#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 1.17 3.79 4.50 0.00 -1.26 -5.09 105.19 108.29 1t60 n GLY 4 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1t60 n GLY 4 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1t60 s TYR 5 N -2.00 3.04 -0.12 1.61 6.14 -1.26 -4.91 117.35 119.87 1t60 s TYR 5 Ca 0.00 1.59 0.03 0.00 0.64 0.00 0.00 57.07 59.33 1t60 s TYR 5 Cb 0.00 -3.15 -0.00 0.00 0.42 0.00 0.00 41.96 39.23 1t60 s TYR 5 CO 0.00 -0.91 -0.21 -0.51 0.64 0.00 0.00 175.55 174.56 1t60 s LEU 6 N -3.17 2.22 -0.18 6.97 1.43 -1.26 -0.57 118.68 124.12 1t60 s LEU 6 Ca 0.64 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1t60 s LEU 6 Cb -0.20 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 1t60 s LEU 6 CO 0.25 0.14 0.28 -0.22 0.23 0.00 0.00 176.35 177.03 1t60 s LEU 7 N 0.45 4.21 -0.13 1.79 2.96 0.35 -4.87 118.68 123.45 1t60 s LEU 7 Ca -0.15 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1t60 s LEU 7 Cb -0.17 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1t60 s LEU 7 CO 0.06 0.08 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.33 1t60 s VAL 8 N 0.64 2.82 -0.02 1.68 1.01 -1.26 -0.48 120.40 124.79 1t60 s VAL 8 Ca 0.15 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1t60 s VAL 8 Cb -0.13 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1t60 s VAL 8 CO 0.04 0.53 -0.24 -0.54 0.00 0.00 0.00 175.10 174.88 1t60 s LYS 9 N 0.47 2.01 -0.19 2.72 1.02 -0.85 -4.90 119.74 120.02 1t60 s LYS 9 Ca -0.11 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.01 1t60 s LYS 9 Cb -0.16 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 1t60 s LYS 9 CO 0.05 0.50 -0.12 -1.01 -0.92 0.00 0.00 175.35 173.85 1t60 s HIS 10 N -0.51 2.86 0.22 3.18 3.76 -1.26 -1.62 115.29 121.91 1t60 s HIS 10 Ca 0.08 -1.19 0.15 0.00 -0.15 0.00 0.00 55.06 53.95 1t60 s HIS 10 Cb -0.10 -1.99 0.54 0.00 1.11 0.00 0.00 32.58 32.14 1t60 s HIS 10 CO -0.00 -0.61 1.68 0.66 -0.85 0.00 0.00 174.74 175.62 1t60 h SER 11 N 7.85 0.00 -1.36 1.40 4.64 -1.06 -3.47 113.55 121.55 1t60 h SER 11 Ca -0.41 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.57 1t60 h SER 11 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 1t60 h SER 11 CO 0.61 0.48 -0.35 0.00 -0.87 0.00 0.00 176.83 176.69 1t60 n GLN 12 N -3.67 -1.23 -4.19 4.77 6.02 -1.26 -4.95 117.38 112.87 1t60 n GLN 12 Ca -0.01 1.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.84 1t60 n GLN 12 Cb 0.55 -5.29 -0.09 0.00 1.02 0.00 0.00 30.24 26.44 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 -2.70 0.00 -1.70 5.09 -4.23 -1.26 -4.12 115.64 106.72 1t60 s THR 13 Ca 0.00 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1t60 s THR 13 Cb 0.00 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.49 1t60 s THR 13 CO 0.00 0.00 1.00 -0.90 -0.54 0.00 0.00 174.62 174.18 1t60 n ASP 14 N -0.69 1.02 -4.41 3.99 5.68 -1.26 -1.97 116.55 118.91 1t60 n ASP 14 Ca 0.03 -2.05 -0.33 0.00 -0.50 0.00 0.00 54.79 51.95 1t60 n ASP 14 Cb 0.64 -0.21 -0.14 0.00 -1.14 0.00 0.00 41.12 40.27 1t60 n ASP 14 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1t60 s GLN 15 N -1.69 2.74 0.34 0.11 -1.52 -1.26 -4.88 119.66 113.50 1t60 s GLN 15 Ca 0.09 -0.73 -0.28 0.00 -1.95 0.00 0.00 55.36 52.49 1t60 s GLN 15 Cb 0.05 -2.41 -0.10 0.00 -0.22 0.00 0.00 33.01 30.34 1t60 s GLN 15 CO 0.05 0.47 1.28 -1.83 -0.25 0.00 0.00 175.29 175.01 1t60 s GLU 16 N -0.35 4.33 0.60 2.91 -1.05 -1.26 -4.50 118.70 119.37 1t60 s GLU 16 Ca 0.03 2.14 -0.15 0.00 -0.15 0.00 0.00 54.97 56.85 1t60 s GLU 16 Cb -0.12 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.50 1t60 s GLU 16 CO 0.02 -0.18 1.04 -1.25 0.95 0.00 0.00 175.26 175.84 1t60 s PRO 17 N -1.83 3.41 -0.03 -4.83 0.04 -1.26 -5.00 135.00 125.49 1t60 s PRO 17 Ca 0.50 1.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.46 1t60 s PRO 17 Cb -0.38 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1t60 s PRO 17 CO 0.50 -0.73 0.40 -1.64 0.04 0.00 0.00 177.00 175.57 1t60 s MET 18 N -4.32 3.98 0.53 4.56 -1.94 -1.26 -4.66 119.30 116.18 1t60 s MET 18 Ca 0.61 0.38 -0.21 0.00 -1.71 0.00 0.00 55.69 54.76 1t60 s MET 18 Cb -0.14 -3.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.38 1t60 s MET 18 CO 0.40 0.59 1.16 0.00 -0.01 0.00 0.00 175.02 177.17 1t60 s PRO 20 N -3.09 3.40 0.21 0.00 0.02 -1.26 -4.85 135.00 129.43 1t60 s PRO 20 Ca 0.71 2.34 -0.31 0.00 0.02 0.00 0.00 61.00 63.75 1t60 s PRO 20 Cb -0.27 -2.46 -0.15 0.00 0.02 0.00 0.00 34.50 31.64 1t60 s PRO 20 CO 0.31 -1.01 1.18 0.28 -0.33 0.00 0.00 177.00 177.43 1t60 n VAL 21 N -0.62 1.16 0.00 3.83 0.31 -1.26 -0.95 118.33 120.81 1t60 n VAL 21 Ca 0.08 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1t60 n VAL 21 Cb 0.43 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 1t60 n VAL 21 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1t60 n GLY 22 N 1.86 2.66 3.44 2.92 0.00 -1.26 -5.03 105.19 109.78 1t60 n GLY 22 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.75 3.42 0.25 1.61 1.00 -0.12 -4.97 119.30 119.74 1t60 s MET 23 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 55.69 54.75 1t60 s MET 23 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 34.83 31.27 1t60 s MET 23 CO 0.00 -0.34 1.18 -0.80 0.00 0.00 0.00 175.02 175.06 1t60 s ASN 24 N 1.61 7.10 -0.16 3.03 0.01 -1.24 -4.59 114.94 120.70 1t60 s ASN 24 Ca 0.05 2.33 -0.26 0.00 -0.71 0.00 0.00 52.86 54.27 1t60 s ASN 24 Cb -0.16 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.86 1t60 s ASN 24 CO 0.05 -0.31 0.84 -0.75 -1.51 0.00 0.00 177.10 175.43 1t60 s LYS 25 N -0.97 4.31 0.00 -0.60 2.20 -1.26 0.18 119.74 123.60 1t60 s LYS 25 Ca 0.49 1.04 -0.12 0.00 -0.36 0.00 0.00 55.97 57.03 1t60 s LYS 25 Cb -0.34 -3.57 -0.32 0.00 -1.51 0.00 0.00 37.83 32.09 1t60 s LYS 25 CO 0.41 -0.33 0.88 -0.07 -0.36 0.00 0.00 175.35 175.89 1t60 h LEU 26 N 8.29 0.68 -7.00 5.43 3.38 -0.91 -3.48 115.31 121.71 1t60 h LEU 26 Ca -0.29 -0.83 0.19 0.00 0.09 0.00 0.00 57.88 57.03 1t60 h LEU 26 Cb 1.13 -0.22 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 1t60 h LEU 26 CO 0.84 1.68 0.67 -1.66 0.09 0.00 0.00 178.44 180.05 1t60 s TRP 27 N -2.60 -0.23 0.28 1.13 -2.14 -1.21 -5.02 118.94 109.15 1t60 s TRP 27 Ca -0.11 0.15 0.11 0.00 2.66 0.00 0.00 56.10 58.91 1t60 s TRP 27 Cb 0.05 0.52 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1t60 s TRP 27 CO 0.90 -0.35 -0.13 -1.54 -2.66 0.00 0.00 176.95 173.17 1t60 s SER 28 N -2.27 3.90 0.00 -2.66 1.04 -1.26 -1.01 113.70 111.44 1t60 s SER 28 Ca 0.07 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1t60 s SER 28 Cb -0.01 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1t60 s SER 28 CO -0.06 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1t60 n GLY 29 N -0.73 1.96 3.36 7.32 0.00 -0.20 -4.38 105.19 112.53 1t60 n GLY 29 Ca -0.05 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.74 2.44 -0.64 1.61 1.51 0.35 -1.85 117.35 120.02 1t60 s TYR 30 Ca 0.00 -0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 55.44 1t60 s TYR 30 Cb 0.00 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.29 