#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t60 n GLY 4 N 0.00 0.76 3.75 7.39 0.00 -1.26 -5.04 105.19 110.79 1t60 n GLY 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1t60 n GLY 4 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 5 N -2.07 3.22 -0.22 1.61 2.02 -1.24 -4.91 117.35 115.76 1t60 s TYR 5 Ca 0.00 1.32 -0.02 0.00 -0.37 0.00 0.00 57.07 58.00 1t60 s TYR 5 Cb 0.00 -3.60 0.01 0.00 -0.40 0.00 0.00 41.96 37.97 1t60 s TYR 5 CO 0.00 -1.77 -0.08 -0.51 -1.57 0.00 0.00 175.55 171.62 1t60 s LEU 6 N -0.77 2.87 -0.17 -1.29 1.43 -1.26 0.28 118.68 119.77 1t60 s LEU 6 Ca 0.53 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1t60 s LEU 6 Cb -0.37 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1t60 s LEU 6 CO 0.43 -0.06 0.30 -0.22 0.23 0.00 0.00 176.35 177.03 1t60 s LEU 7 N 1.38 4.23 -0.13 1.79 2.96 0.19 -4.83 118.68 124.28 1t60 s LEU 7 Ca 0.03 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 1t60 s LEU 7 Cb -0.15 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 1t60 s LEU 7 CO -0.06 0.08 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.23 1t60 s VAL 8 N 0.55 2.96 -0.03 1.68 1.01 -1.26 -0.38 120.40 124.93 1t60 s VAL 8 Ca 0.17 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1t60 s VAL 8 Cb -0.13 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 1t60 s VAL 8 CO 0.04 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 174.94 1t60 s LYS 9 N 0.35 1.79 -0.19 2.72 1.02 -0.82 -4.89 119.74 119.72 1t60 s LYS 9 Ca -0.12 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.17 1t60 s LYS 9 Cb -0.16 -1.62 -0.00 0.00 -0.52 0.00 0.00 37.83 35.53 1t60 s LYS 9 CO 0.06 0.34 -0.10 -1.01 -0.92 0.00 0.00 175.35 173.72 1t60 s HIS 10 N -0.21 2.87 0.13 3.18 3.76 -1.26 -1.59 115.29 122.17 1t60 s HIS 10 Ca 0.01 -1.04 0.16 0.00 -0.15 0.00 0.00 55.06 54.04 1t60 s HIS 10 Cb -0.10 -1.99 0.44 0.00 1.11 0.00 0.00 32.58 32.04 1t60 s HIS 10 CO 0.01 -0.53 1.62 0.66 -0.85 0.00 0.00 174.74 175.66 1t60 h SER 11 N 7.71 0.00 -0.93 1.40 4.64 -1.25 -3.47 113.55 121.65 1t60 h SER 11 Ca -0.38 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.58 1t60 h SER 11 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 1t60 h SER 11 CO 0.60 0.49 -0.33 0.00 -0.87 0.00 0.00 176.83 176.72 1t60 n GLN 12 N -3.51 -1.21 -4.28 4.77 6.02 -1.26 -4.95 117.38 112.96 1t60 n GLN 12 Ca 0.00 1.09 -0.17 0.00 -0.01 0.00 0.00 57.00 57.91 1t60 n GLN 12 Cb 0.60 -5.34 -0.09 0.00 1.02 0.00 0.00 30.24 26.43 1t60 n GLN 12 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1t60 s THR 13 N -2.66 0.16 -1.29 5.09 -4.23 -1.26 -4.06 115.64 107.39 1t60 s THR 13 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1t60 s THR 13 Cb 0.00 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.62 1t60 s THR 13 CO 0.00 0.00 1.08 -0.90 -0.54 0.00 0.00 174.62 174.26 1t60 n ASP 14 N -0.88 2.23 -4.49 3.99 5.75 -1.26 -1.76 116.55 120.13 1t60 n ASP 14 Ca 0.03 -2.20 -0.32 0.00 -0.01 0.00 0.00 54.79 52.29 1t60 n ASP 14 Cb 0.65 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 40.21 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1t60 s GLN 15 N -1.65 2.43 0.40 0.11 -1.52 -1.26 -4.87 119.66 113.30 1t60 s GLN 15 Ca 0.20 -0.75 -0.27 0.00 -1.95 0.00 0.00 55.36 52.59 1t60 s GLN 15 Cb 0.13 -2.36 -0.09 0.00 -0.22 0.00 0.00 33.01 30.46 1t60 s GLN 15 CO 0.09 0.60 1.39 -1.21 -0.25 0.00 0.00 175.29 175.92 1t60 s GLU 16 N -0.98 3.97 0.60 2.91 2.02 -1.26 -4.49 118.70 121.47 1t60 s GLU 16 Ca 0.13 2.36 -0.15 0.00 0.02 0.00 0.00 54.97 57.33 1t60 s GLU 16 Cb -0.11 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 1t60 s GLU 16 CO 0.03 -0.57 1.05 -2.14 0.02 0.00 0.00 175.26 173.65 1t60 s PRO 17 N -2.20 3.31 -0.17 0.39 0.02 -1.26 -5.02 135.00 130.06 1t60 s PRO 17 Ca 0.56 1.16 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 1t60 s PRO 17 Cb -0.42 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 1t60 s PRO 17 CO 0.56 -0.82 0.33 -1.64 -0.33 0.00 0.00 177.00 175.10 1t60 s MET 18 N -4.20 4.24 0.56 5.54 -1.94 -1.26 -4.76 119.30 117.48 1t60 s MET 18 Ca 0.63 0.13 -0.19 0.00 -1.71 0.00 0.00 55.69 54.54 1t60 s MET 18 Cb -0.15 -3.46 -0.05 0.00 2.01 0.00 0.00 34.83 33.18 1t60 s MET 18 CO 0.39 0.16 1.17 0.00 -0.01 0.00 0.00 175.02 176.72 1t60 n PRO 20 N -1.39 2.54 -1.66 0.00 -0.02 -1.26 -4.83 135.00 128.38 1t60 n PRO 20 Ca 0.12 0.89 -0.52 0.00 -2.02 0.00 0.00 63.50 61.98 1t60 n PRO 20 Cb 0.50 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 1t60 n PRO 20 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1t60 n VAL 21 N 0.40 0.19 -0.06 -1.45 3.14 -1.26 -0.77 118.33 118.53 1t60 n VAL 21 Ca 0.02 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1t60 n VAL 21 Cb 0.38 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 31.90 1t60 n VAL 21 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1t60 n GLY 22 N 3.50 0.57 3.23 7.55 0.00 -1.26 -5.06 105.19 113.72 1t60 n GLY 22 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1t60 n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t60 s MET 23 N -0.94 3.15 0.05 1.61 1.00 0.06 -4.97 119.30 119.25 1t60 s MET 23 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 55.69 54.63 1t60 s MET 23 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 34.83 32.22 1t60 s MET 23 CO 0.00 0.01 0.86 1.21 0.00 0.00 0.00 175.02 177.10 1t60 s ASN 24 N 0.81 7.32 -0.27 3.03 3.84 -1.25 -4.65 114.94 123.77 1t60 s ASN 24 Ca -0.06 1.58 -0.29 0.00 0.21 0.00 0.00 52.86 54.31 1t60 s ASN 24 Cb -0.15 -2.52 0.01 0.00 -0.55 0.00 0.00 41.25 38.04 1t60 s ASN 24 CO -0.01 -0.07 1.04 -0.75 -2.79 0.00 0.00 177.10 174.52 1t60 s LYS 25 N 0.22 4.17 0.07 0.43 2.20 -1.26 -0.84 119.74 124.73 1t60 s LYS 25 Ca 0.44 1.20 -0.13 0.00 -0.36 0.00 0.00 55.97 57.11 1t60 s LYS 25 Cb -0.21 -3.68 -0.25 0.00 -1.51 0.00 0.00 37.83 32.18 1t60 s LYS 25 CO 0.26 -0.74 1.16 -0.07 -0.36 0.00 0.00 175.35 175.60 1t60 h LEU 26 N 9.70 0.86 -7.23 5.43 4.07 -0.64 -3.49 115.31 124.02 1t60 h LEU 26 Ca -0.20 -0.74 0.21 0.00 0.08 0.00 0.00 57.88 57.23 1t60 h LEU 26 Cb 1.06 -0.27 -0.13 0.00 1.08 0.00 0.00 40.66 42.40 1t60 h LEU 26 CO 0.99 1.54 0.64 -1.66 -1.08 0.00 0.00 178.44 178.88 1t60 s TRP 27 N -3.14 -0.17 0.30 1.13 -2.14 -1.17 -5.01 118.94 108.74 1t60 s TRP 27 Ca -0.09 0.01 0.11 0.00 2.66 0.00 0.00 56.10 58.79 1t60 s TRP 27 Cb 0.06 0.56 -0.05 0.00 -3.10 0.00 0.00 33.47 30.94 1t60 s TRP 27 CO 0.92 -0.48 -0.16 -1.12 -2.66 0.00 0.00 176.95 173.45 1t60 s SER 28 N -2.65 3.66 0.00 -2.66 0.01 -1.26 -0.55 113.70 110.24 1t60 s SER 28 Ca 0.10 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.28 1t60 s SER 28 Cb 0.00 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.91 1t60 s SER 28 CO -0.04 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1t60 n GLY 29 N -0.69 1.63 3.49 3.44 0.00 -0.31 -4.36 105.19 108.39 1t60 n GLY 29 Ca -0.05 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1t60 n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 30 N -1.89 2.85 -0.55 1.61 1.51 0.92 -1.41 117.35 120.38 1t60 s TYR 30 Ca 0.00 -0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 55.58 1t60 s TYR 30 Cb 0.00 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 1t60 s TYR 30 CO 0.00 0.13 2.12 -1.12 -1.11 0.00 0.00 175.55 175.57 1t60 s SER 31 N -0.40 4.87 -0.20 2.29 0.01 -0.67 -1.85 113.70 117.75 1t60 