#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa6 s GLN 10 N 0.00 4.20 0.34 2.61 2.00 -1.26 -4.90 119.66 122.64 1pa6 s GLN 10 Ca 0.00 2.03 0.21 0.00 -2.00 0.00 0.00 55.36 55.60 1pa6 s GLN 10 Cb 0.00 -3.91 0.19 0.00 0.80 0.00 0.00 33.01 30.08 1pa6 s GLN 10 CO 0.00 -0.80 1.42 1.96 -0.50 0.00 0.00 175.29 177.37 1pa6 h GLN 11 N 9.10 0.00 -5.73 1.67 4.20 -2.03 -3.44 115.11 118.89 1pa6 h GLN 11 Ca -0.36 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.75 1pa6 h GLN 11 Cb 1.16 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.83 1pa6 h GLN 11 CO 0.96 0.13 0.36 0.45 -0.67 0.00 0.00 178.83 180.06 1pa6 s SER 12 N -6.08 6.64 0.11 1.46 0.15 -1.26 -4.94 113.70 109.78 1pa6 s SER 12 Ca 0.04 0.64 -0.17 0.00 0.70 0.00 0.00 55.95 57.17 1pa6 s SER 12 Cb 0.07 -2.40 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1pa6 s SER 12 CO 0.72 -0.59 1.61 0.00 1.20 0.00 0.00 173.24 176.18 1pa6 h ALA 13 N 8.11 0.43 -0.20 5.45 0.00 -1.85 -2.30 119.26 128.90 1pa6 h ALA 13 Ca -0.25 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pa6 h ALA 13 Cb 1.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pa6 h ALA 13 CO 0.87 0.10 0.12 0.74 0.00 0.00 0.00 179.25 181.08 1pa6 h PHE 14 N 0.37 0.27 -0.69 0.00 0.05 -1.93 -0.35 116.94 114.66 1pa6 h PHE 14 Ca 0.10 -0.00 0.07 0.00 3.82 0.00 0.00 57.97 61.96 1pa6 h PHE 14 Cb 0.30 -0.09 -0.06 0.00 2.00 0.00 0.00 35.95 38.10 1pa6 h PHE 14 CO 0.02 0.22 0.38 -0.22 -0.18 0.00 0.00 178.31 178.52 1pa6 h LYS 15 N 0.24 0.66 0.07 1.51 3.64 -1.96 -0.92 116.57 119.82 1pa6 h LYS 15 Ca 0.07 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1pa6 h LYS 15 Cb 0.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1pa6 h LYS 15 CO -0.01 0.44 -0.03 0.37 -2.27 0.00 0.00 179.45 177.94 1pa6 h GLN 16 N 0.68 -0.09 -0.13 1.90 4.15 -1.11 -1.29 115.11 119.21 1pa6 h GLN 16 Ca 0.32 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.78 1pa6 h GLN 16 Cb 0.24 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1pa6 h GLN 16 CO -0.21 0.17 -0.05 -0.07 -1.93 0.00 0.00 178.83 176.75 1pa6 h LEU 17 N -0.36 -0.16 -1.19 -2.39 3.38 -0.70 -1.43 115.31 112.46 1pa6 h LEU 17 Ca -0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1pa6 h LEU 17 Cb 0.31 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1pa6 h LEU 17 CO 0.02 -0.06 -0.36 1.88 0.09 0.00 0.00 178.44 180.00 1pa6 h TYR 18 N -0.02 0.00 -0.24 1.13 -1.99 -1.22 -2.04 116.97 112.59 1pa6 h TYR 18 Ca 0.07 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.66 1pa6 h TYR 18 Cb 0.13 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1pa6 h TYR 18 CO -0.18 0.36 -0.41 1.15 -0.00 0.00 0.00 178.16 179.08 1pa6 h THR 19 N 0.00 1.31 -0.12 -2.88 2.02 -0.77 -2.37 112.91 110.10 1pa6 h THR 19 Ca -0.00 -1.61 -0.11 0.00 0.77 0.00 0.00 66.41 65.45 1pa6 h THR 19 Cb 0.74 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1pa6 h THR 19 CO 0.05 0.51 -0.40 -0.33 0.37 0.00 0.00 175.52 175.72 1pa6 h GLU 20 N 0.43 0.26 -0.16 6.66 5.08 -1.07 0.23 114.58 126.00 1pa6 h GLU 20 Ca 0.02 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1pa6 h GLU 20 Cb 1.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1pa6 h GLU 20 CO 0.09 0.62 0.10 1.25 -1.00 0.00 0.00 179.01 180.08 1pa6 h LEU 21 N 0.22 0.19 -0.32 1.33 5.85 -1.23 -0.87 115.31 120.48 1pa6 h LEU 21 Ca 0.02 -0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1pa6 h LEU 21 Cb 0.81 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1pa6 h LEU 21 CO 0.06 0.17 -0.25 -0.26 -0.34 0.00 0.00 178.44 177.82 1pa6 h PHE 22 N 0.20 0.86 0.00 1.25 -1.00 -1.17 0.33 116.94 117.41 1pa6 h PHE 22 Ca 0.06 -0.24 0.00 0.00 2.81 0.00 0.00 57.97 60.59 1pa6 h PHE 22 Cb 0.01 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.38 1pa6 h PHE 22 CO -0.06 0.99 0.00 0.09 -1.61 0.00 0.00 178.31 177.72 1pa6 n ASN 23 N -4.27 0.00 -2.41 2.17 3.02 0.05 -2.61 115.26 111.21 1pa6 n ASN 23 Ca -0.03 -0.39 -0.21 0.00 -0.03 0.00 0.00 54.58 53.92 1pa6 n ASN 23 Cb 0.45 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1pa6 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pa6 n ASN 24 N -1.04 3.97 -4.20 6.41 3.02 -0.35 -4.97 115.26 118.10 1pa6 n ASN 24 Ca 0.11 -3.41 -0.34 0.00 -0.03 0.00 0.00 54.58 50.91 1pa6 n ASN 24 Cb 0.06 -0.44 -0.08 0.00 -0.61 0.00 0.00 39.78 38.71 1pa6 n ASN 24 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1pa6 n GLU 25 N -0.49 -0.84 -1.27 3.52 0.28 -1.07 0.06 120.64 120.83 1pa6 n GLU 25 Ca 0.33 0.10 -0.09 0.00 -0.16 0.00 0.00 57.16 57.34 1pa6 n GLU 25 Cb 0.79 -3.76 -0.04 0.00 1.43 0.00 0.00 31.44 29.85 1pa6 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pa6 n GLY 26 N -1.68 0.91 3.49 -1.84 0.00 0.07 -4.53 105.19 101.62 1pa6 n GLY 26 Ca -0.08 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1pa6 n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pa6 s ASP 27 N -2.37 6.29 0.59 1.61 -1.08 0.11 -4.56 116.67 117.27 1pa6 s ASP 27 Ca 0.00 -0.57 0.38 0.00 -0.52 0.00 0.00 52.55 51.83 1pa6 s ASP 27 Cb 0.00 -2.38 1.75 0.00 -1.46 0.00 0.00 42.92 40.83 1pa6 s ASP 27 CO 0.00 -1.11 2.12 0.15 0.52 0.00 0.00 175.17 176.85 1pa6 h PHE 28 N 9.20 0.00 0.00 -5.34 3.57 -1.86 -2.34 116.94 120.18 1pa6 h PHE 28 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1pa6 h PHE 28 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1pa6 h PHE 28 CO 0.86 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 177.60 1pa6 h SER 29 N 0.00 0.00 0.64 0.41 4.64 -1.95 -3.17 113.55 114.12 1pa6 h SER 29 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pa6 h SER 29 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1pa6 h SER 29 CO 0.00 0.00 -0.58 0.29 -0.87 0.00 0.00 176.83 175.67 1pa6 n LYS 30 N -2.74 0.13 -2.44 4.77 5.02 -0.88 -4.90 118.16 117.13 1pa6 n LYS 30 Ca 0.05 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1pa6 n LYS 30 Cb 0.49 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1pa6 n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pa6 s VAL 31 N -3.08 3.44 0.05 -0.18 0.11 -1.20 -4.91 120.40 114.63 1pa6 s VAL 31 Ca 0.09 1.31 -0.35 0.00 -2.93 0.00 0.00 61.98 60.10 1pa6 s VAL 31 Cb 0.16 -3.78 -0.18 0.00 -1.53 0.00 0.00 36.38 31.05 1pa6 s VAL 31 CO 0.71 0.21 0.88 -1.20 -3.33 0.00 0.00 175.10 172.37 1pa6 n SER 32 N 0.63 -0.31 0.04 3.54 7.64 -1.26 -4.86 113.62 119.03 1pa6 n SER 32 Ca 0.02 1.09 -0.09 0.00 1.01 0.00 0.00 58.87 60.90 1pa6 n SER 32 Cb 0.46 -0.88 0.06 0.00 -1.01 0.00 0.00 64.21 62.84 1pa6 n SER 32 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pa6 h SER 33 N 2.35 0.50 0.00 6.43 4.64 -1.93 -3.00 113.55 122.54 1pa6 h SER 33 Ca -0.43 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.60 1pa6 h SER 33 Cb 1.35 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1pa6 h SER 33 CO 0.59 1.01 0.00 -0.46 -0.87 0.00 0.00 176.83 177.10 1pa6 n ASN 34 N -3.90 0.00 -0.05 4.97 6.94 -1.26 -1.42 115.26 120.54 1pa6 n ASN 34 Ca -0.04 -0.48 0.02 0.00 -0.02 0.00 0.00 54.58 54.06 1pa6 n ASN 34 Cb 0.65 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.06 1pa6 n ASN 34 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pa6 n LEU 35 N -0.60 0.53 -1.86 -4.53 4.77 -1.13 -4.67 117.00 109.50 1pa6 n LEU 35 Ca 0.01 -0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 55.19 1pa6 n LEU 35 Cb 0.