1t60 s TYR 30 CO 0.00 0.04 1.85 -1.12 -1.11 0.00 0.00 175.55 175.20 1t60 s SER 31 N -0.67 5.29 -0.20 2.29 0.01 -0.76 -1.32 113.70 118.34 1t60 s SER 31 Ca 0.11 0.23 -0.21 0.00 1.31 0.00 0.00 55.95 57.38 1t60 s SER 31 Cb -0.10 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1t60 s SER 31 CO -0.00 -2.39 0.65 -0.22 0.41 0.00 0.00 173.24 171.69 1t60 s LEU 32 N 9.05 4.15 -0.18 2.44 2.96 0.59 -1.43 118.68 136.26 1t60 s LEU 32 Ca 0.66 0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 55.29 1t60 s LEU 32 Cb -0.12 -2.92 -0.08 0.00 0.50 0.00 0.00 46.19 43.57 1t60 s LEU 32 CO 0.19 -0.29 -0.14 -0.11 -1.32 0.00 0.00 176.35 174.68 1t60 n LEU 33 N 5.08 1.86 -3.53 -0.68 7.94 -0.06 -4.63 117.00 122.97 1t60 n LEU 33 Ca -0.01 0.50 -0.09 0.00 -1.11 0.00 0.00 56.01 55.30 1t60 n LEU 33 Cb 0.50 -0.86 -0.02 0.00 0.53 0.00 0.00 43.42 43.56 1t60 n LEU 33 CO 0.44 -0.15 0.60 -0.72 -1.11 0.00 0.00 177.39 176.45 1t60 s TYR 34 N -2.43 -0.37 0.15 1.96 1.13 -1.04 -1.71 117.35 115.06 1t60 s TYR 34 Ca -0.23 0.17 0.06 0.00 -1.41 0.00 0.00 57.07 55.66 1t60 s TYR 34 Cb 0.05 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1t60 s TYR 34 CO 0.37 -0.70 0.04 -0.06 -2.51 0.00 0.00 175.55 172.70 1t60 s PHE 35 N -3.35 2.96 -0.19 -3.49 0.08 0.00 -0.60 117.98 113.40 1t60 s PHE 35 Ca 0.05 -0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.02 1t60 s PHE 35 Cb -0.01 -1.45 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1t60 s PHE 35 CO -0.08 0.51 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.51 1t60 s GLU 36 N -2.87 1.38 -0.12 0.44 2.12 -0.50 -0.36 118.70 118.78 1t60 s GLU 36 Ca 0.28 -0.65 0.02 0.00 0.36 0.00 0.00 54.97 54.98 1t60 s GLU 36 Cb -0.10 -2.21 0.01 0.00 0.26 0.00 0.00 34.13 32.10 1t60 s GLU 36 CO 0.20 -0.52 -0.18 0.20 -0.54 0.00 0.00 175.26 174.43 1t60 s GLY 37 N 1.59 1.17 -1.40 -1.50 0.00 -0.91 -2.24 107.32 104.04 1t60 s GLY 37 Ca -0.02 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.75 1t60 s GLY 37 CO -0.07 0.14 0.98 -1.06 0.00 0.00 0.00 173.10 173.09 1t60 n GLN 38 N 4.17 -6.87 -4.04 2.90 1.13 -1.26 -2.17 117.38 111.23 1t60 n GLN 38 Ca -0.19 0.84 -0.29 0.00 -1.94 0.00 0.00 57.00 55.42 1t60 n GLN 38 Cb 0.51 -5.79 -0.02 0.00 0.11 0.00 0.00 30.24 25.05 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 -4.62 -3.39 -3.75 -1.09 4.71 -1.26 -4.97 120.64 106.27 1t60 n GLU 39 Ca -0.03 0.40 -0.23 0.00 -0.01 0.00 0.00 57.16 57.29 1t60 n GLU 39 Cb 0.58 -4.77 -0.17 0.00 -1.01 0.00 0.00 31.44 26.06 1t60 n GLU 39 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1t60 s LYS 40 N -6.69 0.54 0.29 3.49 2.47 -0.92 -4.94 119.74 113.97 1t60 s LYS 40 Ca 0.29 0.06 -0.28 0.00 -1.56 0.00 0.00 55.97 54.48 1t60 s LYS 40 Cb -0.16 -1.10 -0.09 0.00 -1.46 0.00 0.00 37.83 35.02 1t60 s LYS 40 CO 0.90 -0.36 1.00 0.00 0.16 0.00 0.00 175.35 177.05 1t60 s ALA 41 N 1.98 3.29 -0.16 3.13 0.00 -1.26 -2.13 121.76 126.61 1t60 s ALA 41 Ca 0.04 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1t60 s ALA 41 Cb -0.13 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1t60 s ALA 41 CO -0.06 0.04 -0.02 -1.58 0.00 0.00 0.00 175.76 174.14 1t60 s HIS 42 N -1.34 1.42 0.30 0.00 2.46 0.51 -4.96 115.29 113.67 1t60 s HIS 42 Ca 0.46 -0.92 -0.00 0.00 0.47 0.00 0.00 55.06 55.07 1t60 s HIS 42 Cb -0.25 -1.18 -0.04 0.00 -0.13 0.00 0.00 32.58 30.98 1t60 s HIS 42 CO 0.32 -0.58 0.50 -0.80 -2.47 0.00 0.00 174.74 171.72 1t60 s ASN 43 N 1.73 6.34 -0.08 9.88 0.01 -1.26 -0.82 114.94 130.73 1t60 s ASN 43 Ca 0.01 0.45 0.03 0.00 -0.71 0.00 0.00 52.86 52.64 1t60 s ASN 43 Cb -0.15 -2.03 -0.01 0.00 0.41 0.00 0.00 41.25 39.46 1t60 s ASN 43 CO -0.07 -0.21 -0.19 -1.10 -1.51 0.00 0.00 177.10 174.01 1t60 s GLN 44 N -3.98 2.87 -0.02 -0.60 -1.52 -0.69 -4.98 119.66 110.74 1t60 s GLN 44 Ca 0.40 -0.80 -0.30 0.00 -1.95 0.00 0.00 55.36 52.71 1t60 s GLN 44 Cb -0.10 -2.37 -0.06 0.00 -0.22 0.00 0.00 33.01 30.26 1t60 s GLN 44 CO 0.33 0.35 1.67 0.34 -0.25 0.00 0.00 175.29 177.72 1t60 s ASP 45 N -0.04 6.65 0.00 5.90 -1.08 -1.26 -4.81 116.67 122.02 1t60 s ASP 45 Ca -0.05 2.31 0.06 0.00 -0.52 0.00 0.00 52.55 54.35 1t60 s ASP 45 Cb -0.14 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.07 1t60 s ASP 45 CO 0.05 -0.92 1.14 0.18 0.52 0.00 0.00 175.17 176.13 1t60 n LEU 46 N 6.78 0.00 -0.73 -1.34 4.77 -1.26 -1.19 117.00 124.03 1t60 n LEU 46 Ca 0.17 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1t60 n LEU 46 Cb 0.42 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1t60 n LEU 46 CO 0.63 -0.32 0.50 0.61 -1.33 0.00 0.00 177.39 177.48 1t60 n GLY 47 N -0.81 0.51 3.65 -0.72 0.00 -1.26 -4.18 105.19 102.39 1t60 n GLY 47 Ca 0.02 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.22 3.29 0.59 0.99 1.43 -0.33 -4.45 118.68 117.99 1t60 s LEU 48 Ca 0.24 -0.37 0.29 0.00 -1.03 0.00 0.00 54.13 53.27 1t60 s LEU 48 Cb 0.19 -1.97 1.69 0.00 0.03 0.00 0.00 46.19 46.13 1t60 s LEU 48 CO 0.42 0.11 2.11 0.00 0.23 0.00 0.00 176.35 179.22 1t60 h ALA 49 N 2.92 1.75 0.00 4.21 0.00 -1.89 -1.19 119.26 125.06 1t60 h ALA 49 Ca -0.47 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1t60 h ALA 49 Cb 1.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1t60 h ALA 49 CO 0.57 -0.28 -0.00 0.78 0.00 0.00 0.00 179.25 180.32 1t60 h GLY 50 N 0.00 0.00 0.21 0.00 0.00 -1.95 -0.32 103.07 101.00 1t60 h GLY 50 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 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 -3.34 0.67 -4.01 0.19 3.41 -0.45 -4.53 113.62 105.57 1t60 n SER 51 Ca -0.03 -1.35 -0.31 0.00 -0.26 0.00 0.00 58.87 56.91 1t60 n SER 51 Cb 0.08 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 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 0.44 4.23 0.26 0.00 2.96 -0.43 -4.78 118.68 121.36 1t60 s LEU 53 Ca 0.13 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1t60 s LEU 53 Cb -0.22 -2.71 0.53 0.00 0.50 0.00 0.00 46.19 44.29 1t60 s LEU 53 CO -0.05 -0.49 1.73 0.00 -1.32 0.00 0.00 176.35 176.22 1t60 h ALA 54 N 8.34 1.18 -3.05 5.97 0.00 -1.86 1.00 119.26 130.84 1t60 h ALA 54 Ca -0.27 0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.09 1t60 h ALA 54 Cb 1.12 0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 1t60 h ALA 54 CO 0.79 -0.21 -0.77 1.03 0.00 0.00 0.00 179.25 180.09 1t60 s ARG 55 N -5.98 3.26 0.56 0.00 0.52 -1.26 -4.53 118.95 111.51 1t60 s ARG 55 Ca -0.12 -0.69 -0.10 0.00 -0.52 0.00 0.00 55.73 54.30 1t60 s ARG 55 Cb 0.22 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 1t60 s ARG 55 CO 0.77 -0.16 0.94 0.12 0.02 0.00 0.00 175.30 176.99 1t60 s PHE 56 N 1.30 3.59 -0.27 -0.53 2.19 -1.26 -4.99 117.98 118.01 1t60 s PHE 56 Ca 0.04 1.14 -0.28 0.00 0.33 0.00 0.00 56.93 58.16 1t60 s PHE 56 Cb -0.14 -2.58 0.18 0.00 -1.31 0.00 0.00 43.02 39.16 1t60 s PHE 56 CO -0.05 -0.50 1.30 0.45 1.83 0.00 0.00 175.22 178.25 1t60 s SER 57 N -4.01 -0.13 0.54 6.13 0.15 -1.26 -5.00 113.70 110.12 1t60 s SER 57 Ca 0.53 0.19 0.31 0.00 0.70 0.00 0.00 55.95 57.68 1t60 s SER 57 Cb -0.11 0.17 1.44 0.00 -1.71 0.00 0.00 66.02 65.82 1t60 s SER 57 CO 