#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m s SER 2 N 0.00 -0.47 -0.19 1.61 0.15 -1.26 -5.14 113.70 108.40 1x5m s SER 2 Ca 0.00 0.87 -0.02 0.00 0.70 0.00 0.00 55.95 57.50 1x5m s SER 2 Cb 0.00 0.78 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1x5m s SER 2 CO 0.00 -0.19 -0.09 -0.94 1.20 0.00 0.00 173.24 173.22 1x5m s SER 3 N 1.49 4.10 0.00 5.45 1.04 -1.26 -4.72 113.70 119.80 1x5m s SER 3 Ca -0.09 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1x5m s SER 3 Cb -0.09 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1x5m s SER 3 CO -0.12 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1x5m n GLY 4 N 4.34 2.37 1.53 7.32 0.00 -1.26 -4.90 105.19 114.59 1x5m n GLY 4 Ca -0.18 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 1x5m n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5m n SER 5 N 2.59 -2.25 -3.95 1.61 2.88 -1.26 -5.06 113.62 108.18 1x5m n SER 5 Ca 0.00 0.26 -0.29 0.00 -1.33 0.00 0.00 58.87 57.51 1x5m n SER 5 Cb 0.00 -1.73 -0.16 0.00 -0.75 0.00 0.00 64.21 61.56 1x5m n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5m s SER 6 N -0.11 2.83 -1.44 -3.46 0.15 -1.26 -5.04 113.70 105.37 1x5m s SER 6 Ca -0.03 -0.62 -0.14 0.00 0.70 0.00 0.00 55.95 55.86 1x5m s SER 6 Cb 0.00 -1.06 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 1x5m s SER 6 CO 0.09 -0.13 2.28 0.61 1.20 0.00 0.00 173.24 177.29 1x5m n GLY 7 N 4.81 4.32 2.80 9.45 0.00 -1.26 -4.81 105.19 120.49 1x5m n GLY 7 Ca -0.14 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.02 1x5m n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x5m s VAL 8 N 3.19 0.94 0.04 1.61 -7.23 -1.26 -5.11 120.40 112.58 1x5m s VAL 8 Ca 0.49 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.68 1x5m s VAL 8 Cb 0.14 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1x5m s VAL 8 CO -0.08 -0.33 -0.12 0.54 -0.31 0.00 0.00 175.10 174.80 1x5m s VAL 9 N 1.64 0.96 -0.32 1.32 0.11 -1.26 -5.12 120.40 117.73 1x5m s VAL 9 Ca 0.01 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1x5m s VAL 9 Cb -0.18 -0.89 0.10 0.00 -1.53 0.00 0.00 36.38 33.88 1x5m s VAL 9 CO -0.13 -0.06 0.07 0.00 -3.33 0.00 0.00 175.10 171.65 1x5m s ALA 10 N -0.90 2.11 0.01 1.54 0.00 -1.26 -5.10 121.76 118.16 1x5m s ALA 10 Ca -0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1x5m s ALA 10 Cb -0.08 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1x5m s ALA 10 CO 0.01 -1.65 1.19 -1.25 0.00 0.00 0.00 175.76 174.06 1x5m s PRO 11 N 1.32 4.41 0.83 0.00 0.04 -1.26 -5.01 135.00 135.33 1x5m s PRO 11 Ca 0.09 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1x5m s PRO 11 Cb -0.18 -3.44 0.10 0.00 0.04 0.00 0.00 34.50 31.01 1x5m s PRO 11 CO -0.17 -0.32 1.13 0.96 0.04 0.00 0.00 177.00 178.63 1x5m s ILE 12 N 1.53 2.67 -0.45 0.56 -5.25 -1.26 -5.01 121.20 113.99 1x5m s ILE 12 Ca 0.57 0.23 0.03 0.00 -0.99 0.00 0.00 60.65 60.49 1x5m s ILE 12 Cb -0.27 -2.50 0.12 0.00 2.95 0.00 0.00 42.46 42.76 1x5m s ILE 12 CO 0.26 -0.27 0.20 0.42 -1.79 0.00 0.00 174.94 173.76 1x5m s THR 13 N -2.71 2.11 -0.02 8.37 -4.23 -1.26 -4.94 115.64 112.96 1x5m s THR 13 Ca 0.65 -2.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 1x5m s THR 13 Cb -0.21 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1x5m s THR 13 CO 0.56 -0.78 0.02 1.07 -0.54 0.00 0.00 174.62 174.95 1x5m n THR 14 N 3.55 -1.87 -3.61 3.99 5.66 -1.26 -4.97 114.28 115.77 1x5m n THR 14 Ca 0.05 0.44 -0.26 0.00 -3.05 0.00 0.00 64.05 61.22 1x5m n THR 14 Cb 0.35 -2.73 -0.17 0.00 -1.55 0.00 0.00 70.33 66.23 1x5m n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1x5m s GLY 15 N -0.92 0.39 0.12 1.09 0.00 -1.26 -5.12 107.32 101.62 1x5m s GLY 15 Ca 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 44.72 44.05 1x5m s GLY 15 CO 0.03 1.75 1.04 -2.52 0.00 0.00 0.00 173.10 173.40 1x5m s TYR 16 N 2.11 -0.08 0.03 1.90 1.13 -1.26 -5.18 117.35 116.00 1x5m s TYR 16 Ca 0.03 -0.20 0.03 0.00 -1.41 0.00 0.00 57.07 55.52 1x5m s TYR 16 Cb -0.16 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1x5m s TYR 16 CO -0.12 -0.72 -0.09 0.99 -2.51 0.00 0.00 175.55 173.10 1x5m s THR 17 N -2.93 0.65 0.56 -3.49 2.01 -1.26 -4.41 115.64 106.77 1x5m s THR 17 Ca 0.14 