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1pa6 n LEU 35 CO 0.01 0.12 1.17 0.29 -1.33 0.00 0.00 177.39 177.65 1pa6 n LYS 36 N -0.71 1.80 -3.46 3.23 5.02 -0.51 -4.92 118.16 118.61 1pa6 n LYS 36 Ca 0.01 -1.60 -0.23 0.00 -2.02 0.00 0.00 58.31 54.47 1pa6 n LYS 36 Cb 0.08 -1.63 -0.01 0.00 -0.02 0.00 0.00 35.03 33.45 1pa6 n LYS 36 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1pa6 s LYS 37 N -1.85 3.37 0.32 1.97 -2.85 -1.26 -5.02 119.74 114.42 1pa6 s LYS 37 Ca 0.31 -0.53 -0.26 0.00 -1.00 0.00 0.00 55.97 54.50 1pa6 s LYS 37 Cb 0.25 -2.71 -0.14 0.00 -2.06 0.00 0.00 37.83 33.16 1pa6 s LYS 37 CO 0.01 0.14 0.69 -2.30 0.10 0.00 0.00 175.35 173.99 1pa6 n PRO 38 N -1.73 0.69 -3.83 1.78 -0.02 -1.26 -4.96 135.00 125.67 1pa6 n PRO 38 Ca -0.04 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.32 1pa6 n PRO 38 Cb 0.57 -1.48 -0.13 0.00 -0.02 0.00 0.00 33.50 32.43 1pa6 n PRO 38 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1pa6 s LEU 39 N 1.67 4.10 -0.37 2.45 1.43 -0.34 -4.96 118.68 122.65 1pa6 s LEU 39 Ca 0.62 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.34 1pa6 s LEU 39 Cb -0.72 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1pa6 s LEU 39 CO 0.58 -0.29 0.56 -0.75 0.23 0.00 0.00 176.35 176.69 1pa6 s LYS 40 N 1.33 3.53 0.03 1.70 2.20 -1.26 -1.49 119.74 125.79 1pa6 s LYS 40 Ca -0.03 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1pa6 s LYS 40 Cb -0.20 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1pa6 s LYS 40 CO 0.01 -0.75 -0.09 0.00 -0.36 0.00 0.00 175.35 174.16 1pa6 s TYR 42 N -0.95 3.82 -0.51 0.00 5.04 -0.91 -2.13 117.35 121.71 1pa6 s TYR 42 Ca -0.04 1.80 -0.24 0.00 -2.44 0.00 0.00 57.07 56.15 1pa6 s TYR 42 Cb -0.08 -3.05 0.03 0.00 0.35 0.00 0.00 41.96 39.22 1pa6 s TYR 42 CO 0.01 0.22 0.92 0.08 -1.34 0.00 0.00 175.55 175.43 1pa6 s VAL 43 N -0.06 4.45 0.04 3.14 1.01 0.79 -0.21 120.40 129.55 1pa6 s VAL 43 Ca 0.47 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.72 1pa6 s VAL 43 Cb -0.23 -4.48 -0.23 0.00 0.00 0.00 0.00 36.38 31.43 1pa6 s VAL 43 CO 0.30 -0.98 1.14 0.50 0.00 0.00 0.00 175.10 176.07 1pa6 h LYS 44 N 9.20 0.56 -3.70 2.72 3.64 -0.62 0.13 116.57 128.50 1pa6 h LYS 44 Ca -0.25 -0.61 -0.09 0.00 -1.27 0.00 0.00 60.65 58.43 1pa6 h LYS 44 Cb 1.08 0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.92 1pa6 h LYS 44 CO 1.05 1.22 -0.35 -1.21 -2.27 0.00 0.00 179.45 177.89 1pa6 s GLU 45 N -3.26 0.82 0.00 1.90 2.02 -0.84 -4.49 118.70 114.85 1pa6 s GLU 45 Ca -0.11 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1pa6 s GLU 45 Cb 0.05 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1pa6 s GLU 45 CO 0.87 -0.26 0.00 -1.13 0.02 0.00 0.00 175.26 174.77 1pa6 n SER 46 N 0.14 2.21 -3.63 -0.19 3.41 -1.12 -0.75 113.62 113.69 1pa6 n SER 46 Ca -0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.34 1pa6 n SER 46 Cb 0.61 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.91 1pa6 n SER 46 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1pa6 s TYR 47 N -0.95 -0.80 -0.79 7.33 5.04 -1.26 -4.00 117.35 121.92 1pa6 s TYR 47 Ca 0.00 1.84 0.19 0.00 -2.44 0.00 0.00 57.07 56.66 1pa6 s TYR 47 Cb 0.00 0.37 0.80 0.00 0.35 0.00 0.00 41.96 43.47 1pa6 s TYR 47 CO 0.00 -0.39 1.59 -2.30 -1.34 0.00 0.00 175.55 173.12 1pa6 n PRO 48 N 3.03 0.08 -5.13 4.97 -0.02 -1.26 -4.98 135.00 131.69 1pa6 n PRO 48 Ca -0.15 0.30 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 1pa6 n PRO 48 Cb 0.56 -1.65 -0.16 0.00 -0.02 0.00 0.00 33.50 32.23 1pa6 n PRO 48 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1pa6 s HIS 49 N -3.12 2.24 -0.47 6.00 3.76 -1.26 -4.89 115.29 117.54 1pa6 s HIS 49 Ca 0.06 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.10 1pa6 s HIS 49 Cb 0.10 -1.48 0.06 0.00 1.11 0.00 0.00 32.58 32.36 1pa6 s HIS 49 CO 0.34 -0.23 0.49 0.12 -0.85 0.00 0.00 174.74 174.61 1pa6 s PHE 50 N -0.03 3.16 -0.08 1.40 5.36 -1.26 -2.79 117.98 123.75 1pa6 s PHE 50 Ca -0.06 -0.67 0.05 0.00 -0.96 0.00 0.00 56.93 55.29 1pa6 s PHE 50 Cb -0.14 -3.25 -0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1pa6 s PHE 50 CO 0.04 -0.87 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.19 1pa6 s LEU 51 N 2.11 2.05 0.14 6.12 1.43 0.07 -3.98 118.68 126.62 1pa6 s LEU 51 Ca 0.10 -0.52 0.11 0.00 -1.03 0.00 0.00 54.13 52.79 1pa6 s LEU 51 Cb -0.21 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1pa6 s LEU 51 CO 0.10 0.19 -0.26 0.68 0.23 0.00 0.00 176.35 177.29 1pa6 s VAL 52 N 0.12 2.27 0.35 -1.59 -7.23 -0.81 0.13 120.40 113.64 1pa6 s VAL 52 Ca -0.11 -1.81 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1pa6 s VAL 52 Cb -0.16 -2.02 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1pa6 s VAL 52 CO 0.06 0.05 -0.08 0.42 -0.31 0.00 0.00 175.10 175.24 1pa6 s THR 53 N -1.17 2.23 -0.11 5.32 -4.23 0.70 -0.72 115.64 117.66 1pa6 s THR 53 Ca 0.15 -2.18 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 1pa6 s THR 53 Cb -0.10 -2.69 0.25 0.00 1.34 0.00 0.00 72.50 71.31 1pa6 s THR 53 CO 0.07 -0.18 1.13 -0.90 -0.54 0.00 0.00 174.62 174.20 1pa6 n ASP 54 N -0.82 2.32 0.00 3.99 5.75 -0.95 -2.14 116.55 124.70 1pa6 n ASP 54 Ca -0.05 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.79 1pa6 n ASP 54 Cb 0.64 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1pa6 n ASP 54 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pa6 n GLY 55 N -1.30 1.86 0.48 6.12 0.00 -1.26 -4.73 105.19 106.37 1pa6 n GLY 55 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pa6 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pa6 n TYR 56 N -2.00 0.00 -4.36 1.61 4.02 -1.26 -4.05 117.16 111.11 1pa6 n TYR 56 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 1pa6 n TYR 56 Cb 0.00 0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.29 1pa6 n TYR 56 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1pa6 s PHE 57 N -1.69 1.67 0.12 -0.72 0.40 -1.26 -2.51 117.98 113.99 1pa6 s PHE 57 Ca 0.00 -0.97 0.10 0.00 -0.60 0.00 0.00 56.93 55.46 1pa6 s PHE 57 Cb 0.00 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1pa6 s PHE 57 CO 0.00 -0.07 -0.24 -0.59 0.70 0.00 0.00 175.22 175.02 1pa6 s PHE 58 N -3.43 2.38 0.05 0.36 -0.12 -0.73 -2.25 117.98 114.24 1pa6 s PHE 58 Ca 0.32 -0.35 -0.02 0.00 -0.05 0.00 0.00 56.93 56.84 1pa6 s PHE 58 Cb 0.07 -1.29 -0.03 0.00 -0.63 0.00 0.00 43.02 41.13 1pa6 s PHE 58 CO 0.11 0.34 -0.01 0.14 -0.05 0.00 0.00 175.22 175.75 1pa6 s VAL 59 N -1.06 0.19 -0.30 -2.49 -7.23 0.11 -3.36 120.40 106.26 1pa6 s VAL 59 Ca 0.15 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 1pa6 s VAL 59 Cb -0.10 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 1pa6 s VAL 59 CO 0.07 -0.88 0.21 0.00 -0.31 0.00 0.00 175.10 174.18 1pa6 s ALA 60 N -3.48 3.52 0.18 1.32 0.00 -1.26 -1.92 121.76 120.12 1pa6 s ALA 60 Ca 0.03 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 1pa6 s ALA 60 Cb 0.05 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 1pa6 s ALA 60 CO -0.08 -0.67 0.72 -1.25 0.00 0.00 0.00 175.76 174.48 1pa6 s PRO 61 N 1.75 4.37 -0.33 0.00 0.04 -1.26 -4.21 135.00 135.37 1pa6 s PRO 61 Ca 0.07 0.