0.48 -0.09 2.03 0.71 1.20 0.00 0.00 173.24 177.57 1t60 h THR 58 N 2.60 0.27 -2.64 6.45 1.35 -1.92 -3.32 112.91 115.70 1t60 h THR 58 Ca -0.18 -0.58 -0.60 0.00 -0.55 0.00 0.00 66.41 64.51 1t60 h THR 58 Cb 1.19 1.45 -0.39 0.00 -1.73 0.00 0.00 68.15 68.67 1t60 h THR 58 CO 0.21 0.08 -0.84 -0.32 -0.25 0.00 0.00 175.52 174.40 1t60 s MET 59 N -3.87 1.13 0.00 4.72 -2.45 -1.26 -3.83 119.30 113.74 1t60 s MET 59 Ca -0.01 -2.10 0.18 0.00 -1.25 0.00 0.00 55.69 52.51 1t60 s MET 59 Cb 0.11 -1.86 0.89 0.00 1.25 0.00 0.00 34.83 35.21 1t60 s MET 59 CO 0.56 -1.29 1.60 -0.35 1.05 0.00 0.00 175.02 176.58 1t60 n PRO 60 N 3.11 1.31 -4.29 4.11 -0.04 -1.25 -4.91 135.00 133.03 1t60 n PRO 60 Ca 0.20 -0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 63.05 1t60 n PRO 60 Cb 0.41 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.90 1.46 0.20 0.54 -0.71 -1.26 -5.09 117.98 111.21 1t60 s PHE 61 Ca 0.28 -1.25 -0.01 0.00 -1.04 0.00 0.00 56.93 54.91 1t60 s PHE 61 Cb 0.14 -0.81 -0.04 0.00 -1.21 0.00 0.00 43.02 41.09 1t60 s PHE 61 CO 0.22 -0.43 0.12 -0.48 -1.34 0.00 0.00 175.22 173.31 1t60 s LEU 62 N -3.28 1.22 0.06 -1.99 0.05 -1.26 -4.48 118.68 109.00 1t60 s LEU 62 Ca 0.38 -1.38 -0.00 0.00 0.05 0.00 0.00 54.13 53.18 1t60 s LEU 62 Cb 0.07 0.35 -0.04 0.00 -2.05 0.00 0.00 46.19 44.52 1t60 s LEU 62 CO 0.14 -0.82 -0.04 -0.72 -0.55 0.00 0.00 176.35 174.35 1t60 s TYR 63 N -4.12 0.61 0.10 3.48 -0.85 -0.78 -4.98 117.35 110.81 1t60 s TYR 63 Ca 0.38 -1.00 0.03 0.00 -0.52 0.00 0.00 57.07 55.97 1t60 s TYR 63 Cb 0.07 -0.41 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 1t60 s TYR 63 CO 0.12 -0.31 -0.09 0.00 -1.52 0.00 0.00 175.55 173.75 1t60 s ASN 65 N -2.68 3.38 0.59 0.00 2.20 -0.64 -5.00 114.94 112.79 1t60 s ASN 65 Ca 0.08 -1.24 0.29 0.00 -0.94 0.00 0.00 52.86 51.05 1t60 s ASN 65 Cb -0.00 -0.29 1.36 0.00 -2.00 0.00 0.00 41.25 40.32 1t60 s ASN 65 CO -0.01 -0.32 1.74 -0.65 -2.94 0.00 0.00 177.10 174.93 1t60 h PRO 66 N 2.05 0.00 -1.10 3.55 0.11 -2.02 -2.50 132.00 132.10 1t60 h PRO 66 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.71 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 1t60 n GLY 67 N -1.58 1.33 4.02 -0.55 0.00 -1.26 -4.78 105.19 102.37 1t60 n GLY 67 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 0.48 -3.87 -4.14 1.61 10.43 -0.94 -4.96 116.55 115.15 1t60 n ASP 68 Ca 0.00 -0.86 -0.24 0.00 2.57 0.00 0.00 54.79 56.27 1t60 n ASP 68 Cb 0.30 -3.14 -0.15 0.00 1.84 0.00 0.00 41.12 39.97 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 1.28 0.11 2.53 1.01 -1.24 -5.02 120.40 115.83 1t60 s VAL 69 Ca 0.68 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 62.02 1t60 s VAL 69 Cb -0.36 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1t60 s VAL 69 CO 0.84 0.35 -0.15 0.00 0.00 0.00 0.00 175.10 176.14 1t60 s TYR 71 N -1.77 1.00 -0.11 0.00 2.02 0.58 -4.98 117.35 114.10 1t60 s TYR 71 Ca 0.06 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.56 1t60 s TYR 71 Cb -0.07 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 40.82 1t60 s TYR 71 CO 0.03 -0.07 -0.21 -0.47 -1.57 0.00 0.00 175.55 173.26 1t60 s TYR 72 N -0.01 2.39 -1.58 2.71 6.14 -1.26 -1.86 117.35 123.87 1t60 s TYR 72 Ca 0.00 -1.06 -0.17 0.00 0.64 0.00 0.00 57.07 56.49 1t60 s TYR 72 Cb -0.07 -1.63 0.14 0.00 0.42 0.00 0.00 41.96 40.83 1t60 s TYR 72 CO 0.00 -0.46 0.71 0.00 0.64 0.00 0.00 175.55 176.44 1t60 n ALA 73 N 3.79 -1.20 -0.97 3.97 0.00 -1.26 -4.84 120.51 120.00 1t60 n ALA 73 Ca -0.20 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.34 1t60 n ALA 73 Cb 0.52 -3.28 0.16 0.00 0.00 0.00 0.00 19.45 16.85 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 -2.54 2.75 0.00 0.00 7.64 -1.26 -4.71 113.62 115.50 1t60 n SER 74 Ca 0.06 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1t60 n SER 74 Cb 0.50 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.10 0.00 -1.81 1.43 0.63 -1.26 -5.08 116.66 109.47 1t60 n ARG 75 Ca 0.16 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.11 1t60 n ARG 75 Cb 0.68 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.64 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 1.47 -4.67 6.15 4.05 -1.26 -4.83 115.26 116.18 1t60 n ASN 76 Ca 0.00 -2.32 -0.26 0.00 0.45 0.00 0.00 54.58 52.45 1t60 n ASN 76 Cb 0.00 -0.38 0.11 0.00 1.23 0.00 0.00 39.78 40.74 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 -2.75 4.28 0.36 1.20 -0.00 -1.26 -4.94 116.67 113.56 1t60 s ASP 77 Ca 0.33 0.19 -0.10 0.00 -0.00 0.00 0.00 52.55 52.98 1t60 s ASP 77 Cb 0.37 -0.62 0.03 0.00 -0.00 0.00 0.00 42.92 42.70 1t60 s ASP 77 CO -0.11 -1.94 0.64 -1.59 -0.00 0.00 0.00 175.17 172.17 1t60 s LYS 78 N -5.37 2.07 0.05 8.23 -2.85 -0.95 -2.29 119.74 118.62 1t60 s LYS 78 Ca 0.65 -1.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.05 1t60 s LYS 78 Cb -0.08 0.54 -0.03 0.00 -2.06 0.00 0.00 37.83 36.20 1t60 s LYS 78 CO 0.47 -0.92 -0.05 -1.54 0.10 0.00 0.00 175.35 173.41 1t60 s SER 79 N -3.14 0.63 -0.03 0.03 1.04 -1.00 -1.41 113.70 109.82 1t60 s SER 79 Ca 0.22 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1t60 s SER 79 Cb -0.03 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 1t60 s SER 79 CO 0.15 -0.36 -0.14 -0.31 0.98 0.00 0.00 173.24 173.57 1t60 s TYR 80 N -2.28 1.31 0.07 5.02 2.02 0.23 -0.79 117.35 122.93 1t60 s TYR 80 Ca -0.05 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1t60 s TYR 80 Cb -0.04 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1t60 s TYR 80 CO -0.03 -0.09 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.17 1t60 s TRP 81 N -0.06 1.00 0.49 2.71 0.52 -0.91 -0.89 118.94 121.81 1t60 s TRP 81 Ca 0.00 -0.53 -0.23 0.00 0.02 0.00 0.00 56.10 55.37 1t60 s TRP 81 Cb -0.08 -0.57 -0.06 0.00 -1.15 0.00 0.00 33.47 31.61 1t60 s TRP 81 CO 0.01 -0.00 1.26 -0.51 0.02 0.00 0.00 176.95 177.72 1t60 s LEU 82 N -1.90 3.96 0.46 2.99 1.43 -0.51 -0.53 118.68 124.59 1t60 s LEU 82 Ca -0.02 2.53 0.06 0.00 -1.03 0.00 0.00 54.13 55.67 1t60 s LEU 82 Cb -0.08 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 1t60 s LEU 82 CO 0.01 -1.19 0.21 -0.94 0.23 0.00 0.00 176.35 174.67 1t60 s SER 83 N -1.13 4.43 0.00 2.29 1.04 0.42 -1.35 113.70 119.39 1t60 s SER 83 Ca 0.66 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1t60 s SER 83 Cb -0.34 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.69 1t60 s SER 83 CO 0.41 -0.74 0.00 0.35 0.98 0.00 0.00 173.24 174.25 1t60 n THR 84 N -1.37 0.00 0.67 2.02 -2.24 -0.73 -4.50 114.28 108.13 1t60 n THR 84 Ca -0.04 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 1t60 n THR 84 Cb 0.65 -0.93 0.20 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.72 0.55 -1.69 4.28 -2.24 -1.26 -4.93 114.28 108.28 1t60 n THR 85 Ca 0.00 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 1t60 n THR 85 Cb 0.00 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.73 1.20 -1.69 6.98 0.00 -1.26 -4.88 120.51 121.59 1t60 n ALA 86 Ca 0.14 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.58 1t60 n ALA 86 Cb 0.36 -2.25 0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 