#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 -1.14 0.00 1.61 0.01 -1.26 -5.16 113.70 107.76 1x5m s SER 2 Ca 0.00 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1x5m s SER 2 Cb 0.00 1.65 0.00 0.00 0.21 0.00 0.00 66.02 67.88 1x5m s SER 2 CO 0.00 -0.19 0.00 -1.20 0.41 0.00 0.00 173.24 172.26 1x5m n SER 3 N 5.01 0.00 0.00 2.44 7.64 -1.26 -5.18 113.62 122.27 1x5m n SER 3 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1x5m n SER 3 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1x5m n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5m n GLY 4 N -0.14 4.33 0.00 0.23 0.00 -1.26 -5.15 105.19 103.21 1x5m n GLY 4 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -3.57 1.61 7.64 -1.26 -5.18 113.62 112.87 1x5m n SER 5 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1x5m n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.00 -0.27 0.00 6.43 1.04 -1.26 -5.15 113.70 114.49 1x5m s SER 6 Ca 0.00 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1x5m s SER 6 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1x5m s SER 6 CO 0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1x5m n GLY 7 N 0.22 0.36 3.00 7.32 0.00 -1.26 -5.17 105.19 109.66 1x5m n GLY 7 Ca -0.06 0.60 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 1x5m n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5m s VAL 8 N 0.00 0.91 -0.02 1.61 1.01 -1.26 -5.14 120.40 117.51 1x5m s VAL 8 Ca 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1x5m s VAL 8 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1x5m s VAL 8 CO 0.00 0.29 -0.14 0.54 0.00 0.00 0.00 175.10 175.80 1x5m s VAL 9 N 0.48 1.13 -0.31 2.92 0.11 -1.26 -5.11 120.40 118.36 1x5m s VAL 9 Ca -0.09 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1x5m s VAL 9 Cb -0.12 -0.96 0.10 0.00 -1.53 0.00 0.00 36.38 33.86 1x5m s VAL 9 CO 0.02 0.33 0.09 0.00 -3.33 0.00 0.00 175.10 172.21 1x5m s ALA 10 N -0.10 1.60 1.05 1.54 0.00 -1.26 -5.13 121.76 119.46 1x5m s ALA 10 Ca 0.01 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 1x5m s ALA 10 Cb -0.08 -1.64 0.22 0.00 0.00 0.00 0.00 23.12 21.63 1x5m s ALA 10 CO 0.00 -1.66 1.20 -1.25 0.00 0.00 0.00 175.76 174.05 1x5m s PRO 11 N 1.58 0.01 -0.03 0.00 0.04 -1.26 -4.94 135.00 130.40 1x5m s PRO 11 Ca 0.10 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.70 1x5m s PRO 11 Cb -0.17 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1x5m s PRO 11 CO -0.24 -2.88 1.76 0.96 0.04 0.00 0.00 177.00 176.64 1x5m s ILE 12 N -3.42 3.40 -0.18 0.56 -5.25 -1.26 -4.97 121.20 110.07 1x5m s ILE 12 Ca 0.71 0.48 0.01 0.00 -0.99 0.00 0.00 60.65 60.86 1x5m s ILE 12 Cb -0.08 -3.32 0.02 0.00 2.95 0.00 0.00 42.46 42.03 1x5m s ILE 12 CO 0.54 -0.05 -0.19 0.42 -1.79 0.00 0.00 174.94 173.87 1x5m s THR 13 N 4.29 2.05 -1.48 8.37 -4.23 -1.26 -4.63 115.64 118.76 1x5m s THR 13 Ca 0.79 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1x5m s THR 13 Cb -0.36 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.62 1x5m s THR 13 CO 0.33 0.52 0.00 0.35 -0.54 0.00 0.00 174.62 175.28 1x5m n THR 14 N 4.62 0.00 -3.75 3.99 -2.24 -1.26 -4.92 114.28 110.72 1x5m n THR 14 Ca -0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1x5m n THR 14 Cb 0.50 -1.48 -0.13 0.00 -2.10 0.00 0.00 70.33 67.12 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 -2.30 1.77 0.15 3.38 0.00 -1.26 -5.09 107.32 103.97 1x5m s GLY 15 Ca 0.00 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 43.51 1x5m s GLY 15 CO 0.00 0.58 -0.13 -2.52 0.00 0.00 0.00 173.10 171.03 1x5m s TYR 16 N 1.57 1.45 0.33 1.90 -0.85 -1.26 -4.98 117.35 115.51 1x5m s TYR 16 Ca 0.05 -0.61 -0.20 0.00 -0.52 0.00 0.00 57.07 55.79 1x5m s TYR 16 Cb -0.16 -0.73 -0.10 0.00 0.38 0.00 0.00 41.96 41.36 1x5m s TYR 16 CO 0.03 0.18 0.84 0.99 -1.52 0.00 0.00 175.55 176.08 1x5m s THR 17 N -2.63 4.47 0.50 -3.49 2.01 -1.26 -4.62 115.64 110.61 1x5m s THR 17 Ca 0.14 1.37 -0.19 0.00 0.31 0.00 0.00 61.69 63.32 1x5m s THR 17 Cb -0.02 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1x5m s THR 17 CO 0.03 -0.07 1.02 -0.69 -0.69 0.00 0.00 174.62 174.22 1x5m s VAL 18 N -1.87 3.98 -0.32 3.82 1.01 0.48 -4.77 120.40 122.73 1x5m s VAL 18 Ca 0.53 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.57 