s SER 31 Ca 0.05 0.69 -0.20 0.00 1.31 0.00 0.00 55.95 57.81 1t60 s SER 31 Cb -0.12 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 1t60 s SER 31 CO 0.02 -2.62 0.58 -0.22 0.41 0.00 0.00 173.24 171.42 1t60 s LEU 32 N 10.57 4.14 -0.18 2.44 2.96 0.91 -1.78 118.68 137.74 1t60 s LEU 32 Ca 0.82 0.76 -0.14 0.00 -0.22 0.00 0.00 54.13 55.34 1t60 s LEU 32 Cb -0.15 -2.81 -0.08 0.00 0.50 0.00 0.00 46.19 43.65 1t60 s LEU 32 CO 0.23 -0.24 -0.17 -0.11 -1.32 0.00 0.00 176.35 174.74 1t60 n LEU 33 N 4.99 1.87 -3.52 -0.68 7.94 -0.33 -4.63 117.00 122.63 1t60 n LEU 33 Ca -0.03 0.48 -0.08 0.00 -1.11 0.00 0.00 56.01 55.27 1t60 n LEU 33 Cb 0.50 -0.85 -0.02 0.00 0.53 0.00 0.00 43.42 43.58 1t60 n LEU 33 CO 0.43 -0.14 0.65 -0.72 -1.11 0.00 0.00 177.39 176.50 1t60 s TYR 34 N -2.48 -0.35 0.13 1.96 1.13 -1.00 -1.88 117.35 114.87 1t60 s TYR 34 Ca -0.24 0.18 0.05 0.00 -1.41 0.00 0.00 57.07 55.65 1t60 s TYR 34 Cb 0.05 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1t60 s TYR 34 CO 0.38 -0.63 0.05 -0.06 -2.51 0.00 0.00 175.55 172.78 1t60 s PHE 35 N -3.23 3.03 -0.21 -3.49 0.08 -0.10 -0.48 117.98 113.57 1t60 s PHE 35 Ca 0.05 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1t60 s PHE 35 Cb -0.01 -1.51 0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1t60 s PHE 35 CO -0.08 0.51 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.49 1t60 s GLU 36 N -2.68 1.59 -0.12 0.44 2.12 -0.30 -0.57 118.70 119.17 1t60 s GLU 36 Ca 0.28 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.82 1t60 s GLU 36 Cb -0.11 -2.39 0.01 0.00 0.26 0.00 0.00 34.13 31.90 1t60 s GLU 36 CO 0.20 -0.53 -0.20 0.20 -0.54 0.00 0.00 175.26 174.39 1t60 s GLY 37 N 1.48 1.25 -1.42 -1.50 0.00 -0.76 -2.09 107.32 104.29 1t60 s GLY 37 Ca -0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 1t60 s GLY 37 CO -0.07 -0.00 1.06 -1.06 0.00 0.00 0.00 173.10 173.02 1t60 n GLN 38 N 4.01 -6.95 -3.23 2.90 1.13 -1.26 -1.92 117.38 112.05 1t60 n GLN 38 Ca -0.20 0.78 -0.23 0.00 -1.94 0.00 0.00 57.00 55.41 1t60 n GLN 38 Cb 0.52 -5.77 0.02 0.00 0.11 0.00 0.00 30.24 25.12 1t60 n GLN 38 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1t60 n GLU 39 N -4.79 -4.40 -3.89 -1.09 1.02 -1.26 -4.97 120.64 101.25 1t60 n GLU 39 Ca 0.00 0.70 -0.25 0.00 -0.02 0.00 0.00 57.16 57.59 1t60 n GLU 39 Cb 0.56 -5.51 -0.17 0.00 -0.02 0.00 0.00 31.44 26.30 1t60 n GLU 39 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1t60 s LYS 40 N -5.90 1.23 0.28 3.49 2.47 -0.81 -4.93 119.74 115.56 1t60 s LYS 40 Ca 0.37 -0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.35 1t60 s LYS 40 Cb -0.18 -1.37 -0.09 0.00 -1.46 0.00 0.00 37.83 34.73 1t60 s LYS 40 CO 0.46 -0.26 1.01 0.00 0.16 0.00 0.00 175.35 176.71 1t60 s ALA 41 N 1.74 3.33 -0.18 3.13 0.00 -1.26 -1.82 121.76 126.69 1t60 s ALA 41 Ca 0.04 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 1t60 s ALA 41 Cb -0.13 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1t60 s ALA 41 CO -0.07 0.03 0.01 -1.58 0.00 0.00 0.00 175.76 174.16 1t60 s HIS 42 N -1.27 1.21 0.38 0.00 2.46 0.27 -4.97 115.29 113.36 1t60 s HIS 42 Ca 0.45 -0.88 -0.00 0.00 0.47 0.00 0.00 55.06 55.09 1t60 s HIS 42 Cb -0.27 -1.09 -0.03 0.00 -0.13 0.00 0.00 32.58 31.06 1t60 s HIS 42 CO 0.34 -0.59 0.59 -0.80 -2.47 0.00 0.00 174.74 171.81 1t60 s ASN 43 N 1.80 6.23 -0.05 9.88 0.01 -1.26 -0.93 114.94 130.62 1t60 s ASN 43 Ca -0.00 0.48 0.06 0.00 -0.71 0.00 0.00 52.86 52.69 1t60 s ASN 43 Cb -0.16 -1.99 -0.01 0.00 0.41 0.00 0.00 41.25 39.49 1t60 s ASN 43 CO -0.07 -0.38 -0.24 -1.10 -1.51 0.00 0.00 177.10 173.80 1t60 s GLN 44 N -4.39 2.50 -0.07 -0.60 -1.52 -0.79 -4.98 119.66 109.80 1t60 s GLN 44 Ca 0.42 -0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 1t60 s GLN 44 Cb -0.10 -2.17 -0.05 0.00 -0.22 0.00 0.00 33.01 30.47 1t60 s GLN 44 CO 0.37 0.43 1.57 0.34 -0.25 0.00 0.00 175.29 177.75 1t60 s ASP 45 N -0.27 6.72 0.24 5.90 -1.08 -1.26 -4.81 116.67 122.11 1t60 s ASP 45 Ca -0.00 2.14 0.18 0.00 -0.52 0.00 0.00 52.55 54.35 1t60 s ASP 45 Cb -0.13 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.72 1t60 s ASP 45 CO 0.03 -0.89 1.56 0.18 0.52 0.00 0.00 175.17 176.57 1t60 n LEU 46 N 6.95 0.47 -0.68 -1.34 4.77 -1.26 -0.83 117.00 125.09 1t60 n LEU 46 Ca 0.16 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.96 1t60 n LEU 46 Cb 0.43 -0.71 0.27 0.00 -2.33 0.00 0.00 43.42 41.08 1t60 n LEU 46 CO 0.61 -0.76 0.69 0.61 -1.33 0.00 0.00 177.39 177.20 1t60 n GLY 47 N -0.97 0.41 3.62 -0.72 0.00 -1.26 -4.38 105.19 101.88 1t60 n GLY 47 Ca -0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1t60 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t60 s LEU 48 N -2.09 3.18 0.58 0.99 1.43 -0.01 -4.40 118.68 118.36 1t60 s LEU 48 Ca 0.30 -0.36 0.28 0.00 -1.03 0.00 0.00 54.13 53.33 1t60 s LEU 48 Cb 0.20 -1.93 1.54 0.00 0.03 0.00 0.00 46.19 46.04 1t60 s LEU 48 CO 0.36 0.16 2.00 0.00 0.23 0.00 0.00 176.35 179.10 1t60 h ALA 49 N 3.37 2.06 0.00 4.21 0.00 -1.88 -1.08 119.26 125.93 1t60 h ALA 49 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1t60 h ALA 49 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1t60 h ALA 49 CO 0.55 -0.52 0.00 0.78 0.00 0.00 0.00 179.25 180.06 1t60 h GLY 50 N 0.00 0.00 0.28 0.00 0.00 -1.96 -1.46 103.07 99.93 1t60 h GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1t60 h GLY 50 CO -0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 51 N -2.80 0.65 -4.01 0.19 3.41 -0.41 -4.45 113.62 106.21 1t60 n SER 51 Ca -0.01 -1.30 -0.32 0.00 -0.26 0.00 0.00 58.87 56.98 1t60 n SER 51 Cb 0.15 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.96 1t60 n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 53 N -0.04 4.09 0.25 0.00 2.96 -0.77 -4.77 118.68 120.39 1t60 s LEU 53 Ca 0.16 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1t60 s LEU 53 Cb -0.23 -2.93 0.42 0.00 0.50 0.00 0.00 46.19 43.94 1t60 s LEU 53 CO -0.02 -0.37 1.81 0.00 -1.32 0.00 0.00 176.35 176.44 1t60 h ALA 54 N 7.75 1.20 -3.17 5.97 0.00 -1.87 0.26 119.26 129.40 1t60 h ALA 54 Ca -0.27 0.04 -0.66 0.00 0.00 0.00 0.00 54.91 54.01 1t60 h ALA 54 Cb 1.12 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.49 1t60 h ALA 54 CO 0.79 0.09 -0.79 1.03 0.00 0.00 0.00 179.25 180.38 1t60 s ARG 55 N -6.02 3.26 0.47 0.00 0.52 -1.26 -4.55 118.95 111.36 1t60 s ARG 55 Ca -0.12 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 1t60 s ARG 55 Cb 0.20 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.92 1t60 s ARG 55 CO 0.78 0.00 0.85 0.12 0.02 0.00 0.00 175.30 177.08 1t60 s PHE 56 N 0.87 3.50 -0.25 -0.53 2.19 -1.26 -4.96 117.98 117.54 1t60 s PHE 56 Ca -0.04 1.14 -0.28 0.00 0.33 0.00 0.00 56.93 58.09 1t60 s PHE 56 Cb -0.15 -2.54 0.15 0.00 -1.31 0.00 0.00 43.02 39.18 1t60 s PHE 56 CO -0.01 -0.26 1.18 0.45 1.83 0.00 0.00 175.22 178.42 1t60 s SER 57 N -3.38 -0.24 0.56 6.13 0.15 -1.26 -5.01 113.70 110.65 1t60 s SER 57 Ca 0.53 0.37 0.35 0.00 0.70 0.00 0.00 55.95 57.89 1t60 s SER 57 Cb -0.10 0.34 1.56 0.00 -1.71 0.00 0.00 66.02 66.10 1t60 s SER 57 CO 0.36 -0.16 2.06 0.71 1.20 0.00 0.00 173.24 177.41 1t60 h THR 58 N 2.80 0.10 -2.55 6.45 1.35 -1.91 -3.32 112.91 115.83 1t60 h THR 58 Ca -0.20 -0.46 -0.59 0.00 -0.55 0.00 0.00 66.41 64.60 1t60 h THR 58 Cb 1.18 1.41 -0.39 0.00 -1.73 0.00 0.00 68.15 68.62 1t60 h THR 58 CO 0.21 0.03 -0.88 -0.32 -0.25 0.00 0.00 175.52 