1.06 1.24 -1.73 0.00 -0.04 -1.26 -4.89 135.00 129.38 1t60 n PRO 87 Ca 0.07 0.47 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 1t60 n PRO 87 Cb 0.34 -2.41 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 1t60 n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t60 s LEU 88 N -3.14 4.41 0.56 1.53 1.43 -1.26 -4.93 118.68 117.27 1t60 s LEU 88 Ca 0.76 2.59 -0.19 0.00 -1.03 0.00 0.00 54.13 56.26 1t60 s LEU 88 Cb -0.41 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.22 1t60 s LEU 88 CO 0.46 -1.04 1.15 -2.16 0.23 0.00 0.00 176.35 174.98 1t60 s PRO 89 N 4.41 3.26 0.58 1.29 0.04 -1.26 -4.90 135.00 138.42 1t60 s PRO 89 Ca 0.86 1.66 0.36 0.00 0.04 0.00 0.00 61.00 63.92 1t60 s PRO 89 Cb -0.41 -1.99 1.70 0.00 0.04 0.00 0.00 34.50 33.84 1t60 s PRO 89 CO 0.39 -0.94 2.11 1.98 0.04 0.00 0.00 177.00 180.59 1t60 h MET 90 N 1.11 0.00 -3.13 4.56 4.05 -2.01 -3.45 114.93 116.07 1t60 h MET 90 Ca -0.50 0.00 0.02 0.00 -0.28 0.00 0.00 59.70 58.94 1t60 h MET 90 Cb 1.27 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.99 1t60 h MET 90 CO 0.56 0.02 0.15 0.00 0.23 0.00 0.00 176.91 177.87 1t60 s MET 91 N -3.88 1.55 0.31 0.39 0.23 -1.26 -5.14 119.30 111.50 1t60 s MET 91 Ca -0.01 -0.86 -0.26 0.00 -1.03 0.00 0.00 55.69 53.52 1t60 s MET 91 Cb 0.11 0.57 -0.14 0.00 -1.53 0.00 0.00 34.83 33.84 1t60 s MET 91 CO 0.51 -0.69 0.78 -2.30 -2.03 0.00 0.00 175.02 171.29 1t60 n PRO 92 N -0.41 0.85 -3.82 3.16 -0.02 -1.26 -4.97 135.00 128.53 1t60 n PRO 92 Ca -0.08 0.30 -0.37 0.00 -2.02 0.00 0.00 63.50 61.33 1t60 n PRO 92 Cb 0.61 -1.57 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.16 5.44 0.03 -1.45 -7.23 -0.39 -4.92 120.40 110.73 1t60 s VAL 93 Ca 0.61 0.29 0.06 0.00 -1.81 0.00 0.00 61.98 61.13 1t60 s VAL 93 Cb -0.72 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 1t60 s VAL 93 CO 0.58 0.60 -0.15 0.00 -0.31 0.00 0.00 175.10 175.83 1t60 s ALA 94 N -0.93 2.71 0.00 1.32 0.00 -1.26 -1.36 121.76 122.24 1t60 s ALA 94 Ca 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1t60 s ALA 94 Cb -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1t60 s ALA 94 CO 0.05 0.58 0.00 0.39 0.00 0.00 0.00 175.76 176.78 1t60 n GLU 95 N 1.59 0.00 0.23 0.00 1.02 -0.84 -1.30 120.64 121.34 1t60 n GLU 95 Ca -0.16 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.16 1t60 n GLU 95 Cb 0.52 0.00 0.85 0.00 -0.02 0.00 0.00 31.44 32.79 1t60 n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1t60 h GLU 96 N 0.00 0.00 0.00 3.49 4.39 -1.96 0.16 114.58 120.65 1t60 h GLU 96 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1t60 h GLU 96 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1t60 h GLU 96 CO 0.00 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.60 1t60 n ASP 97 N -3.48 0.00 0.10 1.42 10.43 -0.42 -2.61 116.55 121.99 1t60 n ASP 97 Ca 0.01 0.33 -0.19 0.00 2.57 0.00 0.00 54.79 57.52 1t60 n ASP 97 Cb 0.38 -0.41 -0.15 0.00 1.84 0.00 0.00 41.12 42.78 1t60 n ASP 97 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1t60 h ILE 98 N 0.00 1.31 -0.90 0.53 2.04 -0.82 -3.39 117.51 116.28 1t60 h ILE 98 Ca 0.00 -2.87 0.19 0.00 1.00 0.00 0.00 64.86 63.18 1t60 h ILE 98 Cb 0.18 2.91 -0.17 0.00 -0.74 0.00 0.00 36.82 39.00 1t60 h ILE 98 CO 0.00 0.85 -0.18 -0.09 0.00 0.00 0.00 178.15 178.73 1t60 h ARG 99 N 0.09 0.01 0.00 2.37 2.43 -1.65 0.22 114.38 117.85 1t60 h ARG 99 Ca -0.21 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1t60 h ARG 99 Cb 2.04 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 1t60 h ARG 99 CO 0.21 0.01 0.01 -2.30 -1.51 0.00 0.00 179.97 176.39 1t60 n PRO 100 N -5.55 0.12 0.01 0.20 -0.02 -1.26 -2.48 135.00 126.03 1t60 n PRO 100 Ca 0.15 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 1t60 n PRO 100 Cb 0.49 -1.91 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1t60 n PRO 100 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1t60 n TYR 101 N -2.15 0.16 -3.39 6.00 4.01 0.76 -4.52 117.16 118.04 1t60 n TYR 101 Ca -0.01 0.05 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 1t60 n TYR 101 Cb 0.04 -0.36 -0.08 0.00 -0.31 0.00 0.00 39.34 38.63 1t60 n TYR 101 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1t60 s ILE 102 N -3.22 5.19 0.58 -0.72 -1.09 -1.03 -1.77 121.20 119.14 1t60 s ILE 102 Ca 0.02 0.68 -0.19 0.00 -2.23 0.00 0.00 60.65 58.93 1t60 s ILE 102 Cb 0.15 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1t60 s ILE 102 CO 0.84 0.23 1.23 -0.55 -1.23 0.00 0.00 174.94 175.46 1t60 s SER 103 N 1.16 5.22 0.34 3.58 0.15 -0.46 -4.36 113.70 119.32 1t60 s SER 103 Ca 0.18 2.45 0.07 0.00 0.70 0.00 0.00 55.95 59.36 1t60 s SER 103 Cb -0.15 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 103 CO 0.08 -1.58 0.30 -0.13 1.20 0.00 0.00 173.24 173.12 1t60 s ARG 104 N -3.24 2.75 0.14 5.44 1.81 -0.83 -1.83 118.95 123.19 1t60 s ARG 104 Ca 0.76 -1.28 -0.12 0.00 -1.72 0.00 0.00 55.73 53.37 1t60 s ARG 104 Cb -0.32 -2.49 0.01 0.00 -0.45 0.00 0.00 34.95 31.69 1t60 s ARG 104 CO 0.35 0.09 0.34 0.00 -0.68 0.00 0.00 175.30 175.40 1t60 s SER 106 N -2.89 0.21 -0.23 0.00 0.01 -0.64 -1.03 113.70 109.12 1t60 s SER 106 Ca 0.10 -0.03 -0.07 0.00 1.31 0.00 0.00 55.95 57.26 1t60 s SER 106 Cb 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.19 1t60 s SER 106 CO -0.06 0.01 0.07 -0.69 0.41 0.00 0.00 173.24 172.98 1t60 s VAL 107 N 0.05 4.43 -0.04 3.43 1.01 -0.18 -2.00 120.40 127.09 1t60 s VAL 107 Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1t60 s VAL 107 Cb -0.02 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 1t60 s VAL 107 CO -0.00 0.37 -0.24 0.00 0.00 0.00 0.00 175.10 175.23 1t60 s GLU 109 N -0.38 4.27 0.20 0.00 2.12 0.13 -0.50 118.70 124.55 1t60 s GLU 109 Ca 0.03 1.58 0.07 0.00 0.36 0.00 0.00 54.97 57.00 1t60 s GLU 109 Cb -0.12 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 1t60 s GLU 109 CO 0.02 -0.62 0.11 0.00 -0.54 0.00 0.00 175.26 174.22 1t60 s ALA 110 N 3.13 3.45 0.12 6.30 0.00 0.26 -3.66 121.76 131.36 1t60 s ALA 110 Ca 0.52 -1.36 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 1t60 s ALA 110 Cb -0.20 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1t60 s ALA 110 CO 0.14 0.40 1.68 -1.35 0.00 0.00 0.00 175.76 176.63 1t60 h PRO 111 N 2.14 0.42 -4.61 0.00 0.11 -1.93 -3.35 132.00 124.78 1t60 h PRO 111 Ca -0.47 -0.06 -0.41 0.00 0.11 0.00 0.00 66.00 65.16 1t60 h PRO 111 Cb 1.22 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1t60 h PRO 111 CO 0.61 0.41 -0.36 0.00 -0.21 0.00 0.00 178.00 178.45 1t60 s ALA 112 N -5.68 1.48 0.44 -0.75 0.00 -1.26 -4.75 121.76 111.25 1t60 s ALA 112 Ca -0.13 -1.89 -0.23 0.00 0.00 0.00 0.00 51.96 49.70 1t60 s ALA 112 Cb 0.09 1.35 -0.08 0.00 0.00 0.00 0.00 23.12 24.48 1t60 s ALA 112 CO 0.72 -0.72 1.15 0.08 0.00 0.00 0.00 175.76 176.99 1t60 s VAL 113 N -3.20 3.21 0.05 0.00 1.01 -1.26 -4.82 120.40 115.38 1t60 s VAL 113 Ca 0.37 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1t60 s VAL 113 Cb 0.01 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1t60 s VAL 113 CO 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 175.10 175.26 1t60 s ALA 114 N -1.55 2.90 0.18 5.51 0.00 -1.26 -3.46 121.76 124.08 1t60 s ALA 114 Ca 0.62 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1t60 s ALA 114 Cb -0.28 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1t60 s ALA 114 CO 0.34 0.61 0.05 0.96 0.00 0.00 0.00 175.76 177.73 1t60 s ILE 115 N -1.06 0.41 0.00 0.00 -4.36 -0.17 -4.70 121.20 111.33 1t60 s ILE 115 Ca 0.18 -1.96 0.07 0.00 -0.26 0.00 0.00 60.65 58.68 1t60 s ILE 115 Cb -0.11 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.34 1t60 s ILE 115 CO 0.09 -0.33 -0.23 0.00 0.24 0.00 0.00 174.94 174.71 1t60 s ALA 116 N -3.85 2.35 0.06 2.27 0.00 -0.37 -0.35 121.76 121.88 1t60 s ALA 116 Ca 0.28 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.17 1t60 s ALA 116 Cb 0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1t60 s ALA 116 CO 0.06 0.54 -0.22 0.14 0.00 0.00 0.00 175.76 176.28 1t60 s VAL 117 N -0.74 1.77 -0.02 0.00 -7.23 -0.60 -4.44 120.40 109.14 1t60 s VAL 117 Ca 0.12 -1.