#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 -0.08 1.61 0.15 -1.26 -5.15 113.70 111.18 1x5m s SER 2 Ca 0.00 -1.02 -0.32 0.00 0.70 0.00 0.00 55.95 55.31 1x5m s SER 2 Cb 0.00 -0.08 0.12 0.00 -1.71 0.00 0.00 66.02 64.36 1x5m s SER 2 CO 0.00 -0.24 1.21 -0.94 1.20 0.00 0.00 173.24 174.47 1x5m s SER 3 N -3.24 -0.11 0.00 5.45 1.04 -1.26 -5.19 113.70 110.39 1x5m s SER 3 Ca 0.20 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1x5m s SER 3 Cb 0.01 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1x5m s SER 3 CO 0.04 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1x5m n GLY 4 N -0.30 3.97 3.76 7.32 0.00 -1.26 -5.19 105.19 113.49 1x5m n GLY 4 Ca -0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.23 -0.05 1.61 0.15 -1.26 -5.19 113.70 108.73 1x5m s SER 5 Ca 0.00 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 1x5m s SER 5 Cb 0.00 0.56 0.11 0.00 -1.71 0.00 0.00 66.02 64.99 1x5m s SER 5 CO 0.00 -1.03 0.99 -0.55 1.20 0.00 0.00 173.24 173.85 1x5m s SER 6 N -2.90 -0.28 -0.18 5.45 0.15 -1.26 -5.16 113.70 109.51 1x5m s SER 6 Ca 0.11 -0.02 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 1x5m s SER 6 Cb -0.03 0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.69 1x5m s SER 6 CO 0.03 -0.51 0.33 -0.83 1.20 0.00 0.00 173.24 173.46 1x5m s GLY 7 N -2.42 -0.24 0.00 9.45 0.00 -1.26 -5.15 107.32 107.70 1x5m s GLY 7 Ca 0.07 1.04 0.03 0.00 0.00 0.00 0.00 44.72 45.86 1x5m s GLY 7 CO -0.07 2.27 -0.11 0.14 0.00 0.00 0.00 173.10 175.33 1x5m s VAL 8 N 2.50 0.85 0.21 1.40 1.01 -1.26 -5.15 120.40 119.96 1x5m s VAL 8 Ca 0.03 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.54 1x5m s VAL 8 Cb -0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1x5m s VAL 8 CO -0.12 0.16 -0.05 0.54 0.00 0.00 0.00 175.10 175.63 1x5m s VAL 9 N -0.40 3.34 -0.01 2.92 0.11 -1.26 -5.14 120.40 119.96 1x5m s VAL 9 Ca 0.03 -1.75 0.06 0.00 -2.93 0.00 0.00 61.98 57.39 1x5m s VAL 9 Cb -0.05 -2.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 1x5m s VAL 9 CO -0.00 -0.22 -0.19 0.00 -3.33 0.00 0.00 175.10 171.36 1x5m s ALA 10 N -1.97 2.51 0.50 1.54 0.00 -1.26 -5.12 121.76 117.97 1x5m s ALA 10 Ca 0.28 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 1x5m s ALA 10 Cb -0.08 -0.78 -0.08 0.00 0.00 0.00 0.00 23.12 22.18 1x5m s ALA 10 CO 0.17 0.56 1.04 -1.25 0.00 0.00 0.00 175.76 176.28 1x5m s PRO 11 N -0.95 3.73 0.78 0.00 0.04 -1.26 -5.03 135.00 132.30 1x5m s PRO 11 Ca 0.12 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 1x5m s PRO 11 Cb -0.10 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.41 1x5m s PRO 11 CO 0.02 -0.49 1.09 0.96 0.04 0.00 0.00 177.00 178.61 1x5m s ILE 12 N -2.07 3.35 -0.10 0.56 -4.36 -1.26 -5.02 121.20 112.30 1x5m s ILE 12 Ca 0.66 0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 61.36 1x5m s ILE 12 Cb -0.16 -2.97 -0.05 0.00 1.25 0.00 0.00 42.46 40.53 1x5m s ILE 12 CO 0.23 -0.57 0.31 0.42 0.24 0.00 0.00 174.94 175.57 1x5m s THR 13 N -2.94 5.25 0.24 8.37 -4.23 -1.26 -4.95 115.64 116.12 1x5m s THR 13 Ca 0.61 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 61.84 1x5m s THR 13 Cb -0.17 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.29 1x5m s THR 13 CO 0.56 0.48 1.06 1.07 -0.54 0.00 0.00 174.62 177.26 1x5m n THR 14 N 2.77 -0.28 0.00 3.99 5.66 -1.26 -4.85 114.28 120.31 1x5m n THR 14 Ca -0.14 1.39 0.00 0.00 -3.05 0.00 0.00 64.05 62.26 1x5m n THR 14 Cb 0.53 -2.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 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 -1.21 0.58 3.62 1.09 0.00 -1.26 -5.11 105.19 102.90 1x5m n GLY 15 Ca 0.24 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -0.08 0.08 1.61 -0.85 -1.26 -5.17 117.35 111.67 1x5m s TYR 16 Ca 0.00 0.08 0.08 0.00 -0.52 0.00 0.00 57.07 56.71 1x5m s TYR 16 Cb 0.00 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 1x5m s TYR 16 CO 0.00 -0.11 -0.17 0.99 -1.52 0.00 0.00 175.55 174.74 1x5m s THR 17 N -1.84 2.86 0.55 -3.49 2.01 -1.26 -4.51 115.64 109.95 1x5m s THR 17 Ca 0.09 -1.32 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 1x5m s THR 17 Cb -0.01 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 1x5m s THR 17 CO -0.04 0.23 1.03 -0.69 -0.69 