#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1on4 s MET 2 N 0.00 4.12 -0.42 -0.41 1.75 -1.26 -5.05 119.30 118.04 1on4 s MET 2 Ca 0.00 0.68 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 1on4 s MET 2 Cb 0.00 -2.96 0.22 0.00 2.84 0.00 0.00 34.83 34.93 1on4 s MET 2 CO 0.00 0.47 0.53 -0.11 -0.65 0.00 0.00 175.02 175.26 1on4 n LEU 3 N 0.91 -0.77 -0.65 4.11 -0.00 -1.26 -5.07 117.00 114.27 1on4 n LEU 3 Ca -0.05 -4.25 0.00 0.00 -0.00 0.00 0.00 56.01 51.71 1on4 n LEU 3 Cb 0.51 0.65 0.00 0.00 -0.00 0.00 0.00 43.42 44.58 1on4 n LEU 3 CO 0.43 1.98 -0.19 1.21 -0.00 0.00 0.00 177.39 180.82 1on4 n GLU 4 N 2.04 -1.84 -0.99 1.96 2.13 -1.26 -4.40 120.64 118.28 1on4 n GLU 4 Ca 0.22 1.38 -0.12 0.00 0.66 0.00 0.00 57.16 59.30 1on4 n GLU 4 Cb 0.53 -1.59 -0.15 0.00 0.27 0.00 0.00 31.44 30.50 1on4 n GLU 4 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1on4 n ILE 5 N -1.19 2.94 0.00 6.31 2.08 -1.26 -4.07 119.36 124.17 1on4 n ILE 5 Ca 0.00 -1.50 0.00 0.00 0.56 0.00 0.00 62.75 61.81 1on4 n ILE 5 Cb 0.05 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.00 1on4 n ILE 5 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1on4 n LYS 6 N 2.33 0.00 -1.66 0.38 3.00 -1.26 -5.17 118.16 115.77 1on4 n LYS 6 Ca 0.40 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.31 1on4 n LYS 6 Cb 0.87 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.92 1on4 n LYS 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1on4 n ASP 7 N 0.00 1.89 -4.56 3.14 -0.08 -1.26 -4.91 116.55 110.78 1on4 n ASP 7 Ca 0.00 1.03 -0.42 0.00 -1.51 0.00 0.00 54.79 53.89 1on4 n ASP 7 Cb 0.00 -1.44 -0.02 0.00 2.34 0.00 0.00 41.12 42.00 1on4 n ASP 7 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1on4 s PRO 8 N -2.29 3.76 1.22 -0.67 0.04 -1.26 -4.73 135.00 131.06 1on4 s PRO 8 Ca 0.65 -1.54 -0.17 0.00 0.04 0.00 0.00 61.00 59.98 1on4 s PRO 8 Cb -0.50 -5.39 0.29 0.00 0.04 0.00 0.00 34.50 28.94 1on4 s PRO 8 CO 0.55 -2.18 1.04 -0.48 0.04 0.00 0.00 177.00 175.96 1on4 s LEU 9 N 4.43 0.40 -0.37 -3.56 2.34 -1.14 -4.97 118.68 115.80 1on4 s LEU 9 Ca 0.48 1.02 0.12 0.00 0.06 0.00 0.00 54.13 55.81 1on4 s LEU 9 Cb 0.01 -2.80 0.36 0.00 -0.56 0.00 0.00 46.19 43.20 1on4 s LEU 9 CO -0.03 -4.30 0.80 0.59 -1.06 0.00 0.00 176.35 172.35 1on4 n ASN 10 N -4.93 0.56 -4.56 1.48 5.03 -1.01 -3.94 115.26 107.88 1on4 n ASN 10 Ca 0.08 -3.03 -0.42 0.00 0.87 0.00 0.00 54.58 52.08 1on4 n ASN 10 Cb 0.58 -0.34 -0.02 0.00 -1.02 0.00 0.00 39.78 38.98 1on4 n ASN 10 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1on4 s TYR 11 N -2.22 2.65 -0.54 3.10 6.14 -0.33 -4.65 117.35 121.50 1on4 s TYR 11 Ca 0.36 -1.18 -0.28 0.00 0.64 0.00 0.00 57.07 56.61 1on4 s TYR 11 Cb 0.36 -4.71 0.02 0.00 0.42 0.00 0.00 41.96 38.05 1on4 s TYR 11 CO -0.06 -1.87 1.29 -2.00 0.64 0.00 0.00 175.55 173.54 1on4 s GLU 12 N 4.60 3.47 -0.00 4.97 2.12 -1.26 -1.17 118.70 131.42 1on4 s GLU 12 Ca 0.49 0.43 -0.21 0.00 0.36 0.00 0.00 54.97 56.04 1on4 s GLU 12 Cb 0.01 -4.04 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1on4 s GLU 12 CO -0.03 -1.73 0.63 0.14 -0.54 0.00 0.00 175.26 173.73 1on4 s VAL 13 N 5.34 4.90 0.27 3.70 -7.23 0.07 -4.63 120.40 122.82 1on4 s VAL 13 Ca 0.49 1.31 -0.31 0.00 -1.81 0.00 0.00 61.98 61.67 1on4 s VAL 13 Cb -0.09 -3.97 -0.12 0.00 0.56 0.00 0.00 36.38 32.76 1on4 s VAL 13 CO 0.27 0.39 1.62 -0.62 -0.31 0.00 0.00 175.10 176.45 1on4 n GLU 14 N 2.84 2.69 -1.58 4.82 -0.58 -1.26 -4.88 120.64 122.69 1on4 n GLU 14 Ca -0.06 0.96 -0.47 0.00 -0.42 0.00 0.00 57.16 57.17 1on4 n GLU 14 Cb 0.51 -2.75 -0.03 0.00 -0.57 0.00 0.00 31.44 28.60 1on4 n GLU 14 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1on4 n PRO 15 N 2.56 1.26 -3.75 3.49 -0.02 -1.26 -4.93 135.00 132.35 1on4 n PRO 15 Ca 0.10 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1on4 n PRO 15 Cb 0.36 -1.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1on4 n PRO 15 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1on4 s PHE 16 N -0.52 -0.04 -0.04 6.00 5.36 -1.26 -4.99 117.98 122.49 1on4 s PHE 16 Ca 0.67 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 56.50 1on4 s PHE 16 Cb -0.78 0.61 -0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1on4 s PHE 16 CO 0.55 -0.57 -0.17 0.99 -1.46 0.00 0.00 175.22 174.57 1on4 s THR 17 N -2.60 1.37 0.26 0.12 2.01 -1.26 -1.59 115.64 113.96 1on4 s THR 17 Ca 0.17 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1on4 s THR 17 Cb 0.01 -1.18 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 1on4 s THR 17 CO 0.00 0.40 0.03 -0.36 -0.69 0.00 0.00 174.62 174.00 1on4 s PHE 18 N -0.00 1.69 -0.14 4.92 0.08 0.30 -4.99 117.98 119.84 1on4 s PHE 18 Ca -0.02 -0.97 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 1on4 s PHE 18 Cb -0.11 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.29 1on4 s PHE 18 CO 0.02 -0.06 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.38 1on4 s GLN 19 N -3.89 3.49 0.84 0.44 -0.21 -1.26 -0.80 119.66 118.26 1on4 s GLN 19 Ca 0.32 -0.53 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1on4 s GLN 19 Cb 0.07 -2.84 0.14 0.00 1.00 0.00 0.00 33.01 31.38 1on4 s GLN 19 CO 0.12 0.33 1.18 0.54 -2.12 0.00 0.00 175.29 175.33 1on4 s ASN 20 N 0.12 3.91 0.66 5.90 4.22 0.13 -0.89 114.94 129.00 1on4 s ASN 20 Ca -0.01 0.29 0.43 0.00 -2.14 0.00 0.00 52.86 51.43 1on4 s ASN 20 Cb -0.14 -0.59 2.37 0.00 1.28 0.00 0.00 41.25 44.18 1on4 s ASN 20 CO 0.03 -2.21 2.36 0.06 -2.04 0.00 0.00 177.10 175.30 1on4 h GLN 21 N -1.14 0.00 -0.00 3.55 -0.00 -0.75 0.51 115.11 117.28 1on4 h GLN 21 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 1on4 h GLN 21 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1on4 h GLN 21 CO 0.48 0.00 -0.10 -3.47 -0.00 0.00 0.00 178.83 175.74 1on4 n ASP 22 N -3.17 0.25 -0.60 0.06 2.03 -1.26 -4.90 116.55 108.96 1on4 n ASP 22 Ca -0.03 -0.22 -0.07 0.00 0.52 0.00 0.00 54.79 54.99 1on4 n ASP 22 Cb 0.07 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 1on4 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1on4 n GLY 23 N 1.34 0.86 3.76 