#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5m s SER 2 N 0.00 -0.24 0.11 1.61 0.15 -1.26 -5.18 113.70 108.89 1x5m s SER 2 Ca 0.00 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.13 1x5m s SER 2 Cb 0.00 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1x5m s SER 2 CO 0.00 -1.25 -0.12 -0.55 1.20 0.00 0.00 173.24 172.52 1x5m s SER 3 N -2.93 1.71 0.00 5.45 0.15 -1.26 -5.12 113.70 111.70 1x5m s SER 3 Ca 0.11 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.93 1x5m s SER 3 Cb -0.05 -0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1x5m s SER 3 CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1x5m n GLY 4 N 0.45 0.98 3.64 9.45 0.00 -1.26 -5.13 105.19 113.31 1x5m n GLY 4 Ca -0.15 -2.02 -0.08 0.00 0.00 0.00 0.00 46.02 43.77 1x5m n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5m s SER 5 N -0.50 -0.64 0.32 1.61 0.01 -1.26 -5.18 113.70 108.06 1x5m s SER 5 Ca 0.00 1.11 -0.18 0.00 1.31 0.00 0.00 55.95 58.19 1x5m s SER 5 Cb 0.00 1.20 0.05 0.00 0.21 0.00 0.00 66.02 67.48 1x5m s SER 5 CO 0.00 -0.18 0.81 -0.94 0.41 0.00 0.00 173.24 173.33 1x5m s SER 6 N 0.90 -0.08 -0.15 2.44 1.04 -1.26 -5.15 113.70 111.43 1x5m s SER 6 Ca -0.04 -0.90 -0.04 0.00 0.48 0.00 0.00 55.95 55.45 1x5m s SER 6 Cb -0.05 0.76 0.06 0.00 0.10 0.00 0.00 66.02 66.89 1x5m s SER 6 CO -0.11 -1.47 0.12 -0.83 0.98 0.00 0.00 173.24 171.93 1x5m s GLY 7 N -3.05 0.24 -0.04 7.32 0.00 -1.26 -5.13 107.32 105.40 1x5m s GLY 7 Ca 0.15 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.83 1x5m s GLY 7 CO 0.09 1.77 -0.09 0.54 0.00 0.00 0.00 173.10 175.41 1x5m s VAL 8 N 2.19 0.81 0.03 1.40 0.11 -1.26 -5.14 120.40 118.54 1x5m s VAL 8 Ca 0.03 -0.33 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1x5m s VAL 8 Cb -0.15 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1x5m s VAL 8 CO -0.09 0.27 -0.09 0.54 -3.33 0.00 0.00 175.10 172.40 1x5m s VAL 9 N 0.49 0.72 -0.12 2.04 0.11 -1.26 -5.14 120.40 117.24 1x5m s VAL 9 Ca -0.08 -0.79 0.01 0.00 -2.93 0.00 0.00 61.98 58.19 1x5m s VAL 9 Cb -0.12 -0.68 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1x5m s VAL 9 CO 0.01 -0.08 -0.13 0.00 -3.33 0.00 0.00 175.10 171.57 1x5m s ALA 10 N -0.80 1.66 0.68 1.54 0.00 -1.26 -5.13 121.76 118.45 1x5m s ALA 10 Ca -0.02 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 1x5m s ALA 10 Cb -0.07 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.13 1x5m s ALA 10 CO 0.00 -0.26 1.06 -1.25 0.00 0.00 0.00 175.76 175.32 1x5m s PRO 11 N 1.32 3.01 0.77 0.00 0.04 -1.26 -5.02 135.00 133.85 1x5m s PRO 11 Ca -0.00 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1x5m s PRO 11 Cb -0.14 -2.00 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1x5m s PRO 11 CO -0.06 -1.04 1.13 0.96 0.04 0.00 0.00 177.00 178.02 1x5m s ILE 12 N -2.95 2.85 -0.11 0.56 -0.00 -1.26 -5.03 121.20 115.26 1x5m s ILE 12 Ca 0.59 0.33 0.02 0.00 -0.00 0.00 0.00 60.65 61.59 1x5m s ILE 12 Cb -0.14 -2.73 -0.01 0.00 -0.00 0.00 0.00 42.46 39.57 1x5m s ILE 12 CO 0.52 -0.31 -0.17 0.42 -0.00 0.00 0.00 174.94 175.39 1x5m s THR 13 N -2.56 2.68 0.19 8.37 -4.23 -1.26 -5.08 115.64 113.76 1x5m s THR 13 Ca 0.66 -0.81 -0.17 0.00 -1.18 0.00 0.00 61.69 60.20 1x5m s THR 13 Cb -0.21 -2.08 -0.11 0.00 1.34 0.00 0.00 72.50 71.44 1x5m s THR 13 CO 0.51 0.54 0.23 1.07 -0.54 0.00 0.00 174.62 176.43 1x5m n THR 14 N 3.37 0.96 0.00 3.99 5.66 -1.26 -4.96 114.28 122.04 1x5m n THR 14 Ca -0.18 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1x5m n THR 14 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 1.44 0.99 3.31 1.09 0.00 -1.26 -5.14 105.19 105.61 1x5m n GLY 15 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.33 -3.51 1.61 4.11 -1.26 -5.16 117.16 112.62 1x5m n TYR 16 Ca 0.00 -0.59 -0.34 0.00 -0.00 0.00 0.00 57.90 56.98 1x5m n TYR 16 Cb 0.00 0.27 -0.05 0.00 -0.00 0.00 0.00 39.34 39.55 1x5m n TYR 16 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 1x5m s THR 17 N -2.04 5.02 0.47 -3.48 2.01 -1.26 -4.36 115.64 112.00 1x5m s THR 17 Ca 0.25 0.45 -0.20 0.00 0.31 0.00 0.00 61.69 62.50 1x5m s THR 17 Cb -0.01 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1x5m s THR 17 CO -0.01 0.15 0.99 -0.69 -0.69 0.00 0.00 174.62 174.37 1x5m s VAL 18 N -1.56 4.18 -0.33 3.82 1.01 0.49 -4.78 120.40 123.23 1x5m s VAL 18 Ca 0.39 1.29 -0.11 0.00 0.00 0.00 0.00 61.98 63.55 1x5m s VAL 18 Cb -0.13 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1x5m s VAL 18 CO 0.20 -0.35 0.19 -0.54 0.00 0.00 0.00 175.10 174.59 1x5m s LYS 19 N -3.37 3.32 -0.80 2.72 1.02 -1.26 0.18 119.74 121.55 1x5m s LYS 19 Ca 0.63 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.63 1x5m s LYS 19 Cb -0.12 -3.