#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m h SER 2 N 0.00 0.00 -3.43 1.61 0.02 -2.14 -3.47 113.55 106.14 1x5m h SER 2 Ca 0.00 -0.13 -0.34 0.00 -0.84 0.00 0.00 61.79 60.48 1x5m h SER 2 Cb 0.00 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.18 1x5m h SER 2 CO 0.00 0.71 -0.74 -0.94 -1.14 0.00 0.00 176.83 174.72 1x5m s SER 3 N -5.77 0.56 0.00 3.07 1.04 -1.26 -5.12 113.70 106.23 1x5m s SER 3 Ca -0.09 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x5m s SER 3 Cb 0.01 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1x5m s SER 3 CO 0.18 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1x5m n GLY 4 N 4.61 4.52 3.64 7.32 0.00 -1.26 -5.18 105.19 118.84 1x5m n GLY 4 Ca -0.18 -1.22 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 1x5m n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5m s SER 5 N 0.00 -0.02 0.17 1.61 0.15 -1.26 -4.95 113.70 109.39 1x5m s SER 5 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x5m s SER 5 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 1x5m s SER 5 CO 0.00 -0.03 0.00 -1.20 1.20 0.00 0.00 173.24 173.21 1x5m n SER 6 N 0.28 0.55 0.00 5.45 7.64 -1.26 -5.15 113.62 121.13 1x5m n SER 6 Ca 0.02 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1x5m n SER 6 Cb 0.58 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1x5m n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 7 N 2.69 3.42 3.16 0.23 0.00 -1.26 -5.17 105.19 108.26 1x5m n GLY 7 Ca 0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.76 1.09 -0.23 1.61 0.11 -1.26 -5.13 120.40 115.82 1x5m s VAL 8 Ca 0.00 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 57.76 1x5m s VAL 8 Cb 0.00 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1x5m s VAL 8 CO 0.00 -0.16 0.11 0.54 -3.33 0.00 0.00 175.10 172.26 1x5m s VAL 9 N -1.14 4.91 0.11 2.04 0.11 -1.26 -5.09 120.40 120.08 1x5m s VAL 9 Ca -0.01 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1x5m s VAL 9 Cb -0.09 -3.28 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 1x5m s VAL 9 CO 0.02 0.36 -0.12 0.00 -3.33 0.00 0.00 175.10 172.02 1x5m s ALA 10 N 1.16 1.31 1.11 1.54 0.00 -1.26 -5.16 121.76 120.46 1x5m s ALA 10 Ca 0.06 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.59 1x5m s ALA 10 Cb -0.14 -0.02 0.26 0.00 0.00 0.00 0.00 23.12 23.22 1x5m s ALA 10 CO 0.04 0.03 1.23 -1.25 0.00 0.00 0.00 175.76 175.82 1x5m s PRO 11 N -2.73 -0.53 -0.47 0.00 0.04 -1.26 -4.89 135.00 125.16 1x5m s PRO 11 Ca 0.07 -0.34 -0.27 0.00 0.04 0.00 0.00 61.00 60.50 1x5m s PRO 11 Cb -0.04 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1x5m s PRO 11 CO 0.02 -3.21 2.08 0.96 0.04 0.00 0.00 177.00 176.89 1x5m s ILE 12 N -3.49 3.22 -0.22 0.56 -4.36 -1.26 -4.92 121.20 110.72 1x5m s ILE 12 Ca 0.74 0.16 0.01 0.00 -0.26 0.00 0.00 60.65 61.31 1x5m s ILE 12 Cb -0.05 -3.45 0.05 0.00 1.25 0.00 0.00 42.46 40.26 1x5m s ILE 12 CO 0.55 -0.39 -0.10 0.42 0.24 0.00 0.00 174.94 175.66 1x5m s THR 13 N 9.64 1.74 0.00 8.37 -4.23 -1.26 -5.07 115.64 124.83 1x5m s THR 13 Ca 0.84 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1x5m s THR 13 Cb -0.19 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1x5m s THR 13 CO 0.27 0.07 0.00 0.35 -0.54 0.00 0.00 174.62 174.77 1x5m n THR 14 N 4.63 0.00 0.00 3.99 -2.24 -1.26 -4.96 114.28 114.44 1x5m n THR 14 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1x5m n THR 14 Cb 0.45 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1x5m n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x5m n GLY 15 N 0.00 2.38 3.19 3.38 0.00 -1.26 -5.10 105.19 107.78 1x5m n GLY 15 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 1x5m n GLY 15 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5m s TYR 16 N 0.00 1.22 0.07 1.61 -0.85 -1.26 -5.16 117.35 112.99 1x5m s TYR 16 Ca 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 57.07 56.11 1x5m s TYR 16 Cb 0.00 -0.67 -0.03 0.00 0.38 0.00 0.00 41.96 41.64 1x5m s TYR 16 CO 0.00 0.07 -0.20 0.99 -1.52 0.00 0.00 175.55 174.89 1x5m s THR 17 N -1.65 1.62 0.49 -3.49 2.01 -1.26 -4.42 115.64 108.95 1x5m s THR 17 Ca 0.01 -1.33 -0.19 0.00 0.31 0.00 0.00 61.69 60.49 1x5m s THR 17 Cb -0.08 -1.44 -0.08 0.00 0.01 0.00 0.00 72.50 70.91 1x5m s THR 17 CO 0.02 0.06 1.02 -0.69 -0.69 0.00 0.00 174.62 174.34 1x5m s VAL 18 N -0.98 3.97 -0.34 3.82 1.01 0.53 -4.76 120.40 123.66 1x5m s VAL 18 Ca 0.06 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.09 1x5m s VAL 18 Cb -0.09 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1x5m s VAL 18 CO 0.03 -0.33 0.20 -0.54 0.00 0.00 0.00 175.10 174.46 1x5m s LYS 19 N -3.41 3.28 -1.11 2.72 1.02 -1.26 0.20 119.74 121.17 1x5m s LYS 19 Ca 0.65 -0.77 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 1x5m s LYS 19 Cb -0.14 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1x5m s LYS 19 CO 0.22 -0.50 1.83 0.42 -0.92 0.00 0.00 175.35 176.40 1x5m s ILE 20 N 1.64 3.69 0.01 2.17 1.01 -0.37 -4.70 121.20 124.65 1x5m s ILE 20 Ca 0.05 -0.95 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1x5m s ILE 20 Cb -0.18 -4.62 -0.22 0.00 0.01 0.00 0.00 42.46 37.45 1x5m s ILE 20 CO 0.08 -1.32 1.12 -1.28 0.00 0.00 0.00 174.94 173.54 1x5m h SER 21 N 9.73 0.52 -3.74 3.58 0.87 -1.95 -3.43 113.55 119.13 1x5m h SER 21 Ca 0.23 -0.74 -0.63 0.00 -1.23 0.00 0.00 61.79 59.42 1x5m h SER 21 Cb 0.95 -0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.61 1x5m h SER 21 CO 1.30 1.18 -0.27 0.21 -0.53 0.00 0.00 176.83 178.73 1x5m s ASN 22 N -6.69 6.23 -0.14 6.23 3.84 -1.26 -5.05 114.94 118.10 1x5m s ASN 22 Ca -0.13 0.24 -0.11 0.00 0.21 0.00 0.00 52.86 53.07 1x5m s ASN 22 Cb 0.04 -2.20 0.04 0.00 -0.55 0.00 0.00 41.25 38.57 1x5m s ASN 22 CO 0.82 -0.17 0.35 -0.72 -2.79 0.00 0.00 177.10 174.58 1x5m s TYR 23 N 2.04 -0.42 -0.17 0.43 -0.85 -1.26 -4.76 117.35 112.36 1x5m s TYR 23 Ca 0.14 0.98 -0.18 0.00 -0.52 0.00 0.00 57.07 57.50 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 0.47 0.20 -1.52 0.00 0.00 175.55 174.59 1x5m s GLY 24 N 0.47 2.18 0.08 5.49 0.00 -0.60 -4.99 107.32 109.95 1x5m s GLY 24 Ca -0.02 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.39 1x5m s GLY 24 CO -0.02 0.90 -0.16 0.66 0.00 0.00 0.00 173.10 174.48 1x5m s TRP 25 N 1.22 1.37 -0.28 1.90 1.48 -1.26 0.24 118.94 123.60 1x5m s TRP 25 Ca 0.23 -0.46 -0.17 0.00 -1.06 0.00 0.00 56.10 54.65 1x5m s TRP 25 Cb -0.15 -0.76 0.10 0.00 -1.16 0.00 0.00 33.47 31.50 1x5m s TRP 25 CO 0.09 0.10 0.78 -0.51 -4.06 0.00 0.00 176.95 173.35 1x5m s ASP 26 N -1.84 -0.80 0.13 -2.66 1.01 -0.65 -4.90 116.67 106.96 1x5m s ASP 26 Ca 0.01 1.29 -0.05 0.00 0.71 0.00 0.00 52.55 54.51 1x5m s ASP 26 Cb -0.10 1.33 -0.02 0.00 1.01 0.00 0.00 42.92 45.14 1x5m s ASP 26 CO 0.03 -0.21 0.15 0.00 0.21 0.00 0.00 175.17 175.35 1x5m s GLN 27 N 1.44 0.98 0.22 8.23 1.03 -1.26 -3.10 119.66 127.21 1x5m s GLN 27 Ca -0.09 -1.27 -0.01 0.00 0.04 0.00 0.00 55.36 54.04 1x5m s GLN 27 Cb -0.05 0.30 -0.04 0.00 0.03 0.00 0.00 33.01 33.26 1x5m s GLN 27 CO -0.17 -0.31 0.18 0.45 -2.54 0.00 0.00 175.29 172.90 1x5m s SER 28 N -2.99 0.36 -1.02 12.60 0.15 -1.04 -4.90 113.70 116.87 1x5m s SER 28 Ca 0.18 -1.42 -0.26 0.00 0.70 0.00 0.00 55.95 55.15 1x5m s SER 28 Cb 0.06 0.42 -0.18 0.00 -1.71 0.00 0.00 66.02 64.60 1x5m s SER 28 CO -0.01 -0.89 2.16 -1.81 1.20 0.00 0.00 173.24 173.88 1x5m s ASP 29 N -3.18 3.77 0.00 5.45 1.11 -1.26 -2.29 116.67 120.27 1x5m s ASP 29 Ca 0.38 -0.78 0.00 0.00 0.18 0.00 0.00 52.55 52.33 1x5m s ASP 29 Cb 0.06 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1x5m s ASP 29 CO 0.14 -4.30 0.00 0.29 1.18 0.00 0.00 175.17 172.48 1x5m n LYS 30 N 8.37 0.00 -3.96 8.23 5.02 -1.26 -4.24 118.16 130.32 1x5m n LYS 30 Ca 0.43 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 1x5m n LYS 30 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.42 1x5m n LYS 30 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1x5m s PHE 31 N 0.00 0.29 -0.07 2.13 0.08 -0.97 -4.25 117.98 115.20 1x5m s PHE 31 Ca 0.00 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.43 1x5m s PHE 31 Cb 0.00 0.21 -0.02 0.00 -0.57 0.00 0.00 43.02 42.64 1x5m s PHE 31 CO 0.00 -0.97 -0.19 0.08 -0.10 0.00 0.00 175.22 174.03 1x5m s VAL 32 N -4.00 2.58 -0.08 -0.44 1.01 0.18 -2.48 120.40 117.16 1x5m s VAL 32 Ca 0.20 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1x5m s VAL 32 Cb -0.01 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1x5m