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 1x5m s THR 17 Cb -0.00 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 1x5m s THR 17 CO 0.01 -0.13 1.02 -0.69 -0.69 0.00 0.00 174.62 174.14 1x5m s VAL 18 N -0.87 4.21 -0.36 3.82 1.01 0.53 -4.75 120.40 123.99 1x5m s VAL 18 Ca -0.03 1.01 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 1x5m s VAL 18 Cb -0.07 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1x5m s VAL 18 CO 0.00 -0.65 0.18 -0.54 0.00 0.00 0.00 175.10 174.09 1x5m s LYS 19 N -4.20 2.82 -0.57 2.72 1.02 -1.26 0.18 119.74 120.45 1x5m s LYS 19 Ca 0.61 -1.07 -0.27 0.00 0.02 0.00 0.00 55.97 55.25 1x5m s LYS 19 Cb -0.13 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 1x5m s LYS 19 CO 0.36 -0.67 1.88 0.42 -0.92 0.00 0.00 175.35 176.42 1x5m s ILE 20 N 1.53 3.36 -0.14 2.17 1.01 -0.36 -4.80 121.20 123.96 1x5m s ILE 20 Ca 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 1x5m s ILE 20 Cb -0.19 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1x5m s ILE 20 CO 0.06 -0.80 -0.03 -1.28 0.00 0.00 0.00 174.94 172.89 1x5m h SER 21 N 14.93 0.00 -3.39 3.58 0.87 -1.96 -3.45 113.55 124.13 1x5m h SER 21 Ca -0.27 -0.11 -0.60 0.00 -1.23 0.00 0.00 61.79 59.58 1x5m h SER 21 Cb 1.17 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.03 1x5m h SER 21 CO 1.19 0.78 0.32 0.21 -0.53 0.00 0.00 176.83 178.81 1x5m s ASN 22 N -5.84 6.70 -0.12 6.23 3.84 -1.26 -5.03 114.94 119.46 1x5m s ASN 22 Ca -0.12 0.84 -0.09 0.00 0.21 0.00 0.00 52.86 53.70 1x5m s ASN 22 Cb 0.02 -2.39 0.04 0.00 -0.55 0.00 0.00 41.25 38.37 1x5m s ASN 22 CO 0.23 -0.46 0.30 -0.72 -2.79 0.00 0.00 177.10 173.65 1x5m s TYR 23 N 2.70 -0.36 0.04 0.43 -0.85 -1.26 -4.76 117.35 113.29 1x5m s TYR 23 Ca 0.31 0.86 -0.27 0.00 -0.52 0.00 0.00 57.07 57.45 1x5m s TYR 23 Cb -0.15 0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.25 1x5m s TYR 23 CO 0.08 -0.21 0.84 0.20 -1.52 0.00 0.00 175.55 174.95 1x5m s GLY 24 N 0.67 2.85 0.05 5.49 0.00 -0.58 -4.96 107.32 110.83 1x5m s GLY 24 Ca -0.04 0.39 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1x5m s GLY 24 CO -0.04 1.30 -0.09 0.66 0.00 0.00 0.00 173.10 174.93 1x5m s TRP 25 N 0.23 0.75 -0.11 1.90 1.48 -1.26 0.19 118.94 122.11 1x5m s TRP 25 Ca 0.43 -0.50 -0.11 0.00 -1.06 0.00 0.00 56.10 54.86 1x5m s TRP 25 Cb -0.21 -0.44 0.03 0.00 -1.16 0.00 0.00 33.47 31.69 1x5m s TRP 25 CO 0.25 -0.07 0.30 -0.51 -4.06 0.00 0.00 176.95 172.87 1x5m s ASP 26 N -1.62 -0.31 0.08 -2.66 1.11 -0.24 -4.91 116.67 108.14 1x5m s ASP 26 Ca -0.09 0.57 0.09 0.00 0.18 0.00 0.00 52.55 53.31 1x5m s ASP 26 Cb -0.10 0.60 -0.03 0.00 1.07 0.00 0.00 42.92 44.46 1x5m s ASP 26 CO 0.01 -0.13 -0.23 0.00 1.18 0.00 0.00 175.17 175.99 1x5m s GLN 27 N 0.05 1.39 0.03 8.23 0.00 -1.26 -1.71 119.66 126.39 1x5m s GLN 27 Ca -0.01 -1.13 0.02 0.00 -0.00 0.00 0.00 55.36 54.23 1x5m s GLN 27 Cb -0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 33.01 31.31 1x5m s GLN 27 CO 0.01 0.41 -0.06 -1.12 0.00 0.00 0.00 175.29 174.52 1x5m s SER 28 N -1.61 0.64 -0.89 12.60 0.01 -0.24 -5.01 113.70 119.21 1x5m s SER 28 Ca 0.10 -0.43 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 1x5m s SER 28 Cb -0.10 0.03 -0.21 0.00 0.21 0.00 0.00 66.02 65.95 1x5m s SER 28 CO 0.04 -0.16 1.95 0.47 0.41 0.00 0.00 173.24 175.94 1x5m n ASP 29 N 1.85 1.90 0.00 2.44 8.00 -1.26 -1.36 116.55 128.11 1x5m n ASP 29 Ca -0.21 -2.57 0.00 0.00 0.71 0.00 0.00 54.79 52.72 1x5m n ASP 29 Cb 0.56 -1.45 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 8.03 0.00 -3.91 -1.24 4.76 -1.26 -4.32 118.16 120.21 1x5m n LYS 30 Ca 0.44 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.80 1x5m n LYS 30 Cb 0.45 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.60 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 0.09 0.01 2.13 0.08 -0.47 -4.02 117.98 115.80 1x5m s PHE 31 Ca 0.00 -0.48 0.06 0.00 0.12 0.00 0.00 56.93 56.63 1x5m s PHE 31 Cb 0.00 0.42 -0.02 0.00 -0.57 0.00 0.00 43.02 42.85 1x5m s PHE 31 CO 0.00 -1.08 -0.20 0.08 -0.10 0.00 0.00 175.22 173.92 1x5m s VAL 32 N -3.96 1.56 -0.00 -0.44 1.01 -0.31 -1.07 120.40 117.18 1x5m s VAL 32 Ca 0.16 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1x5m s VAL 32 Cb -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 35.04 1x5m s VAL 32 CO 0.07 0.34 0.20 -0.75 0.00 0.00 0.00 175.10 174.95 1x5m s LYS 33 N -0.72 0.54 0.05 2.72 2.20 -0.69 0.15 119.74 123.98 1x5m s LYS 33 Ca 0.07 -0.33 0.08 0.00 -0.36 0.00 0.00 55.97 55.44 1x5m s LYS 33 Cb -0.08 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1x5m s LYS 33 CO 0.00 -0.14 -0.24 0.42 -0.36 0.00 0.00 175.35 175.04 1x5m s ILE 34 N -1.36 1.91 -0.27 5.43 1.09 -0.81 -1.07 121.20 126.12 1x5m s ILE 34 Ca -0.14 -1.32 0.00 0.00 -1.10 0.00 0.00 60.65 58.09 1x5m s ILE 34 Cb -0.07 -1.65 0.08 0.00 -1.06 0.00 0.00 42.46 39.76 1x5m s ILE 34 CO 0.02 0.27 0.04 -0.31 -0.10 0.00 0.00 174.94 174.86 1x5m s TYR 35 N -0.82 2.12 -0.06 3.97 1.51 0.49 -1.81 117.35 122.75 1x5m s TYR 35 Ca 0.10 -1.80 -0.04 0.00 -1.01 0.00 0.00 57.07 54.32 1x5m s TYR 35 Cb -0.09 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 1x5m s TYR 35 CO 0.02 -0.82 0.13 0.42 -1.11 0.00 0.00 175.55 174.19 1x5m s ILE 36 N 1.48 5.21 -0.55 2.71 1.09 -0.83 -1.53 121.20 128.78 1x5m s ILE 36 Ca 0.04 -0.08 -0.22 0.00 -1.10 0.00 0.00 60.65 59.28 1x5m s ILE 36 Cb -0.18 -3.34 0.05 0.00 -1.06 0.00 0.00 42.46 37.93 1x5m s ILE 36 CO -0.14 0.46 0.85 -0.89 -0.10 0.00 0.00 174.94 175.12 1x5m s THR 37 N -1.15 4.52 -0.26 2.92 2.01 -1.26 -1.50 115.64 120.91 1x5m s THR 37 Ca 0.21 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 1x5m s THR 37 Cb -0.12 -4.49 0.09 0.00 0.01 0.00 0.00 72.50 67.99 1x5m s THR 37 CO 0.11 -1.08 0.11 -0.22 -0.69 0.00 0.00 174.62 172.85 1x5m s LEU 38 N 3.58 0.86 -0.23 4.42 1.98 0.29 -4.94 118.68 124.64 1x5m s LEU 38 Ca 0.25 -1.19 -0.29 0.00 -2.89 0.00 0.00 54.13 50.00 1x5m s LEU 38 Cb -0.15 -0.44 0.00 0.00 0.66 0.00 0.00 46.19 46.26 1x5m s LEU 38 CO 0.16 -0.41 1.14 -0.89 -1.89 0.00 0.00 176.35 174.46 1x5m s THR 39 N 2.00 4.48 0.00 3.68 2.01 -1.22 -2.15 115.64 124.44 1x5m s THR 39 Ca 0.07 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.83 1x5m s THR 39 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1x5m s THR 39 CO -0.28 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 1x5m n GLY 40 N 3.60 2.50 0.34 4.40 0.00 -1.26 -4.54 105.19 110.23 1x5m n GLY 40 Ca 0.13 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 0.01 -0.18 1.61 3.04 -1.88 1.57 116.25 120.42 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 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 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 -2.99 0.23 0.14 3.17 1.44 -1.26 -3.49 115.22 112.46 1x5m n HIS 42 Ca -0.02 -0.12 0.03 0.00 -2.01 0.00 0.00 57.72 55.60 1x5m n HIS 42 Cb 0.23 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.29 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 0.37 2.20 -2.35 -1.40 6.02 0.53 -5.01 117.38 117.74 1x5m n GLN 43 Ca 0.16 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1x5m n GLN 43 Cb 0.34 -1.02 -0.02 0.00 1.02 0.00 0.00 30.24 30.55 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 -2.12 4.60 0.91 5.09 -7.23 -0.90 -5.06 120.40 115.69 1x5m s VAL 44 Ca -0.00 1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 61.11 1x5m s VAL 44 Cb 0.05 -3.75 0.14 0.00 0.56 0.00 0.00 36.38 33.37 1x5m s VAL 44 CO 0.29 -0.76 1.14 -2.16 -0.31 0.00 0.00 175.10 173.29 1x5m s PRO 45 N -4.27 1.18 0.00 4.82 0.04 -1.26 -4.93 135.00 130.58 1x5m s PRO 45 Ca 0.57 0.31 0.26 0.00 0.04 0.00 0.00 61.00 62.18 1x5m s PRO 45 Cb -0.10 -1.84 1.39 0.00 0.04 0.00 0.00 34.50 33.99 1x5m s PRO 45 CO 0.36 -2.17 1.89 -2.37 0.04 0.00 0.00 177.00 174.74 1x5m n THR 46 N -3.75 0.12 0.13 1.26 5.66 -1.26 -2.45 114.28 113.99 1x5m n THR 46 Ca 0.07 0.03 0.12 0.00 -3.05 0.00 0.00 64.05 61.21 1x5m n THR 46 Cb 0.59 -0.61 0.03 0.00 -1.55 0.00 0.00 70.33 68.79 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 -3.30 114.58 114.48 1x5m h GLU 47 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1x5m h GLU 47 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x5m h GLU 47 CO 0.00 0.00 -1.43 0.09 0.07 0.00 0.00 179.01 177.74 1x5m n ASN 48 N -2.74 0.62 -4.35 3.06 3.02 -1.02 -4.64 115.26 109.21 1x5m n ASN 48 Ca 0.01 0.25 -0.46 0.00 -0.03 0.00 0.00 54.58 54.34 1x5m n ASN 48 Cb 0.55 