0.00 0.00 174.62 174.45 1x5m s VAL 18 N -1.03 4.05 -0.29 3.82 1.01 0.47 -4.76 120.40 123.65 1x5m s VAL 18 Ca 0.16 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 63.08 1x5m s VAL 18 Cb -0.11 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1x5m s VAL 18 CO 0.08 -0.52 0.11 -0.75 0.00 0.00 0.00 175.10 174.02 1x5m s LYS 19 N -3.93 3.33 -0.86 2.72 2.20 -1.26 0.19 119.74 122.12 1x5m s LYS 19 Ca 0.63 -0.71 -0.25 0.00 -0.36 0.00 0.00 55.97 55.28 1x5m s LYS 19 Cb -0.14 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1x5m s LYS 19 CO 0.32 -0.37 1.66 0.42 -0.36 0.00 0.00 175.35 177.02 1x5m s ILE 20 N 1.58 3.63 -0.07 5.43 1.01 -0.59 -4.76 121.20 127.44 1x5m s ILE 20 Ca 0.04 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 1x5m s ILE 20 Cb -0.17 -4.49 -0.30 0.00 0.01 0.00 0.00 42.46 37.52 1x5m s ILE 20 CO 0.05 -1.41 0.79 0.77 0.00 0.00 0.00 174.94 175.13 1x5m h SER 21 N 11.23 0.44 -3.85 3.58 4.64 -1.96 -3.44 113.55 124.20 1x5m h SER 21 Ca 0.01 -0.92 -0.64 0.00 -0.47 0.00 0.00 61.79 59.77 1x5m h SER 21 Cb 1.04 -0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 62.82 1x5m h SER 21 CO 1.29 1.46 -0.46 0.21 -0.87 0.00 0.00 176.83 178.47 1x5m s ASN 22 N -6.99 6.07 -0.14 4.97 2.47 -1.26 -5.05 114.94 115.01 1x5m s ASN 22 Ca -0.16 0.01 -0.09 0.00 0.42 0.00 0.00 52.86 53.05 1x5m s ASN 22 Cb 0.02 -2.14 0.05 0.00 -1.45 0.00 0.00 41.25 37.73 1x5m s ASN 22 CO 0.81 -0.10 0.35 -0.72 -3.72 0.00 0.00 177.10 173.72 1x5m s TYR 23 N 1.82 -0.48 0.08 0.43 -0.85 -1.26 -4.76 117.35 112.33 1x5m s TYR 23 Ca 0.09 1.07 -0.28 0.00 -0.52 0.00 0.00 57.07 57.42 1x5m s TYR 23 Cb -0.16 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.30 1x5m s TYR 23 CO 0.11 -0.28 0.87 0.20 -1.52 0.00 0.00 175.55 174.93 1x5m s GLY 24 N 1.12 2.90 0.04 5.49 0.00 -0.53 -4.96 107.32 111.37 1x5m s GLY 24 Ca -0.08 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.09 1x5m s GLY 24 CO -0.09 1.30 -0.05 0.66 0.00 0.00 0.00 173.10 174.92 1x5m s TRP 25 N 0.02 0.48 -0.07 1.90 1.48 -1.26 0.18 118.94 121.68 1x5m s TRP 25 Ca 0.43 -0.57 -0.11 0.00 -1.06 0.00 0.00 56.10 54.79 1x5m s TRP 25 Cb -0.22 -0.31 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1x5m s TRP 25 CO 0.27 -0.16 0.28 -0.51 -4.06 0.00 0.00 176.95 172.77 1x5m s ASP 26 N -1.69 -0.23 0.04 -2.66 1.11 -0.45 -4.92 116.67 107.86 1x5m s ASP 26 Ca -0.10 0.33 0.06 0.00 0.18 0.00 0.00 52.55 53.02 1x5m s ASP 26 Cb -0.08 0.46 -0.02 0.00 1.07 0.00 0.00 42.92 44.35 1x5m s ASP 26 CO -0.01 -0.24 -0.18 0.00 1.18 0.00 0.00 175.17 175.92 1x5m s GLN 27 N -0.49 1.19 0.02 8.23 0.00 -1.26 -2.11 119.66 125.24 1x5m s GLN 27 Ca -0.06 -0.84 -0.00 0.00 -0.00 0.00 0.00 55.36 54.46 1x5m s GLN 27 Cb -0.04 -1.25 -0.02 0.00 0.00 0.00 0.00 33.01 31.70 1x5m s GLN 27 CO 0.02 0.32 -0.02 -1.12 0.00 0.00 0.00 175.29 174.48 1x5m s SER 28 N -1.10 0.25 -1.10 12.60 0.01 -0.97 -4.98 113.70 118.42 1x5m s SER 28 Ca 0.05 -0.54 -0.26 0.00 1.31 0.00 0.00 55.95 56.51 1x5m s SER 28 Cb -0.08 0.12 -0.20 0.00 0.21 0.00 0.00 66.02 66.06 1x5m s SER 28 CO 0.01 -0.34 2.09 -1.81 0.41 0.00 0.00 173.24 173.61 1x5m s ASP 29 N -1.61 3.67 0.00 2.44 1.11 -1.26 -1.92 116.67 119.11 1x5m s ASP 29 Ca -0.14 -1.08 0.00 0.00 0.18 0.00 0.00 52.55 51.52 1x5m s ASP 29 Cb -0.08 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.31 1x5m s ASP 29 CO -0.02 -4.51 0.00 0.29 1.18 0.00 0.00 175.17 172.12 1x5m n LYS 30 N 8.20 0.00 -3.90 8.23 4.76 -1.26 -4.52 118.16 129.66 1x5m n LYS 30 Ca 0.42 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.77 1x5m n LYS 30 Cb 0.47 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.62 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 -0.05 2.13 0.08 -0.81 -4.16 117.98 115.27 1x5m s PHE 31 Ca 0.00 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.61 1x5m s PHE 31 Cb 0.00 0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.80 1x5m s PHE 31 CO 0.00 -1.04 -0.18 0.08 -0.10 0.00 0.00 175.22 173.98 1x5m s VAL 32 N -3.96 2.71 0.01 -0.44 1.01 -0.46 -2.28 120.40 117.00 1x5m s VAL 32 Ca 0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1x5m s VAL 32 Cb -0.02 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1x5m s VAL 32 CO 0.05 0.58 0.04 -0.75 0.00 0.00 0.00 175.10 175.02 1x5m s LYS 33 N -0.49 0.35 0.10 2.72 2.20 -0.90 0.57 119.74 124.29 1x5m s LYS 33 Ca 0.06 -0.48 0.09 0.00 -0.36 0.00 0.00 55.97 55.28 1x5m s LYS 33 Cb -0.12 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1x5m s LYS 33 CO 0.01 -0.07 -0.23 0.42 -0.36 0.00 0.00 175.35 175.12 1x5m s ILE 34 N -1.30 1.89 -0.26 5.43 1.09 -1.07 -1.34 121.20 125.64 1x5m s ILE 34 Ca -0.14 -1.56 -0.01 0.00 -1.10 0.00 0.00 60.65 57.84 1x5m s ILE 34 Cb -0.08 -1.69 0.08 0.00 -1.06 0.00 0.00 42.46 39.71 1x5m s ILE 34 CO -0.00 0.03 0.05 -0.31 -0.10 0.00 0.00 174.94 174.62 1x5m s TYR 35 N -1.07 1.60 0.07 3.97 1.51 0.48 -2.47 117.35 121.43 1x5m s TYR 35 Ca 0.09 -1.45 0.02 0.00 -1.01 0.00 0.00 57.07 54.73 1x5m s TYR 35 Cb -0.10 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1x5m s TYR 35 CO 0.04 -0.77 0.11 0.42 -1.11 0.00 0.00 175.55 174.24 1x5m s ILE 36 N 1.66 4.72 -0.55 2.71 1.09 -0.99 -1.46 121.20 128.37 1x5m s ILE 36 Ca 0.04 -0.67 -0.19 0.00 -1.10 0.00 0.00 60.65 58.73 1x5m s ILE 36 Cb -0.17 -3.27 0.09 0.00 -1.06 0.00 0.00 42.46 38.04 1x5m s ILE 36 CO -0.16 0.14 0.65 -0.89 -0.10 0.00 0.00 174.94 174.58 1x5m s THR 37 N -1.40 4.88 -0.28 2.92 2.01 -1.26 -1.62 115.64 120.89 1x5m s THR 37 Ca 0.30 -0.85 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 1x5m s THR 37 Cb -0.12 -4.39 0.09 0.00 0.01 0.00 0.00 72.50 68.08 1x5m s THR 37 CO 0.23 -0.97 0.10 -0.22 -0.69 0.00 0.00 174.62 173.06 1x5m s LEU 38 N 2.56 1.50 -0.22 4.42 1.98 -0.76 -4.95 118.68 123.21 1x5m s LEU 38 Ca 0.12 -1.38 -0.29 0.00 -2.89 0.00 0.00 54.13 49.69 1x5m s LEU 38 Cb -0.23 -0.65 -0.01 0.00 0.66 0.00 0.00 46.19 45.97 1x5m s LEU 38 CO 0.08 -0.40 1.24 -0.89 -1.89 0.00 0.00 176.35 174.49 1x5m s THR 39 N 1.82 4.30 0.00 3.68 2.01 -1.25 -2.74 115.64 123.45 1x5m s THR 39 Ca 0.08 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.61 1x5m s THR 39 Cb -0.17 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1x5m s THR 39 CO -0.26 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 1x5m n GLY 40 N 3.80 2.10 0.35 4.40 0.00 -1.26 -3.92 105.19 110.65 1x5m n GLY 40 Ca 0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.33 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 0.49 -0.07 1.61 3.04 -1.87 1.53 116.25 120.98 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 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.09 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 -3.85 0.09 -0.03 3.17 1.44 -1.26 -3.57 115.22 111.21 1x5m n HIS 42 Ca 0.03 -0.04 -0.03 0.00 -2.01 0.00 0.00 57.72 55.66 1x5m n HIS 42 Cb 0.38 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.46 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 -0.23 2.00 -1.48 -1.40 6.02 0.50 -5.01 117.38 117.77 1x5m n GLN 43 Ca 0.17 0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1x5m n GLN 43 Cb 0.22 -1.14 0.08 0.00 1.02 0.00 0.00 30.24 30.42 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 -2.13 2.72 0.90 5.09 -7.23 0.27 -5.01 120.40 115.01 1x5m s VAL 44 Ca -0.05 0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1x5m s VAL 44 Cb 0.02 -2.82 0.13 0.00 0.56 0.00 0.00 36.38 34.27 1x5m s VAL 44 CO 0.19 -0.22 1.13 -2.16 -0.31 0.00 0.00 175.10 173.74 1x5m s PRO 45 N -4.12 1.24 0.00 4.82 0.04 -1.26 -4.93 135.00 130.79 1x5m s PRO 45 Ca 0.70 0.32 0.23 0.00 0.04 0.00 0.00 61.00 62.29 1x5m s PRO 45 Cb -0.24 -1.85 1.09 0.00 0.04 0.00 0.00 34.50 33.54 1x5m s PRO 45 CO 0.46 -2.13 1.74 -2.37 0.04 0.00 0.00 177.00 174.74 1x5m n THR 46 N -3.73 0.34 0.04 1.26 5.66 -1.26 -2.53 114.28 114.07 1x5m n THR 46 Ca 0.07 0.09 -0.06 0.00 -3.05 0.00 0.00 64.05 61.09 1x5m n THR 46 Cb 0.59 -0.70 -0.10 0.00 -1.55 0.00 0.00 70.33 68.56 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 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1x5m h GLU 47 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1x5m h GLU 47 CO 0.00 0.71 -0.60 -0.91 0.07 0.00 0.00 179.01 178.28 1x5m h ASN 48 N 0.00 0.00 -3.60 3.06 4.21 -1.80 -3.42 115.58 114.03 1x5m h ASN 48 Ca -0.11 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 56.70 1x5m h ASN 48 Cb 1.78 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.78 1x5m h ASN 48 