174.31 1t60 s MET 59 N -3.81 0.99 0.00 4.72 -2.45 -1.26 -3.81 119.30 113.68 1t60 s MET 59 Ca -0.00 -2.00 0.25 0.00 -1.25 0.00 0.00 55.69 52.68 1t60 s MET 59 Cb 0.10 -1.66 1.28 0.00 1.25 0.00 0.00 34.83 35.80 1t60 s MET 59 CO 0.53 -1.31 1.85 -0.35 1.05 0.00 0.00 175.02 176.79 1t60 n PRO 60 N 3.16 1.26 -4.37 4.11 -0.04 -1.25 -4.90 135.00 132.96 1t60 n PRO 60 Ca 0.22 -0.38 -0.19 0.00 -0.04 0.00 0.00 63.50 63.11 1t60 n PRO 60 Cb 0.42 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1t60 n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 61 N -1.96 1.72 0.24 0.54 -0.71 -1.26 -5.09 117.98 111.46 1t60 s PHE 61 Ca 0.37 -1.08 0.01 0.00 -1.04 0.00 0.00 56.93 55.19 1t60 s PHE 61 Cb 0.18 -1.06 -0.04 0.00 -1.21 0.00 0.00 43.02 40.89 1t60 s PHE 61 CO 0.29 -0.18 0.14 -0.48 -1.34 0.00 0.00 175.22 173.66 1t60 s LEU 62 N -3.39 1.38 0.04 -1.99 0.05 -1.26 -4.54 118.68 108.97 1t60 s LEU 62 Ca 0.37 -1.45 -0.02 0.00 0.05 0.00 0.00 54.13 53.08 1t60 s LEU 62 Cb 0.08 0.31 -0.02 0.00 -2.05 0.00 0.00 46.19 44.50 1t60 s LEU 62 CO 0.14 -0.85 0.01 -0.72 -0.55 0.00 0.00 176.35 174.39 1t60 s TYR 63 N -3.93 0.34 0.11 3.48 -0.85 -0.78 -4.99 117.35 110.73 1t60 s TYR 63 Ca 0.39 -0.74 0.03 0.00 -0.52 0.00 0.00 57.07 56.23 1t60 s TYR 63 Cb 0.06 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1t60 s TYR 63 CO 0.15 -0.32 -0.09 0.00 -1.52 0.00 0.00 175.55 173.76 1t60 s ASN 65 N -2.84 3.03 0.57 0.00 2.20 -0.69 -5.00 114.94 112.21 1t60 s ASN 65 Ca 0.11 -1.13 0.35 0.00 -0.94 0.00 0.00 52.86 51.25 1t60 s ASN 65 Cb 0.01 -0.21 1.45 0.00 -2.00 0.00 0.00 41.25 40.50 1t60 s ASN 65 CO -0.01 -0.22 1.70 -0.65 -2.94 0.00 0.00 177.10 174.97 1t60 h PRO 66 N 2.29 0.00 0.00 3.55 0.11 -2.02 -2.07 132.00 133.86 1t60 h PRO 66 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1t60 h PRO 66 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1t60 h PRO 66 CO 0.66 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1t60 n GLY 67 N -1.73 -0.45 2.96 -0.55 0.00 -1.26 -4.79 105.19 99.37 1t60 n GLY 67 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.09 1t60 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t60 n ASP 68 N -0.54 -4.77 -4.06 1.61 10.43 -0.78 -5.03 116.55 113.42 1t60 n ASP 68 Ca 0.01 -0.39 -0.23 0.00 2.57 0.00 0.00 54.79 56.74 1t60 n ASP 68 Cb 0.00 -3.74 -0.16 0.00 1.84 0.00 0.00 41.12 39.07 1t60 n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1t60 s VAL 69 N -3.23 1.09 0.12 2.53 1.01 -1.23 -5.02 120.40 115.66 1t60 s VAL 69 Ca 0.37 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1t60 s VAL 69 Cb -0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1t60 s VAL 69 CO 0.52 0.33 -0.23 0.00 0.00 0.00 0.00 175.10 175.72 1t60 s TYR 71 N -1.19 1.56 -0.13 0.00 2.02 0.11 -4.98 117.35 114.75 1t60 s TYR 71 Ca 0.09 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1t60 s TYR 71 Cb -0.10 -1.10 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 1t60 s TYR 71 CO 0.05 -0.23 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.11 1t60 s TYR 72 N 0.40 2.66 -1.76 2.71 6.14 -1.26 -1.87 117.35 124.37 1t60 s TYR 72 Ca -0.10 -1.25 -0.20 0.00 0.64 0.00 0.00 57.07 56.15 1t60 s TYR 72 Cb -0.14 -1.80 0.18 0.00 0.42 0.00 0.00 41.96 40.62 1t60 s TYR 72 CO 0.03 -0.56 0.70 0.00 0.64 0.00 0.00 175.55 176.36 1t60 n ALA 73 N 3.96 -1.27 -1.20 3.97 0.00 -1.26 -4.84 120.51 119.86 1t60 n ALA 73 Ca -0.20 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.23 1t60 n ALA 73 Cb 0.52 -3.07 0.18 0.00 0.00 0.00 0.00 19.45 17.08 1t60 n ALA 73 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1t60 n SER 74 N -2.60 2.50 0.00 0.00 7.64 -1.26 -4.73 113.62 115.16 1t60 n SER 74 Ca 0.07 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.64 1t60 n SER 74 Cb 0.49 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1t60 n SER 74 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1t60 n ARG 75 N -1.18 0.00 -2.13 1.43 0.63 -1.26 -5.08 116.66 109.06 1t60 n ARG 75 Ca 0.19 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.13 1t60 n ARG 75 Cb 0.73 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.68 1t60 n ARG 75 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1t60 n ASN 76 N 0.00 0.95 -4.74 6.15 4.05 -1.26 -4.85 115.26 115.56 1t60 n ASN 76 Ca 0.00 -2.02 -0.25 0.00 0.45 0.00 0.00 54.58 52.75 1t60 n ASN 76 Cb 0.00 -0.27 0.09 0.00 1.23 0.00 0.00 39.78 40.83 1t60 n ASN 76 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1t60 s ASP 77 N -2.67 4.47 0.36 1.20 -0.00 -1.26 -4.93 116.67 113.85 1t60 s ASP 77 Ca 0.27 0.18 -0.09 0.00 -0.00 0.00 0.00 52.55 52.91 1t60 s ASP 77 Cb 0.34 -0.69 0.04 0.00 -0.00 0.00 0.00 42.92 42.60 1t60 s ASP 77 CO -0.10 -1.80 0.63 2.29 -0.00 0.00 0.00 175.17 176.20 1t60 n LYS 78 N -2.98 0.91 -4.04 8.23 2.85 -0.89 -2.16 118.16 120.08 1t60 n LYS 78 Ca 0.11 -2.40 -0.08 0.00 -1.05 0.00 0.00 58.31 54.89 1t60 n LYS 78 Cb 0.60 2.65 -0.10 0.00 -0.65 0.00 0.00 35.03 37.53 1t60 n LYS 78 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1t60 s SER 79 N -3.04 0.40 -0.02 -5.58 1.04 -0.86 -1.16 113.70 104.48 1t60 s SER 79 Ca 0.21 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1t60 s SER 79 Cb -0.03 0.15 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1t60 s SER 79 CO 0.15 -0.46 -0.12 -0.31 0.98 0.00 0.00 173.24 173.48 1t60 s TYR 80 N -2.83 1.17 0.05 5.02 2.02 0.37 -0.75 117.35 122.40 1t60 s TYR 80 Ca -0.03 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1t60 s TYR 80 Cb 0.00 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1t60 s TYR 80 CO -0.06 -0.07 -0.08 -1.58 -1.57 0.00 0.00 175.55 172.19 1t60 s TRP 81 N -0.07 0.72 0.53 2.71 0.52 -0.89 -1.19 118.94 121.28 1t60 s TRP 81 Ca 0.01 -0.58 -0.21 0.00 0.02 0.00 0.00 56.10 55.34 1t60 s TRP 81 Cb -0.07 -0.43 -0.05 0.00 -1.15 0.00 0.00 33.47 31.77 1t60 s TRP 81 CO 0.00 -0.10 1.22 -0.51 0.02 0.00 0.00 176.95 177.58 1t60 s LEU 82 N -1.87 3.83 0.47 2.99 1.43 -0.74 -0.21 118.68 124.59 1t60 s LEU 82 Ca -0.06 2.42 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 1t60 s LEU 82 Cb -0.07 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 1t60 s LEU 82 CO -0.01 -1.33 0.07 -0.94 0.23 0.00 0.00 176.35 174.37 1t60 s SER 83 N -1.40 4.15 0.03 2.29 1.04 0.07 -1.30 113.70 118.58 1t60 s SER 83 Ca 0.71 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1t60 s SER 83 Cb -0.31 0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1t60 s SER 83 CO 0.36 -0.73 0.00 0.35 0.98 0.00 0.00 173.24 174.20 1t60 n THR 84 N -1.23 0.00 1.56 2.02 -2.24 -0.69 -4.52 114.28 109.18 1t60 n THR 84 Ca -0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1t60 n THR 84 Cb 0.66 -1.04 0.56 0.00 -2.10 0.00 0.00 70.33 68.41 1t60 n THR 84 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1t60 n THR 85 N -0.89 0.06 -1.58 4.28 -2.24 -1.26 -4.92 114.28 107.74 1t60 n THR 85 Ca 0.00 -0.21 -0.49 0.00 -2.27 0.00 0.00 64.05 61.08 1t60 n THR 85 Cb 0.00 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1t60 n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1t60 n ALA 86 N -0.09 -0.80 -1.65 6.98 0.00 -1.26 -4.84 120.51 118.85 1t60 n ALA 86 Ca 0.18 0.47 -0.38 0.00 0.00 0.00 0.00 53.44 53.71 1t60 n ALA 86 Cb 0.27 -2.03 0.05 0.00 0.00 0.00 0.00 19.45 17.74 1t60 n ALA 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1t60 n PRO 87 N 1.82 1.10 -1.66 0.00 -0.04 -1.26 -4.89 135.00 130.06 1t60 n PRO 87 Ca 0.15 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 1t60 n PRO 87 Cb 0.24 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1t60 n PRO 87 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1t60 s LEU 88 N -2.53 4.44 0.49 1.53 1.98 -1.26 -4.96 118.68 118.37 1t60 s LEU 88 Ca 0.75 2.68 -0.20 0.00 -2.89 0.00 0.00 54.13 54.48 1t60 s LEU 88 Cb -0.42 -3.53 -0.08 0.00 0.66 0.00 0.00 46.19 42.82 1t60 s LEU 88 CO 0.47 -1.06 1.03 -2.16 -1.89 0.00 0.00 176.35 172.74 1t60 s PRO 89 N 4.48 3.78 0.35 0.98 0.04 -1.26 -4.94 135.00 138.43 1t60 s PRO 89 Ca 0.89 1.32 0.27 0.00 0.04 0.00 0.00 61.00 63.52 1t60 s PRO 89 Cb -0.43 -2.09 0.99 0.00 0.04 0.00 0.00 34.50 33.01 1t60 s PRO 89 CO 0.42 -0.44 1.79 0.52 0.04 0.00 0.00 177.00 179.32 1t60 h MET 90 N 1.45 0.00 -2.80 4.56 2.86 -2.00 -3.46 114.93 115.53 1t60 h MET 90 Ca -0.49 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.22 1t60 h MET 90 Cb 1.22 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1t60 h MET 90 CO 0.59 0.00 0.30 0.00 1.06 0.00 0.00 176.91 178.86 1t60 s MET 91 N -3.36 1.43 0.11 1.72 0.00 -1.26 -5.15 119.30 112.79 1t60 s MET 91 Ca 0.05 -0.71 -0.35 0.00 0.00 0.00 0.00 55.69 54.68 1t60 s MET 91 Cb 0.09 0.54 -0.18 0.00 0.00 0.00 0.00 34.83 35.29 1t60 s MET 91 CO 0.50 -0.65 0.97 -2.30 0.00 0.00 0.00 175.02 173.55 1t60 n PRO 92 N -0.42 0.41 -3.57 3.16 -0.02 -1.26 -4.96 135.00 128.33 1t60 n PRO 92 Ca -0.09 0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 1t60 n PRO 92 Cb 0.61 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.50 1t60 n PRO 92 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1t60 s VAL 93 N -0.28 5.22 0.02 -1.45 -7.23 -0.26 -4.90 120.40 111.51 1t60 s VAL 93 Ca 0.79 0.64 0.04 0.00 -1.81 0.00 0.00 61.98 61.64 1t60 s VAL 93 Cb -1.04 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 32.23 1t60 s VAL 93 CO 0.55 0.51 -0.09 0.00 -0.31 0.00 0.00 175.10 175.76 1t60 s ALA 94 N -0.50 2.95 0.00 1.32 0.00 -1.26 -1.51 121.76 122.76 1t60 s ALA 94 Ca 0.20 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1t60 s ALA 94 Cb -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1t60 s ALA 94 CO 0.08 0.61 0.00 0.39 0.00 0.00 0.00 175.76 176.85 1t60 n GLU 95 N 1.44 0.00 -0.11 0.00 1.02 -0.91 -1.43 120.64 120.64 1t60 n GLU 95 Ca -0.15 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.23 1t60 n GLU 95 Cb 0.52 0.00 0.69 0.00 -0.02 0.00 0.00 31.44 32.63 1t60 n GLU 95 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1t60 h GLU 96 N 0.00 0.05 0.00 3.49 4.57 -1.96 0.16 114.58 120.89 1t60 h GLU 96 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1t60 h GLU 96 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1t60 h GLU 96 CO 0.00 0.03 0.00 -0.25 -1.18 0.00 0.00 179.01 177.61 1t60 n ASP 97 N -4.34 0.09 0.03 1.04 8.00 -0.51 -2.59 116.55 118.26 1t60 n ASP 97 Ca 0.15 0.52 -0.17 0.00 0.71 0.00 0.00 54.79 56.00 1t60 n ASP 97 Cb 0.78 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1t60 h ILE 98 N 0.00 1.31 -0.76 0.53 2.04 -0.79 -3.37 117.51 116.47 1t60 h ILE 98 Ca 0.00 -2.18 0.11 0.00 1.00 0.00 0.00 64.86 63.80 1t60 h ILE 98 Cb 0.24 2.22 -0.12 0.00 -0.74 0.00 0.00 36.82 38.42 1t60 h ILE 98 CO 0.00 0.67 -0.31 -1.14 0.00 0.00 0.00 178.15 177.37 1t60 n ARG 99 N -3.86 -0.19 0.34 2.37 0.63 -1.07 -0.10 116.66 114.78 1t60 n ARG 99 Ca -0.08 1.17 0.21 0.00 -0.92 0.00 0.00 57.85 58.23 1t60 n ARG 99 Cb 0.81 -1.74 1.11 0.00 0.45 0.00 0.00 32.46 33.09 1t60 n ARG 99 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1t60 h PRO 100 N 0.00 0.00 0.00 -0.14 0.11 -1.81 -2.83 132.00 127.33 1t60 h PRO 100 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1t60 h PRO 100 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1t60 h PRO 100 CO -0.75 0.00 -0.76 1.88 -0.21 0.00 0.00 178.00 178.15 1t60 h TYR 101 N 0.00 0.00 -3.46 0.65 0.05 -0.76 -3.42 116.97 110.03 1t60 h TYR 101 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.18 1t60 h TYR 101 Cb 0.19 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.82 1t60 h TYR 101 CO 0.00 0.00 -0.12 0.42 -1.05 0.00 0.00 178.16 177.41 1t60 s ILE 102 N -3.24 5.15 0.57 -2.88 -1.09 -1.07 -1.70 121.20 116.94 1t60 s ILE 102 Ca 0.04 0.85 -0.19 0.00 -2.23 0.00 0.00 60.65 59.11 1t60 s ILE 102 Cb 0.12 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1t60 s ILE 102 CO 0.75 0.22 1.18 -0.55 -1.23 0.00 0.00 174.94 175.31 1t60 s SER 103 N 1.06 5.43 0.30 3.58 0.15 -0.42 -4.33 113.70 119.46 1t60 s SER 103 Ca 0.22 2.32 0.08 0.00 0.70 0.00 0.00 55.95 59.27 1t60 s SER 103 Cb -0.15 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 103 CO 0.09 -1.43 0.21 -0.13 1.20 0.00 0.00 173.24 173.18 1t60 s ARG 104 N -3.27 2.72 0.15 5.44 1.81 -0.72 -1.67 118.95 123.41 1t60 s ARG 104 Ca 0.75 -1.24 -0.08 0.00 -1.72 0.00 0.00 55.73 53.43 1t60 s ARG 104 Cb -0.28 -2.45 -0.01 0.00 -0.45 0.00 0.00 34.95 31.76 1t60 s ARG 104 CO 0.31 0.24 0.25 0.00 -0.68 0.00 0.00 175.30 175.42 1t60 s SER 106 N -2.96 -0.04 -0.27 0.00 0.01 -0.62 -1.16 113.70 108.67 1t60 s SER 106 Ca 0.16 0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 1t60 s SER 106 Cb 0.04 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1t60 s SER 106 CO -0.02 -0.02 0.04 -0.69 0.41 0.00 0.00 173.24 172.97 1t60 s VAL 107 N 0.00 3.83 -0.05 3.43 1.01 0.29 -1.94 120.40 126.96 1t60 s VAL 107 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1t60 s VAL 107 Cb -0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1t60 s VAL 107 CO 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.15 1t60 s GLU 109 N -0.69 4.35 0.27 0.00 2.12 -0.02 0.56 118.70 125.30 1t60 s GLU 109 Ca 0.11 1.15 0.08 0.00 0.36 0.00 0.00 54.97 56.67 1t60 s GLU 109 Cb -0.11 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 1t60 s GLU 109 CO 0.01 -0.31 0.09 0.00 -0.54 0.00 0.00 175.26 174.51 1t60 s ALA 110 N 2.06 3.37 -0.70 6.30 0.00 0.14 -3.74 121.76 129.20 1t60 s ALA 110 Ca 0.42 -1.60 0.26 0.00 0.00 0.00 0.00 51.96 51.04 1t60 s ALA 110 Cb -0.17 -0.96 0.70 0.00 0.00 0.00 0.00 23.12 22.68 1t60 s ALA 110 CO 0.14 0.22 1.67 -0.35 0.00 0.00 0.00 175.76 177.45 1t60 n PRO 111 N -1.04 0.28 -3.93 0.00 -0.04 -1.26 -3.59 135.00 125.41 1t60 n PRO 111 Ca -0.06 0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1t60 n PRO 111 Cb 0.59 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1t60 n PRO 111 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t60 s ALA 112 N -3.12 -0.37 0.13 0.55 0.00 -1.26 -4.59 121.76 113.10 1t60 s ALA 112 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 1t60 s ALA 112 Cb 0.12 0.98 -0.07 0.00 0.00 0.00 0.00 23.12 24.16 1t60 s ALA 112 CO 0.63 -0.81 1.12 0.08 0.00 0.00 0.00 175.76 176.77 1t60 s VAL 113 N -3.98 3.98 -0.00 0.00 1.01 -1.26 -4.85 120.40 115.30 1t60 s VAL 113 Ca 0.18 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 63.69 1t60 s VAL 113 Cb -0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1t60 s VAL 113 CO 0.05 0.22 0.26 0.00 0.00 0.00 0.00 175.10 175.63 1t60 s ALA 114 N 0.21 3.85 0.29 5.51 0.00 -1.26 -4.33 121.76 126.03 1t60 s ALA 114 Ca 0.52 -0.58 0.02 0.00 0.00 0.00 0.00 51.96 51.93 1t60 s ALA 114 Cb -0.29 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 1t60 s ALA 114 CO 0.33 0.65 0.09 0.96 0.00 0.00 0.00 175.76 177.79 1t60 