#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m n SER 2 N 0.00 -7.46 -4.87 1.61 7.64 -1.26 -4.86 113.62 104.43 1x5m n SER 2 Ca 0.00 1.10 -0.33 0.00 1.01 0.00 0.00 58.87 60.65 1x5m n SER 2 Cb 0.00 -4.32 -0.05 0.00 -1.01 0.00 0.00 64.21 58.83 1x5m n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5m s SER 3 N -6.98 6.67 -0.08 6.43 0.01 -1.26 -5.09 113.70 113.40 1x5m s SER 3 Ca 0.00 0.90 -0.04 0.00 1.31 0.00 0.00 55.95 58.12 1x5m s SER 3 Cb 0.00 -2.22 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1x5m s SER 3 CO 0.00 0.04 0.18 -0.83 0.41 0.00 0.00 173.24 173.05 1x5m s GLY 4 N -2.06 -0.06 0.04 3.44 0.00 -1.26 -5.15 107.32 102.28 1x5m s GLY 4 Ca 0.41 0.77 0.01 0.00 0.00 0.00 0.00 44.72 45.91 1x5m s GLY 4 CO 0.20 1.22 -0.06 -0.56 0.00 0.00 0.00 173.10 173.90 1x5m s SER 5 N 1.42 0.67 -0.01 1.64 0.01 -1.26 -5.16 113.70 111.02 1x5m s SER 5 Ca -0.07 -0.62 -0.29 0.00 1.31 0.00 0.00 55.95 56.29 1x5m s SER 5 Cb -0.11 0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.29 1x5m s SER 5 CO -0.07 -0.29 0.88 -0.94 0.41 0.00 0.00 173.24 173.23 1x5m s SER 6 N -1.80 -0.38 0.10 2.44 1.04 -1.26 -5.19 113.70 108.65 1x5m s SER 6 Ca -0.08 0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.15 1x5m s SER 6 Cb -0.07 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1x5m s SER 6 CO -0.01 -0.62 0.64 -0.83 0.98 0.00 0.00 173.24 173.40 1x5m s GLY 7 N -2.35 -0.59 -0.32 7.32 0.00 -1.26 -5.13 107.32 104.98 1x5m s GLY 7 Ca 0.04 0.72 -0.18 0.00 0.00 0.00 0.00 44.72 45.30 1x5m s GLY 7 CO -0.08 0.35 0.50 0.14 0.00 0.00 0.00 173.10 174.01 1x5m s VAL 8 N -3.15 5.04 0.18 1.40 1.01 -1.26 -5.05 120.40 118.57 1x5m s VAL 8 Ca -0.01 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 1x5m s VAL 8 Cb -0.01 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1x5m s VAL 8 CO -0.08 -0.12 0.68 -0.69 0.00 0.00 0.00 175.10 174.89 1x5m s VAL 9 N 2.35 4.61 -0.22 2.92 1.01 -1.26 -5.06 120.40 124.74 1x5m s VAL 9 Ca 0.19 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.41 1x5m s VAL 9 Cb -0.15 -3.88 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1x5m s VAL 9 CO 0.12 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.54 1x5m s ALA 10 N -1.41 1.40 -0.30 5.51 0.00 -1.26 -5.10 121.76 120.61 1x5m s ALA 10 Ca 0.39 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 1x5m s ALA 10 Cb -0.18 -1.33 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 1x5m s ALA 10 CO 0.21 -1.25 1.35 -1.25 0.00 0.00 0.00 175.76 174.82 1x5m s PRO 11 N 1.67 3.86 0.42 0.00 0.04 -1.26 -4.98 135.00 134.74 1x5m s PRO 11 Ca -0.01 1.26 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 1x5m s PRO 11 Cb -0.18 -3.92 -0.08 0.00 0.04 0.00 0.00 34.50 30.36 1x5m s PRO 11 CO -0.10 -1.20 1.32 0.96 0.04 0.00 0.00 177.00 178.03 1x5m s ILE 12 N 4.60 2.53 -0.09 0.56 -4.36 -1.26 -5.01 121.20 118.17 1x5m s ILE 12 Ca 0.59 0.47 0.01 0.00 -0.26 0.00 0.00 60.65 61.46 1x5m s ILE 12 Cb -0.17 -3.28 -0.02 0.00 1.25 0.00 0.00 42.46 40.24 1x5m s ILE 12 CO 0.25 0.07 -0.14 0.42 0.24 0.00 0.00 174.94 175.78 1x5m s THR 13 N -1.26 3.06 0.11 8.37 -4.23 -1.26 -5.07 115.64 115.37 1x5m s THR 13 Ca 0.58 -0.69 -0.23 0.00 -1.18 0.00 0.00 61.69 60.18 1x5m s THR 13 Cb -0.39 -2.25 -0.13 0.00 1.34 0.00 0.00 72.50 71.08 1x5m s THR 13 CO 0.50 0.55 0.48 1.07 -0.54 0.00 0.00 174.62 176.68 1x5m n THR 14 N 2.98 1.09 0.00 3.99 5.66 -1.26 -4.83 114.28 121.91 1x5m n THR 14 Ca -0.18 -0.27 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1x5m n THR 14 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 1.37 3.40 3.93 1.09 0.00 -1.26 -5.19 105.19 108.52 1x5m n GLY 15 Ca 0.13 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.44 1x5m n GLY 15 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1x5m n TYR 16 N 0.00 -0.53 -4.19 1.61 4.11 -1.26 -5.18 117.16 111.73 1x5m n TYR 16 Ca 0.00 -0.80 -0.16 0.00 -0.00 0.00 0.00 57.90 56.94 1x5m n TYR 16 Cb 0.00 0.37 -0.13 0.00 -0.00 0.00 0.00 39.34 39.58 1x5m n TYR 16 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 1x5m s THR 17 N -2.02 0.74 0.47 -3.48 -4.23 -1.26 -4.37 115.64 101.49 1x5m s THR 17 Ca 0.29 -0.89 -0.20 0.00 -1.18 0.00 0.00 61.69 59.71 1x5m s THR 17 Cb -0.01 -0.72 -0.09 