0.27 0.00 0.17 -5.02 105.19 106.58 1on4 n GLY 23 Ca 0.12 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1on4 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1on4 s LYS 24 N -2.81 4.26 -0.04 1.61 1.02 -1.25 -4.85 119.74 117.67 1on4 s LYS 24 Ca 0.00 0.59 -0.30 0.00 0.02 0.00 0.00 55.97 56.28 1on4 s LYS 24 Cb 0.00 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1on4 s LYS 24 CO 0.00 0.36 1.11 -0.80 -0.92 0.00 0.00 175.35 175.10 1on4 s ASN 25 N -0.09 7.16 -0.01 2.83 0.01 -1.26 -0.69 114.94 122.88 1on4 s ASN 25 Ca 0.28 1.75 0.02 0.00 -0.71 0.00 0.00 52.86 54.20 1on4 s ASN 25 Cb -0.17 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1on4 s ASN 25 CO 0.14 -0.47 -0.07 0.68 -1.51 0.00 0.00 177.10 175.87 1on4 s VAL 26 N 1.75 0.56 0.36 1.60 -7.23 0.02 -4.96 120.40 112.51 1on4 s VAL 26 Ca 0.54 -0.26 0.08 0.00 -1.81 0.00 0.00 61.98 60.53 1on4 s VAL 26 Cb -0.23 -0.50 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 1on4 s VAL 26 CO 0.23 0.18 0.07 -0.44 -0.31 0.00 0.00 175.10 174.83 1on4 s SER 27 N 0.09 4.28 0.39 4.85 0.01 -1.26 -0.54 113.70 121.52 1on4 s SER 27 Ca -0.01 -1.02 0.12 0.00 1.31 0.00 0.00 55.95 56.36 1on4 s SER 27 Cb -0.06 -0.53 0.93 0.00 0.21 0.00 0.00 66.02 66.57 1on4 s SER 27 CO -0.00 -0.34 1.89 0.25 0.41 0.00 0.00 173.24 175.45 1on4 h LEU 28 N 1.68 0.53 -2.14 2.44 5.85 -1.65 0.10 115.31 122.12 1on4 h LEU 28 Ca -0.43 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1on4 h LEU 28 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1on4 h LEU 28 CO 0.68 0.27 0.27 -0.33 -0.34 0.00 0.00 178.44 178.99 1on4 h GLU 29 N 0.56 0.00 0.00 1.25 3.07 -1.90 0.54 114.58 118.10 1on4 h GLU 29 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1on4 h GLU 29 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1on4 h GLU 29 CO -0.17 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.87 1on4 n SER 30 N -3.86 0.00 0.00 1.42 7.64 0.36 -3.76 113.62 115.42 1on4 n SER 30 Ca 0.03 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1on4 n SER 30 Cb 0.41 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1on4 n SER 30 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1on4 n LEU 31 N -1.33 0.00 -4.65 -3.43 4.77 0.68 -4.99 117.00 108.05 1on4 n LEU 31 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 1on4 n LEU 31 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1on4 n LEU 31 CO 0.12 0.00 1.13 -0.75 -1.33 0.00 0.00 177.39 176.56 1on4 s LYS 32 N -0.67 4.14 0.00 3.23 2.20 0.16 -0.78 119.74 128.01 1on4 s LYS 32 Ca 0.00 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.22 1on4 s LYS 32 Cb 0.00 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.50 1on4 s LYS 32 CO 0.00 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1on4 n GLY 33 N 3.86 0.58 3.76 5.54 0.00 0.98 -4.90 105.19 115.01 1on4 n GLY 33 Ca 0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1on4 n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1on4 s GLU 34 N 0.00 2.77 -1.19 1.61 8.01 0.04 -4.67 118.70 125.27 1on4 s GLU 34 Ca 0.00 -0.93 -0.08 0.00 0.01 0.00 0.00 54.97 53.96 1on4 s GLU 34 Cb 0.00 -2.57 0.22 0.00 -4.31 0.00 0.00 34.13 27.47 1on4 s GLU 34 CO 0.00 0.48 1.61 1.55 0.01 0.00 0.00 175.26 178.91 1on4 n VAL 35 N -0.29 4.65 -2.84 2.63 3.14 -1.26 -3.67 118.33 120.69 1on4 n VAL 35 Ca -0.09 -5.01 -0.36 0.00 -2.96 0.00 0.00 64.34 55.92 1on4 n VAL 35 Cb 0.55 -2.32 -0.06 0.00 -1.06 0.00 0.00 33.84 30.95 1on4 n VAL 35 CO 0.00 0.00 0.00 -1.66 -6.46 0.00 0.00 176.83 168.71 1on4 s TRP 36 N -0.54 3.60 0.31 1.45 1.48 -1.03 -4.77 118.94 119.44 1on4 s TRP 36 Ca 0.37 1.68 -0.04 0.00 -1.06 0.00 0.00 56.10 57.05 1on4 s TRP 36 Cb 0.04 -2.86 -0.05 0.00 -1.16 0.00 0.00 33.47 29.45 1on4 s TRP 36 CO 0.03 0.16 0.56 -0.51 -4.06 0.00 0.00 176.95 173.12 1on4 s LEU 37 N -2.30 4.03 -0.03 -4.66 1.43 -0.75 -0.30 118.68 116.10 1on4 s LEU 37 Ca 0.52 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1on4 s LEU 37 Cb -0.16 -3.48 0.02 0.00 0.03 0.00 0.00 46.19 42.60 1on4 s LEU 37 CO 0.21 -0.23 -0.01 0.00 0.23 0.00 0.00 176.35 176.55 1on4 s ALA 38 N -2.16 0.34 0.48 4.21 0.00 0.17 -0.28 121.76 124.53 1on4 s ALA 38 Ca 0.43 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1on4 s ALA 38 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1on4 s ALA 38 CO 0.32 -0.04 0.17 0.16 0.00 0.00 0.00 175.76 176.37 1on4 s ASP 39 N 0.83 4.33 -0.45 0.00 1.47 -0.81 -0.52 116.67 121.52 1on4 s ASP 39 Ca -0.09 -1.34 0.06 0.00 1.18 0.00 0.00 52.55 52.36 1on4 s ASP 39 Cb -0.12 0.11 0.18 0.00 -0.34 0.00 0.00 42.92 42.75 1on4 s ASP 39 CO -0.01 -0.79 0.58 0.72 0.68 0.00 0.00 175.17 176.34 1on4 s PHE 40 N -2.75 -0.95 0.25 2.11 -0.71 -1.26 -3.97 117.98 110.69 1on4 s PHE 40 Ca 0.27 -0.73 0.09 0.00 -1.04 0.00 0.00 56.93 55.52 1on4 s PHE 40 Cb 0.02 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1on4 s PHE 40 CO 0.15 -1.13 0.04 0.96 -1.34 0.00 0.00 175.22 173.90 1on4 s ILE 41 N 1.06 3.69 0.07 -4.49 -5.25 -1.26 -4.87 121.20 110.15 1on4 s ILE 41 Ca 0.25 -1.72 0.09 0.00 -0.99 0.00 0.00 60.65 58.28 1on4 s ILE 41 Cb -0.03 -2.96 -0.03 0.00 2.95 0.00 0.00 42.46 42.39 1on4 s ILE 41 CO -0.07 -0.32 -0.25 0.72 -1.79 0.00 0.00 174.94 173.23 1on4 s PHE 42 N -2.17 2.17 0.34 1.37 -0.71 -1.26 -1.74 117.98 115.98 1on4 s PHE 42 Ca 0.31 -0.40 0.02 0.00 -1.04 0.00 0.00 56.93 55.82 1on4 s PHE 42 Cb -0.07 -1.26 0.02 0.00 -1.21 0.00 0.00 43.02 40.50 1on4 s PHE 42 CO 0.21 0.18 0.16 0.25 -1.34 0.00 0.00 175.22 174.68 1on4 n THR 43 N 1.50 0.00 -3.45 -4.49 -2.24 -1.26 -4.86 114.28 99.48 1on4 n THR 43 Ca -0.17 -1.43 -0.19 0.00 -2.27 0.00 0.00 64.05 59.99 1on4 n THR 43 Cb 0.53 -0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.83 1on4 n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1on4 n ASN 44 N -1.63 -3.56 -4.56 3.42 5.15 -1.26 -5.02 115.26 107.80 1on4 n ASN 44 Ca -0.06 -0.57 -0.27 0.00 -0.60 0.00 0.00 54.58 53.08 1on4 n ASN 44 Cb 0.40 -4.96 0.12 0.00 -0.53 0.00 0.00 39.78 34.82 1on4 n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1on4 h GLU 46 N -0.96 -0.07 -1.59 0.00 4.81 -2.03 -3.44 114.58 111.31 1on4 h GLU 46 Ca -0.42 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 58.91 1on4 h GLU 46 Cb 1.27 0.02 -0.26 0.00 0.63 0.00 0.00 28.75 30.40 1on4 h GLU 46 CO 0.46 -0.05 0.36 -0.08 -0.73 0.00 0.00 179.01 178.98 1on4 s THR 47 N -6.18 0.00 0.69 0.32 -1.32 -1.26 -5.17 115.64 102.72 1on4 s THR 47 Ca -0.14 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.21 1on4 s THR 47 Cb 0.14 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 1on4 s THR 47 CO 0.70 0.00 1.08 0.27 -2.21 0.00 0.00 174.62 174.46 1on4 s ILE 48 N 1.19 3.65 0.09 5.08 -5.25 -1.26 -4.89 121.20 119.81 1on4 s ILE 48 Ca -0.07 0.63 0.00 0.00 -0.99 0.00 0.00 60.65 60.22 1on4 s ILE 48 Cb -0.04 -3.21 0.00 0.00 2.95 0.00 0.00 42.46 42.16 1on4 s ILE 48 CO -0.14 -0.61 0.00 0.00 -1.79 0.00 0.00 174.94 172.40 1on4 s PRO 50 N -2.00 2.55 -0.49 0.00 0.04 -1.26 -4.92 135.00 128.91 1on4 s PRO 50 Ca 0.00 1.34 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 1on4 s PRO 50 Cb 0.00 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1on4 s PRO 50 CO 0.00 -1.44 1.81 -1.25 0.04 0.00 0.00 177.00 176.16 1on4 s PRO 51 N -4.35 2.95 0.00 0.56 0.04 -1.26 -4.86 135.00 128.07 1on4 s PRO 51 Ca 0.65 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1on4 s PRO 51 Cb -0.20 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1on4 s PRO 51 CO 0.47 -2.34 0.00 -0.12 0.04 0.00 0.00 177.00 175.05 1on4 n MET 52 N 8.82 0.00 0.25 4.56 1.56 -1.26 -4.73 117.12 126.33 1on4 n MET 52 Ca 0.21 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.73 1on4 n MET 52 Cb 0.50 -0.00 0.65 0.00 2.15 0.00 0.00 33.22 36.51 1on4 n MET 52 CO 0.00 0.00 0.00 1.15 -0.73 0.00 0.00 175.97 176.39 1on4 h THR 53 N 0.00 0.91 -0.60 1.12 2.02 -1.96 -3.29 112.91 111.11 1on4 h THR 53 Ca 0.00 -0.34 0.07 0.00 0.77 0.00 0.00 66.41 66.92 1on4 h THR 53 Cb 0.00 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.52 1on4 h THR 53 CO 0.00 0.09 -0.30 0.00 0.37 0.00 0.00 175.52 175.68 1on4 n ALA 54 N -2.45 -0.24 0.22 6.16 0.00 -1.26 -0.02 120.51 122.92 1on4 n ALA 54 Ca -0.03 0.55 -0.14 0.00 0.00 0.00 0.00 53.44 53.83 1on4 n ALA 54 Cb 0.17 -0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1on4 n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1on4 h HIS 55 N 0.00 -0.53 -0.95 0.00 3.86 -1.87 -0.84 115.15 114.82 1on4 h HIS 55 Ca 0.15 -0.01 0.19 0.00 -1.16 0.00 0.00 60.37 59.54 1on4 h HIS 55 Cb 0.30 0.18 -0.11 0.00 1.06 0.00 0.00 27.41 28.83 1on4 h HIS 55 CO -0.57 -0.21 0.54 0.52 0.86 0.00 0.00 177.93 179.06 1on4 h MET 56 N -0.89 0.63 -0.13 2.45 2.86 -1.32 0.35 114.93 118.87 1on4 h MET 56 Ca -0.06 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1on4 h MET 56 Cb 0.56 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1on4 h MET 56 CO 0.10 0.41 -0.39 0.00 1.06 0.00 0.00 176.91 178.09 1on4 h THR 57 N 0.65 1.37 -0.54 2.22 1.03 -0.32 0.54 112.91 117.85 1on4 h THR 57 Ca 0.56 -1.69 0.02 0.00 -0.01 0.00 0.00 66.41 65.30 1on4 h THR 57 Cb 0.93 2.09 -0.03 0.00 -1.07 0.00 0.00 68.15 70.07 1on4 h THR 57 CO -0.42 0.51 0.36 -0.78 -0.01 0.00 0.00 175.52 175.17 1on4 h ASP 58 N 0.10 0.56 0.93 0.00 3.58 -0.46 0.14 116.42 121.28 1on4 h ASP 58 Ca -0.01 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.34 1on4 h ASP 58 Cb 1.01 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1on4 h ASP 58 CO 0.08 0.40 -0.44 -0.07 -2.88 0.00 0.00 179.24 176.33 1on4 h LEU 59 N 0.66 0.00 -0.67 2.28 4.07 -0.08 -1.47 115.31 120.09 1on4 h LEU 59 Ca 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.10 1on4 h LEU 59 Cb 0.03 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1on4 h LEU 59 CO -0.05 0.44 0.15 -0.61 -1.08 0.00 0.00 178.44 177.29 1on4 h GLN 60 N 0.00 1.08 0.75 1.13 -0.00 0.27 0.62 115.11 118.95 1on4 h GLN 60 Ca -0.00 -0.27 -0.04 0.00 -0.00 0.00 0.00 58.65 58.34 1on4 h GLN 60 Cb 1.03 -0.14 0.01 0.00 0.00 0.00 0.00 27.48 28.38 1on4 h GLN 60 CO 0.06 0.97 -0.36 -0.22 0.00 0.00 0.00 178.83 179.27 1on4 h LYS 61 N 1.01 -0.97 -0.09 1.69 3.64 -0.91 -3.02 116.57 117.91 1on4 h LYS 61 Ca 0.21 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1on4 h LYS 61 Cb 0.39 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1on4 h LYS 61 CO 0.01 -0.65 0.08 -0.22 -2.27 0.00 0.00 179.45 176.39 1on4 h LYS 62 N -1.01 0.00 -1.08 1.90 3.11 -1.17 0.58 116.57 118.90 1on4 h LYS 62 Ca -0.10 0.00 0.30 0.00 -2.81 0.00 0.00 60.65 58.04 1on4 h LYS 62 Cb 0.78 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.89 1on4 h LYS 62 CO 0.16 0.00 0.67 1.25 -2.81 0.00 0.00 179.45 178.72 1on4 h LEU 63 N 0.00 0.46 -1.44 5.20 7.12 0.38 0.10 115.31 127.13 1on4 h LEU 63 Ca 0.04 0.12 0.26 0.00 0.13 0.00 0.00 57.88 58.44 1on4 h LEU 63 Cb 0.20 0.06 -0.09 0.00 -0.53 0.00 0.00 40.66 40.30 1on4 h LEU 63 CO -0.00 -0.00 0.67 0.11 -0.13 0.00 0.00 178.44 179.09 1on4 h LYS 64 N 0.36 0.35 -0.01 1.25 1.79 -0.89 0.74 116.57 120.15 1on4 h LYS 64 Ca 0.67 -0.02 -0.15 0.00 -2.18 0.00 0.00 60.65 58.97 1on4 h LYS 64 Cb 1.69 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 32.24 1on4 h LYS 64 CO -0.41 0.23 -0.70 0.00 -1.08 0.00 0.00 179.45 177.49 1on4 h ALA 65 N 1.60 0.82 -0.00 3.86 0.00 -0.98 -3.21 119.26 121.34 1on4 h ALA 65 Ca 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1on4 h ALA 65 Cb 1.