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1x5m s LYS 19 CO 0.19 -0.46 1.64 0.42 -0.92 0.00 0.00 175.35 176.22 1x5m s ILE 20 N 1.64 3.59 -0.16 2.17 1.01 -0.42 -4.78 121.20 124.25 1x5m s ILE 20 Ca 0.05 -0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.36 1x5m s ILE 20 Cb -0.17 -4.46 -0.23 0.00 0.01 0.00 0.00 42.46 37.61 1x5m s ILE 20 CO 0.08 -1.39 0.56 0.28 0.00 0.00 0.00 174.94 174.46 1x5m h SER 21 N 11.69 0.00 -3.60 3.58 0.02 -1.95 -3.44 113.55 119.84 1x5m h SER 21 Ca -0.08 -0.80 -0.62 0.00 -0.84 0.00 0.00 61.79 59.45 1x5m h SER 21 Cb 1.06 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.47 1x5m h SER 21 CO 1.28 1.13 -0.06 0.21 -1.14 0.00 0.00 176.83 178.25 1x5m s ASN 22 N -6.38 6.41 -0.13 3.07 3.84 -1.26 -5.04 114.94 115.44 1x5m s ASN 22 Ca -0.21 0.49 -0.09 0.00 0.21 0.00 0.00 52.86 53.25 1x5m s ASN 22 Cb -0.00 -2.27 0.04 0.00 -0.55 0.00 0.00 41.25 38.47 1x5m s ASN 22 CO 0.63 -0.26 0.33 -0.72 -2.79 0.00 0.00 177.10 174.29 1x5m s TYR 23 N 2.22 -0.42 0.01 0.43 -0.85 -1.26 -4.76 117.35 112.72 1x5m s TYR 23 Ca 0.20 0.97 -0.23 0.00 -0.52 0.00 0.00 57.07 57.48 1x5m s TYR 23 Cb -0.16 0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.27 1x5m s TYR 23 CO 0.09 -0.24 0.70 0.20 -1.52 0.00 0.00 175.55 174.79 1x5m s GLY 24 N 0.82 2.71 0.05 5.49 0.00 -0.47 -4.97 107.32 110.95 1x5m s GLY 24 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1x5m s GLY 24 CO -0.06 0.99 -0.06 0.66 0.00 0.00 0.00 173.10 174.63 1x5m s TRP 25 N 0.01 0.60 -0.28 1.90 1.48 -1.26 0.19 118.94 121.57 1x5m s TRP 25 Ca 0.36 -0.61 -0.20 0.00 -1.06 0.00 0.00 56.10 54.59 1x5m s TRP 25 Cb -0.19 -0.37 0.12 0.00 -1.16 0.00 0.00 33.47 31.87 1x5m s TRP 25 CO 0.20 -0.14 0.93 -0.51 -4.06 0.00 0.00 176.95 173.37 1x5m s ASP 26 N -1.87 -0.58 0.15 -2.66 1.11 -0.58 -4.91 116.67 107.32 1x5m s ASP 26 Ca -0.07 1.00 0.00 0.00 0.18 0.00 0.00 52.55 53.66 1x5m s ASP 26 Cb -0.06 1.15 -0.04 0.00 1.07 0.00 0.00 42.92 45.03 1x5m s ASP 26 CO -0.01 -0.16 0.04 0.00 1.18 0.00 0.00 175.17 176.21 1x5m s GLN 27 N 0.96 1.00 0.21 8.23 1.03 -1.26 -2.75 119.66 127.08 1x5m s GLN 27 Ca -0.05 -1.48 -0.01 0.00 0.04 0.00 0.00 55.36 53.86 1x5m s GLN 27 Cb -0.04 0.04 -0.04 0.00 0.03 0.00 0.00 33.01 33.00 1x5m s GLN 27 CO -0.12 -0.21 0.16 -1.12 -2.54 0.00 0.00 175.29 171.46 1x5m s SER 28 N -3.10 0.22 -1.06 12.60 0.01 -0.93 -4.91 113.70 116.52 1x5m s SER 28 Ca 0.24 -1.39 -0.25 0.00 1.31 0.00 0.00 55.95 55.86 1x5m s SER 28 Cb 0.07 0.40 -0.17 0.00 0.21 0.00 0.00 66.02 66.53 1x5m s SER 28 CO 0.03 -0.87 2.10 -1.81 0.41 0.00 0.00 173.24 173.10 1x5m s ASP 29 N -3.16 3.97 0.00 2.44 1.11 -1.26 -2.44 116.67 117.33 1x5m s ASP 29 Ca 0.38 -1.00 0.00 0.00 0.18 0.00 0.00 52.55 52.11 1x5m s ASP 29 Cb 0.06 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1x5m s ASP 29 CO 0.13 -4.13 0.00 0.29 1.18 0.00 0.00 175.17 172.63 1x5m n LYS 30 N 8.32 0.00 -4.05 8.23 5.02 -1.26 -4.44 118.16 129.97 1x5m n LYS 30 Ca 0.43 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.62 1x5m n LYS 30 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 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 0.58 -0.04 2.13 0.08 -1.02 -4.22 117.98 115.49 1x5m s PHE 31 Ca 0.00 -0.91 0.05 0.00 0.12 0.00 0.00 56.93 56.20 1x5m s PHE 31 Cb 0.00 -0.01 -0.02 0.00 -0.57 0.00 0.00 43.02 42.42 1x5m s PHE 31 CO 0.00 -0.91 -0.20 0.08 -0.10 0.00 0.00 175.22 174.09 1x5m s VAL 32 N -4.03 2.55 -0.01 -0.44 1.01 -0.49 -2.18 120.40 116.80 1x5m s VAL 32 Ca 0.27 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1x5m s VAL 32 Cb 0.01 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1x5m s VAL 32 CO 0.10 0.58 0.18 -0.75 0.00 0.00 0.00 175.10 175.21 1x5m