m h ASP 109 N 8.89 0.00 -2.96 2.95 5.19 -1.98 -3.41 116.42 125.10 1x5m h ASP 109 Ca -0.29 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1x5m h ASP 109 Cb 1.10 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.38 1x5m h ASP 109 CO 0.96 0.02 -0.10 -0.31 -3.12 0.00 0.00 179.24 176.68 1x5m s TYR 110 N -4.10 -0.94 0.32 4.55 2.02 -1.26 -4.97 117.35 112.97 1x5m s TYR 110 Ca -0.03 1.87 0.13 0.00 -0.37 0.00 0.00 57.07 58.67 1x5m s TYR 110 Cb 0.12 0.53 1.06 0.00 -0.40 0.00 0.00 41.96 43.27 1x5m s TYR 110 CO 0.48 -0.48 1.47 -0.11 -1.57 0.00 0.00 175.55 175.33 1x5m n LEU 111 N 4.44 0.17 -4.25 -1.29 0.00 -1.26 -4.04 117.00 110.77 1x5m n LEU 111 Ca -0.20 1.56 -0.14 0.00 0.00 0.00 0.00 56.01 57.23 1x5m n LEU 111 Cb 0.57 -0.69 -0.10 0.00 0.00 0.00 0.00 43.42 43.20 1x5m n LEU 111 CO 0.01 -1.69 -0.38 0.42 0.00 0.00 0.00 177.39 175.75 1x5m s THR 112 N -5.60 1.00 0.23 1.96 -4.23 -1.26 -3.20 115.64 104.55 1x5m s THR 112 Ca -0.10 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.34 1x5m s THR 112 Cb 0.30 -1.95 0.10 0.00 1.34 0.00 0.00 72.50 72.29 1x5m s THR 112 CO 0.73 -0.65 1.72 1.56 -0.54 0.00 0.00 174.62 177.43 1x5m h GLN 113 N 2.74 0.91 -0.82 3.99 4.20 -1.52 -3.13 115.11 121.48 1x5m h GLN 113 Ca -0.37 -0.26 0.08 0.00 0.06 0.00 0.00 58.65 58.16 1x5m h GLN 113 Cb 1.19 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.77 1x5m h GLN 113 CO 0.64 0.90 -0.55 -0.24 -0.67 0.00 0.00 178.83 178.91 1x5m h VAL 114 N 0.84 0.00 -0.71 -0.54 3.04 -1.89 0.57 116.25 117.57 1x5m h VAL 114 Ca 0.16 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 66.00 1x5m h VAL 114 Cb 0.49 0.00 -0.13 0.00 -2.01 0.00 0.00 31.29 29.64 1x5m h VAL 114 CO 0.02 0.00 -0.03 -0.08 -1.01 0.00 0.00 177.57 176.47 1x5m h GLU 115 N -0.09 0.08 0.00 4.17 4.57 -1.93 1.00 114.58 122.38 1x5m h GLU 115 Ca 0.13 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1x5m h GLU 115 Cb 0.43 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1x5m h GLU 115 CO -0.81 0.05 0.00 1.17 -1.18 0.00 0.00 179.01 178.24 1x5m n LYS 116 N -5.35 0.00 -0.31 1.92 3.00 0.17 0.20 118.16 117.78 1x5m n LYS 116 Ca 0.12 0.51 -0.08 0.00 -0.00 0.00 0.00 58.31 58.86 1x5m n LYS 116 Cb 0.42 -1.40 -0.07 0.00 0.00 0.00 0.00 35.03 33.98 1x5m n LYS 116 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1x5m n GLU 117 N -1.90 -0.33 0.17 1.64 -0.58 0.43 0.13 120.64 120.21 1x5m n GLU 117 Ca 0.00 1.26 -0.14 0.00 -0.42 0.00 0.00 57.16 57.86 1x5m n GLU 117 Cb 0.00 -1.86 -0.08 0.00 -0.57 0.00 0.00 31.44 28.93 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5m n LYS 119 N -4.92 -0.22 0.00 0.00 4.76 0.52 -4.50 118.16 113.79 1x5m n LYS 119 Ca -0.09 1.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.88 1x5m n LYS 119 Cb 0.36 -2.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1x5m n LYS 119 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1x5m n GLU 120 N -5.47 3.72 -1.11 1.97 -0.58 0.35 -4.54 120.64 114.98 1x5m n GLU 120 Ca 0.10 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.90 1x5m n GLU 120 Cb 0.40 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.24 1x5m n GLU 120 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1x5m n LYS 121 N 0.00 -2.77 -1.94 3.49 4.81 -1.19 -4.44 118.16 116.12 1x5m n LYS 121 Ca 0.00 2.20 -0.24 0.00 -0.87 0.00 0.00 58.31 59.40 1x5m n LYS 121 Cb 0.00 -2.91 -0.06 0.00 0.02 0.00 0.00 35.03 32.08 1x5m n LYS 121 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x5m s SER 122 N -5.49 4.81 0.00 3.14 0.01 -1.26 -4.60 113.70 110.32 1x5m s SER 122 Ca 0.00 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1x5m s SER 122 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x5m s SER 122 CO 0.00 -3.08 0.00 0.61 0.41 0.00 0.00 173.24 171.18 1x5m n GLY 123 N 6.74 2.12 3.60 3.44 0.00 -1.26 -5.10 105.19 114.72 1x5m n GLY 123 Ca 0.42 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 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 4.19 3.52 -0.92 1.61 0.04 -1.26 -4.95 135.00 137.23 1x5m s PRO 124 Ca 0.00 0.88 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 1x5m s PRO 124 Cb 0.00 -4.04 0.24 0.00 0.04 0.00 0.00 34.50 30.73 1x5m s PRO 124 CO 0.00 -1.63 0.87 0.45 0.04 0.00 0.00 177.00 176.73 1x5m s SER 125 N 4.09 6.79 -0.20 6.66 0.15 -1.26 -4.56 113.70 125.35 1x5m s SER 125 Ca 0.61 -3.13 -0.09 0.00 0.70 0.00 0.00 55.95 54.04 1x5m s SER 125 Cb -0.13 -2.16 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1x5m s SER 125 CO 0.32 -0.42 0.10 -0.55 1.20 0.00 0.00 173.24 173.90 1x5m s SER 126 N 1.53 5.90 0.00 5.45 0.15 -1.26 -5.17 113.70 120.30 1x5m s SER 126 Ca 0.23 0.12 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1x5m s SER 126 Cb -0.11 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1x5m s SER 126 CO -0.08 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.11