1x5m s VAL 18 Cb -0.13 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1x5m s VAL 18 CO 0.18 -0.34 0.16 -0.54 0.00 0.00 0.00 175.10 174.56 1x5m s LYS 19 N -3.44 3.30 -0.40 2.72 1.02 -1.26 0.19 119.74 121.88 1x5m s LYS 19 Ca 0.65 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 1x5m s LYS 19 Cb -0.14 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1x5m s LYS 19 CO 0.22 -0.44 1.55 0.42 -0.92 0.00 0.00 175.35 176.18 1x5m s ILE 20 N 1.62 3.74 -0.07 2.17 1.01 -0.45 -4.86 121.20 124.36 1x5m s ILE 20 Ca 0.04 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.39 1x5m s ILE 20 Cb -0.17 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 1x5m s ILE 20 CO 0.07 -0.67 -0.09 -1.20 0.00 0.00 0.00 174.94 173.04 1x5m n SER 21 N 9.43 0.84 -4.66 3.58 7.64 -1.26 -4.86 113.62 124.33 1x5m n SER 21 Ca 0.18 0.39 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 1x5m n SER 21 Cb 0.48 -0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 62.99 1x5m n SER 21 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x5m s ASN 22 N -4.58 7.05 -0.12 6.43 2.47 -1.26 -5.01 114.94 119.91 1x5m s ASN 22 Ca -0.08 1.31 -0.08 0.00 0.42 0.00 0.00 52.86 54.43 1x5m s ASN 22 Cb 0.01 -2.52 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 1x5m s ASN 22 CO 0.11 -0.64 0.31 -0.72 -3.72 0.00 0.00 177.10 172.45 1x5m s TYR 23 N 3.11 -0.40 0.10 0.43 -0.85 -1.26 -4.73 117.35 113.75 1x5m s TYR 23 Ca 0.42 0.92 -0.26 0.00 -0.52 0.00 0.00 57.07 57.63 1x5m s TYR 23 Cb -0.15 0.13 -0.06 0.00 0.38 0.00 0.00 41.96 42.25 1x5m s TYR 23 CO 0.06 -0.23 0.80 0.20 -1.52 0.00 0.00 175.55 174.86 1x5m s GLY 24 N 0.89 2.87 -0.03 5.49 0.00 -0.69 -4.97 107.32 110.89 1x5m s GLY 24 Ca -0.06 0.36 -0.05 0.00 0.00 0.00 0.00 44.72 44.96 1x5m s GLY 24 CO -0.06 1.06 0.13 0.66 0.00 0.00 0.00 173.10 174.88 1x5m s TRP 25 N -0.46 -0.05 0.22 1.90 1.48 -1.26 0.14 118.94 120.90 1x5m s TRP 25 Ca 0.39 0.12 0.00 0.00 -1.06 0.00 0.00 56.10 55.55 1x5m s TRP 25 Cb -0.22 -0.00 -0.05 0.00 -1.16 0.00 0.00 33.47 32.04 1x5m s TRP 25 CO 0.25 -0.16 0.09 -0.51 -4.06 0.00 0.00 176.95 172.56 1x5m s ASP 26 N -0.58 0.77 -0.06 -2.66 1.01 -0.49 -4.94 116.67 109.72 1x5m s ASP 26 Ca -0.07 -1.35 -0.11 0.00 0.71 0.00 0.00 52.55 51.74 1x5m s ASP 26 Cb -0.04 0.24 0.02 0.00 1.01 0.00 0.00 42.92 44.15 1x5m s ASP 26 CO 0.01 -0.75 0.26 0.00 0.21 0.00 0.00 175.17 174.90 1x5m s GLN 27 N -4.06 0.45 0.02 8.23 0.00 -1.26 -2.89 119.66 120.15 1x5m s GLN 27 Ca 0.35 0.08 -0.01 0.00 -0.00 0.00 0.00 55.36 55.79 1x5m s GLN 27 Cb 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 33.01 33.27 1x5m s GLN 27 CO 0.11 -0.09 -0.02 -1.12 0.00 0.00 0.00 175.29 174.17 1x5m s SER 28 N -0.55 0.27 -0.92 12.60 0.01 -0.96 -4.98 113.70 119.17 1x5m s SER 28 Ca -0.07 -0.57 -0.26 0.00 1.31 0.00 0.00 55.95 56.37 1x5m s SER 28 Cb -0.04 0.12 -0.20 0.00 0.21 0.00 0.00 66.02 66.11 1x5m s SER 28 CO 0.02 -0.36 1.96 0.47 0.41 0.00 0.00 173.24 175.74 1x5m n ASP 29 N 1.33 1.98 0.00 2.44 8.00 -1.26 -2.02 116.55 127.02 1x5m n ASP 29 Ca -0.22 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.70 1x5m n ASP 29 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1x5m n ASP 29 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1x5m n LYS 30 N 8.03 0.00 -3.82 -1.24 5.02 -1.26 -4.32 118.16 120.57 1x5m n LYS 30 Ca 0.44 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 1x5m n LYS 30 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.43 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 -0.02 -0.02 2.13 0.08 -0.86 -4.07 117.98 115.23 1x5m s PHE 31 Ca 0.00 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.74 1x5m s PHE 31 Cb 0.00 0.40 -0.03 0.00 -0.57 0.00 0.00 43.02 42.82 1x5m s PHE 31 CO 0.00 -0.99 -0.15 0.08 -0.10 0.00 0.00 175.22 174.05 1x5m s VAL 32 N -3.92 2.97 -0.01 -0.44 1.01 0.42 -2.27 120.40 118.16 1x5m s VAL 32 Ca 0.13 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x5m s VAL 32 Cb -0.02 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1x5m s VAL 32 CO 0.02 0.51 0.18 -0.75 0.00 0.00 0.00 175.10 175.06 1x5m s LYS 33 N -0.97 0.50 0.11 2.72 2.20 -1.14 0.18 119.74 123.35 1x5m s LYS 33 Ca 0.13 -0.28 0.10 0.00 -0.36 0.00 0.00 55.97 55.55 1x5m s LYS 33 Cb -0.11 