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1on4 h ALA 65 CO -0.25 0.84 -0.69 0.39 0.00 0.00 0.00 179.25 179.54 1on4 n GLU 66 N -3.74 0.23 -0.32 0.00 -0.58 0.62 -4.73 120.64 112.12 1on4 n GLU 66 Ca -0.02 -0.17 0.20 0.00 -0.42 0.00 0.00 57.16 56.76 1on4 n GLU 66 Cb 0.68 -1.50 0.40 0.00 -0.57 0.00 0.00 31.44 30.46 1on4 n GLU 66 CO 0.00 0.00 0.00 -2.95 -0.48 0.00 0.00 177.13 173.70 1on4 h ASN 67 N 0.41 0.15 0.00 1.62 -1.07 0.32 -3.38 115.58 113.64 1on4 h ASN 67 Ca 0.00 0.22 0.00 0.00 0.07 0.00 0.00 56.30 56.59 1on4 h ASN 67 Cb 0.53 0.26 0.00 0.00 -2.07 0.00 0.00 38.32 37.04 1on4 h ASN 67 CO 0.00 -0.23 0.00 -0.38 0.07 0.00 0.00 177.43 176.89 1on4 n ILE 68 N -5.22 0.00 -3.45 6.14 -0.00 -1.26 0.12 119.36 115.69 1on4 n ILE 68 Ca 0.28 0.00 -0.28 0.00 -0.00 0.00 0.00 62.75 62.75 1on4 n ILE 68 Cb 0.90 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.43 1on4 n ILE 68 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1on4 s ASP 69 N 0.00 2.19 -0.02 4.38 -1.08 -1.26 -5.11 116.67 115.77 1on4 s ASP 69 Ca 0.00 -2.78 0.04 0.00 -0.52 0.00 0.00 52.55 49.30 1on4 s ASP 69 Cb 0.00 -0.50 -0.01 0.00 -1.46 0.00 0.00 42.92 40.95 1on4 s ASP 69 CO 0.00 -0.22 -0.15 0.68 0.52 0.00 0.00 175.17 176.00 1on4 s VAL 70 N 0.36 1.23 0.11 1.11 -7.23 0.12 -4.73 120.40 111.37 1on4 s VAL 70 Ca 0.27 -0.64 0.07 0.00 -1.81 0.00 0.00 61.98 59.86 1on4 s VAL 70 Cb -0.07 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1on4 s VAL 70 CO -0.12 0.35 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.73 1on4 s ARG 71 N -0.18 1.03 -0.44 4.82 0.52 -1.26 -4.66 118.95 118.78 1on4 s ARG 71 Ca 0.02 -1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 53.86 1on4 s ARG 71 Cb -0.08 -1.10 0.02 0.00 0.52 0.00 0.00 34.95 34.31 1on4 s ARG 71 CO 0.00 0.24 0.66 -1.50 0.02 0.00 0.00 175.30 174.72 1on4 s ILE 72 N -1.56 4.81 0.40 1.52 2.07 -1.25 -1.82 121.20 125.37 1on4 s ILE 72 Ca 0.06 0.13 -0.12 0.00 -1.41 0.00 0.00 60.65 59.31 1on4 s ILE 72 Cb -0.08 -4.22 -0.07 0.00 0.13 0.00 0.00 42.46 38.22 1on4 s ILE 72 CO 0.04 -0.62 0.79 -0.63 -1.91 0.00 0.00 174.94 172.61 1on4 s ILE 73 N 2.86 4.74 -0.30 2.00 1.09 0.62 -0.68 121.20 131.53 1on4 s ILE 73 Ca 0.23 0.75 0.02 0.00 -1.10 0.00 0.00 60.65 60.54 1on4 s ILE 73 Cb -0.14 -3.71 0.15 0.00 -1.06 0.00 0.00 42.46 37.71 1on4 s ILE 73 CO 0.19 -0.47 0.38 -0.55 -0.10 0.00 0.00 174.94 174.39 1on4 s SER 74 N -2.98 0.76 0.43 3.58 0.15 -0.52 -1.92 113.70 113.20 1on4 s SER 74 Ca 0.53 -0.60 -0.18 0.00 0.70 0.00 0.00 55.95 56.39 1on4 s SER 74 Cb -0.10 0.92 -0.10 0.00 -1.71 0.00 0.00 66.02 65.03 1on4 s SER 74 CO 0.29 -0.35 0.91 0.72 1.20 0.00 0.00 173.24 176.00 1on4 s PHE 75 N 2.38 3.36 -0.10 3.44 -0.12 -1.25 -0.40 117.98 125.28 1on4 s PHE 75 Ca 0.10 1.48 -0.30 0.00 -0.05 0.00 0.00 56.93 58.16 1on4 s PHE 75 Cb -0.13 -2.76 -0.03 0.00 -0.63 0.00 0.00 43.02 39.48 1on4 s PHE 75 CO -0.28 -0.13 1.31 0.45 -0.05 0.00 0.00 175.22 176.51 1on4 s SER 76 N -2.46 6.93 -1.01 1.98 0.15 -0.81 -4.30 113.70 114.18 1on4 s SER 76 Ca 0.59 1.84 -0.23 0.00 0.70 0.00 0.00 55.95 58.85 1on4 s SER 76 Cb -0.09 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1on4 s SER 76 CO 0.19 -0.73 1.61 -0.69 1.20 0.00 0.00 173.24 174.82 1on4 s VAL 77 N 3.06 3.80 -0.11 4.45 1.01 -0.71 -4.07 120.40 127.82 1on4 s VAL 77 Ca 0.58 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1on4 s VAL 77 Cb -0.25 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.35 1on4 s VAL 77 CO 0.20 -1.66 0.00 -0.67 0.00 0.00 0.00 175.10 172.97 1on4 n ASP 78 N 10.33 -4.19 -0.08 3.32 2.03 -1.26 -4.47 116.55 122.22 1on4 n ASP 78 Ca 0.36 0.54 0.13 0.00 0.52 0.00 0.00 54.79 56.35 1on4 n ASP 78 Cb 0.49 -2.64 0.43 0.00 -0.72 0.00 0.00 41.12 38.68 1on4 n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1on4 n PRO 79 N 0.28 0.35 -0.22 -0.67 -0.04 -1.26 -4.51 135.00 128.93 1on4 n PRO 79 Ca -0.00 -0.16 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 1on4 n PRO 79 Cb 0.01 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.07 1on4 n PRO 79 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1on4 h GLU 80 N 0.40 0.61 -0.45 0.54 4.81 -1.95 0.32 114.58 118.87 1on4 h GLU 80 Ca 0.00 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.88 1on4 h GLU 80 Cb 0.47 -0.14 -0.23 0.00 0.63 0.00 0.00 28.75 29.48 1on4 h GLU 80 CO 0.00 0.41 -0.51 0.27 -0.73 0.00 0.00 179.01 178.45 1on4 n ASN 81 N -4.82 3.63 0.07 1.04 6.94 -1.26 -4.77 115.26 116.08 1on4 n ASN 81 Ca 0.08 -3.81 0.00 0.00 -0.02 0.00 0.00 54.58 50.83 1on4 n ASN 81 Cb 0.19 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1on4 n ASN 81 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1on4 n ASP 82 N -0.92 -0.38 -0.34 0.53 2.03 -0.09 -5.13 116.55 112.26 1on4 n ASP 82 Ca 0.35 0.25 0.04 0.00 0.52 0.00 0.00 54.79 55.95 1on4 n ASP 82 Cb 0.87 0.48 -0.02 0.00 -0.72 0.00 0.00 41.12 41.73 1on4 n ASP 82 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1on4 n LYS 83 N -2.93 -0.78 0.07 -0.67 5.02 0.94 -3.44 118.16 116.37 1on4 n LYS 83 Ca 0.00 0.64 0.20 0.00 -2.02 0.00 0.00 58.31 57.13 1on4 n LYS 83 Cb 0.00 -0.91 0.74 0.00 -0.02 0.00 0.00 35.03 34.85 1on4 n LYS 83 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1on4 h PRO 84 N -0.31 0.00 -0.81 1.97 0.13 -1.91 0.14 132.00 131.21 1on4 h PRO 84 Ca -0.05 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.25 1on4 h PRO 84 Cb 0.32 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.34 1on4 h PRO 84 CO 0.02 0.00 0.32 -0.22 -0.23 0.00 0.00 178.00 177.89 1on4 h LYS 85 N 0.00 0.41 -0.24 0.86 3.64 -1.99 0.12 116.57 119.37 1on4 h LYS 85 Ca 0.20 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.38 1on4 h LYS 85 Cb 1.00 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1on4 h LYS 85 CO -0.00 0.27 -0.55 1.96 -2.27 0.00 0.00 179.45 178.85 1on4 h GLN 86 N 0.42 0.79 -0.34 1.90 1.08 -0.74 0.16 115.11 118.38 1on4 h GLN 86 Ca 0.46 -0.54 0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1on4 h GLN 86 Cb 0.77 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 1on4 h GLN 86 CO -0.46 1.16 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.47 1on4 h LEU 87 N 0.54 -0.24 -0.07 1.46 3.38 -1.29 0.11 115.31 119.20 1on4 h LEU 87 Ca -0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1on4 h LEU 87 Cb 1.17 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 1on4 h LEU 87 CO 0.12 -0.08 0.02 0.50 0.09 0.00 0.00 178.44 179.09 1on4 h LYS 88 N 0.04 0.12 -0.91 1.13 3.64 -0.63 -0.05 116.57 119.90 1on4 h LYS 88 Ca 0.17 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1on4 h LYS 88 Cb 0.24 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1on4 h LYS 88 CO -0.32 0.30 0.59 -0.22 -2.27 0.00 0.00 179.45 177.52 1on4 h LYS 89 N -0.09 0.86 0.18 1.90 3.64 -0.41 0.22 116.57 122.87 1on4 h LYS 89 