s VAL 32 CO 0.07 0.57 0.24 -0.75 0.00 0.00 0.00 175.10 175.23 1x5m s LYS 33 N -0.29 0.30 0.10 2.72 2.20 -1.18 0.21 119.74 123.80 1x5m s LYS 33 Ca 0.01 0.29 0.10 0.00 -0.36 0.00 0.00 55.97 56.01 1x5m s LYS 33 Cb -0.13 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 1x5m s LYS 33 CO 0.03 -0.04 -0.25 0.42 -0.36 0.00 0.00 175.35 175.14 1x5m s ILE 34 N 0.03 2.35 -0.25 5.43 1.09 -0.93 -1.64 121.20 127.28 1x5m s ILE 34 Ca -0.01 -1.61 -0.01 0.00 -1.10 0.00 0.00 60.65 57.92 1x5m s ILE 34 Cb -0.02 -2.02 0.07 0.00 -1.06 0.00 0.00 42.46 39.44 1x5m s ILE 34 CO 0.00 0.17 0.03 -0.31 -0.10 0.00 0.00 174.94 174.73 1x5m s TYR 35 N -1.01 1.80 0.04 3.97 1.51 0.66 -1.86 117.35 122.45 1x5m s TYR 35 Ca 0.14 -1.51 0.01 0.00 -1.01 0.00 0.00 57.07 54.70 1x5m s TYR 35 Cb -0.10 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 1x5m s TYR 35 CO 0.06 -0.76 0.11 0.42 -1.11 0.00 0.00 175.55 174.27 1x5m s ILE 36 N 1.59 4.81 -0.54 2.71 1.09 -0.99 -1.56 121.20 128.31 1x5m s ILE 36 Ca 0.01 -0.51 -0.19 0.00 -1.10 0.00 0.00 60.65 58.86 1x5m s ILE 36 Cb -0.18 -3.27 0.08 0.00 -1.06 0.00 0.00 42.46 38.03 1x5m s ILE 36 CO -0.12 0.24 0.66 -0.89 -0.10 0.00 0.00 174.94 174.72 1x5m s THR 37 N -1.32 4.85 -0.28 2.92 2.01 -1.26 -1.46 115.64 121.10 1x5m s THR 37 Ca 0.27 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.53 1x5m s THR 37 Cb -0.12 -4.38 0.09 0.00 0.01 0.00 0.00 72.50 68.09 1x5m s THR 37 CO 0.19 -0.95 0.08 -0.22 -0.69 0.00 0.00 174.62 173.04 1x5m s LEU 38 N 2.65 1.71 -0.36 4.42 1.98 -0.61 -4.94 118.68 123.54 1x5m s LEU 38 Ca 0.13 -1.37 -0.29 0.00 -2.89 0.00 0.00 54.13 49.71 1x5m s LEU 38 Cb -0.21 -0.72 0.01 0.00 0.66 0.00 0.00 46.19 45.93 1x5m s LEU 38 CO 0.09 -0.39 1.22 -0.89 -1.89 0.00 0.00 176.35 174.49 1x5m s THR 39 N 1.75 4.22 0.00 3.68 2.01 -1.25 -2.71 115.64 123.34 1x5m s THR 39 Ca 0.07 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1x5m s THR 39 Cb -0.17 -4.33 0.00 0.00 0.01 0.00 0.00 72.50 68.01 1x5m s THR 39 CO -0.22 -0.63 0.00 0.61 -0.69 0.00 0.00 174.62 173.68 1x5m n GLY 40 N 4.41 1.93 0.36 4.40 0.00 -1.26 -4.30 105.19 110.73 1x5m n GLY 40 Ca 0.14 0.00 0.18 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 0.73 -0.06 1.61 3.04 -1.88 1.45 116.25 121.14 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 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 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 -4.31 0.07 -0.03 3.17 1.44 -1.26 -3.14 115.22 111.17 1x5m n HIS 42 Ca 0.07 -0.04 -0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1x5m n HIS 42 Cb 0.50 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.54 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 -0.41 1.57 -2.88 -1.40 6.02 0.49 -5.01 117.38 115.76 1x5m n GLN 43 Ca 0.15 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 1x5m n GLN 43 Cb 0.15 -1.23 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.41 4.62 1.01 5.09 -7.23 -0.49 -5.07 120.40 115.92 1x5m s VAL 44 Ca -0.04 1.03 -0.15 0.00 -1.81 0.00 0.00 61.98 61.01 1x5m s VAL 44 Cb 0.04 -3.65 0.20 0.00 0.56 0.00 0.00 36.38 33.52 1x5m s VAL 44 CO 0.38 -0.38 1.18 -2.16 -0.31 0.00 0.00 175.10 173.81 1x5m s PRO 45 N -3.41 0.33 0.00 4.82 0.04 -1.26 -4.93 135.00 130.59 1x5m s PRO 45 Ca 0.56 -0.01 0.26 0.00 0.04 0.00 0.00 61.00 61.84 1x5m s PRO 45 Cb -0.10 -1.77 1.39 0.00 0.04 0.00 0.00 34.50 34.06 1x5m s PRO 45 CO 0.22 -2.69 1.88 -2.37 0.04 0.00 0.00 177.00 174.09 1x5m n THR 46 N -4.05 0.12 0.14 1.26 5.66 -1.26 -2.56 114.28 113.59 1x5m n THR 46 Ca 0.11 0.03 0.05 0.00 -3.05 0.00 0.00 64.05 61.19 1x5m n THR 46 Cb 0.59 -0.61 0.04 0.00 -1.55 0.00 0.00 70.33 68.80 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 -3.18 114.58 114.60 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 0.28 -0.73 0.09 0.07 0.00 0.00 179.01 178.72 1x5m n ASN 48 N -3.07 0.64 -4.29 3.06 3.02 -1.06 -4.74 115.26 108.83 1x5m n ASN 48 Ca 0.00 -0.39 -0.38 0.00 -0.03 0.00 0.00 54.58 53.79 1x5m n ASN 48 Cb 0.68 0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 40.26 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 -3.05 3.83 -0.28 2.41 1.01 -1.20 -0.34 120.40 122.77 1x5m s