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1x5m s LYS 33 CO 0.02 -0.12 -0.24 0.42 -0.36 0.00 0.00 175.35 175.07 1x5m s ILE 34 N -1.21 2.02 -0.26 5.43 1.09 -0.81 -1.39 121.20 126.06 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 -1.80 0.08 0.00 -1.06 0.00 0.00 42.46 39.62 1x5m s ILE 34 CO 0.02 0.04 0.07 -0.31 -0.10 0.00 0.00 174.94 174.66 1x5m s TYR 35 N -1.09 1.36 0.02 3.97 1.51 0.37 -1.95 117.35 121.54 1x5m s TYR 35 Ca 0.11 -1.34 -0.01 0.00 -1.01 0.00 0.00 57.07 54.82 1x5m s TYR 35 Cb -0.10 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1x5m s TYR 35 CO 0.05 -0.77 0.16 0.42 -1.11 0.00 0.00 175.55 174.30 1x5m s ILE 36 N 1.74 5.21 -0.55 2.71 1.09 -0.89 -1.70 121.20 128.81 1x5m s ILE 36 Ca 0.05 -0.32 -0.20 0.00 -1.10 0.00 0.00 60.65 59.08 1x5m s ILE 36 Cb -0.17 -3.46 0.07 0.00 -1.06 0.00 0.00 42.46 37.84 1x5m s ILE 36 CO -0.19 0.27 0.72 -0.89 -0.10 0.00 0.00 174.94 174.75 1x5m s THR 37 N -1.35 4.74 -0.30 2.92 2.01 -1.26 -1.74 115.64 120.66 1x5m s THR 37 Ca 0.28 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1x5m s THR 37 Cb -0.13 -4.42 0.10 0.00 0.01 0.00 0.00 72.50 68.07 1x5m s THR 37 CO 0.20 -0.99 0.13 -0.22 -0.69 0.00 0.00 174.62 173.05 1x5m s LEU 38 N 2.98 1.12 -0.37 4.42 1.98 -0.58 -4.96 118.68 123.27 1x5m s LEU 38 Ca 0.17 -1.46 -0.29 0.00 -2.89 0.00 0.00 54.13 49.66 1x5m s LEU 38 Cb -0.19 -0.52 0.00 0.00 0.66 0.00 0.00 46.19 46.14 1x5m s LEU 38 CO 0.11 -0.42 1.40 -0.89 -1.89 0.00 0.00 176.35 174.66 1x5m s THR 39 N 1.88 3.95 0.00 3.68 2.01 -1.24 -2.52 115.64 123.40 1x5m s THR 39 Ca 0.10 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.11 1x5m s THR 39 Cb -0.17 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1x5m s THR 39 CO -0.31 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.59 1x5m n GLY 40 N 4.84 1.45 0.34 4.40 0.00 -1.26 -4.54 105.19 110.41 1x5m n GLY 40 Ca 0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 -0.01 1.61 3.04 -1.84 1.53 116.25 120.58 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 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1x5m h VAL 41 CO 0.00 0.00 -0.20 0.00 -1.01 0.00 0.00 177.57 176.36 1x5m n HIS 42 N -3.00 0.00 -0.03 3.17 1.44 -1.26 -3.62 115.22 111.92 1x5m n HIS 42 Ca -0.03 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.73 1x5m n HIS 42 Cb 0.21 -0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.07 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 -0.55 0.74 -2.81 -1.40 6.02 0.51 -4.97 117.38 114.92 1x5m n GLN 43 Ca 0.14 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 1x5m n GLN 43 Cb 0.34 -1.44 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 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 -3.03 4.55 0.94 5.09 -7.23 -0.61 -5.06 120.40 115.05 1x5m s VAL 44 Ca -0.07 1.17 -0.13 0.00 -1.81 0.00 0.00 61.98 61.14 1x5m s VAL 44 Cb 0.10 -3.65 0.16 0.00 0.56 0.00 0.00 36.38 33.55 1x5m s VAL 44 CO 0.75 -0.40 1.15 -2.16 -0.31 0.00 0.00 175.10 174.13 1x5m s PRO 45 N -3.42 0.88 0.00 4.82 0.04 -1.26 -4.92 135.00 131.13 1x5m s PRO 45 Ca 0.58 0.19 0.22 0.00 0.04 0.00 0.00 61.00 62.03 1x5m s PRO 45 Cb -0.10 -1.82 1.19 0.00 0.04 0.00 0.00 34.50 33.82 1x5m s PRO 45 CO 0.21 -2.36 1.72 -2.37 0.04 0.00 0.00 177.00 174.24 1x5m n THR 46 N -3.86 0.22 0.14 1.26 5.66 -1.26 -2.31 114.28 114.13 1x5m n THR 46 Ca 0.08 0.05 0.05 0.00 -3.05 0.00 0.00 64.05 61.19 1x5m n THR 46 Cb 0.59 -0.69 0.04 0.00 -1.55 0.00 0.00 70.33 68.72 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 -3.24 114.58 114.54 1x5m h GLU 47 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1x5m h GLU 47 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1x5m h GLU 47 CO 0.00 0.30 -1.46 0.09 0.07 0.00 0.00 179.01 178.01 1x5m n ASN 48 N -3.09 0.55 -4.37 3.06 3.02 -0.98 -4.66 115.26 108.80 1x5m n ASN 48 Ca 0.01 0.22 -0.46 0.00 -0.03 0.00 0.00 54.58 54.32 1x5m n ASN 48 Cb 0.68 0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 40.72 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 -3.28 5.24 -0.35 2.41 1.01 -1.18 -1.24 120.40 123.02 1x5m s VAL 49 Ca -0.04 -1.95 -0.08 0.00 0.00 0.00 0.00 61.98 59.91 1x5m s VAL 49 Cb 0.10 -4.54 0.03 0.00 0.00 0.00 0.00 36.38 31.97 1x5m s VAL 49 CO 0.83 -1.16 0.14 -1.10 0.00 0.00 0.00 