s LYS 33 N -0.55 0.48 0.16 2.72 2.20 -1.11 0.62 119.74 124.26 1x5m s LYS 33 Ca 0.08 -0.25 0.09 0.00 -0.36 0.00 0.00 55.97 55.52 1x5m s LYS 33 Cb -0.11 0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1x5m s LYS 33 CO 0.01 -0.11 -0.19 0.42 -0.36 0.00 0.00 175.35 175.11 1x5m s ILE 34 N -1.13 1.83 -0.21 5.43 1.09 -1.09 -1.52 121.20 125.59 1x5m s ILE 34 Ca -0.12 -1.87 -0.03 0.00 -1.10 0.00 0.00 60.65 57.52 1x5m s ILE 34 Cb -0.06 -1.82 0.07 0.00 -1.06 0.00 0.00 42.46 39.59 1x5m s ILE 34 CO 0.02 -0.27 0.06 -0.31 -0.10 0.00 0.00 174.94 174.34 1x5m s TYR 35 N -1.91 0.82 0.06 3.97 1.51 0.50 -2.69 117.35 119.61 1x5m s TYR 35 Ca 0.15 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1x5m s TYR 35 Cb -0.06 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1x5m s TYR 35 CO 0.06 -0.64 0.02 0.42 -1.11 0.00 0.00 175.55 174.31 1x5m s ILE 36 N 1.93 4.20 -0.38 2.71 1.09 -1.00 -1.37 121.20 128.37 1x5m s ILE 36 Ca 0.02 -0.82 -0.19 0.00 -1.10 0.00 0.00 60.65 58.56 1x5m s ILE 36 Cb -0.17 -2.97 0.01 0.00 -1.06 0.00 0.00 42.46 38.27 1x5m s ILE 36 CO -0.13 0.19 0.58 -0.89 -0.10 0.00 0.00 174.94 174.59 1x5m s THR 37 N -1.27 4.94 -0.29 2.92 2.01 -1.26 -1.63 115.64 121.05 1x5m s THR 37 Ca 0.25 0.29 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 1x5m s THR 37 Cb -0.12 -4.07 0.13 0.00 0.01 0.00 0.00 72.50 68.45 1x5m s THR 37 CO 0.17 -0.36 0.26 -0.22 -0.69 0.00 0.00 174.62 173.78 1x5m s LEU 38 N 2.58 -0.05 -0.37 4.42 1.98 0.01 -4.96 118.68 122.29 1x5m s LEU 38 Ca 0.21 -0.92 -0.29 0.00 -2.89 0.00 0.00 54.13 50.24 1x5m s LEU 38 Cb -0.15 0.31 0.01 0.00 0.66 0.00 0.00 46.19 47.01 1x5m s LEU 38 CO 0.15 -0.40 1.36 -0.89 -1.89 0.00 0.00 176.35 174.69 1x5m s THR 39 N 2.26 4.00 0.00 3.68 2.01 -1.24 -2.59 115.64 123.75 1x5m s THR 39 Ca 0.10 1.06 0.00 0.00 0.31 0.00 0.00 61.69 63.16 1x5m s THR 39 Cb -0.14 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1x5m s THR 39 CO -0.33 -0.66 0.00 0.61 -0.69 0.00 0.00 174.62 173.55 1x5m n GLY 40 N 4.79 1.38 0.34 4.40 0.00 -1.26 -4.27 105.19 110.56 1x5m n GLY 40 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 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 0.35 -0.12 1.61 3.04 -1.85 1.52 116.25 120.80 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 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 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 -3.60 0.15 -0.01 3.17 1.44 -1.26 -3.46 115.22 111.65 1x5m n HIS 42 Ca 0.01 -0.07 0.02 0.00 -2.01 0.00 0.00 57.72 55.67 1x5m n HIS 42 Cb 0.33 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 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 0.10 0.60 -2.70 -1.40 6.02 0.51 -5.00 117.38 115.51 1x5m n GLN 43 Ca 0.16 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.78 1x5m n GLN 43 Cb 0.28 -1.16 -0.04 0.00 1.02 0.00 0.00 30.24 30.34 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 4.61 0.91 5.09 -7.23 -0.39 -5.06 120.40 115.92 1x5m s VAL 44 Ca -0.03 1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 61.05 1x5m s VAL 44 Cb 0.04 -3.69 0.14 0.00 0.56 0.00 0.00 36.38 33.42 1x5m s VAL 44 CO 0.27 -0.52 1.14 -2.16 -0.31 0.00 0.00 175.10 173.52 1x5m s PRO 45 N -3.73 1.14 0.00 4.82 0.04 -1.26 -4.92 135.00 131.10 1x5m s PRO 45 Ca 0.56 0.28 0.22 0.00 0.04 0.00 0.00 61.00 62.11 1x5m s PRO 45 Cb -0.10 -1.84 1.18 0.00 0.04 0.00 0.00 34.50 33.78 1x5m s PRO 45 CO 0.27 -2.19 1.71 -2.37 0.04 0.00 0.00 177.00 174.45 1x5m n THR 46 N -3.76 0.21 0.10 1.26 5.66 -1.26 -2.29 114.28 114.20 1x5m n THR 46 Ca 0.07 0.05 0.03 0.00 -3.05 0.00 0.00 64.05 61.15 1x5m n THR 46 Cb 0.59 -0.70 -0.01 0.00 -1.55 0.00 0.00 70.33 68.67 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 -3.22 114.58 114.55 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 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1x5m h GLU 47 CO 0.00 0.36 -0.70 0.09 0.07 0.00 0.00 179.01 178.83 1x5m n ASN 48 N -3.05 0.62 -4.24 3.06 3.02 -0.97 -4.66 115.26 109.04 1x5m n ASN 48 Ca -0.02 -0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 1x5m n ASN 48 Cb 0.75 0.36 -0.09 0.00 -0.61 0.00 0.00 39.78 40.18 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 -3.13 