#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 5.20 0.12 1.61 1.04 -1.26 -4.85 113.70 115.57 1x5m s SER 2 Ca 0.00 -0.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.71 1x5m s SER 2 Cb 0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1x5m s SER 2 CO 0.00 -2.64 0.73 -0.94 0.98 0.00 0.00 173.24 171.37 1x5m s SER 3 N 7.97 -0.45 0.00 7.02 1.04 -1.26 -5.18 113.70 122.84 1x5m s SER 3 Ca 0.69 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1x5m s SER 3 Cb -0.08 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1x5m s SER 3 CO 0.04 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1x5m n GLY 4 N -0.35 5.42 1.55 7.32 0.00 -1.26 -5.13 105.19 112.73 1x5m n GLY 4 Ca -0.12 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1x5m n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5m n SER 5 N 0.00 -8.34 -3.69 1.61 7.64 -1.26 -5.02 113.62 104.57 1x5m n SER 5 Ca 0.00 1.76 -0.11 0.00 1.01 0.00 0.00 58.87 61.53 1x5m n SER 5 Cb 0.00 -4.94 -0.11 0.00 -1.01 0.00 0.00 64.21 58.15 1x5m n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5m s SER 6 N -5.09 -0.31 0.60 6.43 1.04 -1.26 -5.12 113.70 109.99 1x5m s SER 6 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1x5m s SER 6 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1x5m s SER 6 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x5m n GLY 7 N 4.65 -3.25 3.09 7.32 0.00 -1.26 -4.77 105.19 110.97 1x5m n GLY 7 Ca -0.18 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.10 3.11 0.10 1.61 0.11 -1.26 -5.07 120.40 114.90 1x5m s VAL 8 Ca 0.00 -2.32 0.06 0.00 -2.93 0.00 0.00 61.98 56.80 1x5m s VAL 8 Cb 0.00 -3.14 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 1x5m s VAL 8 CO 0.00 -0.71 -0.16 0.54 -3.33 0.00 0.00 175.10 171.44 1x5m s VAL 9 N 0.84 1.39 -0.23 2.04 0.11 -1.26 -5.13 120.40 118.16 1x5m s VAL 9 Ca 0.11 -1.53 -0.01 0.00 -2.93 0.00 0.00 61.98 57.61 1x5m s VAL 9 Cb -0.22 -1.39 0.07 0.00 -1.53 0.00 0.00 36.38 33.31 1x5m s VAL 9 CO -0.05 -0.24 0.01 0.00 -3.33 0.00 0.00 175.10 171.50 1x5m s ALA 10 N -1.54 1.43 0.51 1.54 0.00 -1.26 -5.13 121.76 117.30 1x5m s ALA 10 Ca 0.05 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.74 1x5m s ALA 10 Cb -0.08 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 1x5m s ALA 10 CO 0.03 -1.25 1.04 -1.25 0.00 0.00 0.00 175.76 174.33 1x5m s PRO 11 N 1.65 3.72 0.04 0.00 0.04 -1.26 -4.97 135.00 134.23 1x5m s PRO 11 Ca -0.01 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 1x5m s PRO 11 Cb -0.18 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1x5m s PRO 11 CO -0.10 -0.50 1.65 0.96 0.04 0.00 0.00 177.00 179.06 1x5m s ILE 12 N -2.10 3.18 -0.86 0.56 -4.36 -1.26 -4.93 121.20 111.44 1x5m s ILE 12 Ca 0.66 0.55 -0.19 0.00 -0.26 0.00 0.00 60.65 61.41 1x5m s ILE 12 Cb -0.16 -3.35 0.12 0.00 1.25 0.00 0.00 42.46 40.32 1x5m s ILE 12 CO 0.24 -0.01 1.05 0.42 0.24 0.00 0.00 174.94 176.88 1x5m s THR 13 N 2.95 4.72 -0.64 8.37 -4.23 -1.26 -4.38 115.64 121.17 1x5m s THR 13 Ca 0.74 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1x5m s THR 13 Cb -0.38 -4.73 0.00 0.00 1.34 0.00 0.00 72.50 68.73 1x5m s THR 13 CO 0.32 -1.45 0.00 0.35 -0.54 0.00 0.00 174.62 173.30 1x5m n THR 14 N 5.49 -0.17 -3.65 3.99 -2.24 -1.26 -4.83 114.28 111.61 1x5m n THR 14 Ca 0.17 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.67 1x5m n THR 14 Cb 0.48 -0.82 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.81 1.97 0.00 3.38 0.00 -1.26 -5.10 107.32 104.49 1x5m s GLY 15 Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 44.72 41.69 1x5m s GLY 15 CO 0.00 1.61 0.00 1.58 0.00 0.00 0.00 173.10 176.29 1x5m n TYR 16 N 2.61 -1.79 -4.56 1.90 4.11 -1.26 -4.84 117.16 113.33 1x5m n TYR 16 Ca 0.22 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.82 1x5m n TYR 16 Cb 0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.62 1x5m n TYR 16 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1x5m s THR 17 N 0.33 2.59 0.51 -3.48 2.01 -1.26 -4.40 115.64 111.94 1x5m s THR 17 Ca 0.00 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.41 1x5m s THR 17 Cb 0.00 -2.11 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 1x5m s THR 17 CO 0.00 