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.02 1pa6 s PRO 61 Cb -0.16 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1pa6 s PRO 61 CO 0.11 0.50 0.09 0.71 0.04 0.00 0.00 177.00 178.45 1pa6 s TYR 62 N -1.31 3.25 -0.00 0.56 1.51 0.11 -4.97 117.35 116.49 1pa6 s TYR 62 Ca 0.38 -1.45 -0.23 0.00 -1.01 0.00 0.00 57.07 54.76 1pa6 s TYR 62 Cb -0.20 -2.25 -0.05 0.00 -0.11 0.00 0.00 41.96 39.35 1pa6 s TYR 62 CO 0.23 -0.73 0.70 -0.06 -1.11 0.00 0.00 175.55 174.58 1pa6 s PHE 63 N 1.39 3.67 0.65 2.71 0.40 -1.26 -0.36 117.98 125.19 1pa6 s PHE 63 Ca -0.02 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 57.54 1pa6 s PHE 63 Cb -0.19 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 1pa6 s PHE 63 CO 0.02 0.24 1.04 0.95 0.70 0.00 0.00 175.22 178.18 1pa6 s THR 64 N 0.16 4.42 0.48 0.64 -4.23 -1.04 -1.29 115.64 114.78 1pa6 s THR 64 Ca 0.36 0.79 0.17 0.00 -1.18 0.00 0.00 61.69 61.83 1pa6 s THR 64 Cb -0.19 -3.70 0.24 0.00 1.34 0.00 0.00 72.50 70.19 1pa6 s THR 64 CO 0.20 -1.03 2.07 0.50 -0.54 0.00 0.00 174.62 175.83 1pa6 h LYS 65 N -0.47 0.00 0.03 3.99 3.64 -1.93 -2.45 116.57 119.38 1pa6 h LYS 65 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1pa6 h LYS 65 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1pa6 h LYS 65 CO 0.60 0.10 -0.02 0.93 -2.27 0.00 0.00 179.45 178.80 1pa6 h GLU 66 N 0.00 -0.04 -0.92 1.90 4.39 -1.93 -2.94 114.58 115.04 1pa6 h GLU 66 Ca -0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 1pa6 h GLU 66 Cb 0.19 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.77 1pa6 h GLU 66 CO 0.01 0.38 0.59 0.00 -1.16 0.00 0.00 179.01 178.82 1pa6 h ALA 67 N 0.46 1.79 -0.05 3.43 0.00 -1.54 -1.06 119.26 122.30 1pa6 h ALA 67 Ca -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1pa6 h ALA 67 Cb 0.44 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1pa6 h ALA 67 CO 0.01 -0.04 -0.93 -0.39 0.00 0.00 0.00 179.25 177.89 1pa6 h VAL 68 N 0.73 1.30 -0.58 0.00 -1.51 -1.54 -2.17 116.25 112.48 1pa6 h VAL 68 Ca 0.47 -2.19 -0.09 0.00 -1.23 0.00 0.00 66.70 63.65 1pa6 h VAL 68 Cb 0.72 2.25 -0.02 0.00 -2.13 0.00 0.00 31.29 32.10 1pa6 h VAL 68 CO -0.22 0.68 0.01 0.78 -1.23 0.00 0.00 177.57 177.58 1pa6 h ASN 69 N 0.40 0.98 -0.63 4.19 2.35 -1.24 -0.04 115.58 121.59 1pa6 h ASN 69 Ca -0.09 -0.26 -0.08 0.00 -0.55 0.00 0.00 56.30 55.31 1pa6 h ASN 69 Cb 1.57 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 1pa6 h ASN 69 CO 0.18 1.03 0.09 -0.08 -1.65 0.00 0.00 177.43 177.00 1pa6 h GLU 70 N 0.92 1.07 0.30 0.81 4.81 -1.22 -2.10 114.58 119.17 1pa6 h GLU 70 Ca 0.17 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1pa6 h GLU 70 Cb 0.52 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1pa6 h GLU 70 CO 0.03 0.99 -0.14 0.35 -0.73 0.00 0.00 179.01 179.50 1pa6 h PHE 71 N 1.00 -0.37 0.00 0.92 3.57 -0.93 -1.76 116.94 119.37 1pa6 h PHE 71 Ca 0.20 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1pa6 h PHE 71 Cb 0.45 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1pa6 h PHE 71 CO 0.03 -0.15 0.00 0.45 -2.23 0.00 0.00 178.31 176.41 1pa6 h HIS 72 N -0.52 0.00 0.00 0.41 3.86 -0.92 0.28 115.15 118.26 1pa6 h HIS 72 Ca -0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 1pa6 h HIS 72 Cb 0.39 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 1pa6 h HIS 72 CO -0.02 0.00 -0.39 0.00 0.86 0.00 0.00 177.93 178.38 1pa6 h ALA 73 N 2.01 0.07 0.00 2.45 0.00 -0.95 -3.28 119.26 119.57 1pa6 h ALA 73 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pa6 h ALA 73 Cb 0.05 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pa6 h ALA 73 CO 0.00 0.23 0.00 0.87 0.00 0.00 0.00 179.25 180.35 1pa6 h LYS 74 N -1.00 0.00 -2.26 0.00 1.57 -0.98 -3.38 116.57 110.52 1pa6 h LYS 74 Ca -0.10 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.10 1pa6 h LYS 74 Cb 0.92 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.84 1pa6 h LYS 74 CO -0.06 0.00 -0.97 1.19 -0.57 0.00 0.00 179.45 179.04 1pa6 n PHE 75 N -2.92 -0.06 0.15 -1.35 3.01 0.96 -4.95 117.46 112.30 1pa6 n PHE 75 Ca 0.04 -3.54 0.03 0.00 1.01 0.00 0.00 57.45 54.98 1pa6 n PHE 75 Cb 0.46 -0.11 0.40 0.00 -0.01 0.00 0.00 39.48 40.22 1pa6 n PHE 75 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1pa6 h PRO 76 N 4.84 0.14 -0.92 -1.08 0.11 -1.75 -2.74 132.00 130.61 1pa6 h PRO 76 Ca 0.17 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 1pa6 h PRO 76 Cb 0.87 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 1pa6 h PRO 76 CO 0.47 0.35 0.14 0.09 -0.21 0.00 0.00 178.00 178.84 1pa6 n ASN 77 N -4.23 3.13 -3.66 -2.05 3.02 -1.26 -4.79 115.26 105.42 1pa6 n ASN 77 Ca -0.01 -2.52 -0.21 0.00 -0.03 0.00 0.00 54.58 51.80 1pa6 n ASN 77 Cb 0.30 -0.61 -0.18 0.00 -0.61 0.00 0.00 39.78 38.69 1pa6 n ASN 77 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pa6 s VAL 78 N -1.52 -0.11 -0.17 2.41 1.01 -1.03 -5.12 120.40 115.86 1pa6 s VAL 78 Ca 0.23 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1pa6 s VAL 78 Cb 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1pa6 s VAL 78 CO 0.05 0.08 0.43 0.20 0.00 0.00 0.00 175.10 175.86 1pa6 s ASN 79 N 2.17 6.53 0.18 3.32 0.02 -1.26 -4.89 114.94 121.00 1pa6 s ASN 79 Ca 0.04 0.63 -0.13 0.00 -1.02 0.00 0.00 52.86 52.38 1pa6 s ASN 79 Cb -0.13 -2.25 0.08 0.00 0.02 0.00 0.00 41.25 38.97 1pa6 s ASN 79 CO -0.04 -0.05 1.81 0.40 0.02 0.00 0.00 177.10 179.24 1pa6 h ILE 80 N 4.92 1.17 0.00 0.60 2.04 -1.97 -2.32 117.51 121.96 1pa6 h ILE 80 Ca -0.38 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1pa6 h ILE 80 Cb 1.17 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1pa6 h ILE 80 CO 0.74 0.18 0.00 0.52 0.00 0.00 0.00 178.15 179.59 1pa6 n VAL 81 N -4.63 0.00 -1.22 1.67 0.31 -1.26 -1.58 118.33 111.62 1pa6 n VAL 81 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.42 1pa6 n VAL 81 Cb 0.06 -0.56 0.07 0.00 -0.91 0.00 0.00 33.84 32.50 1pa6 n VAL 81 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pa6 n ASP 82 N -0.71 1.42 -0.24 4.52 8.00 -0.87 -4.58 116.55 124.08 1pa6 n ASP 82 Ca 0.03 -2.47 0.07 0.00 0.71 0.00 0.00 54.79 53.13 1pa6 n ASP 82 Cb 0.01 -0.28 0.32 0.00 -0.02 0.00 0.00 41.12 41.16 1pa6 n ASP 82 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pa6 n LEU 83 N -0.78 0.72 -4.64 0.64 4.77 -0.61 -4.93 117.00 112.17 1pa6 n LEU 83 Ca 0.08 -0.33 -0.45 0.00 -0.03 0.00 0.00 56.01 55.28 1pa6 n LEU 83 Cb 0.60 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1pa6 n LEU 83 CO 0.00 0.16 0.88 0.41 -1.33 0.00 0.00 177.39 177.52 1pa6 n THR 84 N -0.23 1.20 -0.95 -5.08 -1.04 -1.26 -0.60 114.28 106.31 1pa6 n THR 84 Ca 0.11 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1pa6 n THR 84 Cb 0.16 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1pa6 n THR 84 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pa6 n ASP 85 N 1.83 -3.69 -4.85 8.00 -0.08 0.46 -4.98 116.55 113.23 1pa6 n ASP 85 Ca 0.11 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.18 1pa6 n ASP 85 Cb 0.31 -1.90 -0.04 0.00 2.34 0.00 0.00 41.12 41.83 1pa6 n ASP 85 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1pa6 s LYS 86 N -0.93 2.59 0.06 -0.67 -0.14 0.23 -4.86 119.74 116.01 1pa6 s LYS 86 Ca 0.00 -1.44 0.05 0.00 -1.36 0.00 0.00 55.97 53.21 1pa6 s LYS 86 Cb 0.00 -2.39 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1pa6 s LYS 86 CO 0.00 -0.03 -0.05 0.54 -0.76 0.00 0.00 175.35 175.05 1pa6 s VAL 87 N -2.40 3.73 0.15 3.17 0.11 -1.26 -0.15 120.40 123.76 1pa6 s VAL 87 Ca 0.44 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.56 1pa6 s VAL 87 Cb -0.04 -2.