#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iii n PRO 11 N 0.00 0.39 -4.19 0.00 -0.04 -1.26 -4.80 135.00 125.10 1iii n PRO 11 Ca 0.00 -0.10 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1iii n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.80 1iii n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1iii s LEU 12 N -2.67 1.31 0.03 1.53 2.96 -1.26 0.57 118.68 121.14 1iii s LEU 12 Ca 0.23 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1iii s LEU 12 Cb 0.20 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1iii s LEU 12 CO 0.51 -0.05 -0.05 -0.32 -1.32 0.00 0.00 176.35 175.12 1iii s MET 13 N 1.04 0.38 -0.04 1.98 -2.45 -0.05 -4.42 119.30 115.74 1iii s MET 13 Ca -0.09 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 1iii s MET 13 Cb -0.14 -0.04 -0.00 0.00 1.25 0.00 0.00 34.83 35.89 1iii s MET 13 CO -0.00 -0.01 -0.14 0.08 1.05 0.00 0.00 175.02 175.99 1iii s VAL 14 N -1.38 1.20 -0.06 10.11 1.01 -1.19 -0.75 120.40 129.33 1iii s VAL 14 Ca -0.13 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1iii s VAL 14 Cb -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1iii s VAL 14 CO -0.00 0.35 -0.07 -0.75 0.00 0.00 0.00 175.10 174.63 1iii s LYS 15 N 0.11 1.21 -0.09 2.72 2.47 -0.37 -1.57 119.74 124.23 1iii s LYS 15 Ca -0.04 -0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.19 1iii s LYS 15 Cb -0.11 -1.16 0.01 0.00 -1.46 0.00 0.00 37.83 35.12 1iii s LYS 15 CO 0.02 -0.09 -0.17 0.08 0.16 0.00 0.00 175.35 175.34 1iii s VAL 16 N 1.05 1.55 0.15 4.02 1.01 0.00 -0.95 120.40 127.23 1iii s VAL 16 Ca -0.08 -0.71 0.10 0.00 0.00 0.00 0.00 61.98 61.28 1iii s VAL 16 Cb -0.14 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1iii s VAL 16 CO -0.00 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1iii s LEU 17 N 0.61 2.63 -0.29 3.92 1.43 0.05 -0.77 118.68 126.26 1iii s LEU 17 Ca -0.15 -0.66 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 1iii s LEU 17 Cb -0.16 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1iii s LEU 17 CO 0.05 0.15 0.05 -0.62 0.23 0.00 0.00 176.35 176.21 1iii s ASP 18 N -2.37 4.94 0.48 2.29 -1.08 0.91 -1.11 116.67 120.72 1iii s ASP 18 Ca 0.19 -0.77 0.27 0.00 -0.52 0.00 0.00 52.55 51.72 1iii s ASP 18 Cb -0.10 -1.83 0.72 0.00 -1.46 0.00 0.00 42.92 40.26 1iii s ASP 18 CO 0.10 -0.18 1.75 0.00 0.52 0.00 0.00 175.17 177.36 1iii h ALA 19 N 8.18 1.00 0.06 3.66 0.00 -1.14 -0.94 119.26 130.08 1iii h ALA 19 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1iii h ALA 19 Cb 1.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1iii h ALA 19 CO 0.59 0.00 -0.45 0.28 0.00 0.00 0.00 179.25 179.67 1iii h VAL 20 N 0.00 1.61 -0.01 0.00 2.07 -1.94 -3.37 116.25 114.61 1iii h VAL 20 Ca 0.00 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1iii h VAL 20 Cb 0.82 3.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1iii h VAL 20 CO 0.00 0.64 -0.59 0.54 0.02 0.00 0.00 177.57 178.19 1iii n ARG 21 N -4.37 0.70 -3.11 1.57 1.74 -1.25 -4.99 116.66 106.95 1iii n ARG 21 Ca -0.13 -0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 56.26 1iii n ARG 21 Cb 0.65 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.67 1iii n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1iii n GLY 22 N 1.44 -0.50 3.61 -0.13 0.00 -0.38 -5.01 105.19 104.21 1iii n GLY 22 Ca 0.08 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1iii n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1iii s SER 23 N -3.80 -0.14 0.54 1.61 1.04 -1.08 -5.01 113.70 106.86 1iii s SER 23 Ca 0.17 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.60 1iii s SER 23 Cb -0.02 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.65 1iii s SER 23 CO 0.62 -1.15 1.20 -2.84 0.98 0.00 0.00 173.24 172.05 1iii s PRO 24 N -3.97 3.28 -0.51 4.02 0.02 -1.26 -0.06 135.00 136.51 1iii s PRO 24 Ca 0.18 1.82 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 1iii s PRO 24 Cb -0.01 -2.11 0.04 0.00 0.02 0.00 0.00 34.50 32.43 1iii s PRO 24 CO 0.06 -0.96 