CO 0.10 0.60 -0.41 -0.69 -1.29 0.00 0.00 177.43 175.74 1x5m s VAL 49 N -2.92 5.24 -0.23 2.81 1.01 -1.19 -1.31 120.40 123.81 1x5m s VAL 49 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1x5m s VAL 49 Cb 0.08 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1x5m s VAL 49 CO 0.76 -0.20 -0.08 -1.10 0.00 0.00 0.00 175.10 174.48 1x5m s GLN 50 N 1.78 1.88 -0.02 2.72 -0.21 -0.58 -4.84 119.66 120.39 1x5m s GLN 50 Ca 0.07 -1.02 0.05 0.00 0.02 0.00 0.00 55.36 54.48 1x5m s GLN 50 Cb -0.18 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 1x5m s GLN 50 CO 0.11 -0.54 -0.18 0.54 -2.12 0.00 0.00 175.29 173.10 1x5m s VAL 51 N 1.33 1.42 -0.04 1.09 0.11 -1.26 0.21 120.40 123.25 1x5m s VAL 51 Ca -0.05 -0.75 0.05 0.00 -2.93 0.00 0.00 61.98 58.30 1x5m s VAL 51 Cb -0.18 -1.19 -0.01 0.00 -1.53 0.00 0.00 36.38 33.47 1x5m s VAL 51 CO -0.07 0.40 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.64 1x5m s HIS 52 N -0.27 1.87 -0.11 1.54 5.04 0.58 -4.96 115.29 118.99 1x5m s HIS 52 Ca 0.03 -0.53 -0.03 0.00 -1.54 0.00 0.00 55.06 52.99 1x5m s HIS 52 Cb -0.08 -1.25 -0.03 0.00 0.04 0.00 0.00 32.58 31.25 1x5m s HIS 52 CO 0.00 -0.17 0.02 -0.06 -2.34 0.00 0.00 174.74 172.19 1x5m s PHE 53 N -0.04 3.20 0.00 3.88 0.08 -1.26 -0.87 117.98 122.98 1x5m s PHE 53 Ca -0.03 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1x5m s PHE 53 Cb -0.12 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 1x5m s PHE 53 CO 0.02 0.38 0.00 0.25 -0.10 0.00 0.00 175.22 175.78 1x5m n THR 54 N 2.52 0.00 0.10 0.64 -2.24 -0.61 -4.81 114.28 109.89 1x5m n THR 54 Ca -0.18 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1x5m n THR 54 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.40 -1.23 -0.78 4.11 -1.98 -3.38 114.58 111.72 1x5m h GLU 55 Ca 0.00 -0.60 -0.39 0.00 0.07 0.00 0.00 59.36 58.44 1x5m h GLU 55 Cb 0.00 0.21 -0.35 0.00 0.50 0.00 0.00 28.75 29.11 1x5m h GLU 55 CO 0.00 1.26 -1.05 0.54 0.07 0.00 0.00 179.01 179.84 1x5m n ARG 56 N -3.65 1.06 0.00 1.06 5.12 -1.26 0.18 116.66 119.17 1x5m n ARG 56 Ca -0.10 -3.05 0.00 0.00 -1.93 0.00 0.00 57.85 52.77 1x5m n ARG 56 Cb 1.00 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 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 0.07 0.00 -3.58 0.55 3.41 -1.26 -2.79 113.62 110.03 1x5m n SER 57 Ca 0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.75 1x5m n SER 57 Cb 0.74 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 -0.52 0.07 7.33 -0.12 -0.41 -1.57 117.98 120.76 1x5m s PHE 58 Ca 0.00 1.00 0.04 0.00 -0.05 0.00 0.00 56.93 57.92 1x5m s PHE 58 Cb 0.00 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1x5m s PHE 58 CO 0.00 -0.26 -0.02 0.16 -0.05 0.00 0.00 175.22 175.05 1x5m s ASP 59 N 1.58 4.93 -0.13 1.98 -4.77 -0.04 -0.48 116.67 119.74 1x5m s ASP 59 Ca -0.07 -0.17 -0.04 0.00 -3.30 0.00 0.00 52.55 48.97 1x5m s ASP 59 Cb -0.04 -1.17 0.06 0.00 -1.09 0.00 0.00 42.92 40.68 1x5m s ASP 59 CO -0.15 0.20 0.14 -0.22 0.70 0.00 0.00 175.17 175.84 1x5m s LEU 60 N -2.10 0.08 0.03 2.11 0.20 0.50 -0.31 118.68 119.19 1x5m s LEU 60 Ca 0.24 -0.12 -0.00 0.00 0.69 0.00 0.00 54.13 54.93 1x5m s LEU 60 Cb -0.12 0.08 -0.04 0.00 -0.43 0.00 0.00 46.19 45.68 1x5m s LEU 60 CO 0.16 -0.30 0.16 -0.22 -0.29 0.00 0.00 176.35 175.86 1x5m s LEU 61 N 2.23 4.20 -0.28 -0.68 0.20 0.56 -0.41 118.68 124.51 1x5m s LEU 61 Ca 0.04 0.23 -0.01 0.00 0.69 0.00 0.00 54.13 55.08 1x5m s LEU 61 Cb -0.14 -2.68 0.13 0.00 -0.43 0.00 0.00 46.19 43.07 1x5m s LEU 61 CO -0.08 0.21 0.28 -0.69 -0.29 0.00 0.00 176.35 175.79 1x5m s VAL 62 N -1.39 -0.39 0.25 1.68 1.01 -0.34 -1.53 120.40 119.69 1x5m s VAL 62 Ca 0.30 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1x5m s VAL 62 Cb -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1x5m s VAL 62 CO 0.22 -0.43 0.25 -0.54 0.00 0.00 0.00 175.10 174.60 1x5m s LYS 63 N 2.36 3.07 -0.05 2.72 1.02 -0.43 0.05 119.74 128.48 1x5m s LYS 63 Ca 0.09 -0.98 -0.01 0.00 0.02 0.00 0.00 55.97 55.10 1x5m s LYS 63 Cb -0.14 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1x5m s LYS 63 CO -0.30 0.39 0.01 -1.71 -0.92 0.00 0.00 175.35 172.83 1x5m n ASN 64 N -1.26 -6.71 0.00 2.83 5.15 -1.24 -4.75 115.26 109.27 1x5m n ASN 64 Ca -0.08 0.70 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 1x5m n ASN 64 Cb 0.58 -2.