s ILE 115 N -1.28 0.71 0.01 0.00 -4.36 -0.13 -4.68 121.20 111.47 1t60 s ILE 115 Ca 0.27 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.72 1t60 s ILE 115 Cb -0.13 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 1t60 s ILE 115 CO 0.15 0.00 -0.20 0.00 0.24 0.00 0.00 174.94 175.13 1t60 s ALA 116 N -3.58 1.66 0.02 2.27 0.00 -0.61 -0.03 121.76 121.50 1t60 s ALA 116 Ca 0.36 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1t60 s ALA 116 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1t60 s ALA 116 CO 0.15 0.39 -0.19 0.14 0.00 0.00 0.00 175.76 176.25 1t60 s VAL 117 N -0.59 1.49 -0.01 0.00 -7.23 -0.58 -4.48 120.40 109.00 1t60 s VAL 117 Ca 0.07 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 1t60 s VAL 117 Cb -0.08 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1t60 s VAL 117 CO 0.00 0.26 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.83 1t60 s HIS 118 N -0.66 1.98 -0.09 2.82 3.76 -1.26 -2.05 115.29 119.79 1t60 s HIS 118 Ca 0.06 -0.37 0.15 0.00 -0.15 0.00 0.00 55.06 54.75 1t60 s HIS 118 Cb -0.08 -1.26 -0.22 0.00 1.11 0.00 0.00 32.58 32.13 1t60 s HIS 118 CO 0.01 -0.02 0.59 -1.13 -0.85 0.00 0.00 174.74 173.33 1t60 n SER 119 N 2.48 0.69 -3.41 1.40 3.41 -0.51 -4.94 113.62 112.74 1t60 n SER 119 Ca -0.16 0.32 -0.25 0.00 -0.26 0.00 0.00 58.87 58.53 1t60 n SER 119 Cb 0.52 0.23 0.03 0.00 -0.26 0.00 0.00 64.21 64.73 1t60 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 n GLN 120 N -2.94 -5.22 -3.87 4.33 6.02 -1.26 -4.92 117.38 109.52 1t60 n GLN 120 Ca -0.18 0.72 -0.09 0.00 -0.01 0.00 0.00 57.00 57.45 1t60 n GLN 120 Cb 1.01 -5.59 -0.04 0.00 1.02 0.00 0.00 30.24 26.64 1t60 n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1t60 s ASP 121 N -2.95 -0.19 0.41 1.08 2.15 -1.26 -0.54 116.67 115.37 1t60 s ASP 121 Ca 0.46 -0.69 0.21 0.00 0.43 0.00 0.00 52.55 52.97 1t60 s ASP 121 Cb -0.22 0.61 0.75 0.00 -0.30 0.00 0.00 42.92 43.76 1t60 s ASP 121 CO 0.57 -1.15 1.75 -0.37 -0.17 0.00 0.00 175.17 175.81 1t60 h VAL 122 N 2.19 0.67 -4.19 1.11 -1.51 -1.87 -3.12 116.25 109.52 1t60 h VAL 122 Ca -0.26 -1.35 -0.50 0.00 -1.23 0.00 0.00 66.70 63.36 1t60 h VAL 122 Cb 1.25 1.89 0.09 0.00 -2.13 0.00 0.00 31.29 32.39 1t60 h VAL 122 CO 0.34 0.29 0.38 -0.94 -1.23 0.00 0.00 177.57 176.40 1t60 s SER 123 N -6.29 5.32 -0.16 4.19 1.04 -1.26 -4.82 113.70 111.72 1t60 s SER 123 Ca 0.01 1.96 -0.20 0.00 0.48 0.00 0.00 55.95 58.20 1t60 s SER 123 Cb 0.10 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 1t60 s SER 123 CO 0.66 -1.49 0.56 -0.63 0.98 0.00 0.00 173.24 173.32 1t60 s ILE 124 N -2.35 5.10 0.26 -1.02 1.01 -1.26 -4.52 121.20 118.42 1t60 s ILE 124 Ca 0.66 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 1t60 s ILE 124 Cb -0.19 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 1t60 s ILE 124 CO 0.40 0.21 1.26 -2.16 0.00 0.00 0.00 174.94 174.65 1t60 s PRO 125 N 1.31 4.44 0.51 2.79 0.04 -1.26 -5.00 135.00 137.82 1t60 s PRO 125 Ca 0.27 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 1t60 s PRO 125 Cb -0.16 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 1t60 s PRO 125 CO 0.11 -0.12 1.14 -1.01 0.04 0.00 0.00 177.00 177.16 1t60 s HIS 126 N -0.61 2.75 0.64 0.56 3.76 -1.26 -4.64 115.29 116.49 1t60 s HIS 126 Ca 0.51 1.54 -0.12 0.00 -0.15 0.00 0.00 55.06 56.84 1t60 s HIS 126 Cb -0.36 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 29.98 1t60 s HIS 126 CO 0.44 -1.54 1.04 0.00 -0.85 0.00 0.00 174.74 173.83 1t60 s PRO 128 N -4.89 2.38 -0.01 0.00 0.02 -1.26 -4.85 135.00 126.39 1t60 s PRO 128 Ca 0.57 1.71 -0.34 0.00 0.02 0.00 0.00 61.00 62.97 1t60 s PRO 128 Cb -0.13 -1.87 -0.12 0.00 0.02 0.00 0.00 34.50 32.41 1t60 s PRO 128 CO 0.50 -1.64 1.81 0.00 -0.33 0.00 0.00 177.00 177.35 1t60 n ALA 129 N -2.49 1.10 0.00 -1.55 0.00 -1.26 -0.44 120.51 115.87 1t60 n ALA 129 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1t60 n ALA 129 Cb 0.50 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1t60 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 130 N 4.17 0.69 3.87 0.00 0.00 -1.26 -5.05 105.19 107.61 1t60 n GLY 130 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1t60 n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1t60 s TRP 131 N -2.19 3.48 0.20 1.61 0.52 0.42 -0.81 118.94 122.17 1t60 s TRP 131 Ca 0.00 0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.52 1t60 s TRP 131 Cb 0.00 -1.81 -0.04 0.00 -1.15 0.00 0.00 33.47 30.47 1t60 s TRP 131 CO 0.00 0.63 0.05 -0.98 0.02 0.00 0.00 176.95 176.67 1t60 s ARG 132 N -1.81 2.54 0.12 4.98 1.70 0.21 -4.65 118.95 122.05 1t60 s ARG 132 Ca 0.25 -1.12 -0.26 0.00 -0.47 0.00 0.00 55.73 54.14 1t60 s ARG 132 Cb -0.12 -2.40 -0.07 0.00 -0.57 0.00 0.00 34.95 31.79 1t60 s ARG 132 CO 0.16 0.44 0.79 0.45 -1.08 0.00 0.00 175.30 176.06 1t60 s SER 133 N -3.22 7.35 -0.17 -2.89 0.15 -1.26 -0.86 113.70 112.79 1t60 s SER 133 Ca 0.29 1.60 0.15 0.00 0.70 0.00 0.00 55.95 58.69 1t60 s SER 133 Cb -0.09 -2.50 -0.21 0.00 -1.71 0.00 0.00 66.02 61.52 1t60 s SER 133 CO 0.20 0.13 0.05 0.18 1.20 0.00 0.00 173.24 175.00 1t60 n LEU 134 N 2.06 0.08 -3.62 3.45 4.77 0.48 -4.92 117.00 119.30 1t60 n LEU 134 Ca -0.04 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 1t60 n LEU 134 Cb 0.49 0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.95 1t60 n LEU 134 CO 0.47 0.43 1.15 -1.66 -1.33 0.00 0.00 177.39 176.45 1t60 s TRP 135 N -2.41 -0.03 0.25 -1.77 -2.14 -1.22 -5.00 118.94 106.61 1t60 s TRP 135 Ca -0.09 0.01 0.10 0.00 2.66 0.00 0.00 56.10 58.79 1t60 s TRP 135 Cb 0.05 0.51 -0.05 0.00 -3.10 0.00 0.00 33.47 30.88 1t60 s TRP 135 CO 0.69 -0.07 -0.10 0.96 -2.66 0.00 0.00 176.95 175.77 1t60 s ILE 136 N -2.14 3.02 0.00 0.66 -4.36 -1.26 -0.99 121.20 116.13 1t60 s ILE 136 Ca 0.12 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1t60 s ILE 136 Cb 0.01 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1t60 s ILE 136 CO -0.04 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1t60 n GLY 137 N -0.58 2.12 3.35 6.27 0.00 -0.43 -4.39 105.19 111.54 1t60 n GLY 137 Ca -0.07 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1t60 n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t60 s TYR 138 N -1.62 2.32 -0.80 1.61 1.51 0.11 -2.08 117.35 118.40 1t60 s TYR 138 Ca 0.00 -0.41 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1t60 s TYR 138 Cb 0.00 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1t60 s TYR 138 CO 0.00 0.15 1.70 -1.12 -1.11 0.00 0.00 175.55 175.17 1t60 s SER 139 N -1.34 5.62 -0.42 2.29 0.01 -0.40 -2.10 113.70 117.37 1t60 s SER 139 Ca 0.12 -0.44 -0.23 0.00 1.31 0.00 0.00 55.95 56.71 1t60 s SER 139 Cb -0.10 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1t60 s SER 139 CO 0.03 -2.23 0.77 0.12 0.41 0.00 0.00 173.24 172.33 1t60 s PHE 140 N 8.01 3.04 -0.19 2.43 5.36 -0.03 -1.64 117.98 134.96 1t60 s PHE 140 Ca 0.58 0.27 -0.15 0.00 -0.96 0.00 0.00 56.93 56.67 1t60 s PHE 140 Cb -0.08 -3.54 -0.10 0.00 -0.34 0.00 0.00 43.02 38.96 1t60 s PHE 140 CO 0.08 -0.89 -0.13 -0.11 -1.46 0.00 0.00 175.22 172.71 1t60 n LEU 141 N 6.57 1.88 0.00 6.12 7.94 -0.04 -4.51 117.00 134.96 1t60 n LEU 141 Ca 0.02 0.46 -0.07 0.00 -1.11 0.00 0.00 56.01 55.31 1t60 n LEU 141 Cb 0.48 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.57 1t60 n LEU 141 CO 0.57 -0.01 0.24 1.15 -1.11 0.00 0.00 177.39 178.22 1t60 n MET 