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 1pa6 s VAL 87 CO 0.27 0.23 -0.05 0.27 -3.33 0.00 0.00 175.10 172.49 1pa6 s ILE 88 N -1.16 0.89 -0.18 7.04 -4.36 -0.90 -2.04 121.20 120.49 1pa6 s ILE 88 Ca 0.21 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1pa6 s ILE 88 Cb -0.11 -1.93 0.04 0.00 1.25 0.00 0.00 42.46 41.71 1pa6 s ILE 88 CO 0.13 -0.66 -0.05 -0.69 0.24 0.00 0.00 174.94 173.91 1pa6 s VAL 89 N -3.51 1.13 -0.50 8.37 1.01 0.18 -2.05 120.40 125.03 1pa6 s VAL 89 Ca 0.19 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 1pa6 s VAL 89 Cb 0.05 -1.34 0.05 0.00 0.00 0.00 0.00 36.38 35.14 1pa6 s VAL 89 CO 0.01 0.08 0.68 -0.63 0.00 0.00 0.00 175.10 175.24 1pa6 s ILE 90 N 1.62 4.78 -0.02 2.22 1.01 -0.55 0.40 121.20 130.65 1pa6 s ILE 90 Ca -0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1pa6 s ILE 90 Cb -0.16 -4.31 -0.33 0.00 0.01 0.00 0.00 42.46 37.67 1pa6 s ILE 90 CO -0.08 -0.80 0.80 0.78 0.00 0.00 0.00 174.94 175.64 1pa6 h ASN 91 N 9.02 0.70 -3.41 3.58 2.35 -1.26 -0.89 115.58 125.68 1pa6 h ASN 91 Ca -0.27 -0.91 -0.65 0.00 -0.55 0.00 0.00 56.30 53.92 1pa6 h ASN 91 Cb 1.09 -0.23 -0.36 0.00 0.05 0.00 0.00 38.32 38.87 1pa6 h ASN 91 CO 0.97 1.75 -0.83 0.21 -1.65 0.00 0.00 177.43 177.88 1pa6 s ASN 92 N -7.40 3.57 0.12 5.81 3.04 -1.12 -4.55 114.94 114.41 1pa6 s ASN 92 Ca -0.13 -0.93 -0.09 0.00 0.04 0.00 0.00 52.86 51.75 1pa6 s ASN 92 Cb 0.05 -1.41 -0.00 0.00 -1.54 0.00 0.00 41.25 38.34 1pa6 s ASN 92 CO 0.89 -0.10 0.23 -1.66 -3.04 0.00 0.00 177.10 173.42 1pa6 s TRP 93 N 1.28 0.25 0.09 0.43 1.48 -1.26 -0.82 118.94 120.38 1pa6 s TRP 93 Ca -0.01 -0.65 -0.06 0.00 -1.06 0.00 0.00 56.10 54.32 1pa6 s TRP 93 Cb -0.16 -0.05 -0.01 0.00 -1.16 0.00 0.00 33.47 32.08 1pa6 s TRP 93 CO -0.09 -0.62 0.14 -1.54 -4.06 0.00 0.00 176.95 170.78 1pa6 s SER 94 N -2.90 0.22 0.10 -2.66 1.04 -0.00 -4.98 113.70 104.51 1pa6 s SER 94 Ca 0.10 -0.78 0.10 0.00 0.48 0.00 0.00 55.95 55.85 1pa6 s SER 94 Cb 0.04 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1pa6 s SER 94 CO -0.07 -0.71 -0.25 -0.76 0.98 0.00 0.00 173.24 172.43 1pa6 s LEU 95 N -2.89 2.27 -0.05 2.42 1.43 -1.26 0.68 118.68 121.28 1pa6 s LEU 95 Ca 0.07 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1pa6 s LEU 95 Cb 0.06 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.20 1pa6 s LEU 95 CO -0.09 0.17 0.65 -1.83 0.23 0.00 0.00 176.35 175.47 1pa6 s GLU 96 N -1.79 1.01 0.28 1.70 -1.05 -1.07 -4.64 118.70 113.14 1pa6 s GLU 96 Ca 0.11 0.25 -0.14 0.00 -0.15 0.00 0.00 54.97 55.04 1pa6 s GLU 96 Cb -0.10 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.98 1pa6 s GLU 96 CO 0.04 -0.31 0.67 -0.51 0.95 0.00 0.00 175.26 176.11 1pa6 s LEU 97 N -1.14 4.13 -0.07 1.83 1.02 -1.26 -0.80 118.68 122.39 1pa6 s LEU 97 Ca -0.11 1.18 -0.09 0.00 0.02 0.00 0.00 54.13 55.14 1pa6 s LEU 97 Cb -0.01 -3.88 0.02 0.00 0.02 0.00 0.00 46.19 42.34 1pa6 s LEU 97 CO 0.09 -0.13 0.23 -0.13 0.02 0.00 0.00 176.35 176.43 1pa6 s ARG 98 N -2.78 0.33 -0.11 1.70 1.81 0.21 -2.20 118.95 117.91 1pa6 s ARG 98 Ca 0.50 0.18 -0.23 0.00 -1.72 0.00 0.00 55.73 54.46 1pa6 s ARG 98 Cb -0.11 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.51 1pa6 s ARG 98 CO 0.19 -0.06 0.71 1.03 -0.68 0.00 0.00 175.30 176.49 1pa6 s ARG 99 N -0.21 4.37 0.34 3.54 0.52 -1.26 -1.51 118.95 124.74 1pa6 s ARG 99 Ca -0.03 0.85 0.06 0.00 -0.52 0.00 0.00 55.73 56.09 1pa6 s ARG 99 Cb -0.03 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 1pa6 s ARG 99 CO 0.01 -0.06 0.25 0.14 0.02 0.00 0.00 175.30 175.66 1pa6 s VAL 100 N 1.25 0.09 -0.72 3.52 -7.23 -0.81 -4.98 120.40 111.52 1pa6 s VAL 100 Ca 0.36 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 1pa6 s VAL 100 Cb -0.17 -2.47 0.19 0.00 0.56 0.00 0.00 36.38 34.49 1pa6 s VAL 100 CO 0.15 0.00 0.65 0.21 -0.31 0.00 0.00 175.10 175.81 1pa6 s ASN 101 N -3.40 6.45 0.47 4.85 3.84 -1.26 -4.28 114.94 121.62 1pa6 s ASN 101 Ca 0.38 -2.44 0.21 0.00 0.21 0.00 0.00 52.86 51.22 1pa6 s ASN 101 Cb 0.03 -2.17 1.15 0.00 -0.55 0.00 0.00 41.25 39.70 1pa6 s ASN 101 CO 0.25 -0.63 1.60 0.28 -2.79 0.00 0.00 177.10 175.80 1pa6 h SER 102 N 8.03 0.00 1.10 -4.21 0.02 -1.89 0.42 113.55 117.01 1pa6 h SER 102 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1pa6 h SER 102 Cb 1.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1pa6 h SER 102 CO 0.83 0.00 -0.03 0.00 -1.14 0.00 0.00 176.83 176.48 1pa6 h ALA 103 N 1.31 1.00 0.00 3.77 0.00 -1.96 -3.30 119.26 120.09 1pa6 h ALA 103 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1pa6 h ALA 103 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pa6 h ALA 103 CO 0.00 0.04 -1.45 0.39 0.00 0.00 0.00 179.25 178.23 1pa6 n GLU 104 N -3.14 2.74 -3.47 0.00 1.02 0.13 -4.92 120.64 113.00 1pa6 n GLU 104 Ca 0.01 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1pa6 n GLU 104 Cb 0.35 -1.17 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 1pa6 n GLU 104 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pa6 s VAL 105 N -2.18 4.96 -1.17 2.62 1.01 -0.49 -4.94 120.40 120.20 1pa6 s VAL 105 Ca -0.03 -1.02 0.21 0.00 0.00 0.00 0.00 61.98 61.14 1pa6 s VAL 105 Cb 0.02 -3.91 0.26 0.00 0.00 0.00 0.00 36.38 32.75 1pa6 s VAL 105 CO 0.28 -0.47 1.69 2.22 0.00 0.00 0.00 175.10 178.82 1pa6 n PHE 106 N 5.11 0.00 -1.36 5.22 1.16 -1.26 -2.72 117.46 123.61 1pa6 n PHE 106 Ca -0.12 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.14 1pa6 n PHE 106 Cb 0.44 -0.41 0.09 0.00 -1.61 0.00 0.00 39.48 37.99 1pa6 n PHE 106 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1pa6 n THR 107 N -1.41 3.51 -4.10 1.97 -2.24 -1.26 -4.80 114.28 105.95 1pa6 n THR 107 Ca 0.07 -2.87 -0.12 0.00 -2.27 0.00 0.00 64.05 58.86 1pa6 n THR 107 Cb 0.22 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.32 1pa6 n THR 107 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pa6 s SER 108 N -1.87 0.27 -0.23 3.42 1.04 -1.10 -4.70 113.70 110.52 1pa6 s SER 108 Ca 0.63 -1.24 -0.17 0.00 0.48 0.00 0.00 55.95 55.65 1pa6 s SER 108 Cb 0.50 0.53 0.07 0.00 0.10 0.00 0.00 66.02 67.21 1pa6 s SER 108 CO 0.01 -1.06 0.60 -0.47 0.98 0.00 0.00 173.24 173.29 1pa6 s TYR 109 N -3.85 -0.79 -1.43 5.02 5.04 -0.22 -4.90 117.35 116.21 1pa6 s TYR 109 Ca 0.31 1.73 -0.10 0.00 -2.44 0.00 0.00 57.07 56.57 1pa6 s TYR 109 Cb 0.02 0.37 0.05 0.00 0.35 0.00 0.00 41.96 42.75 1pa6 s TYR 109 CO 0.13 -0.40 1.03 0.00 -1.34 0.00 0.00 175.55 174.97 1pa6 n ALA 110 N 3.57 -1.41 -2.19 3.97 0.00 -1.26 -1.56 120.51 121.64 1pa6 n ALA 110 Ca -0.18 0.22 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 1pa6 n ALA 110 Cb 0.57 -4.46 -0.03 0.00 0.00 0.00 0.00 19.45 15.53 1pa6 n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pa6 n ASN 111 N -2.94 -5.06 -4.18 0.00 4.13 -1.26 -4.97 115.26 100.99 1pa6 n ASN 111 Ca -0.02 0.16 -0.20 0.00 1.68 0.00 0.00 54.58 56.20 1pa6 n ASN 111 Cb 0.56 -4.31 -0.13 0.00 -1.54 0.00 0.00 39.78 34.36 1pa6 n ASN 111 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1pa6 s LEU 112 N -5.50 2.24 -0.12 3.41 1.43 -0.60 -1.92 118.68 117.63 1pa6 s LEU 112 Ca 0.00 -0.56 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1pa6 s LEU 112 Cb 0.00 -0.61 0.04 0.00 0.03 0.00 0.00 46.19 45.65 1pa6 s LEU 112 CO 0.00 -0.01 0.29 -0.70 0.23 0.00 0.00 176.35 176.16 1pa6 s GLU 113 N -1.52 0.31 -0.26 1.70 2.12 -0.57 -1.06 118.70 119.43 1pa6 s GLU 113 Ca 0.01 0.49 -0.09 0.00 0.36 0.00 0.00 54.97 55.74 1pa6 s GLU 113 Cb -0.09 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.32 1pa6 s GLU 113 CO 0.02 -0.09 0.12 0.00 -0.54 0.00 0.00 175.26 174.77 1pa6 s ALA 114 N 0.64 3.32 -0.08 6.30 0.00 -1.26 -0.62 121.76 130.06 1pa6 s ALA 114 Ca -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1pa6 s ALA 114 Cb -0.05 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1pa6 s ALA 114 CO -0.04 -0.49 0.10 1.03 0.00 0.00 0.00 175.76 176.36 1pa6 s ARG 115 N 1.63 3.25 -0.55 0.00 0.52 0.02 -4.95 118.95 118.87 1pa6 s ARG 115 Ca 0.07 -0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 54.80 1pa6 s ARG 115 Cb -0.15 -3.02 0.09 0.00 0.52 0.00 0.00 34.95 32.39 1pa6 s ARG 115 CO 0.06 0.73 0.64 -1.17 0.02 0.00 0.00 175.30 175.58 1pa6 s LEU 116 N -1.21 5.35 -0.30 2.53 2.96 -1.26 -2.58 118.68 124.17 1pa6 s LEU 116 Ca 0.17 -1.30 -0.24 0.00 -0.22 0.00 0.00 54.13 52.54 1pa6 s LEU 116 Cb -0.12 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.24 1pa6 s LEU 116 CO 0.07 -0.99 0.83 -0.63 -1.32 0.00 0.00 176.35 174.31 1pa6 s ILE 117 N 2.49 4.76 -0.28 6.68 -1.09 0.22 0.06 121.20 134.05 1pa6 s ILE 117 Ca 0.11 1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 59.73 1pa6 s ILE 117 Cb -0.23 