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.63 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 1.52 0.00 -3.87 1.20 7.94 0.69 -4.77 117.00 119.71 1x5m n LEU 65 Ca -0.02 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.47 1x5m n LEU 65 Cb 0.34 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.26 1x5m n LEU 65 CO 0.07 0.00 2.26 -3.20 -1.11 0.00 0.00 177.39 175.41 1x5m n ASN 66 N 0.00 3.35 -1.31 1.96 2.85 -1.25 -3.98 115.26 116.88 1x5m n ASN 66 Ca 0.00 -2.77 -0.17 0.00 -0.11 0.00 0.00 54.58 51.53 1x5m n ASN 66 Cb 0.00 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 39.50 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 4.59 1.58 0.00 8.20 0.00 -1.26 -4.88 105.19 113.41 1x5m n GLY 67 Ca 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.52 0.00 -4.11 1.61 2.85 -1.26 -5.13 118.16 109.61 1x5m n LYS 68 Ca -0.17 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.95 1x5m n LYS 68 Cb 0.55 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.82 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 -0.98 1.15 0.08 -5.58 1.04 -1.26 0.25 113.70 108.39 1x5m s SER 69 Ca 0.00 -0.64 0.05 0.00 0.48 0.00 0.00 55.95 55.84 1x5m s SER 69 Cb 0.00 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1x5m s SER 69 CO 0.00 -0.21 -0.14 -0.31 0.98 0.00 0.00 173.24 173.56 1x5m s TYR 70 N -1.69 1.25 -0.01 5.02 1.51 0.11 0.18 117.35 123.70 1x5m s TYR 70 Ca -0.04 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1x5m s TYR 70 Cb -0.08 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.08 1x5m s TYR 70 CO 0.00 0.07 -0.08 -1.54 -1.11 0.00 0.00 175.55 172.89 1x5m s SER 71 N -1.90 1.05 -0.11 2.29 1.04 0.50 -1.20 113.70 115.36 1x5m s SER 71 Ca 0.00 -0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 1x5m s SER 71 Cb -0.09 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 65.91 1x5m s SER 71 CO 0.02 0.09 0.20 -0.32 0.98 0.00 0.00 173.24 174.22 1x5m s MET 72 N -0.05 0.09 0.01 4.02 0.00 0.45 -1.54 119.30 122.28 1x5m s MET 72 Ca 0.01 0.59 0.01 0.00 0.00 0.00 0.00 55.69 56.30 1x5m s MET 72 Cb -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 34.83 34.48 1x5m s MET 72 CO -0.00 -0.34 -0.04 0.42 0.00 0.00 0.00 175.02 175.06 1x5m s ILE 73 N 2.34 0.30 -0.11 10.11 1.01 -1.26 0.19 121.20 133.78 1x5m s ILE 73 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1x5m s ILE 73 Cb -0.12 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1x5m s ILE 73 CO -0.07 -0.10 -0.10 0.68 0.00 0.00 0.00 174.94 175.34 1x5m s VAL 74 N -0.54 1.18 -0.07 2.92 -7.23 0.37 -4.99 120.40 112.04 1x5m s VAL 74 Ca -0.03 -0.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.77 1x5m s VAL 74 Cb -0.04 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 1x5m s VAL 74 CO -0.00 0.39 -0.23 0.20 -0.31 0.00 0.00 175.10 175.15 1x5m s ASN 75 N 1.38 3.23 -0.03 4.85 0.01 -1.26 -1.28 114.94 121.84 1x5m s ASN 75 Ca -0.00 -0.48 -0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1x5m s ASN 75 Cb -0.13 -1.05 0.00 0.00 0.41 0.00 0.00 41.25 40.48 1x5m s ASN 75 CO -0.05 0.22 0.02 0.59 -1.51 0.00 0.00 177.10 176.37 1x5m n ASN 76 N 3.09 -2.42 -4.75 -1.22 3.02 -1.13 -4.73 115.26 107.12 1x5m n ASN 76 Ca -0.18 0.07 -0.37 0.00 -0.03 0.00 0.00 54.58 54.07 1x5m n ASN 76 Cb 0.52 -1.30 -0.07 0.00 -0.61 0.00 0.00 39.78 38.32 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 -0.56 4.29 0.28 3.41 1.43 -1.12 0.10 118.68 126.52 1x5m s LEU 77 Ca 0.01 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1x5m s LEU 77 Cb -0.00 -2.48 0.63 0.00 0.03 0.00 0.00 46.19 44.37 1x5m s LEU 77 CO 0.05 0.12 1.45 -0.11 0.23 0.00 0.00 176.35 178.10 1x5m n LEU 78 N 3.25 -0.17 -4.32 1.79 7.94 -1.25 -4.27 117.00 119.97 1x5m n LEU 78 Ca -0.11 1.58 -0.17 0.00 -1.11 0.00 0.00 56.01 56.19 1x5m n LEU 78 Cb 0.52 -0.55 -0.10 0.00 0.53 0.00 0.00 43.42 43.82 1x5m n LEU 78 CO 0.40 -1.58 -0.43 -0.54 -1.11 0.00 0.00 177.39 174.13 1x5m s LYS 79 N -5.98 1.25 0.82 1.96 -0.14 -1.26 -4.81 119.74 111.58 1x5m s LYS 79 Ca -0.13 -1.54 -0.12 0.00 -1.36 0.00 0.00 55.97 52.83 1x5m s LYS 79 Cb 0.27 -0.99 0.09 0.00 -1.68 0.00 0.00 37.83 35.51 