0.24 1.02 -0.69 -0.69 0.00 0.00 174.62 174.49 1x5m s VAL 18 N -0.98 4.09 -0.28 3.82 1.01 0.39 -4.77 120.40 123.68 1x5m s VAL 18 Ca 0.15 1.13 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1x5m s VAL 18 Cb -0.10 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x5m s VAL 18 CO 0.06 -0.45 0.12 -0.75 0.00 0.00 0.00 175.10 174.09 1x5m s LYS 19 N -3.68 3.60 -0.93 2.72 2.20 -1.26 0.18 119.74 122.56 1x5m s LYS 19 Ca 0.63 -0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 55.47 1x5m s LYS 19 Cb -0.13 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1x5m s LYS 19 CO 0.27 -0.27 1.57 0.42 -0.36 0.00 0.00 175.35 176.97 1x5m s ILE 20 N 1.64 3.75 -0.13 5.43 1.01 -0.44 -4.78 121.20 127.69 1x5m s ILE 20 Ca 0.06 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 1x5m s ILE 20 Cb -0.16 -4.73 -0.20 0.00 0.01 0.00 0.00 42.46 37.38 1x5m s ILE 20 CO 0.06 -1.64 0.60 0.28 0.00 0.00 0.00 174.94 174.24 1x5m h SER 21 N 10.47 -0.00 -3.46 3.58 0.02 -1.95 -3.44 113.55 118.77 1x5m h SER 21 Ca 0.08 -0.75 -0.61 0.00 -0.84 0.00 0.00 61.79 59.67 1x5m h SER 21 Cb 1.02 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.45 1x5m h SER 21 CO 1.35 0.87 0.20 0.21 -1.14 0.00 0.00 176.83 178.32 1x5m s ASN 22 N -6.05 6.60 -0.14 3.07 2.47 -1.26 -5.03 114.94 114.60 1x5m s ASN 22 Ca -0.14 0.72 -0.11 0.00 0.42 0.00 0.00 52.86 53.74 1x5m s ASN 22 Cb -0.02 -2.35 0.04 0.00 -1.45 0.00 0.00 41.25 37.47 1x5m s ASN 22 CO 0.53 -0.40 0.36 -0.72 -3.72 0.00 0.00 177.10 173.15 1x5m s TYR 23 N 2.56 -0.44 -0.09 0.43 -0.85 -1.26 -4.76 117.35 112.94 1x5m s TYR 23 Ca 0.27 1.03 -0.20 0.00 -0.52 0.00 0.00 57.07 57.65 1x5m s TYR 23 Cb -0.15 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 1x5m s TYR 23 CO 0.09 -0.24 0.57 0.20 -1.52 0.00 0.00 175.55 174.65 1x5m s GLY 24 N 0.62 2.50 0.09 5.49 0.00 -0.54 -4.98 107.32 110.50 1x5m s GLY 24 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.68 1x5m s GLY 24 CO -0.04 0.92 -0.10 0.66 0.00 0.00 0.00 173.10 174.54 1x5m s TRP 25 N 0.61 1.06 -0.29 1.90 1.48 -1.26 0.21 118.94 122.65 1x5m s TRP 25 Ca 0.31 -0.64 -0.17 0.00 -1.06 0.00 0.00 56.10 54.54 1x5m s TRP 25 Cb -0.16 -0.58 0.14 0.00 -1.16 0.00 0.00 33.47 31.70 1x5m s TRP 25 CO 0.14 0.00 0.96 -0.51 -4.06 0.00 0.00 176.95 173.49 1x5m s ASP 26 N -2.37 -0.53 0.16 -2.66 1.11 -0.63 -4.90 116.67 106.85 1x5m s ASP 26 Ca 0.04 0.87 0.01 0.00 0.18 0.00 0.00 52.55 53.65 1x5m s ASP 26 Cb -0.04 1.17 -0.04 0.00 1.07 0.00 0.00 42.92 45.08 1x5m s ASP 26 CO 0.00 -0.14 0.03 0.00 1.18 0.00 0.00 175.17 176.25 1x5m s GLN 27 N 1.21 1.07 0.21 8.23 1.03 -1.26 -2.86 119.66 127.28 1x5m s GLN 27 Ca -0.07 -1.52 -0.01 0.00 0.04 0.00 0.00 55.36 53.80 1x5m s GLN 27 Cb -0.04 -0.06 -0.04 0.00 0.03 0.00 0.00 33.01 32.90 1x5m s GLN 27 CO -0.14 -0.20 0.15 -1.12 -2.54 0.00 0.00 175.29 171.44 1x5m s SER 28 N -3.14 0.26 -1.07 12.60 0.01 -0.85 -4.92 113.70 116.58 1x5m s SER 28 Ca 0.25 -1.41 -0.25 0.00 1.31 0.00 0.00 55.95 55.86 1x5m s SER 28 Cb 0.07 0.40 -0.14 0.00 0.21 0.00 0.00 66.02 66.55 1x5m s SER 28 CO 0.04 -0.86 2.05 -1.81 0.41 0.00 0.00 173.24 173.07 1x5m s ASP 29 N -3.17 4.31 0.00 2.44 1.11 -1.26 -2.37 116.67 117.72 1x5m s ASP 29 Ca 0.39 -1.11 0.00 0.00 0.18 0.00 0.00 52.55 52.00 1x5m s ASP 29 Cb 0.06 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1x5m s ASP 29 CO 0.13 -3.78 0.00 0.29 1.18 0.00 0.00 175.17 172.99 1x5m n LYS 30 N 8.36 0.00 -4.01 8.23 4.76 -1.26 -4.43 118.16 129.81 1x5m n LYS 30 Ca 0.43 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.78 1x5m n LYS 30 Cb 0.46 0.00 -0.06 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 0.42 -0.04 2.13 0.08 -1.00 -4.12 117.98 115.45 1x5m s PHE 31 Ca 0.00 -0.77 0.07 0.00 0.12 0.00 0.00 56.93 56.35 1x5m s PHE 31 Cb 0.00 0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.57 1x5m s PHE 31 CO 0.00 -0.97 -0.25 0.08 -0.10 0.00 0.00 175.22 173.98 1x5m s VAL 32 N -4.03 2.04 -0.01 -0.44 1.01 0.27 -2.01 120.40 117.23 1x5m s VAL 32 Ca 0.23 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 1x5m s VAL 32 Cb -0.00 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1x5m s VAL 32 CO 0.09 0.57 0.20 -0.75 0.00 0.00 0.00 175.10 175.21 1x5m s LYS 33 