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1on4 h LYS 89 Cb 0.23 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1on4 h LYS 89 CO -0.00 0.57 -0.09 0.35 -2.27 0.00 0.00 179.45 178.01 1on4 h PHE 90 N 0.88 -0.23 -0.06 1.91 3.57 -0.57 -3.26 116.94 119.18 1on4 h PHE 90 Ca 0.43 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1on4 h PHE 90 Cb 0.46 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1on4 h PHE 90 CO -0.00 0.08 -0.06 0.00 -2.23 0.00 0.00 178.31 176.11 1on4 h ALA 91 N 0.18 1.79 -0.48 2.41 0.00 -0.16 0.42 119.26 123.43 1on4 h ALA 91 Ca -0.03 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.93 1on4 h ALA 91 Cb 0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1on4 h ALA 91 CO 0.04 0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.89 1on4 h ALA 92 N 1.86 2.26 0.00 0.00 0.00 -0.64 -2.77 119.26 119.97 1on4 h ALA 92 Ca 0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1on4 h ALA 92 Cb 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1on4 h ALA 92 CO 0.01 -0.69 -1.75 0.09 0.00 0.00 0.00 179.25 176.91 1on4 n ASN 93 N -3.91 1.92 -4.58 0.00 3.02 0.00 -4.88 115.26 106.82 1on4 n ASN 93 Ca 0.09 0.39 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 1on4 n ASN 93 Cb 0.64 -0.84 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 1on4 n ASN 93 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1on4 s TYR 94 N -2.53 1.99 -0.61 3.10 2.02 -0.40 -4.89 117.35 116.03 1on4 s TYR 94 Ca -0.32 0.64 -0.26 0.00 -0.37 0.00 0.00 57.07 56.76 1on4 s TYR 94 Cb 0.09 -4.21 -0.04 0.00 -0.40 0.00 0.00 41.96 37.40 1on4 s TYR 94 CO 0.48 -2.40 2.03 -1.25 -1.57 0.00 0.00 175.55 172.84 1on4 s PRO 95 N 5.83 2.44 0.42 -1.71 0.04 -1.26 -4.61 135.00 136.16 1on4 s PRO 95 Ca 0.67 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1on4 s PRO 95 Cb -0.16 -4.51 -0.02 0.00 0.04 0.00 0.00 34.50 29.86 1on4 s PRO 95 CO 0.28 -2.99 0.16 1.47 0.04 0.00 0.00 177.00 175.96 1on4 n LEU 96 N 13.89 0.00 -3.98 -3.56 -0.00 -1.26 -4.85 117.00 117.24 1on4 n LEU 96 Ca 0.27 -3.26 -0.17 0.00 -0.00 0.00 0.00 56.01 52.85 1on4 n LEU 96 Cb 0.52 1.09 -0.15 0.00 -0.00 0.00 0.00 43.42 44.89 1on4 n LEU 96 CO 0.70 -0.50 -0.42 -0.55 -0.00 0.00 0.00 177.39 176.62 1on4 s SER 97 N -3.61 0.83 0.46 1.45 0.15 -1.26 -5.02 113.70 106.70 1on4 s SER 97 Ca 0.22 -0.13 0.18 0.00 0.70 0.00 0.00 55.95 56.93 1on4 s SER 97 Cb 0.01 -0.12 1.12 0.00 -1.71 0.00 0.00 66.02 65.31 1on4 s SER 97 CO 0.16 0.07 2.00 -0.26 1.20 0.00 0.00 173.24 176.41 1on4 h PHE 98 N 6.08 0.00 0.00 3.44 0.04 -2.02 -3.38 116.94 121.10 1on4 h PHE 98 Ca -0.30 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1on4 h PHE 98 Cb 1.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.33 1on4 h PHE 98 CO 0.41 0.18 0.00 -3.47 -0.60 0.00 0.00 178.31 174.84 1on4 n ASP 99 N -4.08 0.00 -3.00 2.17 2.03 -1.26 -0.82 116.55 111.58 1on4 n ASP 99 Ca -0.02 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.14 1on4 n ASP 99 Cb 0.26 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.67 1on4 n ASP 99 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1on4 n ASN 100 N -0.74 0.04 -3.59 1.67 5.15 -1.26 -5.04 115.26 111.49 1on4 n ASN 100 Ca 0.00 -3.12 -0.20 0.00 -0.60 0.00 0.00 54.58 50.66 1on4 n ASN 100 Cb 0.00 0.06 -0.15 0.00 -0.53 0.00 0.00 39.78 39.15 1on4 n ASN 100 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1on4 s TRP 101 N -1.77 -0.08 -0.91 1.20 -0.11 -0.00 -3.90 118.94 113.37 1on4 s TRP 101 Ca 0.34 0.18 -0.15 0.00 1.22 0.00 0.00 56.10 57.69 1on4 s TRP 101 Cb 0.35 -0.44 0.20 0.00 -1.50 0.00 0.00 33.47 32.08 1on4 s TRP 101 CO -0.06 -0.44 0.94 -0.51 -4.62 0.00 0.00 176.95 172.26 1on4 s ASP 102 N 2.25 6.80 -0.12 5.86 1.01 0.14 -4.73 116.67 127.88 1on4 s ASP 102 Ca 0.04 -2.62 -0.30 0.00 0.71 0.00 0.00 52.55 50.39 1on4 s ASP 102 Cb -0.14 -2.27 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1on4 s ASP 102 CO -0.09 -0.69 1.20 -0.36 0.21 0.00 0.00 175.17 175.44 1on4 s PHE 103 N 0.80 3.09 -0.05 4.23 0.08 -1.26 -1.44 117.98 123.43 1on4 s PHE 103 Ca 0.25 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 58.47 1on4 s PHE 103 Cb -0.08 -3.42 -0.04 0.00 -0.57 0.00 0.00 43.02 38.91 1on4 s PHE 103 CO -0.09 -1.31 0.02 -0.51 -0.10 0.00 0.00 175.22 173.24 1on4 s LEU 104 N 2.82 3.67 0.00 -0.37 1.43 0.46 0.00 118.68 126.69 1on4 s LEU 104 Ca 0.54 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1on4 s LEU 104 Cb -0.22 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1on4 s LEU 104 CO 0.17 0.34 0.96 0.35 0.23 0.00 0.00 176.35 178.39 1on4 n THR 105 N 1.77 0.00 0.00 5.49 -2.24 -0.06 -1.93 114.28 117.31 1on4 n THR 105 Ca -0.17 1.46 0.00 0.00 -2.27 0.00 0.00 64.05 63.07 1on4 n THR 105 Cb 0.53 -2.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.42 1on4 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1on4 n GLY 106 N -0.97 2.40 4.46 3.38 0.00 -1.26 -3.44 105.19 109.76 1on4 n GLY 106 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1on4 n GLY 106 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1on4 n TYR 107 N 0.00 -1.15 -0.95 1.61 9.36 -1.26 -3.83 117.16 120.94 1on4 n TYR 107 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 1on4 n TYR 107 Cb 0.00 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 38.83 1on4 n TYR 107 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1on4 n SER 108 N 0.38 -0.66 -0.28 2.98 3.41 -1.26 -4.32 113.62 113.87 1on4 n SER 108 Ca 0.00 0.47 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 1on4 n SER 108 Cb 0.00 -1.34 0.24 0.00 -0.26 0.00 0.00 64.21 62.85 1on4 n SER 108 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1on4 h GLN 109 N -1.21 0.23 -0.93 4.33 1.08 -1.93 0.22 115.11 116.90 1on4 h GLN 109 Ca -0.45 -0.01 0.19 0.00 -1.45 0.00 0.00 58.65 56.93 1on4 h GLN 109 Cb 1.30 -0.05 -0.18 0.00 -0.05 0.00 0.00 27.48 28.50 1on4 h GLN 109 CO 0.40 0.15 -0.23 1.03 -0.95 0.00 0.00 178.83 179.23 1on4 h SER 110 N 0.23 -0.87 0.17 1.46 0.87 -1.91 0.16 113.55 113.65 1on4 h SER 110 Ca 0.49 0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 