0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 40.42 1x5m n ASN 48 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1x5m s VAL 49 N -3.21 5.42 -0.30 2.41 1.01 -1.18 -1.61 120.40 122.94 1x5m s VAL 49 Ca -0.03 -2.18 -0.05 0.00 0.00 0.00 0.00 61.98 59.71 1x5m s VAL 49 Cb 0.10 -4.50 0.03 0.00 0.00 0.00 0.00 36.38 32.01 1x5m s VAL 49 CO 0.82 -1.08 0.05 -1.10 0.00 0.00 0.00 175.10 173.80 1x5m s GLN 50 N 0.76 2.79 -0.04 2.72 -0.21 -0.54 -4.89 119.66 120.26 1x5m s GLN 50 Ca 0.18 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1x5m s GLN 50 Cb -0.12 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.58 1x5m s GLN 50 CO -0.07 -0.54 -0.11 0.54 -2.12 0.00 0.00 175.29 173.00 1x5m s VAL 51 N 1.40 0.93 -0.05 1.09 0.11 -1.26 0.17 120.40 122.80 1x5m s VAL 51 Ca -0.00 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 58.68 1x5m s VAL 51 Cb -0.18 -0.83 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1x5m s VAL 51 CO 0.01 0.29 -0.22 -2.28 -3.33 0.00 0.00 175.10 169.56 1x5m s HIS 52 N 0.28 2.18 -0.02 1.54 2.46 0.41 -4.95 115.29 117.19 1x5m s HIS 52 Ca -0.05 -0.62 -0.01 0.00 0.47 0.00 0.00 55.06 54.85 1x5m s HIS 52 Cb -0.11 -1.44 -0.04 0.00 -0.13 0.00 0.00 32.58 30.87 1x5m s HIS 52 CO 0.01 -0.18 0.08 -0.06 -2.47 0.00 0.00 174.74 172.11 1x5m s PHE 53 N -0.14 3.29 0.00 3.88 0.08 -1.26 -0.55 117.98 123.27 1x5m s PHE 53 Ca -0.02 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.25 1x5m s PHE 53 Cb -0.13 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1x5m s PHE 53 CO 0.03 0.55 0.00 0.25 -0.10 0.00 0.00 175.22 175.95 1x5m n THR 54 N 1.32 0.00 0.14 0.64 -2.24 -0.59 -4.80 114.28 108.74 1x5m n THR 54 Ca -0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.41 1x5m n THR 54 Cb 0.53 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.77 -0.78 4.11 -1.96 -3.37 114.58 111.29 1x5m h GLU 55 Ca 0.00 -0.82 -0.46 0.00 0.07 0.00 0.00 59.36 58.15 1x5m h GLU 55 Cb 0.00 0.31 -0.37 0.00 0.50 0.00 0.00 28.75 29.19 1x5m h GLU 55 CO 0.00 1.39 -1.10 0.54 0.07 0.00 0.00 179.01 179.91 1x5m n ARG 56 N -3.67 0.94 0.00 1.06 5.12 -1.26 0.21 116.66 119.06 1x5m n ARG 56 Ca -0.15 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.57 1x5m n ARG 56 Cb 1.09 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.81 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 0.43 0.00 -3.61 0.55 3.41 -1.26 -2.59 113.62 110.54 1x5m n SER 57 Ca 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.80 1x5m n SER 57 Cb 0.65 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 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 -0.83 0.04 7.33 -0.12 -0.36 -1.54 117.98 120.50 1x5m s PHE 58 Ca 0.00 1.61 0.01 0.00 -0.05 0.00 0.00 56.93 58.50 1x5m s PHE 58 Cb 0.00 0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1x5m s PHE 58 CO 0.00 -0.41 0.10 0.16 -0.05 0.00 0.00 175.22 175.02 1x5m s ASP 59 N 1.74 5.75 -0.16 1.98 -4.77 0.28 -0.98 116.67 120.52 1x5m s ASP 59 Ca -0.08 0.11 -0.04 0.00 -3.30 0.00 0.00 52.55 49.24 1x5m s ASP 59 Cb -0.05 -1.64 0.08 0.00 -1.09 0.00 0.00 42.92 40.22 1x5m s ASP 59 CO -0.17 0.22 0.25 -0.22 0.70 0.00 0.00 175.17 175.95 1x5m s LEU 60 N -2.12 -0.25 0.07 2.11 0.20 0.29 -0.44 118.68 118.54 1x5m s LEU 60 Ca 0.27 0.26 0.04 0.00 0.69 0.00 0.00 54.13 55.39 1x5m s LEU 60 Cb -0.12 0.60 -0.04 0.00 -0.43 0.00 0.00 46.19 46.20 1x5m s LEU 60 CO 0.19 -0.28 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.75 1x5m s LEU 61 N 2.39 3.43 -0.28 -0.68 1.98 0.45 0.21 118.68 126.18 1x5m s LEU 61 Ca 0.04 -0.16 -0.01 0.00 -2.89 0.00 0.00 54.13 51.12 1x5m s LEU 61 Cb -0.14 -2.12 0.13 0.00 0.66 0.00 0.00 46.19 44.72 1x5m s LEU 61 CO -0.10 0.20 0.29 -0.69 -1.89 0.00 0.00 176.35 174.16 1x5m s VAL 62 N -1.24 -0.40 0.32 1.68 1.01 0.89 -1.46 120.40 121.19 1x5m s VAL 62 Ca 0.24 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.87 1x5m s VAL 62 Cb -0.12 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1x5m s VAL 62 CO 0.16 -0.41 0.42 -0.54 0.00 0.00 0.00 175.10 174.72 1x5m s LYS 63 N 2.37 3.10 0.00 2.72 3.01 -0.63 0.11 119.74 130.41 1x5m s LYS 63 Ca 0.09 -1.02 0.00 0.00 -1.01 0.00 0.00 55.97 54.03 1x5m s LYS 63 Cb -0.14 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 