N -0.41 0.51 0.12 2.72 2.20 -1.14 0.19 119.74 123.94 1x5m s LYS 33 Ca 0.04 -0.27 0.08 0.00 -0.36 0.00 0.00 55.97 55.46 1x5m s LYS 33 Cb -0.12 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1x5m s LYS 33 CO 0.01 -0.13 -0.20 0.42 -0.36 0.00 0.00 175.35 175.10 1x5m s ILE 34 N -1.21 1.71 -0.22 5.43 1.09 -0.89 -1.60 121.20 125.50 1x5m s ILE 34 Ca -0.13 -1.65 -0.02 0.00 -1.10 0.00 0.00 60.65 57.76 1x5m s ILE 34 Cb -0.06 -1.62 0.07 0.00 -1.06 0.00 0.00 42.46 39.79 1x5m s ILE 34 CO 0.02 -0.15 0.04 -0.31 -0.10 0.00 0.00 174.94 174.44 1x5m s TYR 35 N -1.45 1.30 -0.00 3.97 1.51 0.58 -2.06 117.35 121.20 1x5m s TYR 35 Ca 0.09 -1.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.02 1x5m s TYR 35 Cb -0.09 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.51 1x5m s TYR 35 CO 0.05 -0.69 0.07 0.42 -1.11 0.00 0.00 175.55 174.29 1x5m s ILE 36 N 1.76 4.61 -0.59 2.71 1.09 -0.92 -1.47 121.20 128.40 1x5m s ILE 36 Ca 0.01 -0.45 -0.20 0.00 -1.10 0.00 0.00 60.65 58.91 1x5m s ILE 36 Cb -0.17 -3.10 0.09 0.00 -1.06 0.00 0.00 42.46 38.21 1x5m s ILE 36 CO -0.12 0.35 0.75 -0.89 -0.10 0.00 0.00 174.94 174.93 1x5m s THR 37 N -1.18 4.71 -0.25 2.92 2.01 -1.26 -1.44 115.64 121.16 1x5m s THR 37 Ca 0.22 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1x5m s THR 37 Cb -0.12 -4.49 0.08 0.00 0.01 0.00 0.00 72.50 67.97 1x5m s THR 37 CO 0.13 -1.13 0.06 -0.22 -0.69 0.00 0.00 174.62 172.77 1x5m s LEU 38 N 3.00 1.66 -0.44 4.42 1.98 0.46 -4.93 118.68 124.82 1x5m s LEU 38 Ca 0.15 -1.18 -0.29 0.00 -2.89 0.00 0.00 54.13 49.92 1x5m s LEU 38 Cb -0.21 -0.73 0.03 0.00 0.66 0.00 0.00 46.19 45.93 1x5m s LEU 38 CO 0.09 -0.35 1.17 -0.89 -1.89 0.00 0.00 176.35 174.48 1x5m s THR 39 N 1.74 4.21 0.00 3.68 2.01 -1.24 -2.44 115.64 123.60 1x5m s THR 39 Ca 0.03 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.29 1x5m s THR 39 Cb -0.17 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 67.81 1x5m s THR 39 CO -0.16 -0.90 0.00 0.61 -0.69 0.00 0.00 174.62 173.48 1x5m n GLY 40 N 4.73 1.18 0.34 4.40 0.00 -1.26 -4.40 105.19 110.18 1x5m n GLY 40 Ca 0.13 0.00 0.19 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 0.06 -0.01 1.61 3.04 -1.89 1.63 116.25 120.70 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 -0.08 0.00 -1.01 0.00 0.00 177.57 176.48 1x5m n HIS 42 N -3.09 0.00 -0.02 3.17 1.44 -1.26 -3.65 115.22 111.81 1x5m n HIS 42 Ca -0.02 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 1x5m n HIS 42 Cb 0.24 -0.04 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 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 -0.05 0.75 -2.80 -1.40 6.02 0.55 -4.99 117.38 115.46 1x5m n GLN 43 Ca 0.17 -0.10 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 1x5m n GLN 43 Cb 0.36 -1.33 -0.05 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.82 4.57 0.92 5.09 -7.23 -0.44 -5.06 120.40 115.44 1x5m s VAL 44 Ca -0.05 1.12 -0.13 0.00 -1.81 0.00 0.00 61.98 61.11 1x5m s VAL 44 Cb 0.08 -3.66 0.15 0.00 0.56 0.00 0.00 36.38 33.50 1x5m s VAL 44 CO 0.57 -0.42 1.14 -2.16 -0.31 0.00 0.00 175.10 173.92 1x5m s PRO 45 N -3.49 1.04 0.00 4.82 0.04 -1.26 -4.92 135.00 131.23 1x5m s PRO 45 Ca 0.57 0.25 0.21 0.00 0.04 0.00 0.00 61.00 62.08 1x5m s PRO 45 Cb -0.10 -1.83 1.15 0.00 0.04 0.00 0.00 34.50 33.76 1x5m s PRO 45 CO 0.22 -2.26 1.66 -2.37 0.04 0.00 0.00 177.00 174.29 1x5m n THR 46 N -3.80 0.21 0.12 1.26 5.66 -1.26 -2.19 114.28 114.28 1x5m n THR 46 Ca 0.07 0.05 0.04 0.00 -3.05 0.00 0.00 64.05 61.17 1x5m n THR 46 Cb 0.59 -0.71 0.02 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.01 1.09 4.11 -2.00 -3.19 114.58 114.58 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 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1x5m h GLU 47 CO 0.00 0.31 -0.47 0.09 0.07 0.00 0.00 179.01 179.01 1x5m n ASN 48 N -3.05 1.15 -4.17 3.06 3.02 -0.93 -4.71 115.26 109.62 1x5m n ASN 48 Ca -0.01 -0.92 -0.36 0.00 -0.03 0.00 0.00 54.58 53.26 1x5m n ASN 48 Cb 0.71 0.37 -0.12 0.00 -0.61 0.00 0.00 39.78 40.12 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 -2.67 3.35 -0.30 2.41 1.01 -1.20 -0.27 120.40 122.72 1x5m s VAL 49 Ca 0.18 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.53 1x5m s