61.32 1on4 h SER 110 Cb 0.92 0.58 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1on4 h SER 110 CO -0.60 -0.31 -0.08 -0.33 -0.53 0.00 0.00 176.83 174.98 1on4 h GLU 111 N -0.00 -0.22 0.00 2.24 4.39 -0.99 -3.41 114.58 116.60 1on4 h GLU 111 Ca 0.45 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 60.08 1on4 h GLU 111 Cb 0.68 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1on4 h GLU 111 CO -0.96 -0.14 -0.40 0.97 -1.16 0.00 0.00 179.01 177.32 1on4 h ILE 112 N -0.50 1.09 -0.30 3.13 -0.00 -0.27 -3.29 117.51 117.36 1on4 h ILE 112 Ca -0.02 -1.48 0.03 0.00 -0.00 0.00 0.00 64.86 63.39 1on4 h ILE 112 Cb 0.17 1.85 -0.06 0.00 -0.00 0.00 0.00 36.82 38.78 1on4 h ILE 112 CO 0.04 0.39 -0.38 -0.33 -0.00 0.00 0.00 178.15 177.87 1on4 h GLU 113 N 0.00 -0.25 -0.07 2.19 5.08 -0.94 -0.27 114.58 120.32 1on4 h GLU 113 Ca -0.00 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1on4 h GLU 113 Cb 0.81 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 1on4 h GLU 113 CO 0.05 -0.16 -0.27 1.49 -1.00 0.00 0.00 179.01 179.12 1on4 h GLU 114 N -0.26 -0.36 -0.33 2.33 4.81 -1.81 0.16 114.58 119.12 1on4 h GLU 114 Ca 0.05 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1on4 h GLU 114 Cb 0.40 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 1on4 h GLU 114 CO -0.42 -0.24 -0.51 0.35 -0.73 0.00 0.00 179.01 177.46 1on4 h PHE 115 N -0.37 -1.54 -0.25 0.92 3.57 -1.67 -0.15 116.94 117.45 1on4 h PHE 115 Ca 0.08 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1on4 h PHE 115 Cb 0.49 0.72 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1on4 h PHE 115 CO -0.34 -0.49 -0.19 0.00 -2.23 0.00 0.00 178.31 175.07 1on4 h ALA 116 N 0.04 1.22 0.43 2.41 0.00 -0.41 -0.03 119.26 122.93 1on4 h ALA 116 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1on4 h ALA 116 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1on4 h ALA 116 CO -0.55 0.50 -0.30 1.25 0.00 0.00 0.00 179.25 180.16 1on4 h LEU 117 N 0.40 -0.76 0.08 0.00 7.12 -0.14 0.74 115.31 122.75 1on4 h LEU 117 Ca 0.07 0.05 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 1on4 h LEU 117 Cb 0.56 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1on4 h LEU 117 CO 0.04 -0.46 -0.04 0.11 -0.13 0.00 0.00 178.44 177.96 1on4 h LYS 118 N -0.71 -0.10 -0.13 1.25 1.79 -0.73 -1.24 116.57 116.69 1on4 h LYS 118 Ca -0.04 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1on4 h LYS 118 Cb 0.60 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1on4 h LYS 118 CO 0.02 -0.06 0.06 0.77 -1.08 0.00 0.00 179.45 179.17 1on4 h SER 119 N -0.12 0.10 0.00 0.86 0.02 -0.97 -3.43 113.55 110.01 1on4 h SER 119 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1on4 h SER 119 Cb 0.10 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1on4 h SER 119 CO 0.02 0.08 -0.22 0.49 -1.14 0.00 0.00 176.83 176.06 1on4 n PHE 120 N -5.03 -0.41 -0.54 3.45 3.72 -0.04 -4.69 117.46 113.91 1on4 n PHE 120 Ca -0.04 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1on4 n PHE 120 Cb 0.04 0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1on4 n PHE 120 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1on4 n LYS 121 N -2.82 0.00 -4.37 -1.08 0.00 0.05 -4.95 118.16 104.99 1on4 n LYS 121 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1on4 n LYS 121 Cb 0.11 -0.59 -0.10 0.00 -0.00 0.00 0.00 35.03 34.45 1on4 n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1on4 s ALA 122 N -2.17 2.07 0.32 0.58 0.00 -1.15 -4.96 121.76 116.45 1on4 s ALA 122 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1on4 s ALA 122 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1on4 s ALA 122 CO 0.00 -0.07 0.00 -0.89 0.00 0.00 0.00 175.76 174.80 1on4 n ILE 123 N -0.46 -6.20 0.20 0.00 5.41 -1.26 -3.78 119.36 113.26 1on4 n ILE 123 Ca -0.06 2.46 0.00 0.00 1.00 0.00 0.00 62.75 66.14 1on4 n ILE 123 Cb 0.62 -3.46 0.00 0.00 -0.71 0.00 0.00 39.64 36.10 1on4 n ILE 123 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1on4 n VAL 124 N 0.58 0.00 0.00 1.39 0.31 -1.26 -4.73 118.33 114.62 1on4 n VAL 124 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1on4 n VAL 124 Cb 0.00 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1on4 n VAL 124 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1on4 n LYS 125 N -3.43 0.00 -3.58 5.55 3.00 -1.26 -4.86 118.16 113.59 1on4 n LYS 125 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1on4 n LYS 125 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 35.03 34.91 1on4 n LYS 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1on4 s LYS 126 N -1.62 1.31 -1.12 1.64 3.01 -1.26 -4.95 119.74 116.75 1on4 s LYS 126 Ca 0.00 -0.59 -0.12 0.00 -1.01 0.00 0.00 55.97 54.25 1on4 s LYS 126 Cb 0.00 0.54 -0.07 0.00 -1.01 0.00 0.00 37.83 37.29 1on4 s LYS 126 CO 0.00 -0.59 2.26 -0.35 0.51 0.00 0.00 175.35 177.18 1on4 n PRO 127 N -0.38 2.40 -2.51 -1.68 -0.04 -1.26 -4.46 135.00 127.07 1on4 n PRO 127 Ca -0.11 -1.91 -0.15 0.00 -0.04 0.00 0.00 63.50 61.29 1on4 n PRO 127 Cb 0.63 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.32 1on4 n PRO 127 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1on4 n GLU 128 N 5.12 2.44 0.00 0.54 0.28 -1.26 -4.13 120.64 123.63 1on4 n GLU 128 Ca 0.54 -3.84 0.00 0.00 -0.16 0.00 0.00 57.16 53.70 1on4 n GLU 128 Cb 0.27 -1.83 0.00 0.00 1.43 0.00 0.00 31.44 31.31 1on4 n GLU 128 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1on4 n GLY 129 N -0.46 -0.35 3.58 -1.84 0.00 -1.26 -5.13 105.19 99.73 1on4 n GLY 129 Ca 0.24 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1on4 n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1on4 s GLU 130 N 0.00 -0.25 0.30 1.61 0.41 -1.26 -4.93 118.70 114.59 1on4 s GLU 130 Ca 0.00 0.76 0.00 0.00 -0.41 0.00 0.00 54.97 55.32 1on4 s GLU 130 Cb 0.00 -1.64 0.51 0.00 -1.78 0.00 0.00 34.13 31.22 1on4 s GLU 130 CO 0.00 -3.25 1.93 0.22 -0.49 0.00 0.00 175.26 173.67 1on4 h ASP 131 N -2.28 0.91 0.00 -0.19 1.82 -1.95 -3.29 116.42 111.44 1on4 h ASP 131 Ca -0.58 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1on4 