0.79 0.00 -0.33 0.00 0.00 177.00 176.56 1iii s ALA 25 N -1.58 3.27 0.05 -1.55 0.00 0.05 -4.60 121.76 117.40 1iii s ALA 25 Ca 0.72 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 1iii s ALA 25 Cb -0.30 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.23 1iii s ALA 25 CO 0.34 -2.13 0.41 0.42 0.00 0.00 0.00 175.76 174.80 1iii s ILE 26 N 3.32 5.05 -1.45 0.00 1.01 -1.26 -4.33 121.20 123.55 1iii s ILE 26 Ca 0.25 0.64 -0.05 0.00 0.00 0.00 0.00 60.65 61.49 1iii s ILE 26 Cb -0.15 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1iii s ILE 26 CO 0.18 0.41 0.63 -3.20 0.00 0.00 0.00 174.94 172.96 1iii n ASN 27 N 1.29 -5.90 -4.71 3.58 5.15 -0.03 -4.94 115.26 109.70 1iii n ASN 27 Ca -0.10 -0.29 -0.39 0.00 -0.60 0.00 0.00 54.58 53.19 1iii n ASN 27 Cb 0.52 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 35.02 1iii n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1iii s VAL 28 N -3.16 5.11 0.19 3.44 1.01 -1.26 -4.74 120.40 120.99 1iii s VAL 28 Ca 0.31 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 63.19 1iii s VAL 28 Cb -0.14 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1iii s VAL 28 CO 0.39 0.27 1.14 0.00 0.00 0.00 0.00 175.10 176.90 1iii s ALA 29 N 0.84 3.40 -0.07 5.51 0.00 -1.26 -1.48 121.76 128.71 1iii s ALA 29 Ca 0.31 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1iii s ALA 29 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.60 1iii s ALA 29 CO 0.14 -0.28 -0.05 0.08 0.00 0.00 0.00 175.76 175.64 1iii s VAL 30 N -0.20 0.67 -0.07 0.00 1.01 0.04 -1.61 120.40 120.24 1iii s VAL 30 Ca 0.51 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1iii s VAL 30 Cb -0.31 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1iii s VAL 30 CO 0.36 0.28 -0.21 -1.00 0.00 0.00 0.00 175.10 174.53 1iii s HIS 31 N 1.28 2.56 -0.07 5.22 3.76 0.11 -1.55 115.29 126.60 1iii s HIS 31 Ca -0.05 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 1iii s HIS 31 Cb -0.14 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1iii s HIS 31 CO -0.02 -0.16 -0.13 0.08 -0.85 0.00 0.00 174.74 173.66 1iii s VAL 32 N -0.12 3.19 0.12 -0.90 1.01 0.13 0.15 120.40 123.97 1iii s VAL 32 Ca -0.04 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1iii s VAL 32 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1iii s VAL 32 CO 0.04 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.20 1iii s PHE 33 N -0.55 1.50 -0.05 5.22 0.08 0.39 -0.68 117.98 123.89 1iii s PHE 33 Ca 0.08 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.68 1iii s PHE 33 Cb -0.12 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 1iii s PHE 33 CO 0.02 0.17 -0.21 0.50 -0.10 0.00 0.00 175.22 175.60 1iii s ARG 34 N -2.38 2.47 -0.04 0.44 3.52 0.14 -1.12 118.95 121.97 1iii s ARG 34 Ca 0.07 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1iii s ARG 34 Cb -0.07 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 1iii s ARG 34 CO 0.04 0.50 1.32 0.21 -0.81 0.00 0.00 175.30 176.56 1iii s LYS 35 N -0.45 4.30 0.43 5.12 2.20 -0.27 -1.44 119.74 129.63 1iii s LYS 35 Ca 0.05 1.83 -0.05 0.00 -0.36 0.00 0.00 55.97 57.44 1iii s LYS 35 Cb -0.12 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1iii s LYS 35 CO 0.01 -0.56 0.73 0.00 -0.36 0.00 0.00 175.35 175.17 1iii s ALA 36 N 2.54 3.46 0.53 3.13 0.00 -0.52 -4.78 121.76 126.12 1iii s ALA 36 Ca 0.60 -0.54 0.37 0.00 0.00 0.00 0.00 51.96 52.40 1iii s ALA 36 Cb -0.28 -2.50 1.54 0.00 0.00 0.00 0.00 23.12 21.88 1iii s ALA 36 CO 0.23 -0.21 1.76 0.00 0.00 0.00 0.00 175.76 177.54 1iii h ALA 37 N 0.56 3.15 -0.36 0.00 0.00 -1.95 0.61 119.26 121.27 1iii h ALA 37 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1iii h ALA 37 Cb 1.