0.00 1.34 0.00 0.00 72.50 73.02 1x5m s THR 17 CO 0.00 -0.14 1.00 -0.69 -0.54 0.00 0.00 174.62 174.26 1x5m s VAL 18 N -0.93 4.08 -0.39 2.29 1.01 0.35 -4.69 120.40 122.12 1x5m s VAL 18 Ca -0.03 1.25 -0.19 0.00 0.00 0.00 0.00 61.98 63.01 1x5m s VAL 18 Cb -0.08 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1x5m s VAL 18 CO 0.01 -0.32 0.53 -0.75 0.00 0.00 0.00 175.10 174.56 1x5m s LYS 19 N -3.33 3.39 -1.32 2.72 2.20 -1.26 0.97 119.74 123.09 1x5m s LYS 19 Ca 0.64 -0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.71 1x5m s LYS 19 Cb -0.13 -3.89 0.02 0.00 -1.51 0.00 0.00 37.83 32.32 1x5m s LYS 19 CO 0.19 -0.80 2.07 -0.89 -0.36 0.00 0.00 175.35 175.56 1x5m n ILE 20 N 5.55 3.29 -0.13 5.43 5.41 -0.90 -4.66 119.36 133.35 1x5m n ILE 20 Ca -0.05 -3.04 -0.11 0.00 1.00 0.00 0.00 62.75 60.56 1x5m n ILE 20 Cb 0.48 -2.50 -0.02 0.00 -0.71 0.00 0.00 39.64 36.90 1x5m n ILE 20 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1x5m h SER 21 N 6.75 0.67 -3.71 4.38 0.87 -1.93 -3.40 113.55 117.18 1x5m h SER 21 Ca 0.51 -0.32 -0.63 0.00 -1.23 0.00 0.00 61.79 60.12 1x5m h SER 21 Cb 0.71 -0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.34 1x5m h SER 21 CO 1.77 0.83 -0.22 0.21 -0.53 0.00 0.00 176.83 178.89 1x5m s ASN 22 N -6.20 6.26 -0.14 6.23 3.84 -1.26 -5.05 114.94 118.62 1x5m s ASN 22 Ca -0.13 0.26 -0.12 0.00 0.21 0.00 0.00 52.86 53.08 1x5m s ASN 22 Cb 0.10 -2.21 0.04 0.00 -0.55 0.00 0.00 41.25 38.62 1x5m s ASN 22 CO 0.79 -0.21 0.36 -0.72 -2.79 0.00 0.00 177.10 174.54 1x5m s TYR 23 N 2.09 -0.41 -0.07 0.43 -0.85 -1.26 -4.81 117.35 112.47 1x5m s TYR 23 Ca 0.15 0.99 -0.21 0.00 -0.52 0.00 0.00 57.07 57.48 1x5m s TYR 23 Cb -0.16 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1x5m s TYR 23 CO 0.10 -0.21 0.62 0.20 -1.52 0.00 0.00 175.55 174.74 1x5m s GLY 24 N 0.36 2.56 0.04 5.49 0.00 -0.79 -4.98 107.32 110.00 1x5m s GLY 24 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1x5m s GLY 24 CO -0.01 0.98 -0.10 0.66 0.00 0.00 0.00 173.10 174.63 1x5m s TRP 25 N 0.54 0.88 -0.28 1.90 1.48 -1.26 0.20 118.94 122.40 1x5m s TRP 25 Ca 0.33 -0.40 -0.20 0.00 -1.06 0.00 0.00 56.10 54.78 1x5m s TRP 25 Cb -0.17 -0.52 0.08 0.00 -1.16 0.00 0.00 33.47 31.70 1x5m s TRP 25 CO 0.16 -0.02 0.72 -0.51 -4.06 0.00 0.00 176.95 173.24 1x5m s ASP 26 N -1.31 -0.85 0.14 -2.66 1.01 -0.61 -4.91 116.67 107.49 1x5m s ASP 26 Ca -0.04 1.45 -0.09 0.00 0.71 0.00 0.00 52.55 54.58 1x5m s ASP 26 Cb -0.08 1.40 -0.01 0.00 1.01 0.00 0.00 42.92 45.24 1x5m s ASP 26 CO 0.01 -0.24 0.25 0.00 0.21 0.00 0.00 175.17 175.41 1x5m s GLN 27 N 1.13 1.07 0.23 8.23 1.03 -1.26 -2.86 119.66 127.24 1x5m s GLN 27 Ca -0.06 -1.12 0.00 0.00 0.04 0.00 0.00 55.36 54.22 1x5m s GLN 27 Cb -0.05 0.37 -0.04 0.00 0.03 0.00 0.00 33.01 33.32 1x5m s GLN 27 CO -0.12 -0.38 0.19 -1.12 -2.54 0.00 0.00 175.29 171.32 1x5m s SER 28 N -2.94 0.47 -0.97 12.60 0.01 -1.04 -4.96 113.70 116.86 1x5m s SER 28 Ca 0.14 -1.44 -0.26 0.00 1.31 0.00 0.00 55.95 55.69 1x5m s SER 28 Cb 0.04 0.43 -0.19 0.00 0.21 0.00 0.00 66.02 66.51 1x5m s SER 28 CO -0.03 -0.91 2.22 -1.81 0.41 0.00 0.00 173.24 173.12 1x5m s ASP 29 N -3.20 3.63 0.00 2.44 1.01 -1.26 -2.44 116.67 116.85 1x5m s ASP 29 Ca 0.38 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1x5m s ASP 29 Cb 0.05 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1x5m s ASP 29 CO 0.15 -4.41 0.00 0.29 0.21 0.00 0.00 175.17 171.42 1x5m n LYS 30 N 8.43 0.00 -4.08 8.23 4.76 -1.26 -4.48 118.16 129.75 1x5m n LYS 30 Ca 0.43 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.77 1x5m n LYS 30 Cb 0.45 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.57 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 0.71 -0.05 2.13 0.08 -1.02 -4.20 117.98 115.63 1x5m s PHE 31 Ca 0.00 -1.01 0.06 0.00 0.12 0.00 0.00 56.93 56.11 1x5m s PHE 31 Cb 0.00 -0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 1x5m s PHE 31 CO 0.00 -0.86 -0.24 0.08 -0.10 0.00 0.00 175.22 174.11 1x5m s VAL 32 N -4.04 2.22 -0.03 -0.44 1.01 -0.41 -2.51 120.40 116.19 1x5m s VAL 32 Ca 0.29 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1x5m s VAL 32 Cb 0.02 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1x5m s VAL 32 CO 0.11 0.57 