VAL 49 Ca 0.08 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1x5m s VAL 49 Cb 0.16 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.50 1x5m s VAL 49 CO 0.76 -0.12 -0.04 -1.58 0.00 0.00 0.00 175.10 174.12 1x5m s GLN 50 N 1.43 1.82 -0.06 2.72 2.00 -0.61 -4.85 119.66 122.11 1x5m s GLN 50 Ca -0.01 -1.40 0.04 0.00 -2.00 0.00 0.00 55.36 52.00 1x5m s GLN 50 Cb -0.19 -2.86 -0.00 0.00 0.80 0.00 0.00 33.01 30.76 1x5m s GLN 50 CO 0.03 -0.70 -0.18 0.54 -0.50 0.00 0.00 175.29 174.48 1x5m s VAL 51 N 1.14 1.55 -0.09 1.34 0.11 -1.26 0.28 120.40 123.47 1x5m s VAL 51 Ca -0.02 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.29 1x5m s VAL 51 Cb -0.19 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1x5m s VAL 51 CO -0.07 0.44 -0.17 -2.28 -3.33 0.00 0.00 175.10 169.70 1x5m s HIS 52 N 0.19 1.93 0.04 1.54 5.04 0.25 -4.95 115.29 119.35 1x5m s HIS 52 Ca -0.09 -0.80 -0.04 0.00 -1.54 0.00 0.00 55.06 52.60 1x5m s HIS 52 Cb -0.14 -1.36 -0.05 0.00 0.04 0.00 0.00 32.58 31.08 1x5m s HIS 52 CO 0.04 -0.37 0.25 -0.06 -2.34 0.00 0.00 174.74 172.26 1x5m s PHE 53 N 0.64 3.54 0.00 3.88 0.08 -1.26 -0.31 117.98 124.54 1x5m s PHE 53 Ca -0.14 0.43 0.00 0.00 0.12 0.00 0.00 56.93 57.34 1x5m s PHE 53 Cb -0.16 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1x5m s PHE 53 CO 0.04 0.58 0.00 0.25 -0.10 0.00 0.00 175.22 175.99 1x5m n THR 54 N 0.67 0.00 0.03 0.64 -2.24 -0.24 -4.88 114.28 108.26 1x5m n THR 54 Ca -0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1x5m n THR 54 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 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 0.64 -1.30 -0.78 4.11 -1.99 -3.36 114.58 111.90 1x5m h GLU 55 Ca 0.00 -0.68 -0.39 0.00 0.07 0.00 0.00 59.36 58.35 1x5m h GLU 55 Cb 0.00 0.19 -0.38 0.00 0.50 0.00 0.00 28.75 29.06 1x5m h GLU 55 CO 0.00 1.28 -1.13 0.54 0.07 0.00 0.00 179.01 179.76 1x5m n ARG 56 N -3.94 1.07 0.00 1.06 5.12 -1.26 0.13 116.66 118.84 1x5m n ARG 56 Ca -0.11 -3.19 0.00 0.00 -1.93 0.00 0.00 57.85 52.62 1x5m n ARG 56 Cb 0.83 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 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 0.06 0.00 -3.57 0.55 3.41 -1.26 -2.54 113.62 110.26 1x5m n SER 57 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1x5m n SER 57 Cb 0.76 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.47 0.14 7.33 -0.12 -0.60 -1.08 117.98 121.18 1x5m s PHE 58 Ca 0.00 0.90 0.04 0.00 -0.05 0.00 0.00 56.93 57.83 1x5m s PHE 58 Cb 0.00 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1x5m s PHE 58 CO 0.00 -0.23 0.13 0.16 -0.05 0.00 0.00 175.22 175.22 1x5m s ASP 59 N 1.54 5.57 -0.18 1.98 -4.77 0.57 -0.77 116.67 120.61 1x5m s ASP 59 Ca -0.07 -0.08 -0.04 0.00 -3.30 0.00 0.00 52.55 49.06 1x5m s ASP 59 Cb -0.04 -1.48 0.09 0.00 -1.09 0.00 0.00 42.92 40.40 1x5m s ASP 59 CO -0.14 0.10 0.26 -0.22 0.70 0.00 0.00 175.17 175.87 1x5m s LEU 60 N -2.91 -0.27 0.03 2.11 0.20 0.48 -0.58 118.68 117.75 1x5m s LEU 60 Ca 0.31 0.19 -0.01 0.00 0.69 0.00 0.00 54.13 55.31 1x5m s LEU 60 Cb -0.11 0.63 -0.04 0.00 -0.43 0.00 0.00 46.19 46.24 1x5m s LEU 60 CO 0.23 -0.29 0.19 -0.22 -0.29 0.00 0.00 176.35 175.98 1x5m s LEU 61 N 2.40 4.34 -0.28 -0.68 0.20 0.79 -0.02 118.68 125.43 1x5m s LEU 61 Ca 0.05 0.29 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 1x5m s LEU 61 Cb -0.14 -2.80 0.13 0.00 -0.43 0.00 0.00 46.19 42.95 1x5m s LEU 61 CO -0.11 0.21 0.29 -0.69 -0.29 0.00 0.00 176.35 175.76 1x5m s VAL 62 N -1.43 -0.41 0.31 1.68 1.01 0.81 -1.57 120.40 120.80 1x5m s VAL 62 Ca 0.32 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1x5m s VAL 62 Cb -0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1x5m s VAL 62 CO 0.24 -0.41 0.28 -0.54 0.00 0.00 0.00 175.10 174.68 1x5m s LYS 63 N 2.37 2.82 -0.00 2.72 1.02 0.53 0.19 119.74 129.40 1x5m s LYS 63 Ca 0.09 -1.20 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 1x5m s LYS 63 Cb -0.14 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1x5m s LYS 63 CO -0.29 0.18 0.00 -1.71 -0.92 0.00 0.00 175.35 172.61 1x5m n ASN 64 N -1.35 -6.66 0.00 2.83 2.85 -1.24 -4.80 115.26 106.89 1x5m n ASN 64 Ca -0.03 0.46 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 