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1pa6 s ILE 117 CO 0.08 -0.25 0.18 -0.69 -1.23 0.00 0.00 174.94 173.02 1pa6 s VAL 118 N 3.03 5.25 -0.21 2.92 1.01 0.52 -0.82 120.40 132.09 1pa6 s VAL 118 Ca 0.34 0.15 0.14 0.00 0.00 0.00 0.00 61.98 62.61 1pa6 s VAL 118 Cb -0.14 -3.50 -0.23 0.00 0.00 0.00 0.00 36.38 32.51 1pa6 s VAL 118 CO 0.12 0.26 0.01 1.41 0.00 0.00 0.00 175.10 176.90 1pa6 n HIS 119 N 5.02 0.02 -3.66 5.22 8.25 -0.00 -2.51 115.22 127.57 1pa6 n HIS 119 Ca -0.14 0.01 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 1pa6 n HIS 119 Cb 0.52 -1.00 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 1pa6 n HIS 119 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1pa6 s SER 120 N -5.74 -0.75 -0.01 0.41 0.15 -0.87 -3.78 113.70 103.10 1pa6 s SER 120 Ca -0.16 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.80 1pa6 s SER 120 Cb 0.07 1.69 0.02 0.00 -1.71 0.00 0.00 66.02 66.08 1pa6 s SER 120 CO 0.78 -0.22 0.01 0.72 1.20 0.00 0.00 173.24 175.72 1pa6 s PHE 121 N 2.46 0.09 -0.16 3.44 -0.00 -1.26 -0.75 117.98 121.81 1pa6 s PHE 121 Ca -0.06 0.04 -0.07 0.00 -0.00 0.00 0.00 56.93 56.85 1pa6 s PHE 121 Cb -0.11 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.02 42.70 1pa6 s PHE 121 CO -0.16 -0.05 0.08 0.21 -0.00 0.00 0.00 175.22 175.30 1pa6 s LYS 122 N 0.56 3.77 -0.60 1.99 2.20 0.16 -4.87 119.74 122.95 1pa6 s LYS 122 Ca -0.05 -0.28 -0.21 0.00 -0.36 0.00 0.00 55.97 55.07 1pa6 s LYS 122 Cb -0.07 -3.19 0.08 0.00 -1.51 0.00 0.00 37.83 33.13 1pa6 s LYS 122 CO -0.01 0.45 0.82 -1.25 -0.36 0.00 0.00 175.35 175.00 1pa6 s PRO 123 N -0.12 3.11 -1.08 4.03 0.04 -1.26 0.47 135.00 140.19 1pa6 s PRO 123 Ca 0.08 -0.94 -0.20 0.00 0.04 0.00 0.00 61.00 59.99 1pa6 s PRO 123 Cb -0.12 -4.20 -0.07 0.00 0.04 0.00 0.00 34.50 30.15 1pa6 s PRO 123 CO 0.01 -1.60 1.99 0.09 0.04 0.00 0.00 177.00 177.53 1pa6 n ASN 124 N 6.99 3.25 -4.63 6.66 4.13 -0.86 -4.92 115.26 125.88 1pa6 n ASN 124 Ca -0.06 -2.75 -0.54 0.00 1.68 0.00 0.00 54.58 52.92 1pa6 n ASN 124 Cb 0.45 -1.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.19 1pa6 n ASN 124 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pa6 n LEU 125 N 8.40 1.87 -2.75 3.41 4.77 -1.26 -2.65 117.00 128.77 1pa6 n LEU 125 Ca 0.49 1.11 -0.17 0.00 -0.03 0.00 0.00 56.01 57.41 1pa6 n LEU 125 Cb 0.42 -1.18 0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1pa6 n LEU 125 CO 0.91 -0.86 0.17 1.67 -1.33 0.00 0.00 177.39 177.95 1pa6 n GLN 126 N 3.37 -5.74 -3.69 3.23 7.27 -1.26 -5.01 117.38 115.55 1pa6 n GLN 126 Ca 0.21 0.60 -0.38 0.00 0.07 0.00 0.00 57.00 57.50 1pa6 n GLN 126 Cb 0.17 -4.96 -0.12 0.00 2.41 0.00 0.00 30.24 27.74 1pa6 n GLN 126 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1pa6 s GLU 127 N -5.88 3.05 -0.07 3.69 2.12 -1.08 -5.06 118.70 115.46 1pa6 s GLU 127 Ca 0.39 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 1pa6 s GLU 127 Cb -0.17 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 1pa6 s GLU 127 CO 0.53 -0.52 1.09 0.50 -0.54 0.00 0.00 175.26 176.32 1pa6 s ARG 128 N 1.53 4.41 0.34 4.30 6.06 -1.26 -4.63 118.95 129.69 1pa6 s ARG 128 Ca 0.03 1.52 -0.01 0.00 -2.50 0.00 0.00 55.73 54.76 1pa6 s ARG 128 Cb -0.18 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.26 1pa6 s ARG 128 CO 0.05 -0.35 0.56 -1.17 -2.50 0.00 0.00 175.30 171.89 1pa6 s LEU 129 N 1.98 4.00 0.56 -0.88 2.96 -1.26 -5.08 118.68 120.97 1pa6 s LEU 129 Ca 0.52 0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 54.76 1pa6 s LEU 129 Cb -0.21 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1pa6 s LEU 129 CO 0.21 -0.29 1.19 0.20 -1.32 0.00 0.00 176.35 176.33 1pa6 s ASN 130 N -3.85 5.45 0.23 3.68 -0.87 -1.26 -4.97 114.94 113.35 1pa6 s ASN 130 Ca 0.41 2.33 -0.30 0.00 -1.57 0.00 0.00 52.86 53.73 1pa6 s ASN 130 Cb -0.10 -2.60 -0.10 0.00 -0.02 0.00 0.00 41.25 38.43 1pa6 s ASN 130 CO 0.35 -1.41 1.50 -2.84 -2.57 0.00 0.00 177.10 172.13 1pa6 s PRO 131 N -3.23 4.23 0.30 -0.60 0.02 -1.26 -5.03 135.00 129.43 1pa6 s PRO 131 Ca 0.74 2.36 0.03 0.00 0.02 0.00 0.00 61.00 64.15 1pa6 s PRO 131 Cb -0.29 -3.11 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1pa6 s PRO 131 CO 0.32 -0.50 0.15 0.95 -0.33 0.00 0.00 177.00 177.58 1pa6 s THR 132 N 0.34 0.37 0.82 0.99 -4.23 -1.26 -5.15 115.64 107.53 1pa6 s THR 132 Ca 0.63 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1pa6 s THR 132 Cb -0.43 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 70.97 1pa6 s THR 132 CO 0.40 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.57 1pa6 s ARG 133 N -3.85 1.84 0.22 3.99 1.70 -1.26 -4.93 118.95 116.66 1pa6 s ARG 133 Ca 0.36 1.00 -0.31 0.00 -0.47 0.00 0.00 55.73 56.30 1pa6 s ARG 133 Cb 0.05 -1.86 -0.11 0.00 -0.57 0.00 0.00 34.95 32.46 1pa6 s ARG 133 CO 0.17 -1.88 1.63 -0.47 -1.08 0.00 0.00 175.30 173.66 1pa6 s TYR 134 N -2.93 2.93 0.22 5.89 5.04 -1.26 -4.80 117.35 122.43 1pa6 s TYR 134 Ca 0.62 0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 55.52 1pa6 s TYR 134 Cb -0.17 -4.04 -0.09 0.00 0.35 0.00 0.00 41.96 38.01 1pa6 s TYR 134 CO 0.56 -3.78 1.24 -1.25 -1.34 0.00 0.00 175.55 170.98 1pa6 s PRO 135 N 0.68 4.45 0.09 4.97 0.04 -1.26 -4.90 135.00 139.08 1pa6 s PRO 135 Ca 0.70 1.97 0.09 0.00 0.04 0.00 0.00 61.00 63.81 1pa6 s PRO 135 Cb -0.47 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1pa6 s PRO 135 CO 0.36 -0.13 -0.23 0.14 0.04 0.00 0.00 177.00 177.18 1pa6 s VAL 136 N -0.22 2.47 -0.03 -0.36 -7.23 -1.04 -4.80 120.40 109.19 1pa6 s VAL 136 Ca 0.53 -1.52 -0.32 0.00 -1.81 0.00 0.00 61.98 58.86 1pa6 s VAL 136 Cb -0.35 -2.07 -0.11 0.00 0.56 0.00 0.00 36.38 34.42 1pa6 s VAL 136 CO 0.39 0.19 1.92 -3.20 -0.31 0.00 0.00 175.10 174.10 1pa6 n ASN 137 N 1.17 3.78 -0.01 4.85 2.85 -1.26 -1.77 115.26 124.86 1pa6 n ASN 137 Ca -0.17 0.94 0.04 0.00 -0.11 0.00 0.00 54.58 55.29 1pa6 n ASN 137 Cb 0.53 -1.44 0.42 0.00 1.24 0.00 0.00 39.78 40.52 1pa6 n ASN 137 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1pa6 h LEU 138 N 9.79 0.48 -0.84 1.20 5.85 -1.93 -0.98 115.31 128.88 1pa6 h LEU 138 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1pa6 h LEU 138 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1pa6 h LEU 138 CO 0.94 0.35 0.00 0.49 -0.34 0.00 0.00 178.44 179.88 1pa6 n PHE 139 N -4.47 0.05 -0.18 1.25 3.01 -1.26 -2.31 117.46 113.55 1pa6 n PHE 139 Ca 0.04 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1pa6 n PHE 139 Cb 0.07 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1pa6 n PHE 139 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1pa6 n ARG 140 N -0.09 -0.70 -2.71 -1.08 5.12 -0.38 -4.77 116.66 112.06 1pa6 n ARG 140 Ca 0.01 -0.44 -0.42 0.00 -1.93 0.00 0.00 57.85 55.06 1pa6 n ARG 140 Cb 0.22 -0.