VAL 49 Cb 0.18 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.54 1x5m s VAL 49 CO 0.62 -0.41 -0.03 -1.58 0.00 0.00 0.00 175.10 173.70 1x5m s GLN 50 N 1.24 2.00 -0.08 2.72 2.00 -0.51 -4.86 119.66 122.17 1x5m s GLN 50 Ca 0.02 -1.54 0.04 0.00 -2.00 0.00 0.00 55.36 51.88 1x5m s GLN 50 Cb -0.21 -3.06 0.00 0.00 0.80 0.00 0.00 33.01 30.54 1x5m s GLN 50 CO -0.02 -0.72 -0.20 0.54 -0.50 0.00 0.00 175.29 174.39 1x5m s VAL 51 N 1.05 1.71 -0.06 1.34 0.11 -1.26 0.27 120.40 123.57 1x5m s VAL 51 Ca -0.01 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.26 1x5m s VAL 51 Cb -0.20 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1x5m s VAL 51 CO -0.05 0.48 -0.24 -2.28 -3.33 0.00 0.00 175.10 169.68 1x5m s HIS 52 N 0.33 2.38 -0.02 1.54 5.04 0.45 -4.95 115.29 120.07 1x5m s HIS 52 Ca -0.14 -0.73 -0.02 0.00 -1.54 0.00 0.00 55.06 52.64 1x5m s HIS 52 Cb -0.16 -1.56 -0.04 0.00 0.04 0.00 0.00 32.58 30.86 1x5m s HIS 52 CO 0.06 -0.23 0.11 -0.06 -2.34 0.00 0.00 174.74 172.28 1x5m s PHE 53 N -0.11 3.37 0.00 3.88 0.08 -1.26 -0.41 117.98 123.54 1x5m s PHE 53 Ca -0.05 0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1x5m s PHE 53 Cb -0.14 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1x5m s PHE 53 CO 0.04 0.59 0.00 0.25 -0.10 0.00 0.00 175.22 176.00 1x5m n THR 54 N 1.23 0.00 0.10 0.64 -2.24 -0.51 -4.81 114.28 108.69 1x5m n THR 54 Ca -0.13 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.42 1x5m n THR 54 Cb 0.53 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.61 -1.22 -0.78 4.11 -1.97 -3.38 114.58 111.95 1x5m h GLU 55 Ca 0.00 -0.85 -0.39 0.00 0.07 0.00 0.00 59.36 58.20 1x5m h GLU 55 Cb 0.00 0.29 -0.37 0.00 0.50 0.00 0.00 28.75 29.16 1x5m h GLU 55 CO 0.00 1.39 -1.12 0.54 0.07 0.00 0.00 179.01 179.89 1x5m n ARG 56 N -3.78 1.08 0.00 1.06 5.12 -1.26 0.14 116.66 119.03 1x5m n ARG 56 Ca -0.14 -3.15 0.00 0.00 -1.93 0.00 0.00 57.85 52.63 1x5m n ARG 56 Cb 1.01 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.00 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 0.03 0.00 -3.59 0.55 3.41 -1.26 -2.59 113.62 110.17 1x5m n SER 57 Ca 0.13 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.74 1x5m n SER 57 Cb 0.77 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.49 0.10 7.33 -0.12 -0.58 -1.42 117.98 120.81 1x5m s PHE 58 Ca 0.00 0.94 0.04 0.00 -0.05 0.00 0.00 56.93 57.86 1x5m s PHE 58 Cb 0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1x5m s PHE 58 CO 0.00 -0.24 0.06 0.16 -0.05 0.00 0.00 175.22 175.15 1x5m s ASP 59 N 1.50 5.34 -0.16 1.98 -4.77 0.46 -0.63 116.67 120.39 1x5m s ASP 59 Ca -0.07 -0.10 -0.04 0.00 -3.30 0.00 0.00 52.55 49.03 1x5m s ASP 59 Cb -0.04 -1.37 0.07 0.00 -1.09 0.00 0.00 42.92 40.49 1x5m s ASP 59 CO -0.14 0.15 0.16 -0.22 0.70 0.00 0.00 175.17 175.82 1x5m s LEU 60 N -2.54 0.03 0.03 2.11 0.20 0.51 -0.41 118.68 118.61 1x5m s LEU 60 Ca 0.28 -0.17 -0.05 0.00 0.69 0.00 0.00 54.13 54.89 1x5m s LEU 60 Cb -0.11 0.16 -0.05 0.00 -0.43 0.00 0.00 46.19 45.76 1x5m s LEU 60 CO 0.21 -0.31 0.26 -0.22 -0.29 0.00 0.00 176.35 176.00 1x5m s LEU 61 N 2.26 4.36 -0.27 -0.68 1.98 0.76 -0.35 118.68 126.73 1x5m s LEU 61 Ca 0.04 0.49 -0.01 0.00 -2.89 0.00 0.00 54.13 51.76 1x5m s LEU 61 Cb -0.15 -2.76 0.13 0.00 0.66 0.00 0.00 46.19 44.07 1x5m s LEU 61 CO -0.09 0.22 0.30 -0.69 -1.89 0.00 0.00 176.35 174.20 1x5m s VAL 62 N -1.37 -0.42 0.36 1.68 1.01 -0.02 -1.42 120.40 120.22 1x5m s VAL 62 Ca 0.30 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1x5m s VAL 62 Cb -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1x5m s VAL 62 CO 0.19 -0.39 0.34 -0.54 0.00 0.00 0.00 175.10 174.70 1x5m s LYS 63 N 2.38 2.71 0.00 2.72 1.02 0.63 0.87 119.74 130.07 1x5m s LYS 63 Ca 0.09 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1x5m s LYS 63 Cb -0.14 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 1x5m s LYS 63 CO -0.28 0.00 0.00 -1.71 -0.92 0.00 0.00 175.35 172.44 1x5m n ASN 64 N -1.46 -6.16 0.00 2.83 2.85 -1.24 -4.80 115.26 107.28 1x5m n ASN 64 Ca 0.00 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1x5m n ASN 64 Cb 0.60 -1.47 0.00 0.00 1.24 0.00 0.00 39.78 40.15 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 