1x5m n ASN 64 Cb 0.59 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 40.00 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 1.39 0.00 -4.05 1.20 7.94 0.64 -4.79 117.00 119.34 1x5m n LEU 65 Ca -0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1x5m n LEU 65 Cb 0.45 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.40 1x5m n LEU 65 CO 0.00 0.00 2.35 -3.20 -1.11 0.00 0.00 177.39 175.44 1x5m n ASN 66 N 0.00 4.09 -1.35 1.96 2.85 -1.26 -4.10 115.26 117.45 1x5m n ASN 66 Ca 0.00 -2.85 -0.18 0.00 -0.11 0.00 0.00 54.58 51.45 1x5m n ASN 66 Cb 0.00 -1.65 -0.08 0.00 1.24 0.00 0.00 39.78 39.29 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 4.65 1.73 1.22 8.20 0.00 -1.26 -4.88 105.19 114.86 1x5m n GLY 67 Ca 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1x5m n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x5m n LYS 68 N -2.49 0.23 -4.32 1.61 2.85 -1.26 -5.12 118.16 109.66 1x5m n LYS 68 Ca -0.18 -0.51 -0.21 0.00 -1.05 0.00 0.00 58.31 56.36 1x5m n LYS 68 Cb 0.58 0.68 -0.11 0.00 -0.65 0.00 0.00 35.03 35.53 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 -1.76 2.60 0.08 -5.58 0.01 -1.26 0.24 113.70 108.02 1x5m s SER 69 Ca 0.07 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.50 1x5m s SER 69 Cb -0.01 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 1x5m s SER 69 CO 0.02 -0.06 -0.12 -0.31 0.41 0.00 0.00 173.24 173.17 1x5m s TYR 70 N -2.17 1.13 -0.00 2.43 1.51 0.52 0.20 117.35 120.96 1x5m s TYR 70 Ca 0.16 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1x5m s TYR 70 Cb -0.05 -0.63 -0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1x5m s TYR 70 CO 0.06 0.04 -0.03 -1.54 -1.11 0.00 0.00 175.55 172.97 1x5m s SER 71 N -1.93 0.33 -0.15 2.29 1.04 0.52 -0.13 113.70 115.67 1x5m s SER 71 Ca -0.01 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 1x5m s SER 71 Cb -0.08 -0.04 0.07 0.00 0.10 0.00 0.00 66.02 66.07 1x5m s SER 71 CO 0.02 0.03 0.28 -0.32 0.98 0.00 0.00 173.24 174.23 1x5m s MET 72 N -0.05 0.18 0.02 4.02 0.00 0.97 -1.24 119.30 123.21 1x5m s MET 72 Ca 0.01 0.72 0.02 0.00 0.00 0.00 0.00 55.69 56.44 1x5m s MET 72 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 34.83 34.68 1x5m s MET 72 CO -0.00 -0.34 -0.07 0.42 0.00 0.00 0.00 175.02 175.03 1x5m s ILE 73 N 2.44 0.51 -0.11 10.11 1.01 -1.26 0.18 121.20 134.08 1x5m s ILE 73 Ca 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1x5m s ILE 73 Cb -0.13 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.85 1x5m s ILE 73 CO -0.10 -0.16 -0.10 0.68 0.00 0.00 0.00 174.94 175.26 1x5m s VAL 74 N -0.84 1.19 -0.11 2.92 -7.23 0.05 -4.99 120.40 111.39 1x5m s VAL 74 Ca -0.05 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 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 -0.23 0.20 -0.31 0.00 0.00 175.10 175.15 1x5m s ASN 75 N 1.41 3.17 0.00 4.85 0.01 -1.26 -1.56 114.94 121.56 1x5m s ASN 75 Ca 0.00 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 1x5m s ASN 75 Cb -0.13 -1.43 0.00 0.00 0.41 0.00 0.00 41.25 40.10 1x5m s ASN 75 CO -0.06 0.15 0.00 0.59 -1.51 0.00 0.00 177.10 176.27 1x5m n ASN 76 N 3.59 -1.68 -4.76 -1.22 3.02 -1.13 -4.81 115.26 108.28 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 0.53 -0.84 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 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 -0.11 4.26 0.29 3.41 1.43 -1.05 -2.09 118.68 124.82 1x5m s LEU 77 Ca 0.00 0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1x5m s LEU 77 Cb 0.00 -2.19 0.68 0.00 0.03 0.00 0.00 46.19 44.72 1x5m s LEU 77 CO 0.00 0.20 1.45 -0.11 0.23 0.00 0.00 176.35 178.12 1x5m n LEU 78 N 3.21 -0.13 -4.31 1.79 7.94 -1.20 -4.44 117.00 119.86 1x5m n LEU 78 Ca -0.15 1.58 -0.17 0.00 -1.11 0.00 0.00 56.01 56.16 1x5m n LEU 78 Cb 0.52 -0.57 -0.10 0.00 0.53 0.00 0.00 43.42 43.81 1x5m n LEU 78 CO 0.37 -1.59 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.09 1x5m s LYS 79 N -5.93 1.22 0.82 1.96 -0.14 -1.26 -4.90 119.74 111.50 1x5m s LYS 79 Ca -0.12 -1.54 -0.12 0.00 -1.36 0.00 0.00 55.97 52.84 1x5m s LYS 79 Cb 0.27 -0.90 0.08 0.00 -1.68 0.00 0.00 37.83 35.60 1x5m s LYS 79 CO 0.72 0.13 1.10 -1.25 -0.76 0.00 