33.91 1x5m s LYS 63 CO -0.29 0.13 0.00 -1.71 0.51 0.00 0.00 175.35 173.99 1x5m n ASN 64 N -1.55 -6.57 0.00 2.83 2.85 -1.24 -4.79 115.26 106.79 1x5m n ASN 64 Ca -0.02 0.42 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1x5m n ASN 64 Cb 0.58 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 40.04 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 1.35 0.00 -4.34 1.20 7.94 0.52 -4.75 117.00 118.92 1x5m n LEU 65 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1x5m n LEU 65 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1x5m n LEU 65 CO 0.00 0.00 1.08 -0.46 -1.11 0.00 0.00 177.39 176.90 1x5m n ASN 66 N 0.00 5.47 -0.76 1.96 0.23 -1.26 -4.46 115.26 116.44 1x5m n ASN 66 Ca 0.00 -3.05 -0.10 0.00 -0.53 0.00 0.00 54.58 50.90 1x5m n ASN 66 Cb 0.00 -1.44 -0.04 0.00 -2.08 0.00 0.00 39.78 36.22 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x5m n GLY 67 N 3.06 1.04 0.00 4.83 0.00 -1.26 -4.87 105.19 107.99 1x5m n GLY 67 Ca 0.29 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.52 0.00 -4.18 1.61 2.85 -1.26 -5.13 118.16 110.53 1x5m n LYS 68 Ca -0.10 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.00 1x5m n LYS 68 Cb 0.47 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.74 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 -0.90 1.58 0.03 -5.58 0.01 -1.26 0.19 113.70 107.77 1x5m s SER 69 Ca 0.00 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.59 1x5m s SER 69 Cb 0.00 -0.02 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1x5m s SER 69 CO 0.00 -0.17 -0.14 -0.31 0.41 0.00 0.00 173.24 173.04 1x5m s TYR 70 N -1.86 1.20 0.01 2.43 1.51 0.30 0.20 117.35 121.14 1x5m s TYR 70 Ca 0.02 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 1x5m s TYR 70 Cb -0.07 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.05 1x5m s TYR 70 CO 0.01 0.02 -0.10 -1.54 -1.11 0.00 0.00 175.55 172.84 1x5m s SER 71 N -0.92 1.12 -0.15 2.29 1.04 0.48 -0.08 113.70 117.47 1x5m s SER 71 Ca 0.02 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.11 1x5m s SER 71 Cb -0.07 -0.09 0.07 0.00 0.10 0.00 0.00 66.02 66.04 1x5m s SER 71 CO 0.01 0.04 0.32 -0.32 0.98 0.00 0.00 173.24 174.27 1x5m s MET 72 N -0.63 0.21 0.03 4.02 0.00 0.13 -1.22 119.30 121.84 1x5m s MET 72 Ca 0.01 0.85 0.03 0.00 0.00 0.00 0.00 55.69 56.58 1x5m s MET 72 Cb -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 34.83 34.86 1x5m s MET 72 CO 0.00 -0.27 -0.10 0.42 0.00 0.00 0.00 175.02 175.07 1x5m s ILE 73 N 2.44 0.76 -0.12 10.11 1.01 -1.26 0.10 121.20 134.25 1x5m s ILE 73 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1x5m s ILE 73 Cb -0.12 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.67 1x5m s ILE 73 CO -0.10 -0.06 -0.05 0.68 0.00 0.00 0.00 174.94 175.41 1x5m s VAL 74 N -0.78 0.90 -0.14 2.92 -7.23 -0.15 -4.99 120.40 110.93 1x5m s VAL 74 Ca -0.01 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1x5m s VAL 74 Cb -0.07 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.88 1x5m s VAL 74 CO 0.01 0.30 -0.15 0.20 -0.31 0.00 0.00 175.10 175.14 1x5m s ASN 75 N 1.75 3.73 0.00 4.85 0.02 -1.26 -1.22 114.94 122.81 1x5m s ASN 75 Ca 0.04 -0.43 0.00 0.00 -1.02 0.00 0.00 52.86 51.45 1x5m s ASN 75 Cb -0.13 -1.57 0.00 0.00 0.02 0.00 0.00 41.25 39.57 1x5m s ASN 75 CO -0.08 0.11 0.00 0.59 0.02 0.00 0.00 177.10 177.75 1x5m n ASN 76 N 3.88 -1.72 -4.70 -1.22 3.02 -1.07 -4.78 115.26 108.67 1x5m n ASN 76 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 1x5m n ASN 76 Cb 0.52 -0.86 -0.09 0.00 -0.61 0.00 0.00 39.78 38.75 1x5m n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x5m s LEU 77 N 0.00 3.92 0.27 3.41 1.43 -1.19 -0.82 118.68 125.70 1x5m s LEU 77 Ca 0.00 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1x5m s LEU 77 Cb 0.00 -1.97 0.68 0.00 0.03 0.00 0.00 46.19 44.93 1x5m s LEU 77 CO 0.00 0.26 1.34 -0.11 0.23 0.00 0.00 176.35 178.08 1x5m n LEU 78 N 2.94 -0.08 -4.34 1.79 7.94 -1.24 -4.32 117.00 119.68 1x5m n LEU 78 Ca -0.18 1.46 -0.18 0.00 -1.11 0.00 0.00 56.01 56.00 1x5m n LEU 78 Cb 0.53 -0.54 -0.10 0.00 0.53 0.00 0.00 43.42 43.84 1x5m n LEU 78 CO 0.33 -1.48 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.17 1x5m s LYS 79 N -5.79 1.31 0.80 