1x5m s LYS 79 CO 0.72 0.16 1.11 -1.25 -0.76 0.00 0.00 175.35 175.33 1x5m s PRO 80 N -3.64 1.86 -0.06 -1.68 0.04 -1.26 -4.81 135.00 125.46 1x5m s PRO 80 Ca 0.21 0.55 -0.05 0.00 0.04 0.00 0.00 61.00 61.75 1x5m s PRO 80 Cb -0.00 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1x5m s PRO 80 CO 0.05 -1.75 0.16 0.96 0.04 0.00 0.00 177.00 176.46 1x5m s ILE 81 N -3.19 -0.01 -0.17 0.56 -5.25 0.13 -3.21 121.20 110.05 1x5m s ILE 81 Ca 0.61 0.03 -0.29 0.00 -0.99 0.00 0.00 60.65 60.02 1x5m s ILE 81 Cb -0.14 -0.23 -0.02 0.00 2.95 0.00 0.00 42.46 45.01 1x5m s ILE 81 CO 0.54 0.01 1.45 -0.44 -1.79 0.00 0.00 174.94 174.71 1x5m s SER 82 N 0.30 6.70 0.00 4.36 0.01 -0.95 -4.17 113.70 119.95 1x5m s SER 82 Ca -0.02 1.72 -0.24 0.00 1.31 0.00 0.00 55.95 58.73 1x5m s SER 82 Cb -0.03 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 1x5m s SER 82 CO -0.01 -0.97 1.00 0.58 0.41 0.00 0.00 173.24 174.25 1x5m h VAL 83 N 5.74 0.00 -0.25 3.43 2.07 -1.88 1.41 116.25 126.77 1x5m h VAL 83 Ca -0.31 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1x5m h VAL 83 Cb 1.13 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1x5m h VAL 83 CO 0.98 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 178.86 1x5m h GLU 84 N -1.20 0.00 0.00 1.57 5.08 -1.92 1.07 114.58 119.17 1x5m h GLU 84 Ca -0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.07 1x5m h GLU 84 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1x5m h GLU 84 CO 0.14 0.00 -2.18 0.41 -1.00 0.00 0.00 179.01 176.38 1x5m n GLY 85 N -1.41 -1.01 3.69 -3.84 0.00 -1.04 -4.98 105.19 96.60 1x5m n GLY 85 Ca 0.04 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.55 1.11 -3.58 1.61 7.64 0.48 -4.55 113.62 113.79 1x5m n SER 86 Ca -0.20 0.63 -0.12 0.00 1.01 0.00 0.00 58.87 60.19 1x5m n SER 86 Cb 0.90 -1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.54 1x5m n SER 86 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5m s SER 87 N -1.98 -0.37 0.03 6.43 0.01 0.32 -4.93 113.70 113.22 1x5m s SER 87 Ca 0.75 -0.06 0.08 0.00 1.31 0.00 0.00 55.95 58.03 1x5m s SER 87 Cb -0.31 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1x5m s SER 87 CO 0.49 -0.81 -0.24 -0.75 0.41 0.00 0.00 173.24 172.35 1x5m s LYS 88 N -3.19 1.96 0.08 12.44 2.36 -1.26 0.37 119.74 132.50 1x5m s LYS 88 Ca -0.01 -1.02 -0.00 0.00 -2.55 0.00 0.00 55.97 52.38 1x5m s LYS 88 Cb 0.00 -2.06 -0.04 0.00 -1.05 0.00 0.00 37.83 34.68 1x5m s LYS 88 CO -0.08 0.53 -0.02 0.15 1.55 0.00 0.00 175.35 177.49 1x5m s LYS 89 N -1.13 0.74 -0.04 4.03 1.02 -0.17 -4.89 119.74 119.30 1x5m s LYS 89 Ca 0.12 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1x5m s LYS 89 Cb -0.10 0.10 0.02 0.00 -0.52 0.00 0.00 37.83 37.33 1x5m s LYS 89 CO 0.02 -0.11 -0.04 0.08 -0.92 0.00 0.00 175.35 174.38 1x5m s VAL 90 N -3.86 0.47 0.44 3.17 1.01 -1.26 0.23 120.40 120.60 1x5m s VAL 90 Ca 0.12 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.05 1x5m s VAL 90 Cb 0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1x5m s VAL 90 CO -0.06 0.20 0.11 -1.59 0.00 0.00 0.00 175.10 173.76 1x5m s LYS 91 N 0.78 2.13 -0.21 2.72 -2.85 0.60 -4.84 119.74 118.07 1x5m s LYS 91 Ca -0.10 -2.04 -0.37 0.00 -1.00 0.00 0.00 55.97 52.46 1x5m s LYS 91 Cb -0.13 -1.80 -0.13 0.00 -2.06 0.00 0.00 37.83 33.71 1x5m s LYS 91 CO -0.00 -0.18 1.87 2.41 0.10 0.00 0.00 175.35 179.55 1x5m n THR 92 N -1.20 0.41 -3.87 3.79 -1.04 -1.26 -0.19 114.28 110.93 1x5m n THR 92 Ca -0.06 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.54 1x5m n THR 92 Cb 0.66 -1.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.56 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 6.62 -2.79 -3.62 8.00 5.68 -1.26 -4.88 116.55 124.30 1x5m n ASP 93 Ca 0.27 -0.72 -0.15 0.00 -0.50 0.00 0.00 54.79 53.69 1x5m n ASP 93 Cb 0.22 -2.34 -0.07 0.00 -1.14 0.00 0.00 41.12 37.78 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 -3.02 0.00 -0.17 2.12 2.01 0.74 -1.84 115.64 115.48 1x5m s THR 94 Ca 0.59 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.55 1x5m s THR 94 Cb -0.33 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1x5m s THR 94 CO 0.72 -0.01 -0.06 0.54 -0.69 0.00 0.00 174.62 175.12 1x5m s VAL 95 N -0.05 3.50 0.02 3.82 0.11 -0.64 0.22 120.40 127.39 1x5m s VAL 95 Ca -0.03 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1x5m s VAL 95 Cb -0.04 -2.54 -0.04 0.00 -1.53 0.00 0.00 36.38 32.23 1x5m s VAL 95 CO 0.03 0.47 0.24 -0.76 -3.33 0.00 0.00 175.10 171.76 1x5m s LEU 96 N 0.78 4.36 -0.38 2.54 1.43 0.62 -2.36 118.68 125.68 1x5m s LEU 96 Ca -0.02 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1x5m s LEU 96 Cb -0.15 -2.72 0.13 0.00 0.03 0.00 0.00 46.19 43.48 1x5m s LEU 96 CO 0.02 0.23 0.21 -0.63 0.23 0.00 0.00 176.35 176.41 1x5m s ILE 97 N -1.35 0.66 -0.22 -0.59 -1.09 -1.03 -1.00 121.20 116.58 1x5m s ILE 97 Ca 0.29 -1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 56.48 1x5m s ILE 97 Cb -0.13 -1.48 -0.00 0.00 -1.58 0.00 0.00 42.46 39.27 1x5m s ILE 97 CO 0.18 -0.91 1.22 -0.76 -1.23 0.00 0.00 174.94 173.44 1x5m s LEU 98 N 0.91 4.08 -0.29 2.97 1.43 0.16 -2.58 118.68 125.35 1x5m s LEU 98 Ca 0.17 1.47 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1x5m s LEU 98 Cb -0.23 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.53 1x5m s LEU 98 CO -0.04 -0.83 -0.05 0.00 0.23 0.00 0.00 176.35 175.66 1x5m n ARG 100 N 4.39 1.22 -3.75 0.00 5.12 -1.26 -1.35 116.66 121.03 1x5m n ARG 100 Ca -0.09 0.46 -0.35 0.00 -1.93 0.00 0.00 57.85 55.95 1x5m n ARG 100 Cb 0.42 -2.38 -0.05 0.00 -1.16 0.00 0.00 32.46 29.28 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1x5m s LYS 101 N -2.93 3.59 0.18 5.56 1.02 -1.26 -2.23 119.74 123.68 1x5m s LYS 101 Ca 0.76 -0.05 0.15 0.00 0.02 0.00 0.00 55.97 56.84 1x5m s LYS 101 Cb -0.41 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1x5m s LYS 101 CO 0.46 0.66 1.21 -0.22 -0.92 0.00 0.00 175.35 176.53 1x5m h LYS 102 N 4.07 0.00 -2.48 1.68 3.64 -1.90 -3.41 116.57 118.18 1x5m h LYS 102 Ca -0.50 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.73 1x5m h LYS 102 Cb 1.20 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.72 1x5m h LYS 102 CO 0.65 0.49 -0.45 0.54 -2.27 0.00 0.00 179.45 178.41 1x5m s VAL 103 N -2.91 -0.56 1.41 2.00 0.11 -1.26 -5.05 120.40 114.14 1x5m s VAL 103 Ca 0.01 0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 58.98 1x5m s VAL 103 Cb 0.08 -0.64 0.36 0.00 -1.53 0.00 0.00 36.38 34.66 1x5m s VAL 103 CO 0.78 0.03 0.93 -1.61 -3.33 0.00 0.00 175.10 171.90 1x5m s GLU 104 N 2.53 -2.87 -1.11 1.54 8.01 -1.26 -4.08 118.70 121.47 1x5m s GLU 104 Ca 0.02 0.17 -0.23 0.00 0.01 0.00 0.00 54.97 54.94 1x5m s GLU 104 Cb -0.13 -1.38 0.01 0.00 -4.31 0.00 0.00 34.13 28.32 1x5m s GLU 104 CO -0.12 -4.84 0.73 0.09 0.01 0.00 0.00 175.26 171.12 1x5m n ASN 105 N -5.61 -4.93 -3.46 -0.19 3.02 -1.26 -4.94 115.26 97.90 1x5m n ASN 105 Ca 0.12 -1.08 -0.22 0.00 -0.03 0.00 0.00 54.58 53.37 1x5m n ASN 105 Cb 0.60 -2.58 -0.12 0.00 -0.61 0.00 0.00 39.78 37.07 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 -3.41 -0.27 0.55 3.41 2.01 -1.26 -5.08 115.64 111.59 1x5m s THR 106 Ca 0.41 -0.58 -0.20 0.00 0.31 0.00 0.00 61.69 61.63 1x5m s THR 106 Cb -0.18 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1x5m s THR 106 CO 0.91 -0.56 1.23 -0.60 -0.69 0.00 0.00 174.62 174.90 1x5m s ARG 107 N 2.26 3.21 -0.47 4.92 3.52 -1.26 -4.86 118.95 126.27 1x5m s ARG 107 Ca 0.09 1.89 -0.00 0.00 -0.13 0.00 0.00 55.73 57.58 1x5m s ARG 107 Cb -0.15 -2.12 0.13 0.00 -1.56 0.00 0.00 34.95 31.25 1x5m s ARG 107 CO -0.34 -1.03 0.25 -1.58 -0.81 0.00 0.00 175.30 171.79 1x5m s TRP 108 N -1.52 3.51 0.55 5.12 0.52 -1.26 -4.92 118.94 120.93 1x5m s TRP 108 Ca 0.73 -2.74 0.23 0.00 0.02 0.00 0.00 56.10 54.34 1x5m s TRP 108 Cb -0.32 -3.10 1.45 0.00 -1.15 0.00 0.00 33.47 30.36 1x5m s TRP 108 CO 0.36 -0.90 2.11 -0.44 0.02 0.00 0.00 176.95 178.10 1x5m h ASP 109 N 7.44 0.00 -3.76 2.95 3.32 -1.95 -3.41 116.42 121.00 1x5m h ASP 109 Ca -0.07 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1x5m h ASP 109 Cb 0.99 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.29 1x5m h ASP 109 CO 0.67 0.00 -0.30 -0.31 -1.72 0.00 0.00 179.24 177.58 1x5m s TYR 110 N -4.91 -0.42 0.50 4.55 2.02 -1.26 -4.99 117.35 112.84 1x5m s TYR 110 Ca -0.05 1.01 0.30 0.00 -0.37 0.00 0.00 57.07 57.96 1x5m s TYR 110 Cb 0.17 0.15 1.40 0.00 -0.40 0.00 0.00 41.96 43.28 1x5m s TYR 110 CO 0.65 -0.21 1.81 