0.00 175.35 175.30 1x5m s PRO 80 N -3.69 1.91 -0.00 -1.68 0.04 -1.26 -4.80 135.00 125.51 1x5m s PRO 80 Ca 0.20 0.58 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 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 0.04 -1.73 0.01 0.96 0.04 0.00 0.00 177.00 176.33 1x5m s ILE 81 N -3.18 0.03 -0.74 0.56 -4.36 0.36 -3.15 121.20 110.73 1x5m s ILE 81 Ca 0.61 -0.27 -0.27 0.00 -0.26 0.00 0.00 60.65 60.47 1x5m s ILE 81 Cb -0.14 -0.11 0.02 0.00 1.25 0.00 0.00 42.46 43.47 1x5m s ILE 81 CO 0.54 -0.15 1.44 -0.44 0.24 0.00 0.00 174.94 176.58 1x5m s SER 82 N -0.43 5.95 0.22 4.36 0.01 -0.66 -4.26 113.70 118.89 1x5m s SER 82 Ca -0.05 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 56.68 1x5m s SER 82 Cb -0.03 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.84 1x5m s SER 82 CO -0.00 -1.96 1.56 0.58 0.41 0.00 0.00 173.24 173.83 1x5m h VAL 83 N 6.31 0.05 -0.95 3.43 2.07 -1.88 0.78 116.25 126.06 1x5m h VAL 83 Ca -0.23 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.46 1x5m h VAL 83 Cb 1.07 0.05 -0.17 0.00 -1.52 0.00 0.00 31.29 30.73 1x5m h VAL 83 CO 1.28 0.00 -0.31 -0.62 0.02 0.00 0.00 177.57 177.93 1x5m n GLU 84 N -5.46 -0.16 0.08 1.57 1.02 -1.26 0.12 120.64 116.56 1x5m n GLU 84 Ca 0.08 1.48 -0.08 0.00 -0.02 0.00 0.00 57.16 58.61 1x5m n GLU 84 Cb 0.38 -2.20 0.01 0.00 -0.02 0.00 0.00 31.44 29.62 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 -6.86 0.62 0.00 -0.54 -3.44 103.07 93.10 1x5m h GLY 85 Ca 0.39 -0.42 -0.70 0.00 0.00 0.00 0.00 47.33 46.60 1x5m h GLY 85 CO -0.96 0.37 1.31 1.44 0.00 0.00 0.00 176.54 178.69 1x5m n SER 86 N -3.71 1.95 -4.41 0.19 7.64 0.34 -4.37 113.62 111.25 1x5m n SER 86 Ca -0.04 0.59 -0.21 0.00 1.01 0.00 0.00 58.87 60.21 1x5m n SER 86 Cb 0.77 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 1x5m n SER 86 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5m s SER 87 N 6.37 2.31 0.00 6.43 1.04 0.29 -4.89 113.70 125.25 1x5m s SER 87 Ca 1.09 -1.41 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1x5m s SER 87 Cb -1.01 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.10 1x5m s SER 87 CO 0.55 -0.65 -0.13 -0.75 0.98 0.00 0.00 173.24 173.24 1x5m s LYS 88 N -3.89 0.99 0.20 4.02 2.36 -1.26 0.79 119.74 122.94 1x5m s LYS 88 Ca 0.35 -0.51 0.02 0.00 -2.55 0.00 0.00 55.97 53.28 1x5m s LYS 88 Cb 0.08 -0.96 -0.05 0.00 -1.05 0.00 0.00 37.83 35.85 1x5m s LYS 88 CO 0.15 0.26 0.01 0.15 1.55 0.00 0.00 175.35 177.47 1x5m s LYS 89 N -0.49 1.20 -0.06 4.03 1.02 0.34 -4.89 119.74 120.90 1x5m s LYS 89 Ca 0.04 -1.59 -0.00 0.00 0.02 0.00 0.00 55.97 54.43 1x5m s LYS 89 Cb -0.05 -0.36 0.03 0.00 -0.52 0.00 0.00 37.83 36.93 1x5m s LYS 89 CO -0.00 -0.14 -0.01 0.08 -0.92 0.00 0.00 175.35 174.36 1x5m s VAL 90 N -3.61 0.42 0.38 3.17 1.01 -1.26 0.24 120.40 120.76 1x5m s VAL 90 Ca 0.26 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1x5m s VAL 90 Cb 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1x5m s VAL 90 CO 0.06 0.24 0.14 -1.59 0.00 0.00 0.00 175.10 173.95 1x5m s LYS 91 N 1.56 2.22 -0.38 2.72 -2.85 0.56 -4.86 119.74 118.71 1x5m s LYS 91 Ca -0.01 -1.77 -0.41 0.00 -1.00 0.00 0.00 55.97 52.77 1x5m s LYS 91 Cb -0.13 -2.00 -0.16 0.00 -2.06 0.00 0.00 37.83 33.47 1x5m s LYS 91 CO -0.03 -0.02 1.88 2.41 0.10 0.00 0.00 175.35 179.68 1x5m n THR 92 N -1.16 0.16 -4.19 3.79 -1.04 -1.26 0.11 114.28 110.68 1x5m n THR 92 Ca -0.02 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.56 1x5m n THR 92 Cb 0.64 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.09 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 6.37 -3.04 -3.57 8.00 5.68 -1.26 -4.89 116.55 123.85 1x5m n ASP 93 Ca 0.36 -0.98 -0.17 0.00 -0.50 0.00 0.00 54.79 53.50 1x5m n ASP 93 Cb 0.08 -2.51 -0.07 0.00 -1.14 0.00 0.00 41.12 37.48 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 -3.22 0.00 -0.18 2.12 2.01 0.30 -1.57 115.64 115.10 1x5m s THR 94 Ca 0.73 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1x5m s THR 94 Cb -0.40 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1x5m s THR 94 CO 0.90 -0.02 -0.18 0.54 -0.69 0.00 0.00 174.62 175.17 1x5m s VAL 95 N -0.87 2.24 0.05 3.82 0.11 -0.54 0.21 120.40 125.42 1x5m s VAL 