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1iii h ALA 37 CO 0.62 -1.55 0.00 -0.40 0.00 0.00 0.00 179.25 177.92 1iii n ASP 38 N -4.20 2.31 -0.15 0.00 5.68 -1.26 -4.92 116.55 114.00 1iii n ASP 38 Ca 0.29 -2.10 -0.02 0.00 -0.50 0.00 0.00 54.79 52.46 1iii n ASP 38 Cb 1.35 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 41.00 1iii n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1iii n ASP 39 N 0.54 -4.42 -4.95 -1.12 9.92 0.21 -5.02 116.55 111.71 1iii n ASP 39 Ca 0.13 0.05 -0.23 0.00 -0.53 0.00 0.00 54.79 54.21 1iii n ASP 39 Cb 0.40 -2.10 -0.00 0.00 -0.64 0.00 0.00 41.12 38.78 1iii n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iii s THR 40 N -1.68 4.65 -0.31 -3.53 -4.23 -1.26 -4.84 115.64 104.44 1iii s THR 40 Ca 0.00 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.79 1iii s THR 40 Cb 0.00 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1iii s THR 40 CO 0.00 -0.44 0.52 0.26 -0.54 0.00 0.00 174.62 174.42 1iii s TRP 41 N -2.37 3.22 -0.23 3.99 0.52 -1.26 -1.44 118.94 121.36 1iii s TRP 41 Ca 0.43 0.41 -0.10 0.00 0.02 0.00 0.00 56.10 56.86 1iii s TRP 41 Cb -0.10 -2.83 -0.05 0.00 -1.15 0.00 0.00 33.47 29.34 1iii s TRP 41 CO 0.36 -0.42 0.14 -2.00 0.02 0.00 0.00 176.95 175.05 1iii s GLU 42 N 2.37 4.02 0.29 4.98 2.12 -0.52 -4.91 118.70 127.05 1iii s GLU 42 Ca 0.20 -0.30 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 1iii s GLU 42 Cb -0.15 -3.49 -0.14 0.00 0.26 0.00 0.00 34.13 30.61 1iii s GLU 42 CO 0.11 0.06 1.12 -2.30 -0.54 0.00 0.00 175.26 173.71 1iii n PRO 43 N 4.27 1.58 0.00 4.30 -0.02 -1.26 -0.69 135.00 143.18 1iii n PRO 43 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1iii n PRO 43 Cb 0.52 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1iii n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iii n PHE 44 N 0.47 0.00 -3.52 6.00 7.35 0.14 -4.75 117.46 123.16 1iii n PHE 44 Ca 0.09 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 1iii n PHE 44 Cb 0.32 0.07 -0.03 0.00 0.35 0.00 0.00 39.48 40.19 1iii n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1iii s ALA 45 N -1.73 -1.82 0.23 3.13 0.00 -1.05 -5.01 121.76 115.51 1iii s ALA 45 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 1iii s ALA 45 Cb 0.00 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.25 1iii s ALA 45 CO 0.00 -0.56 0.53 -1.54 0.00 0.00 0.00 175.76 174.19 1iii s SER 46 N -1.99 -0.18 0.00 0.00 1.04 -1.26 0.18 113.70 111.49 1iii s SER 46 Ca 0.01 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1iii s SER 46 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1iii s SER 46 CO -0.04 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1iii n GLY 47 N -0.37 -1.46 3.22 7.32 0.00 -0.59 -5.01 105.19 108.29 1iii n GLY 47 Ca -0.06 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1iii n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iii s LYS 48 N -1.68 1.68 0.54 1.61 1.02 -1.26 -0.78 119.74 120.88 1iii s LYS 48 Ca 0.00 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.04 1iii s LYS 48 Cb 0.00 -1.63 -0.05 0.00 -0.52 0.00 0.00 37.83 35.64 1iii s LYS 48 CO 0.00 0.45 1.26 0.95 -0.92 0.00 0.00 175.35 177.09 1iii s THR 49 N -0.49 2.50 0.36 2.17 -4.23 -0.55 -4.82 115.64 110.59 1iii s THR 49 Ca 0.08 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1iii s THR 49 Cb -0.08 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.67 1iii s THR 49 CO -0.01 -0.03 0.49 -1.54 -0.54 0.00 0.00 174.62 172.99 1iii n SER 50 N -1.11 0.36 0.00 3.99 3.41 -0.47 -0.85 113.62 118.96 1iii n SER 50 Ca 0.11 -1.38 0.03 0.00 -0.26 0.00 0.00 58.87 57.37 1iii n SER 50 Cb 0.47 -0.34 0.12 0.00 -0.26 0.00 0.00 64.21 64.20 1iii n SER 50 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1iii n GLU 51 N -1.97 0.01 -0.07 4.33 0.28 -1.26 0.32 120.64 122.27 1iii n GLU 51 Ca 0.07 0.39 0.11 0.00 -0.16 0.00 0.00 57.16 57.57 1iii n GLU 51 Cb 0.25 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 31.76 1iii n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1iii n SER 52 N -1.47 3.10 -0.51 -1.84 3.41 -1.26 -4.86 113.62 110.19 1iii n SER 52 Ca 0.01 -1.96 -0.07 0.00 -0.26 0.00 0.00 58.87 56.60 1iii n SER 52 Cb 0.06 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1iii n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iii n GLY 53 