1.96 -0.14 -1.26 -4.83 119.74 111.78 1x5m s LYS 79 Ca -0.11 -1.60 -0.11 0.00 -1.36 0.00 0.00 55.97 52.79 1x5m s LYS 79 Cb 0.25 -1.02 0.07 0.00 -1.68 0.00 0.00 37.83 35.46 1x5m s LYS 79 CO 0.67 0.13 1.10 -1.25 -0.76 0.00 0.00 175.35 175.24 1x5m s PRO 80 N -3.68 2.10 -0.05 -1.68 0.04 -1.26 -4.80 135.00 125.68 1x5m s PRO 80 Ca 0.23 0.65 -0.06 0.00 0.04 0.00 0.00 61.00 61.86 1x5m s PRO 80 Cb 0.01 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1x5m s PRO 80 CO 0.06 -1.61 0.15 0.96 0.04 0.00 0.00 177.00 176.60 1x5m s ILE 81 N -3.15 0.02 -0.03 0.56 -5.25 0.58 -3.17 121.20 110.75 1x5m s ILE 81 Ca 0.61 -0.14 -0.30 0.00 -0.99 0.00 0.00 60.65 59.82 1x5m s ILE 81 Cb -0.14 -0.26 -0.03 0.00 2.95 0.00 0.00 42.46 44.97 1x5m s ILE 81 CO 0.54 -0.08 1.03 -0.44 -1.79 0.00 0.00 174.94 174.20 1x5m s SER 82 N -0.22 7.28 -0.01 4.36 0.01 -1.03 -3.82 113.70 120.28 1x5m s SER 82 Ca -0.03 1.67 -0.02 0.00 1.31 0.00 0.00 55.95 58.88 1x5m s SER 82 Cb -0.02 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1x5m s SER 82 CO 0.00 -0.37 0.44 0.58 0.41 0.00 0.00 173.24 174.31 1x5m h VAL 83 N 4.88 0.00 -1.01 3.43 2.07 -1.87 1.00 116.25 124.74 1x5m h VAL 83 Ca -0.37 -0.09 0.29 0.00 0.82 0.00 0.00 66.70 67.35 1x5m h VAL 83 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1x5m h VAL 83 CO 0.80 0.00 0.97 -0.33 0.02 0.00 0.00 177.57 179.03 1x5m h GLU 84 N -0.17 0.00 0.01 1.57 5.08 -1.93 1.55 114.58 120.70 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 0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1x5m h GLU 84 CO 0.01 0.00 -1.82 0.41 -1.00 0.00 0.00 179.01 176.62 1x5m n GLY 85 N -1.69 -0.94 3.44 -3.84 0.00 -1.20 -4.94 105.19 96.01 1x5m n GLY 85 Ca 0.22 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.07 -1.98 -3.52 1.61 7.64 0.53 -4.62 113.62 110.21 1x5m n SER 86 Ca -0.20 -0.22 -0.08 0.00 1.01 0.00 0.00 58.87 59.38 1x5m n SER 86 Cb 1.06 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.34 -0.34 0.00 6.43 0.01 -0.56 -4.91 113.70 112.00 1x5m s SER 87 Ca 0.68 0.05 0.08 0.00 1.31 0.00 0.00 55.95 58.08 1x5m s SER 87 Cb -0.25 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1x5m s SER 87 CO 0.66 -0.54 -0.26 -1.59 0.41 0.00 0.00 173.24 171.92 1x5m s LYS 88 N -2.77 1.99 0.05 12.44 0.00 -1.26 -0.74 119.74 129.44 1x5m s LYS 88 Ca 0.05 -0.99 -0.01 0.00 0.00 0.00 0.00 55.97 55.01 1x5m s LYS 88 Cb -0.01 -2.01 -0.04 0.00 0.00 0.00 0.00 37.83 35.77 1x5m s LYS 88 CO -0.07 0.54 -0.02 0.15 0.00 0.00 0.00 175.35 175.95 1x5m s LYS 89 N -0.84 0.62 -0.03 1.78 1.02 -0.89 -4.92 119.74 116.49 1x5m s LYS 89 Ca 0.11 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1x5m s LYS 89 Cb -0.10 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1x5m s LYS 89 CO 0.00 -0.12 -0.05 0.08 -0.92 0.00 0.00 175.35 174.35 1x5m s VAL 90 N -3.92 0.50 0.37 3.17 1.01 -1.26 0.20 120.40 120.47 1x5m s VAL 90 Ca 0.07 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1x5m s VAL 90 Cb 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.99 1x5m s VAL 90 CO -0.10 0.20 0.32 2.29 0.00 0.00 0.00 175.10 177.81 1x5m n LYS 91 N 3.76 0.91 -2.04 2.72 2.85 0.66 -4.85 118.16 122.16 1x5m n LYS 91 Ca -0.23 -2.29 -0.43 0.00 -1.05 0.00 0.00 58.31 54.31 1x5m n LYS 91 Cb 0.52 0.18 -0.03 0.00 -0.65 0.00 0.00 35.03 35.06 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 -1.78 3.53 -1.68 0.58 2.01 -1.26 -2.28 115.64 114.77 1x5m s THR 92 Ca 0.24 0.54 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 1x5m s THR 92 Cb -0.02 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1x5m s THR 92 CO 0.15 -0.45 0.28 0.47 -0.69 0.00 0.00 174.62 174.39 1x5m n ASP 93 N 10.02 -6.00 -3.63 3.53 9.92 -1.25 -4.95 116.55 124.19 1x5m n ASP 93 Ca 0.22 -0.14 -0.14 0.00 -0.53 0.00 0.00 54.79 54.20 1x5m n ASP 93 Cb 0.47 -4.93 -0.07 0.00 -0.64 0.00 0.00 41.12 35.95 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x5m s THR 94 N -3.10 -0.00 -0.17 -3.53 2.01 -0.91 -0.54 115.64 109.39 1x5m s THR 94 Ca 0.14 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1x5m s THR 94 Cb -0.06 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1x5m s THR 94 CO 0.18 0.00 0.04 0.54 -0.69 0.00 0.00 174.62 174.68 1x5m s VAL 