95 Ca -0.09 -0.88 -0.13 0.00 -2.93 0.00 0.00 61.98 57.95 1x5m s VAL 95 Cb -0.01 -1.95 -0.06 0.00 -1.53 0.00 0.00 36.38 32.83 1x5m s VAL 95 CO 0.08 0.52 0.43 -0.76 -3.33 0.00 0.00 175.10 172.04 1x5m s LEU 96 N 1.29 4.41 -0.41 2.54 1.43 0.67 -2.34 118.68 126.28 1x5m s LEU 96 Ca 0.05 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1x5m s LEU 96 Cb -0.13 -2.82 0.13 0.00 0.03 0.00 0.00 46.19 43.40 1x5m s LEU 96 CO -0.11 0.24 0.22 -0.63 0.23 0.00 0.00 176.35 176.30 1x5m s ILE 97 N -1.24 1.07 -0.08 -0.59 -1.09 -0.78 0.13 121.20 118.61 1x5m s ILE 97 Ca 0.29 -2.25 -0.30 0.00 -2.23 0.00 0.00 60.65 56.16 1x5m s ILE 97 Cb -0.16 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.94 1x5m s ILE 97 CO 0.16 -0.89 1.23 -0.76 -1.23 0.00 0.00 174.94 173.45 1x5m s LEU 98 N 0.64 4.25 -0.24 2.97 1.43 0.24 -2.18 118.68 125.78 1x5m s LEU 98 Ca 0.17 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 1x5m s LEU 98 Cb -0.24 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1x5m s LEU 98 CO -0.02 -0.65 -0.12 0.00 0.23 0.00 0.00 176.35 175.80 1x5m n ARG 100 N 4.49 1.45 -3.61 0.00 3.00 -1.26 -0.65 116.66 120.08 1x5m n ARG 100 Ca -0.15 0.54 -0.36 0.00 -0.00 0.00 0.00 57.85 57.88 1x5m n ARG 100 Cb 0.43 -2.39 -0.08 0.00 0.00 0.00 0.00 32.46 30.42 1x5m n ARG 100 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1x5m s LYS 101 N -2.71 4.16 0.32 -0.14 1.02 -1.26 -1.66 119.74 119.47 1x5m s LYS 101 Ca 0.71 -0.11 0.06 0.00 0.02 0.00 0.00 55.97 56.65 1x5m s LYS 101 Cb -0.44 -3.48 0.55 0.00 -0.52 0.00 0.00 37.83 33.94 1x5m s LYS 101 CO 0.50 0.15 1.78 -0.22 -0.92 0.00 0.00 175.35 176.64 1x5m h LYS 102 N 7.08 0.32 -2.36 1.68 3.64 -1.86 -3.41 116.57 121.66 1x5m h LYS 102 Ca -0.39 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 58.78 1x5m h LYS 102 Cb 1.16 -0.02 -0.28 0.00 -0.41 0.00 0.00 32.23 32.68 1x5m h LYS 102 CO 0.72 0.56 -0.38 0.54 -2.27 0.00 0.00 179.45 178.61 1x5m s VAL 103 N -4.45 -0.66 1.36 2.00 0.11 -1.26 -4.99 120.40 112.51 1x5m s VAL 103 Ca -0.06 0.12 -0.23 0.00 -2.93 0.00 0.00 61.98 58.88 1x5m s VAL 103 Cb 0.14 -0.71 0.35 0.00 -1.53 0.00 0.00 36.38 34.63 1x5m s VAL 103 CO 0.76 0.03 1.00 -0.62 -3.33 0.00 0.00 175.10 172.94 1x5m n GLU 104 N 5.39 -4.04 -3.73 1.54 4.71 -1.26 -4.00 120.64 119.25 1x5m n GLU 104 Ca -0.07 -1.63 -0.27 0.00 -0.01 0.00 0.00 57.16 55.18 1x5m n GLU 104 Cb 0.50 -1.78 0.06 0.00 -1.01 0.00 0.00 31.44 29.20 1x5m n GLU 104 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1x5m n ASN 105 N -5.37 -5.79 -3.70 1.62 2.85 -1.26 -4.91 115.26 98.70 1x5m n ASN 105 Ca 0.15 -0.64 -0.30 0.00 -0.11 0.00 0.00 54.58 53.69 1x5m n ASN 105 Cb 0.60 -4.57 -0.15 0.00 1.24 0.00 0.00 39.78 36.90 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 -3.31 0.69 0.61 -0.44 2.01 -1.26 -5.04 115.64 108.91 1x5m s THR 106 Ca 0.62 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 1x5m s THR 106 Cb -0.29 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1x5m s THR 106 CO 0.77 -0.66 1.17 -0.60 -0.69 0.00 0.00 174.62 174.61 1x5m s ARG 107 N 1.72 2.92 -0.41 4.92 3.52 -1.26 -4.68 118.95 125.68 1x5m s ARG 107 Ca 0.09 1.68 0.01 0.00 -0.13 0.00 0.00 55.73 57.38 1x5m s ARG 107 Cb -0.17 -1.94 0.11 0.00 -1.56 0.00 0.00 34.95 31.39 1x5m s ARG 107 CO -0.27 -1.21 0.16 -1.58 -0.81 0.00 0.00 175.30 171.60 1x5m s TRP 108 N -1.83 3.60 -0.82 5.12 0.52 -1.26 -4.92 118.94 119.35 1x5m s TRP 108 Ca 0.74 -2.83 0.16 0.00 0.02 0.00 0.00 56.10 54.19 1x5m s TRP 108 Cb -0.27 -3.03 0.68 0.00 -1.15 0.00 0.00 33.47 29.70 1x5m s TRP 108 CO 0.35 -0.92 1.49 -0.25 0.02 0.00 0.00 176.95 177.64 1x5m n ASP 109 N 4.12 0.21 -3.51 2.95 8.00 -1.26 -4.73 116.55 122.32 1x5m n ASP 109 Ca 0.03 0.56 -0.15 0.00 0.71 0.00 0.00 54.79 55.93 1x5m n ASP 109 Cb 0.40 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 40.85 1x5m n ASP 109 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1x5m s TYR 110 N -3.11 -0.56 0.27 1.24 2.02 -1.26 -4.94 117.35 111.00 1x5m s TYR 110 Ca 0.05 0.84 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 1x5m s TYR 110 Cb 0.08 0.45 0.36 0.00 -0.40 0.00 0.00 41.96 42.46 1x5m s TYR 110 CO 0.27 -0.59 1.70 1.25 -1.57 0.00 0.00 175.55 176.60 