N 1.34 0.87 3.59 5.00 0.00 0.15 -4.80 105.19 111.34 1iii n GLY 53 Ca 0.15 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1iii n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iii s GLU 54 N -2.29 2.14 -0.28 1.61 2.02 -1.26 -0.82 118.70 119.81 1iii s GLU 54 Ca 0.00 -1.11 -0.00 0.00 0.02 0.00 0.00 54.97 53.88 1iii s GLU 54 Cb 0.00 -2.27 0.09 0.00 0.10 0.00 0.00 34.13 32.05 1iii s GLU 54 CO 0.00 0.48 0.06 -1.17 0.02 0.00 0.00 175.26 174.65 1iii s LEU 55 N -2.49 2.37 0.34 1.80 2.96 -0.61 -1.37 118.68 121.69 1iii s LEU 55 Ca 0.23 -1.50 0.07 0.00 -0.22 0.00 0.00 54.13 52.71 1iii s LEU 55 Cb -0.10 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 1iii s LEU 55 CO 0.15 -0.37 0.37 -1.00 -1.32 0.00 0.00 176.35 174.18 1iii s HIS 56 N 1.55 2.97 -0.93 5.38 3.76 -1.26 -3.18 115.29 123.59 1iii s HIS 56 Ca 0.06 -0.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 1iii s HIS 56 Cb -0.18 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1iii s HIS 56 CO -0.18 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1iii n GLY 57 N -1.49 0.21 0.23 -2.22 0.00 -1.26 -4.92 105.19 95.73 1iii n GLY 57 Ca -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1iii n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1iii h LEU 58 N 0.00 0.43 0.00 0.99 3.38 -1.84 -3.47 115.31 114.80 1iii h LEU 58 Ca -0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1iii h LEU 58 Cb 1.07 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1iii h LEU 58 CO 0.29 0.68 0.21 1.07 0.09 0.00 0.00 178.44 180.78 1iii n THR 59 N -4.12 0.00 -4.43 0.22 5.66 -1.26 -4.79 114.28 105.55 1iii n THR 59 Ca -0.01 -0.75 -0.21 0.00 -3.05 0.00 0.00 64.05 60.04 1iii n THR 59 Cb 0.40 0.74 -0.10 0.00 -1.55 0.00 0.00 70.33 69.82 1iii n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1iii s THR 60 N -2.32 1.59 0.27 1.09 -4.23 -1.26 -4.50 115.64 106.27 1iii s THR 60 Ca 0.12 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1iii s THR 60 Cb -0.04 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.56 1iii s THR 60 CO 0.09 -0.26 1.81 -0.33 -0.54 0.00 0.00 174.62 175.40 1iii h GLU 61 N 2.25 0.84 -0.46 3.99 5.08 -1.97 -1.47 114.58 122.84 1iii h GLU 61 Ca -0.40 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1iii h GLU 61 Cb 1.23 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1iii h GLU 61 CO 0.68 0.56 0.13 0.93 -1.00 0.00 0.00 179.01 180.30 1iii h GLU 62 N 0.87 0.73 0.00 2.33 4.39 -2.05 -3.18 114.58 117.67 1iii h GLU 62 Ca 0.46 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 1iii h GLU 62 Cb 0.49 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1iii h GLU 62 CO -0.28 0.71 -0.51 0.93 -1.16 0.00 0.00 179.01 178.70 1iii h GLU 63 N 0.61 0.00 -3.82 2.33 4.39 -1.92 -3.40 114.58 112.77 1iii h GLU 63 Ca 0.15 0.00 -0.74 0.00 0.34 0.00 0.00 59.36 59.11 1iii h GLU 63 Cb 0.30 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.83 1iii h GLU 63 CO -0.00 0.00 2.30 0.34 -1.16 0.00 0.00 179.01 180.49 1iii n PHE 64 N -2.88 3.32 -2.36 4.33 7.35 -0.58 -4.97 117.46 121.66 1iii n PHE 64 Ca 0.02 -2.88 -0.27 0.00 -0.76 0.00 0.00 57.45 53.55 1iii n PHE 64 Cb 0.54 -2.16 0.03 0.00 0.35 0.00 0.00 39.48 38.24 1iii n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1iii s VAL 65 N 1.41 3.71 0.41 -2.13 -7.23 -1.26 -4.95 120.40 110.34 1iii s VAL 65 Ca 0.42 0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.40 1iii s VAL 65 Cb 0.10 -3.48 -0.11 0.00 0.56 0.00 0.00 36.38 33.45 1iii s VAL 65 CO -0.02 -0.50 1.06 -0.62 -0.31 0.00 0.00 175.10 174.71 1iii n GLU 66 N -2.61 1.47 -3.97 4.82 1.02 -1.26 -4.89 120.64 115.23 1iii n GLU 66 Ca 0.05 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1iii n GLU 66 Cb 0.57 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1iii n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iii n GLY 67 N 1.11 -1.44 3.44 0.62 0.00 -1.16 -4.98 105.19 102.78 1iii n GLY 67 Ca 0.09 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1iii