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.58 1pa6 n ARG 140 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pa6 s ASP 141 N -0.03 7.30 0.16 0.55 -1.08 -0.98 -4.95 116.67 117.64 1pa6 s ASP 141 Ca 0.00 1.58 -0.27 0.00 -0.52 0.00 0.00 52.55 53.34 1pa6 s ASP 141 Cb 0.00 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1pa6 s ASP 141 CO 0.00 -0.35 1.56 -0.78 0.52 0.00 0.00 175.17 176.12 1pa6 h ASP 142 N 6.94 -1.62 -0.64 -0.34 1.82 -1.96 0.16 116.42 120.78 1pa6 h ASP 142 Ca -0.36 0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 1pa6 h ASP 142 Cb 1.18 0.72 -0.03 0.00 0.68 0.00 0.00 39.33 41.89 1pa6 h ASP 142 CO 0.80 -0.34 0.35 -0.33 -1.61 0.00 0.00 179.24 178.12 1pa6 h GLU 143 N -0.23 0.89 -0.27 0.28 5.08 -1.97 -1.58 114.58 116.78 1pa6 h GLU 143 Ca 0.16 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1pa6 h GLU 143 Cb 0.56 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1pa6 h GLU 143 CO -0.70 0.67 0.07 0.35 -1.00 0.00 0.00 179.01 178.39 1pa6 h PHE 144 N 0.87 0.46 -0.46 4.33 3.57 -1.64 0.39 116.94 124.46 1pa6 h PHE 144 Ca 0.23 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1pa6 h PHE 144 Cb 0.04 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1pa6 h PHE 144 CO -0.01 0.51 0.16 0.87 -2.23 0.00 0.00 178.31 177.61 1pa6 h LYS 145 N 0.27 0.32 -0.21 1.11 1.57 -0.65 -0.16 116.57 118.83 1pa6 h LYS 145 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1pa6 h LYS 145 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1pa6 h LYS 145 CO 0.00 0.21 0.13 1.15 -0.57 0.00 0.00 179.45 180.37 1pa6 h THR 146 N 0.33 1.06 -0.21 -0.16 2.02 -0.77 0.17 112.91 115.36 1pa6 h THR 146 Ca 0.22 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 1pa6 h THR 146 Cb 0.22 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1pa6 h THR 146 CO -0.22 0.06 -0.45 0.74 0.37 0.00 0.00 175.52 176.02 1pa6 h THR 147 N 0.28 1.31 0.13 3.16 2.02 0.75 -1.06 112.91 119.51 1pa6 h THR 147 Ca 0.08 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1pa6 h THR 147 Cb -0.01 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1pa6 h THR 147 CO -0.01 0.51 -0.06 0.40 0.37 0.00 0.00 175.52 176.72 1pa6 h ILE 148 N 0.42 1.03 -0.97 3.11 2.04 0.46 -2.21 117.51 121.40 1pa6 h ILE 148 Ca 0.03 -0.95 0.26 0.00 1.00 0.00 0.00 64.86 65.20 1pa6 h ILE 148 Cb 0.96 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.58 1pa6 h ILE 148 CO 0.08 0.22 0.67 1.56 0.00 0.00 0.00 178.15 180.69 1pa6 h GLN 149 N -0.65 0.15 -0.50 2.37 4.20 -0.67 0.65 115.11 120.66 1pa6 h GLN 149 Ca -0.02 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1pa6 h GLN 149 Cb 0.49 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1pa6 h GLN 149 CO 0.03 0.10 -0.19 1.25 -0.67 0.00 0.00 178.83 179.35 1pa6 h HIS 150 N 0.16 1.14 0.09 2.96 2.76 -0.86 -0.40 115.15 121.00 1pa6 h HIS 150 Ca 0.49 -0.27 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1pa6 h HIS 150 Cb 1.65 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 30.32 1pa6 h HIS 150 CO -0.00 1.10 -0.16 0.35 -1.30 0.00 0.00 177.93 177.92 1pa6 h PHE 151 N 0.86 -0.40 -0.29 5.26 3.57 0.88 -1.65 116.94 125.16 1pa6 h PHE 151 Ca 0.12 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1pa6 h PHE 151 Cb 0.77 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1pa6 h PHE 151 CO 0.05 -0.23 -0.24 0.00 -2.23 0.00 0.00 178.31 175.66 1pa6 h ARG 152 N -0.30 0.56 -0.66 1.11 3.08 -1.23 -2.23 114.38 114.71 1pa6 h ARG 152 Ca 0.02 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1pa6 h ARG 152 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1pa6 h ARG 152 CO -0.09 0.75 0.28 1.25 -1.07 0.00 0.00 179.97 181.10 1pa6 h HIS 153 N 0.49 0.95 -0.15 3.04 2.76 -0.81 0.29 115.15 121.72 1pa6 h HIS 153 Ca 0.07 -0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 58.01 1pa6 h HIS 153 Cb 0.68 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.34 1pa6 h HIS 153 CO 0.03 0.72 -0.65 1.15 -1.30 0.00 0.00 177.93 177.88 1pa6 h THR 154 N 0.94 1.33 0.09 6.26 2.02 -0.99 -0.72 112.91 121.84 1pa6 h THR 154 Ca 0.22 -1.94 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1pa6 h THR 154 Cb 0.15 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1pa6 h THR 154 CO -0.02 0.60 -0.04 0.00 0.37 0.00 0.00 175.52 176.42 1pa6 h ALA 155 N 0.88 -0.12 0.20 6.16 0.00 -0.92 -2.51 119.26 122.94 1pa6 h ALA 155 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pa6 h ALA 155 Cb 1.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1pa6 h ALA 155 CO 0.12 -0.38 -0.17 1.25 0.00 0.00 0.00 179.25 180.07 1pa6 h LEU 156 N -0.49 -0.44 -1.61 0.00 5.85 -0.44 -0.15 115.31 118.03 1pa6 h LEU 156 Ca -0.01 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1pa6 h LEU 156 Cb 0.41 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1pa6 h LEU 156 CO 0.02 -0.26 -0.02 -0.61 -0.34 0.00 0.00 178.44 177.23 1pa6 h GLN 157 N -0.38 0.22 -0.04 1.25 4.15 -1.21 0.21 115.11 119.31 1pa6 h GLN 157 Ca -0.01 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 1pa6 h GLN 157 Cb 0.35 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.00 1pa6 h GLN 157 CO -0.02 0.26 -0.34 0.00 -1.93 0.00 0.00 178.83 176.79 1pa6 h ALA 158 N 1.77 0.10 -0.43 3.38 0.00 -1.21 -2.58 119.26 120.30 1pa6 h ALA 158 Ca 0.05 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1pa6 h ALA 158 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1pa6 h ALA 158 CO 0.01 0.18 0.21 0.00 0.00 0.00 0.00 179.25 179.65 1pa6 h ALA 159 N 0.37 0.54 -0.54 0.00 0.00 -0.35 -2.59 119.26 116.70 1pa6 h ALA 159 Ca -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pa6 h ALA 159 Cb 1.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1pa6 h ALA 159 CO 0.07 -0.14 0.32 0.82 0.00 0.00 0.00 179.25 180.32 1pa6 h ILE 160 N 0.43 1.16 0.00 0.00 2.04 -0.57 -0.63 117.51 119.94 1pa6 h ILE 160 Ca 0.19 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pa6 h ILE 160 Cb 0.10 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1pa6 h ILE 160 CO -0.13 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.77 1pa6 n ASN 161 N -4.66 0.00 -0.08 1.72 3.02 -0.97 -0.58 115.26 113.70 1pa6 n ASN 161 Ca 0.03 0.30 -0.08 0.00 -0.03 0.00 0.00 54.58 54.80 1pa6 n ASN 161 Cb 0.06 -0.39 -0.14 0.00 -0.61 0.00 0.00 39.78 38.70 1pa6 n ASN 161 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pa6 n LYS 162 N -1.39 1.15 -0.09 3.52 4.81 -0.80 -4.68 118.16 120.69 1pa6 n LYS 162 Ca 0.05 -0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.31 1pa6 n LYS 162 Cb 0.12 -1.45 -0.11 0.00 0.02 0.00 0.00 35.03 33.62 1pa6 n LYS 162 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1pa6 h THR 163 N 0.00 1.13 -3.34 3.15 2.02 -0.50 -3.46 112.91 111.91 1pa6 h THR 163 Ca -0.46 -2.09 -0.56 0.00 0.77 0.00 0.00 66.41 64.08 1pa6 h THR 163 Cb 2.03 2.37 -0.05 0.00 -1.74 0.00 0.00 68.15 70.76 1pa6 h THR 163 CO 0.02 0.38 0.31 -0.69 0.37 0.00 0.00 175.52 175.92 1pa6 s VAL 164 N -2.25 4.92 0.26 3.16 1.01 0.25 -5.03 120.40 122.72 1pa6 s VAL 164 Ca -0.22 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.29 1pa6 s VAL 164 Cb 0.02 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1pa6 s VAL 164 CO 0.57 0.13 0.62 -1.59 0.00 0.00 0.00 175.10 174.82 1pa6 s LYS 165 N 1.45 1.67 0.00 2.72 -2.85 -1.26 -4.71 119.74 116.76 1pa6 s LYS 165 Ca 0.42 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.33 1pa6 s LYS 165 Cb -0.18 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1pa6 s LYS 165 CO 0.18 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.30 1pa6 n GLY 166 N -0.42 1.83 3.59 0.59 0.00 -1.26 -4.31 105.19 105.20 1pa6 n GLY 166 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1pa6 n GLY 166 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pa6 n ASP 167 N 0.00 -3.58 -3.95 1.61 8.00 -1.26 -4.81 116.55 112.56 1pa6 n ASP 167 Ca 0.00 -0.85 -0.40 0.00 0.71 0.00 0.00 54.79 54.25 1pa6 n ASP 167 Cb 0.00 -4.14 -0.03 0.00 -0.02 0.00 0.00 41.12 36.92 1pa6 n ASP 167 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pa6 n ASN 168 N -2.98 3.30 -4.75 -2.24 5.15 -1.26 -4.92 115.26 107.56 1pa6 n ASN 168 Ca -0.19 -2.76 -0.41 0.00 -0.60 0.00 0.00 54.58 50.63 1pa6 n ASN 168 Cb 0.64 -1.