1x5m h LEU 111 N 2.68 0.54 -8.18 -1.29 6.46 -1.95 -3.38 115.31 110.19 1x5m h LEU 111 Ca -0.26 -0.19 -0.19 0.00 -0.12 0.00 0.00 57.88 57.12 1x5m h LEU 111 Cb 1.18 -0.15 -0.18 0.00 -0.73 0.00 0.00 40.66 40.78 1x5m h LEU 111 CO 0.37 0.78 -0.70 0.42 -0.62 0.00 0.00 178.44 178.69 1x5m s THR 112 N -4.50 0.34 0.22 1.05 -4.23 -1.26 -3.27 115.64 104.00 1x5m s THR 112 Ca -0.07 -1.38 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1x5m s THR 112 Cb 0.14 -0.94 0.18 0.00 1.34 0.00 0.00 72.50 73.21 1x5m s THR 112 CO 0.80 -0.68 1.85 1.56 -0.54 0.00 0.00 174.62 177.61 1x5m h GLN 113 N 3.90 0.88 -0.75 3.99 4.20 -1.68 -2.80 115.11 122.85 1x5m h GLN 113 Ca -0.34 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.39 1x5m h GLN 113 Cb 1.18 -0.20 -0.09 0.00 0.30 0.00 0.00 27.48 28.67 1x5m h GLN 113 CO 0.52 0.58 -0.45 1.55 -0.67 0.00 0.00 178.83 180.37 1x5m n VAL 114 N -4.65 -0.51 -0.16 -0.54 3.14 -1.26 0.32 118.33 114.67 1x5m n VAL 114 Ca 0.10 2.09 -0.05 0.00 -2.96 0.00 0.00 64.34 63.51 1x5m n VAL 114 Cb 0.12 -2.61 0.01 0.00 -1.06 0.00 0.00 33.84 30.31 1x5m n VAL 114 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1x5m h GLU 115 N 0.00 -0.16 0.03 1.45 4.57 -1.88 0.40 114.58 118.99 1x5m h GLU 115 Ca 0.12 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1x5m h GLU 115 Cb 0.31 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1x5m h GLU 115 CO -0.71 -0.11 -0.12 -0.22 -1.18 0.00 0.00 179.01 176.67 1x5m h LYS 116 N -0.16 -0.17 -1.21 1.92 3.64 -0.08 1.45 116.57 121.96 1x5m h LYS 116 Ca 0.22 0.01 0.37 0.00 -1.27 0.00 0.00 60.65 59.98 1x5m h LYS 116 Cb 0.52 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 1x5m h LYS 116 CO -0.59 -0.11 0.78 0.93 -2.27 0.00 0.00 179.45 178.18 1x5m h GLU 117 N -0.18 0.19 0.09 1.90 4.39 0.21 0.60 114.58 121.79 1x5m h GLU 117 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1x5m h GLU 117 Cb 0.18 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1x5m h GLU 117 CO -0.06 0.13 -0.04 0.00 -1.16 0.00 0.00 179.01 177.87 1x5m h LYS 119 N -0.21 -0.02 0.00 0.00 6.56 0.33 -3.41 116.57 119.82 1x5m h LYS 119 Ca -0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 1x5m h LYS 119 Cb 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.75 1x5m h LYS 119 CO 0.02 -0.01 0.00 0.39 -2.06 0.00 0.00 179.45 177.79 1x5m n GLU 120 N -5.49 0.75 -1.71 3.15 -0.58 0.20 -5.01 120.64 111.95 1x5m n GLU 120 Ca 0.10 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.41 1x5m n GLU 120 Cb 0.41 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.26 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 -0.89 2.32 -3.88 3.49 4.81 -1.25 -4.72 118.16 118.04 1x5m n LYS 121 Ca 0.00 0.82 -0.37 0.00 -0.87 0.00 0.00 58.31 57.90 1x5m n LYS 121 Cb 0.00 -2.51 -0.06 0.00 0.02 0.00 0.00 35.03 32.48 1x5m n LYS 121 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x5m s SER 122 N 0.20 6.34 0.00 3.14 0.01 -1.13 -4.65 113.70 117.61 1x5m s SER 122 Ca 0.63 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.33 1x5m s SER 122 Cb -0.57 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1x5m s SER 122 CO 0.53 0.38 0.00 0.61 0.41 0.00 0.00 173.24 175.17 1x5m n GLY 123 N 2.15 2.71 3.62 3.44 0.00 -1.26 -5.04 105.19 110.81 1x5m n GLY 123 Ca -0.20 -0.44 -0.43 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 -1.17 3.80 -0.56 1.61 0.04 -1.26 -3.89 135.00 133.57 1x5m s PRO 124 Ca 0.00 1.19 -0.05 0.00 0.04 0.00 0.00 61.00 62.18 1x5m s PRO 124 Cb 0.00 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1x5m s PRO 124 CO 0.00 -1.28 0.59 0.45 0.04 0.00 0.00 177.00 176.80 1x5m n SER 125 N 8.08 -7.19 -4.63 6.66 2.88 -1.26 -4.91 113.62 113.25 1x5m n SER 125 Ca 0.16 0.12 -0.43 0.00 -1.33 0.00 0.00 58.87 57.39 1x5m n SER 125 Cb 0.47 -4.85 -0.02 0.00 -0.75 0.00 0.00 64.21 59.06 1x5m n SER 125 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5m s SER 126 N -2.73 6.76 0.00 -3.46 0.15 -1.25 -5.29 113.70 107.88 1x5m s SER 126 Ca 0.08 1.10 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1x5m s SER 126 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x5m s SER 126 CO 0.67 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.69