175.10 173.82 1x5m s GLN 50 N 1.29 2.75 -0.02 2.72 -0.21 -0.23 -4.86 119.66 121.09 1x5m s GLN 50 Ca 0.20 -1.10 0.04 0.00 0.02 0.00 0.00 55.36 54.51 1x5m s GLN 50 Cb -0.12 -3.56 -0.00 0.00 1.00 0.00 0.00 33.01 30.32 1x5m s GLN 50 CO -0.06 -0.65 -0.13 0.54 -2.12 0.00 0.00 175.29 172.87 1x5m s VAL 51 N 1.47 1.07 -0.04 1.09 0.11 -1.26 0.19 120.40 123.03 1x5m s VAL 51 Ca 0.00 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.55 1x5m s VAL 51 Cb -0.19 -0.92 -0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1x5m s VAL 51 CO 0.04 0.31 -0.18 -2.28 -3.33 0.00 0.00 175.10 169.67 1x5m s HIS 52 N -0.06 1.73 -0.02 1.54 5.04 0.65 -4.96 115.29 119.22 1x5m s HIS 52 Ca 0.00 -0.48 -0.01 0.00 -1.54 0.00 0.00 55.06 53.03 1x5m s HIS 52 Cb -0.08 -1.16 -0.04 0.00 0.04 0.00 0.00 32.58 31.34 1x5m s HIS 52 CO 0.00 -0.15 0.09 -0.06 -2.34 0.00 0.00 174.74 172.28 1x5m s PHE 53 N -0.02 3.32 0.00 3.88 0.08 -1.26 -0.52 117.98 123.45 1x5m s PHE 53 Ca -0.03 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1x5m s PHE 53 Cb -0.11 -1.76 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1x5m s PHE 53 CO 0.02 0.56 0.00 0.25 -0.10 0.00 0.00 175.22 175.95 1x5m n THR 54 N 1.28 0.00 0.05 0.64 -2.24 -0.50 -4.80 114.28 108.72 1x5m n THR 54 Ca -0.14 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 1x5m n THR 54 Cb 0.53 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.64 1x5m n THR 54 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1x5m h GLU 55 N 0.00 0.55 -1.38 -0.78 4.11 -1.94 -3.38 114.58 111.76 1x5m h GLU 55 Ca 0.00 -0.68 -0.41 0.00 0.07 0.00 0.00 59.36 58.35 1x5m h GLU 55 Cb 0.00 0.21 -0.38 0.00 0.50 0.00 0.00 28.75 29.08 1x5m h GLU 55 CO 0.00 1.28 -1.15 0.54 0.07 0.00 0.00 179.01 179.75 1x5m n ARG 56 N -3.96 1.06 0.00 1.06 5.12 -1.26 0.19 116.66 118.87 1x5m n ARG 56 Ca -0.12 -3.22 0.00 0.00 -1.93 0.00 0.00 57.85 52.58 1x5m n ARG 56 Cb 0.86 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.76 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 0.09 0.00 -3.58 0.55 3.41 -1.26 -2.59 113.62 110.24 1x5m n SER 57 Ca 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1x5m n SER 57 Cb 0.75 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.64 1x5m n SER 57 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1x5m s PHE 58 N -2.00 -0.55 0.06 7.33 -0.12 -0.58 -1.41 117.98 120.71 1x5m s PHE 58 Ca 0.00 1.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.96 1x5m s PHE 58 Cb 0.00 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.68 1x5m s PHE 58 CO 0.00 -0.27 0.06 0.16 -0.05 0.00 0.00 175.22 175.12 1x5m s ASP 59 N 1.59 5.43 -0.17 1.98 -4.77 0.32 -0.68 116.67 120.37 1x5m s ASP 59 Ca -0.07 -0.01 -0.04 0.00 -3.30 0.00 0.00 52.55 49.13 1x5m s ASP 59 Cb -0.04 -1.45 0.08 0.00 -1.09 0.00 0.00 42.92 40.42 1x5m s ASP 59 CO -0.15 0.20 0.23 -0.22 0.70 0.00 0.00 175.17 175.93 1x5m s LEU 60 N -2.15 -0.17 0.10 2.11 0.20 0.55 -0.25 118.68 119.06 1x5m s LEU 60 Ca 0.26 0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.23 1x5m s LEU 60 Cb -0.12 0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 46.07 1x5m s LEU 60 CO 0.18 -0.29 0.01 -0.22 -0.29 0.00 0.00 176.35 175.75 1x5m s LEU 61 N 2.35 3.49 -0.24 -0.68 1.98 0.49 0.11 118.68 126.19 1x5m s LEU 61 Ca 0.05 -0.17 -0.03 0.00 -2.89 0.00 0.00 54.13 51.09 1x5m s LEU 61 Cb -0.14 -2.22 0.11 0.00 0.66 0.00 0.00 46.19 44.60 1x5m s LEU 61 CO -0.10 0.17 0.24 -0.69 -1.89 0.00 0.00 176.35 174.08 1x5m s VAL 62 N -1.35 -0.34 0.31 1.68 1.01 0.12 -1.07 120.40 120.77 1x5m s VAL 62 Ca 0.26 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1x5m s VAL 62 Cb -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1x5m s VAL 62 CO 0.19 -0.33 0.40 -0.54 0.00 0.00 0.00 175.10 174.82 1x5m s LYS 63 N 2.33 3.10 -0.01 2.72 1.02 -0.37 0.51 119.74 129.03 1x5m s LYS 63 Ca 0.08 -1.02 -0.00 0.00 0.02 0.00 0.00 55.97 55.05 1x5m s LYS 63 Cb -0.15 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 1x5m s LYS 63 CO -0.21 0.17 0.00 -1.71 -0.92 0.00 0.00 175.35 172.68 1x5m n ASN 64 N -1.51 -6.57 0.00 2.83 5.15 -1.25 -4.78 115.26 109.13 1x5m n ASN 64 Ca -0.03 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1x5m n ASN 64 Cb 0.58 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1x5m