1.27 0.00 -4.12 1.20 7.94 0.56 -4.78 117.00 119.07 1x5m n LEU 65 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1x5m n LEU 65 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1x5m n LEU 65 CO 0.00 0.00 2.17 -3.20 -1.11 0.00 0.00 177.39 175.25 1x5m n ASN 66 N 0.00 4.60 -1.27 1.96 2.85 -1.26 -4.21 115.26 117.93 1x5m n ASN 66 Ca 0.00 -2.93 -0.17 0.00 -0.11 0.00 0.00 54.58 51.38 1x5m n ASN 66 Cb 0.00 -1.65 -0.07 0.00 1.24 0.00 0.00 39.78 39.30 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 4.30 1.65 0.06 8.20 0.00 -1.26 -4.88 105.19 113.26 1x5m n GLY 67 Ca 0.47 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.46 0.01 -4.28 1.61 2.85 -1.26 -5.13 118.16 109.51 1x5m n LYS 68 Ca -0.17 -0.03 -0.17 0.00 -1.05 0.00 0.00 58.31 56.89 1x5m n LYS 68 Cb 0.55 0.03 -0.11 0.00 -0.65 0.00 0.00 35.03 34.86 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 -1.03 2.15 0.04 -5.58 0.01 -1.26 0.21 113.70 108.23 1x5m s SER 69 Ca 0.00 -0.92 0.02 0.00 1.31 0.00 0.00 55.95 56.37 1x5m s SER 69 Cb -0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1x5m s SER 69 CO 0.00 -0.19 -0.07 -0.31 0.41 0.00 0.00 173.24 173.08 1x5m s TYR 70 N -2.63 0.62 0.01 2.43 1.51 0.25 0.15 117.35 119.69 1x5m s TYR 70 Ca 0.15 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1x5m s TYR 70 Cb -0.02 -0.38 -0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1x5m s TYR 70 CO 0.04 -0.10 -0.05 -1.54 -1.11 0.00 0.00 175.55 172.79 1x5m s SER 71 N -1.56 0.62 -0.14 2.29 1.04 0.47 -0.84 113.70 115.58 1x5m s SER 71 Ca -0.11 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.08 1x5m s SER 71 Cb -0.10 -0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.05 1x5m s SER 71 CO 0.00 -0.00 0.28 -0.32 0.98 0.00 0.00 173.24 174.19 1x5m s MET 72 N -0.44 0.17 0.02 4.02 0.00 0.52 -1.32 119.30 122.26 1x5m s MET 72 Ca -0.01 0.79 0.01 0.00 0.00 0.00 0.00 55.69 56.48 1x5m s MET 72 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 34.83 34.80 1x5m s MET 72 CO -0.00 -0.28 -0.05 0.42 0.00 0.00 0.00 175.02 175.11 1x5m s ILE 73 N 2.43 0.32 -0.12 10.11 1.01 -1.26 0.19 121.20 133.89 1x5m s ILE 73 Ca 0.01 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1x5m s ILE 73 Cb -0.12 -0.35 0.02 0.00 0.01 0.00 0.00 42.46 42.02 1x5m s ILE 73 CO -0.09 -0.17 -0.12 0.68 0.00 0.00 0.00 174.94 175.24 1x5m s VAL 74 N -0.72 1.33 -0.10 2.92 -7.23 0.19 -4.99 120.40 111.81 1x5m s VAL 74 Ca -0.05 -0.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1x5m s VAL 74 Cb -0.06 -1.26 -0.00 0.00 0.56 0.00 0.00 36.38 35.62 1x5m s VAL 74 CO -0.00 0.41 -0.24 0.20 -0.31 0.00 0.00 175.10 175.17 1x5m s ASN 75 N 1.32 3.04 0.00 4.85 0.01 -1.26 -1.53 114.94 121.37 1x5m s ASN 75 Ca -0.01 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.60 1x5m s ASN 75 Cb -0.14 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.17 1x5m s ASN 75 CO -0.06 0.16 0.00 0.59 -1.51 0.00 0.00 177.10 176.28 1x5m n ASN 76 N 3.50 -1.49 -4.74 -1.22 3.02 -1.14 -4.81 115.26 108.37 1x5m n ASN 76 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.99 1x5m n ASN 76 Cb 0.53 -0.74 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 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 -0.48 4.27 0.30 3.41 1.43 -1.07 -1.72 118.68 124.83 1x5m s LEU 77 Ca 0.00 0.60 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1x5m s LEU 77 Cb 0.00 -2.44 0.73 0.00 0.03 0.00 0.00 46.19 44.52 1x5m s LEU 77 CO 0.00 0.11 1.53 -0.11 0.23 0.00 0.00 176.35 178.11 1x5m n LEU 78 N 3.38 -0.12 -4.33 1.79 7.94 -1.24 -4.45 117.00 119.96 1x5m n LEU 78 Ca -0.11 1.66 -0.18 0.00 -1.11 0.00 0.00 56.01 56.27 1x5m n LEU 78 Cb 0.52 -0.60 -0.10 0.00 0.53 0.00 0.00 43.42 43.77 1x5m n LEU 78 CO 0.40 -1.68 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.04 1x5m s LYS 79 N -5.99 1.28 0.82 1.96 -0.14 -1.26 -4.91 119.74 111.50 1x5m s LYS 79 Ca -0.13 -1.58 -0.12 0.00 -1.36 0.00 0.00 55.97 52.79 1x5m s LYS 79 Cb 0.29 -0.98 0.08 0.00 -1.68 0.00 0.00 37.83 35.54 1x5m s LYS 79 CO 0.76 0.13 1.10 -1.25 -0.76 0.00 0.00 175.35 175.34 1x5m s PRO 80 N -3.69 1.92 0.00 -1.68 0.04 -1.26 -4.79 135.00 125.56 1x5m s PRO 80 Ca 0.22 0.58 -0.05 0.00 0.04 0.00 0.00 61.00 61.79 1x5m