n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iii s ILE 68 N -2.97 3.74 0.12 -0.61 1.01 -1.26 -0.73 121.20 120.49 1iii s ILE 68 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.35 1iii s ILE 68 Cb 0.00 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1iii s ILE 68 CO 0.00 0.47 -0.26 -0.31 0.00 0.00 0.00 174.94 174.84 1iii s TYR 69 N 0.69 2.23 -0.08 3.97 1.51 0.18 -1.12 117.35 124.74 1iii s TYR 69 Ca -0.02 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 1iii s TYR 69 Cb -0.14 -1.22 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1iii s TYR 69 CO 0.02 0.30 -0.18 0.21 -1.11 0.00 0.00 175.55 174.79 1iii s LYS 70 N -1.96 2.34 -0.22 -0.62 2.20 -0.28 -1.37 119.74 119.85 1iii s LYS 70 Ca 0.13 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1iii s LYS 70 Cb -0.10 -1.84 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1iii s LYS 70 CO 0.05 0.11 -0.03 0.08 -0.36 0.00 0.00 175.35 175.21 1iii s VAL 71 N 0.48 3.56 -0.18 4.02 1.01 0.10 -0.47 120.40 128.92 1iii s VAL 71 Ca -0.16 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1iii s VAL 71 Cb -0.17 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1iii s VAL 71 CO 0.06 0.42 -0.07 -0.70 0.00 0.00 0.00 175.10 174.80 1iii s GLU 72 N 1.39 3.40 -0.23 2.72 2.12 0.12 -0.73 118.70 127.49 1iii s GLU 72 Ca 0.05 -0.64 -0.04 0.00 0.36 0.00 0.00 54.97 54.70 1iii s GLU 72 Cb -0.14 -2.87 -0.00 0.00 0.26 0.00 0.00 34.13 31.37 1iii s GLU 72 CO -0.01 -0.03 -0.03 0.42 -0.54 0.00 0.00 175.26 175.07 1iii s ILE 73 N 1.01 3.40 -1.27 -3.70 1.01 0.23 -0.71 121.20 121.16 1iii s ILE 73 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 1iii s ILE 73 Cb -0.15 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1iii s ILE 73 CO -0.00 0.37 1.90 -0.67 0.00 0.00 0.00 174.94 176.53 1iii n ASP 74 N 4.79 4.18 0.16 3.58 2.03 -0.63 -1.12 116.55 129.54 1iii n ASP 74 Ca -0.18 -2.84 0.01 0.00 0.52 0.00 0.00 54.79 52.30 1iii n ASP 74 Cb 0.50 -1.68 0.24 0.00 -0.72 0.00 0.00 41.12 39.47 1iii n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1iii h THR 75 N 5.23 1.27 0.01 5.18 1.35 -1.88 -3.26 112.91 120.81 1iii h THR 75 Ca 0.43 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.45 1iii h THR 75 Cb 0.81 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1iii h THR 75 CO 1.56 0.51 -0.01 0.50 -0.25 0.00 0.00 175.52 177.83 1iii h LYS 76 N 0.00 -0.01 -0.37 4.72 3.64 -1.74 -1.96 116.57 120.85 1iii h LYS 76 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1iii h LYS 76 Cb 0.98 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1iii h LYS 76 CO 0.07 -0.01 0.18 0.77 -2.27 0.00 0.00 179.45 178.19 1iii h SER 77 N -0.01 0.45 0.07 4.20 0.02 -1.87 -1.55 113.55 114.85 1iii h SER 77 Ca -0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1iii h SER 77 Cb 0.01 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1iii h SER 77 CO 0.00 0.38 -0.03 0.22 -1.14 0.00 0.00 176.83 176.26 1iii h TYR 78 N 0.51 -0.09 -0.37 3.45 3.20 -1.45 -1.92 116.97 120.30 1iii h TYR 78 Ca 0.13 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1iii h TYR 78 Cb 0.05 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1iii h TYR 78 CO 0.00 0.09 -0.18 -1.49 -1.64 0.00 0.00 178.16 174.94 1iii h TRP 79 N -0.25 0.77 -0.96 -3.82 4.06 -1.14 -2.74 115.95 111.86 1iii h TRP 79 Ca -0.01 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 60.82 1iii h TRP 79 Cb 0.22 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 1iii h TRP 79 CO -0.02 0.82 0.63 0.87 -3.56 0.00 0.00 178.44 177.18 1iii h LYS 80 N 0.62 1.18 0.00 0.49 1.57 -1.20 -0.79 116.57 118.43 1iii h LYS 80 Ca 0.10 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1iii h LYS 80 Cb 0.65 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1iii h LYS 80 CO 0.05 0.78 -0.14 0.00 -0.57 0.00 0.00 179.45 179.57 1iii h ALA 81 N 1.39 1.61 -0.02 3.86 0.00 -1.04 -2.14 119.26 122.92 1iii h ALA 81 Ca 0.38 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1iii h ALA 81 