4.27 -0.29 2.41 1.01 -1.21 -0.22 120.40 123.25 1x5m s VAL 49 Ca 0.07 -1.61 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 1x5m s VAL 49 Cb 0.15 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.85 1x5m s VAL 49 CO 0.74 -0.66 -0.01 -1.10 0.00 0.00 0.00 175.10 174.07 1x5m s GLN 50 N 1.40 2.57 -0.04 2.72 -0.21 -0.46 -4.87 119.66 120.77 1x5m s GLN 50 Ca 0.05 -1.17 0.03 0.00 0.02 0.00 0.00 55.36 54.28 1x5m s GLN 50 Cb -0.25 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.61 1x5m s GLN 50 CO 0.01 -0.56 -0.12 0.54 -2.12 0.00 0.00 175.29 173.04 1x5m s VAL 51 N 1.29 1.03 -0.10 1.09 0.11 -1.26 0.19 120.40 122.75 1x5m s VAL 51 Ca -0.03 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 1x5m s VAL 51 Cb -0.19 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1x5m s VAL 51 CO -0.01 0.32 -0.20 -2.28 -3.33 0.00 0.00 175.10 169.60 1x5m s HIS 52 N 0.37 2.26 0.24 1.54 5.04 0.12 -4.96 115.29 119.90 1x5m s HIS 52 Ca -0.08 -1.00 -0.04 0.00 -1.54 0.00 0.00 55.06 52.41 1x5m s HIS 52 Cb -0.12 -1.56 -0.05 0.00 0.04 0.00 0.00 32.58 30.89 1x5m s HIS 52 CO 0.02 -0.45 0.47 -0.06 -2.34 0.00 0.00 174.74 172.39 1x5m s PHE 53 N 0.64 3.47 0.00 3.88 0.08 -1.26 -0.51 117.98 124.27 1x5m s PHE 53 Ca -0.13 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.47 1x5m s PHE 53 Cb -0.16 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1x5m s PHE 53 CO 0.04 0.28 0.00 0.25 -0.10 0.00 0.00 175.22 175.69 1x5m n THR 54 N -0.64 0.00 0.11 0.64 -2.24 -0.74 -4.90 114.28 106.51 1x5m n THR 54 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1x5m n THR 54 Cb 0.53 0.00 -0.14 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 0.30 -1.51 -0.78 4.11 -2.00 -3.36 114.58 111.34 1x5m h GLU 55 Ca 0.00 -0.52 -0.42 0.00 0.07 0.00 0.00 59.36 58.49 1x5m h GLU 55 Cb 0.00 0.19 -0.36 0.00 0.50 0.00 0.00 28.75 29.09 1x5m h GLU 55 CO 0.00 1.24 -1.07 0.54 0.07 0.00 0.00 179.01 179.79 1x5m n ARG 56 N -3.55 1.01 0.00 1.06 5.12 -1.26 0.25 116.66 119.29 1x5m n ARG 56 Ca -0.10 -3.11 0.00 0.00 -1.93 0.00 0.00 57.85 52.71 1x5m n ARG 56 Cb 1.04 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 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 0.21 0.00 -3.60 0.55 3.41 -1.26 -2.62 113.62 110.31 1x5m n SER 57 Ca 0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.79 1x5m n SER 57 Cb 0.69 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.48 -0.05 7.33 -0.12 -0.12 -1.79 117.98 120.76 1x5m s PHE 58 Ca 0.00 0.93 -0.01 0.00 -0.05 0.00 0.00 56.93 57.80 1x5m s PHE 58 Cb 0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1x5m s PHE 58 CO 0.00 -0.24 0.02 0.16 -0.05 0.00 0.00 175.22 175.12 1x5m s ASP 59 N 1.46 5.34 -0.10 1.98 -4.77 0.33 -0.33 116.67 120.57 1x5m s ASP 59 Ca -0.08 0.12 -0.03 0.00 -3.30 0.00 0.00 52.55 49.26 1x5m s ASP 59 Cb -0.04 -1.49 0.04 0.00 -1.09 0.00 0.00 42.92 40.35 1x5m s ASP 59 CO -0.14 0.33 0.07 -0.22 0.70 0.00 0.00 175.17 175.91 1x5m s LEU 60 N -1.24 0.25 0.10 2.11 0.20 0.55 0.11 118.68 120.76 1x5m s LEU 60 Ca 0.17 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 54.81 1x5m s LEU 60 Cb -0.12 -0.20 -0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1x5m s LEU 60 CO 0.07 -0.29 0.02 -0.22 -0.29 0.00 0.00 176.35 175.64 1x5m s LEU 61 N 2.15 3.54 -0.13 -0.68 1.98 0.51 0.75 118.68 126.80 1x5m s LEU 61 Ca 0.04 -0.16 -0.04 0.00 -2.89 0.00 0.00 54.13 51.08 1x5m s LEU 61 Cb -0.14 -2.25 0.06 0.00 0.66 0.00 0.00 46.19 44.53 1x5m s LEU 61 CO -0.06 0.16 0.18 -0.69 -1.89 0.00 0.00 176.35 174.06 1x5m s VAL 62 N -1.39 -0.28 0.33 1.68 1.01 0.20 -1.35 120.40 120.60 1x5m s VAL 62 Ca 0.27 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1x5m s VAL 62 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1x5m s VAL 62 CO 0.19 0.02 0.09 -0.54 0.00 0.00 0.00 175.10 174.86 1x5m s LYS 63 N 2.30 2.29 -0.01 2.72 1.02 0.70 0.63 119.74 129.40 1x5m s LYS 63 Ca 0.04 -1.58 -0.00 0.00 0.02 0.00 0.00 55.97 54.45 1x5m s LYS 63 Cb -0.13 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1x5m s LYS 63 CO -0.08 0.16 0.00 -1.71 -0.92 0.00 0.00 175.35 172.80 1x5m n ASN 64 N -1.07 -6.76 0.00 2.83 2.85 -1.25 -4.78 115.26 107.09 1x5m n ASN 64 Ca -0.04 