s PRO 80 Cb 0.01 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1x5m s PRO 80 CO 0.06 -1.72 0.10 0.96 0.04 0.00 0.00 177.00 176.44 1x5m s ILE 81 N -3.18 0.08 -0.09 0.56 -5.25 0.37 -3.04 121.20 110.66 1x5m s ILE 81 Ca 0.61 -0.69 -0.28 0.00 -0.99 0.00 0.00 60.65 59.30 1x5m s ILE 81 Cb -0.14 -0.37 -0.02 0.00 2.95 0.00 0.00 42.46 44.87 1x5m s ILE 81 CO 0.54 -0.38 0.94 -0.94 -1.79 0.00 0.00 174.94 173.31 1x5m s SER 82 N -1.29 7.20 -0.01 4.36 1.04 -0.64 -4.13 113.70 120.24 1x5m s SER 82 Ca -0.14 1.47 -0.01 0.00 0.48 0.00 0.00 55.95 57.75 1x5m s SER 82 Cb -0.08 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 1x5m s SER 82 CO 0.01 -0.36 0.31 0.58 0.98 0.00 0.00 173.24 174.75 1x5m h VAL 83 N 5.01 0.00 -1.18 5.02 2.07 -1.88 0.63 116.25 125.92 1x5m h VAL 83 Ca -0.34 -0.08 0.40 0.00 0.82 0.00 0.00 66.70 67.50 1x5m h VAL 83 Cb 1.17 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.80 1x5m h VAL 83 CO 0.82 0.00 0.73 -0.33 0.02 0.00 0.00 177.57 178.81 1x5m h GLU 84 N -0.12 0.14 0.05 1.57 5.08 -1.93 1.49 114.58 120.86 1x5m h GLU 84 Ca -0.00 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1x5m h GLU 84 Cb 0.03 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1x5m h GLU 84 CO 0.01 0.09 -1.24 0.78 -1.00 0.00 0.00 179.01 177.65 1x5m h GLY 85 N 0.15 0.12 -1.90 -3.84 0.00 -1.98 -3.46 103.07 92.16 1x5m h GLY 85 Ca 0.79 -0.31 -0.54 0.00 0.00 0.00 0.00 47.33 47.27 1x5m h GLY 85 CO -0.50 0.27 -0.13 1.44 0.00 0.00 0.00 176.54 177.63 1x5m n SER 86 N -3.37 -0.53 -3.64 0.19 7.64 0.51 -4.68 113.62 109.75 1x5m n SER 86 Ca -0.07 0.49 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 1x5m n SER 86 Cb 0.99 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.00 -0.28 -0.02 6.43 0.01 -0.29 -4.93 113.70 112.63 1x5m s SER 87 Ca 0.66 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.65 1x5m s SER 87 Cb -0.27 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.46 1x5m s SER 87 CO 0.58 -0.93 -0.21 -1.59 0.41 0.00 0.00 173.24 171.50 1x5m s LYS 88 N -3.82 1.73 0.11 12.44 0.00 -1.26 -0.51 119.74 128.44 1x5m s LYS 88 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 55.97 55.27 1x5m s LYS 88 Cb 0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 37.83 36.12 1x5m s LYS 88 CO -0.09 0.46 -0.03 0.15 0.00 0.00 0.00 175.35 175.84 1x5m s LYS 89 N -0.49 0.87 -0.03 1.78 1.02 -0.73 -4.91 119.74 117.25 1x5m s LYS 89 Ca 0.08 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.71 1x5m s LYS 89 Cb -0.08 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1x5m s LYS 89 CO -0.01 -0.09 -0.05 0.08 -0.92 0.00 0.00 175.35 174.36 1x5m s VAL 90 N -3.74 0.55 0.53 3.17 1.01 -1.26 0.20 120.40 120.86 1x5m s VAL 90 Ca 0.15 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.98 1x5m s VAL 90 Cb 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1x5m s VAL 90 CO -0.03 0.21 0.20 -1.59 0.00 0.00 0.00 175.10 173.89 1x5m s LYS 91 N 0.57 2.23 0.04 2.72 -2.85 0.55 -4.83 119.74 118.17 1x5m s LYS 91 Ca -0.08 -2.20 -0.31 0.00 -1.00 0.00 0.00 55.97 52.38 1x5m s LYS 91 Cb -0.11 -1.82 -0.10 0.00 -2.06 0.00 0.00 37.83 33.74 1x5m s LYS 91 CO 0.00 -0.49 1.93 2.41 0.10 0.00 0.00 175.35 179.31 1x5m n THR 92 N -1.51 0.65 -2.80 3.79 -1.04 -1.26 -1.32 114.28 110.79 1x5m n THR 92 Ca -0.10 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.05 61.68 1x5m n THR 92 Cb 0.66 -2.21 -0.01 0.00 -1.82 0.00 0.00 70.33 66.94 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 6.94 -2.53 -3.63 8.00 5.68 -1.25 -4.86 116.55 124.90 1x5m n ASP 93 Ca 0.20 0.10 -0.15 0.00 -0.50 0.00 0.00 54.79 54.44 1x5m n ASP 93 Cb 0.38 -2.20 -0.07 0.00 -1.14 0.00 0.00 41.12 38.09 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x5m s THR 94 N -2.47 0.01 -0.14 2.12 2.01 -0.44 -0.40 115.64 116.33 1x5m s THR 94 Ca 0.14 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 1x5m s THR 94 Cb -0.08 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 1x5m s THR 94 CO 0.17 -0.06 -0.13 0.54 -0.69 0.00 0.00 174.62 174.45 1x5m s VAL 95 N -0.65 2.94 0.09 3.82 0.11 -0.52 0.20 120.40 126.39 1x5m s VAL 95 Ca -0.07 -0.69 -0.05 0.00 -2.93 0.00 0.00 61.98 58.23 1x5m s VAL 95 Cb -0.03 -2.24 