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.00 1t60 s VAL 117 Cb -0.10 -1.55 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1t60 s VAL 117 CO 0.01 0.16 -0.16 -1.00 -0.31 0.00 0.00 175.10 173.80 1t60 s HIS 118 N -0.90 1.50 -0.12 2.82 3.76 -1.26 -1.98 115.29 119.12 1t60 s HIS 118 Ca 0.08 -0.34 0.22 0.00 -0.15 0.00 0.00 55.06 54.87 1t60 s HIS 118 Cb -0.09 -0.99 -0.19 0.00 1.11 0.00 0.00 32.58 32.41 1t60 s HIS 118 CO 0.03 -0.07 0.72 -1.13 -0.85 0.00 0.00 174.74 173.43 1t60 n SER 119 N 2.87 0.37 -3.96 1.40 3.41 -0.73 -4.95 113.62 112.03 1t60 n SER 119 Ca -0.16 0.14 -0.30 0.00 -0.26 0.00 0.00 58.87 58.29 1t60 n SER 119 Cb 0.54 1.32 0.01 0.00 -0.26 0.00 0.00 64.21 65.82 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 -2.44 -4.91 -3.75 4.33 6.02 -1.26 -4.89 117.38 110.47 1t60 n GLN 120 Ca -0.02 0.55 -0.09 0.00 -0.01 0.00 0.00 57.00 57.42 1t60 n GLN 120 Cb 0.56 -5.34 -0.03 0.00 1.02 0.00 0.00 30.24 26.46 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 -3.46 -0.30 0.48 1.08 2.15 -1.26 -0.35 116.67 115.01 1t60 s ASP 121 Ca 0.59 -0.48 0.28 0.00 0.43 0.00 0.00 52.55 53.36 1t60 s ASP 121 Cb -0.30 0.63 1.01 0.00 -0.30 0.00 0.00 42.92 43.97 1t60 s ASP 121 CO 0.85 -1.15 1.85 -0.37 -0.17 0.00 0.00 175.17 176.19 1t60 h VAL 122 N 2.10 0.27 -4.16 1.11 -1.51 -1.86 -3.02 116.25 109.18 1t60 h VAL 122 Ca -0.26 -0.89 -0.48 0.00 -1.23 0.00 0.00 66.70 63.84 1t60 h VAL 122 Cb 1.26 1.71 0.04 0.00 -2.13 0.00 0.00 31.29 32.17 1t60 h VAL 122 CO 0.32 0.11 0.38 -0.94 -1.23 0.00 0.00 177.57 176.22 1t60 s SER 123 N -6.00 6.14 0.02 4.19 1.04 -1.26 -4.84 113.70 112.99 1t60 s SER 123 Ca 0.02 1.78 -0.28 0.00 0.48 0.00 0.00 55.95 57.95 1t60 s SER 123 Cb 0.09 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1t60 s SER 123 CO 0.61 -0.92 0.90 -0.63 0.98 0.00 0.00 173.24 174.18 1t60 s ILE 124 N -2.37 4.80 0.28 -1.02 -1.09 -1.26 -4.51 121.20 116.02 1t60 s ILE 124 Ca 0.63 1.91 -0.29 0.00 -2.23 0.00 0.00 60.65 60.67 1t60 s ILE 124 Cb -0.14 -4.25 -0.10 0.00 -1.58 0.00 0.00 42.46 36.39 1t60 s ILE 124 CO 0.31 0.23 1.20 -2.16 -1.23 0.00 0.00 174.94 173.29 1t60 s PRO 125 N 0.62 4.50 0.30 2.79 0.04 -1.26 -5.00 135.00 136.99 1t60 s PRO 125 Ca 0.47 1.98 -0.28 0.00 0.04 0.00 0.00 61.00 63.21 1t60 s PRO 125 Cb -0.21 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1t60 s PRO 125 CO 0.26 0.00 1.01 -1.01 0.04 0.00 0.00 177.00 177.30 1t60 s HIS 126 N -0.95 3.69 0.45 0.56 3.76 -1.26 -4.62 115.29 116.92 1t60 s HIS 126 Ca 0.48 1.78 -0.23 0.00 -0.15 0.00 0.00 55.06 56.94 1t60 s HIS 126 Cb -0.35 -3.08 -0.08 0.00 1.11 0.00 0.00 32.58 30.18 1t60 s HIS 126 CO 0.45 -0.06 1.12 0.00 -0.85 0.00 0.00 174.74 175.39 1t60 n PRO 128 N -0.48 0.92 -1.71 0.00 -0.02 -1.26 -4.84 135.00 127.61 1t60 n PRO 128 Ca 0.07 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 1t60 n PRO 128 Cb 0.49 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1t60 n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t60 n ALA 129 N -2.06 1.92 -0.47 3.55 0.00 -1.26 -1.46 120.51 120.72 1t60 n ALA 129 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1t60 n ALA 129 Cb 0.48 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 2.42 0.75 3.30 0.00 0.00 -1.26 -4.99 105.19 105.41 1t60 n GLY 130 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 2.01 0.21 1.61 0.52 -0.54 0.26 118.94 120.65 1t60 s TRP 131 Ca 0.00 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1t60 s TRP 131 Cb 0.00 -1.18 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1t60 s TRP 131 CO 0.00 0.14 -0.01 -0.98 0.02 0.00 0.00 176.95 176.11 1t60 s ARG 132 N -1.35 2.31 0.08 4.98 1.70 0.15 -4.72 118.95 122.11 1t60 s ARG 132 Ca 0.09 -1.25 -0.28 0.00 -0.47 0.00 0.00 55.73 53.83 1t60 s ARG 132 Cb -0.09 -2.26 -0.05 0.00 -0.57 0.00 0.00 34.95 31.98 1t60 s ARG 132 CO 0.02 0.42 0.88 0.45 -1.08 0.00 0.00 175.30 176.00 1t60 s SER 133 N -3.21 7.37 -0.16 -2.89 0.15 -1.26 -0.19 113.70 113.52 1t60 s SER 133 Ca 0.28 1.64 0.09 0.00 0.70 0.00 0.00 55.95 58.67 1t60 s SER 133 Cb -0.08 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.53 1t60 s SER 133 CO 0.19 -0.05 -0.01 0.18 1.20 0.00 0.00 173.24 174.75 1t60 n LEU 134 N 2.87 0.89 -3.61 3.45 4.77 -0.06 -4.93 117.00 120.38 1t60 n LEU 134 Ca 0.01 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.93 1t60 n LEU 134 Cb 0.50 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1t60 n LEU 134 CO 0.50 0.49 1.10 -1.66 -1.33 0.00 0.00 177.39 176.48 1t60 s TRP 135 N -2.36 -0.07 0.22 -1.77 -2.14 -1.22 -5.01 118.94 106.60 1t60 s TRP 135 Ca -0.12 0.03 0.12 0.00 2.66 0.00 0.00 56.10 58.78 1t60 s TRP 135 Cb 0.05 0.51 -0.05 0.00 -3.10 0.00 0.00 33.47 30.89 1t60 s TRP 135 CO 0.54 -0.13 -0.23 0.96 -2.66 0.00 0.00 176.95 175.44 1t60 s ILE 136 N -2.25 2.40 0.00 0.66 -4.36 -1.26 -0.90 121.20 115.49 1t60 s ILE 136 Ca 0.11 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1t60 s ILE 136 Cb 0.00 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.53 1t60 s ILE 136 CO -0.04 -0.19 0.00 0.61 0.24 0.00 0.00 174.94 175.56 1t60 n GLY 137 N 0.02 2.73 3.33 6.27 0.00 -0.63 -4.37 105.19 112.54 1t60 n GLY 137 Ca -0.10 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.98 2.29 -0.70 1.61 1.51 0.58 -1.84 117.35 119.81 1t60 s TYR 138 Ca 0.00 -0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 55.38 1t60 s TYR 138 Cb 0.00 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1t60 s TYR 138 CO 0.00 0.06 1.91 -1.12 -1.11 0.00 0.00 175.55 175.29 1t60 s SER 139 N -1.00 5.19 -0.37 2.29 0.01 -0.49 -2.30 113.70 117.03 1t60 s SER 139 Ca 0.11 0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.18 1t60 s SER 139 Cb -0.10 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.60 1t60 s SER 139 CO 0.01 -2.53 0.73 0.12 0.41 0.00 0.00 173.24 171.98 1t60 s PHE 140 N 9.55 3.12 -0.21 2.43 5.36 0.10 -1.86 117.98 136.47 1t60 s PHE 140 Ca 0.69 0.44 -0.16 0.00 -0.96 0.00 0.00 56.93 56.95 1t60 s PHE 140 Cb -0.11 -3.32 -0.09 0.00 -0.34 0.00 0.00 43.02 39.16 1t60 s PHE 140 CO 0.14 -0.71 -0.25 -0.11 -1.46 0.00 0.00 175.22 172.82 1t60 n LEU 141 N 6.30 1.91 0.00 6.12 7.94 -0.22 -4.48 117.00 134.57 1t60 n LEU 141 Ca 0.01 0.40 -0.07 0.00 -1.11 0.00 0.00 56.01 55.24 1t60 n LEU 141 Cb 0.48 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1t60 n LEU 141 CO 0.52 0.03 0.25 1.15 -1.11 0.00 0.00 177.39 178.23 1t60 n MET 142 N -4.42 0.63 -3.47 1.96 0.00 -1.06 -0.57 117.12 110.19 1t60 n MET 142 Ca -0.28 -1.61 -0.12 0.00 0.00 0.00 0.00 57.70 55.69 1t60 n MET 142 Cb 0.61 1.80 -0.03 0.00 0.00 0.00 0.00 33.22 35.60 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 -4.19 -0.50 0.03 3.17 -3.43 0.33 -0.70 115.29 109.99 1t60 s HIS 143 Ca 0.14 0.44 -0.06 0.00 -0.80 0.00 0.00 55.06 54.78 1t60 s HIS 143 Cb -0.02 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1t60 s HIS 143 CO 0.10 -0.70 0.10 0.95 -2.00 0.00 0.00 174.74 173.18 1t60 s THR 144 N -3.04 0.12 0.00 -5.38 -4.23 -0.86 -1.34 115.64 100.90 1t60 s THR 144 Ca 0.00 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1t60 s THR 144 Cb -0.01 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1t60 s THR 144 CO -0.08 -0.55 0.00 0.00 -0.54 0.00 0.00 174.62 173.46 1t60 n ALA 145 N 0.98 0.00 -1.72 3.99 0.00 -0.56 -0.91 120.51 122.29 1t60 n ALA 145 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 1t60 n ALA 145 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 1.84 -0.78 0.00 0.00 -1.26 -4.57 120.51 112.74 1t60 n ALA 146 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1t60 n ALA 146 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.10 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 1.42 3.31 0.12 0.00 0.00 -1.26 -1.92 105.19 106.86 1t60 n GLY 147 Ca 0.07 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 3.74 2.39 -4.84 1.61 3.85 -1.26 -5.03 116.55 117.02 1t60 n ASP 148 Ca 0.00 -2.83 -0.32 0.00 -0.71 0.00 0.00 54.79 50.93 1t60 n ASP 148 Cb 0.00 -0.34 -0.01 0.00 -1.35 0.00 0.00 41.12 39.42 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 -2.44 3.71 0.00 0.11 0.41 -0.81 -4.89 118.70 114.79 1t60 s GLU 149 Ca 0.26 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 55.77 1t60 s GLU 149 Cb 0.22 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1t60 s GLU 149 CO 0.03 -0.47 0.00 0.41 -0.49 0.00 0.00 175.26 174.74 1t60 n GLY 150 N -1.73 -0.68 0.00 -1.39 0.00 -1.26 -1.49 105.19 98.63 1t60 n GLY 150 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.78 3.81 -0.02 0.00 -0.45 -4.78 105.19 102.97 1t60 n GLY 151 Ca 0.00 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.06 0.27 -0.02 0.00 -1.26 -0.51 107.32 105.74 1t60 s GLY 152 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.63 1t60 s GLY 152 CO 0.00 0.40 0.20 1.20 0.00 0.00 0.00 173.10 174.90 1t60 s GLN 153 N -3.06 2.82 -0.18 2.90 -1.52 0.26 -4.94 119.66 115.94 1t60 s GLN 153 Ca 0.14 -1.15 -0.23 0.00 -1.95 0.00 0.00 55.36 52.18 1t60 s GLN 153 Cb -0.03 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 1t60 s GLN 153 CO 0.05 0.32 0.72 0.45 -0.25 0.00 0.00 175.29 176.58 1t60 s SER 154 N -3.86 6.80 0.35 5.90 0.15 -1.26 -4.91 113.70 116.86 1t60 s SER 154 Ca 0.35 0.98 0.24 0.00 0.70 0.00 0.00 55.95 58.22 1t60 s SER 154 Cb -0.07 -2.39 1.26 0.00 -1.71 0.00 0.00 66.02 63.11 1t60 s SER 154 CO 0.25 -0.33 1.74 -0.07 1.20 0.00 0.00 173.24 176.03 1t60 h LEU 155 N 8.25 0.00 -0.08 3.45 3.38 -1.95 -0.28 115.31 128.08 1t60 h LEU 155 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1t60 h LEU 155 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1t60 h LEU 155 CO 0.80 0.00 -0.78 0.55 0.09 0.00 0.00 178.44 179.10 1t60 n VAL 156 N -2.34 0.00 -3.21 1.22 3.14 -1.26 -4.54 118.33 111.34 1t60 n VAL 156 Ca -0.01 -0.02 -0.34 0.00 -2.96 0.00 0.00 64.34 61.01 1t60 n VAL 156 Cb 0.07 0.76 -0.06 0.00 -1.06 0.00 0.00 33.84 33.54 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 -2.95 6.87 0.60 6.55 0.15 -0.12 -1.23 113.70 123.57 1t60 s SER 157 Ca 0.10 1.24 0.32 0.00 0.70 0.00 0.00 55.95 58.31 1t60 s SER 157 Cb 0.17 -2.35 1.88 0.00 -1.71 0.00 0.00 66.02 64.00 1t60 s SER 157 CO 0.79 -0.04 2.24 -0.65 1.20 0.00 0.00 173.24 176.77 1t60 h PRO 158 N 2.98 0.00 0.00 5.44 0.11 -1.84 -1.74 132.00 136.96 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 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1t60 h PRO 158 CO 0.66 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.23 1t60 h GLY 159 N 0.00 0.00 -1.12 -0.55 0.00 -1.85 -0.93 103.07 98.61 1t60 h GLY 159 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 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 -2.88 1.95 -3.79 0.19 3.41 -0.65 -4.66 113.62 107.19 1t60 n SER 160 Ca -0.02 -1.81 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 1t60 n SER 160 Cb 0.07 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.15 4.28 0.38 0.00 1.43 -0.97 -4.81 118.68 120.14 1t60 s LEU 162 Ca 0.12 0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 1t60 s LEU 162 Cb -0.19 -2.30 0.77 0.00 0.03 0.00 0.00 46.19 44.50 1t60 s LEU 162 CO -0.16 0.18 1.92 -0.33 0.23 0.00 0.00 176.35 178.19 1t60 h GLU 163 N 6.28 0.29 -4.84 1.70 5.08 -1.89 0.17 114.58 121.36 1t60 h GLU 163 Ca -0.44 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.18 1t60 h GLU 163 Cb 1.17 -0.04 -0.29 0.00 0.50 0.00 0.00 28.75 30.09 1t60 h GLU 163 CO 0.72 0.40 -0.68 0.34 -1.00 0.00 0.00 179.01 178.79 1t60 s ASP 164 N -6.86 4.78 0.28 1.42 3.68 -1.26 -4.65 116.67 114.06 1t60 s ASP 164 Ca -0.06 -0.83 -0.29 0.00 2.13 0.00 0.00 52.55 53.50 1t60 s ASP 164 Cb 0.15 -1.78 -0.10 0.00 -1.45 0.00 0.00 42.92 39.75 1t60 s ASP 164 CO 0.74 -0.17 1.20 0.12 0.13 0.00 0.00 175.17 177.18 1t60 s PHE 165 N 1.41 3.35 -0.10 -5.34 2.19 -1.26 -4.97 117.98 113.26 1t60 s PHE 165 Ca 0.01 1.54 -0.05 0.00 0.33 0.00 0.00 56.93 58.76 1t60 s PHE 165 Cb -0.17 -3.46 0.05 0.00 -1.31 0.00 0.00 43.02 38.12 1t60 s PHE 165 CO -0.01 -1.17 0.22 1.03 1.83 0.00 0.00 175.22 177.13 1t60 s ARG 166 N -1.36 0.17 0.35 10.12 1.81 -1.26 -5.02 118.95 123.76 1t60 s ARG 166 Ca 0.48 0.52 0.03 0.00 -1.72 0.00 0.00 55.73 55.04 1t60 s ARG 166 Cb -0.35 -0.13 0.66 0.00 -0.45 0.00 0.00 34.95 34.67 1t60 s ARG 166 CO 0.45 -0.18 1.98 0.00 -0.68 0.00 0.00 175.30 176.87 1t60 h ALA 167 N 7.36 1.52 -2.85 2.13 0.00 -1.99 -3.26 119.26 122.16 1t60 h ALA 167 Ca -0.38 -0.08 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 1t60 h ALA 167 Cb 1.15 -0.22 -0.40 0.00 0.00 0.00 0.00 17.79 18.32 1t60 h ALA 167 CO 0.35 0.40 -0.74 0.99 0.00 0.00 0.00 179.25 180.25 1t60 s THR 168 N -5.50 1.66 -1.94 0.00 2.01 -1.26 -4.12 115.64 106.49 1t60 s THR 168 Ca -0.09 -3.22 0.24 0.00 0.31 0.00 0.00 61.69 58.93 1t60 s THR 168 Cb 0.17 -2.12 0.66 0.00 0.01 0.00 0.00 72.50 71.22 1t60 s THR 168 CO 0.76 -1.03 1.81 -0.81 -0.69 0.00 0.00 174.62 174.66 1t60 n PRO 169 N 2.77 0.71 -4.07 4.92 -0.04 -1.23 -4.86 135.00 133.20 1t60 n PRO 169 Ca 0.19 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1t60 n PRO 169 Cb 0.38 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.06 0.64 0.16 0.54 -0.71 -1.26 -0.44 117.98 114.86 1t60 