95 N 0.39 4.57 0.05 3.82 0.11 -0.56 0.24 120.40 129.01 1x5m s VAL 95 Ca -0.00 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1x5m s VAL 95 Cb -0.05 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 1x5m s VAL 95 CO 0.01 0.48 0.17 -0.76 -3.33 0.00 0.00 175.10 171.67 1x5m s LEU 96 N 0.24 4.20 -0.36 2.54 1.43 0.54 -1.96 118.68 125.32 1x5m s LEU 96 Ca 0.02 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1x5m s LEU 96 Cb -0.13 -2.75 0.14 0.00 0.03 0.00 0.00 46.19 43.48 1x5m s LEU 96 CO 0.01 0.19 0.21 -0.63 0.23 0.00 0.00 176.35 176.36 1x5m s ILE 97 N -1.43 0.29 -0.19 -0.59 -1.09 -0.75 -2.09 121.20 115.35 1x5m s ILE 97 Ca 0.32 -1.77 -0.29 0.00 -2.23 0.00 0.00 60.65 56.68 1x5m s ILE 97 Cb -0.13 -1.22 -0.00 0.00 -1.58 0.00 0.00 42.46 39.53 1x5m s ILE 97 CO 0.24 -0.96 1.15 -0.76 -1.23 0.00 0.00 174.94 173.38 1x5m s LEU 98 N 1.04 4.15 -0.28 2.97 1.43 0.08 -1.92 118.68 126.14 1x5m s LEU 98 Ca 0.17 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 1x5m s LEU 98 Cb -0.23 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.52 1x5m s LEU 98 CO -0.01 -0.70 -0.06 0.00 0.23 0.00 0.00 176.35 175.81 1x5m n ARG 100 N 4.40 1.25 -3.63 0.00 5.12 -1.26 -1.16 116.66 121.38 1x5m n ARG 100 Ca -0.09 0.47 -0.37 0.00 -1.93 0.00 0.00 57.85 55.93 1x5m n ARG 100 Cb 0.42 -2.38 -0.06 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 -2.88 3.84 0.29 5.56 1.02 -1.26 -2.45 119.74 123.86 1x5m s LYS 101 Ca 0.75 0.16 0.15 0.00 0.02 0.00 0.00 55.97 57.05 1x5m s LYS 101 Cb -0.42 -3.26 0.21 0.00 -0.52 0.00 0.00 37.83 33.84 1x5m s LYS 101 CO 0.47 0.61 1.51 -0.22 -0.92 0.00 0.00 175.35 176.80 1x5m h LYS 102 N 5.26 0.00 -2.55 1.68 3.64 -1.89 -3.42 116.57 119.29 1x5m h LYS 102 Ca -0.50 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.72 1x5m h LYS 102 Cb 1.21 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.73 1x5m h LYS 102 CO 0.64 0.52 -0.45 0.54 -2.27 0.00 0.00 179.45 178.42 1x5m s VAL 103 N -3.11 -0.55 0.49 2.00 0.11 -1.26 -5.05 120.40 113.03 1x5m s VAL 103 Ca 0.03 0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1x5m s VAL 103 Cb 0.09 -0.61 0.13 0.00 -1.53 0.00 0.00 36.38 34.46 1x5m s VAL 103 CO 0.74 0.05 0.29 -0.62 -3.33 0.00 0.00 175.10 172.23 1x5m n GLU 104 N 5.37 -2.91 -4.09 1.54 -0.58 -1.26 -4.10 120.64 114.61 1x5m n GLU 104 Ca -0.07 -0.49 -0.47 0.00 -0.42 0.00 0.00 57.16 55.71 1x5m n GLU 104 Cb 0.50 -0.63 0.02 0.00 -0.57 0.00 0.00 31.44 30.76 1x5m n GLU 104 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1x5m n ASN 105 N -3.93 -4.02 -3.90 1.62 3.02 -1.26 -4.89 115.26 101.90 1x5m n ASN 105 Ca 0.05 -1.29 -0.15 0.00 -0.03 0.00 0.00 54.58 53.15 1x5m n ASN 105 Cb 0.20 -1.55 -0.15 0.00 -0.61 0.00 0.00 39.78 37.67 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 -3.55 0.26 -0.06 3.41 2.01 -1.26 -5.06 115.64 111.39 1x5m s THR 106 Ca 0.49 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.36 1x5m s THR 106 Cb -0.27 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1x5m s THR 106 CO 0.96 0.10 0.12 -0.60 -0.69 0.00 0.00 174.62 174.51 1x5m s ARG 107 N 0.21 3.31 -0.53 4.92 3.52 -1.26 -4.49 118.95 124.62 1x5m s ARG 107 Ca -0.02 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.26 1x5m s ARG 107 Cb -0.05 -3.04 0.14 0.00 -1.56 0.00 0.00 34.95 30.44 1x5m s ARG 107 CO -0.00 0.71 0.33 -1.58 -0.81 0.00 0.00 175.30 173.95 1x5m s TRP 108 N -1.14 3.46 0.67 5.12 0.52 -1.26 -4.91 118.94 121.40 1x5m s TRP 108 Ca 0.20 -2.67 0.42 0.00 0.02 0.00 0.00 56.10 54.08 1x5m s TRP 108 Cb -0.12 -3.17 2.30 0.00 -1.15 0.00 0.00 33.47 31.33 1x5m s TRP 108 CO 0.10 -0.88 2.30 -0.44 0.02 0.00 0.00 176.95 178.06 1x5m h ASP 109 N 7.34 0.00 -3.95 2.95 3.32 -1.97 -3.41 116.42 120.70 1x5m h ASP 109 Ca -0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1x5m h ASP 109 Cb 0.98 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.31 1x5m h ASP 109 CO 0.70 0.00 0.04 -0.31 -1.72 0.00 0.00 179.24 177.95 1x5m s TYR 110 N -4.15 -0.72 0.28 4.55 2.02 -1.26 -4.94 117.35 113.12 1x5m s TYR 110 Ca -0.05 1.74 -0.02 0.00 -0.37 0.00 0.00 57.07 58.38 1x5m s TYR 110 Cb 0.12 0.25 0.61 0.00 -0.40 0.00 0.00 41.96 42.55 1x5m s TYR 110 CO 0.39 -0.35 1.62 1.25 -1.57 0.00 0.00 