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1iii h ALA 81 CO -0.12 0.18 -0.06 1.28 0.00 0.00 0.00 179.25 180.52 1iii n LEU 82 N -4.14 1.86 -0.71 0.00 4.77 -0.39 -4.94 117.00 113.46 1iii n LEU 82 Ca -0.02 -0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 55.27 1iii n LEU 82 Cb 0.22 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1iii n LEU 82 CO 0.34 0.32 -0.08 0.61 -1.33 0.00 0.00 177.39 177.24 1iii n GLY 83 N 1.26 0.39 3.33 -0.72 0.00 -0.77 -5.03 105.19 103.64 1iii n GLY 83 Ca 0.16 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 1iii n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iii s ILE 84 N -2.32 2.81 -0.23 -0.61 1.01 -0.71 -5.03 121.20 116.12 1iii s ILE 84 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1iii s ILE 84 Cb 0.00 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1iii s ILE 84 CO 0.00 0.53 1.32 -0.55 0.00 0.00 0.00 174.94 176.24 1iii s SER 85 N 0.38 6.76 0.23 3.58 0.15 -1.26 -3.94 113.70 119.60 1iii s SER 85 Ca -0.12 1.47 0.03 0.00 0.70 0.00 0.00 55.95 58.03 1iii s SER 85 Cb -0.16 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1iii s SER 85 CO 0.06 -0.96 0.38 -2.16 1.20 0.00 0.00 173.24 171.76 1iii s PRO 86 N 3.93 3.45 -0.16 5.44 0.04 -1.26 -4.83 135.00 141.61 1iii s PRO 86 Ca 0.57 -0.62 -0.24 0.00 0.04 0.00 0.00 61.00 60.75 1iii s PRO 86 Cb -0.20 -2.87 -0.23 0.00 0.04 0.00 0.00 34.50 31.24 1iii s PRO 86 CO 0.20 0.40 0.51 0.35 0.04 0.00 0.00 177.00 178.50 1iii h PHE 87 N 1.38 0.08 -3.69 0.56 3.57 -1.36 -3.48 116.94 113.99 1iii h PHE 87 Ca -0.51 -0.06 -0.50 0.00 3.53 0.00 0.00 57.97 60.44 1iii h PHE 87 Cb 1.22 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 1iii h PHE 87 CO 0.48 1.29 0.17 -1.01 -2.23 0.00 0.00 178.31 177.02 1iii s HIS 88 N -2.32 3.59 0.16 0.41 3.76 -1.26 -4.98 115.29 114.64 1iii s HIS 88 Ca -0.23 1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 56.03 1iii s HIS 88 Cb 0.02 -2.68 0.00 0.00 1.11 0.00 0.00 32.58 31.03 1iii s HIS 88 CO 0.66 0.24 1.55 0.93 -0.85 0.00 0.00 174.74 177.27 1iii h GLU 89 N 3.06 0.98 -2.36 1.40 4.39 -1.98 -3.38 114.58 116.70 1iii h GLU 89 Ca -0.48 -0.41 0.17 0.00 0.34 0.00 0.00 59.36 58.99 1iii h GLU 89 Cb 1.19 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.72 1iii h GLU 89 CO 0.65 1.09 0.48 -3.38 -1.16 0.00 0.00 179.01 176.68 1iii s HIS 90 N -4.70 -0.13 -0.13 4.33 -3.43 -1.26 -3.69 115.29 106.28 1iii s HIS 90 Ca -0.12 -0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 53.92 1iii s HIS 90 Cb 0.12 0.64 -0.03 0.00 -1.43 0.00 0.00 32.58 31.88 1iii s HIS 90 CO 0.87 -0.85 0.01 0.00 -2.00 0.00 0.00 174.74 172.77 1iii s ALA 91 N -3.28 3.24 -0.04 -1.38 0.00 -0.27 -4.90 121.76 115.12 1iii s ALA 91 Ca 0.12 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.35 1iii s ALA 91 Cb -0.02 -1.61 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1iii s ALA 91 CO 0.03 0.38 -0.23 -1.21 0.00 0.00 0.00 175.76 174.73 1iii s GLU 92 N -0.23 2.23 -0.13 0.00 2.02 -1.26 -0.61 118.70 120.72 1iii s GLU 92 Ca 0.06 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 1iii s GLU 92 Cb -0.12 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.17 1iii s GLU 92 CO 0.02 0.40 -0.10 0.08 0.02 0.00 0.00 175.26 175.68 1iii s VAL 93 N -0.25 1.24 -0.12 2.63 1.01 0.09 -4.98 120.40 120.03 1iii s VAL 93 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1iii s VAL 93 Cb -0.12 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1iii s VAL 93 CO 0.02 0.37 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 1iii s VAL 94 N 1.62 2.01 0.19 2.92 1.01 -1.26 0.01 120.40 126.90 1iii s VAL 94 Ca 0.04 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1iii s VAL 94 Cb -0.13 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1iii s VAL 94 CO -0.09 0.54 0.42 0.72 0.00 0.00 0.00 175.10 176.70 1iii s PHE 95 N 0.62 0.13 -0.18 5.22 -0.71 -0.47 -5.00 117.98 117.59 1iii s PHE 95 Ca -0.12 -0.49 -0.08 0.00 -1.04 0.00 0.00 56.93 55.20 1iii s PHE 95 Cb -0.17 