0.21 -0.75 0.00 0.00 0.00 175.10 175.24 1x5m s LYS 33 N -0.37 0.44 0.12 2.72 2.20 -1.13 0.15 119.74 123.87 1x5m s LYS 33 Ca 0.03 -0.09 0.10 0.00 -0.36 0.00 0.00 55.97 55.65 1x5m s LYS 33 Cb -0.12 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1x5m s LYS 33 CO 0.02 -0.10 -0.26 0.42 -0.36 0.00 0.00 175.35 175.07 1x5m s ILE 34 N -0.81 2.14 -0.27 5.43 1.09 -0.85 -1.58 121.20 126.35 1x5m s ILE 34 Ca -0.09 -1.69 -0.01 0.00 -1.10 0.00 0.00 60.65 57.76 1x5m s ILE 34 Cb -0.05 -1.90 0.08 0.00 -1.06 0.00 0.00 42.46 39.53 1x5m s ILE 34 CO 0.02 0.08 0.06 -0.31 -0.10 0.00 0.00 174.94 174.69 1x5m s TYR 35 N -1.06 1.64 0.06 3.97 1.51 0.52 -1.85 117.35 122.15 1x5m s TYR 35 Ca 0.12 -1.51 0.01 0.00 -1.01 0.00 0.00 57.07 54.68 1x5m s TYR 35 Cb -0.10 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1x5m s TYR 35 CO 0.05 -0.79 0.16 0.42 -1.11 0.00 0.00 175.55 174.28 1x5m s ILE 36 N 1.65 5.09 -0.51 2.71 1.09 -0.94 -1.89 121.20 128.39 1x5m s ILE 36 Ca 0.05 -0.51 -0.18 0.00 -1.10 0.00 0.00 60.65 58.90 1x5m s ILE 36 Cb -0.17 -3.47 0.06 0.00 -1.06 0.00 0.00 42.46 37.82 1x5m s ILE 36 CO -0.18 0.14 0.59 -0.89 -0.10 0.00 0.00 174.94 174.51 1x5m s THR 37 N -1.46 4.93 -0.29 2.92 2.01 -1.26 -1.51 115.64 120.98 1x5m s THR 37 Ca 0.33 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1x5m s THR 37 Cb -0.13 -4.29 0.10 0.00 0.01 0.00 0.00 72.50 68.19 1x5m s THR 37 CO 0.26 -0.80 0.11 -0.22 -0.69 0.00 0.00 174.62 173.28 1x5m s LEU 38 N 2.47 1.12 -0.11 4.42 1.98 -0.26 -4.94 118.68 123.36 1x5m s LEU 38 Ca 0.13 -1.35 -0.30 0.00 -2.89 0.00 0.00 54.13 49.73 1x5m s LEU 38 Cb -0.20 -0.52 -0.03 0.00 0.66 0.00 0.00 46.19 46.09 1x5m s LEU 38 CO 0.10 -0.42 1.29 -0.89 -1.89 0.00 0.00 176.35 174.54 1x5m s THR 39 N 1.93 4.16 0.00 3.68 2.01 -1.24 -2.60 115.64 123.58 1x5m s THR 39 Ca 0.08 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1x5m s THR 39 Cb -0.16 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1x5m s THR 39 CO -0.30 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.16 1x5m n GLY 40 N 3.58 2.52 0.35 4.40 0.00 -1.26 -4.00 105.19 110.78 1x5m n GLY 40 Ca 0.13 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 0.42 -0.15 1.61 3.04 -1.86 1.55 116.25 120.86 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 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 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 -3.73 0.19 -0.03 3.17 1.44 -1.26 -3.57 115.22 111.43 1x5m n HIS 42 Ca 0.02 -0.10 -0.03 0.00 -2.01 0.00 0.00 57.72 55.60 1x5m n HIS 42 Cb 0.37 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.43 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 0.11 2.85 -1.80 -1.40 6.02 0.52 -5.01 117.38 118.66 1x5m n GLN 43 Ca 0.15 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.81 1x5m n GLN 43 Cb 0.26 -1.17 0.04 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.16 3.67 0.91 5.09 -7.23 -0.32 -5.04 120.40 115.33 1x5m s VAL 44 Ca -0.03 0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 60.72 1x5m s VAL 44 Cb 0.02 -3.27 0.14 0.00 0.56 0.00 0.00 36.38 33.83 1x5m s VAL 44 CO 0.28 -0.55 1.14 -2.16 -0.31 0.00 0.00 175.10 173.49 1x5m s PRO 45 N -4.36 1.15 0.00 4.82 0.04 -1.26 -4.93 135.00 130.46 1x5m s PRO 45 Ca 0.63 0.29 0.27 0.00 0.04 0.00 0.00 61.00 62.23 1x5m s PRO 45 Cb -0.17 -1.84 1.44 0.00 0.04 0.00 0.00 34.50 33.98 1x5m s PRO 45 CO 0.43 -2.19 1.92 -2.37 0.04 0.00 0.00 177.00 174.84 1x5m n THR 46 N -3.76 0.10 0.16 1.26 5.66 -1.26 -2.48 114.28 113.95 1x5m n THR 46 Ca 0.06 0.02 0.12 0.00 -3.05 0.00 0.00 64.05 61.20 1x5m n THR 46 Cb 0.59 -0.59 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1x5m n THR 46 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 1x5m h GLU 47 N 0.00 0.00 0.00 1.09 4.11 -2.00 -3.28 114.58 114.49 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 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x5m h GLU 47 CO 0.00 0.00 -0.85 -0.91 0.07 0.00 0.00 179.01 177.32 1x5m h ASN 48 N 0.00 0.00 -3.57 3.06 4.21 -1.80 -3.43 115.58 114.05 1x5m h ASN 48 Ca 0.00 -0.11 -0.71 0.00 1.21 0.00 0.00 56.30 56.69 1x5m h ASN 48 Cb 0.98 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 37.94 1x5m h ASN 48 CO 0.00 0.06 -0.49 -0.69 -1.29 0.00 0.00 177.43 175.01 1x5m s VAL 49 N -3.27 4.76 -0.24 2.81 1.01 -1.22 -0.66 120.40 123.58 1x5m s VAL 49 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1x5m s VAL 49 Cb 0.11 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.88 1x5m s VAL 49 CO 0.76 -0.24 -0.10 -1.10 0.00 0.00 0.00 175.10 174.42 1x5m s GLN 50 N 1.59 2.67 -0.03 2.72 -0.21 -0.34 -4.90 119.66 121.16 1x5m s GLN 50 Ca 0.03 -1.08 0.02 0.00 0.02 0.00 0.00 55.36 54.35 1x5m s GLN 50 Cb -0.19 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 30.94 1x5m s GLN 50 CO 0.08 -0.43 -0.07 0.54 -2.12 0.00 0.00 175.29 173.29 1x5m s VAL 51 N 1.25 0.65 -0.07 1.09 0.11 -1.26 0.19 120.40 122.36 1x5m s VAL 51 Ca -0.02 -0.25 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 1x5m s VAL 51 Cb -0.17 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 1x5m s VAL 51 CO -0.06 0.23 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.47 1x5m s HIS 52 N 0.47 2.03 0.04 1.54 5.04 0.57 -4.96 115.29 120.02 1x5m s HIS 52 Ca -0.07 -0.75 -0.00 0.00 -1.54 0.00 0.00 55.06 52.70 1x5m s HIS 52 Cb -0.11 -1.39 -0.04 0.00 0.04 0.00 0.00 32.58 31.09 1x5m s HIS 52 CO 0.00 -0.31 0.17 -0.06 -2.34 0.00 0.00 174.74 172.20 1x5m s PHE 53 N 0.35 3.44 0.00 3.88 0.08 -1.26 -0.52 117.98 123.95 1x5m s PHE 53 Ca -0.13 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1x5m s PHE 53 Cb -0.16 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1x5m s PHE 53 CO 0.06 0.59 0.00 0.25 -0.10 0.00 0.00 175.22 176.01 1x5m n THR 54 N 0.56 0.00 0.11 0.64 -2.24 -0.37 -4.87 114.28 108.11 1x5m n THR 54 Ca -0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.51 1x5m n THR 54 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.43 -1.63 -0.78 4.11 -1.99 -3.37 114.58 111.36 1x5m h GLU 55 Ca 0.00 -0.64 -0.44 0.00 0.07 0.00 0.00 59.36 58.34 1x5m h GLU 55 Cb 0.00 0.23 -0.35 0.00 0.50 0.00 0.00 28.75 29.12 1x5m h GLU 55 CO 0.00 1.29 -1.05 0.54 0.07 0.00 0.00 179.01 179.86 1x5m n ARG 56 N -3.66 0.94 0.00 1.06 5.12 -1.26 0.38 116.66 119.24 1x5m n ARG 56 Ca -0.11 -3.08 0.00 0.00 -1.93 0.00 0.00 57.85 52.73 1x5m n ARG 56 Cb 1.00 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 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 0.47 0.00 -3.63 0.55 3.41 -1.26 -2.65 113.62 110.51 1x5m n SER 57 Ca 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 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 -0.95 -0.01 7.33 -0.12 -0.12 -1.23 117.98 120.87 1x5m s PHE 58 Ca 0.00 1.84 0.00 0.00 -0.05 0.00 0.00 56.93 58.72 1x5m s PHE 58 Cb 0.00 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 1x5m s PHE 58 CO 0.00 -0.47 0.04 0.16 -0.05 0.00 0.00 175.22 174.90 1x5m s ASP 59 N 1.81 5.42 -0.10 1.98 -4.77 0.32 -0.25 116.67 121.07 1x5m s ASP 59 Ca -0.09 0.09 -0.03 0.00 -3.30 0.00 0.00 52.55 49.22 1x5m s ASP 59 Cb -0.06 -1.50 0.05 0.00 -1.09 0.00 0.00 42.92 40.33 1x5m s ASP 59 CO -0.18 0.29 0.15 -0.22 0.70 0.00 0.00 175.17 175.91 1x5m s LEU 60 N -1.57 -0.02 0.09 2.11 0.20 0.52 -0.32 118.68 119.70 1x5m s LEU 60 Ca 0.20 0.13 0.07 0.00 0.69 0.00 0.00 54.13 55.22 1x5m s LEU 60 Cb -0.12 0.19 -0.04 0.00 -0.43 0.00 0.00 46.19 45.80 1x5m s LEU 60 CO 0.11 -0.27 -0.10 -0.22 -0.29 0.00 0.00 176.35 175.58 1x5m s LEU 61 N 2.27 3.02 -0.24 -0.68 1.98 0.50 0.50 118.68 126.04 1x5m s LEU 61 Ca 0.04 -0.37 -0.04 0.00 -2.89 0.00 0.00 54.13 50.87 1x5m s LEU 61 Cb -0.13 -1.81 0.09 0.00 0.66 0.00 0.00 46.19 45.00 1x5m s LEU 61 CO -0.07 0.19 0.16 -0.69 -1.89 0.00 0.00 176.35 174.06 1x5m s VAL 62 N -1.18 -0.18 0.15 1.68 1.01 0.33 -1.19 120.40 121.01 1x5m s VAL 62 Ca 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1x5m s VAL 62 Cb -0.11 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1x5m s VAL 62 CO 0.13 -0.45 0.32 -0.54 0.00 0.00 0.00 175.10 174.56 1x5m s LYS 63 N 2.20 3.49 -0.08 2.72 1.02 0.17 -0.23 119.74 129.03 1x5m s LYS 63 Ca 0.07 -0.41 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 1x5m s LYS 63 Cb -0.16 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1x5m s LYS 63 CO -0.23 0.48 0.11 -1.71 -0.92 0.00 0.00 175.35 173.09 1x5m n ASN 64 N -0.38 -4.07 0.00 2.83 2.85 -1.25 -4.76 115.26 110.48 1x5m n ASN 64 Ca -0.05 1.19 0.00 0.00 -0.11 0.00 0.00 54.58 55.61 1x5m n ASN 64 Cb 0.53 -3.39 0.00 0.00 1.24 0.00 0.00 39.78 38.16 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 2.12 0.00 -3.59 1.20 7.94 0.58 -4.80 117.00 120.44 1x5m n LEU 65 Ca -0.19 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.29 1x5m n LEU 65 Cb 0.30 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.19 1x5m n LEU 65 CO 0.18 0.00 2.13 -3.20 -1.11 0.00 0.00 177.39 175.39 1x5m n ASN 66 N 0.00 2.67 -1.11 1.96 2.85 -1.26 -3.87 115.26 116.50 1x5m n ASN 66 Ca 0.00 -2.65 -0.14 0.00 -0.11 0.00 0.00 54.58 51.67 1x5m n ASN 66 Cb 0.00 -1.11 -0.06 0.00 1.24 0.00 0.00 39.78 39.85 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 4.47 1.46 0.79 8.20 0.00 -1.26 -4.88 105.19 113.97 1x5m n GLY 67 Ca 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.20 0.17 -4.34 1.61 2.85 -1.25 -5.12 118.16 109.88 1x5m n LYS 68 Ca -0.14 -0.35 -0.21 0.00 -1.05 0.00 0.00 58.31 56.56 1x5m n LYS 68 Cb 0.52 0.46 -0.11 0.00 -0.65 0.00 0.00 35.03 35.26 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 -1.48 2.63 -0.04 -5.58 0.01 -1.26 0.21 113.70 108.20 1x5m s SER 69 Ca 0.04 -0.91 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1x5m s SER 69 Cb -0.01 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.10 1x5m s SER 69 CO 0.02 -0.08 -0.02 -0.31 0.41 0.00 0.00 173.24 173.25 1x5m s TYR 70 N -2.36 0.56 0.01 2.43 1.51 0.68 0.13 117.35 120.31 1x5m s TYR 70 Ca 0.18 -0.12 0.05 0.00 -1.01 0.00 0.00 57.07 56.17 1x5m s TYR 70 Cb -0.04 -0.56 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1x5m s TYR 70 CO 0.07 -0.17 -0.14 -1.54 -1.11 0.00 0.00 175.55 172.66 1x5m s SER 71 N 1.00 4.11 -0.20 2.29 1.04 0.27 -0.52 113.70 121.70 1x5m s SER 71 Ca -0.10 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 55.99 1x5m s SER 71 Cb -0.14 -0.82 0.10 0.00 0.10 0.00 0.00 66.02 65.26 1x5m s SER 71 CO -0.01 0.29 0.40 -0.32 0.98 0.00 0.00 173.24 174.58 1x5m s MET 72 N -1.24 0.31 0.03 4.02 0.00 0.18 -2.11 119.30 120.49 1x5m s MET 72 Ca 0.15 0.95 0.02 0.00 0.00 0.00 0.00 55.69 56.80 1x5m s MET 72 Cb -0.11 0.20 -0.02 0.00 0.00 0.00 0.00 34.83 34.90 1x5m s MET 72 CO 0.05 -0.31 -0.07 0.42 0.00 0.00 0.00 175.02 175.11 1x5m s ILE 73 N 2.59 0.50 -0.11 10.11 1.01 -1.26 0.20 121.20 134.24 1x5m s ILE 73 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1x5m s ILE 73 Cb -0.12 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1x5m s ILE 73 CO -0.13 -0.21 -0.10 0.68 0.00 0.00 0.00 174.94 175.18 1x5m s VAL 74 N -0.95 1.19 -0.12 2.92 -7.23 0.65 -4.97 120.40 111.88 1x5m s VAL 74 Ca -0.06 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1x5m s VAL 74 Cb -0.07 -1.15 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1x5m s VAL 74 CO 0.00 0.39 -0.20 0.20 -0.31 0.00 0.00 175.10 175.18 1x5m s ASN 75 N 1.39 3.35 0.00 4.85 0.01 -1.26 -0.94 114.94 122.34 1x5m s ASN 75 Ca -0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1x5m s ASN 75 Cb -0.13 -1.48 0.00 0.00 0.41 0.00 0.00 41.25 40.05 1x5m s ASN 75 CO -0.06 0.13 0.00 0.59 -1.51 0.00 0.00 177.10 176.25 1x5m n ASN 76 N 3.73 -1.74 -4.80 -1.22 3.02 -1.08 -4.73 115.26 108.44 1x5m n ASN 76 Ca -0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.00 1x5m n ASN 76 Cb 0.52 -0.87 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 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 4.31 0.28 3.41 1.43 -1.20 -0.03 118.68 126.87 1x5m s LEU 77 Ca 0.00 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.52 1x5m s LEU 77 Cb 0.00 -2.13 0.68 0.00 0.03 0.00 0.00 46.19 44.76 1x5m s LEU 77 CO 0.00 0.28 1.39 -0.11 0.23 0.00 0.00 176.35 178.15 1x5m n LEU 78 N 2.75 -0.11 -4.31 1.79 7.94 -1.26 -4.17 117.00 119.64 1x5m n LEU 78 Ca -0.17 1.51 -0.17 0.00 -1.11 0.00 0.00 56.01 56.07 1x5m n LEU 78 Cb 0.53 -0.55 -0.10 0.00 0.53 0.00 0.00 43.42 43.83 1x5m n LEU 78 CO 0.35 -1.53 -0.40 -0.54 -1.11 0.00 0.00 177.39 174.16 1x5m s LYS 79 N -5.86 1.24 0.82 1.96 -0.14 -1.26 -4.79 119.74 111.70 1x5m s LYS 79 Ca -0.12 -1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 52.81 1x5m s LYS 79 Cb 0.26 -0.80 0.08 0.00 -1.68 0.00 0.00 37.83 35.69 1x5m s LYS 79 CO 0.69 0.06 1.10 -1.25 -0.76 0.00 0.00 175.35 175.20 1x5m s PRO 80 N -3.74 1.93 -0.03 -1.68 0.04 -1.26 -4.81 135.00 125.44 1x5m s PRO 80 Ca 0.22 0.58 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 1x5m s PRO 80 Cb 0.02 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1x5m s PRO 80 CO 0.05 -1.71 0.10 0.96 0.04 0.00 0.00 177.00 176.44 1x5m s ILE 81 N -3.18 0.01 -0.37 0.56 -5.25 0.16 -3.06 121.20 110.08 1x5m s ILE 81 Ca 0.61 -0.11 -0.29 0.00 -0.99 0.00 0.00 60.65 59.88 1x5m s ILE 81 Cb -0.14 -0.18 0.01 0.00 2.95 0.00 0.00 42.46 45.09 1x5m s ILE 81 CO 0.54 -0.06 1.27 -0.44 -1.79 0.00 0.00 174.94 174.46 1x5m s SER 82 N -0.14 6.61 0.03 4.36 0.01 -0.87 -4.16 113.70 119.53 1x5m s SER 82 Ca -0.02 0.94 -0.14 0.00 1.31 0.00 0.00 55.95 58.04 1x5m s SER 82 Cb -0.02 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 1x5m s SER 82 CO 0.00 -1.19 1.22 0.58 0.41 0.00 0.00 173.24 174.26 1x5m h VAL 83 N 6.12 0.00 -0.99 3.43 2.07 -1.90 2.07 116.25 127.06 1x5m h VAL 83 Ca -0.25 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.59 1x5m h VAL 83 Cb 1.09 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.68 1x5m h VAL 83 CO 1.07 0.00 0.21 -0.62 0.02 0.00 0.00 177.57 178.25 1x5m n GLU 84 N -3.44 -0.07 0.08 1.57 1.02 -1.26 0.22 120.64 118.76 1x5m n GLU 84 Ca -0.06 1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 58.41 1x5m n GLU 84 Cb 0.20 -2.39 -0.05 0.00 -0.02 0.00 0.00 31.44 29.18 1x5m n GLU 84 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1x5m h GLY 85 N 0.00 0.25 -2.36 0.62 0.00 -1.88 -3.46 103.07 96.23 1x5m h GLY 85 Ca 0.69 -0.48 -0.55 0.00 0.00 0.00 0.00 47.33 46.99 1x5m h GLY 85 CO -0.87 0.42 -0.40 1.44 0.00 0.00 0.00 176.54 177.13 1x5m n SER 86 N -3.62 -1.31 -3.43 0.19 7.64 0.70 -4.64 113.62 109.15 1x5m n SER 86 Ca -0.05 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.23 1x5m n SER 86 Cb 0.86 -1.23 -0.02 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 -1.65 -0.55 0.05 6.43 0.01 0.02 -4.92 113.70 113.09 1x5m s SER 87 Ca 0.64 -0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.97 1x5m s SER 87 Cb -0.31 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.49 1x5m s SER 87 CO 0.60 -0.96 -0.25 -0.75 0.41 0.00 0.00 173.24 172.29 1x5m s LYS 88 N -3.72 1.71 0.11 12.44 2.36 -1.26 -0.01 119.74 131.37 1x5m s LYS 88 Ca 0.01 -1.08 -0.00 0.00 -2.55 0.00 0.00 55.97 52.35 1x5m s LYS 88 Cb -0.01 -1.88 -0.04 0.00 -1.05 0.00 0.00 37.83 34.85 1x5m s LYS 88 CO -0.13 0.48 0.00 0.15 1.55 0.00 0.00 175.35 177.41 1x5m s LYS 89 N -1.23 0.86 -0.03 4.03 1.02 -0.01 -4.89 119.74 119.49 1x5m s LYS 89 Ca 0.11 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.73 1x5m s LYS 89 Cb -0.10 0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1x5m s LYS 89 CO 0.02 -0.16 -0.04 0.08 -0.92 0.00 0.00 175.35 174.32 1x5m s VAL 90 N -3.88 0.49 0.48 3.17 1.01 -1.26 0.23 120.40 120.64 1x5m s VAL 90 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1x5m s VAL 90 Cb 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1x5m s VAL 90 CO -0.02 0.20 0.11 -1.59 0.00 0.00 0.00 175.10 173.79 1x5m s LYS 91 N 0.66 2.16 -0.21 2.72 -2.85 0.54 -4.84 119.74 117.93 1x5m s LYS 91 Ca -0.08 -2.17 -0.36 0.00 -1.00 0.00 0.00 55.97 52.36 1x5m s LYS 91 Cb -0.12 -1.74 -0.12 0.00 -2.06 0.00 0.00 37.83 33.79 1x5m s LYS 91 CO -0.00 -0.29 1.93 2.41 0.10 0.00 0.00 175.35 179.50 1x5m n THR 92 N -1.28 0.40 -3.90 3.79 -1.04 -1.26 -0.36 114.28 110.62 1x5m n THR 92 Ca -0.10 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.46 1x5m n THR 92 Cb 0.66 -1.66 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 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 7.25 -2.78 -3.62 8.00 5.68 -1.26 -4.88 116.55 124.94 1x5m n ASP 93 Ca 0.28 -0.75 -0.15 0.00 -0.50 0.00 0.00 54.79 53.67 1x5m n ASP 93 Cb 0.24 -2.33 -0.07 0.00 -1.14 0.00 0.00 41.12 37.81 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 -3.04 0.01 -0.18 2.12 2.01 0.51 -1.10 115.64 115.97 1x5m s THR 94 Ca 0.60 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1x5m s THR 94 Cb -0.34 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.28 1x5m s THR 94 CO 0.74 -0.03 -0.08 0.54 -0.69 0.00 0.00 174.62 175.10 1x5m s VAL 95 N -0.41 3.24 0.03 3.82 0.11 -0.57 0.20 120.40 126.84 1x5m s VAL 95 