s PHE 170 Ca 0.35 -1.05 0.07 0.00 -1.04 0.00 0.00 56.93 55.26 1t60 s PHE 170 Cb 0.17 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.60 1t60 s PHE 170 CO 0.29 -0.55 -0.15 -1.50 -1.34 0.00 0.00 175.22 171.97 1t60 s ILE 171 N -4.00 1.57 -0.14 -4.49 2.07 0.31 -4.76 121.20 111.77 1t60 s ILE 171 Ca 0.18 -1.96 -0.04 0.00 -1.41 0.00 0.00 60.65 57.42 1t60 s ILE 171 Cb 0.06 -1.81 -0.03 0.00 0.13 0.00 0.00 42.46 40.81 1t60 s ILE 171 CO -0.01 -0.48 0.00 -0.70 -1.91 0.00 0.00 174.94 171.84 1t60 s GLU 172 N -3.12 3.51 -0.13 3.50 2.12 -1.08 -2.13 118.70 121.37 1t60 s GLU 172 Ca 0.16 -0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.07 1t60 s GLU 172 Cb -0.03 -2.95 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 1t60 s GLU 172 CO 0.05 0.41 -0.19 0.00 -0.54 0.00 0.00 175.26 174.99 1t60 s ASN 174 N 0.54 6.13 0.00 0.00 3.84 0.15 -2.37 114.94 123.23 1t60 s ASN 174 Ca -0.12 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 52.45 1t60 s ASN 174 Cb -0.16 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.98 1t60 s ASN 174 CO 0.04 -1.85 0.32 0.61 -2.79 0.00 0.00 177.10 173.43 1t60 n GLY 175 N 5.56 -2.03 0.25 1.21 0.00 -0.97 -1.34 105.19 107.88 1t60 n GLY 175 Ca 0.07 0.43 0.12 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 -1.05 1.21 0.00 4.61 0.00 -1.84 -2.87 119.26 119.31 1t60 h ALA 176 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1t60 h ALA 176 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1t60 h ALA 176 CO 0.00 0.18 -0.34 -0.09 0.00 0.00 0.00 179.25 179.00 1t60 h ARG 177 N 0.00 0.00 -0.64 0.00 2.43 -1.78 -3.47 114.38 110.92 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 0.43 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1t60 h ARG 177 CO 0.02 0.34 -0.14 0.41 -1.51 0.00 0.00 179.97 179.09 1t60 n GLY 178 N 0.91 0.39 3.31 2.80 0.00 -0.45 -4.94 105.19 107.21 1t60 n GLY 178 Ca 0.02 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.27 1.58 0.11 2.61 -4.23 -1.24 -1.99 115.64 110.22 1t60 s THR 179 Ca 0.00 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 58.50 1t60 s THR 179 Cb 0.00 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1t60 s THR 179 CO 0.00 -0.55 -0.10 0.00 -0.54 0.00 0.00 174.62 173.43 1t60 s HIS 181 N -2.77 -0.21 -0.27 0.00 5.04 0.35 -1.26 115.29 116.17 1t60 s HIS 181 Ca 0.10 -0.07 -0.07 0.00 -1.54 0.00 0.00 55.06 53.48 1t60 s HIS 181 Cb -0.01 0.62 -0.01 0.00 0.04 0.00 0.00 32.58 33.22 1t60 s HIS 181 CO 0.00 -0.80 0.06 0.71 -2.34 0.00 0.00 174.74 172.37 1t60 s TYR 182 N -3.34 3.10 0.06 3.88 1.51 -1.26 -2.62 117.35 118.68 1t60 s TYR 182 Ca 0.10 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 1t60 s TYR 182 Cb -0.02 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1t60 s TYR 182 CO -0.01 -0.49 0.10 0.71 -1.11 0.00 0.00 175.55 174.75 1t60 s TYR 183 N 1.54 3.25 0.34 2.71 1.51 -1.26 -5.03 117.35 120.42 1t60 s TYR 183 Ca 0.05 0.12 0.35 0.00 -1.01 0.00 0.00 57.07 56.58 1t60 s TYR 183 Cb -0.16 -1.66 1.89 0.00 -0.11 0.00 0.00 41.96 41.92 1t60 s TYR 183 CO 0.02 0.54 2.06 0.00 -1.11 0.00 0.00 175.55 177.06 1t60 h ALA 184 N 3.41 1.03 -0.29 3.71 0.00 -2.02 -2.50 119.26 122.60 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t60 h ALA 184 CO 0.67 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 180.16 1t60 n ASN 185 N -2.74 1.77 -4.69 0.00 6.94 -1.26 -4.87 115.26 110.41 1t60 n ASN 185 Ca -0.02 -1.90 -0.42 0.00 -0.02 0.00 0.00 54.58 52.21 1t60 n ASN 185 Cb 0.09 -0.19 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 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 -1.62 4.36 0.00 -3.83 1.02 -0.95 -4.31 119.74 114.41 1t60 s LYS 186 Ca 0.26 1.67 0.06 0.00 0.02 0.00 0.00 55.97 57.98 1t60 s LYS 186 Cb 0.14 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1t60 s LYS 186 CO 0.19 -0.44 -0.17 0.71 -0.92 0.00 0.00 175.35 174.72 1t60 s TYR 187 N 2.18 1.55 0.01 3.18 4.12 -0.09 -4.99 117.35 123.31 1t60 s TYR 187 Ca 0.56 -0.31 0.07 0.00 0.02 0.00 0.00 57.07 57.41 1t60 s TYR 187 Cb -0.25 -0.98 -0.03 0.00 -1.52 0.00 0.00 41.96 39.19 1t60 s TYR 187 CO 0.22 0.00 -0.21 -1.54 0.02 0.00 0.00 175.55 174.05 1t60 s SER 188 N -0.62 3.57 -0.05 2.29 1.04 -1.26 -2.03 113.70 116.63 1t60 s SER 188 Ca 0.06 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.13 1t60 s SER 188 Cb -0.07 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1t60 s SER 188 CO -0.00 0.29 -0.23 -0.36 0.98 0.00 0.00 173.24 173.92 1t60 s PHE 189 N -0.80 2.22 0.07 5.02 0.40 0.12 -4.97 117.98 120.04 1t60 s PHE 189 Ca 0.12 -0.64 0.04 0.00 -0.60 0.00 0.00 56.93 55.85 1t60 s PHE 189 Cb -0.10 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1t60 s PHE 189 CO 0.02 -0.19 -0.11 -1.58 0.70 0.00 0.00 175.22 174.06 1t60 s TRP 190 N -0.13 0.99 0.46 0.36 0.52 -1.26 -1.05 118.94 118.83 1t60 s TRP 190 Ca -0.03 -0.52 -0.23 0.00 0.02 0.00 0.00 56.10 55.34 1t60 s TRP 190 Cb -0.13 -0.56 -0.07 0.00 -1.15 0.00 0.00 33.47 31.55 1t60 s TRP 190 CO 0.03 -0.00 1.19 -0.51 0.02 0.00 0.00 176.95 177.68 1t60 s LEU 191 N -1.84 4.02 0.43 2.99 1.43 -0.78 -4.89 118.68 120.04 1t60 s LEU 191 Ca -0.03 2.38 -0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1t60 s LEU 191 Cb -0.08 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1t60 s LEU 191 CO 0.01 -0.97 0.65 0.42 0.23 0.00 0.00 176.35 176.69 1t60 s THR 192 N -1.49 4.44 0.02 5.49 -4.23 -1.26 -0.50 115.64 118.11 1t60 s THR 192 Ca 0.64 -0.39 -0.22 0.00 -1.18 0.00 0.00 61.69 60.54 1t60 s THR 192 Cb -0.30 -3.64 -0.06 0.00 1.34 0.00 0.00 72.50 69.84 1t60 s THR 192 CO 0.37 -0.47 0.64 0.42 -0.54 0.00 0.00 174.62 175.05 1t60 s THR 193 N -2.51 4.83 -0.19 3.99 -4.23 -0.61 -4.13 115.64 112.77 1t60 s THR 193 Ca 0.46 1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 62.32 1t60 s THR 193 Cb -0.10 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.77 1t60 s THR 193 CO 0.38 0.42 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.11 1t60 s ILE 194 N -0.27 2.56 0.17 2.99 1.01 0.52 -4.88 121.20 123.30 1t60 s ILE 194 Ca 0.33 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 1t60 s ILE 194 Cb -0.19 -2.12 0.06 0.00 0.01 0.00 0.00 42.46 40.22 1t60 s ILE 194 CO 0.19 0.50 1.75 -0.65 0.00 0.00 0.00 174.94 176.73 1t60 h PRO 195 N 7.96 0.31 -7.22 2.79 0.11 -1.97 -3.44 132.00 130.53 1t60 h PRO 195 Ca -0.44 -0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.13 1t60 h PRO 195 Cb 1.15 -0.07 0.19 0.00 0.11 0.00 0.00 31.00 32.39 1t60 h PRO 195 CO 0.62 0.20 0.23 0.39 -0.21 0.00 0.00 178.00 179.23 1t60 n GLU 196 N -5.01 -0.23 0.16 1.05 4.71 -1.26 -4.93 120.64 115.13 1t60 n GLU 196 Ca 0.03 0.01 0.02 0.00 -0.01 0.00 0.00 57.16 57.21 1t60 n GLU 196 Cb 0.17 -2.38 0.27 0.00 -1.01 0.00 0.00 31.44 28.48 1t60 n GLU 196 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 1t60 h GLN 197 N -1.53 0.00 0.00 3.49 -0.00 -2.01 -3.43 115.11 111.62 1t60 h GLN 197 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1t60 h GLN 197 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.76 1t60 h GLN 197 CO 0.42 0.49 0.00 -1.13 0.00 0.00 0.00 