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.39 1pa6 n ASN 168 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pa6 s LEU 169 N 3.58 4.55 0.14 1.20 1.43 -1.26 -4.98 118.68 123.34 1pa6 s LEU 169 Ca 0.56 2.05 -0.35 0.00 -1.03 0.00 0.00 54.13 55.36 1pa6 s LEU 169 Cb 0.10 -3.61 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1pa6 s LEU 169 CO 0.06 -0.06 1.45 0.52 0.23 0.00 0.00 176.35 178.54 1pa6 n VAL 170 N 1.87 0.11 -1.85 -1.59 0.31 -1.26 -4.83 118.33 111.09 1pa6 n VAL 170 Ca 0.00 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1pa6 n VAL 170 Cb 0.46 -1.21 -0.03 0.00 -0.91 0.00 0.00 33.84 32.16 1pa6 n VAL 170 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pa6 s ASP 171 N 0.65 6.54 0.52 4.52 -1.08 -1.26 -4.85 116.67 121.71 1pa6 s ASP 171 Ca 0.80 2.57 0.30 0.00 -0.52 0.00 0.00 52.55 55.70 1pa6 s ASP 171 Cb -0.80 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 39.55 1pa6 s ASP 171 CO 0.43 -0.94 1.88 -0.29 0.52 0.00 0.00 175.17 176.77 1pa6 h ILE 172 N 4.87 0.55 0.00 4.11 2.10 -2.01 0.30 117.51 127.44 1pa6 h ILE 172 Ca -0.44 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1pa6 h ILE 172 Cb 1.21 0.51 0.00 0.00 -1.09 0.00 0.00 36.82 37.44 1pa6 h ILE 172 CO 0.94 0.01 0.00 0.77 -1.08 0.00 0.00 178.15 178.79 1pa6 h SER 173 N 0.04 0.00 0.25 2.19 4.64 -1.88 -2.12 113.55 116.67 1pa6 h SER 173 Ca 0.44 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.54 1pa6 h SER 173 Cb 1.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1pa6 h SER 173 CO -0.03 0.00 -0.88 0.11 -0.87 0.00 0.00 176.83 175.16 1pa6 h LYS 174 N 0.00 0.47 -0.04 4.77 1.57 -0.75 -3.25 116.57 119.34 1pa6 h LYS 174 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pa6 h LYS 174 Cb 0.25 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1pa6 h LYS 174 CO 0.00 1.10 0.00 1.33 -0.57 0.00 0.00 179.45 181.31 1pa6 n VAL 175 N -3.79 0.03 -4.45 0.50 0.24 -0.92 -4.63 118.33 105.30 1pa6 n VAL 175 Ca -0.06 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.34 61.50 1pa6 n VAL 175 Cb 0.80 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 34.07 1pa6 n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pa6 s ALA 176 N -1.97 3.18 -1.34 2.33 0.00 -0.84 -4.49 121.76 118.63 1pa6 s ALA 176 Ca 0.33 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1pa6 s ALA 176 Cb 0.20 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1pa6 s ALA 176 CO 0.31 0.56 1.02 -3.47 0.00 0.00 0.00 175.76 174.18 1pa6 n ASP 177 N 2.25 -4.00 -1.68 0.00 -0.08 -1.26 -4.83 116.55 106.94 1pa6 n ASP 177 Ca -0.18 -0.65 -0.13 0.00 -1.51 0.00 0.00 54.79 52.32 1pa6 n ASP 177 Cb 0.53 -4.69 0.06 0.00 2.34 0.00 0.00 41.12 39.36 1pa6 n ASP 177 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa6 n ALA 178 N -4.58 4.36 0.07 -1.67 0.00 -1.26 -4.41 120.51 113.02 1pa6 n ALA 178 Ca -0.12 -1.41 -0.13 0.00 0.00 0.00 0.00 53.44 51.78 1pa6 n ALA 178 Cb 0.60 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 1pa6 n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pa6 h ALA 179 N 1.51 -0.18 -0.84 0.00 0.00 -1.96 -3.16 119.26 114.63 1pa6 h ALA 179 Ca 0.28 -0.16 -0.55 0.00 0.00 0.00 0.00 54.91 54.48 1pa6 h ALA 179 Cb 1.48 0.07 -0.30 0.00 0.00 0.00 0.00 17.79 19.04 1pa6 h ALA 179 CO 0.59 -0.46 0.26 0.41 0.00 0.00 0.00 179.25 180.05 1pa6 n GLY 180 N -0.37 5.71 3.14 0.00 0.00 -1.26 -4.95 105.19 107.46 1pa6 n GLY 180 Ca -0.09 -2.10 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 1pa6 n GLY 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pa6 s LYS 181 N -3.62 2.72 0.10 1.61 1.02 -1.19 -5.12 119.74 115.25 1pa6 s LYS 181 Ca 0.57 -0.75 0.09 0.00 0.02 0.00 0.00 55.97 55.91 1pa6 s LYS 181 Cb 0.47 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1pa6 s LYS 181 CO 0.02 0.01 -0.24 0.21 -0.92 0.00 0.00 175.35 174.43 1pa6 s LYS 182 N 0.77 1.31 0.10 1.68 2.47 -1.26 -4.95 119.74 119.87 1pa6 s LYS 182 Ca -0.10 -1.21 -0.13 0.00 -1.56 0.00 0.00 55.97 52.98 1pa6 s LYS 182 Cb -0.16 -1.65 0.02 0.00 -1.46 0.00 0.00 37.83 34.59 1pa6 s LYS 182 CO 0.01 0.39 0.31 0.20 0.16 0.00 0.00 175.35 176.42 1pa6 s GLY 183 N -1.84 -0.12 -0.10 5.54 0.00 -1.26 -5.15 107.32 104.40 1pa6 s GLY 183 Ca 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.41 1pa6 s GLY 183 CO 0.04 -0.50 0.32 0.54 0.00 0.00 0.00 173.10 173.50 1pa6 s LYS 184 N -3.74 4.03 0.30 2.90 1.02 -1.26 -4.99 119.74 117.99 1pa6 s LYS 184 Ca 0.03 0.18 -0.02 0.00 0.02 0.00 0.00 55.97 56.18 1pa6 s LYS 184 Cb 0.03 -3.33 0.43 0.00 -0.52 0.00 0.00 37.83 34.45 1pa6 s LYS 184 CO -0.11 0.46 1.96 -0.39 -0.92 0.00 0.00 175.35 176.35 1pa6 h VAL 185 N 4.28 1.21 0.00 3.17 -1.51 -2.04 -2.12 116.25 119.23 1pa6 h VAL 185 Ca -0.47 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.62 1pa6 h VAL 185 Cb 1.19 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.33 1pa6 h VAL 185 CO 0.69 0.21 0.10 -0.90 -1.23 0.00 0.00 177.57 176.43 1pa6 n ASP 186 N -4.41 0.00 0.00 4.19 5.75 -1.26 -0.09 116.55 120.73 1pa6 n ASP 186 Ca 0.10 0.26 0.09 0.00 -0.01 0.00 0.00 54.79 55.22 1pa6 n ASP 186 Cb 0.03 -0.26 0.41 0.00 -1.03 0.00 0.00 41.12 40.28 1pa6 n ASP 186 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pa6 n ALA 187 N -1.22 1.88 1.06 2.12 0.00 -0.80 -2.19 120.51 121.37 1pa6 n ALA 187 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1pa6 n ALA 187 Cb 0.10 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.38 1pa6 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pa6 n GLY 188 N 0.38 -0.77 3.71 0.00 0.00 0.88 -4.91 105.19 104.47 1pa6 n GLY 188 Ca 0.06 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1pa6 n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pa6 s ILE 189 N -2.78 3.89 -0.06 -0.61 1.01 -0.93 -5.03 121.20 116.70 1pa6 s ILE 189 Ca 0.15 1.34 0.03 0.00 0.00 0.00 0.00 60.65 62.17 1pa6 s ILE 189 Cb 0.18 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1pa6 s ILE 189 CO 0.68 0.08 -0.13 -0.69 0.00 0.00 0.00 174.94 174.88 1pa6 s VAL 190 N 1.31 1.19 0.17 2.92 1.01 -1.26 -5.10 120.40 120.64 1pa6 s VAL 190 Ca 0.60 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1pa6 s VAL 190 Cb -0.30 -1.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 1pa6 s VAL 190 CO 0.28 0.37 1.34 -0.54 0.00 0.00 0.00 175.10 176.54 1pa6 s LYS 191 N 0.57 4.36 0.11 2.72 -0.14 -1.26 -4.93 119.74 121.17 1pa6 s LYS 191 Ca -0.13 2.06 -0.04 0.00 -1.36 0.00 0.00 55.97 56.50 1pa6 s LYS 191 Cb -0.15 -3.21 -0.15 0.00 -1.68 0.00 0.00 37.83 32.64 1pa6 s LYS 191 CO 0.04 -0.31 1.26 0.00 -0.76 0.00 0.00 175.35 175.57 1pa6 h ALA 192 N 5.80 0.29 -3.27 5.17 0.00 -1.97 -3.44 119.26 121.82 1pa6 h ALA 192 Ca -0.44 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 53.57 1pa6 h ALA 192 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1pa6 h ALA 192 CO 0.80 0.86 -0.03 -1.13 0.00 0.00 0.00 179.25 179.75 1pa6 n SER 193 N -3.68 -0.98 -1.02 0.00 3.41 -1.26 -3.19 113.62 106.90 1pa6 n SER 193 Ca -0.07 -2.13 0.03 0.00 -0.26 0.00 0.00 58.87 56.43 1pa6 n SER 193 Cb 0.89 1.77 0.15 0.00 -0.26 0.00 0.00 64.21 66.76 1pa6 n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pa6 n ALA 194 N -1.55 3.02 -1.50 7.33 0.00 -1.26 -4.96 120.51 121.59 1pa6 n ALA 194 Ca -0.09 -0.71 -0.38 0.00 0.00 0.00 0.00 53.44 52.26 1pa6 n ALA 194 Cb 0.37 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.81 1pa6 n ALA 194 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pa6 n SER 195 N 0.23 -0.49 -0.02 0.00 7.64 -1.26 -4.92 113.62 114.80 1pa6 n SER 195 Ca 0.10 0.75 -0.16 0.00 1.01 0.00 0.00 58.87 60.57 1pa6 n SER 195 Cb 0.61 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.46 1pa6 n SER 195 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pa6 h LYS 196 N 0.26 0.37 0.00 1.43 1.57 -1.93 -3.48 116.57 114.80 1pa6 h LYS 196 Ca -0.47 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 57.97 1pa6 h LYS 196 Cb 1.39 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.78 1pa6 h LYS 196 CO 0.48 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.78 1pa6 n GLY 197 