Ca -0.06 -0.56 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 1x5m s VAL 95 Cb -0.03 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.34 1x5m s VAL 95 CO 0.04 0.47 0.33 -0.76 -3.33 0.00 0.00 175.10 171.86 1x5m s LEU 96 N 0.97 4.37 -0.40 2.54 1.43 0.63 -2.22 118.68 126.01 1x5m s LEU 96 Ca -0.01 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1x5m s LEU 96 Cb -0.15 -2.79 0.13 0.00 0.03 0.00 0.00 46.19 43.42 1x5m s LEU 96 CO -0.00 0.23 0.21 -0.63 0.23 0.00 0.00 176.35 176.39 1x5m s ILE 97 N -1.32 0.94 -0.22 -0.59 -1.09 -0.77 -0.83 121.20 117.31 1x5m s ILE 97 Ca 0.29 -2.14 -0.29 0.00 -2.23 0.00 0.00 60.65 56.28 1x5m s ILE 97 Cb -0.14 -1.67 0.00 0.00 -1.58 0.00 0.00 42.46 39.08 1x5m s ILE 97 CO 0.16 -0.90 1.14 -0.76 -1.23 0.00 0.00 174.94 173.36 1x5m s LEU 98 N 0.74 4.10 -0.30 2.97 1.43 0.98 -2.02 118.68 126.58 1x5m s LEU 98 Ca 0.17 1.45 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1x5m s LEU 98 Cb -0.23 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.53 1x5m s LEU 98 CO -0.03 -0.75 -0.02 0.00 0.23 0.00 0.00 176.35 175.78 1x5m n ARG 100 N 4.36 1.25 -3.60 0.00 5.12 -1.26 -1.29 116.66 121.23 1x5m n ARG 100 Ca -0.05 0.47 -0.33 0.00 -1.93 0.00 0.00 57.85 56.01 1x5m n ARG 100 Cb 0.42 -2.32 -0.05 0.00 -1.16 0.00 0.00 32.46 29.35 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 -2.74 3.69 0.10 5.56 1.02 -1.26 -2.05 119.74 124.06 1x5m s LYS 101 Ca 0.73 0.05 0.16 0.00 0.02 0.00 0.00 55.97 56.93 1x5m s LYS 101 Cb -0.43 -2.87 -0.11 0.00 -0.52 0.00 0.00 37.83 33.90 1x5m s LYS 101 CO 0.49 0.48 0.95 -0.22 -0.92 0.00 0.00 175.35 176.12 1x5m h LYS 102 N 3.08 0.00 -2.23 1.68 3.64 -1.88 -3.39 116.57 117.47 1x5m h LYS 102 Ca -0.47 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 1x5m h LYS 102 Cb 1.17 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.72 1x5m h LYS 102 CO 0.70 0.38 -0.40 0.54 -2.27 0.00 0.00 179.45 178.40 1x5m s VAL 103 N -2.90 -0.65 1.06 2.00 0.11 -1.26 -5.04 120.40 113.72 1x5m s VAL 103 Ca -0.02 0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.99 1x5m s VAL 103 Cb 0.08 -0.74 0.22 0.00 -1.53 0.00 0.00 36.38 34.42 1x5m s VAL 103 CO 0.80 0.00 1.07 -1.61 -3.33 0.00 0.00 175.10 172.03 1x5m s GLU 104 N 2.60 -0.06 -1.12 1.54 8.01 -1.26 -3.84 118.70 124.57 1x5m s GLU 104 Ca 0.04 0.62 -0.04 0.00 0.01 0.00 0.00 54.97 55.60 1x5m s GLU 104 Cb -0.13 -1.67 0.00 0.00 -4.31 0.00 0.00 34.13 28.02 1x5m s GLU 104 CO -0.14 -3.09 0.50 -1.71 0.01 0.00 0.00 175.26 170.83 1x5m n ASN 105 N -4.44 -4.95 -3.78 -0.19 2.85 -1.26 -4.96 115.26 98.54 1x5m n ASN 105 Ca 0.04 -0.23 -0.30 0.00 -0.11 0.00 0.00 54.58 53.98 1x5m n ASN 105 Cb 0.56 -3.77 -0.14 0.00 1.24 0.00 0.00 39.78 37.67 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1x5m s THR 106 N -3.03 1.32 0.73 -0.44 2.01 -1.25 -5.07 115.64 109.90 1x5m s THR 106 Ca 0.25 -1.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.13 1x5m s THR 106 Cb -0.11 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.47 1x5m s THR 106 CO 0.31 -0.74 1.19 -0.60 -0.69 0.00 0.00 174.62 174.09 1x5m s ARG 107 N 1.06 2.20 -0.37 4.92 3.52 -1.26 -4.82 118.95 124.20 1x5m s ARG 107 Ca 0.13 1.69 0.01 0.00 -0.13 0.00 0.00 55.73 57.43 1x5m s ARG 107 Cb -0.20 -1.85 0.10 0.00 -1.56 0.00 0.00 34.95 31.45 1x5m s ARG 107 CO -0.14 -1.77 0.11 -1.58 -0.81 0.00 0.00 175.30 171.11 1x5m s TRP 108 N -2.07 3.70 0.53 5.12 0.52 -1.26 -4.94 118.94 120.55 1x5m s TRP 108 Ca 0.73 -2.79 0.21 0.00 0.02 0.00 0.00 56.10 54.26 1x5m s TRP 108 Cb -0.27 -3.04 1.44 0.00 -1.15 0.00 0.00 33.47 30.44 1x5m s TRP 108 CO 0.45 -0.96 2.17 -0.44 0.02 0.00 0.00 176.95 178.19 1x5m h ASP 109 N 7.76 0.00 -5.35 2.95 3.32 -1.97 -3.43 116.42 119.69 1x5m h ASP 109 Ca -0.07 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1x5m h ASP 109 Cb 1.03 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.44 1x5m h ASP 109 CO 0.59 0.02 -0.57 -0.31 -1.72 0.00 0.00 179.24 177.25 1x5m s TYR 110 N -4.86 0.68 0.27 4.55 2.02 -1.26 -5.04 117.35 113.71 1x5m s TYR 110 Ca -0.05 -1.08 0.08 0.00 -0.37 0.00 0.00 57.07 55.66 1x5m s TYR 110 Cb 0.16 -0.36 0.36 0.00 -0.40 0.00 0.00 41.96 41.73 1x5m s TYR 110 CO 0.63 -0.54 1.62 1.25 -1.57 0.00 0.00 175.55 176.94 