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 54.96 1x5m n ASN 64 Cb 0.61 -1.67 0.00 0.00 1.24 0.00 0.00 39.78 39.97 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 1.50 0.00 -4.00 1.20 7.94 0.64 -4.78 117.00 119.50 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 0.40 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.35 1x5m n LEU 65 CO 0.01 0.00 2.41 -3.20 -1.11 0.00 0.00 177.39 175.50 1x5m n ASN 66 N 0.00 4.07 -1.07 1.96 2.85 -1.26 -4.09 115.26 117.72 1x5m n ASN 66 Ca 0.00 -2.85 -0.14 0.00 -0.11 0.00 0.00 54.58 51.48 1x5m n ASN 66 Cb 0.00 -1.65 -0.06 0.00 1.24 0.00 0.00 39.78 39.31 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 4.56 1.44 1.49 8.20 0.00 -1.26 -4.89 105.19 114.74 1x5m n GLY 67 Ca 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.35 0.26 -4.35 1.61 2.85 -1.26 -5.12 118.16 109.79 1x5m n LYS 68 Ca -0.14 -0.58 -0.19 0.00 -1.05 0.00 0.00 58.31 56.35 1x5m n LYS 68 Cb 0.49 0.78 -0.10 0.00 -0.65 0.00 0.00 35.03 35.55 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 -1.94 2.68 0.03 -5.58 0.01 -1.26 0.24 113.70 107.87 1x5m s SER 69 Ca 0.09 -0.99 0.03 0.00 1.31 0.00 0.00 55.95 56.38 1x5m s SER 69 Cb -0.01 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1x5m s SER 69 CO 0.02 -0.13 -0.09 -0.31 0.41 0.00 0.00 173.24 173.15 1x5m s TYR 70 N -2.77 0.75 0.01 2.43 1.51 0.20 0.18 117.35 119.66 1x5m s TYR 70 Ca 0.22 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1x5m s TYR 70 Cb -0.02 -0.45 -0.01 0.00 -0.11 0.00 0.00 41.96 41.37 1x5m s TYR 70 CO 0.07 -0.04 -0.11 -1.54 -1.11 0.00 0.00 175.55 172.83 1x5m s SER 71 N -1.23 1.24 -0.19 2.29 1.04 0.49 0.62 113.70 117.96 1x5m s SER 71 Ca -0.05 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1x5m s SER 71 Cb -0.08 -0.11 0.09 0.00 0.10 0.00 0.00 66.02 66.02 1x5m s SER 71 CO 0.01 0.07 0.38 -0.32 0.98 0.00 0.00 173.24 174.35 1x5m s MET 72 N -0.58 0.28 0.02 4.02 0.00 0.23 -1.30 119.30 121.97 1x5m s MET 72 Ca 0.02 0.92 0.02 0.00 0.00 0.00 0.00 55.69 56.65 1x5m s MET 72 Cb -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 34.83 34.93 1x5m s MET 72 CO 0.00 -0.30 -0.07 0.42 0.00 0.00 0.00 175.02 175.07 1x5m s ILE 73 N 2.56 0.56 -0.11 10.11 1.01 -1.26 0.21 121.20 134.28 1x5m s ILE 73 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1x5m s ILE 73 Cb -0.12 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1x5m s ILE 73 CO -0.12 -0.10 -0.11 0.68 0.00 0.00 0.00 174.94 175.29 1x5m s VAL 74 N -0.74 1.21 -0.09 2.92 -7.23 0.55 -4.97 120.40 112.04 1x5m s VAL 74 Ca -0.03 -0.44 0.04 0.00 -1.81 0.00 0.00 61.98 59.74 1x5m s VAL 74 Cb -0.06 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.72 1x5m s VAL 74 CO 0.00 0.39 -0.24 0.20 -0.31 0.00 0.00 175.10 175.14 1x5m s ASN 75 N 1.32 3.06 0.00 4.85 0.02 -1.26 -0.94 114.94 121.98 1x5m s ASN 75 Ca -0.01 -0.55 0.00 0.00 -1.02 0.00 0.00 52.86 51.28 1x5m s ASN 75 Cb -0.14 -1.32 0.00 0.00 0.02 0.00 0.00 41.25 39.81 1x5m s ASN 75 CO -0.05 0.17 0.00 0.59 0.02 0.00 0.00 177.10 177.83 1x5m n ASN 76 N 3.45 -1.67 -4.74 -1.22 3.02 -1.08 -4.84 115.26 108.18 1x5m n ASN 76 Ca -0.19 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.01 1x5m n ASN 76 Cb 0.53 -0.84 -0.08 0.00 -0.61 0.00 0.00 39.78 38.78 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 4.04 0.30 3.41 1.43 -1.17 -2.46 118.68 124.23 1x5m s LEU 77 Ca 0.00 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1x5m s LEU 77 Cb 0.00 -2.00 0.76 0.00 0.03 0.00 0.00 46.19 44.98 1x5m s LEU 77 CO 0.00 0.28 1.50 -0.11 0.23 0.00 0.00 176.35 178.25 1x5m n LEU 78 N 2.82 -0.09 -4.29 1.79 7.94 -1.20 -4.44 117.00 119.52 1x5m n LEU 78 Ca -0.18 1.62 -0.16 0.00 -1.11 0.00 0.00 56.01 56.18 1x5m n LEU 78 Cb 0.53 -0.60 -0.10 0.00 0.53 0.00 0.00 43.42 43.78 1x5m n LEU 78 CO 0.33 -1.65 -0.42 -0.54 -1.11 0.00 0.00 177.39 174.00 1x5m s LYS 79 N -5.92 1.18 0.84 1.96 -0.14 -1.26 -4.90 119.74 111.50 1x5m s LYS 79 Ca -0.12 -1.52 -0.12 0.00 -1.36 0.00 0.00 55.97 52.85 1x5m s LYS 79 Cb 0.28 -0.84 0.09 0.00 -1.68 0.00 0.00 37.83 35.68 1x5m s LYS 79 CO 0.74 0.12 1.11 -1.25 -0.76 0.00 0.00 175.35 175.32 1x5m s PRO 80 N -3.70 1.75 -0.02 -1.68 0.04 -1.26 -4.82 135.00 