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1iii s PHE 95 CO 0.03 -0.85 0.09 0.99 -1.34 0.00 0.00 175.22 174.14 1iii s THR 96 N -3.93 5.08 -0.06 -4.49 2.01 -1.26 -0.64 115.64 112.35 1iii s THR 96 Ca 0.14 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.01 1iii s THR 96 Cb 0.01 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.18 1iii s THR 96 CO -0.00 0.47 0.53 0.00 -0.69 0.00 0.00 174.62 174.92 1iii s ALA 97 N 0.24 3.49 0.19 7.40 0.00 0.09 -4.97 121.76 128.20 1iii s ALA 97 Ca 0.06 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.02 1iii s ALA 97 Cb -0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1iii s ALA 97 CO -0.01 0.11 -0.18 -0.80 0.00 0.00 0.00 175.76 174.88 1iii s ASN 98 N 0.15 2.81 -0.11 0.00 0.01 -1.26 -3.00 114.94 113.54 1iii s ASN 98 Ca 0.28 -0.91 0.17 0.00 -0.71 0.00 0.00 52.86 51.69 1iii s ASN 98 Cb -0.17 -0.18 0.68 0.00 0.41 0.00 0.00 41.25 42.00 1iii s ASN 98 CO 0.14 -0.04 1.58 0.47 -1.51 0.00 0.00 177.10 177.73 1iii n ASP 99 N 0.07 4.52 -3.54 -1.22 8.00 -1.26 -4.83 116.55 118.29 1iii n ASP 99 Ca -0.11 -2.43 -0.09 0.00 0.71 0.00 0.00 54.79 52.87 1iii n ASP 99 Cb 0.58 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1iii n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1iii n SER 100 N 1.04 -0.09 0.00 -2.24 7.64 -1.26 -4.40 113.62 114.32 1iii n SER 100 Ca 0.24 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1iii n SER 100 Cb 0.85 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1iii n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iii n GLY 101 N 3.62 -0.49 3.75 0.23 0.00 -1.26 -4.93 105.19 106.12 1iii n GLY 101 Ca 0.10 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1iii n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1iii s PRO 102 N -1.40 4.50 -0.14 1.61 0.02 -1.26 -5.04 135.00 133.29 1iii s PRO 102 Ca 0.00 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1iii s PRO 102 Cb 0.00 -3.18 0.08 0.00 0.02 0.00 0.00 34.50 31.41 1iii s PRO 102 CO 0.00 -0.02 0.74 1.03 -0.33 0.00 0.00 177.00 178.41 1iii s ARG 103 N -0.95 0.93 -0.12 5.54 0.52 -1.26 -4.53 118.95 119.08 1iii s ARG 103 Ca 0.50 0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1iii s ARG 103 Cb -0.34 0.44 -0.03 0.00 0.52 0.00 0.00 34.95 35.54 1iii s ARG 103 CO 0.42 -0.24 -0.03 1.03 0.02 0.00 0.00 175.30 176.50 1iii s ARG 104 N -0.64 3.31 -0.16 3.54 1.81 -0.53 -4.84 118.95 121.43 1iii s ARG 104 Ca -0.06 -0.49 -0.03 0.00 -1.72 0.00 0.00 55.73 53.43 1iii s ARG 104 Cb -0.02 -2.83 -0.02 0.00 -0.45 0.00 0.00 34.95 31.63 1iii s ARG 104 CO 0.06 0.46 -0.04 0.71 -0.68 0.00 0.00 175.30 175.80 1iii s TYR 105 N -0.22 3.00 -0.19 -0.53 1.51 0.19 -2.20 117.35 118.92 1iii s TYR 105 Ca 0.04 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 1iii s TYR 105 Cb -0.13 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1iii s TYR 105 CO 0.02 -0.12 -0.17 0.99 -1.11 0.00 0.00 175.55 175.17 1iii s THR 106 N 0.51 2.34 -0.37 -0.71 2.01 -0.13 -0.87 115.64 118.42 1iii s THR 106 Ca -0.04 -0.85 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1iii s THR 106 Cb -0.14 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1iii s THR 106 CO 0.03 0.52 0.23 -0.63 -0.69 0.00 0.00 174.62 174.07 1iii s ILE 107 N 1.29 4.89 -0.02 1.82 -1.09 0.07 -0.87 121.20 127.28 1iii s ILE 107 Ca 0.04 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 1iii s ILE 107 Cb -0.13 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1iii s ILE 107 CO -0.10 -0.16 -0.03 0.00 -1.23 0.00 0.00 174.94 173.42 1iii s ALA 108 N 1.63 3.17 -0.00 9.38 0.00 -0.32 -1.23 121.76 134.38 1iii s ALA 108 Ca 0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1iii s ALA 108 Cb -0.18 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.64 1iii s ALA 108 CO 0.08 0.62 -0.03 0.00 0.00 0.00 0.00 175.76 176.43 1iii s ALA 109 N -0.98 0.27 -0.16 0.00 0.00 -0.12 -1.21 121.76 119.56 1iii s ALA 109 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.99 1iii s ALA 109 Cb -0.11 