h ASP 131 Cb 1.33 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1on4 h ASP 131 CO 0.53 0.61 0.00 0.00 -1.61 0.00 0.00 179.24 178.77 1on4 n GLN 132 N -4.46 0.64 -0.08 0.28 6.02 -1.26 -4.09 117.38 114.42 1on4 n GLN 132 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1on4 n GLN 132 Cb 0.14 -1.18 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 1on4 n GLN 132 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1on4 h VAL 133 N 0.81 1.19 0.66 5.09 2.07 -1.72 -3.33 116.25 121.03 1on4 h VAL 133 Ca 0.00 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1on4 h VAL 133 Cb 0.64 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1on4 h VAL 133 CO 0.00 0.20 -0.32 0.40 0.02 0.00 0.00 177.57 177.88 1on4 h ILE 134 N 0.27 0.00 0.00 4.57 1.08 -1.91 -3.49 117.51 118.03 1on4 h ILE 134 Ca 0.09 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1on4 h ILE 134 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1on4 h ILE 134 CO -0.00 0.00 0.00 1.57 -0.69 0.00 0.00 178.15 179.03 1on4 n HIS 135 N -4.96 -0.29 -3.96 1.37 -0.00 -1.25 -5.08 115.22 101.05 1on4 n HIS 135 Ca -0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.33 1on4 n HIS 135 Cb 0.35 0.06 -0.00 0.00 -0.00 0.00 0.00 29.99 30.39 1on4 n HIS 135 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1on4 n GLN 136 N -1.17 -4.06 -2.07 1.57 -0.06 -1.26 -4.81 117.38 105.52 1on4 n GLN 136 Ca 0.00 0.48 -0.42 0.00 -2.00 0.00 0.00 57.00 55.06 1on4 n GLN 136 Cb 0.00 -4.99 0.00 0.00 -4.06 0.00 0.00 30.24 21.20 1on4 n GLN 136 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1on4 n SER 137 N -2.89 4.53 -4.70 1.69 3.41 -1.26 -4.93 113.62 109.47 1on4 n SER 137 Ca -0.15 -2.98 -0.29 0.00 -0.26 0.00 0.00 58.87 55.19 1on4 n SER 137 Cb 0.61 -1.57 0.13 0.00 -0.26 0.00 0.00 64.21 63.12 1on4 n SER 137 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1on4 s SER 138 N 2.00 3.70 0.06 4.04 0.01 -1.26 -4.72 113.70 117.53 1on4 s SER 138 Ca 0.43 0.79 0.06 0.00 1.31 0.00 0.00 55.95 58.54 1on4 s SER 138 Cb 0.11 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 1on4 s SER 138 CO -0.04 -2.42 -0.11 0.12 0.41 0.00 0.00 173.24 171.20 1on4 s PHE 139 N -3.46 2.73 0.02 2.43 2.19 0.67 -4.42 117.98 118.14 1on4 s PHE 139 Ca 0.65 -0.15 0.06 0.00 0.33 0.00 0.00 56.93 57.82 1on4 s PHE 139 Cb -0.12 -1.49 -0.02 0.00 -1.31 0.00 0.00 43.02 40.08 1on4 s PHE 139 CO 0.52 0.37 -0.19 0.71 1.83 0.00 0.00 175.22 178.45 1on4 s TYR 140 N -1.08 1.69 -0.34 10.12 2.02 0.32 -2.43 117.35 127.66 1on4 s TYR 140 Ca 0.18 -0.34 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1on4 s TYR 140 Cb -0.11 -1.04 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1on4 s TYR 140 CO 0.10 0.03 0.11 -1.17 -1.57 0.00 0.00 175.55 173.05 1on4 s LEU 141 N -0.82 4.34 -0.39 -1.29 0.20 0.41 -0.65 118.68 120.49 1on4 s LEU 141 Ca 0.07 -1.11 -0.24 0.00 0.69 0.00 0.00 54.13 53.54 1on4 s LEU 141 Cb -0.08 -1.88 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 1on4 s LEU 141 CO 0.01 -0.33 0.81 -0.69 -0.29 0.00 0.00 176.35 175.85 1on4 s VAL 142 N 1.42 4.69 1.17 1.68 1.01 0.59 -2.90 120.40 128.05 1on4 s VAL 142 Ca -0.01 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 1on4 s VAL 142 Cb -0.19 -4.26 0.26 0.00 0.00 0.00 0.00 36.38 32.19 1on4 s VAL 142 CO 0.03 -0.52 0.85 0.61 0.00 0.00 0.00 175.10 176.07 1on4 n GLY 143 N 4.63 -2.07 0.33 4.51 0.00 0.15 -2.46 105.19 110.28 1on4 n GLY 143 Ca 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 46.02 44.88 1on4 n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1on4 h PRO 144 N -2.58 1.16 -0.95 1.61 0.13 -1.82 -1.59 132.00 127.95 1on4 h PRO 144 Ca -0.60 -0.25 -0.08 0.00 -0.87 0.00 0.00 66.00 64.19 1on4 h PRO 144 Cb 1.34 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1on4 h PRO 144 CO 0.47 0.99 0.11 -3.47 -0.23 0.00 0.00 178.00 175.87 1on4 n ASP 145 N -4.25 2.84 0.00 1.44 2.03 -1.26 -0.02 116.55 117.34 1on4 n ASP 145 Ca 0.06 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 53.01 1on4 n ASP 145 Cb 0.24 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1on4 n ASP 145 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1on4 n GLY 146 N 0.10 0.75 3.74 0.27 0.00 -0.60 -4.89 105.19 104.57 1on4 n GLY 146 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1on4 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1on4 s LYS 147 N -0.14 4.14 -0.10 1.61 -2.85 -1.25 -0.75 119.74 120.40 1on4 s LYS 147 Ca 0.00 -0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 1on4 s LYS 147 Cb 0.00 -3.40 -0.03 0.00 -2.06 0.00 0.00 37.83 32.35 1on4 s LYS 147 CO 0.00 0.33 1.24 0.08 0.10 0.00 0.00 175.35 177.10 1on4 s VAL 148 N 0.25 4.23 -0.08 1.79 1.01 -0.32 0.30 120.40 127.59 1on4 s VAL 148 Ca 0.12 1.53 0.15 0.00 0.00 0.00 0.00 61.98 63.78 1on4 s VAL 148 Cb -0.12 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.05 1on4 s VAL 148 CO 0.01 -0.06 0.23 0.18 0.00 0.00 0.00 175.10 175.45 1on4 n LEU 149 N 5.82 0.00 -3.86 3.92 4.32 -1.14 -1.19 117.00 124.87 1on4 n LEU 149 Ca 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 56.00 1on4 n LEU 149 Cb 0.45 0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 42.32 1on4 n LEU 149 CO 0.56 0.16 -0.14 -0.75 -1.22 0.00 0.00 177.39 176.00 1on4 s LYS 150 N -2.81 0.55 0.23 3.23 2.47 -1.23 -2.90 119.74 119.28 1on4 s LYS 150 Ca -0.07 -0.46 -0.16 0.00 -1.56 0.00 0.00 55.97 53.72 1on4 s LYS 150 Cb 0.08 0.23 0.01 0.00 -1.46 0.00 0.00 37.83 36.69 1on4 s LYS 150 CO 0.66 -0.14 0.54 0.16 0.16 0.00 0.00 175.35 176.72 1on4 s ASP 151 N -1.58 -0.19 0.09 1.43 1.47 -1.26 -0.44 116.67 116.19 1on4 s ASP 151 Ca -0.12 -0.67 -0.26 0.00 1.18 0.00 0.00 52.55 52.68 1on4 s ASP 151 Cb -0.06 0.60 0.08 0.00 -0.34 0.00 0.00 42.92 43.21 1on4 s ASP 151 CO 0.00 -1.13 0.76 -0.31 0.68 0.00 0.00 175.17 175.17 1on4 s TYR 152 N -3.94 -0.40 -0.17 2.11 2.02 -1.02 -4.97 117.35 110.98 1on4 s TYR 152 Ca 0.14 0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 57.00 1on4 s TYR 152 Cb -0.02 0.56 -0.23 0.00 -0.40 0.00 0.00 41.96 41.88 1on4 s TYR 152 CO 