125.31 1x5m s PRO 80 Ca 0.19 0.51 -0.02 0.00 0.04 0.00 0.00 61.00 61.72 1x5m s PRO 80 Cb 0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1x5m s PRO 80 CO 0.03 -1.83 0.06 0.96 0.04 0.00 0.00 177.00 176.27 1x5m s ILE 81 N -3.20 0.02 -0.64 0.56 -5.25 0.14 -3.16 121.20 109.67 1x5m s ILE 81 Ca 0.62 -0.14 -0.28 0.00 -0.99 0.00 0.00 60.65 59.86 1x5m s ILE 81 Cb -0.15 -0.14 0.02 0.00 2.95 0.00 0.00 42.46 45.15 1x5m s ILE 81 CO 0.54 -0.08 1.30 -0.44 -1.79 0.00 0.00 174.94 174.47 1x5m s SER 82 N -0.21 6.22 0.08 4.36 0.01 -0.71 -4.20 113.70 119.25 1x5m s SER 82 Ca -0.03 -0.07 -0.29 0.00 1.31 0.00 0.00 55.95 56.88 1x5m s SER 82 Cb -0.02 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.53 1x5m s SER 82 CO 0.00 -1.71 1.46 0.58 0.41 0.00 0.00 173.24 173.98 1x5m h VAL 83 N 6.18 0.00 -0.94 3.43 2.07 -1.89 2.04 116.25 127.14 1x5m h VAL 83 Ca -0.27 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.43 1x5m h VAL 83 Cb 1.07 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.67 1x5m h VAL 83 CO 1.22 0.00 -0.28 -0.62 0.02 0.00 0.00 177.57 177.91 1x5m n GLU 84 N -4.94 -0.13 0.11 1.57 1.02 -1.26 0.20 120.64 117.21 1x5m n GLU 84 Ca -0.07 1.46 -0.03 0.00 -0.02 0.00 0.00 57.16 58.49 1x5m n GLU 84 Cb 0.34 -2.17 0.10 0.00 -0.02 0.00 0.00 31.44 29.69 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 0.05 -2.62 0.62 0.00 -1.72 -3.45 103.07 95.94 1x5m h GLY 85 Ca 0.41 -0.08 -0.56 0.00 0.00 0.00 0.00 47.33 47.10 1x5m h GLY 85 CO -0.96 0.07 -0.37 1.44 0.00 0.00 0.00 176.54 176.72 1x5m n SER 86 N -3.72 -1.09 -3.56 0.19 7.64 0.68 -4.65 113.62 109.12 1x5m n SER 86 Ca -0.01 0.61 -0.11 0.00 1.01 0.00 0.00 58.87 60.36 1x5m n SER 86 Cb 0.69 -1.22 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 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 -1.46 -0.40 0.02 6.43 1.04 0.00 -4.92 113.70 114.42 1x5m s SER 87 Ca 0.66 -0.20 0.08 0.00 0.48 0.00 0.00 55.95 56.97 1x5m s SER 87 Cb -0.36 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 1x5m s SER 87 CO 0.57 -0.96 -0.24 -0.75 0.98 0.00 0.00 173.24 172.85 1x5m s LYS 88 N -3.79 1.72 0.11 4.02 2.36 -1.26 0.08 119.74 122.98 1x5m s LYS 88 Ca 0.03 -0.95 0.01 0.00 -2.55 0.00 0.00 55.97 52.51 1x5m s LYS 88 Cb -0.00 -1.78 -0.04 0.00 -1.05 0.00 0.00 37.83 34.95 1x5m s LYS 88 CO -0.10 0.47 -0.02 0.15 1.55 0.00 0.00 175.35 177.39 1x5m s LYS 89 N -0.94 0.87 -0.04 4.03 1.02 0.02 -4.89 119.74 119.82 1x5m s LYS 89 Ca 0.09 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.72 1x5m s LYS 89 Cb -0.09 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.17 1x5m s LYS 89 CO 0.01 -0.10 -0.04 0.08 -0.92 0.00 0.00 175.35 174.38 1x5m s VAL 90 N -3.76 0.48 0.45 3.17 1.01 -1.26 0.23 120.40 120.72 1x5m s VAL 90 Ca 0.16 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1x5m s VAL 90 Cb 0.06 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.96 1x5m s VAL 90 CO -0.03 0.21 0.22 2.29 0.00 0.00 0.00 175.10 177.79 1x5m n LYS 91 N 3.98 0.86 -1.70 2.72 2.85 0.58 -4.85 118.16 122.60 1x5m n LYS 91 Ca -0.25 -2.98 -0.42 0.00 -1.05 0.00 0.00 58.31 53.61 1x5m n LYS 91 Cb 0.51 0.50 -0.03 0.00 -0.65 0.00 0.00 35.03 35.36 1x5m n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1x5m s THR 92 N -2.39 3.07 -0.61 0.58 2.01 -1.26 -1.62 115.64 115.43 1x5m s THR 92 Ca 0.17 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 1x5m s THR 92 Cb -0.01 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1x5m s THR 92 CO 0.11 -0.01 0.04 -0.90 -0.69 0.00 0.00 174.62 173.17 1x5m n ASP 93 N 7.99 -2.55 -3.71 3.53 5.68 -1.26 -4.87 116.55 121.36 1x5m n ASP 93 Ca 0.21 0.27 -0.14 0.00 -0.50 0.00 0.00 54.79 54.63 1x5m n ASP 93 Cb 0.42 -2.23 -0.09 0.00 -1.14 0.00 0.00 41.12 38.07 1x5m n ASP 93 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1x5m s THR 94 N -2.37 0.02 -0.13 2.12 2.01 -0.64 -0.80 115.64 115.84 1x5m s THR 94 Ca 0.04 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1x5m s THR 94 Cb -0.02 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1x5m s THR 94 CO 0.05 -0.07 -0.08 0.54 -0.69 0.00 0.00 174.62 174.37 1x5m s VAL 95 N -0.36 3.52 -0.04 3.82 0.11 -0.65 0.22 120.40 127.02 1x5m s VAL 95 Ca -0.05 