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1iii s ALA 109 CO 0.07 0.06 -0.18 -1.17 0.00 0.00 0.00 175.76 174.54 1iii s LEU 110 N -0.10 2.32 -0.11 0.00 2.96 0.08 -0.77 118.68 123.06 1iii s LEU 110 Ca 0.01 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1iii s LEU 110 Cb -0.01 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1iii s LEU 110 CO -0.00 0.07 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.20 1iii s LEU 111 N 0.92 2.69 0.22 -0.68 1.43 -0.27 -1.46 118.68 121.52 1iii s LEU 111 Ca -0.04 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1iii s LEU 111 Cb -0.15 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1iii s LEU 111 CO -0.03 0.20 -0.09 -0.44 0.23 0.00 0.00 176.35 176.23 1iii s SER 112 N 0.13 2.34 0.40 2.29 0.01 0.31 -0.60 113.70 118.57 1iii s SER 112 Ca -0.07 -1.10 0.08 0.00 1.31 0.00 0.00 55.95 56.17 1iii s SER 112 Cb -0.15 -0.09 0.84 0.00 0.21 0.00 0.00 66.02 66.83 1iii s SER 112 CO 0.05 -0.31 2.01 -0.65 0.41 0.00 0.00 173.24 174.75 1iii h PRO 113 N 2.51 0.59 -0.07 12.44 0.11 -1.98 -3.14 132.00 142.46 1iii h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1iii h PRO 113 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1iii h PRO 113 CO 0.64 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 1iii s SER 115 N -1.76 -0.61 0.03 0.00 0.15 -1.19 -4.95 113.70 105.36 1iii s SER 115 Ca 0.18 0.73 -0.15 0.00 0.70 0.00 0.00 55.95 57.42 1iii s SER 115 Cb 0.15 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 65.10 1iii s SER 115 CO 0.04 -0.54 0.32 -0.72 1.20 0.00 0.00 173.24 173.54 1iii s TYR 116 N -1.01 -0.15 0.07 3.44 -0.85 -1.26 -0.53 117.35 117.06 1iii s TYR 116 Ca -0.10 0.09 0.06 0.00 -0.52 0.00 0.00 57.07 56.61 1iii s TYR 116 Cb -0.01 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.41 1iii s TYR 116 CO 0.08 -0.48 -0.17 -1.54 -1.52 0.00 0.00 175.55 171.92 1iii s SER 117 N -1.85 2.07 0.01 -0.18 1.04 -0.54 -4.98 113.70 109.28 1iii s SER 117 Ca -0.07 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.79 1iii s SER 117 Cb -0.02 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1iii s SER 117 CO -0.01 0.04 -0.04 0.28 0.98 0.00 0.00 173.24 174.49 1iii s THR 118 N -1.03 0.29 0.01 2.02 -1.32 -1.26 -0.74 115.64 113.61 1iii s THR 118 Ca 0.03 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 1iii s THR 118 Cb -0.09 -0.32 -0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1iii s THR 118 CO 0.02 -0.16 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.36 1iii s THR 119 N -0.68 0.13 -0.21 5.08 2.01 -0.35 -5.00 115.64 116.61 1iii s THR 119 Ca -0.05 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.35 1iii s THR 119 Cb -0.05 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1iii s THR 119 CO -0.00 -0.25 0.09 0.00 -0.69 0.00 0.00 174.62 173.77 1iii s ALA 120 N -0.78 3.39 -0.31 7.40 0.00 -1.26 -1.17 121.76 129.03 1iii s ALA 120 Ca -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1iii s ALA 120 Cb -0.05 -2.06 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1iii s ALA 120 CO -0.00 -0.08 0.02 0.08 0.00 0.00 0.00 175.76 175.77 1iii s VAL 121 N 0.86 2.99 -0.27 0.00 1.01 -0.05 -4.99 120.40 119.95 1iii s VAL 121 Ca 0.05 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 60.55 1iii s VAL 121 Cb -0.13 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.52 1iii s VAL 121 CO 0.03 -0.17 -0.03 -0.69 0.00 0.00 0.00 175.10 174.24 1iii s VAL 122 N 1.23 2.93 0.36 2.92 1.01 -1.26 -0.96 120.40 126.63 1iii s VAL 122 Ca -0.04 -1.20 0.09 0.00 0.00 0.00 0.00 61.98 60.83 1iii s VAL 122 Cb -0.20 -2.58 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1iii s VAL 122 CO -0.01 0.05 -0.06 0.42 0.00 0.00 0.00 175.10 175.50 1iii s THR 123 N 1.29 2.24 -2.27 3.92 -4.23 -0.93 -4.97 115.64 110.68 1iii s THR 123 Ca -0.03 -2.13 0.18 0.00 -1.18 0.00 0.00 61.69 58.54 1iii s THR 123 Cb -0.18 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.06 1iii s THR 123 CO -0.03 -0.16 1.08 -3.20 -0.54 0.00 0.00 174.62 171.77