0.03 -0.73 0.16 -1.71 -1.57 0.00 0.00 175.55 171.74 1on4 n ASN 153 N -0.33 2.07 0.00 2.29 4.05 -1.26 -0.24 115.26 121.84 1on4 n ASN 153 Ca -0.12 0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.04 1on4 n ASN 153 Cb 0.63 -0.74 0.00 0.00 1.23 0.00 0.00 39.78 40.90 1on4 n ASN 153 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1on4 n GLY 154 N 2.02 1.10 0.35 8.20 0.00 -1.26 -4.10 105.19 111.50 1on4 n GLY 154 Ca -0.37 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1on4 n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1on4 h VAL 155 N 0.00 0.32 -3.70 1.61 2.07 -1.88 -3.47 116.25 111.20 1on4 h VAL 155 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1on4 h VAL 155 Cb 0.00 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 1on4 h VAL 155 CO 0.00 0.00 -0.01 -1.61 0.02 0.00 0.00 177.57 175.97 1on4 s GLU 156 N -6.02 2.05 0.00 1.57 0.41 -1.26 -5.06 118.70 110.40 1on4 s GLU 156 Ca -0.16 -1.65 0.00 0.00 -0.41 0.00 0.00 54.97 52.75 1on4 s GLU 156 Cb 0.06 0.51 0.00 0.00 -1.78 0.00 0.00 34.13 32.93 1on4 s GLU 156 CO 0.64 -0.90 0.00 0.09 -0.49 0.00 0.00 175.26 174.60 1on4 n ASN 157 N -1.45 0.00 -4.43 -0.19 3.02 -1.26 -4.52 115.26 106.43 1on4 n ASN 157 Ca -0.03 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.09 1on4 n ASN 157 Cb 0.61 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.73 1on4 n ASN 157 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1on4 s THR 158 N -3.45 4.55 0.22 3.41 2.01 -1.26 -4.83 115.64 116.29 1on4 s THR 158 Ca 0.00 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.39 1on4 s THR 158 Cb 0.00 -4.56 0.20 0.00 0.01 0.00 0.00 72.50 68.15 1on4 s THR 158 CO 0.00 -1.24 1.66 1.55 -0.69 0.00 0.00 174.62 175.90 1on4 h PRO 159 N 9.36 0.12 0.00 4.92 0.13 -1.86 -3.42 132.00 141.25 1on4 h PRO 159 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1on4 h PRO 159 Cb 1.08 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1on4 h PRO 159 CO 1.12 0.08 0.00 0.98 -0.23 0.00 0.00 178.00 179.95 1on4 n TYR 160 N -5.27 0.00 -0.09 1.56 9.36 -1.26 -4.54 117.16 116.92 1on4 n TYR 160 Ca 0.09 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.20 1on4 n TYR 160 Cb 0.36 -0.08 -0.04 0.00 -0.63 0.00 0.00 39.34 38.94 1on4 n TYR 160 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1on4 h ASP 161 N 0.00 0.48 0.00 2.98 3.32 -1.92 -0.57 116.42 120.72 1on4 h ASP 161 Ca 0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1on4 h ASP 161 Cb 0.00 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1on4 h ASP 161 CO 0.00 0.74 0.00 -0.67 -1.72 0.00 0.00 179.24 177.59 1on4 n ASP 162 N -4.55 0.00 -0.26 6.45 -0.08 -1.26 -0.12 116.55 116.73 1on4 n ASP 162 Ca -0.04 0.75 -0.04 0.00 -1.51 0.00 0.00 54.79 53.94 1on4 n ASP 162 Cb 0.30 -0.25 -0.03 0.00 2.34 0.00 0.00 41.12 43.49 1on4 n ASP 162 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1on4 n ILE 163 N -1.54 -0.39 -0.02 5.18 -0.00 -1.25 0.03 119.36 121.37 1on4 n ILE 163 Ca 0.00 1.50 -0.11 0.00 -0.00 0.00 0.00 62.75 64.15 1on4 n ILE 163 Cb 0.00 -1.91 -0.05 0.00 -0.00 0.00 0.00 39.64 37.68 1on4 n ILE 163 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1on4 h ILE 164 N 0.00 1.06 0.00 1.39 5.03 -0.97 -2.62 117.51 121.39 1on4 h ILE 164 Ca 0.15 -0.13 -0.02 0.00 -0.12 0.00 0.00 64.86 64.74 1on4 h ILE 164 Cb 0.31 0.90 -0.00 0.00 -3.03 0.00 0.00 36.82 34.99 1on4 h ILE 164 CO -0.61 0.05 -0.08 0.28 -0.68 0.00 0.00 178.15 177.11 1on4 h SER 165 N 0.16 0.00 0.30 1.72 0.02 0.24 0.81 113.55 116.80 1on4 h SER 165 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1on4 h SER 165 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1on4 h SER 165 CO -0.01 0.08 -0.47 -0.78 -1.14 0.00 0.00 176.83 174.52 1on4 h ASP 166 N 0.00 -1.34 -0.19 3.07 1.82 -0.03 0.31 116.42 120.07 1on4 h ASP 166 Ca -0.00 0.13 0.04 0.00 -0.39 0.00 0.00 57.03 56.80 1on4 h ASP 166 Cb 0.15 0.47 -0.03 0.00 0.68 0.00 0.00 39.33 40.60 1on4 h ASP 166 CO 0.01 -0.58 -0.03 0.58 -1.61 0.00 0.00 179.24 177.61 1on4 h VAL 167 N -0.83 0.83 -0.35 2.25 2.07 -1.02 -0.07 116.25 119.13 1on4 h VAL 167 Ca -0.02 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1on4 h VAL 167 Cb 0.77 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1on4 h VAL 167 CO -0.16 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.61 1on4 h LYS 168 N 0.02 0.52 -0.16 1.57 1.79 -0.75 0.63 116.57 120.18 1on4 h LYS 168 Ca 0.09 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 1on4 h LYS 168 Cb 0.13 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1on4 h LYS 168 CO -0.18 0.49 -0.38 0.66 -1.08 0.00 0.00 179.45 178.96 1on4 h SER 169 N 0.51 0.36 -0.30 0.86 4.64 0.29 -0.31 113.55 119.60 1on4 h SER 169 Ca 0.12 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 1on4 h SER 169 Cb 0.22 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1on4 h SER 169 CO -0.00 0.72 -0.37 0.00 -0.87 0.00 0.00 176.83 176.30 1on4 h ALA 170 N 1.31 0.45 0.36 5.18 0.00 0.41 -2.91 119.26 124.07 1on4 h ALA 170 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1on4 h ALA 170 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1on4 h ALA 170 CO 0.06 0.53 -0.37 0.77 0.00 0.00 0.00 179.25 180.25 1on4 h SER 171 N 0.54 -1.01 0.00 0.00 0.02 -0.86 -3.48 113.55 108.76 1on4 h SER 171 Ca 0.04 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1on4 h SER 171 Cb 0.96 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1on4 h SER 171 CO 0.09 -0.48 0.00 1.07 -1.14 0.00 0.00 176.83 176.36 1on4 n THR 172 N -4.62 0.00 0.17 -2.27 5.66 -0.25 -5.04 114.28 107.93 1on4 n THR 172 Ca -0.09 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.94 1on4 n THR 172 Cb 0.33 0.00 0.27 0.00 -1.55 0.00 0.00 70.33 69.39 1on4 n THR 172 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1on4 h LEU 173 N 0.00 0.00 0.00 1.09 -0.00 -1.45 -3.44 115.31 111.52 1on4 h LEU 173 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1on4 h LEU 173 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1on4 h LEU 173 CO 0.00 0.47 0.00 0.29 -0.00 0.00 0.00 178.44 179.20