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 1x5m s VAL 95 Cb -0.03 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 1x5m s VAL 95 CO 0.03 0.52 0.10 -0.76 -3.33 0.00 0.00 175.10 171.66 1x5m s LEU 96 N 0.18 4.05 -0.40 2.54 1.43 0.61 -2.38 118.68 124.70 1x5m s LEU 96 Ca -0.04 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 1x5m s LEU 96 Cb -0.14 -2.24 0.13 0.00 0.03 0.00 0.00 46.19 43.97 1x5m s LEU 96 CO 0.04 0.31 0.22 -0.63 0.23 0.00 0.00 176.35 176.52 1x5m s ILE 97 N -1.14 0.98 -0.19 -0.59 -1.09 -1.09 -0.80 121.20 117.27 1x5m s ILE 97 Ca 0.21 -2.22 -0.29 0.00 -2.23 0.00 0.00 60.65 56.11 1x5m s ILE 97 Cb -0.12 -1.69 -0.01 0.00 -1.58 0.00 0.00 42.46 39.06 1x5m s ILE 97 CO 0.11 -0.91 1.23 -0.76 -1.23 0.00 0.00 174.94 173.38 1x5m s LEU 98 N 0.65 4.13 -0.32 2.97 1.43 0.11 -2.67 118.68 124.98 1x5m s LEU 98 Ca 0.17 1.58 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 1x5m s LEU 98 Cb -0.24 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.53 1x5m s LEU 98 CO -0.01 -0.79 0.01 0.00 0.23 0.00 0.00 176.35 175.79 1x5m n ARG 100 N 4.32 1.22 -3.36 0.00 5.12 -1.26 -1.40 116.66 121.29 1x5m n ARG 100 Ca -0.02 0.46 -0.29 0.00 -1.93 0.00 0.00 57.85 56.07 1x5m n ARG 100 Cb 0.42 -2.32 -0.03 0.00 -1.16 0.00 0.00 32.46 29.36 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 -2.79 3.65 0.06 5.56 1.02 -1.26 -1.75 119.74 124.23 1x5m s LYS 101 Ca 0.74 0.03 0.18 0.00 0.02 0.00 0.00 55.97 56.93 1x5m s LYS 101 Cb -0.43 -2.66 -0.14 0.00 -0.52 0.00 0.00 37.83 34.09 1x5m s LYS 101 CO 0.48 0.24 0.79 1.17 -0.92 0.00 0.00 175.35 177.10 1x5m n LYS 102 N -0.80 0.62 -3.59 1.68 4.81 -1.19 -4.19 118.16 115.50 1x5m n LYS 102 Ca -0.02 0.18 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1x5m n LYS 102 Cb 0.54 -1.78 -0.09 0.00 0.02 0.00 0.00 35.03 33.72 1x5m n LYS 102 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1x5m s VAL 103 N -2.98 -0.67 1.27 3.15 0.11 -1.26 -5.03 120.40 114.99 1x5m s VAL 103 Ca -0.03 0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 1x5m s VAL 103 Cb 0.09 -0.72 0.32 0.00 -1.53 0.00 0.00 36.38 34.54 1x5m s VAL 103 CO 0.82 0.03 0.99 -1.61 -3.33 0.00 0.00 175.10 172.00 1x5m s GLU 104 N 2.62 -1.75 -1.26 1.54 8.01 -1.26 -3.95 118.70 122.65 1x5m s GLU 104 Ca 0.01 0.53 -0.01 0.00 0.01 0.00 0.00 54.97 55.51 1x5m s GLU 104 Cb -0.13 -1.48 -0.00 0.00 -4.31 0.00 0.00 34.13 28.21 1x5m s GLU 104 CO -0.14 -4.19 0.79 0.09 0.01 0.00 0.00 175.26 171.82 1x5m n ASN 105 N -5.20 -1.80 -3.58 -0.19 3.02 -1.26 -4.95 115.26 101.29 1x5m n ASN 105 Ca 0.06 -0.77 -0.28 0.00 -0.03 0.00 0.00 54.58 53.56 1x5m n ASN 105 Cb 0.57 -4.35 -0.15 0.00 -0.61 0.00 0.00 39.78 35.23 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 -3.57 0.03 0.58 3.41 2.01 -1.25 -5.07 115.64 111.77 1x5m s THR 106 Ca 0.04 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 1x5m s THR 106 Cb -0.01 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1x5m s THR 106 CO 0.79 -0.63 1.10 -0.60 -0.69 0.00 0.00 174.62 174.59 1x5m s ARG 107 N 2.06 3.24 -0.39 4.92 3.52 -1.26 -4.69 118.95 126.35 1x5m s ARG 107 Ca 0.07 1.45 0.01 0.00 -0.13 0.00 0.00 55.73 57.13 1x5m s ARG 107 Cb -0.16 -2.01 0.11 0.00 -1.56 0.00 0.00 34.95 31.33 1x5m s ARG 107 CO -0.30 -0.91 0.14 -1.58 -0.81 0.00 0.00 175.30 171.84 1x5m s TRP 108 N -2.08 3.65 -0.56 5.12 0.52 -1.26 -4.92 118.94 119.42 1x5m s TRP 108 Ca 0.69 -2.75 0.19 0.00 0.02 0.00 0.00 56.10 54.25 1x5m s TRP 108 Cb -0.21 -3.06 0.87 0.00 -1.15 0.00 0.00 33.47 29.92 1x5m s TRP 108 CO 0.32 -0.95 1.60 -0.25 0.02 0.00 0.00 176.95 177.69 1x5m n ASP 109 N 4.32 0.47 -3.50 2.95 8.00 -1.26 -4.73 116.55 122.80 1x5m n ASP 109 Ca 0.01 0.64 -0.14 0.00 0.71 0.00 0.00 54.79 56.02 1x5m n ASP 109 Cb 0.41 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 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 -3.28 -0.55 0.27 1.24 2.02 -1.26 -4.94 117.35 110.85 1x5m s TYR 110 Ca 0.03 0.72 0.01 0.00 -0.37 0.00 0.00 57.07 57.46 1x5m s TYR 110 Cb 0.08 0.47 0.37 0.00 -0.40 0.00 0.00 41.96 42.49 1x5m s TYR 110 CO 0.29 -0.64 1.72 1.25 -1.57 0.00 0.00 175.55 176.61 1x5m h LEU 111 N 2.53 0.59 -8.16 -1.29 6.46 -1.95 -3.38 115.31 110.11 1x5m h