142 N -4.46 0.59 -3.45 1.96 0.00 -1.05 -0.61 117.12 110.10 1t60 n MET 142 Ca -0.25 -1.53 -0.13 0.00 0.00 0.00 0.00 57.70 55.79 1t60 n MET 142 Cb 0.56 1.71 -0.03 0.00 0.00 0.00 0.00 33.22 35.45 1t60 n MET 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 1t60 s HIS 143 N -4.34 -0.54 0.05 3.17 -3.43 -0.09 -0.67 115.29 109.44 1t60 s HIS 143 Ca 0.13 0.48 -0.09 0.00 -0.80 0.00 0.00 55.06 54.78 1t60 s HIS 143 Cb -0.02 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1t60 s HIS 143 CO 0.10 -0.76 0.19 0.95 -2.00 0.00 0.00 174.74 173.21 1t60 s THR 144 N -3.14 0.12 0.00 -5.38 -4.23 -0.83 -1.59 115.64 100.60 1t60 s THR 144 Ca -0.01 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1t60 s THR 144 Cb -0.01 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.81 1t60 s THR 144 CO -0.08 -0.54 0.00 0.00 -0.54 0.00 0.00 174.62 173.46 1t60 n ALA 145 N 0.50 0.00 -1.74 3.99 0.00 -0.62 -0.84 120.51 121.79 1t60 n ALA 145 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1t60 n ALA 145 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1t60 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t60 n ALA 146 N -3.00 2.03 -0.78 0.00 0.00 -1.26 -4.59 120.51 112.90 1t60 n ALA 146 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1t60 n ALA 146 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1t60 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 147 N 1.17 3.14 0.41 0.00 0.00 -1.26 -1.66 105.19 106.98 1t60 n GLY 147 Ca 0.05 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.99 1t60 n GLY 147 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t60 n ASP 148 N 2.87 2.70 -4.84 1.61 3.85 -1.26 -5.03 116.55 116.45 1t60 n ASP 148 Ca 0.00 -3.19 -0.32 0.00 -0.71 0.00 0.00 54.79 50.57 1t60 n ASP 148 Cb 0.00 -0.48 -0.04 0.00 -1.35 0.00 0.00 41.12 39.25 1t60 n ASP 148 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1t60 s GLU 149 N -2.93 3.97 0.00 0.11 0.41 -0.67 -4.91 118.70 114.69 1t60 s GLU 149 Ca 0.36 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 1t60 s GLU 149 Cb 0.31 -2.20 0.00 0.00 -1.78 0.00 0.00 34.13 30.46 1t60 s GLU 149 CO 0.03 -0.17 0.00 0.41 -0.49 0.00 0.00 175.26 175.05 1t60 n GLY 150 N -1.30 -0.67 0.00 -1.39 0.00 -1.26 -1.60 105.19 98.97 1t60 n GLY 150 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1t60 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t60 n GLY 151 N 0.00 -0.66 3.80 -0.02 0.00 -0.62 -4.77 105.19 102.92 1t60 n GLY 151 Ca 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 1t60 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1t60 s GLY 152 N 0.00 -0.12 0.20 -0.02 0.00 -1.26 -0.91 107.32 105.20 1t60 s GLY 152 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.68 1t60 s GLY 152 CO 0.00 0.18 0.26 1.20 0.00 0.00 0.00 173.10 174.75 1t60 s GLN 153 N -3.26 3.24 -0.17 2.90 -1.52 0.22 -4.94 119.66 116.13 1t60 s GLN 153 Ca 0.13 -0.79 -0.25 0.00 -1.95 0.00 0.00 55.36 52.50 1t60 s GLN 153 Cb -0.03 -2.81 -0.01 0.00 -0.22 0.00 0.00 33.01 29.94 1t60 s GLN 153 CO 0.04 0.46 0.83 0.45 -0.25 0.00 0.00 175.29 176.82 1t60 s SER 154 N -3.56 6.94 0.00 5.90 0.15 -1.26 -4.91 113.70 116.97 1t60 s SER 154 Ca 0.33 1.16 0.08 0.00 0.70 0.00 0.00 55.95 58.22 1t60 s SER 154 Cb -0.10 -2.45 0.39 0.00 -1.71 0.00 0.00 66.02 62.16 1t60 s SER 154 CO 0.27 -0.40 1.15 0.18 1.20 0.00 0.00 173.24 175.64 1t60 n LEU 155 N 5.27 0.00 -0.00 3.45 4.77 -1.26 -0.85 117.00 128.38 1t60 n LEU 155 Ca 0.04 0.33 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1t60 n LEU 155 Cb 0.49 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.14 1t60 n LEU 155 CO 0.48 -0.24 -0.08 0.55 -1.33 0.00 0.00 177.39 176.77 1t60 n VAL 156 N -1.33 0.00 -3.08 4.08 3.14 -1.26 -4.57 118.33 115.31 1t60 n VAL 156 Ca 0.03 -0.09 -0.35 0.00 -2.96 0.00 0.00 64.34 60.97 1t60 n VAL 156 Cb 0.07 0.95 -0.06 0.00 -1.06 0.00 0.00 33.84 33.73 1t60 n VAL 156 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1t60 s SER 157 N -2.79 7.00 0.63 6.55 0.15 -0.03 -1.57 113.70 123.65 1t60 s SER 157 Ca 0.06 1.42 0.42 0.00 0.70 0.00 0.00 55.95 58.55 1t60 s SER 157 Cb 0.14 -2.42 2.26 0.00 -1.71 0.00 0.00 66.02 64.29 1t60 s SER 157 CO 0.74 -0.04 2.29 -0.65 1.20 0.00 0.00 173.24 176.78 1t60 h PRO 158 N 3.08 0.00 0.00 5.44 0.11 -1.84 -1.67 132.00 137.12 1t60 h PRO 158 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1t60 h PRO 158 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1t60 h PRO 158 CO 0.65 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.22 1t60 h GLY 159 N 0.13 0.00 -0.64 -0.55 0.00 -1.85 -0.83 103.07 99.32 1t60 h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1t60 h GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1t60 n SER 160 N -2.43 1.65 -3.85 0.19 3.41 -0.63 -4.59 113.62 107.37 1t60 n SER 160 Ca 0.00 -1.57 -0.30 0.00 -0.26 0.00 0.00 58.87 56.74 1t60 n SER 160 Cb 0.15 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 1t60 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1t60 s LEU 162 N -0.07 4.46 0.32 0.00 1.43 -0.89 -4.77 118.68 119.15 1t60 s LEU 162 Ca 0.18 1.23 0.04 0.00 -1.03 0.00 0.00 54.13 54.55 1t60 s LEU 162 Cb -0.25 -2.95 0.54 0.00 0.03 0.00 0.00 46.19 43.56 1t60 s LEU 162 CO -0.00 0.15 1.81 -0.33 0.23 0.00 0.00 176.35 178.20 1t60 h GLU 163 N 5.29 0.46 -5.08 1.70 5.08 -1.88 0.31 114.58 120.46 1t60 h GLU 163 Ca -0.46 -0.13 -0.66 0.00 -1.00 0.00 0.00 59.36 57.10 1t60 h GLU 163 Cb 1.20 -0.05 -0.31 0.00 0.50 0.00 0.00 28.75 30.10 1t60 h GLU 163 CO 0.68 0.59 -0.79 0.34 -1.00 0.00 0.00 179.01 178.83 1t60 s ASP 164 N -6.79 3.75 0.21 1.42 3.68 -1.26 -4.61 116.67 113.07 1t60 s ASP 164 Ca -0.07 -0.49 -0.30 0.00 2.13 0.00 0.00 52.55 53.82 1t60 s ASP 164 Cb 0.15 -1.61 -0.08 0.00 -1.45 0.00 0.00 42.92 39.93 1t60 s ASP 164 CO 0.77 0.02 1.16 0.12 0.13 0.00 0.00 175.17 177.37 1t60 s PHE 165 N 1.20 3.48 -0.04 -5.34 2.19 -1.26 -4.95 117.98 113.26 1t60 s PHE 165 Ca 0.02 1.52 -0.01 0.00 0.33 0.00 0.00 56.93 58.79 1t60 s PHE 165 Cb -0.14 -3.38 0.03 0.00 -1.31 0.00 0.00 43.02 38.22 1t60 s PHE 165 CO -0.05 -0.96 0.08 1.03 1.83 0.00 0.00 175.22 177.14 1t60 s ARG 166 N -0.62 0.02 0.28 10.12 1.81 -1.26 -5.02 118.95 124.28 1t60 s ARG 166 Ca 0.50 0.25 -0.02 0.00 -1.72 0.00 0.00 55.73 54.74 1t60 s ARG 166 Cb -0.32 -0.19 0.40 0.00 -0.45 0.00 0.00 34.95 34.39 1t60 s ARG 166 CO 0.38 -0.15 1.87 0.00 -0.68 0.00 0.00 175.30 176.72 1t60 h ALA 167 N 7.13 1.26 -3.01 2.13 0.00 -1.99 -3.31 119.26 121.48 1t60 h ALA 167 Ca -0.42 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 53.71 1t60 h ALA 167 Cb 1.14 -0.26 -0.41 0.00 0.00 0.00 0.00 17.79 18.27 1t60 h ALA 167 CO 0.46 0.55 -0.70 0.99 0.00 0.00 0.00 179.25 180.54 1t60 s THR 168 N -5.44 1.92 -1.84 0.00 2.01 -1.26 -4.10 115.64 106.92 1t60 s THR 168 Ca -0.10 -3.22 0.31 0.00 0.31 0.00 0.00 61.69 58.99 1t60 s THR 168 Cb 0.16 -2.31 0.79 0.00 0.01 0.00 0.00 72.50 71.16 1t60 s THR 168 CO 0.80 -0.96 2.16 -0.81 -0.69 0.00 0.00 174.62 175.13 1t60 n PRO 169 N 2.91 0.83 -4.14 4.92 -0.04 -1.25 -4.88 135.00 133.35 1t60 n PRO 169 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1t60 n PRO 169 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1t60 n PRO 169 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1t60 s PHE 170 N -2.16 0.77 0.14 0.54 -0.71 -1.26 -0.75 117.98 114.55 1t60 s PHE 170 Ca 0.42 -1.07 