1.25 -1.57 0.00 0.00 175.55 177.47 1x5m h LEU 111 N 5.84 0.14 -8.69 -1.29 6.46 -1.97 -3.37 115.31 112.43 1x5m h LEU 111 Ca -0.29 0.03 -0.47 0.00 -0.12 0.00 0.00 57.88 57.03 1x5m h LEU 111 Cb 1.18 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 40.93 1x5m h LEU 111 CO 0.28 0.03 -0.78 0.42 -0.62 0.00 0.00 178.44 177.77 1x5m s THR 112 N -5.12 1.56 0.19 1.05 -4.23 -1.26 -3.91 115.64 103.91 1x5m s THR 112 Ca -0.06 -1.76 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 1x5m s THR 112 Cb 0.23 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.47 1x5m s THR 112 CO 0.80 -0.33 1.61 -0.61 -0.54 0.00 0.00 174.62 175.55 1x5m h GLN 113 N 3.50 0.95 -0.59 3.99 4.15 0.52 -3.20 115.11 124.43 1x5m h GLN 113 Ca -0.42 -0.36 0.06 0.00 0.77 0.00 0.00 58.65 58.70 1x5m h GLN 113 Cb 1.20 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.75 1x5m h GLN 113 CO 0.49 1.02 -0.48 -0.24 -1.93 0.00 0.00 178.83 177.70 1x5m h VAL 114 N 0.84 0.00 -0.92 2.39 3.04 -1.85 0.48 116.25 120.23 1x5m h VAL 114 Ca 0.13 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.93 1x5m h VAL 114 Cb 0.69 0.00 -0.13 0.00 -2.01 0.00 0.00 31.29 29.85 1x5m h VAL 114 CO 0.05 0.00 -0.45 1.21 -1.01 0.00 0.00 177.57 177.37 1x5m n GLU 115 N -4.90 -0.31 0.00 4.17 4.07 -1.21 -1.43 120.64 121.03 1x5m n GLU 115 Ca -0.01 1.40 0.00 0.00 -0.06 0.00 0.00 57.16 58.49 1x5m n GLU 115 Cb 0.25 -2.07 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 1x5m n GLU 115 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1x5m n LYS 116 N -5.25 0.00 -0.10 5.31 4.81 0.13 0.19 118.16 123.26 1x5m n LYS 116 Ca 0.05 0.72 -0.03 0.00 -0.87 0.00 0.00 58.31 58.19 1x5m n LYS 116 Cb 0.30 -1.23 -0.02 0.00 0.02 0.00 0.00 35.03 34.09 1x5m n LYS 116 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1x5m n GLU 117 N -1.91 -0.10 -0.23 1.64 -0.58 -0.57 0.19 120.64 119.07 1x5m n GLU 117 Ca 0.00 1.00 -0.10 0.00 -0.42 0.00 0.00 57.16 57.63 1x5m n GLU 117 Cb 0.00 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.30 1x5m n GLU 117 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5m h LYS 119 N -0.17 -0.30 0.00 0.00 1.79 0.48 -3.32 116.57 115.04 1x5m h LYS 119 Ca 0.10 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1x5m h LYS 119 Cb 0.42 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1x5m h LYS 119 CO -0.64 -0.20 0.00 0.39 -1.08 0.00 0.00 179.45 177.92 1x5m n GLU 120 N -4.37 0.00 -3.97 3.15 -0.58 0.49 -4.96 120.64 110.40 1x5m n GLU 120 Ca -0.03 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.62 1x5m n GLU 120 Cb 0.23 -0.19 -0.08 0.00 -0.57 0.00 0.00 31.44 30.83 1x5m n GLU 120 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1x5m s LYS 121 N 0.00 1.02 -0.10 3.49 1.02 0.20 -5.05 119.74 120.32 1x5m s LYS 121 Ca 0.00 -1.16 -0.07 0.00 0.02 0.00 0.00 55.97 54.76 1x5m s LYS 121 Cb 0.00 0.34 0.03 0.00 -0.52 0.00 0.00 37.83 37.68 1x5m s LYS 121 CO 0.00 -0.34 0.14 0.43 -0.92 0.00 0.00 175.35 174.66 1x5m n SER 122 N -0.14 -4.02 0.00 2.83 7.64 -1.26 -4.29 113.62 114.38 1x5m n SER 122 Ca -0.09 1.49 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1x5m n SER 122 Cb 0.63 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 123 N 1.68 2.31 0.00 0.23 0.00 -1.26 -3.84 105.19 104.30 1x5m n GLY 123 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.42 0.00 -3.15 1.61 -0.04 -1.26 -4.97 135.00 126.77 1x5m n PRO 124 Ca 0.00 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1x5m n PRO 124 Cb 0.00 -0.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1x5m n PRO 124 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5m s SER 125 N -1.69 -1.17 -0.20 3.54 0.15 -1.26 -5.13 113.70 107.93 1x5m s SER 125 Ca 0.00 0.24 -0.26 0.00 0.70 0.00 0.00 55.95 56.63 1x5m s SER 125 Cb 0.00 1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 66.09 1x5m s SER 125 CO 0.00 -0.22 0.89 -0.44 1.20 0.00 0.00 173.24 174.67 1x5m s SER 126 N 2.88 6.97 0.00 5.45 0.01 -1.26 -5.20 113.70 122.55 1x5m s SER 126 Ca 0.16 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.61 1x5m s SER 126 Cb -0.08 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1x5m s SER 126 CO -0.23 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.53