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1x5m s VAL 95 CO 0.05 0.52 0.33 -0.76 -3.33 0.00 0.00 175.10 171.91 1x5m s LEU 96 N 0.53 4.31 -0.38 2.54 1.43 0.52 -2.15 118.68 125.48 1x5m s LEU 96 Ca -0.09 0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1x5m s LEU 96 Cb -0.16 -3.07 0.14 0.00 0.03 0.00 0.00 46.19 43.13 1x5m s LEU 96 CO 0.04 0.13 0.22 -0.63 0.23 0.00 0.00 176.35 176.34 1x5m s ILE 97 N -1.53 0.57 -0.22 -0.59 -1.09 -0.87 -1.77 121.20 115.70 1x5m s ILE 97 Ca 0.36 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.51 1x5m s ILE 97 Cb -0.13 -1.41 -0.00 0.00 -1.58 0.00 0.00 42.46 39.34 1x5m s ILE 97 CO 0.23 -0.95 1.19 -0.76 -1.23 0.00 0.00 174.94 173.41 1x5m s LEU 98 N 0.84 4.08 -0.27 2.97 1.43 0.34 -2.09 118.68 125.99 1x5m s LEU 98 Ca 0.18 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 1x5m s LEU 98 Cb -0.23 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.51 1x5m s LEU 98 CO 0.00 -0.80 -0.09 0.00 0.23 0.00 0.00 176.35 175.69 1x5m n ARG 100 N 4.41 1.36 -3.61 0.00 5.12 -1.25 -0.56 116.66 122.14 1x5m n ARG 100 Ca -0.12 0.51 -0.35 0.00 -1.93 0.00 0.00 57.85 55.96 1x5m n ARG 100 Cb 0.42 -2.39 -0.06 0.00 -1.16 0.00 0.00 32.46 29.27 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 -2.80 3.75 0.04 5.56 1.02 -1.26 -1.62 119.74 124.43 1x5m s LYS 101 Ca 0.73 0.17 0.15 0.00 0.02 0.00 0.00 55.97 57.04 1x5m s LYS 101 Cb -0.43 -3.07 -0.16 0.00 -0.52 0.00 0.00 37.83 33.65 1x5m s LYS 101 CO 0.48 0.62 0.81 -0.22 -0.92 0.00 0.00 175.35 176.12 1x5m h LYS 102 N 4.04 0.00 -2.85 1.68 3.64 -1.87 -3.40 116.57 117.81 1x5m h LYS 102 Ca -0.50 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.62 1x5m h LYS 102 Cb 1.20 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.68 1x5m h LYS 102 CO 0.65 0.37 -0.59 0.08 -2.27 0.00 0.00 179.45 177.69 1x5m s VAL 103 N -2.82 -0.35 0.55 2.00 1.01 -1.26 -5.06 120.40 114.47 1x5m s VAL 103 Ca -0.03 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 1x5m s VAL 103 Cb 0.08 -0.45 0.14 0.00 0.00 0.00 0.00 36.38 36.15 1x5m s VAL 103 CO 0.81 0.05 0.41 -0.62 0.00 0.00 0.00 175.10 175.76 1x5m n GLU 104 N 5.34 -2.43 -4.41 2.72 1.02 -1.26 -3.87 120.64 117.74 1x5m n GLU 104 Ca -0.05 -0.67 -0.37 0.00 -0.02 0.00 0.00 57.16 56.05 1x5m n GLU 104 Cb 0.50 -0.72 -0.09 0.00 -0.02 0.00 0.00 31.44 31.11 1x5m n GLU 104 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x5m n ASN 105 N -3.93 -0.54 -3.82 1.62 4.13 -1.26 -4.89 115.26 106.56 1x5m n ASN 105 Ca 0.06 -1.25 -0.30 0.00 1.68 0.00 0.00 54.58 54.77 1x5m n ASN 105 Cb 0.24 -1.68 -0.15 0.00 -1.54 0.00 0.00 39.78 36.65 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1x5m s THR 106 N -3.80 1.19 0.33 3.41 2.01 -1.25 -5.06 115.64 112.46 1x5m s THR 106 Ca 0.42 -1.41 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1x5m s THR 106 Cb -0.24 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.40 1x5m s THR 106 CO 1.01 -0.49 1.13 -0.60 -0.69 0.00 0.00 174.62 174.97 1x5m s ARG 107 N 1.49 4.43 -0.46 4.92 3.52 -1.26 -4.68 118.95 126.90 1x5m s ARG 107 Ca 0.06 1.81 -0.09 0.00 -0.13 0.00 0.00 55.73 57.38 1x5m s ARG 107 Cb -0.18 -2.98 0.11 0.00 -1.56 0.00 0.00 34.95 30.34 1x5m s ARG 107 CO -0.17 0.02 0.33 -1.58 -0.81 0.00 0.00 175.30 173.09 1x5m s TRP 108 N -1.28 3.42 -0.13 5.12 0.52 -1.26 -4.90 118.94 120.42 1x5m s TRP 108 Ca 0.49 -1.84 0.29 0.00 0.02 0.00 0.00 56.10 55.05 1x5m s TRP 108 Cb -0.31 -3.41 1.30 0.00 -1.15 0.00 0.00 33.47 29.90 1x5m s TRP 108 CO 0.40 -0.97 1.86 -0.44 0.02 0.00 0.00 176.95 177.81 1x5m h ASP 109 N 8.43 0.00 -5.00 2.95 3.32 -1.98 -3.44 116.42 120.70 1x5m h ASP 109 Ca -0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1x5m h ASP 109 Cb 1.07 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 1x5m h ASP 109 CO 0.84 0.00 0.21 -0.31 -1.72 0.00 0.00 179.24 178.26 1x5m s TYR 110 N -3.56 -0.57 0.30 4.55 2.02 -1.26 -5.00 117.35 113.83 1x5m s TYR 110 Ca 0.01 0.53 0.15 0.00 -0.37 0.00 0.00 57.07 57.40 1x5m s TYR 110 Cb 0.09 0.52 0.70 0.00 -0.40 0.00 0.00 41.96 42.87 1x5m s TYR 110 CO 0.40 -0.78 1.78 1.25 -1.57 0.00 0.00 175.55 176.62 1x5m h LEU 111 N 2.26 0.00 -7.77 -1.29 6.46 -1.94 -3.39 115.31 109.64 1x5m h LEU 111 Ca -0.32 