n ASN 64 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1x5m n LEU 65 N 1.28 0.00 -4.28 1.20 7.94 0.61 -4.77 117.00 118.98 1x5m n LEU 65 Ca -0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1x5m n LEU 65 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1x5m n LEU 65 CO 0.01 0.00 1.52 0.59 -1.11 0.00 0.00 177.39 178.40 1x5m n ASN 66 N 0.00 5.24 -1.00 1.96 3.02 -1.26 -4.34 115.26 118.87 1x5m n ASN 66 Ca 0.00 -3.03 -0.13 0.00 -0.03 0.00 0.00 54.58 51.39 1x5m n ASN 66 Cb 0.00 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 37.59 1x5m n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x5m n GLY 67 N 3.57 1.37 0.00 7.41 0.00 -1.26 -4.88 105.19 111.40 1x5m n GLY 67 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.36 0.00 -4.14 1.61 2.85 -1.26 -5.14 118.16 109.72 1x5m n LYS 68 Ca -0.13 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 56.98 1x5m n LYS 68 Cb 0.46 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.73 1x5m n LYS 68 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1x5m s SER 69 N -0.98 1.34 0.06 -5.58 1.04 -1.26 0.23 113.70 108.55 1x5m s SER 69 Ca 0.00 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 55.81 1x5m s SER 69 Cb 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 1x5m s SER 69 CO 0.00 -0.19 -0.15 -0.31 0.98 0.00 0.00 173.24 173.57 1x5m s TYR 70 N -1.79 1.31 -0.00 5.02 1.51 0.18 0.18 117.35 123.76 1x5m s TYR 70 Ca -0.01 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1x5m s TYR 70 Cb -0.07 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 1x5m s TYR 70 CO 0.01 0.07 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.91 1x5m s SER 71 N -1.56 0.79 -0.10 2.29 1.04 0.50 0.16 113.70 116.82 1x5m s SER 71 Ca 0.00 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.27 1x5m s SER 71 Cb -0.09 -0.09 0.05 0.00 0.10 0.00 0.00 66.02 65.99 1x5m s SER 71 CO 0.02 0.08 0.20 -0.32 0.98 0.00 0.00 173.24 174.21 1x5m s MET 72 N -0.17 0.08 0.02 4.02 0.00 0.29 -1.34 119.30 122.21 1x5m s MET 72 Ca 0.03 0.64 0.02 0.00 0.00 0.00 0.00 55.69 56.37 1x5m s MET 72 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 34.83 34.62 1x5m s MET 72 CO -0.00 -0.29 -0.07 0.42 0.00 0.00 0.00 175.02 175.07 1x5m s ILE 73 N 2.30 0.55 -0.11 10.11 1.01 -1.26 0.20 121.20 134.01 1x5m s ILE 73 Ca 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1x5m s ILE 73 Cb -0.12 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.83 1x5m s ILE 73 CO -0.07 -0.11 -0.11 0.68 0.00 0.00 0.00 174.94 175.33 1x5m s VAL 74 N -0.76 1.19 -0.11 2.92 -7.23 0.14 -4.98 120.40 111.58 1x5m s VAL 74 Ca -0.03 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1x5m s VAL 74 Cb -0.06 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.73 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 1.33 3.04 0.00 4.85 0.01 -1.26 -1.53 114.94 121.39 1x5m s ASN 75 Ca -0.01 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.58 1x5m s ASN 75 Cb -0.14 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.13 1x5m s ASN 75 CO -0.05 0.14 0.00 0.59 -1.51 0.00 0.00 177.10 176.27 1x5m n ASN 76 N 3.63 -1.54 -4.76 -1.22 3.02 -1.14 -4.76 115.26 108.49 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 -0.77 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 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 -0.24 4.27 0.29 3.41 1.43 -1.07 -1.59 118.68 125.19 1x5m s LEU 77 Ca 0.00 0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 53.50 1x5m s LEU 77 Cb 0.00 -2.25 0.54 0.00 0.03 0.00 0.00 46.19 44.50 1x5m s LEU 77 CO 0.00 0.19 1.55 -0.11 0.23 0.00 0.00 176.35 178.22 1x5m n LEU 78 N 3.16 -0.29 -4.39 1.79 7.94 -1.20 -4.45 117.00 119.56 1x5m n LEU 78 Ca -0.15 1.71 -0.21 0.00 -1.11 0.00 0.00 56.01 56.25 1x5m n LEU 78 Cb 0.52 -0.54 -0.10 0.00 0.53 0.00 0.00 43.42 43.83 1x5m n LEU 78 CO 0.37 -1.66 -0.47 -0.54 -1.11 0.00 0.00 177.39 173.99 1x5m s LYS 79 N -6.19 1.46 0.85 1.96 -0.14 -1.26 -4.95 119.74 111.47 1x5m s LYS 79 Ca -0.14 -1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 52.72 1x5m s LYS 79 Cb 0.27 -1.42 0.10 0.00 -1.68 0.00 0.00 37.83 35.11 1x5m s LYS 79 CO 0.78 0.26 1.12 -1.25 -0.76 0.00 0.00 175.35 175.49 1x5m s PRO 80 N -3.42 1.63 -0.13 -1.68 0.04 -1.26 -4.80 135.00 125.38 1x5m s PRO 80 Ca 0.24 0.47 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1x5m s PRO 80 Cb -0.03 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1x5m s PRO 80 CO 0.10 -1.90 0.37 0.96 0.04 0.00 0.00 177.00 176.57 1x5m s ILE 81 N -3.21 0.01 0.35 0.56 -5.25 0.51 -3.26 121.20 110.91 1x5m s ILE 81 Ca 0.62 -0.05 -0.27 0.00 -0.99 0.00 0.00 60.65 59.96 1x5m s ILE 81 Cb -0.15 -0.54 -0.09 0.00 2.95 0.00 0.00 42.46 44.63 1x5m s ILE 81 CO 0.54 -0.03 1.17 -0.55 -1.79 0.00 0.00 174.94 174.28 1x5m s SER 82 N 0.01 6.80 -0.02 4.36 0.15 -1.09 -3.88 113.70 120.04 1x5m s SER 82 Ca -0.02 2.38 -0.01 0.00 0.70 0.00 0.00 55.95 59.00 1x5m s SER 82 Cb -0.03 -2.62 -0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x5m s SER 82 CO 0.01 -0.48 -0.02 0.58 1.20 0.00 0.00 173.24 174.53 1x5m h VAL 83 N 2.68 0.00 -0.39 4.45 2.07 -1.87 -1.71 116.25 121.48 1x5m h VAL 83 Ca -0.48 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.03 1x5m h VAL 83 Cb 1.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1x5m h VAL 83 CO 0.64 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 178.54 1x5m h GLU 84 N -0.12 0.00 0.00 1.57 5.08 -1.94 1.05 114.58 120.22 1x5m h GLU 84 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1x5m h GLU 84 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1x5m h GLU 84 CO 0.00 0.00 -1.80 0.41 -1.00 0.00 0.00 179.01 176.62 1x5m n GLY 85 N -1.47 -1.02 3.66 -3.84 0.00 -1.26 -4.94 105.19 96.33 1x5m n GLY 85 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1x5m n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 86 N -5.94 2.90 0.14 1.61 0.01 0.36 -4.65 113.70 108.12 1x5m s SER 86 Ca -0.05 1.95 -0.18 0.00 1.31 0.00 0.00 55.95 58.98 1x5m s SER 86 Cb 0.08 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.87 1x5m s SER 86 CO 0.83 -3.08 0.47 -0.44 0.41 0.00 0.00 173.24 171.43 1x5m s SER 87 N -2.83 -0.34 -0.00 2.44 0.01 -0.38 -4.94 113.70 107.66 1x5m s SER 87 Ca 0.66 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.77 1x5m s SER 87 Cb -0.22 0.52 -0.02 0.00 0.21 0.00 0.00 66.02 66.51 1x5m s SER 87 CO 0.59 -0.90 -0.23 -1.59 0.41 0.00 0.00 173.24 171.52 1x5m s LYS 88 N -3.79 1.81 0.07 12.44 0.00 -1.26 -0.46 119.74 128.55 1x5m s LYS 88 Ca 0.03 -0.87 -0.00 0.00 0.00 0.00 0.00 55.97 55.12 1x5m s LYS 88 Cb 0.01 -1.80 -0.04 0.00 0.00 0.00 0.00 37.83 36.00 1x5m s LYS 88 CO -0.12 0.49 -0.03 0.15 0.00 0.00 0.00 175.35 175.84 1x5m s LYS 89 N -0.69 0.70 -0.05 1.78 1.02 -0.73 -4.91 119.74 116.86 1x5m s LYS 89 Ca 0.09 -1.27 0.01 0.00 0.02 0.00 0.00 55.97 54.81 1x5m s LYS 89 Cb -0.09 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.36 1x5m s LYS 89 CO -0.00 -0.11 -0.04 0.08 -0.92 0.00 0.00 175.35 174.36 1x5m s VAL 90 N -3.87 0.51 0.53 3.17 1.01 -1.26 0.19 120.40 120.68 1x5m s VAL 90 Ca 0.10 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1x5m s VAL 90 Cb 0.07 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1x5m s VAL 90 CO -0.07 0.23 0.45 -1.59 0.00 0.00 0.00 175.10 174.11 1x5m s LYS 91 N 1.08 2.30 -0.02 2.72 -2.85 0.64 -4.85 119.74 118.76 1x5m s LYS 91 Ca -0.09 -1.89 -0.30 0.00 -1.00 0.00 0.00 55.97 52.69 1x5m s LYS 91 Cb -0.14 -2.21 -0.09 0.00 -2.06 0.00 0.00 37.83 33.33 1x5m s LYS 91 CO -0.01 -0.58 2.01 2.41 0.10 0.00 0.00 175.35 179.28 1x5m n THR 92 N -1.79 0.68 -2.95 3.79 -1.04 -1.26 -1.22 114.28 110.50 1x5m n THR 92 Ca 0.02 -0.19 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 1x5m n THR 92 Cb 0.64 -2.31 -0.01 0.00 -1.82 0.00 0.00 70.33 66.83 1x5m n THR 92 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1x5m n ASP 93 N 8.16 -3.43 -3.64 8.00 8.00 -1.26 -4.89 116.55 127.49 1x5m n ASP 93 Ca 0.22 -0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.49 1x5m n ASP 93 Cb 0.40 -2.90 -0.08 0.00 -0.02 0.00 0.00 41.12 38.53 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x5m s THR 94 N -2.71 0.00 -0.15 -3.53 2.01 -0.36 -1.53 115.64 109.37 1x5m s THR 94 Ca 0.22 -0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.16 1x5m s THR 94 Cb -0.11 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1x5m s THR 94 CO 0.27 -0.02 -0.05 0.54 -0.69 0.00 0.00 174.62 174.67 1x5m s VAL 95 N -0.06 3.74 0.02 3.82 0.11 -0.71 0.23 120.40 127.55 