N 0.89 1.78 0.28 3.86 0.00 -1.26 -5.00 105.19 105.74 1pa6 n GLY 197 Ca -0.09 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 43.99 1pa6 n GLY 197 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pa6 n ASP 198 N -2.05 0.85 -4.68 1.61 -0.08 -1.26 -4.81 116.55 106.14 1pa6 n ASP 198 Ca 0.00 -1.34 -0.35 0.00 -1.51 0.00 0.00 54.79 51.59 1pa6 n ASP 198 Cb 0.00 -0.01 -0.09 0.00 2.34 0.00 0.00 41.12 43.35 1pa6 n ASP 198 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1pa6 s GLU 199 N -1.98 2.97 0.26 -0.67 2.12 -1.26 -5.09 118.70 115.06 1pa6 s GLU 199 Ca 0.40 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.02 1pa6 s GLU 199 Cb 0.20 -2.79 -0.09 0.00 0.26 0.00 0.00 34.13 31.71 1pa6 s GLU 199 CO 0.33 0.70 1.27 0.12 -0.54 0.00 0.00 175.26 177.14 1pa6 s PHE 200 N -0.88 3.25 0.00 5.30 5.36 -1.26 -4.81 117.98 124.93 1pa6 s PHE 200 Ca 0.13 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1pa6 s PHE 200 Cb -0.11 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1pa6 s PHE 200 CO 0.02 -1.60 0.20 -1.13 -1.46 0.00 0.00 175.22 171.25 1pa6 n SER 201 N 1.71 0.00 -3.76 6.13 3.41 -1.26 -5.00 113.62 114.85 1pa6 n SER 201 Ca 0.03 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 1pa6 n SER 201 Cb 0.43 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 1pa6 n SER 201 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pa6 n ASP 202 N 0.00 3.50 -4.85 4.04 -0.08 -1.26 -4.93 116.55 112.97 1pa6 n ASP 202 Ca 0.00 -2.79 -0.28 0.00 -1.51 0.00 0.00 54.79 50.21 1pa6 n ASP 202 Cb 0.47 -1.50 -0.05 0.00 2.34 0.00 0.00 41.12 42.38 1pa6 n ASP 202 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1pa6 s PHE 203 N 3.96 3.31 -0.13 -0.67 0.40 -1.26 -4.77 117.98 118.81 1pa6 s PHE 203 Ca 0.51 0.08 0.18 0.00 -0.60 0.00 0.00 56.93 57.09 1pa6 s PHE 203 Cb 0.13 -1.61 -0.15 0.00 0.51 0.00 0.00 43.02 41.90 1pa6 s PHE 203 CO -0.01 0.53 0.76 -1.13 0.70 0.00 0.00 175.22 176.06 1pa6 n SER 204 N -0.15 0.74 -4.76 1.36 3.41 -1.26 -4.91 113.62 108.05 1pa6 n SER 204 Ca -0.07 0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 58.47 1pa6 n SER 204 Cb 0.53 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 1pa6 n SER 204 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1pa6 s PHE 205 N -2.95 2.71 -0.43 7.33 -0.12 -1.26 -4.94 117.98 118.31 1pa6 s PHE 205 Ca -0.04 1.41 -0.20 0.00 -0.05 0.00 0.00 56.93 58.06 1pa6 s PHE 205 Cb 0.09 -3.66 0.02 0.00 -0.63 0.00 0.00 43.02 38.84 1pa6 s PHE 205 CO 0.82 -2.19 0.59 -1.59 -0.05 0.00 0.00 175.22 172.79 1pa6 s LYS 206 N -2.44 3.26 -0.40 1.99 -2.85 -1.26 -4.98 119.74 113.05 1pa6 s LYS 206 Ca 0.61 -0.45 -0.39 0.00 -1.00 0.00 0.00 55.97 54.74 1pa6 s LYS 206 Cb -0.37 -3.95 -0.15 0.00 -2.06 0.00 0.00 37.83 31.30 1pa6 s LYS 206 CO 0.47 -0.95 2.12 -1.91 0.10 0.00 0.00 175.35 175.18 1pa6 n GLU 207 N 6.08 0.65 -1.21 1.78 2.13 -1.26 -4.88 120.64 123.94 1pa6 n GLU 207 Ca -0.03 0.19 -0.35 0.00 0.66 0.00 0.00 57.16 57.63 1pa6 n GLU 207 Cb 0.48 -2.05 0.10 0.00 0.27 0.00 0.00 31.44 30.24 1pa6 n GLU 207 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pa6 n GLY 208 N 6.64 -0.77 2.82 8.31 0.00 -0.93 -5.02 105.19 116.23 1pa6 n GLY 208 Ca 0.45 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1pa6 n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pa6 s ASN 209 N -1.76 0.21 -0.29 1.61 4.22 -1.26 -4.84 114.94 112.82 1pa6 s ASN 209 Ca 0.70 -0.00 -0.16 0.00 -2.14 0.00 0.00 52.86 51.26 1pa6 s ASN 209 Cb -0.32 -0.11 0.16 0.00 1.28 0.00 0.00 41.25 42.27 1pa6 s ASN 209 CO 0.54 -0.08 1.02 0.28 -2.04 0.00 0.00 177.10 176.82 1pa6 s THR 210 N 0.74 -0.19 0.16 0.54 -1.32 -1.26 -5.14 115.64 109.17 1pa6 s THR 210 Ca -0.07 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.10 1pa6 s THR 210 Cb -0.10 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 1pa6 s THR 210 CO -0.02 0.00 1.60 0.00 -2.21 0.00 0.00 174.62 173.99 1pa6 s ALA 211 N 1.75 3.78 0.09 11.08 0.00 -1.26 -5.00 121.76 132.21 1pa6 s ALA 211 Ca -0.06 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1pa6 s ALA 211 Cb -0.04 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.40 1pa6 s ALA 211 CO -0.15 -0.84 -0.10 -0.08 0.00 0.00 0.00 175.76 174.58 1pa6 s THR 212 N 1.36 0.90 0.08 0.00 -1.32 -1.26 -4.52 115.64 110.88 1pa6 s THR 212 Ca 0.71 -1.60 -0.18 0.00 -1.21 0.00 0.00 61.69 59.42 1pa6 s THR 212 Cb -0.44 -1.30 -0.07 0.00 -1.51 0.00 0.00 72.50 69.18 1pa6 s THR 212 CO 0.32 -0.55 0.54 -0.76 -2.21 0.00 0.00 174.62 171.96 1pa6 s LEU 213 N -2.38 4.48 0.10 9.08 1.43 -0.41 -4.95 118.68 126.03 1pa6 s LEU 213 Ca 0.04 1.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.03 1pa6 s LEU 213 Cb -0.03 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1pa6 s LEU 213 CO -0.00 0.25 0.96 -0.54 0.23 0.00 0.00 176.35 177.25 1pa6 s LYS 214 N -1.27 4.68 0.65 1.70 1.02 -1.26 -4.67 119.74 120.58 1pa6 s LYS 214 Ca 0.30 1.44 0.26 0.00 0.02 0.00 0.00 55.97 57.99 1pa6 s LYS 214 Cb -0.18 -3.39 1.36 0.00 -0.52 0.00 0.00 37.83 35.11 1pa6 s LYS 214 CO 0.18 0.18 1.78 0.97 -0.92 0.00 0.00 175.35 177.54 1pa6 h ILE 215 N 4.13 0.09 -0.01 2.17 -0.00 -1.97 0.34 117.51 122.26 1pa6 h ILE 215 Ca -0.43 0.00 -0.22 0.00 -0.00 0.00 0.00 64.86 64.21 1pa6 h ILE 215 Cb 1.21 0.55 0.00 0.00 -0.00 0.00 0.00 36.82 38.58 1pa6 h ILE 215 CO 0.72 0.00 -0.91 0.00 -0.00 0.00 0.00 178.15 177.96 1pa6 h ALA 216 N 1.17 0.39 -0.39 0.18 0.00 -1.90 -3.07 119.26 115.64 1pa6 h ALA 216 Ca 0.07 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 1pa6 h ALA 216 Cb 1.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pa6 h ALA 216 CO -0.00 0.81 -0.08 -0.44 0.00 0.00 0.00 179.25 179.54 1pa6 h ASP 217 N 0.24 0.74 0.47 0.00 3.32 -1.31 -2.02 116.42 117.85 1pa6 h ASP 217 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1pa6 h ASP 217 Cb 1.54 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1pa6 h ASP 217 CO 0.16 0.92 0.00 -0.29 -1.72 0.00 0.00 179.24 178.31 1pa6 h ILE 218 N 0.55 0.00 0.24 0.35 2.10 -1.60 0.12 117.51 119.27 1pa6 h ILE 218 Ca 0.10 -0.17 -0.34 0.00 1.08 0.00 0.00 64.86 65.53 1pa6 h ILE 218 Cb 0.59 0.88 0.03 0.00 -1.09 0.00 0.00 36.82 37.23 1pa6 h ILE 218 CO 0.04 0.00 -1.54 0.15 -1.08 0.00 0.00 178.15 175.72 1pa6 h PHE 219 N 0.00 0.91 -0.09 2.19 3.57 -1.28 -3.20 116.94 119.03 1pa6 h PHE 219 Ca 0.00 -0.66 -0.19 0.00 3.53 0.00 0.00 57.97 60.65 1pa6 h PHE 219 Cb 0.23 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1pa6 h PHE 219 CO 0.00 1.59 -0.74 0.28 -2.23 0.00 0.00 178.31 177.22 1pa6 h VAL 220 N 0.12 1.37 0.00 1.41 2.07 -0.72 -1.08 116.25 119.41 1pa6 h VAL 220 Ca -0.28 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.12 1pa6 h VAL 220 Cb 2.14 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 1pa6 h VAL 220 CO 0.25 0.64 0.00 -0.61 0.02 0.00 0.00 177.57 177.87 1pa6 h GLN 221 N 0.30 0.00 -0.00 1.57 4.15 -0.89 -1.99 115.11 118.25 1pa6 h GLN 221 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1pa6 h GLN 221 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1pa6 h GLN 221 CO 0.13 0.00 -0.16 0.39 -1.93 0.00 0.00 178.83 177.26 1pa6 n GLU 222 N -2.45 3.95 -2.69 1.69 1.02 -1.09 -4.89 120.64 116.19 1pa6 n GLU 222 Ca -0.00 -0.22 -0.05 0.00 -0.02 0.00 0.00 57.16 56.88 1pa6 n GLU 222 Cb 0.14 -0.82 0.05 0.00 -0.02 0.00 0.00 31.44 30.79 1pa6 n GLU 222 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1pa6 n LYS 223 N -0.73 0.24 0.00 3.49 2.85 -0.43 -5.09 118.16 118.49 1pa6 n LYS 223 Ca 0.01 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.31 1pa6 n LYS 223 Cb 0.09 -0.37 0.00 0.00 -0.65 0.00 0.00 35.03 34.09 1pa6 n LYS 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76