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.31 1x5m h LEU 111 Cb 1.27 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 41.01 1x5m h LEU 111 CO 0.38 0.40 -0.45 0.42 -0.62 0.00 0.00 178.44 178.58 1x5m s THR 112 N -3.92 0.10 0.29 1.05 -4.23 -1.26 -3.69 115.64 103.99 1x5m s THR 112 Ca -0.02 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1x5m s THR 112 Cb 0.13 -0.73 0.28 0.00 1.34 0.00 0.00 72.50 73.52 1x5m s THR 112 CO 0.71 -0.47 1.89 1.56 -0.54 0.00 0.00 174.62 177.77 1x5m h GLN 113 N 3.80 1.02 -0.70 3.99 4.20 -1.59 -2.58 115.11 123.24 1x5m h GLN 113 Ca -0.32 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.40 1x5m h GLN 113 Cb 1.19 -0.23 -0.10 0.00 0.30 0.00 0.00 27.48 28.64 1x5m h GLN 113 CO 0.46 0.67 -0.54 -0.24 -0.67 0.00 0.00 178.83 178.52 1x5m h VAL 114 N 1.05 0.00 -1.28 -0.54 3.04 -1.89 1.50 116.25 118.13 1x5m h VAL 114 Ca 0.42 0.00 0.38 0.00 -1.01 0.00 0.00 66.70 66.49 1x5m h VAL 114 Cb 0.26 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.44 1x5m h VAL 114 CO -0.17 0.00 0.86 -0.08 -1.01 0.00 0.00 177.57 177.17 1x5m h GLU 115 N -0.15 0.14 0.29 4.17 4.81 -1.84 1.50 114.58 123.50 1x5m h GLU 115 Ca 0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1x5m h GLU 115 Cb 0.45 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1x5m h GLU 115 CO -0.74 0.09 -0.14 -0.22 -0.73 0.00 0.00 179.01 177.27 1x5m h LYS 116 N 0.15 -0.38 0.00 1.92 3.64 0.19 1.08 116.57 123.16 1x5m h LYS 116 Ca 0.70 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 60.10 1x5m h LYS 116 Cb 2.31 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 34.22 1x5m h LYS 116 CO -0.23 -0.07 -0.02 1.05 -2.27 0.00 0.00 179.45 177.90 1x5m h GLU 117 N -0.98 0.00 0.00 1.90 4.11 0.25 0.16 114.58 120.02 1x5m h GLU 117 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1x5m h GLU 117 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x5m h GLU 117 CO 0.07 0.02 -0.19 0.00 0.07 0.00 0.00 179.01 178.98 1x5m h LYS 119 N -1.00 -0.06 0.06 0.00 1.79 0.15 -0.13 116.57 117.38 1x5m h LYS 119 Ca -0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1x5m h LYS 119 Cb 0.21 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 1x5m h LYS 119 CO -0.00 -0.04 -0.35 0.93 -1.08 0.00 0.00 179.45 178.91 1x5m h GLU 120 N -0.06 -0.52 -6.31 3.15 4.39 -0.84 -3.34 114.58 111.05 1x5m h GLU 120 Ca 0.30 0.04 -0.60 0.00 0.34 0.00 0.00 59.36 59.43 1x5m h GLU 120 Cb 0.52 0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1x5m h GLU 120 CO -0.70 -0.35 1.08 1.63 -1.16 0.00 0.00 179.01 179.51 1x5m n LYS 121 N -5.43 2.25 -3.16 2.33 5.02 -0.06 -3.37 118.16 115.74 1x5m n LYS 121 Ca -0.06 0.82 -0.09 0.00 -2.02 0.00 0.00 58.31 56.97 1x5m n LYS 121 Cb 0.34 -2.67 0.01 0.00 -0.02 0.00 0.00 35.03 32.69 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x5m n SER 122 N 6.41 -6.66 -0.30 4.39 2.88 -1.26 -4.88 113.62 114.19 1x5m n SER 122 Ca 0.22 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1x5m n SER 122 Cb 0.31 -2.41 0.00 0.00 -0.75 0.00 0.00 64.21 61.35 1x5m n SER 122 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5m n GLY 123 N 0.81 5.83 3.77 0.46 0.00 -1.22 -4.94 105.19 109.91 1x5m n GLY 123 Ca -0.01 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 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 0.37 0.33 -0.01 1.61 0.04 -1.26 -5.01 135.00 131.08 1x5m s PRO 124 Ca 0.00 -0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.79 1x5m s PRO 124 Cb 0.00 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 1x5m s PRO 124 CO 0.00 -2.69 1.05 0.77 0.04 0.00 0.00 177.00 176.17 1x5m h SER 125 N -1.85 -0.46 -3.59 6.66 0.02 -2.03 -3.40 113.55 108.91 1x5m h SER 125 Ca -0.47 -0.12 -0.64 0.00 -0.84 0.00 0.00 61.79 59.72 1x5m h SER 125 Cb 1.29 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.81 1x5m h SER 125 CO 0.47 -0.05 0.05 -0.44 -1.14 0.00 0.00 176.83 175.71 1x5m s SER 126 N -4.95 6.35 0.00 3.07 0.01 -1.26 -5.28 113.70 111.64 1x5m s SER 126 Ca -0.13 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1x5m s SER 126 Cb 0.01 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1x5m s SER 126 CO 0.45 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.13