178.83 178.61 1t60 n SER 198 N -3.73 0.00 -3.78 -0.69 3.41 -1.26 -5.11 113.62 102.46 1t60 n SER 198 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1t60 n SER 198 Cb 0.54 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.23 -0.00 7.33 5.36 -1.26 -5.13 117.98 125.51 1t60 s PHE 199 Ca 0.00 -0.92 -0.17 0.00 -0.96 0.00 0.00 56.93 54.88 1t60 s PHE 199 Cb 0.00 -1.10 -0.06 0.00 -0.34 0.00 0.00 43.02 41.52 1t60 s PHE 199 CO 0.00 -0.60 0.46 -1.14 -1.46 0.00 0.00 175.22 172.48 1t60 s GLN 200 N 1.79 4.07 0.00 10.12 0.74 -1.26 -4.85 119.66 130.27 1t60 s GLN 200 Ca -0.01 0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1t60 s GLN 200 Cb -0.17 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1t60 s GLN 200 CO -0.07 0.58 0.00 0.41 -0.55 0.00 0.00 175.29 175.66 1t60 n GLY 201 N 2.05 0.22 3.67 2.59 0.00 -1.26 -4.91 105.19 107.56 1t60 n GLY 201 Ca -0.12 -1.61 -0.52 0.00 0.00 0.00 0.00 46.02 43.77 1t60 n GLY 201 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t60 n THR 202 N 0.00 0.27 -1.99 2.61 -1.04 -1.26 -4.88 114.28 107.99 1t60 n THR 202 Ca 0.00 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1t60 n THR 202 Cb 0.00 -1.35 -0.02 0.00 -1.82 0.00 0.00 70.33 67.15 1t60 n THR 202 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1t60 s PRO 203 N 2.62 4.25 -0.41 -2.82 0.02 -1.26 -4.97 135.00 132.43 1t60 s PRO 203 Ca 0.91 2.35 -0.16 0.00 0.02 0.00 0.00 61.00 64.12 1t60 s PRO 203 Cb -0.89 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 30.60 1t60 s PRO 203 CO 0.54 -0.37 0.39 0.45 -0.33 0.00 0.00 177.00 177.68 1t60 s SER 204 N -0.12 6.17 0.50 2.53 0.15 -1.26 -5.05 113.70 116.62 1t60 s SER 204 Ca 0.53 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 56.29 1t60 s SER 204 Cb -0.43 -2.20 -0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1t60 s SER 204 CO 0.53 -0.51 1.23 0.00 1.20 0.00 0.00 173.24 175.69 1t60 n ALA 205 N 5.45 1.13 -3.50 5.45 0.00 -1.26 -5.03 120.51 122.76 1t60 n ALA 205 Ca -0.09 0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 1t60 n ALA 205 Cb 0.48 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 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 -0.80 -0.51 -0.17 0.00 3.68 -1.26 -5.15 116.67 112.46 1t60 s ASP 206 Ca 0.67 0.29 0.01 0.00 2.13 0.00 0.00 52.55 55.66 1t60 s ASP 206 Cb -0.46 0.48 0.01 0.00 -1.45 0.00 0.00 42.92 41.50 1t60 s ASP 206 CO 0.53 -0.67 -0.19 -0.89 0.13 0.00 0.00 175.17 174.08 1t60 s THR 207 N -2.34 2.20 -0.14 1.71 2.01 -1.26 -5.12 115.64 112.70 1t60 s THR 207 Ca -0.02 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1t60 s THR 207 Cb -0.01 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1t60 s THR 207 CO -0.02 0.53 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.64 1t60 s LEU 208 N 1.11 3.23 0.42 4.42 1.43 -1.26 -5.11 118.68 122.92 1t60 s LEU 208 Ca 0.00 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1t60 s LEU 208 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1t60 s LEU 208 CO -0.08 0.20 0.68 -0.54 0.23 0.00 0.00 176.35 176.84 1t60 s LYS 209 N 0.15 3.52 0.28 1.70 1.02 -1.26 -4.78 119.74 120.36 1t60 s LYS 209 Ca -0.02 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.02 1t60 s LYS 209 Cb -0.14 -2.51 0.83 0.00 -0.52 0.00 0.00 37.83 35.49 1t60 s LYS 209 CO 0.03 -0.04 1.29 0.00 -0.92 0.00 0.00 175.35 175.71 1t60 n ALA 210 N -2.00 0.60 0.02 5.17 0.00 -1.26 -0.66 120.51 122.38 1t60 n ALA 210 Ca -0.02 0.86 -0.01 0.00 0.00 0.00 0.00 53.44 54.28 1t60 n ALA 210 Cb 0.55 -0.72 0.28 0.00 0.00 0.00 0.00 19.45 19.56 1t60 n ALA 210 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t60 h GLY 211 N 0.00 0.50 0.00 0.00 0.00 -2.05 -3.35 103.07 98.17 1t60 h GLY 211 Ca 0.58 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1t60 h GLY 211 CO -0.71 0.31 -0.17 1.41 0.00 0.00 0.00 176.54 177.38 1t60 h LEU 212 N 0.44 0.00 0.00 3.11 -0.00 -1.27 -3.43 115.31 114.16 1t60 h LEU 212 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1t60 h LEU 212 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1t60 h LEU 212 CO 0.02 0.53 0.00 -0.38 -0.00 0.00 0.00 178.44 178.62 1t60 n ILE 213 N -4.45 0.00 -0.39 1.22 5.41 -1.05 -1.07 119.36 119.04 1t60 n ILE 213 Ca -0.02 0.00 0.37 0.00 1.00 0.00 0.00 62.75 64.10 1t60 n ILE 213 Cb 0.09 0.00 0.74 0.00 -0.71 0.00 0.00 39.64 39.76 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 0.03 0.00 0.38 3.08 -1.84 0.62 114.38 116.66 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 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1t60 h ARG 214 CO 0.00 0.02 0.00 0.25 -1.07 0.00 0.00 179.97 179.17 1t60 n THR 215 N -4.19 0.00 0.52 2.04 -2.24 -0.23 -3.14 114.28 107.05 1t60 n THR 215 Ca 0.29 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.13 1t60 n THR 215 Cb 1.35 -0.50 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.29 0.02 -3.88 4.78 8.25 0.22 -4.78 115.22 118.54 1t60 n HIS 216 Ca 0.14 -0.02 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 1t60 n HIS 216 Cb 0.24 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.08 5.28 0.46 1.59 1.09 -1.14 -1.58 121.20 125.83 1t60 s ILE 217 Ca 0.15 0.13 -0.25 0.00 -1.10 0.00 0.00 60.65 59.59 1t60 s ILE 217 Cb 0.11 -3.35 -0.08 0.00 -1.06 0.00 0.00 42.46 38.08 1t60 s ILE 217 CO 0.16 0.53 1.36 -0.24 -0.10 0.00 0.00 174.94 176.65 1t60 n SER 218 N 2.79 2.92 -4.94 3.58 2.88 0.34 -4.60 113.62 116.58 1t60 n SER 218 Ca -0.18 1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 58.19 1t60 n SER 218 Cb 0.53 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 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 -2.44 3.45 0.24 -1.46 1.81 -1.14 -1.40 118.95 118.01 1t60 s ARG 219 Ca 0.63 -0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 54.06 1t60 s ARG 219 Cb -0.46 -2.95 -0.03 0.00 -0.45 0.00 0.00 34.95 31.06 1t60 s ARG 219 CO 0.56 0.50 0.21 0.00 -0.68 0.00 0.00 175.30 175.90 1t60 s GLN 221 N -3.96 0.35 -0.21 0.00 0.74 -0.84 -1.61 119.66 114.13 1t60 s GLN 221 Ca 0.37 0.39 -0.09 0.00 0.05 0.00 0.00 55.36 56.08 1t60 s GLN 221 Cb 0.05 0.17 -0.05 0.00 1.10 0.00 0.00 33.01 34.29 1t60 s GLN 221 CO 0.15 -0.04 0.11 0.08 -0.55 0.00 0.00 175.29 175.04 1t60 s VAL 222 N 0.11 5.09 0.13 1.34 1.01 -0.08 -1.56 120.40 126.45 1t60 s VAL 222 Ca -0.00 0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.14 1t60 s VAL 222 Cb -0.02 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1t60 s VAL 222 CO 0.00 0.40 -0.20 0.00 0.00 0.00 0.00 175.10 175.30 1t60 s MET 224 N -2.22 1.44 0.09 0.00 1.75 0.74 -0.99 119.30 120.11 1t60 s MET 224 Ca 0.10 -0.59 -0.33 0.00 -1.25 0.00 0.00 55.69 53.62 1t60 s MET 224 Cb -0.09 -1.36 -0.13 0.00 2.84 0.00 0.00 34.83 36.10 1t60 s MET 224 CO 0.05 0.32 1.71 1.17 -0.65 0.00 0.00 175.02 177.62 1t60 n LYS 225 N 2.80 2.31 -0.12 4.11 3.00 -1.23 0.34 118.16 129.38 1t60 n LYS 225 Ca -0.16 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 1t60 n LYS 225 Cb 0.54 -2.65 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1t60 n LYS 225 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49