0.08 0.00 -1.04 0.00 0.00 56.93 55.32 1t60 s PHE 170 Cb 0.21 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 1t60 s PHE 170 CO 0.39 -0.34 -0.19 -1.50 -1.34 0.00 0.00 175.22 172.24 1t60 s ILE 171 N -3.85 1.72 -0.18 -4.49 2.07 0.71 -4.77 121.20 112.40 1t60 s ILE 171 Ca 0.14 -1.76 -0.08 0.00 -1.41 0.00 0.00 60.65 57.55 1t60 s ILE 171 Cb 0.07 -1.70 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 1t60 s ILE 171 CO -0.04 -0.24 0.07 -0.70 -1.91 0.00 0.00 174.94 172.12 1t60 s GLU 172 N -2.46 3.99 -0.16 3.50 2.12 -1.06 -2.08 118.70 122.54 1t60 s GLU 172 Ca 0.12 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.11 1t60 s GLU 172 Cb -0.07 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1t60 s GLU 172 CO 0.05 0.27 -0.16 0.00 -0.54 0.00 0.00 175.26 174.89 1t60 s ASN 174 N 0.87 6.15 0.00 0.00 3.84 0.13 -2.03 114.94 123.91 1t60 s ASN 174 Ca -0.04 0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.49 1t60 s ASN 174 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1t60 s ASN 174 CO -0.01 -1.65 0.21 0.61 -2.79 0.00 0.00 177.10 173.46 1t60 n GLY 175 N 5.23 -1.52 0.27 1.21 0.00 -0.92 -1.87 105.19 107.58 1t60 n GLY 175 Ca 0.14 0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.64 1t60 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t60 h ALA 176 N -1.54 1.03 0.00 4.61 0.00 -1.85 -3.02 119.26 118.49 1t60 h ALA 176 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1t60 h ALA 176 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t60 h ALA 176 CO 0.00 0.08 -0.35 -0.09 0.00 0.00 0.00 179.25 178.90 1t60 h ARG 177 N 0.00 0.00 -0.67 0.00 2.43 -1.88 -3.47 114.38 110.79 1t60 h ARG 177 Ca -0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1t60 h ARG 177 Cb 0.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1t60 h ARG 177 CO 0.01 0.35 -0.14 0.41 -1.51 0.00 0.00 179.97 179.08 1t60 n GLY 178 N 0.37 0.38 3.27 2.80 0.00 -0.78 -4.96 105.19 106.26 1t60 n GLY 178 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1t60 n GLY 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t60 s THR 179 N -2.28 1.29 0.09 2.61 -4.23 -1.24 -2.15 115.64 109.73 1t60 s THR 179 Ca 0.00 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1t60 s THR 179 Cb 0.00 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1t60 s THR 179 CO 0.00 -0.71 -0.10 0.00 -0.54 0.00 0.00 174.62 173.27 1t60 s HIS 181 N -2.28 -0.30 -0.28 0.00 5.04 0.27 -1.10 115.29 116.65 1t60 s HIS 181 Ca 0.03 0.00 -0.08 0.00 -1.54 0.00 0.00 55.06 53.47 1t60 s HIS 181 Cb -0.04 0.62 -0.01 0.00 0.04 0.00 0.00 32.58 33.19 1t60 s HIS 181 CO -0.00 -0.91 0.09 0.71 -2.34 0.00 0.00 174.74 172.29 1t60 s TYR 182 N -3.57 3.12 0.12 3.88 1.51 -1.26 -2.57 117.35 118.59 1t60 s TYR 182 Ca 0.08 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1t60 s TYR 182 Cb -0.03 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1t60 s TYR 182 CO -0.02 -0.45 0.12 0.71 -1.11 0.00 0.00 175.55 174.79 1t60 s TYR 183 N 1.58 3.19 0.67 2.71 1.51 -1.26 -5.02 117.35 120.73 1t60 s TYR 183 Ca 0.05 0.04 0.41 0.00 -1.01 0.00 0.00 57.07 56.56 1t60 s TYR 183 Cb -0.16 -1.57 2.23 0.00 -0.11 0.00 0.00 41.96 42.34 1t60 s TYR 183 CO 0.04 0.52 2.27 0.00 -1.11 0.00 0.00 175.55 177.26 1t60 h ALA 184 N 2.81 1.11 -0.17 3.71 0.00 -2.02 -2.57 119.26 122.13 1t60 h ALA 184 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1t60 h ALA 184 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t60 h ALA 184 CO 0.65 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.09 1t60 n ASN 185 N -3.08 1.32 -4.70 0.00 6.94 -1.26 -4.88 115.26 109.60 1t60 n ASN 185 Ca -0.03 -1.76 -0.42 0.00 -0.02 0.00 0.00 54.58 52.36 1t60 n ASN 185 Cb 0.15 -0.11 -0.03 0.00 -2.36 0.00 0.00 39.78 37.43 1t60 n ASN 185 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1t60 s LYS 186 N -1.78 4.37 -0.02 -3.83 1.02 -0.97 -4.24 119.74 114.29 1t60 s LYS 186 Ca 0.27 1.82 0.04 0.00 0.02 0.00 0.00 55.97 58.11 1t60 s LYS 186 Cb 0.14 -3.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1t60 s LYS 186 CO 0.21 -0.40 -0.13 0.71 -0.92 0.00 0.00 175.35 174.82 1t60 s TYR 187 N 1.68 1.22 0.00 3.18 4.12 -0.02 -5.01 117.35 122.52 1t60 s TYR 187 Ca 0.60 -0.28 0.06 0.00 0.02 0.00 0.00 57.07 57.46 1t60 s TYR 187 Cb -0.29 -0.82 -0.03 0.00 -1.52 0.00 0.00 41.96 39.30 1t60 s TYR 187 CO 0.27 -0.08 -0.18 -1.54 0.02 0.00 0.00 175.55 174.04 1t60 s SER 188 N -0.07 3.76 -0.06 2.29 1.04 -1.26 -1.96 113.70 117.45 1t60 s SER 188 Ca 0.00 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1t60 s SER 188 Cb -0.08 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1t60 s SER 188 CO 0.00 0.30 -0.24 -0.36 0.98 0.00 0.00 173.24 173.92 1t60 s PHE 189 N -0.81 2.35 0.09 5.02 0.40 0.16 -4.97 117.98 120.22 1t60 s PHE 189 Ca 0.13 -0.70 0.05 0.00 -0.60 0.00 0.00 56.93 55.81 1t60 s PHE 189 Cb -0.10 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 1t60 s PHE 189 CO 0.03 -0.21 -0.13 -1.58 0.70 0.00 0.00 175.22 174.03 1t60 s TRP 190 N -0.15 1.22 0.47 0.36 0.52 -1.26 -0.86 118.94 119.24 1t60 s TRP 190 Ca -0.03 -0.54 -0.23 0.00 0.02 0.00 0.00 56.10 55.31 1t60 s TRP 190 Cb -0.13 -0.66 -0.07 0.00 -1.15 0.00 0.00 33.47 31.45 1t60 s TRP 190 CO 0.03 0.07 1.19 -0.51 0.02 0.00 0.00 176.95 177.75 1t60 s LEU 191 N -2.16 3.99 0.46 2.99 1.43 -0.65 -4.87 118.68 119.87 1t60 s LEU 191 Ca 0.03 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 1t60 s LEU 191 Cb -0.06 -4.25 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1t60 s LEU 191 CO 0.02 -1.00 0.68 0.42 0.23 0.00 0.00 176.35 176.71 1t60 s THR 192 N -1.52 3.84 -0.25 5.49 -4.23 -1.26 -0.99 115.64 116.72 1t60 s THR 192 Ca 0.65 -0.51 -0.17 0.00 -1.18 0.00 0.00 61.69 60.48 1t60 s THR 192 Cb -0.30 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 1t60 s THR 192 CO 0.36 -0.30 0.47 0.42 -0.54 0.00 0.00 174.62 175.03 1t60 s THR 193 N -2.58 5.11 -0.14 3.99 -4.23 -0.94 -4.11 115.64 112.74 1t60 s THR 193 Ca 0.49 0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 61.66 1t60 s THR 193 Cb -0.10 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1t60 s THR 193 CO 0.38 0.12 0.32 -0.63 -0.54 0.00 0.00 174.62 174.27 1t60 s ILE 194 N 2.11 5.28 0.19 2.99 1.01 0.29 -4.87 121.20 128.20 1t60 s ILE 194 Ca 0.20 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.36 1t60 s ILE 194 Cb -0.16 -3.65 0.10 0.00 0.01 0.00 0.00 42.46 38.76 1t60 s ILE 194 CO 0.09 0.40 1.70 -0.65 0.00 0.00 0.00 174.94 176.49 1t60 h PRO 195 N 6.47 1.09 -7.25 2.79 0.11 -1.97 -3.44 132.00 129.80 1t60 h PRO 195 Ca -0.42 -0.27 -0.52 0.00 0.11 0.00 0.00 66.00 64.89 1t60 h PRO 195 Cb 1.17 -0.14 0.16 0.00 0.11 0.00 0.00 31.00 32.30 1t60 h PRO 195 CO 0.74 0.98 0.31 -1.21 -0.21 0.00 0.00 178.00 178.61 1t60 s GLU 196 N -5.28 1.84 0.14 1.05 8.01 -1.26 -4.95 118.70 118.25 1t60 s GLU 196 Ca -0.12 1.50 -0.11 0.00 0.01 0.00 0.00 54.97 56.25 1t60 s GLU 196 Cb 0.14 -1.82 -0.03 0.00 -4.31 0.00 0.00 34.13 28.10 1t60 s GLU 196 CO 0.84 -2.01 1.49 0.37 0.01 0.00 0.00 175.26 175.96 1t60 h GLN 197 N -1.01 0.95 0.00 1.61 5.75 -2.00 -3.43 115.11 116.97 1t60 h GLN 197 Ca -0.45 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 57.57 1t60 h GLN 197 Cb 1.26 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1t60 h GLN 197 CO 0.48 1.14 0.00 -1.13 -2.65 0.00 0.00 178.83 176.66 1t60 n SER 198 N -4.08 0.00 -3.65 -0.69 