175.55 176.90 1x5m h LEU 111 N 5.16 -0.25 -9.60 -1.29 6.46 -1.99 -3.38 115.31 110.43 1x5m h LEU 111 Ca -0.29 0.22 -0.60 0.00 -0.12 0.00 0.00 57.88 57.09 1x5m h LEU 111 Cb 1.17 0.35 -0.11 0.00 -0.73 0.00 0.00 40.66 41.33 1x5m h LEU 111 CO 0.10 -0.21 -0.62 0.42 -0.62 0.00 0.00 178.44 177.51 1x5m s THR 112 N -6.02 2.43 -0.51 1.05 -4.23 -1.26 -3.73 115.64 103.37 1x5m s THR 112 Ca -0.13 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.64 1x5m s THR 112 Cb 0.25 -2.81 0.31 0.00 1.34 0.00 0.00 72.50 71.59 1x5m s THR 112 CO 0.77 -0.16 1.75 -0.61 -0.54 0.00 0.00 174.62 175.83 1x5m h GLN 113 N 1.81 0.00 0.61 3.99 4.15 -1.17 -3.30 115.11 121.21 1x5m h GLN 113 Ca -0.43 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 58.96 1x5m h GLN 113 Cb 1.25 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.95 1x5m h GLN 113 CO 0.70 0.00 -0.29 0.28 -1.93 0.00 0.00 178.83 177.58 1x5m h VAL 114 N 0.00 0.00 -0.87 2.39 2.07 -1.87 -3.05 116.25 114.92 1x5m h VAL 114 Ca 0.00 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.50 1x5m h VAL 114 Cb 0.71 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.31 1x5m h VAL 114 CO 0.00 0.00 -0.15 1.21 0.02 0.00 0.00 177.57 178.65 1x5m n GLU 115 N -4.80 -0.08 0.00 1.57 2.13 -1.24 -1.00 120.64 117.22 1x5m n GLU 115 Ca -0.10 1.35 0.00 0.00 0.66 0.00 0.00 57.16 59.07 1x5m n GLU 115 Cb 0.32 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 29.99 1x5m n GLU 115 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1x5m n LYS 116 N -5.38 0.00 -0.17 5.31 3.00 -1.18 0.17 118.16 119.90 1x5m n LYS 116 Ca 0.16 0.53 -0.05 0.00 -0.00 0.00 0.00 58.31 58.94 1x5m n LYS 116 Cb 0.50 -1.23 -0.05 0.00 0.00 0.00 0.00 35.03 34.26 1x5m n LYS 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1x5m h GLU 117 N 0.00 -0.04 -0.34 1.64 4.39 -1.03 1.15 114.58 120.36 1x5m h GLU 117 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1x5m h GLU 117 Cb 0.00 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 1x5m h GLU 117 CO 0.00 -0.02 -0.26 0.00 -1.16 0.00 0.00 179.01 177.57 1x5m h LYS 119 N -0.07 -0.23 -5.81 0.00 1.79 0.30 -3.09 116.57 109.45 1x5m h LYS 119 Ca 0.06 0.02 -0.65 0.00 -2.18 0.00 0.00 60.65 57.90 1x5m h LYS 119 Cb 0.22 0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 30.81 1x5m h LYS 119 CO -0.36 -0.16 1.64 -1.21 -1.08 0.00 0.00 179.45 178.29 1x5m s GLU 120 N -4.92 3.76 0.08 3.15 0.41 0.39 -4.86 118.70 116.71 1x5m s GLU 120 Ca -0.10 -1.58 -0.20 0.00 -0.41 0.00 0.00 54.97 52.68 1x5m s GLU 120 Cb 0.06 -5.35 -0.06 0.00 -1.78 0.00 0.00 34.13 27.01 1x5m s GLU 120 CO 0.45 -2.14 1.33 0.87 -0.49 0.00 0.00 175.26 175.28 1x5m h LYS 121 N 8.78 -0.18 0.15 1.61 1.57 -1.45 -3.21 116.57 123.84 1x5m h LYS 121 Ca 0.28 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1x5m h LYS 121 Cb 0.96 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1x5m h LYS 121 CO 1.39 -0.12 -0.07 1.03 -0.57 0.00 0.00 179.45 181.10 1x5m h SER 122 N -0.19 -0.17 -3.95 0.86 0.87 -1.89 -3.48 113.55 105.60 1x5m h SER 122 Ca 0.06 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 1x5m h SER 122 Cb 0.34 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1x5m h SER 122 CO -0.41 0.09 -0.07 0.61 -0.53 0.00 0.00 176.83 176.51 1x5m n GLY 123 N 1.02 -1.94 3.81 5.77 0.00 -1.21 -4.93 105.19 107.70 1x5m n GLY 123 Ca -0.03 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.02 3.50 -0.30 1.61 0.04 -1.26 -5.06 135.00 131.51 1x5m s PRO 124 Ca 0.00 1.21 -0.04 0.00 0.04 0.00 0.00 61.00 62.21 1x5m s PRO 124 Cb 0.00 -2.06 0.19 0.00 0.04 0.00 0.00 34.50 32.67 1x5m s PRO 124 CO 0.00 -0.66 0.73 -1.12 0.04 0.00 0.00 177.00 175.99 1x5m s SER 125 N -2.63 -1.12 -0.06 6.66 0.01 -1.26 -5.16 113.70 110.14 1x5m s SER 125 Ca 0.64 0.66 -0.08 0.00 1.31 0.00 0.00 55.95 58.48 1x5m s SER 125 Cb -0.15 1.93 -0.05 0.00 0.21 0.00 0.00 66.02 67.96 1x5m s SER 125 CO 0.32 -0.21 0.22 -0.55 0.41 0.00 0.00 173.24 173.44 1x5m s SER 126 N 2.89 6.50 0.00 2.44 0.15 -1.26 -5.32 113.70 119.10 1x5m s SER 126 Ca 0.14 0.59 0.21 0.00 0.70 0.00 0.00 55.95 57.59 1x5m s SER 126 Cb -0.13 -2.11 0.17 0.00 -1.71 0.00 0.00 66.02 62.24 1x5m s SER 126 CO -0.18 0.36 1.17 0.61 1.20 0.00 0.00 173.24 176.39