1x5m h LEU 111 N 2.83 0.11 -8.17 -1.29 7.12 -1.97 -3.42 115.31 110.53 1x5m h LEU 111 Ca -0.34 -0.06 -0.29 0.00 0.13 0.00 0.00 57.88 57.31 1x5m h LEU 111 Cb 1.20 -0.03 -0.22 0.00 -0.53 0.00 0.00 40.66 41.07 1x5m h LEU 111 CO 0.58 0.66 -0.74 0.42 -0.13 0.00 0.00 178.44 179.23 1x5m s THR 112 N -3.76 0.59 0.31 1.05 -4.23 -1.26 -4.22 115.64 104.11 1x5m s THR 112 Ca -0.03 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1x5m s THR 112 Cb 0.13 -0.63 0.28 0.00 1.34 0.00 0.00 72.50 73.62 1x5m s THR 112 CO 0.77 -0.32 1.91 -0.61 -0.54 0.00 0.00 174.62 175.84 1x5m h GLN 113 N 4.61 0.97 -0.31 3.99 4.15 -0.61 -2.54 115.11 125.37 1x5m h GLN 113 Ca -0.36 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.05 1x5m h GLN 113 Cb 1.20 -0.22 -0.08 0.00 0.21 0.00 0.00 27.48 28.59 1x5m h GLN 113 CO 0.41 0.64 -0.55 -0.24 -1.93 0.00 0.00 178.83 177.17 1x5m h VAL 114 N 1.00 0.01 -1.37 2.39 3.04 -1.85 0.54 116.25 120.00 1x5m h VAL 114 Ca 0.38 0.00 0.47 0.00 -1.01 0.00 0.00 66.70 66.54 1x5m h VAL 114 Cb 0.21 0.01 -0.13 0.00 -2.01 0.00 0.00 31.29 29.36 1x5m h VAL 114 CO -0.14 0.00 0.89 1.21 -1.01 0.00 0.00 177.57 178.51 1x5m n GLU 115 N -5.40 -0.03 0.04 4.17 2.13 -0.96 0.19 120.64 120.78 1x5m n GLU 115 Ca -0.04 1.21 -0.11 0.00 0.66 0.00 0.00 57.16 58.88 1x5m n GLU 115 Cb 0.36 -2.41 -0.08 0.00 0.27 0.00 0.00 31.44 29.58 1x5m n GLU 115 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1x5m h LYS 116 N 0.00 -0.18 0.00 5.31 3.64 -0.06 1.54 116.57 126.82 1x5m h LYS 116 Ca 0.86 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.25 1x5m h LYS 116 Cb 2.81 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.67 1x5m h LYS 116 CO -0.43 0.28 0.00 1.05 -2.27 0.00 0.00 179.45 178.08 1x5m h GLU 117 N -0.84 0.00 0.00 1.90 4.11 0.26 0.45 114.58 120.46 1x5m h GLU 117 Ca -0.02 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.10 1x5m h GLU 117 Cb 0.54 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1x5m h GLU 117 CO 0.03 0.00 -1.82 0.00 0.07 0.00 0.00 179.01 177.29 1x5m h LYS 119 N -1.00 0.96 0.00 0.00 1.79 0.25 -3.42 116.57 115.15 1x5m h LYS 119 Ca -0.47 -0.06 -0.20 0.00 -2.18 0.00 0.00 60.65 57.74 1x5m h LYS 119 Cb 1.38 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 1x5m h LYS 119 CO -0.28 0.64 -0.15 0.39 -1.08 0.00 0.00 179.45 178.96 1x5m n GLU 120 N -4.61 1.56 0.00 3.15 -0.58 0.15 -4.66 120.64 115.66 1x5m n GLU 120 Ca 0.12 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.71 1x5m n GLU 120 Cb 0.17 0.33 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 1x5m n GLU 120 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1x5m n LYS 121 N -0.39 0.00 -3.75 3.49 4.81 -1.26 -4.45 118.16 116.61 1x5m n LYS 121 Ca -0.06 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.10 1x5m n LYS 121 Cb 0.20 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.14 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1x5m s SER 122 N 0.00 3.82 0.00 3.14 0.15 -1.26 -5.05 113.70 114.50 1x5m s SER 122 Ca 0.00 -3.61 0.00 0.00 0.70 0.00 0.00 55.95 53.04 1x5m s SER 122 Cb 0.00 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1x5m s SER 122 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1x5m n GLY 123 N 2.25 -1.12 3.79 9.45 0.00 -1.26 -4.95 105.19 113.34 1x5m n GLY 123 Ca 0.22 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.11 0.96 -0.39 1.61 0.04 -1.26 -5.01 135.00 129.84 1x5m s PRO 124 Ca 0.00 0.21 -0.09 0.00 0.04 0.00 0.00 61.00 61.17 1x5m s PRO 124 Cb 0.00 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.78 1x5m s PRO 124 CO 0.00 -2.30 0.21 0.45 0.04 0.00 0.00 177.00 175.40 1x5m s SER 125 N -4.09 5.57 -0.77 6.66 0.15 -1.26 -4.81 113.70 115.15 1x5m s SER 125 Ca 0.65 -1.35 -0.24 0.00 0.70 0.00 0.00 55.95 55.71 1x5m s SER 125 Cb -0.14 -1.96 0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1x5m s SER 125 CO 0.53 -0.46 1.19 -0.55 1.20 0.00 0.00 173.24 175.15 1x5m s SER 126 N 1.84 6.25 0.00 5.45 0.15 -1.26 -5.24 113.70 120.88 1x5m s SER 126 Ca 0.02 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1x5m s SER 126 Cb -0.21 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1x5m s SER 126 CO 0.03 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.47