1x5m s VAL 95 Ca -0.03 -0.41 -0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1x5m s VAL 95 Cb -0.04 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.14 1x5m s VAL 95 CO 0.03 0.49 0.18 -0.76 -3.33 0.00 0.00 175.10 171.71 1x5m s LEU 96 N 0.42 4.29 -0.37 2.54 1.43 0.51 -2.09 118.68 125.42 1x5m s LEU 96 Ca -0.05 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1x5m s LEU 96 Cb -0.14 -2.70 0.14 0.00 0.03 0.00 0.00 46.19 43.51 1x5m s LEU 96 CO 0.03 0.23 0.21 -0.63 0.23 0.00 0.00 176.35 176.42 1x5m s ILE 97 N -1.38 0.48 -0.19 -0.59 -1.09 -0.82 -1.77 121.20 115.84 1x5m s ILE 97 Ca 0.30 -1.89 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 1x5m s ILE 97 Cb -0.13 -1.35 -0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1x5m s ILE 97 CO 0.22 -0.95 1.18 -0.76 -1.23 0.00 0.00 174.94 173.40 1x5m s LEU 98 N 0.94 4.15 -0.23 2.97 1.43 0.39 -1.93 118.68 126.40 1x5m s LEU 98 Ca 0.17 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1x5m s LEU 98 Cb -0.23 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.50 1x5m s LEU 98 CO -0.01 -0.72 -0.14 0.00 0.23 0.00 0.00 176.35 175.70 1x5m n ARG 100 N 4.51 1.25 -3.56 0.00 5.12 -1.25 -0.44 116.66 122.28 1x5m n ARG 100 Ca -0.17 0.48 -0.39 0.00 -1.93 0.00 0.00 57.85 55.84 1x5m n ARG 100 Cb 0.45 -2.45 -0.11 0.00 -1.16 0.00 0.00 32.46 29.19 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 -3.04 3.75 0.54 5.56 1.02 -1.26 -2.65 119.74 123.65 1x5m s LYS 101 Ca 0.77 -0.46 0.21 0.00 0.02 0.00 0.00 55.97 56.51 1x5m s LYS 101 Cb -0.41 -3.72 1.39 0.00 -0.52 0.00 0.00 37.83 34.57 1x5m s LYS 101 CO 0.45 -0.30 2.10 -0.22 -0.92 0.00 0.00 175.35 176.47 1x5m h LYS 102 N 8.42 0.00 -2.74 1.68 3.64 -1.88 -3.39 116.57 122.30 1x5m h LYS 102 Ca -0.33 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.83 1x5m h LYS 102 Cb 1.18 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.67 1x5m h LYS 102 CO 0.59 0.00 -0.52 0.54 -2.27 0.00 0.00 179.45 177.78 1x5m s VAL 103 N -4.97 -0.44 1.27 2.00 0.11 -1.26 -5.03 120.40 112.08 1x5m s VAL 103 Ca -0.05 0.21 -0.21 0.00 -2.93 0.00 0.00 61.98 59.00 1x5m s VAL 103 Cb 0.17 -0.50 0.32 0.00 -1.53 0.00 0.00 36.38 34.84 1x5m s VAL 103 CO 0.67 0.07 1.02 -0.62 -3.33 0.00 0.00 175.10 172.91 1x5m n GLU 104 N 5.35 -3.54 -3.75 1.54 4.71 -1.26 -4.22 120.64 119.48 1x5m n GLU 104 Ca -0.06 -1.65 -0.30 0.00 -0.01 0.00 0.00 57.16 55.14 1x5m n GLU 104 Cb 0.50 -1.67 0.03 0.00 -1.01 0.00 0.00 31.44 29.28 1x5m n GLU 104 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x5m n ASN 105 N -5.08 -3.88 -3.93 1.62 3.02 -1.26 -4.91 115.26 100.84 1x5m n ASN 105 Ca 0.15 -1.00 -0.10 0.00 -0.03 0.00 0.00 54.58 53.59 1x5m n ASN 105 Cb 0.58 -3.35 -0.12 0.00 -0.61 0.00 0.00 39.78 36.29 1x5m n ASN 105 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1x5m s THR 106 N -3.59 0.07 0.18 3.41 2.01 -1.26 -5.06 115.64 111.40 1x5m s THR 106 Ca 0.34 -0.59 0.05 0.00 0.31 0.00 0.00 61.69 61.80 1x5m s THR 106 Cb -0.12 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1x5m s THR 106 CO 0.86 -0.32 0.16 -0.60 -0.69 0.00 0.00 174.62 174.03 1x5m s ARG 107 N -0.97 2.95 -0.36 4.92 6.06 -1.26 -4.42 118.95 125.87 1x5m s ARG 107 Ca -0.11 -0.88 0.02 0.00 -2.50 0.00 0.00 55.73 52.27 1x5m s ARG 107 Cb -0.07 -2.66 0.11 0.00 0.06 0.00 0.00 34.95 32.39 1x5m s ARG 107 CO -0.00 0.47 0.11 -1.58 -2.50 0.00 0.00 175.30 171.79 1x5m s TRP 108 N -1.82 2.90 -0.28 5.12 0.52 -1.26 -4.94 118.94 119.19 1x5m s TRP 108 Ca 0.32 -2.58 0.26 0.00 0.02 0.00 0.00 56.10 54.11 1x5m s TRP 108 Cb -0.10 -2.44 1.15 0.00 -1.15 0.00 0.00 33.47 30.93 1x5m s TRP 108 CO 0.24 -0.89 1.78 0.22 0.02 0.00 0.00 176.95 178.32 1x5m h ASP 109 N 7.55 0.00 -4.77 2.95 3.58 -1.98 -3.44 116.42 120.31 1x5m h ASP 109 Ca -0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1x5m h ASP 109 Cb 1.00 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.85 1x5m h ASP 109 CO 0.52 0.00 0.29 -0.31 -2.88 0.00 0.00 179.24 176.86 1x5m s TYR 110 N -3.46 -0.57 0.30 0.28 2.02 -1.26 -4.98 117.35 109.68 1x5m s TYR 110 Ca 0.02 0.91 0.01 0.00 -0.37 0.00 0.00 57.07 57.64 1x5m s TYR 110 Cb 0.09 0.44 0.46 0.00 -0.40 0.00 0.00 41.96 42.54 1x5m s TYR 110 CO 0.38 -0.56 1.83 1.25 -1.57 0.00 0.00 175.55 176.88 1x5m h LEU 111 N 