LEU 111 Ca -0.27 -0.18 -0.22 0.00 -0.12 0.00 0.00 57.88 57.09 1x5m h LEU 111 Cb 1.20 -0.16 -0.19 0.00 -0.73 0.00 0.00 40.66 40.78 1x5m h LEU 111 CO 0.37 0.78 -0.71 0.42 -0.62 0.00 0.00 178.44 178.67 1x5m s THR 112 N -4.64 0.39 0.26 1.05 -4.23 -1.26 -3.28 115.64 103.94 1x5m s THR 112 Ca -0.08 -1.24 -0.03 0.00 -1.18 0.00 0.00 61.69 59.16 1x5m s THR 112 Cb 0.14 -0.77 0.27 0.00 1.34 0.00 0.00 72.50 73.48 1x5m s THR 112 CO 0.80 -0.56 1.90 1.56 -0.54 0.00 0.00 174.62 177.77 1x5m h GLN 113 N 4.16 1.20 -0.84 3.99 4.20 -1.73 -2.76 115.11 123.33 1x5m h GLN 113 Ca -0.34 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.37 1x5m h GLN 113 Cb 1.19 -0.27 -0.10 0.00 0.30 0.00 0.00 27.48 28.60 1x5m h GLN 113 CO 0.47 0.79 -0.50 -0.24 -0.67 0.00 0.00 178.83 178.69 1x5m h VAL 114 N 1.24 0.00 -0.37 -0.54 3.04 -1.90 0.61 116.25 118.33 1x5m h VAL 114 Ca 0.41 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 66.18 1x5m h VAL 114 Cb 0.07 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.26 1x5m h VAL 114 CO -0.15 0.00 -0.28 -0.08 -1.01 0.00 0.00 177.57 176.05 1x5m h GLU 115 N -0.00 -0.22 0.02 4.17 4.81 -1.88 0.60 114.58 122.07 1x5m h GLU 115 Ca 0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1x5m h GLU 115 Cb 0.34 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1x5m h GLU 115 CO -0.79 -0.15 -0.13 -0.22 -0.73 0.00 0.00 179.01 177.00 1x5m h LYS 116 N -0.23 -0.17 -0.76 1.92 3.64 -0.44 0.71 116.57 121.25 1x5m h LYS 116 Ca 0.17 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.72 1x5m h LYS 116 Cb 0.51 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.22 1x5m h LYS 116 CO -0.50 -0.11 -0.16 0.93 -2.27 0.00 0.00 179.45 177.34 1x5m h GLU 117 N -0.17 0.01 0.07 1.90 4.39 0.42 0.58 114.58 121.78 1x5m h GLU 117 Ca -0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x5m h GLU 117 Cb 0.18 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1x5m h GLU 117 CO -0.07 0.01 -0.10 0.00 -1.16 0.00 0.00 179.01 177.69 1x5m h LYS 119 N -0.18 0.04 0.00 0.00 6.56 0.15 -3.40 116.57 119.73 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 0.16 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1x5m h LYS 119 CO -0.03 0.03 0.00 0.39 -2.06 0.00 0.00 179.45 177.78 1x5m n GLU 120 N -5.47 0.44 -0.94 3.15 -0.58 0.19 -4.75 120.64 112.69 1x5m n GLU 120 Ca 0.19 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.05 1x5m n GLU 120 Cb 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.45 1x5m n GLU 120 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1x5m n LYS 121 N -0.94 -1.89 -1.67 3.49 4.01 -1.23 -4.64 118.16 115.30 1x5m n LYS 121 Ca 0.00 1.24 -0.54 0.00 -0.51 0.00 0.00 58.31 58.51 1x5m n LYS 121 Cb 0.00 -2.30 -0.06 0.00 -0.51 0.00 0.00 35.03 32.16 1x5m n LYS 121 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x5m n SER 122 N -3.52 2.38 -3.65 4.39 7.64 -1.26 -4.91 113.62 114.70 1x5m n SER 122 Ca 0.01 1.07 -0.01 0.00 1.01 0.00 0.00 58.87 60.95 1x5m n SER 122 Cb 0.43 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.37 1x5m n SER 122 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5m s GLY 123 N 2.48 0.15 -0.03 0.23 0.00 -1.26 -5.04 107.32 103.85 1x5m s GLY 123 Ca 0.92 2.98 -0.23 0.00 0.00 0.00 0.00 44.72 48.39 1x5m s GLY 123 CO 0.56 1.20 1.08 -0.56 0.00 0.00 0.00 173.10 175.38 1x5m h PRO 124 N 2.12 0.23 0.00 2.90 0.13 -1.95 -3.48 132.00 131.94 1x5m h PRO 124 Ca -0.09 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1x5m h PRO 124 Cb 1.19 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x5m h PRO 124 CO 0.21 0.92 0.00 0.45 -0.23 0.00 0.00 178.00 179.35 1x5m n SER 125 N -4.47 0.00 -4.71 1.44 2.88 -1.26 -5.13 113.62 102.36 1x5m n SER 125 Ca -0.09 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.02 1x5m n SER 125 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1x5m n SER 125 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5m n SER 126 N 0.00 3.86 0.00 -3.46 3.41 -1.26 -5.09 113.62 111.07 1x5m n SER 126 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1x5m n SER 126 Cb 0.00 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1x5m n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49