3.41 -1.26 -5.10 113.62 102.24 1t60 n SER 198 Ca -0.02 -0.20 -0.26 0.00 -0.26 0.00 0.00 58.87 58.13 1t60 n SER 198 Cb 0.52 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.30 1t60 n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1t60 s PHE 199 N 0.00 0.42 -0.62 7.33 5.36 -1.26 -5.08 117.98 124.12 1t60 s PHE 199 Ca 0.00 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 55.53 1t60 s PHE 199 Cb 0.00 -0.77 0.16 0.00 -0.34 0.00 0.00 43.02 42.07 1t60 s PHE 199 CO 0.00 -0.51 0.44 -1.14 -1.46 0.00 0.00 175.22 172.55 1t60 s GLN 200 N 2.06 2.58 0.18 10.12 0.74 -1.26 -4.89 119.66 129.19 1t60 s GLN 200 Ca 0.02 -2.51 0.26 0.00 0.05 0.00 0.00 55.36 53.18 1t60 s GLN 200 Cb -0.16 -3.75 0.86 0.00 1.10 0.00 0.00 33.01 31.06 1t60 s GLN 200 CO -0.08 -1.17 1.79 0.41 -0.55 0.00 0.00 175.29 175.68 1t60 n GLY 201 N 3.54 -1.67 2.54 2.59 0.00 -1.26 -4.60 105.19 106.32 1t60 n GLY 201 Ca 0.08 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1t60 n GLY 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t60 s THR 202 N -3.09 -0.03 0.52 2.61 2.01 -1.26 -5.14 115.64 111.26 1t60 s THR 202 Ca 0.11 -1.14 -0.23 0.00 0.31 0.00 0.00 61.69 60.75 1t60 s THR 202 Cb 0.13 -1.01 -0.06 0.00 0.01 0.00 0.00 72.50 71.57 1t60 s THR 202 CO 0.59 -0.80 1.34 -2.84 -0.69 0.00 0.00 174.62 172.22 1t60 s PRO 203 N 1.66 3.33 -0.50 4.92 0.02 -1.26 -4.99 135.00 138.19 1t60 s PRO 203 Ca 0.13 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.25 1t60 s PRO 203 Cb -0.19 -2.35 0.13 0.00 0.02 0.00 0.00 34.50 32.11 1t60 s PRO 203 CO -0.19 -1.03 0.38 0.45 -0.33 0.00 0.00 177.00 176.29 1t60 s SER 204 N -0.93 5.80 0.39 2.53 0.15 -1.26 -5.06 113.70 115.31 1t60 s SER 204 Ca 0.68 -1.94 -0.26 0.00 0.70 0.00 0.00 55.95 55.13 1t60 s SER 204 Cb -0.39 -2.04 -0.11 0.00 -1.71 0.00 0.00 66.02 61.76 1t60 s SER 204 CO 0.47 -0.71 1.16 0.00 1.20 0.00 0.00 173.24 175.36 1t60 n ALA 205 N 4.90 0.74 -3.43 5.45 0.00 -1.26 -5.01 120.51 121.90 1t60 n ALA 205 Ca -0.08 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 1t60 n ALA 205 Cb 0.41 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 1t60 n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1t60 s ASP 206 N -0.56 -0.58 -0.16 0.00 3.68 -1.26 -5.14 116.67 112.65 1t60 s ASP 206 Ca 0.60 0.29 0.01 0.00 2.13 0.00 0.00 52.55 55.58 1t60 s ASP 206 Cb -0.56 0.56 0.01 0.00 -1.45 0.00 0.00 42.92 41.48 1t60 s ASP 206 CO 0.59 -0.80 -0.20 -0.89 0.13 0.00 0.00 175.17 174.00 1t60 s THR 207 N -2.62 2.19 -0.18 1.71 2.01 -1.26 -5.11 115.64 112.38 1t60 s THR 207 Ca -0.04 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.01 1t60 s THR 207 Cb -0.01 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1t60 s THR 207 CO -0.03 0.54 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.61 1t60 s LEU 208 N 0.99 2.91 0.71 4.42 1.43 -1.26 -5.11 118.68 122.77 1t60 s LEU 208 Ca -0.02 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1t60 s LEU 208 Cb -0.15 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1t60 s LEU 208 CO -0.05 0.08 1.10 -0.54 0.23 0.00 0.00 176.35 177.17 1t60 s LYS 209 N 0.88 2.83 0.00 1.70 1.02 -1.26 -5.02 119.74 119.88 1t60 s LYS 209 Ca -0.02 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1t60 s LYS 209 Cb -0.15 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1t60 s LYS 209 CO 0.01 -1.06 0.00 0.00 -0.92 0.00 0.00 175.35 173.38 1t60 n ALA 210 N -3.02 0.00 0.00 5.17 0.00 -1.26 -3.94 120.51 117.46 1t60 n ALA 210 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1t60 n ALA 210 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1t60 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t60 n GLY 211 N 0.00 0.41 2.80 0.00 0.00 -1.26 -4.51 105.19 102.62 1t60 n GLY 211 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1t60 n GLY 211 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1t60 s LEU 212 N 0.00 2.18 0.00 0.99 1.98 -1.25 -4.85 118.68 117.73 1t60 s LEU 212 Ca 0.00 -1.34 0.00 0.00 -2.89 0.00 0.00 54.13 49.90 1t60 s LEU 212 Cb 0.00 -0.91 0.00 0.00 0.66 0.00 0.00 46.19 45.94 1t60 s LEU 212 CO 0.00 -0.34 0.00 -0.38 -1.89 0.00 0.00 176.35 173.74 1t60 n ILE 213 N 4.82 0.00 0.09 6.68 5.41 -1.26 -4.65 119.36 130.44 1t60 n ILE 213 Ca -0.06 0.00 0.19 0.00 1.00 0.00 0.00 62.75 63.88 1t60 n ILE 213 Cb 0.44 0.00 0.73 0.00 -0.71 0.00 0.00 39.64 40.10 1t60 n ILE 213 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1t60 h ARG 214 N 0.00 0.00 0.00 0.38 3.08 -1.94 0.37 114.38 116.27 1t60 h ARG 214 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1t60 h ARG 214 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1t60 h ARG 214 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 1t60 n THR 215 N -4.14 0.21 0.45 2.04 -2.24 -1.26 -2.48 114.28 106.86 1t60 n THR 215 Ca 0.06 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.95 1t60 n THR 215 Cb 0.50 -0.65 0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1t60 n THR 215 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1t60 n HIS 216 N -1.26 0.00 -3.80 4.78 8.25 0.13 -4.82 115.22 118.50 1t60 n HIS 216 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1t60 n HIS 216 Cb 0.18 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 1t60 n HIS 216 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1t60 s ILE 217 N -1.03 5.15 0.46 1.59 -1.09 -1.03 -2.21 121.20 123.02 1t60 s ILE 217 Ca 0.11 0.10 -0.24 0.00 -2.23 0.00 0.00 60.65 58.39 1t60 s ILE 217 Cb 0.09 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.53 1t60 s ILE 217 CO 0.17 0.41 1.31 -0.24 -1.23 0.00 0.00 174.94 175.36 1t60 n SER 218 N 3.82 2.68 -4.96 3.58 2.88 -0.16 -4.66 113.62 116.79 1t60 n SER 218 Ca -0.16 1.07 -0.22 0.00 -1.33 0.00 0.00 58.87 58.24 1t60 n SER 218 Cb 0.52 -1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1t60 n SER 218 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1t60 s ARG 219 N -2.41 3.45 0.24 -1.46 1.81 -1.18 -1.27 118.95 118.13 1t60 s ARG 219 Ca 0.64 -0.67 -0.12 0.00 -1.72 0.00 0.00 55.73 53.85 1t60 s ARG 219 Cb -0.47 -2.85 -0.01 0.00 -0.45 0.00 0.00 34.95 31.17 1t60 s ARG 219 CO 0.56 0.38 0.45 0.00 -0.68 0.00 0.00 175.30 176.01 1t60 s GLN 221 N -4.02 0.25 -0.18 0.00 -0.21 -0.87 -1.31 119.66 113.32 1t60 s GLN 221 Ca 0.23 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 55.24 1t60 s GLN 221 Cb 0.00 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 1t60 s GLN 221 CO 0.09 -0.05 0.05 0.08 -2.12 0.00 0.00 175.29 173.34 1t60 s VAL 222 N -0.87 4.62 0.10 1.09 1.01 -0.16 -1.53 120.40 124.67 1t60 s VAL 222 Ca -0.10 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1t60 s VAL 222 Cb -0.06 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 1t60 s VAL 222 CO -0.00 0.46 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 1t60 s MET 224 N -1.92 0.78 0.50 0.00 -2.45 -0.04 -0.95 119.30 115.22 1t60 s MET 224 Ca 0.07 -0.54 -0.20 0.00 -1.25 0.00 0.00 55.69 53.76 1t60 s MET 224 Cb -0.10 -0.74 -0.08 0.00 1.25 0.00 0.00 34.83 35.17 1t60 s MET 224 CO 0.04 0.19 1.07 0.21 1.05 0.00 0.00 175.02 177.58 1t60 s LYS 225 N -0.74 3.67 0.00 4.11 2.20 -1.26 0.68 119.74 128.40 1t60 s LYS 225 Ca 0.01 1.46 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 1t60 s LYS 225 Cb -0.06 -2.09 0.00 0.00 -1.51 0.00 0.00 37.83 34.17 1t60 s LYS 225 CO 0.00 -0.56 0.00 0.09 -0.36 0.00 0.00 175.35 174.52