2.78 0.68 -9.09 -1.29 7.12 -1.95 -3.37 115.31 110.18 1x5m h LEU 111 Ca -0.25 -0.13 -0.44 0.00 0.13 0.00 0.00 57.88 57.19 1x5m h LEU 111 Cb 1.16 -0.18 -0.14 0.00 -0.53 0.00 0.00 40.66 40.98 1x5m h LEU 111 CO 0.37 0.70 -0.57 0.42 -0.13 0.00 0.00 178.44 179.23 1x5m s THR 112 N -5.10 0.57 -0.07 1.05 -4.23 -1.26 -3.22 115.64 103.39 1x5m s THR 112 Ca -0.09 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.55 1x5m s THR 112 Cb 0.15 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.44 1x5m s THR 112 CO 0.79 0.00 1.43 1.56 -0.54 0.00 0.00 174.62 177.86 1x5m h GLN 113 N 2.15 0.00 0.13 3.99 1.08 -1.57 -3.29 115.11 117.60 1x5m h GLN 113 Ca -0.36 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.83 1x5m h GLN 113 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1x5m h GLN 113 CO 0.58 0.61 -0.06 0.28 -0.95 0.00 0.00 178.83 179.28 1x5m h VAL 114 N 0.00 0.96 -0.24 -0.54 2.07 -1.89 -1.46 116.25 115.16 1x5m h VAL 114 Ca -0.01 -0.37 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1x5m h VAL 114 Cb 1.44 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1x5m h VAL 114 CO 0.08 0.09 0.41 -0.08 0.02 0.00 0.00 177.57 178.09 1x5m h GLU 115 N -0.34 0.00 0.01 1.57 4.81 -1.94 1.15 114.58 119.83 1x5m h GLU 115 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1x5m h GLU 115 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1x5m h GLU 115 CO 0.03 0.00 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.09 1x5m h LYS 116 N 0.00 -0.01 -0.18 1.92 3.64 -1.42 -0.77 116.57 119.75 1x5m h LYS 116 Ca 0.11 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1x5m h LYS 116 Cb 0.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1x5m h LYS 116 CO -0.00 0.85 -0.31 1.05 -2.27 0.00 0.00 179.45 178.77 1x5m h GLU 117 N -0.95 0.36 -0.01 1.90 4.11 0.10 0.19 114.58 120.28 1x5m h GLU 117 Ca -0.00 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.28 1x5m h GLU 117 Cb 0.86 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1x5m h GLU 117 CO 0.00 0.63 -0.01 0.00 0.07 0.00 0.00 179.01 179.71 1x5m h LYS 119 N -0.50 -0.73 -3.86 0.00 1.79 -0.99 -3.34 116.57 108.94 1x5m h LYS 119 Ca 0.00 0.05 -0.77 0.00 -2.18 0.00 0.00 60.65 57.75 1x5m h LYS 119 Cb 0.54 0.17 -0.27 0.00 -1.58 0.00 0.00 32.23 31.08 1x5m h LYS 119 CO 0.00 -0.49 -0.01 -1.21 -1.08 0.00 0.00 179.45 176.66 1x5m s GLU 120 N -4.97 3.37 -0.62 3.15 0.41 0.04 -5.00 118.70 115.08 1x5m s GLU 120 Ca -0.13 -2.34 -0.27 0.00 -0.41 0.00 0.00 54.97 51.83 1x5m s GLU 120 Cb 0.02 -4.32 -0.11 0.00 -1.78 0.00 0.00 34.13 27.95 1x5m s GLU 120 CO 0.41 -1.28 2.47 1.63 -0.49 0.00 0.00 175.26 178.00 1x5m n LYS 121 N 4.13 0.79 -4.28 1.61 4.76 -1.15 -4.50 118.16 119.51 1x5m n LYS 121 Ca 0.09 -0.06 -0.25 0.00 -2.87 0.00 0.00 58.31 55.21 1x5m n LYS 121 Cb 0.45 -3.05 -0.08 0.00 -1.84 0.00 0.00 35.03 30.51 1x5m n LYS 121 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x5m s SER 122 N 11.34 4.26 0.08 4.39 0.15 -1.26 -5.11 113.70 127.55 1x5m s SER 122 Ca 1.06 -1.10 0.07 0.00 0.70 0.00 0.00 55.95 56.67 1x5m s SER 122 Cb -0.39 -0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 1x5m s SER 122 CO 0.30 -0.44 -0.18 -0.83 1.20 0.00 0.00 173.24 173.29 1x5m s GLY 123 N -3.82 1.07 -0.06 9.45 0.00 -1.26 -5.07 107.32 107.63 1x5m s GLY 123 Ca 0.38 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.90 1x5m s GLY 123 CO 0.21 -1.09 0.43 -0.56 0.00 0.00 0.00 173.10 172.10 1x5m h PRO 124 N 4.40 -0.31 -4.04 2.90 0.13 -2.04 -3.50 132.00 129.55 1x5m h PRO 124 Ca -0.43 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1x5m h PRO 124 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x5m h PRO 124 CO 0.41 -0.16 -0.39 0.45 -0.23 0.00 0.00 178.00 178.09 1x5m n SER 125 N -4.99 -4.86 -4.64 1.44 2.88 -1.26 -4.91 113.62 97.28 1x5m n SER 125 Ca -0.05 0.53 -0.43 0.00 -1.33 0.00 0.00 58.87 57.59 1x5m n SER 125 Cb 0.15 -3.08 -0.02 0.00 -0.75 0.00 0.00 64.21 60.50 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 -1.15 6.56 0.00 -3.46 0.15 -1.26 -5.36 113.70 109.18 1x5m s SER 126 Ca 0.04 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.37 1x5m s SER 126 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1x5m s SER 126 CO 0.37 -1.10 0.07 0.61 1.20 0.00 0.00 173.24 174.39